A0A077Z5N1_TRITR Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A077Z5N1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 578 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	36.8	Very low	37	Very low	247 Å²	247	207.6 Å²	207.6	100%	1.217	91%	0.912	S	S	*	*				0	122.8	0	-76.3	176	-142.4	0	0	108.9
2	R	35.2	Very low	37.5	Very low	243 Å²	243	207.8 Å²	207.8	92%	0.917	90%	0.902	S	S	*	*			trans	13.8	111.6	169.8	-64.9	177.7	177.4	176.6	-0.8	118
3	F	35.6	Very low	38.1	Very low	212 Å²	212	203.8 Å²	203.8	93%	0.93	89%	0.885	S	S	*	*				-171.8	89.3	124.9	-111.5	-81.3	0	0	0	109.6
4	C	33.9	Very low	38.7	Very low	128 Å²	128	194 Å²	194	87%	0.865	86%	0.861	S	S	*	*			trans	-119.5	101.5	171.4	-147.3	0	0	0	0	106.7
5	R	33.2	Very low	39.4	Very low	235 Å²	235	186.4 Å²	186.4	89%	0.887	84%	0.836	S	S	*	*			trans	169.1	97	162.7	-99.8	171.2	-175.1	-163.8	2.1	108.8
6	R	35.6	Very low	39.8	Very low	253 Å²	253	184.8 Å²	184.8	96%	0.955	83%	0.828	S	S	*	*			trans	179.8	68	152.3	-100.1	167.3	-165.2	-154.7	6	109.7
7	L	36.5	Very low	40.3	Very low	167 Å²	167	180.8 Å²	180.8	87%	0.874	82%	0.815	S	S	*	*	S	Bend	trans	-143.2	39.7	171.5	-116.7	145.2	0	0	0	110.6
8	F	38.2	Very low	40.6	Very low	202 Å²	202	178.1 Å²	178.1	89%	0.886	81%	0.809	S	S	*	*	S	Bend	trans	-154.6	60.2	176.5	-103.4	-82.9	0	0	0	110
9	H	37.9	Very low	40.9	Very low	159 Å²	159	174.3 Å²	174.3	74%	0.736	80%	0.795	S	S	*	*	S	Bend	trans	-155.1	3.6	167.5	-113	-61.9	0	0	0	117.3
10	R	42.1	Very low	41.3	Very low	244 Å²	244	168.5 Å²	168.5	92%	0.921	78%	0.776	S	S	*	*	S	Bend	trans	-102.6	2.3	-178.1	-101.4	-176.4	174.2	-175.2	-1.9	116.6
11	K	42.3	Very low	41.7	Very low	194 Å²	194	167.5 Å²	167.5	84%	0.843	77%	0.77	S	S	*	*	S	Bend	trans	-111.9	6.9	176.6	-80.8	-170.5	175	-176.6	0	115.5	T15	K11-T15 PolarHBondContact O-OG1 3.34Å
12	R	43.1	Very low	42.2	Very low	209 Å²	209	158.4 Å²	158.4	79%	0.789	73%	0.73	S	S	*	*	S	Bend	trans	-111	-7.5	177	-80.4	-172.7	167.2	179.9	-3.3	115.5
13	F	45.3	Very low	42.6	Very low	157 Å²	157	152.2 Å²	152.2	69%	0.689	72%	0.715	S	S	*	*	S	Bend	trans	-92.3	-25.8	176.3	-112.5	-92.9	0	0	0	113.5
14	A	46.2	Very low	43.1	Very low	66 Å²	66	146.5 Å²	146.5	55%	0.545	70%	0.697	S	S	.	*	H	α-helix	trans	-76	-24.5	176.6	0	0	0	0	0	113
15	T	48.3	Very low	43.7	Very low	80 Å²	80	145.1 Å²	145.1	49%	0.491	68%	0.68	S	S	.	*	H	α-helix	trans	-84	-21.7	178.1	1.8	0	0	0	0	113.1	K11 L19	K11-T15 PolarHBondContact O-OG1 3.34Å; T15-L19 PolarHBondContact O-N 2.75Å
16	F	47	Very low	44.3	Very low	161 Å²	161	138.2 Å²	138.2	71%	0.706	66%	0.664	S	S	*	*	H	α-helix	trans	-81.4	-28.7	177.1	-118	-92.6	0	0	0	113.2	S20	F16-S20 PolarHBondContact O-N 2.86Å; F16-S20 VanDerWaalsContact O-N 3.13Å; F16-S20 PolarHBondContact O-OG 3Å
17	L	47.6	Very low	44.7	Very low	117 Å²	117	129.8 Å²	129.8	61%	0.613	64%	0.64	S	S	*	*	H	α-helix	trans	-77.7	-25.1	176.8	-91	152.4	0	0	0	113.7	S20 F21	L17-S20 PolarHBondContact O-OG 2.99Å; L17-F21 PolarHBondContact O-N 3.38Å
18	L	46.3	Very low	44.9	Very low	132 Å²	132	128.8 Å²	128.8	69%	0.691	63%	0.631	S	S	*	*	H	α-helix	trans	-83.6	-26.8	174.3	-82.4	158.9	0	0	0	112.8	S22	L18-S22 PolarHBondContact O-N 2.7Å; L18-S22 PolarHBondContact O-OG 3Å
19	L	46.2	Very low	44.9	Very low	106 Å²	106	128.9 Å²	128.9	56%	0.555	63%	0.625	S	S	*	*	H	α-helix	trans	-80.4	-30.3	173.8	-88.3	155.7	0	0	0	112.9	T15 S22 L23	T15-L19 PolarHBondContact O-N 2.75Å; L19-S22 WeakPolarHBondContact CA-OG 3.19Å; L19-S22 PolarHBondContact O-OG 3.49Å; L19-L23 PolarHBondContact O-N 3.16Å; L19-L23 VanDerWaalsContact O-N 3.16Å
20	S	49.2	Very low	44.9	Very low	58 Å²	58	124.6 Å²	124.6	41%	0.406	61%	0.614	S	S	.	*	H	α-helix	trans	-71.5	-33.4	171.9	67.5	0	0	0	0	112.2	F16 L17 T24	F16-S20 PolarHBondContact O-N 2.86Å; F16-S20 VanDerWaalsContact O-N 3.13Å; F16-S20 PolarHBondContact O-OG 3Å; L17-S20 PolarHBondContact O-OG 2.99Å; S20-T24 PolarHBondContact O-N 3.39Å; S20-T24 PolarHBondContact O-OG1 2.68Å
21	F	48.9	Very low	44.6	Very low	148 Å²	148	123.5 Å²	123.5	65%	0.649	61%	0.609	S	S	*	*	H	α-helix	trans	-76.1	-28.5	178.4	-128.7	-95.3	0	0	0	113.4	L17 I25	L17-F21 PolarHBondContact O-N 3.38Å; F21-I25 HydrophobicContact CD1-CD1 4.36Å; F21-I25 WeakPolarHBondContact O-CG1 3.22Å; F21-I25 PolarHBondContact O-N 2.91Å
22	S	47.8	Very low	44.4	Very low	55 Å²	55	123.1 Å²	123.1	39%	0.385	61%	0.608	S	S	.	*	H	α-helix	trans	-81.3	-28.7	176	40.2	0	0	0	0	112.9	L18 L19 V26	L18-S22 PolarHBondContact O-N 2.7Å; L18-S22 PolarHBondContact O-OG 3Å; L19-S22 WeakPolarHBondContact CA-OG 3.19Å; L19-S22 PolarHBondContact O-OG 3.49Å; S22-V26 VanDerWaalsContact O-CG2 3.3Å; S22-V26 WeakPolarHBondContact O-CG2 3.24Å; S22-V26 PolarHBondContact O-N 2.71Å; S22-V26 VanDerWaalsContact O-N 3.14Å
23	L	43.9	Very low	43.9	Very low	114 Å²	114	119.3 Å²	119.3	60%	0.597	61%	0.608	S	S	*	*	H	α-helix	trans	-73.4	-33.8	172.5	-124.9	83.5	0	0	0	113.1	L19 I25 V26 V27	L19-L23 PolarHBondContact O-N 3.16Å; L19-L23 VanDerWaalsContact O-N 3.16Å; L23-I25 VanDerWaalsContact C-N 3.33Å; L23-I25 PolarHBondContact O-N 2.87Å; L23-V26 PolarHBondContact O-N 3.29Å; L23-V27 WeakPolarHBondContact O-CB 3.43Å; L23-V27 VanDerWaalsContact O-CG2 3.31Å; L23-V27 WeakPolarHBondContact O-CG2 3.3Å; L23-V27 PolarHBondContact O-N 2.65Å
24	T	46	Very low	43.3	Very low	91 Å²	91	115.6 Å²	115.6	56%	0.558	61%	0.614	S	S	*	*	H	α-helix	trans	-70.2	-31.2	176.2	-28.7	0	0	0	0	112	S20 H28	S20-T24 PolarHBondContact O-N 3.39Å; S20-T24 PolarHBondContact O-OG1 2.68Å; T24-H28 WeakPolarHBondContact O-CB 3.31Å; T24-H28 PolarHBondContact O-N 3.3Å
25	I	47.2	Very low	42.7	Very low	99 Å²	99	123.4 Å²	123.4	51%	0.508	63%	0.629	S	S	.	*	H	α-helix	trans	-72.9	-33.2	173.6	-68.4	172.7	0	0	0	111.1	F21 L23 R29	F21-I25 HydrophobicContact CD1-CD1 4.36Å; F21-I25 WeakPolarHBondContact O-CG1 3.22Å; F21-I25 PolarHBondContact O-N 2.91Å; L23-I25 VanDerWaalsContact C-N 3.33Å; L23-I25 PolarHBondContact O-N 2.87Å; I25-R29 WeakPolarHBondContact O-CB 3.45Å; I25-R29 PolarHBondContact O-N 3.16Å
26	V	44.9	Very low	42.1	Very low	90 Å²	90	123.8 Å²	123.8	55%	0.545	64%	0.635	S	S	.	*	H	α-helix	trans	-77.3	-32.1	175.8	174	0	0	0	0	112.2	S22 L23 R29 S30	S22-V26 VanDerWaalsContact O-CG2 3.3Å; S22-V26 WeakPolarHBondContact O-CG2 3.24Å; S22-V26 PolarHBondContact O-N 2.71Å; S22-V26 VanDerWaalsContact O-N 3.14Å; L23-V26 PolarHBondContact O-N 3.29Å; V26-R29 PolarHBondContact O-N 3.14Å; V26-S30 PolarHBondContact O-N 3.07Å; V26-S30 VanDerWaalsContact O-N 3.07Å; V26-S30 PolarHBondContact O-OG 3.04Å
27	V	43.8	Very low	41.3	Very low	76 Å²	76	121.9 Å²	121.9	46%	0.461	64%	0.642	S	S	.	*	H	α-helix	trans	-77.9	-23.9	173.6	175.9	0	0	0	0	112.5	L23 S30	L23-V27 WeakPolarHBondContact O-CB 3.43Å; L23-V27 VanDerWaalsContact O-CG2 3.31Å; L23-V27 WeakPolarHBondContact O-CG2 3.3Å; L23-V27 PolarHBondContact O-N 2.65Å; V27-S30 WeakPolarHBondContact CA-OG 3.5Å
28	H	41.6	Very low	40.8	Very low	147 Å²	147	123.8 Å²	123.8	68%	0.681	65%	0.648	S	S	*	*	H	α-helix	trans	-80.2	-19.9	165.3	-103.5	43.4	0	0	0	114	T24	T24-H28 WeakPolarHBondContact O-CB 3.31Å; T24-H28 PolarHBondContact O-N 3.3Å
29	R	38.4	Very low	40.3	Very low	203 Å²	203	123 Å²	123	77%	0.766	65%	0.65	S	S	*	*	H	α-helix	trans	-85	-17.5	171.8	-103.5	-178.8	168.9	-179.1	-3.1	114.5	I25 V26	I25-R29 WeakPolarHBondContact O-CB 3.45Å; I25-R29 PolarHBondContact O-N 3.16Å; V26-R29 PolarHBondContact O-N 3.14Å
30	S	36.2	Very low	39.7	Very low	70 Å²	70	127.4 Å²	127.4	49%	0.49	67%	0.666	S	S	.	*	S	Bend	trans	-102.2	3.5	179.8	42.7	0	0	0	0	114.5	V26 V27	V26-S30 PolarHBondContact O-N 3.07Å; V26-S30 VanDerWaalsContact O-N 3.07Å; V26-S30 PolarHBondContact O-OG 3.04Å; V27-S30 WeakPolarHBondContact CA-OG 3.5Å
31	R	36.5	Very low	39.4	Very low	220 Å²	220	129.8 Å²	129.8	83%	0.83	67%	0.674	S	S	*	*	S	Bend	trans	-95.1	11.8	161.6	-82.8	-172	176	177.7	-0.1	114
32	F	37.7	Very low	38.7	Very low	186 Å²	186	128 Å²	128	82%	0.816	68%	0.68	S	S	*	*	S	Bend	trans	-118.7	24.1	174.2	-103.6	-83.5	0	0	0	112.7
33	V	33.2	Very low	38.3	Very low	129 Å²	129	134.6 Å²	134.6	78%	0.782	70%	0.696	S	S	*	*	S	Bend	trans	-127.6	98.7	172.9	-176.3	0	0	0	0	106.9
34	G	32.1	Very low	38.3	Very low	79 Å²	79	140.5 Å²	140.5	81%	0.814	71%	0.71	S	S	*	*			trans	146.1	26.3	-168.4	0	0	0	0	0	112.9
35	R	33.7	Very low	38.1	Very low	230 Å²	230	143.9 Å²	143.9	87%	0.868	72%	0.72	S	S	*	*			trans	-91.8	110.3	155.4	-149	170.1	-169.5	167.4	0.7	104.7	S37	R35-S37 PolarHBondContact O-N 2.98Å
36	S	35.7	Very low	38	Very low	88 Å²	88	148.9 Å²	148.9	62%	0.615	74%	0.738	S	S	*	*			trans	-36.2	131.3	167.2	40.1	0	0	0	0	109.4	E38	S36-E38 PolarHBondContact O-N 3.16Å
37	S	31.7	Very low	38.3	Very low	122 Å²	122	152.8 Å²	152.8	85%	0.853	75%	0.75	S	S	*	*			trans	-56.1	84	152.7	50.3	0	0	0	0	107	R35	R35-S37 PolarHBondContact O-N 2.98Å
38	E	35.8	Very low	39	Very low	156 Å²	156	154.4 Å²	154.4	73%	0.729	76%	0.763	S	S	*	*			trans	-55.6	136.1	155.8	-76.4	-174.3	168	0	0	106	S36 F40	S36-E38 PolarHBondContact O-N 3.16Å; E38-F40 PolarHBondContact O-N 2.81Å; E38-F40 VanDerWaalsContact O-N 3.16Å
39	P	36	Very low	40	Very low	116 Å²	116	157.2 Å²	157.2	75%	0.753	77%	0.773	S	S	*	*			trans	-53.1	131.6	174.3	-9.7	22.1	0	0	0	106.4	D41	P39-D41 PolarHBondContact O-N 3.03Å
40	F	34.5	Very low	41.9	Very low	199 Å²	199	153.5 Å²	153.5	87%	0.873	76%	0.764	S	S	*	*			trans	-56.8	93.1	164.6	-167.3	-93.8	0	0	0	105.6	E38 S42	E38-F40 PolarHBondContact O-N 2.81Å; E38-F40 VanDerWaalsContact O-N 3.16Å; F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 3.47Å
41	D	41.1	Very low	44.7	Very low	107 Å²	107	157.4 Å²	157.4	57%	0.572	78%	0.775	S	S	*	*			trans	-65.1	99.9	179	-171.5	-0.7	0	0	0	105.8	P39 R43	P39-D41 PolarHBondContact O-N 3.03Å; D41-R43 PolarHBondContact O-N 3.28Å; D41-R43 WeakPolarHBondContact OD1-CB 3.43Å; D41-R43 VanDerWaalsContact OD1-CG 3.24Å; D41-R43 WeakPolarHBondContact OD1-CG 3.39Å; D41-R43 PolarHBondContact OD1-N 3.47Å
42	S	36	Very low	47.5	Very low	111 Å²	111	151.1 Å²	151.1	78%	0.776	76%	0.757	S	S	*	*			trans	-66.9	10.4	174.1	54	0	0	0	0	112.1	F40 R44	F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 3.47Å; S42-R44 VanDerWaalsContact C-N 3.32Å; S42-R44 PolarHBondContact O-N 3.29Å
43	R	38.5	Very low	50.3	Low	193 Å²	193	145.7 Å²	145.7	73%	0.728	73%	0.733	S	S	*	*			trans	-88.6	70.2	158.8	-56.4	175.5	-163.4	-163.5	4.8	109.8	D41 E45	D41-R43 PolarHBondContact O-N 3.28Å; D41-R43 WeakPolarHBondContact OD1-CB 3.43Å; D41-R43 VanDerWaalsContact OD1-CG 3.24Å; D41-R43 WeakPolarHBondContact OD1-CG 3.39Å; D41-R43 PolarHBondContact OD1-N 3.47Å; R43-E45 PolarHBondContact O-N 3.42Å
44	R	43	Very low	53.4	Low	239 Å²	239	142.5 Å²	142.5	90%	0.902	71%	0.712	S	S	*	*			trans	-65.1	88.6	133.7	-83.7	-176	-177.6	178.7	1.1	104.1	S42 F46	S42-R44 VanDerWaalsContact C-N 3.32Å; S42-R44 PolarHBondContact O-N 3.29Å; R44-F46 PolarHBondContact O-N 3.13Å
45	E	43.6	Very low	56.5	Low	161 Å²	161	139.6 Å²	139.6	75%	0.752	68%	0.676	S	S	*	*			trans	-42.5	118.9	161	-81.4	178.8	155.8	0	0	105.5	R43 E47	R43-E45 PolarHBondContact O-N 3.42Å; E45-E47 PolarHBondContact O-N 3.33Å
46	F	44.7	Very low	59.5	Low	205 Å²	205	129.7 Å²	129.7	90%	0.899	64%	0.64	S	S	*	*			trans	-58.1	85.3	165.6	-116.9	-100.9	0	0	0	104.5	R44 P48	R44-F46 PolarHBondContact O-N 3.13Å; F46-P48 WeakPolarHBondContact O-CD 3.45Å
47	E	50.9	Low	62.4	Low	171 Å²	171	129.5 Å²	129.5	80%	0.799	63%	0.632	S	S	*	*			trans	-57.1	114.7	162.4	-87.4	-165.8	160.6	0	0	103.9	E45 K49	E45-E47 PolarHBondContact O-N 3.33Å; E47-K49 PolarHBondContact O-N 3.33Å; E47-K49 VanDerWaalsContact O-N 3.16Å
48	P	59	Low	65.4	Low	110 Å²	110	129 Å²	129	71%	0.714	62%	0.616	S	S	*	*			trans	-53.6	131.2	-179.5	-1.7	4.5	0	0	0	106.9	F46 Q50	F46-P48 WeakPolarHBondContact O-CD 3.45Å; P48-Q50 PolarHBondContact O-N 2.76Å
49	K	62.1	Low	68.3	Low	207 Å²	207	123.5 Å²	123.5	90%	0.9	60%	0.601	S	S	*	*			trans	-48.3	109.8	175	-91.3	-174.9	175.6	179.9	0	107.2	E47 E51	E47-K49 PolarHBondContact O-N 3.33Å; E47-K49 VanDerWaalsContact O-N 3.16Å; K49-E51 PolarHBondContact O-N 3.48Å
50	Q	78.6	Confident	71.2	Confident	124 Å²	124	118.8 Å²	118.8	58%	0.579	57%	0.569	S	S	*	*			trans	-65.9	112.1	-172.6	-137.6	161.8	36.6	0	0	107.5	P48 L52 K126	P48-Q50 PolarHBondContact O-N 2.76Å; Q50-L52 PolarHBondContact O-N 3.47Å; Q50-K126 HydrophobicContact CG-CD 4.4Å; Q50-K126 HydrophobicContact CG-CG 4.38Å
51	E	93.7	Very high	74.1	Confident	152 Å²	152	111.4 Å²	111.4	71%	0.71	54%	0.54	S	S	*	.			trans	-64.8	134.2	-178.7	-170.9	175.3	-173.7	0	0	109.3	K49 A127	K49-E51 PolarHBondContact O-N 3.48Å; E51-A127 HydrophobicContact CB-CB 3.97Å; E51-A127 HydrophobicContact CG-CB 3.97Å; E51-A127 WeakPolarHBondContact O-CB 3.47Å; E51-A127 PolarHBondContact O-N 2.87Å
52	L	96.4	Very high	76.8	Confident	89 Å²	89	109.6 Å²	109.6	47%	0.466	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	139.6	177.8	-59.6	179.3	0	0	0	109.3	Q50 L124 Y125	Q50-L52 PolarHBondContact O-N 3.47Å; L52-L124 HydrophobicContact CB-CB 3.82Å; L52-L124 HydrophobicContact CB-CD1 4.28Å; L52-L124 HydrophobicContact CD1-CB 4.35Å; L52-Y125 CarbonylContact C-O 3.48Å; L52-Y125 WeakPolarHBondContact CA-O 3.41Å
53	K	96.4	Very high	79.7	Confident	72 Å²	72	112 Å²	112	31%	0.313	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.8	-177.5	173.5	174	170.8	-167.9	0	110.1	W55 Y125 A127 E160	K53-W55 HydrophobicContact CD-CD2 3.97Å; K53-W55 HydrophobicContact CD-CE3 4.36Å; K53-W55 HydrophobicContact CD-CG 4.48Å; K53-W55 HydrophobicContact CD-CH2 4.26Å; K53-W55 HydrophobicContact CD-CZ2 3.85Å; K53-W55 HydrophobicContact CD-CZ3 4.49Å; K53-W55 HydrophobicContact CG-CD2 4.29Å; K53-W55 HydrophobicContact CG-CG 4.28Å; K53-W55 VanDerWaalsContact NZ-CH2 3.34Å; K53-Y125 PolarHBondContact N-O 3.24Å; K53-Y125 PolarHBondContact O-N 3.1Å; K53-Y125 VanDerWaalsContact O-N 3.12Å; K53-A127 HydrophobicContact CB-CB 3.97Å; K53-E160 IonicContact NZ-OE1 3.4Å; K53-E160 PolarHBondContact NZ-OE1 3.34Å
54	D	97	Very high	82.5	Confident	61 Å²	61	103.3 Å²	103.3	33%	0.326	50%	0.496	S	S	.	.			trans	-77.3	117.8	160.9	-177.3	7.2	0	0	0	107.9	E56 H58 L124	D54-E56 VanDerWaalsContact OD1-CB 3.31Å; D54-E56 WeakPolarHBondContact OD1-CB 3.48Å; D54-E56 VanDerWaalsContact OD1-CG 3.25Å; D54-E56 WeakPolarHBondContact OD1-CG 3.41Å; D54-E56 PolarHBondContact OD1-N 3.16Å; D54-H58 IonicContact OD2-CD2 3.36Å; D54-H58 IonicContact OD2-CE1 2.66Å; D54-H58 IonicContact OD2-NE2 2.9Å; D54-H58 PolarHBondContact OD2-NE2 3Å; D54-L124 HydrophobicContact CB-CD2 3.76Å
55	W	97.7	Very high	85.1	Confident	19 Å²	19	95.1 Å²	95.1	7%	0.072	48%	0.479	C	S	.	.			trans	-100.8	3.6	-179.5	-72.8	92.9	0	0	0	113.1	K53 D57 K126 A127 L129 P158 E160 L161 P235	K53-W55 HydrophobicContact CD-CD2 3.97Å; K53-W55 HydrophobicContact CD-CE3 4.36Å; K53-W55 HydrophobicContact CD-CG 4.48Å; K53-W55 HydrophobicContact CD-CH2 4.26Å; K53-W55 HydrophobicContact CD-CZ2 3.85Å; K53-W55 HydrophobicContact CD-CZ3 4.49Å; K53-W55 HydrophobicContact CG-CD2 4.29Å; K53-W55 HydrophobicContact CG-CG 4.28Å; K53-W55 VanDerWaalsContact NZ-CH2 3.34Å; W55-D57 PolarHBondContact O-N 3.36Å; W55-K126 PolarHBondContact NE1-O 2.94Å; W55-A127 VanDerWaalsContact CZ2-O 3.32Å; W55-A127 WeakPolarHBondContact CZ2-O 3.44Å; W55-L129 HydrophobicContact CZ2-CB 4.5Å; W55-L129 HydrophobicContact CZ2-CD1 3.92Å; W55-L129 HydrophobicContact CZ2-CG 4.29Å; W55-P158 HydrophobicContact CE3-CB 3.78Å; W55-P158 HydrophobicContact CE3-CG 3.6Å; W55-P158 HydrophobicContact CZ3-CB 3.62Å; W55-P158 HydrophobicContact CZ3-CG 3.96Å; W55-E160 HydrophobicContact CH2-CG 3.94Å; W55-E160 HydrophobicContact CZ3-CG 3.84Å; W55-E160 WeakPolarHBondContact CZ3-OE1 3.44Å; W55-L161 HydrophobicContact CD2-CD1 4.5Å; W55-L161 HydrophobicContact CE3-CD1 4.06Å; W55-L161 HydrophobicContact CH2-CD1 3.8Å; W55-L161 HydrophobicContact CH2-CD2 3.73Å; W55-L161 HydrophobicContact CH2-CG 3.81Å; W55-L161 HydrophobicContact CZ2-CD1 4.24Å; W55-L161 HydrophobicContact CZ2-CD2 4.34Å; W55-L161 HydrophobicContact CZ3-CD1 3.69Å; W55-L161 HydrophobicContact CZ3-CD2 4.28Å; W55-L161 HydrophobicContact CZ3-CG 3.83Å; W55-P235 HydrophobicContact CB-CB 3.99Å; W55-P235 HydrophobicContact CB-CG 3.54Å; W55-P235 HydrophobicContact CD2-CG 4.09Å; W55-P235 HydrophobicContact CE3-CG 4.45Å; W55-P235 HydrophobicContact CG-CB 3.94Å; W55-P235 HydrophobicContact CG-CG 3.73Å
56	E	96.6	Very high	87.6	Confident	21 Å²	21	95.5 Å²	95.5	10%	0.098	48%	0.478	C	S	.	.			trans	-64.7	126.7	174.6	-63.1	-71.9	160.3	0	0	110.9	D54 H58 R116 N232	D54-E56 VanDerWaalsContact OD1-CB 3.31Å; D54-E56 WeakPolarHBondContact OD1-CB 3.48Å; D54-E56 VanDerWaalsContact OD1-CG 3.25Å; D54-E56 WeakPolarHBondContact OD1-CG 3.41Å; D54-E56 PolarHBondContact OD1-N 3.16Å; E56-H58 VanDerWaalsContact C-N 3.35Å; E56-H58 PolarHBondContact O-CD2 3.28Å; E56-H58 PolarHBondContact O-N 2.7Å; E56-H58 VanDerWaalsContact O-N 3.17Å; E56-R116 IonicContact OE1-CZ 3.84Å; E56-R116 IonicContact OE1-NH1 3.79Å; E56-R116 PolarHBondContact OE1-NH1 2.78Å; E56-R116 IonicContact OE1-NH2 2.78Å; E56-R116 PolarHBondContact OE1-NH2 3.38Å; E56-R116 IonicContact OE2-CZ 2.92Å; E56-R116 IonicContact OE2-NH1 3.32Å; E56-R116 PolarHBondContact OE2-NH1 3.06Å; E56-R116 IonicContact OE2-NH2 2.71Å; E56-R116 PolarHBondContact OE2-NH2 3.07Å; E56-N232 VanDerWaalsContact CD-ND2 3.25Å; E56-N232 WeakPolarHBondContact OE1-CB 3.49Å; E56-N232 PolarHBondContact OE1-ND2 3.05Å; E56-N232 WeakPolarHBondContact OE2-CB 3.45Å
57	D	97	Very high	90.1	Very high	85 Å²	85	88.7 Å²	88.7	46%	0.455	45%	0.447	S	S	.	.			trans	-85.1	81.3	166.2	-174	-12.6	0	0	0	109.4	W55 G59 L60 T61	W55-D57 PolarHBondContact O-N 3.36Å; D57-G59 PolarHBondContact O-N 3.37Å; D57-G59 VanDerWaalsContact O-N 3.15Å; D57-G59 WeakPolarHBondContact OD1-CA 3.44Å; D57-G59 PolarHBondContact OD1-N 3.07Å; D57-G59 VanDerWaalsContact OD1-N 3.1Å; D57-L60 HydrophobicContact CB-CB 3.88Å; D57-L60 PolarHBondContact O-N 3.39Å; D57-L60 VanDerWaalsContact O-N 3.15Å; D57-L60 PolarHBondContact OD1-N 3.17Å; D57-L60 WeakPolarHBondContact OD2-CB 3.32Å; D57-T61 PolarHBondContact O-N 2.84Å; D57-T61 PolarHBondContact O-OG1 2.8Å
58	H	95.3	Very high	92.4	Very high	111 Å²	111	88.4 Å²	88.4	51%	0.514	45%	0.45	S	S	.	.	H	α-helix	trans	-57.6	-27.4	178.3	-63	-72.1	0	0	0	112.7	D54 E56 S62	D54-H58 IonicContact OD2-CD2 3.36Å; D54-H58 IonicContact OD2-CE1 2.66Å; D54-H58 IonicContact OD2-NE2 2.9Å; D54-H58 PolarHBondContact OD2-NE2 3Å; E56-H58 VanDerWaalsContact C-N 3.35Å; E56-H58 PolarHBondContact O-CD2 3.28Å; E56-H58 PolarHBondContact O-N 2.7Å; E56-H58 VanDerWaalsContact O-N 3.17Å; H58-S62 VanDerWaalsContact O-CB 3.24Å; H58-S62 WeakPolarHBondContact O-CB 3.41Å; H58-S62 PolarHBondContact O-N 2.78Å; H58-S62 PolarHBondContact O-OG 3.12Å
59	G	96.7	Very high	94.2	Very high	40 Å²	40	85.4 Å²	85.4	41%	0.412	44%	0.439	S	S	.	.	H	α-helix	trans	-73.2	-41.6	177.2	0	0	0	0	0	112.7	D57 R63	D57-G59 PolarHBondContact O-N 3.37Å; D57-G59 VanDerWaalsContact O-N 3.15Å; D57-G59 WeakPolarHBondContact OD1-CA 3.44Å; D57-G59 PolarHBondContact OD1-N 3.07Å; D57-G59 VanDerWaalsContact OD1-N 3.1Å; G59-R63 VanDerWaalsContact O-CG 3.32Å; G59-R63 WeakPolarHBondContact O-CG 3.21Å; G59-R63 PolarHBondContact O-N 2.92Å; G59-R63 VanDerWaalsContact O-N 3.12Å; G59-R63 PolarHBondContact O-NE 2.98Å
60	L	97.1	Very high	95.9	Very high	18 Å²	18	78.3 Å²	78.3	9%	0.094	41%	0.414	C	S	.	.	H	α-helix	trans	-61.4	-52.9	170.4	174.9	65.3	0	0	0	110.8	D57 S62 R63 D64 N155 R156 Y231	D57-L60 HydrophobicContact CB-CB 3.88Å; D57-L60 PolarHBondContact O-N 3.39Å; D57-L60 VanDerWaalsContact O-N 3.15Å; D57-L60 PolarHBondContact OD1-N 3.17Å; D57-L60 WeakPolarHBondContact OD2-CB 3.32Å; L60-S62 VanDerWaalsContact C-N 3.27Å; L60-S62 PolarHBondContact O-N 3.4Å; L60-R63 PolarHBondContact O-N 3.12Å; L60-D64 WeakPolarHBondContact O-CB 3.15Å; L60-D64 PolarHBondContact O-N 2.94Å; L60-N155 WeakPolarHBondContact CD2-O 3.47Å; L60-R156 HydrophobicContact CD2-CG 4.02Å; L60-Y231 HydrophobicContact CD2-CD1 4.34Å; L60-Y231 HydrophobicContact CD2-CE1 4.43Å; L60-Y231 HydrophobicContact CG-CE1 4.34Å
61	T	95.1	Very high	96.8	Very high	43 Å²	43	72.6 Å²	72.6	26%	0.264	39%	0.389	S	S	.	.	H	α-helix	trans	-58.3	-41.3	-178.6	-57.9	0	0	0	0	111.3	D57 R63 D64 A65	D57-T61 PolarHBondContact O-N 2.84Å; D57-T61 PolarHBondContact O-OG1 2.8Å; T61-R63 PolarHBondContact O-N 3.28Å; T61-D64 PolarHBondContact O-N 2.95Å; T61-A65 VanDerWaalsContact O-CB 3.3Å; T61-A65 WeakPolarHBondContact O-CB 3.28Å; T61-A65 PolarHBondContact O-N 3.13Å
62	S	96.6	Very high	97	Very high	69 Å²	69	66 Å²	66	48%	0.483	36%	0.358	S	S	.	.	H	α-helix	trans	-66.7	-33	177.2	-62.9	0	0	0	0	114	H58 L60	H58-S62 VanDerWaalsContact O-CB 3.24Å; H58-S62 WeakPolarHBondContact O-CB 3.41Å; H58-S62 PolarHBondContact O-N 2.78Å; H58-S62 PolarHBondContact O-OG 3.12Å; L60-S62 VanDerWaalsContact C-N 3.27Å; L60-S62 PolarHBondContact O-N 3.4Å
63	R	97.6	Very high	97.1	Very high	163 Å²	163	64 Å²	64	62%	0.615	35%	0.346	S	S	*	.	H	α-helix	trans	-75.6	-45.8	175.5	-75.7	-177.5	-64	155.7	-0.4	111	G59 L60 T61 A65 K66	G59-R63 VanDerWaalsContact O-CG 3.32Å; G59-R63 WeakPolarHBondContact O-CG 3.21Å; G59-R63 PolarHBondContact O-N 2.92Å; G59-R63 VanDerWaalsContact O-N 3.12Å; G59-R63 PolarHBondContact O-NE 2.98Å; L60-R63 PolarHBondContact O-N 3.12Å; T61-R63 PolarHBondContact O-N 3.28Å; R63-A65 VanDerWaalsContact C-N 3.32Å; R63-A65 PolarHBondContact O-N 2.83Å; R63-K66 PolarHBondContact O-N 3.41Å; R63-K66 VanDerWaalsContact O-N 3.13Å
64	D	97.9	Very high	97.2	Very high	10 Å²	10	60.6 Å²	60.6	5%	0.053	33%	0.331	C	S	.	.	H	α-helix	trans	-62.3	-39.3	179.6	-94.1	14	0	0	0	111.6	L60 T61 K66 R67 Q73 R156 Y231	L60-D64 WeakPolarHBondContact O-CB 3.15Å; L60-D64 PolarHBondContact O-N 2.94Å; T61-D64 PolarHBondContact O-N 2.95Å; D64-K66 PolarHBondContact O-N 2.97Å; D64-R67 WeakPolarHBondContact O-CB 3.36Å; D64-R67 PolarHBondContact O-N 3Å; D64-R67 VanDerWaalsContact OD1-CD 3.3Å; D64-R67 WeakPolarHBondContact OD1-CD 3.24Å; D64-Q73 PolarHBondContact O-NE2 3.5Å; D64-R156 IonicContact OD2-NH2 2.74Å; D64-Y231 HydrophobicContact CB-CE1 4.22Å; D64-Y231 WeakPolarHBondContact CB-OH 2.89Å; D64-Y231 WeakPolarHBondContact OD2-CE1 3.3Å; D64-Y231 PolarHBondContact OD2-OH 2.86Å
65	A	96.4	Very high	97.2	Very high	66 Å²	66	62.6 Å²	62.6	55%	0.545	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.1	176.7	0	0	0	0	0	114.1	T61 R63	T61-A65 VanDerWaalsContact O-CB 3.3Å; T61-A65 WeakPolarHBondContact O-CB 3.28Å; T61-A65 PolarHBondContact O-N 3.13Å; R63-A65 VanDerWaalsContact C-N 3.32Å; R63-A65 PolarHBondContact O-N 2.83Å
66	K	97.2	Very high	97.3	Very high	169 Å²	169	63.8 Å²	63.8	74%	0.735	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-5.5	178.4	-62.3	174.2	-173.4	177.8	0	113	R63 D64	R63-K66 PolarHBondContact O-N 3.41Å; R63-K66 VanDerWaalsContact O-N 3.13Å; D64-K66 PolarHBondContact O-N 2.97Å
67	R	97.7	Very high	97.3	Very high	62 Å²	62	65.2 Å²	65.2	23%	0.234	35%	0.354	C	S	.	.			trans	-72.1	137.1	-178	-67.4	178.3	61.4	129.9	6	110.8	D64 E72 Q73 N109	D64-R67 WeakPolarHBondContact O-CB 3.36Å; D64-R67 PolarHBondContact O-N 3Å; D64-R67 VanDerWaalsContact OD1-CD 3.3Å; D64-R67 WeakPolarHBondContact OD1-CD 3.24Å; R67-E72 HydrophobicContact CB-CG 4.31Å; R67-E72 WeakPolarHBondContact CB-OE2 3.35Å; R67-E72 IonicContact CZ-OE1 2.65Å; R67-E72 IonicContact CZ-OE2 3.35Å; R67-E72 IonicContact NE-OE1 3.97Å; R67-E72 PolarHBondContact NE-OE1 3.23Å; R67-E72 VanDerWaalsContact NE-OE1 3.16Å; R67-E72 IonicContact NE-OE2 2.87Å; R67-E72 PolarHBondContact NE-OE2 2.8Å; R67-E72 IonicContact NH2-OE1 3.92Å; R67-E72 PolarHBondContact NH2-OE1 3.27Å; R67-Q73 PolarHBondContact O-NE2 3.19Å; R67-Q73 VanDerWaalsContact O-NE2 3.07Å; R67-N109 PolarHBondContact NH1-ND2 2.71Å; R67-N109 VanDerWaalsContact NH1-ND2 3.2Å; R67-N109 PolarHBondContact NH1-O 3.24Å; R67-N109 PolarHBondContact NH2-O 2.76Å; R67-N109 PolarHBondContact NH2-OD1 2.79Å
68	L	97.7	Very high	97.3	Very high	165 Å²	165	67.3 Å²	67.3	86%	0.864	36%	0.361	S	S	*	.			trans	-127	149.3	179.6	-60.3	175.3	0	0	0	109.2
69	G	97.3	Very high	97.3	Very high	47 Å²	47	62.9 Å²	62.9	49%	0.485	34%	0.341	S	S	.	.	S	Bend	trans	137.8	179.5	179.6	0	0	0	0	0	112.4	G71 E72	G69-G71 PolarHBondContact O-N 3.1Å; G69-E72 PolarHBondContact O-N 2.93Å
70	P	97.7	Very high	97.2	Very high	58 Å²	58	63.9 Å²	63.9	38%	0.377	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	121.4	178.1	-29.2	37.6	0	0	0	112.7	E72 Y77 Y105 L106	P70-E72 PolarHBondContact O-N 3.03Å; P70-E72 VanDerWaalsContact O-N 3.09Å; P70-Y77 HydrophobicContact CB-CD2 3.7Å; P70-Y77 HydrophobicContact CB-CE2 3.73Å; P70-Y77 HydrophobicContact CB-CG 4.31Å; P70-Y77 HydrophobicContact CG-CD2 4.47Å; P70-Y77 HydrophobicContact CG-CE2 4.06Å; P70-Y105 WeakPolarHBondContact CB-O 3.28Å; P70-L106 HydrophobicContact CB-CD2 3.92Å; P70-L106 WeakPolarHBondContact O-CD2 3.42Å
71	G	98	Very high	97	Very high	5 Å²	5	68.8 Å²	68.8	5%	0.052	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	8.6	175.6	0	0	0	0	0	116.7	G69 G74 Q75 R110	G69-G71 PolarHBondContact O-N 3.1Å; G71-G74 WeakPolarHBondContact O-CA 3.49Å; G71-G74 PolarHBondContact O-N 2.85Å; G71-Q75 WeakPolarHBondContact CA-O 3.31Å; G71-R110 PolarHBondContact O-NH1 2.93Å
72	E	98.5	Very high	96.9	Very high	12 Å²	12	74.6 Å²	74.6	6%	0.056	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-59.6	153.2	169.6	-67.7	-72.5	166.2	0	0	110.1	R67 G69 P70 G74 Q75 R110 S111	R67-E72 HydrophobicContact CB-CG 4.31Å; R67-E72 WeakPolarHBondContact CB-OE2 3.35Å; R67-E72 IonicContact CZ-OE1 2.65Å; R67-E72 IonicContact CZ-OE2 3.35Å; R67-E72 IonicContact NE-OE1 3.97Å; R67-E72 PolarHBondContact NE-OE1 3.23Å; R67-E72 VanDerWaalsContact NE-OE1 3.16Å; R67-E72 IonicContact NE-OE2 2.87Å; R67-E72 PolarHBondContact NE-OE2 2.8Å; R67-E72 IonicContact NH2-OE1 3.92Å; R67-E72 PolarHBondContact NH2-OE1 3.27Å; G69-E72 PolarHBondContact O-N 2.93Å; P70-E72 PolarHBondContact O-N 3.03Å; P70-E72 VanDerWaalsContact O-N 3.09Å; E72-G74 PolarHBondContact O-N 3.23Å; E72-G74 VanDerWaalsContact O-N 3.12Å; E72-Q75 WeakPolarHBondContact O-CG 3.2Å; E72-Q75 PolarHBondContact O-N 2.64Å; E72-R110 WeakPolarHBondContact OE1-CA 3.4Å; E72-S111 VanDerWaalsContact OE2-CB 3.29Å; E72-S111 WeakPolarHBondContact OE2-CB 3.44Å; E72-S111 PolarHBondContact OE2-N 3.47Å; E72-S111 PolarHBondContact OE2-OG 3.38Å
73	Q	97.9	Very high	96.7	Very high	48 Å²	48	73 Å²	73	22%	0.224	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	57.7	17.3	-169.3	-41.8	-53.7	-38.6	0	0	113.8	D64 R67 Q75 S111 K113	D64-Q73 PolarHBondContact O-NE2 3.5Å; R67-Q73 PolarHBondContact O-NE2 3.19Å; R67-Q73 VanDerWaalsContact O-NE2 3.07Å; Q73-Q75 VanDerWaalsContact C-N 3.26Å; Q73-Q75 HydrophobicContact CB-CG 4.38Å; Q73-Q75 PolarHBondContact O-N 2.93Å; Q73-S111 PolarHBondContact N-O 2.97Å; Q73-S111 VanDerWaalsContact N-O 3.11Å; Q73-S111 PolarHBondContact N-OG 3.03Å; Q73-S111 PolarHBondContact NE2-OG 3.46Å; Q73-K113 PolarHBondContact O-N 3.21Å
74	G	97.9	Very high	96.3	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	67.3	22.7	-176.3	0	0	0	0	0	114.2	G71 E72 S111 E262 Y263	G71-G74 WeakPolarHBondContact O-CA 3.49Å; G71-G74 PolarHBondContact O-N 2.85Å; E72-G74 PolarHBondContact O-N 3.23Å; E72-G74 VanDerWaalsContact O-N 3.12Å; G74-S111 PolarHBondContact N-O 2.98Å; G74-E262 WeakPolarHBondContact O-CA 3.26Å; G74-Y263 PolarHBondContact O-N 3.42Å
75	Q	98.3	Very high	96	Very high	103 Å²	103	76.3 Å²	76.3	48%	0.481	40%	0.403	S	S	.	.			trans	-68.3	151.9	176.8	-65.5	-60.8	-37.7	0	0	111.6	G71 E72 Q73	G71-Q75 WeakPolarHBondContact CA-O 3.31Å; E72-Q75 WeakPolarHBondContact O-CG 3.2Å; E72-Q75 PolarHBondContact O-N 2.64Å; Q73-Q75 VanDerWaalsContact C-N 3.26Å; Q73-Q75 HydrophobicContact CB-CG 4.38Å; Q73-Q75 PolarHBondContact O-N 2.93Å
76	P	98.1	Very high	95.9	Very high	45 Å²	45	74.5 Å²	74.5	29%	0.292	39%	0.386	S	S	.	.			trans	-62.9	139	173.3	26	-32.7	0	0	0	110.6	T260 E262	P76-T260 HydrophobicContact CB-CG2 4.3Å; P76-E262 HydrophobicContact CB-CB 4.05Å
77	Y	98	Very high	95.8	Very high	50 Å²	50	69.1 Å²	69.1	20%	0.196	38%	0.378	C	S	.	.			trans	-109.5	129.8	168.2	-176.7	-109.9	0	0	0	110.5	P70 L79 V102 Y105 L106 T260	P70-Y77 HydrophobicContact CB-CD2 3.7Å; P70-Y77 HydrophobicContact CB-CE2 3.73Å; P70-Y77 HydrophobicContact CB-CG 4.31Å; P70-Y77 HydrophobicContact CG-CD2 4.47Å; P70-Y77 HydrophobicContact CG-CE2 4.06Å; Y77-L79 HydrophobicContact CE1-CD2 4.01Å; Y77-V102 HydrophobicContact CD1-CB 4.49Å; Y77-V102 HydrophobicContact CD1-CG1 4.02Å; Y77-V102 HydrophobicContact CD1-CG2 4.25Å; Y77-Y105 VanDerWaalsContact CE1-CB 3.43Å; Y77-Y105 HydrophobicContact CE1-CD1 4.44Å; Y77-Y105 HydrophobicContact CE1-CD2 4.1Å; Y77-Y105 AromaticContact CE1-CG 3.74Å; Y77-Y105 HydrophobicContact CE1-CG 3.74Å; Y77-Y105 WeakPolarHBondContact OH-CD1 3.48Å; Y77-L106 HydrophobicContact CD1-CD2 4.38Å; Y77-L106 HydrophobicContact CG-CD2 4.11Å; Y77-T260 PolarHBondContact N-O 2.67Å
78	H	97	Very high	95.7	Very high	130 Å²	130	70.4 Å²	70.4	60%	0.602	39%	0.389	S	S	*	.			trans	-111.5	124.8	177.6	-61.3	-74	0	0	0	109.2
79	L	95.2	Very high	95.6	Very high	18 Å²	18	64.4 Å²	64.4	9%	0.094	36%	0.356	C	S	.	.			trans	-61	148.2	171.4	-65.3	172.1	0	0	0	110.3	Y77 L83 K89 L101 V102 Y105	Y77-L79 HydrophobicContact CE1-CD2 4.01Å; L79-L83 HydrophobicContact CB-CB 4.03Å; L79-L83 HydrophobicContact CD1-CB 4.46Å; L79-L83 HydrophobicContact CD2-CB 4.32Å; L79-L83 HydrophobicContact CD2-CD1 4.24Å; L79-L83 HydrophobicContact CG-CB 4.5Å; L79-K89 HydrophobicContact CD1-CD 4.22Å; L79-K89 HydrophobicContact CD1-CG 4.17Å; L79-L101 HydrophobicContact CD1-CB 4.36Å; L79-L101 HydrophobicContact CD1-CD2 3.88Å; L79-L101 HydrophobicContact CD1-CG 4.15Å; L79-L101 HydrophobicContact CD2-CD2 4.42Å; L79-L101 HydrophobicContact CD2-CG 4.17Å; L79-V102 HydrophobicContact CD1-CG2 3.97Å; L79-V102 HydrophobicContact CD2-CG2 4Å; L79-V102 HydrophobicContact CG-CG2 3.63Å; L79-Y105 HydrophobicContact CD2-CD2 3.91Å; L79-Y105 HydrophobicContact CD2-CE2 3.97Å
80	S	94.4	Very high	95.4	Very high	60 Å²	60	67.3 Å²	67.3	42%	0.42	36%	0.357	S	S	.	.			trans	-57.4	156.4	167.9	62.8	0	0	0	0	111	E82 L83 K84	S80-E82 PolarHBondContact O-N 3.18Å; S80-L83 PolarHBondContact O-N 3.34Å; S80-L83 VanDerWaalsContact O-N 3.08Å; S80-K84 VanDerWaalsContact O-CB 3.28Å; S80-K84 WeakPolarHBondContact O-CB 3.5Å; S80-K84 PolarHBondContact O-N 2.96Å
81	D	91.9	Very high	95.4	Very high	121 Å²	121	70.6 Å²	70.6	65%	0.647	37%	0.366	S	S	*	.	H	α-helix	trans	-58.3	-33.4	-177.7	-71.4	-39.6	0	0	0	113.2	K84 N85	D81-K84 PolarHBondContact O-N 3.34Å; D81-N85 PolarHBondContact O-N 3.22Å; D81-N85 PolarHBondContact O-ND2 3.48Å
82	E	93	Very high	95.2	Very high	166 Å²	166	71.4 Å²	71.4	78%	0.776	37%	0.369	S	S	*	.	H	α-helix	trans	-60.7	-52.1	173.8	-175.3	-177.3	177.1	0	0	111.6	S80 K84 N85 S86	S80-E82 PolarHBondContact O-N 3.18Å; E82-K84 VanDerWaalsContact C-N 3.33Å; E82-K84 PolarHBondContact O-N 3.25Å; E82-N85 PolarHBondContact O-N 3.2Å; E82-S86 PolarHBondContact O-N 3.03Å
83	L	93.6	Very high	95.1	Very high	36 Å²	36	73 Å²	73	19%	0.188	37%	0.374	C	S	.	.	H	α-helix	trans	-71	-32.3	179.9	-68.6	171.8	0	0	0	112	L79 S80 N85 S86 L101 Y105	L79-L83 HydrophobicContact CB-CB 4.03Å; L79-L83 HydrophobicContact CD1-CB 4.46Å; L79-L83 HydrophobicContact CD2-CB 4.32Å; L79-L83 HydrophobicContact CD2-CD1 4.24Å; L79-L83 HydrophobicContact CG-CB 4.5Å; S80-L83 PolarHBondContact O-N 3.34Å; S80-L83 VanDerWaalsContact O-N 3.08Å; L83-N85 PolarHBondContact O-N 2.84Å; L83-S86 WeakPolarHBondContact O-CB 3.34Å; L83-S86 PolarHBondContact O-N 2.77Å; L83-S86 VanDerWaalsContact O-N 3.1Å; L83-S86 PolarHBondContact O-OG 2.93Å; L83-L101 HydrophobicContact CB-CD2 4.4Å; L83-L101 HydrophobicContact CD2-CD2 4.44Å; L83-Y105 HydrophobicContact CD1-CE2 3.92Å; L83-Y105 WeakPolarHBondContact CD1-OH 3.48Å
84	K	89.6	Confident	94.9	Very high	103 Å²	103	76.7 Å²	76.7	45%	0.448	39%	0.39	S	S	.	.	H	α-helix	trans	-61.3	-31.8	-180	-171	177.6	179.1	-177.8	0	112.3	S80 D81 E82 K89	S80-K84 VanDerWaalsContact O-CB 3.28Å; S80-K84 WeakPolarHBondContact O-CB 3.5Å; S80-K84 PolarHBondContact O-N 2.96Å; D81-K84 PolarHBondContact O-N 3.34Å; E82-K84 VanDerWaalsContact C-N 3.33Å; E82-K84 PolarHBondContact O-N 3.25Å; K84-K89 WeakPolarHBondContact O-CD 3.38Å; K84-K89 PolarHBondContact O-NZ 2.83Å
85	N	90.9	Very high	94.7	Very high	138 Å²	138	81.2 Å²	81.2	74%	0.738	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	8.2	177.8	-61.1	-41.7	0	0	0	113.1	D81 E82 L83	D81-N85 PolarHBondContact O-N 3.22Å; D81-N85 PolarHBondContact O-ND2 3.48Å; E82-N85 PolarHBondContact O-N 3.2Å; L83-N85 PolarHBondContact O-N 2.84Å
86	S	93.9	Very high	94.5	Very high	29 Å²	29	76.4 Å²	76.4	20%	0.203	39%	0.388	C	S	.	.			trans	-72.8	145.4	-179.6	72.6	0	0	0	0	112.6	E82 L83 L88 K89 E90	E82-S86 PolarHBondContact O-N 3.03Å; L83-S86 WeakPolarHBondContact O-CB 3.34Å; L83-S86 PolarHBondContact O-N 2.77Å; L83-S86 VanDerWaalsContact O-N 3.1Å; L83-S86 PolarHBondContact O-OG 2.93Å; S86-L88 PolarHBondContact O-N 3.11Å; S86-K89 PolarHBondContact O-N 3.17Å; S86-K89 PolarHBondContact OG-N 3.49Å; S86-E90 PolarHBondContact O-N 3.1Å
87	G	95.4	Very high	94.3	Very high	55 Å²	55	74.2 Å²	74.2	57%	0.567	38%	0.375	S	S	*	.	H	α-helix	trans	-62.5	-25.3	171.7	0	0	0	0	0	113.2	E90 K91	G87-E90 PolarHBondContact O-N 3.38Å; G87-K91 VanDerWaalsContact O-CB 3.31Å; G87-K91 WeakPolarHBondContact O-CB 3.26Å; G87-K91 PolarHBondContact O-N 3.42Å
88	L	95.8	Very high	94.3	Very high	89 Å²	89	71.9 Å²	71.9	47%	0.466	37%	0.365	S	S	.	.	H	α-helix	trans	-65.3	-46.4	175.1	179.8	61.2	0	0	0	111.5	S86 E90 K91 L92 L101	S86-L88 PolarHBondContact O-N 3.11Å; L88-E90 VanDerWaalsContact C-N 3.34Å; L88-E90 PolarHBondContact O-N 3.33Å; L88-K91 PolarHBondContact O-N 3.12Å; L88-L92 HydrophobicContact CD1-CD1 3.88Å; L88-L92 HydrophobicContact CD1-CG 4.03Å; L88-L92 HydrophobicContact CG-CD1 4.02Å; L88-L92 WeakPolarHBondContact O-CB 3.5Å; L88-L92 WeakPolarHBondContact O-CG 3.48Å; L88-L92 PolarHBondContact O-N 3.13Å; L88-L101 HydrophobicContact CD2-CD1 3.93Å; L88-L101 HydrophobicContact CG-CD1 4.37Å
89	K	94.9	Very high	94.3	Very high	40 Å²	40	65.8 Å²	65.8	17%	0.174	34%	0.338	C	S	.	.	H	α-helix	trans	-56.3	-51.2	174.9	-179.2	-158.5	169.1	-174.3	0	110.2	L79 K84 S86 K91 L92 Y93 L101	L79-K89 HydrophobicContact CD1-CD 4.22Å; L79-K89 HydrophobicContact CD1-CG 4.17Å; K84-K89 WeakPolarHBondContact O-CD 3.38Å; K84-K89 PolarHBondContact O-NZ 2.83Å; S86-K89 PolarHBondContact O-N 3.17Å; S86-K89 PolarHBondContact OG-N 3.49Å; K89-K91 VanDerWaalsContact C-N 3.35Å; K89-K91 PolarHBondContact O-N 3.39Å; K89-L92 PolarHBondContact O-N 3.31Å; K89-Y93 WeakPolarHBondContact O-CB 3.37Å; K89-Y93 PolarHBondContact O-N 2.85Å; K89-L101 HydrophobicContact CB-CD2 3.82Å
90	E	94.4	Very high	94.4	Very high	108 Å²	108	65 Å²	65	51%	0.505	33%	0.333	S	S	.	.	H	α-helix	trans	-61.2	-43.6	-177.6	-170.5	-178.3	176	0	0	111.8	S86 G87 L88 Y93 K94	S86-E90 PolarHBondContact O-N 3.1Å; G87-E90 PolarHBondContact O-N 3.38Å; L88-E90 VanDerWaalsContact C-N 3.34Å; L88-E90 PolarHBondContact O-N 3.33Å; E90-Y93 PolarHBondContact O-N 3.01Å; E90-K94 HydrophobicContact CG-CD 4.3Å; E90-K94 WeakPolarHBondContact O-CB 3.33Å; E90-K94 WeakPolarHBondContact O-CG 3.49Å; E90-K94 PolarHBondContact O-N 2.78Å; E90-K94 WeakPolarHBondContact OE1-CE 3.45Å; E90-K94 IonicContact OE1-NZ 3.85Å; E90-K94 PolarHBondContact OE1-NZ 3.33Å
91	K	95.8	Very high	94.5	Very high	126 Å²	126	62.5 Å²	62.5	55%	0.548	32%	0.315	S	S	.	.	H	α-helix	trans	-58.8	-54	176.4	179.9	-176.2	175	-174.4	0	111.5	G87 L88 K89 Y93 K94 Q95	G87-K91 VanDerWaalsContact O-CB 3.31Å; G87-K91 WeakPolarHBondContact O-CB 3.26Å; G87-K91 PolarHBondContact O-N 3.42Å; L88-K91 PolarHBondContact O-N 3.12Å; K89-K91 VanDerWaalsContact C-N 3.35Å; K89-K91 PolarHBondContact O-N 3.39Å; K91-Y93 VanDerWaalsContact C-N 3.3Å; K91-Y93 PolarHBondContact O-N 3.36Å; K91-K94 PolarHBondContact O-N 3.25Å; K91-Q95 VanDerWaalsContact O-CG 3.32Å; K91-Q95 WeakPolarHBondContact O-CG 3.41Å; K91-Q95 PolarHBondContact O-N 3.19Å
92	L	95.7	Very high	94.8	Very high	23 Å²	23	56.9 Å²	56.9	12%	0.12	29%	0.285	C	S	.	.	H	α-helix	trans	-64.4	-36.3	-178.9	-73.5	178.6	0	0	0	111.9	L88 K89 Q95 N96 A100 L101	L88-L92 HydrophobicContact CD1-CD1 3.88Å; L88-L92 HydrophobicContact CD1-CG 4.03Å; L88-L92 HydrophobicContact CG-CD1 4.02Å; L88-L92 WeakPolarHBondContact O-CB 3.5Å; L88-L92 WeakPolarHBondContact O-CG 3.48Å; L88-L92 PolarHBondContact O-N 3.13Å; K89-L92 PolarHBondContact O-N 3.31Å; L92-Q95 PolarHBondContact O-N 3.01Å; L92-N96 WeakPolarHBondContact O-CB 3.25Å; L92-N96 PolarHBondContact O-N 3.44Å; L92-N96 VanDerWaalsContact O-N 3.09Å; L92-N96 PolarHBondContact O-ND2 2.8Å; L92-A100 HydrophobicContact CB-CB 4.02Å; L92-L101 HydrophobicContact CD1-CB 4.02Å; L92-L101 HydrophobicContact CD1-CD1 4.36Å
93	Y	94.6	Very high	95.1	Very high	44 Å²	44	49 Å²	49	17%	0.173	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-43.6	176.4	-162.3	-84.8	0	0	0	111.9	K89 E90 K91 Q95 N96 G97 F98 Y258 K359 F360	K89-Y93 WeakPolarHBondContact O-CB 3.37Å; K89-Y93 PolarHBondContact O-N 2.85Å; E90-Y93 PolarHBondContact O-N 3.01Å; K91-Y93 VanDerWaalsContact C-N 3.3Å; K91-Y93 PolarHBondContact O-N 3.36Å; Y93-Q95 VanDerWaalsContact C-N 3.35Å; Y93-Q95 PolarHBondContact O-N 2.98Å; Y93-N96 PolarHBondContact O-N 3.41Å; Y93-G97 WeakPolarHBondContact O-CA 3.47Å; Y93-G97 PolarHBondContact O-N 2.93Å; Y93-F98 WeakPolarHBondContact CA-O 3.44Å; Y93-Y258 HydrophobicContact CE2-CD2 4.25Å; Y93-Y258 WeakPolarHBondContact OH-CD2 3.23Å; Y93-Y258 WeakPolarHBondContact OH-CE2 3.5Å; Y93-K359 HydrophobicContact CE1-CB 4.46Å; Y93-K359 WeakPolarHBondContact OH-CB 3.38Å; Y93-F360 AromaticContact CD1-CE1 3.99Å; Y93-F360 HydrophobicContact CD1-CE1 3.99Å; Y93-F360 HydrophobicContact CD1-CZ 4.29Å; Y93-F360 AromaticContact CE1-CE1 3.77Å; Y93-F360 HydrophobicContact CE1-CE1 3.77Å; Y93-F360 HydrophobicContact CE1-CZ 4.49Å; Y93-F360 WeakPolarHBondContact O-CZ 3.44Å
94	K	93.6	Very high	95.3	Very high	126 Å²	126	52.1 Å²	52.1	55%	0.548	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-40.2	174.1	-75.7	178.7	-175.1	171.2	0	112.6	E90 K91	E90-K94 HydrophobicContact CG-CD 4.3Å; E90-K94 WeakPolarHBondContact O-CB 3.33Å; E90-K94 WeakPolarHBondContact O-CG 3.49Å; E90-K94 PolarHBondContact O-N 2.78Å; E90-K94 WeakPolarHBondContact OE1-CE 3.45Å; E90-K94 IonicContact OE1-NZ 3.85Å; E90-K94 PolarHBondContact OE1-NZ 3.33Å; K91-K94 PolarHBondContact O-N 3.25Å
95	Q	93.9	Very high	95.6	Very high	96 Å²	96	52 Å²	52	45%	0.449	26%	0.259	S	S	.	.	H	α-helix	trans	-69.7	-32.2	-179.2	-74.6	176.1	-33.5	0	0	113.4	K91 L92 Y93 P362	K91-Q95 VanDerWaalsContact O-CG 3.32Å; K91-Q95 WeakPolarHBondContact O-CG 3.41Å; K91-Q95 PolarHBondContact O-N 3.19Å; L92-Q95 PolarHBondContact O-N 3.01Å; Y93-Q95 VanDerWaalsContact C-N 3.35Å; Y93-Q95 PolarHBondContact O-N 2.98Å; Q95-P362 WeakPolarHBondContact O-CB 3.3Å
96	N	94.9	Very high	96	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-114.1	-19.2	-170.9	-63.9	-69.5	0	0	0	114.2	L92 Y93 F98 A100 R358	L92-N96 WeakPolarHBondContact O-CB 3.25Å; L92-N96 PolarHBondContact O-N 3.44Å; L92-N96 VanDerWaalsContact O-N 3.09Å; L92-N96 PolarHBondContact O-ND2 2.8Å; Y93-N96 PolarHBondContact O-N 3.41Å; N96-F98 HydrophobicContact CB-CD1 4.11Å; N96-F98 HydrophobicContact CB-CD2 4.13Å; N96-F98 HydrophobicContact CB-CE1 3.9Å; N96-F98 HydrophobicContact CB-CE2 3.87Å; N96-F98 HydrophobicContact CB-CG 4.23Å; N96-F98 HydrophobicContact CB-CZ 3.75Å; N96-F98 WeakPolarHBondContact O-CD1 3.31Å; N96-F98 PolarHBondContact O-N 3.42Å; N96-A100 HydrophobicContact CB-CB 4.32Å; N96-A100 WeakPolarHBondContact ND2-CB 3.11Å; N96-R358 PolarHBondContact O-NH1 3.08Å
97	G	94.9	Very high	96.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	75	9.4	-172.8	0	0	0	0	0	114.4	Y93 K359	Y93-G97 WeakPolarHBondContact O-CA 3.47Å; Y93-G97 PolarHBondContact O-N 2.93Å; G97-K359 PolarHBondContact O-N 2.91Å
98	F	96.7	Very high	96.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-151	168.7	175.5	59.7	-108.3	0	0	0	110	Y93 N96 A100 H142 V145 Y258 F261 I356 R358	Y93-F98 WeakPolarHBondContact CA-O 3.44Å; N96-F98 HydrophobicContact CB-CD1 4.11Å; N96-F98 HydrophobicContact CB-CD2 4.13Å; N96-F98 HydrophobicContact CB-CE1 3.9Å; N96-F98 HydrophobicContact CB-CE2 3.87Å; N96-F98 HydrophobicContact CB-CG 4.23Å; N96-F98 HydrophobicContact CB-CZ 3.75Å; N96-F98 WeakPolarHBondContact O-CD1 3.31Å; N96-F98 PolarHBondContact O-N 3.42Å; F98-A100 VanDerWaalsContact C-N 3.27Å; F98-A100 HydrophobicContact CD2-CB 4.19Å; F98-A100 HydrophobicContact CE2-CB 3.8Å; F98-A100 PolarHBondContact O-N 2.95Å; F98-H142 HydrophobicContact CE2-CB 4.24Å; F98-H142 HydrophobicContact CZ-CB 3.99Å; F98-V145 HydrophobicContact CE2-CG2 3.73Å; F98-V145 HydrophobicContact CZ-CB 4.38Å; F98-V145 HydrophobicContact CZ-CG1 4.39Å; F98-V145 HydrophobicContact CZ-CG2 3.85Å; F98-Y258 CarbonylContact C-O 3.57Å; F98-Y258 WeakPolarHBondContact CA-O 3.46Å; F98-Y258 WeakPolarHBondContact CB-O 3.32Å; F98-F261 HydrophobicContact CD2-CE2 4.17Å; F98-F261 AromaticContact CD2-CZ 3.94Å; F98-F261 HydrophobicContact CD2-CZ 3.94Å; F98-F261 HydrophobicContact CE2-CZ 4.22Å; F98-I356 HydrophobicContact CB-CG2 4Å; F98-I356 HydrophobicContact CD1-CG2 3.93Å; F98-I356 HydrophobicContact CG-CG2 4.04Å; F98-R358 HydrophobicContact CD1-CG 4.18Å; F98-R358 VanDerWaalsContact CE1-NH1 3.26Å
99	S	97	Very high	96.5	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.021	21%	0.209	C	C	.	.			trans	-74.8	72.3	-178.9	-163.2	0	0	0	0	111.9	L101 V102 S103 Y258 E259 F261	S99-L101 PolarHBondContact O-N 3.35Å; S99-V102 WeakPolarHBondContact O-CB 3.47Å; S99-V102 PolarHBondContact O-N 3.34Å; S99-V102 VanDerWaalsContact OG-CG2 3.27Å; S99-V102 WeakPolarHBondContact OG-CG2 3.34Å; S99-S103 PolarHBondContact O-N 3.06Å; S99-Y258 WeakPolarHBondContact CB-O 3.1Å; S99-Y258 PolarHBondContact N-O 2.67Å; S99-E259 VanDerWaalsContact CB-O 3.28Å; S99-E259 WeakPolarHBondContact CB-O 3.46Å; S99-F261 WeakPolarHBondContact O-CE2 3.4Å
100	A	97.3	Very high	96.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.5	-30.5	176.3	0	0	0	0	0	112.3	L92 N96 F98 V102 S103 E104 H142	L92-A100 HydrophobicContact CB-CB 4.02Å; N96-A100 HydrophobicContact CB-CB 4.32Å; N96-A100 WeakPolarHBondContact ND2-CB 3.11Å; F98-A100 VanDerWaalsContact C-N 3.27Å; F98-A100 HydrophobicContact CD2-CB 4.19Å; F98-A100 HydrophobicContact CE2-CB 3.8Å; F98-A100 PolarHBondContact O-N 2.95Å; A100-V102 VanDerWaalsContact C-N 3.33Å; A100-V102 PolarHBondContact O-N 2.85Å; A100-S103 VanDerWaalsContact O-CB 3.31Å; A100-S103 WeakPolarHBondContact O-CB 3.43Å; A100-S103 PolarHBondContact O-N 3.38Å; A100-S103 VanDerWaalsContact O-N 3.13Å; A100-E104 PolarHBondContact O-N 3.19Å; A100-H142 HydrophobicContact CB-CB 4.39Å
101	L	97.7	Very high	96.8	Very high	9 Å²	9	37.2 Å²	37.2	5%	0.047	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-38.4	172.8	-174.4	58.6	0	0	0	112.4	L79 L83 L88 K89 L92 S99 S103 E104 Y105	L79-L101 HydrophobicContact CD1-CB 4.36Å; L79-L101 HydrophobicContact CD1-CD2 3.88Å; L79-L101 HydrophobicContact CD1-CG 4.15Å; L79-L101 HydrophobicContact CD2-CD2 4.42Å; L79-L101 HydrophobicContact CD2-CG 4.17Å; L83-L101 HydrophobicContact CB-CD2 4.4Å; L83-L101 HydrophobicContact CD2-CD2 4.44Å; L88-L101 HydrophobicContact CD2-CD1 3.93Å; L88-L101 HydrophobicContact CG-CD1 4.37Å; K89-L101 HydrophobicContact CB-CD2 3.82Å; L92-L101 HydrophobicContact CD1-CB 4.02Å; L92-L101 HydrophobicContact CD1-CD1 4.36Å; S99-L101 PolarHBondContact O-N 3.35Å; L101-S103 VanDerWaalsContact C-N 3.33Å; L101-E104 PolarHBondContact O-N 3.15Å; L101-Y105 HydrophobicContact CD1-CE2 4.06Å; L101-Y105 HydrophobicContact CG-CE2 4.3Å; L101-Y105 VanDerWaalsContact O-CD2 3.28Å; L101-Y105 WeakPolarHBondContact O-CD2 3.21Å
102	V	98	Very high	96.9	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-60.5	-45.4	172.7	159.6	0	0	0	0	110.1	Y77 L79 S99 A100 E104 Y105 L106 E259 F261	Y77-V102 HydrophobicContact CD1-CB 4.49Å; Y77-V102 HydrophobicContact CD1-CG1 4.02Å; Y77-V102 HydrophobicContact CD1-CG2 4.25Å; L79-V102 HydrophobicContact CD1-CG2 3.97Å; L79-V102 HydrophobicContact CD2-CG2 4Å; L79-V102 HydrophobicContact CG-CG2 3.63Å; S99-V102 WeakPolarHBondContact O-CB 3.47Å; S99-V102 PolarHBondContact O-N 3.34Å; S99-V102 VanDerWaalsContact OG-CG2 3.27Å; S99-V102 WeakPolarHBondContact OG-CG2 3.34Å; A100-V102 VanDerWaalsContact C-N 3.33Å; A100-V102 PolarHBondContact O-N 2.85Å; V102-E104 PolarHBondContact O-N 2.9Å; V102-Y105 PolarHBondContact O-N 2.82Å; V102-L106 HydrophobicContact CG1-CD1 4.17Å; V102-L106 HydrophobicContact CG1-CG 4.45Å; V102-L106 WeakPolarHBondContact O-CG 2.95Å; V102-E259 WeakPolarHBondContact CG2-O 3.38Å; V102-F261 HydrophobicContact CB-CD2 4.21Å; V102-F261 HydrophobicContact CG1-CB 4.02Å; V102-F261 HydrophobicContact CG1-CD2 3.63Å; V102-F261 HydrophobicContact CG1-CE2 4.38Å; V102-F261 HydrophobicContact CG1-CG 4Å
103	S	98.1	Very high	96.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-54.2	-38.2	177.5	-176.4	0	0	0	0	112.8	S99 A100 L101 Y105 L106 S144 V145 R148	S99-S103 PolarHBondContact O-N 3.06Å; A100-S103 VanDerWaalsContact O-CB 3.31Å; A100-S103 WeakPolarHBondContact O-CB 3.43Å; A100-S103 PolarHBondContact O-N 3.38Å; A100-S103 VanDerWaalsContact O-N 3.13Å; L101-S103 VanDerWaalsContact C-N 3.33Å; S103-Y105 PolarHBondContact O-N 3Å; S103-L106 PolarHBondContact O-N 3.44Å; S103-S144 WeakPolarHBondContact CB-OG 2.98Å; S103-S144 PolarHBondContact OG-OG 3.28Å; S103-V145 WeakPolarHBondContact OG-CG2 3.05Å; S103-R148 PolarHBondContact O-NH2 3.39Å; S103-R148 PolarHBondContact OG-NH2 2.95Å
104	E	97.2	Very high	96.9	Very high	101 Å²	101	34.1 Å²	34.1	47%	0.472	17%	0.166	S	C	.	.	H	α-helix	trans	-61.1	-26.3	178.7	-63.9	-52.8	113.2	0	0	113.9	A100 L101 V102 H142 S144	A100-E104 PolarHBondContact O-N 3.19Å; L101-E104 PolarHBondContact O-N 3.15Å; V102-E104 PolarHBondContact O-N 2.9Å; E104-H142 IonicContact OE1-CD2 3.59Å; E104-H142 PolarHBondContact OE1-CD2 3.15Å; E104-H142 IonicContact OE1-CE1 3.98Å; E104-H142 IonicContact OE1-NE2 2.57Å; E104-H142 PolarHBondContact OE1-NE2 3.06Å; E104-S144 WeakPolarHBondContact OE1-CB 3.33Å; E104-S144 PolarHBondContact OE1-OG 3.02Å
105	Y	97.2	Very high	97	Very high	100 Å²	100	29.5 Å²	29.5	39%	0.392	15%	0.148	S	C	.	.	H	α-helix	trans	-86.4	-11	177	-74.8	-87.3	0	0	0	113.6	P70 Y77 L79 L83 L101 V102 S103	P70-Y105 WeakPolarHBondContact CB-O 3.28Å; Y77-Y105 VanDerWaalsContact CE1-CB 3.43Å; Y77-Y105 HydrophobicContact CE1-CD1 4.44Å; Y77-Y105 HydrophobicContact CE1-CD2 4.1Å; Y77-Y105 AromaticContact CE1-CG 3.74Å; Y77-Y105 HydrophobicContact CE1-CG 3.74Å; Y77-Y105 WeakPolarHBondContact OH-CD1 3.48Å; L79-Y105 HydrophobicContact CD2-CD2 3.91Å; L79-Y105 HydrophobicContact CD2-CE2 3.97Å; L83-Y105 HydrophobicContact CD1-CE2 3.92Å; L83-Y105 WeakPolarHBondContact CD1-OH 3.48Å; L101-Y105 HydrophobicContact CD1-CE2 4.06Å; L101-Y105 HydrophobicContact CG-CE2 4.3Å; L101-Y105 VanDerWaalsContact O-CD2 3.28Å; L101-Y105 WeakPolarHBondContact O-CD2 3.21Å; V102-Y105 PolarHBondContact O-N 2.82Å; S103-Y105 PolarHBondContact O-N 3Å
106	L	98.4	Very high	97.2	Very high	8 Å²	8	25.8 Å²	25.8	4%	0.042	13%	0.13	C	C	.	.	S	Bend	trans	-94	133.9	-176.4	-55.4	-177.2	0	0	0	110.6	P70 Y77 V102 S103 L108 R148 F261	P70-L106 HydrophobicContact CB-CD2 3.92Å; P70-L106 WeakPolarHBondContact O-CD2 3.42Å; Y77-L106 HydrophobicContact CD1-CD2 4.38Å; Y77-L106 HydrophobicContact CG-CD2 4.11Å; V102-L106 HydrophobicContact CG1-CD1 4.17Å; V102-L106 HydrophobicContact CG1-CG 4.45Å; V102-L106 WeakPolarHBondContact O-CG 2.95Å; S103-L106 PolarHBondContact O-N 3.44Å; L106-L108 PolarHBondContact O-N 3.3Å; L106-R148 VanDerWaalsContact C-NH1 3.25Å; L106-R148 VanDerWaalsContact CB-NH1 3.33Å; L106-R148 PolarHBondContact O-NH1 3.43Å; L106-R148 PolarHBondContact O-NH2 3.18Å; L106-F261 HydrophobicContact CD1-CB 3.51Å; L106-F261 HydrophobicContact CD1-CD1 3.75Å; L106-F261 HydrophobicContact CD1-CG 3.79Å
107	A	98.5	Very high	97.2	Very high	41 Å²	41	28.7 Å²	28.7	34%	0.339	14%	0.143	S	C	.	.			trans	-60.1	127.8	176.3	0	0	0	0	0	111.9	N109 R110 R148	A107-N109 PolarHBondContact O-N 3.08Å; A107-R110 HydrophobicContact CB-CB 4.47Å; A107-R110 VanDerWaalsContact O-CB 3.32Å; A107-R110 WeakPolarHBondContact O-CB 3.42Å; A107-R110 PolarHBondContact O-N 2.97Å; A107-R148 PolarHBondContact O-NH1 3.03Å
108	L	98.5	Very high	97.3	Very high	41 Å²	41	38.3 Å²	38.3	22%	0.215	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-24.9	-177.5	-64.2	178.1	0	0	0	113.6	L106 S144 L147 R148 Y151	L106-L108 PolarHBondContact O-N 3.3Å; L108-S144 VanDerWaalsContact CD2-O 3.26Å; L108-S144 WeakPolarHBondContact CD2-O 3.14Å; L108-L147 HydrophobicContact CD1-CB 4.1Å; L108-L147 HydrophobicContact CD1-CD1 4.11Å; L108-L147 HydrophobicContact CD2-CB 4.03Å; L108-R148 HydrophobicContact CD2-CB 4.42Å; L108-R148 WeakPolarHBondContact O-CA 3.46Å; L108-R148 WeakPolarHBondContact O-CG 3.26Å; L108-Y151 HydrophobicContact CB-CD2 3.6Å; L108-Y151 HydrophobicContact CB-CE2 3.82Å; L108-Y151 HydrophobicContact CB-CG 4.23Å; L108-Y151 HydrophobicContact CD1-CD2 4.18Å; L108-Y151 HydrophobicContact CD1-CE2 3.7Å; L108-Y151 HydrophobicContact CG-CD2 4.48Å; L108-Y151 HydrophobicContact CG-CE2 4.41Å; L108-Y151 VanDerWaalsContact O-CB 3.28Å; L108-Y151 WeakPolarHBondContact O-CB 3.47Å
109	N	98.2	Very high	97.2	Very high	59 Å²	59	42.1 Å²	42.1	32%	0.316	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	28.5	176.4	66.9	-13	0	0	0	113	R67 A107 Y151	R67-N109 PolarHBondContact NH1-ND2 2.71Å; R67-N109 VanDerWaalsContact NH1-ND2 3.2Å; R67-N109 PolarHBondContact NH1-O 3.24Å; R67-N109 PolarHBondContact NH2-O 2.76Å; R67-N109 PolarHBondContact NH2-OD1 2.79Å; A107-N109 PolarHBondContact O-N 3.08Å; N109-Y151 HydrophobicContact CB-CD1 4.03Å; N109-Y151 HydrophobicContact CB-CG 4.45Å
110	R	98.6	Very high	97.3	Very high	1 Å²	1	42 Å²	42	0%	0.004	20%	0.199	C	C	.	.			trans	-52.1	142.2	-179.9	68.6	172.6	-174.5	164.1	-5.3	111.6	G71 E72 A107 R156 E228 F261	G71-R110 PolarHBondContact O-NH1 2.93Å; E72-R110 WeakPolarHBondContact OE1-CA 3.4Å; A107-R110 HydrophobicContact CB-CB 4.47Å; A107-R110 VanDerWaalsContact O-CB 3.32Å; A107-R110 WeakPolarHBondContact O-CB 3.42Å; A107-R110 PolarHBondContact O-N 2.97Å; R110-R156 PolarHBondContact O-NH2 2.84Å; R110-E228 IonicContact CZ-OE1 2.84Å; R110-E228 VanDerWaalsContact CZ-OE1 3.31Å; R110-E228 IonicContact CZ-OE2 3.69Å; R110-E228 IonicContact NE-OE1 3.81Å; R110-E228 PolarHBondContact NE-OE1 3.09Å; R110-E228 VanDerWaalsContact NE-OE1 3.15Å; R110-E228 IonicContact NE-OE2 3.65Å; R110-E228 PolarHBondContact NE-OE2 3.4Å; R110-E228 IonicContact NH2-OE1 2.71Å; R110-E228 PolarHBondContact NH2-OE1 2.93Å; R110-E228 IonicContact NH2-OE2 2.86Å; R110-F261 PolarHBondContact NH1-O 2.89Å; R110-F261 PolarHBondContact NH2-O 3.27Å
111	S	98.5	Very high	97.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.223	C	C	.	.			trans	-68.3	153.4	167.3	58.6	0	0	0	0	111	E72 Q73 G74	E72-S111 VanDerWaalsContact OE2-CB 3.29Å; E72-S111 WeakPolarHBondContact OE2-CB 3.44Å; E72-S111 PolarHBondContact OE2-N 3.47Å; E72-S111 PolarHBondContact OE2-OG 3.38Å; Q73-S111 PolarHBondContact N-O 2.97Å; Q73-S111 VanDerWaalsContact N-O 3.11Å; Q73-S111 PolarHBondContact N-OG 3.03Å; Q73-S111 PolarHBondContact NE2-OG 3.46Å; G74-S111 PolarHBondContact N-O 2.98Å
112	V	97.8	Very high	96.8	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	25%	0.246	C	C	.	.			trans	-124.5	158.4	172.2	-65.3	0	0	0	0	108.2	Y231 Y263	V112-Y231 HydrophobicContact CG2-CE2 4.29Å; V112-Y231 VanDerWaalsContact O-CE2 3.24Å; V112-Y231 WeakPolarHBondContact O-CE2 3.2Å; V112-Y231 PolarHBondContact O-OH 2.93Å; V112-Y231 VanDerWaalsContact O-OH 3.11Å; V112-Y263 HydrophobicContact CB-CD2 4.24Å; V112-Y263 HydrophobicContact CB-CG 4.34Å; V112-Y263 HydrophobicContact CG1-CD2 3.85Å; V112-Y263 HydrophobicContact CG1-CE2 4.32Å; V112-Y263 HydrophobicContact CG1-CG 4.28Å
113	K	94.4	Very high	96.7	Very high	66 Å²	66	50 Å²	50	29%	0.287	25%	0.252	S	S	.	.			trans	-72.2	143.9	171.2	59.5	-175.3	179	-145.4	0	110.7	Q73 V115 N230 E262 Y263	Q73-K113 PolarHBondContact O-N 3.21Å; K113-V115 HydrophobicContact CD-CG1 4.2Å; K113-V115 HydrophobicContact CG-CG1 3.71Å; K113-V115 PolarHBondContact O-N 3.07Å; K113-N230 PolarHBondContact O-ND2 3.37Å; K113-E262 IonicContact NZ-OE1 3.95Å; K113-Y263 WeakPolarHBondContact CE-O 3.25Å; K113-Y263 PolarHBondContact NZ-O 2.86Å
114	D	96.1	Very high	96.6	Very high	61 Å²	61	54.1 Å²	54.1	33%	0.326	27%	0.274	S	S	.	.			trans	-72.9	112.6	167.8	-169.3	-13.2	0	0	0	109	R116 L121 Y231	D114-R116 VanDerWaalsContact OD1-CB 3.3Å; D114-R116 WeakPolarHBondContact OD1-CB 3.3Å; D114-R116 VanDerWaalsContact OD1-CG 3.27Å; D114-R116 WeakPolarHBondContact OD1-CG 3.45Å; D114-R116 IonicContact OD1-CZ 2.64Å; D114-R116 PolarHBondContact OD1-N 3.14Å; D114-R116 IonicContact OD1-NE 2.71Å; D114-R116 PolarHBondContact OD1-NE 3.13Å; D114-R116 IonicContact OD1-NH2 3.49Å; D114-R116 IonicContact OD2-CZ 3.92Å; D114-R116 IonicContact OD2-NE 3.39Å; D114-R116 PolarHBondContact OD2-NE 3.14Å; D114-R116 IonicContact OD2-NH2 3.72Å; D114-R116 PolarHBondContact OD2-NH2 2.97Å; D114-L121 WeakPolarHBondContact OD2-CD2 3.3Å; D114-Y231 HydrophobicContact CB-CD2 4.01Å; D114-Y231 HydrophobicContact CB-CE2 4.47Å
115	V	96	Very high	96.6	Very high	28 Å²	28	49.8 Å²	49.8	17%	0.17	25%	0.253	C	S	.	.			trans	-104.6	2.6	-177.3	-60.9	0	0	0	0	113.5	K113 D254 Y263 I265 H352	K113-V115 HydrophobicContact CD-CG1 4.2Å; K113-V115 HydrophobicContact CG-CG1 3.71Å; K113-V115 PolarHBondContact O-N 3.07Å; V115-D254 VanDerWaalsContact CG2-OD2 3.29Å; V115-D254 WeakPolarHBondContact CG2-OD2 3.46Å; V115-Y263 HydrophobicContact CG1-CD1 4.11Å; V115-Y263 HydrophobicContact CG1-CE1 3.93Å; V115-Y263 HydrophobicContact CG2-CE1 3.89Å; V115-I265 HydrophobicContact CB-CG2 3.43Å; V115-I265 VanDerWaalsContact CB-CG2 3.43Å; V115-I265 HydrophobicContact CG1-CG2 4Å; V115-I265 HydrophobicContact CG2-CG2 3.66Å; V115-H352 HydrophobicContact CG2-CB 4.48Å; V115-H352 WeakPolarHBondContact CG2-ND1 3.37Å
116	R	96.3	Very high	96.7	Very high	19 Å²	19	45.9 Å²	45.9	7%	0.072	24%	0.238	C	C	.	.	S	Bend	trans	-64.7	154.3	-175.3	-63.4	174.5	-65	165.2	-3.2	110.3	E56 D114 R118 C120 Y231 C350	E56-R116 IonicContact OE1-CZ 3.84Å; E56-R116 IonicContact OE1-NH1 3.79Å; E56-R116 PolarHBondContact OE1-NH1 2.78Å; E56-R116 IonicContact OE1-NH2 2.78Å; E56-R116 PolarHBondContact OE1-NH2 3.38Å; E56-R116 IonicContact OE2-CZ 2.92Å; E56-R116 IonicContact OE2-NH1 3.32Å; E56-R116 PolarHBondContact OE2-NH1 3.06Å; E56-R116 IonicContact OE2-NH2 2.71Å; E56-R116 PolarHBondContact OE2-NH2 3.07Å; D114-R116 VanDerWaalsContact OD1-CB 3.3Å; D114-R116 WeakPolarHBondContact OD1-CB 3.3Å; D114-R116 VanDerWaalsContact OD1-CG 3.27Å; D114-R116 WeakPolarHBondContact OD1-CG 3.45Å; D114-R116 IonicContact OD1-CZ 2.64Å; D114-R116 PolarHBondContact OD1-N 3.14Å; D114-R116 IonicContact OD1-NE 2.71Å; D114-R116 PolarHBondContact OD1-NE 3.13Å; D114-R116 IonicContact OD1-NH2 3.49Å; D114-R116 IonicContact OD2-CZ 3.92Å; D114-R116 IonicContact OD2-NE 3.39Å; D114-R116 PolarHBondContact OD2-NE 3.14Å; D114-R116 IonicContact OD2-NH2 3.72Å; D114-R116 PolarHBondContact OD2-NH2 2.97Å; R116-R118 PolarHBondContact O-N 2.61Å; R116-C120 HydrophobicContact CB-CB 4.04Å; R116-Y231 PolarHBondContact NH1-O 2.81Å; R116-C350 WeakPolarHBondContact CD-O 3.42Å
117	H	96.3	Very high	96.6	Very high	61 Å²	61	46.8 Å²	46.8	28%	0.282	25%	0.246	S	C	.	.			trans	-61	140.7	171.2	-171.4	-94	0	0	0	110.1	L119 C120 P293	H117-L119 WeakPolarHBondContact ND1-CB 3.3Å; H117-L119 PolarHBondContact ND1-N 3.13Å; H117-L119 PolarHBondContact O-N 2.65Å; H117-C120 WeakPolarHBondContact O-CB 3.31Å; H117-C120 PolarHBondContact O-N 3.08Å; H117-P293 VanDerWaalsContact CE1-CG 3.42Å; H117-P293 WeakPolarHBondContact CE1-CG 3.45Å
118	R	96.1	Very high	96.5	Very high	202 Å²	202	53.2 Å²	53.2	76%	0.762	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-52	-27.7	-178.3	62.2	178.3	166.5	154.6	-2.8	115.2	R116 C120 L121	R116-R118 PolarHBondContact O-N 2.61Å; R118-C120 VanDerWaalsContact C-N 3.25Å; R118-C120 PolarHBondContact O-N 3.26Å; R118-L121 PolarHBondContact O-N 2.97Å
119	L	96	Very high	96.5	Very high	81 Å²	81	52.2 Å²	52.2	42%	0.424	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-77.6	-8.1	178.2	-63.6	177.5	0	0	0	113.8	H117 Q123 P293 N294	H117-L119 WeakPolarHBondContact ND1-CB 3.3Å; H117-L119 PolarHBondContact ND1-N 3.13Å; H117-L119 PolarHBondContact O-N 2.65Å; L119-Q123 WeakPolarHBondContact O-CG 3.26Å; L119-Q123 PolarHBondContact O-NE2 3.22Å; L119-P293 HydrophobicContact CD1-CG 4.09Å; L119-N294 HydrophobicContact CB-CB 3.73Å
120	C	97.3	Very high	96.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-78	-29.4	170.8	-67.4	0	0	0	0	112.1	R116 H117 R118 G122 Q123 C350	R116-C120 HydrophobicContact CB-CB 4.04Å; H117-C120 WeakPolarHBondContact O-CB 3.31Å; H117-C120 PolarHBondContact O-N 3.08Å; R118-C120 VanDerWaalsContact C-N 3.25Å; R118-C120 PolarHBondContact O-N 3.26Å; C120-G122 PolarHBondContact O-N 2.93Å; C120-Q123 WeakPolarHBondContact O-CB 3.38Å; C120-Q123 WeakPolarHBondContact O-CG 3.34Å; C120-Q123 PolarHBondContact O-N 3.08Å; C120-Q123 VanDerWaalsContact O-N 3.11Å; C120-C350 WeakPolarHBondContact CA-SG 3.43Å; C120-C350 HydrophobicContact CB-CB 3.63Å; C120-C350 WeakPolarHBondContact CB-SG 3.43Å; C120-C350 WeakPolarHBondContact SG-CA 3.45Å; C120-C350 WeakPolarHBondContact SG-CB 3.47Å; C120-C350 CovalentContact SG-SG 2.04Å; C120-C350 PolarHBondContact SG-SG 2.92Å
121	L	94.6	Very high	96.5	Very high	96 Å²	96	55.2 Å²	55.2	50%	0.503	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	124.7	177.8	-55.1	179.6	0	0	0	109.5	D114 R118 Q123	D114-L121 WeakPolarHBondContact OD2-CD2 3.3Å; R118-L121 PolarHBondContact O-N 2.97Å; L121-Q123 VanDerWaalsContact C-N 3.33Å
122	G	90.2	Very high	96.5	Very high	52 Å²	52	55.2 Å²	55.2	54%	0.536	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	10.8	-176.5	0	0	0	0	0	114.9	C120 L124	C120-G122 PolarHBondContact O-N 2.93Å; G122-L124 PolarHBondContact O-N 2.04Å
123	Q	95.6	Very high	96.6	Very high	33 Å²	33	55.1 Å²	55.1	15%	0.154	27%	0.273	C	S	.	.			trans	-60.1	132.2	165.6	-75	-72.8	-56.3	0	0	109.4	L119 C120 L121 Y125 N294	L119-Q123 WeakPolarHBondContact O-CG 3.26Å; L119-Q123 PolarHBondContact O-NE2 3.22Å; C120-Q123 WeakPolarHBondContact O-CB 3.38Å; C120-Q123 WeakPolarHBondContact O-CG 3.34Å; C120-Q123 PolarHBondContact O-N 3.08Å; C120-Q123 VanDerWaalsContact O-N 3.11Å; L121-Q123 VanDerWaalsContact C-N 3.33Å; Q123-Y125 HydrophobicContact CB-CE1 4.33Å; Q123-Y125 HydrophobicContact CB-CE2 4Å; Q123-Y125 WeakPolarHBondContact CB-OH 3.36Å; Q123-N294 PolarHBondContact NE2-ND2 3.38Å
124	L	97.2	Very high	96.8	Very high	85 Å²	85	52 Å²	52	45%	0.445	26%	0.26	S	S	.	.			trans	-98.2	141.6	171.5	-49.7	179.1	0	0	0	109.7	L52 D54 G122	L52-L124 HydrophobicContact CB-CB 3.82Å; L52-L124 HydrophobicContact CB-CD1 4.28Å; L52-L124 HydrophobicContact CD1-CB 4.35Å; D54-L124 HydrophobicContact CB-CD2 3.76Å; G122-L124 PolarHBondContact O-N 2.04Å
125	Y	97.8	Very high	96.9	Very high	11 Å²	11	49.1 Å²	49.1	4%	0.043	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	169.8	177.5	-54	-78.4	0	0	0	109.3	L52 K53 Q123 A127 P235 P236 D239	L52-Y125 CarbonylContact C-O 3.48Å; L52-Y125 WeakPolarHBondContact CA-O 3.41Å; K53-Y125 PolarHBondContact N-O 3.24Å; K53-Y125 PolarHBondContact O-N 3.1Å; K53-Y125 VanDerWaalsContact O-N 3.12Å; Q123-Y125 HydrophobicContact CB-CE1 4.33Å; Q123-Y125 HydrophobicContact CB-CE2 4Å; Q123-Y125 WeakPolarHBondContact CB-OH 3.36Å; Y125-A127 PolarHBondContact O-N 3.41Å; Y125-P235 HydrophobicContact CD2-CB 3.78Å; Y125-P235 HydrophobicContact CE2-CB 4.28Å; Y125-P235 HydrophobicContact CG-CB 4.1Å; Y125-P236 HydrophobicContact CE1-CB 3.7Å; Y125-P236 HydrophobicContact CE1-CG 4.46Å; Y125-D239 HydrophobicContact CD1-CB 3.71Å; Y125-D239 HydrophobicContact CG-CB 4.29Å
126	K	97.5	Very high	97.1	Very high	18 Å²	18	47.8 Å²	47.8	8%	0.078	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.4	138.8	173.4	-70.1	-175.6	-174.4	-162.6	0	111.3	Q50 W55 E128 L129 D239 A242 R243	Q50-K126 HydrophobicContact CG-CD 4.4Å; Q50-K126 HydrophobicContact CG-CG 4.38Å; W55-K126 PolarHBondContact NE1-O 2.94Å; K126-E128 VanDerWaalsContact C-N 3.33Å; K126-L129 HydrophobicContact CB-CD2 3.97Å; K126-L129 HydrophobicContact CB-CG 4.45Å; K126-L129 WeakPolarHBondContact O-CG 3.32Å; K126-D239 PolarHBondContact N-OD1 2.96Å; K126-A242 HydrophobicContact CD-CB 3.95Å; K126-A242 PolarHBondContact NZ-O 2.96Å; K126-R243 VanDerWaalsContact CE-CG 3.45Å
127	A	97.1	Very high	97.2	Very high	26 Å²	26	47.1 Å²	47.1	22%	0.215	23%	0.234	C	C	.	.	S	Bend	trans	-69	-34.6	174.2	0	0	0	0	0	111.7	E51 K53 W55 Y125	E51-A127 HydrophobicContact CB-CB 3.97Å; E51-A127 HydrophobicContact CG-CB 3.97Å; E51-A127 WeakPolarHBondContact O-CB 3.47Å; E51-A127 PolarHBondContact O-N 2.87Å; K53-A127 HydrophobicContact CB-CB 3.97Å; W55-A127 VanDerWaalsContact CZ2-O 3.32Å; W55-A127 WeakPolarHBondContact CZ2-O 3.44Å; Y125-A127 PolarHBondContact O-N 3.41Å
128	E	96.7	Very high	97.2	Very high	176 Å²	176	44.4 Å²	44.4	82%	0.822	22%	0.222	S	C	*	.	S	Bend	trans	-97.3	108.6	172.7	-64.9	-177.7	174.1	0	0	109.9	K126	K126-E128 VanDerWaalsContact C-N 3.33Å
129	L	98.3	Very high	97.3	Very high	20 Å²	20	36.4 Å²	36.4	11%	0.105	19%	0.193	C	C	.	.			trans	-120.4	146.1	175.3	-68.6	173.4	0	0	0	110	W55 K126 L161 P235 L238 D239 A242	W55-L129 HydrophobicContact CZ2-CB 4.5Å; W55-L129 HydrophobicContact CZ2-CD1 3.92Å; W55-L129 HydrophobicContact CZ2-CG 4.29Å; K126-L129 HydrophobicContact CB-CD2 3.97Å; K126-L129 HydrophobicContact CB-CG 4.45Å; K126-L129 WeakPolarHBondContact O-CG 3.32Å; L129-L161 HydrophobicContact CB-CD1 4.28Å; L129-L161 HydrophobicContact CB-CD2 3.7Å; L129-L161 HydrophobicContact CD1-CD1 4.03Å; L129-P235 HydrophobicContact CD1-CB 3.88Å; L129-L238 HydrophobicContact CB-CB 4.4Å; L129-L238 HydrophobicContact CB-CD1 4.36Å; L129-L238 HydrophobicContact CD1-CB 4.39Å; L129-L238 HydrophobicContact CD2-CB 4.03Å; L129-D239 HydrophobicContact CD2-CB 4.21Å; L129-A242 HydrophobicContact CD2-CB 4.02Å
130	P	98.4	Very high	97.3	Very high	20 Å²	20	34.3 Å²	34.3	13%	0.13	18%	0.182	C	C	.	.			trans	-68.6	150.5	-178.1	28.8	-36.3	0	0	0	112	E218 V219 L238	P130-E218 HydrophobicContact CB-CB 3.91Å; P130-V219 HydrophobicContact CB-CG2 3.9Å; P130-V219 HydrophobicContact CG-CG2 3.57Å; P130-L238 WeakPolarHBondContact O-CD1 3.41Å
131	R	98.7	Very high	97.3	Very high	103 Å²	103	34.5 Å²	34.5	39%	0.389	18%	0.183	S	C	.	.			trans	-78.6	148.4	176.4	-60.9	-174.6	74.8	-156.5	3.3	111.9	E160 L161 Q163 E218 V219	R131-E160 PolarHBondContact NE-O 3.28Å; R131-L161 CarbonylContact C-O 3.56Å; R131-L161 WeakPolarHBondContact CA-O 3.38Å; R131-Q163 HydrophobicContact CB-CB 4.1Å; R131-E218 PolarHBondContact N-OE2 3.18Å; R131-E218 PolarHBondContact O-N 3.25Å; R131-V219 PolarHBondContact O-N 2.86Å
132	V	98.9	Very high	97.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.7	-168.8	-43.3	0	0	0	0	113.5	V134 L161 L162 Q163 E164 S217 V219 V221 L234 L238	V132-V134 HydrophobicContact CG2-CG2 4.15Å; V132-L161 PolarHBondContact N-O 3.45Å; V132-L162 HydrophobicContact CG2-CD1 4.05Å; V132-Q163 WeakPolarHBondContact O-CB 3.36Å; V132-Q163 PolarHBondContact O-N 2.81Å; V132-E164 PolarHBondContact O-N 3.02Å; V132-S217 PolarHBondContact O-OG 3.2Å; V132-V219 CarbonylContact C-O 3.57Å; V132-V219 VanDerWaalsContact CA-O 3.3Å; V132-V219 WeakPolarHBondContact CA-O 3.21Å; V132-V219 HydrophobicContact CG1-CB 4.13Å; V132-V219 HydrophobicContact CG1-CG1 4.35Å; V132-V221 HydrophobicContact CB-CG2 4.1Å; V132-V221 HydrophobicContact CG1-CG2 4.38Å; V132-V221 HydrophobicContact CG2-CG2 4.42Å; V132-L234 HydrophobicContact CG1-CD1 4.24Å; V132-L234 HydrophobicContact CG1-CD2 4.49Å; V132-L234 HydrophobicContact CG2-CD1 4.28Å; V132-L234 HydrophobicContact CG2-CD2 3.95Å; V132-L238 HydrophobicContact CG1-CD1 3.55Å; V132-L238 HydrophobicContact CG1-CD2 3.5Å; V132-L238 VanDerWaalsContact CG1-CD2 3.5Å; V132-L238 HydrophobicContact CG1-CG 4.12Å
133	A	98.9	Very high	97.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.2	156.3	0	0	0	0	0	109.9	E164 S215 S217 V219 L220 V221	A133-E164 VanDerWaalsContact CA-O 3.3Å; A133-E164 WeakPolarHBondContact CA-O 3.12Å; A133-E164 HydrophobicContact CB-CG 3.59Å; A133-S215 WeakPolarHBondContact CB-OG 3.41Å; A133-S217 WeakPolarHBondContact CB-OG 2.95Å; A133-S217 PolarHBondContact N-OG 3.29Å; A133-V219 PolarHBondContact N-O 2.88Å; A133-L220 HydrophobicContact CB-CD2 4.39Å; A133-V221 PolarHBondContact O-N 2.82Å
134	V	98.9	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	113.7	171.3	-172.4	0	0	0	0	109.1	V132 I136 I153 L162 E164 I165 I166 V221 L223 W233	V132-V134 HydrophobicContact CG2-CG2 4.15Å; V134-I136 HydrophobicContact CG1-CG1 4.23Å; V134-I153 HydrophobicContact CB-CG2 4.37Å; V134-I153 HydrophobicContact CG1-CD1 3.79Å; V134-I153 HydrophobicContact CG1-CG1 4.45Å; V134-I153 HydrophobicContact CG2-CG2 3.91Å; V134-L162 HydrophobicContact CG2-CD1 3.76Å; V134-E164 PolarHBondContact N-O 3.14Å; V134-I165 HydrophobicContact CB-CG1 4.36Å; V134-I165 CarbonylContact O-C 3.55Å; V134-I165 WeakPolarHBondContact O-CA 3.08Å; V134-I166 PolarHBondContact O-N 3.39Å; V134-V221 CarbonylContact C-O 3.34Å; V134-V221 WeakPolarHBondContact CA-O 3.42Å; V134-V221 HydrophobicContact CG2-CB 4.26Å; V134-L223 HydrophobicContact CG1-CD1 3.64Å; V134-L223 HydrophobicContact CG1-CG 3.96Å; V134-W233 HydrophobicContact CG2-CH2 4.41Å
135	I	98.9	Very high	98	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122	-177.8	-62.3	159.2	0	0	0	109.1	I166 A212 L220 V221 F222 L223	I135-I166 HydrophobicContact CG1-CB 4.49Å; I135-A212 HydrophobicContact CD1-CB 4Å; I135-L220 HydrophobicContact CD1-CB 4.17Å; I135-L220 HydrophobicContact CD1-CD1 4.39Å; I135-L220 HydrophobicContact CD1-CD2 4.06Å; I135-L220 HydrophobicContact CD1-CG 4.43Å; I135-V221 PolarHBondContact N-O 3.4Å; I135-F222 HydrophobicContact CB-CD1 3.86Å; I135-F222 HydrophobicContact CB-CE1 3.96Å; I135-F222 HydrophobicContact CD1-CD1 4.25Å; I135-F222 HydrophobicContact CD1-CE1 3.59Å; I135-F222 HydrophobicContact CD1-CE2 4.44Å; I135-F222 HydrophobicContact CD1-CZ 3.73Å; I135-F222 HydrophobicContact CG1-CE1 4.41Å; I135-F222 HydrophobicContact CG2-CD1 3.9Å; I135-F222 HydrophobicContact CG2-CE1 3.85Å; I135-L223 PolarHBondContact O-N 3.02Å
136	I	98.9	Very high	98	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	94.7	-176.7	-53.1	176.8	0	0	0	108.4	V134 L146 T149 V150 I153 I165 I166 L167 A168 S225	V134-I136 HydrophobicContact CG1-CG1 4.23Å; I136-L146 HydrophobicContact CG2-CD1 4.24Å; I136-T149 HydrophobicContact CD1-CG2 3.97Å; I136-V150 HydrophobicContact CD1-CG2 4.45Å; I136-I153 HydrophobicContact CD1-CD1 3.5Å; I136-I153 VanDerWaalsContact CD1-CD1 3.5Å; I136-I153 HydrophobicContact CG1-CD1 4.42Å; I136-I165 HydrophobicContact CD1-CG2 3.82Å; I136-I165 HydrophobicContact CG1-CG2 4.42Å; I136-I166 PolarHBondContact N-O 2.71Å; I136-L167 HydrophobicContact CB-CD2 3.9Å; I136-L167 HydrophobicContact CD1-CD2 3.73Å; I136-L167 HydrophobicContact CG1-CD2 4.25Å; I136-L167 HydrophobicContact CG2-CD2 4.39Å; I136-A168 PolarHBondContact O-N 3.47Å; I136-S225 VanDerWaalsContact CG2-CA 3.5Å
137	P	98.4	Very high	98.1	Very high	5 Å²	5	23 Å²	23	3%	0.032	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	136.4	170.4	32.5	-36	0	0	0	109.6	A168 L204 T207 R208 L223 S225	P137-A168 WeakPolarHBondContact CA-O 3.3Å; P137-L204 HydrophobicContact CB-CD1 3.82Å; P137-L204 HydrophobicContact CG-CD1 3.46Å; P137-L204 VanDerWaalsContact CG-CD1 3.46Å; P137-T207 HydrophobicContact CB-CG2 3.66Å; P137-R208 HydrophobicContact CB-CG 4.18Å; P137-R208 HydrophobicContact CG-CG 3.74Å; P137-L223 WeakPolarHBondContact CD-O 3.18Å; P137-S225 PolarHBondContact O-OG 2.69Å
138	F	97.9	Very high	98.2	Very high	5 Å²	5	22 Å²	22	2%	0.022	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.6	175.7	73.6	-84.8	0	0	0	111.8	E141 L146 L167 A168 D169 D170 L177 L181	F138-E141 HydrophobicContact CB-CB 4.15Å; F138-L146 HydrophobicContact CB-CD1 4.4Å; F138-L146 HydrophobicContact CD1-CD2 4.49Å; F138-L146 HydrophobicContact CD2-CD2 4.14Å; F138-L146 HydrophobicContact CE2-CD2 4.2Å; F138-L146 HydrophobicContact CG-CD1 4.44Å; F138-L146 HydrophobicContact CG-CD2 4.28Å; F138-L146 HydrophobicContact CZ-CD2 4.38Å; F138-L167 HydrophobicContact CD1-CB 4.26Å; F138-L167 HydrophobicContact CE1-CB 3.77Å; F138-A168 WeakPolarHBondContact CD1-O 3.44Å; F138-A168 PolarHBondContact N-O 2.78Å; F138-D169 VanDerWaalsContact CE1-CA 3.5Å; F138-D169 HydrophobicContact CE1-CB 3.69Å; F138-D169 HydrophobicContact CE2-CB 3.96Å; F138-D169 HydrophobicContact CZ-CB 3.37Å; F138-D170 WeakPolarHBondContact O-CB 3.33Å; F138-D170 PolarHBondContact O-N 2.83Å; F138-L177 HydrophobicContact CD2-CD1 4.27Å; F138-L177 HydrophobicContact CE2-CB 4.32Å; F138-L177 HydrophobicContact CE2-CD1 4.11Å; F138-L177 HydrophobicContact CE2-CD2 4.24Å; F138-L177 HydrophobicContact CE2-CG 4.47Å; F138-L181 HydrophobicContact CE2-CD2 4.28Å; F138-L181 HydrophobicContact CZ-CD2 3.83Å
139	H	96.4	Very high	98.3	Very high	33 Å²	33	13.7 Å²	13.7	15%	0.153	7%	0.065	C	C	.	.	S	Bend	trans	-141.1	115.8	170.4	177.9	74.6	0	0	0	108.8	E141 D170 F171 R201	H139-E141 PolarHBondContact O-N 3.37Å; H139-E141 VanDerWaalsContact O-N 3.14Å; H139-D170 HydrophobicContact CB-CB 4.1Å; H139-D170 PolarHBondContact ND1-O 2.82Å; H139-F171 PolarHBondContact CE1-O 3.11Å; H139-R201 PolarHBondContact CD2-NH1 3.22Å; H139-R201 PolarHBondContact CD2-NH2 2.78Å; H139-R201 VanDerWaalsContact CD2-NH2 3.29Å; H139-R201 PolarHBondContact CE1-NH1 2.92Å; H139-R201 PolarHBondContact ND1-NH1 3.15Å; H139-R201 PolarHBondContact NE2-NH1 2.69Å
140	N	96.2	Very high	98.3	Very high	38 Å²	38	12.7 Å²	12.7	20%	0.203	6%	0.06	C	C	.	.	S	Bend	trans	50	39.3	179.9	-73.6	-14.3	0	0	0	112.1	S172 S173 Q174	N140-S172 PolarHBondContact N-OG 2.8Å; N140-S172 VanDerWaalsContact OD1-CA 3.27Å; N140-S172 WeakPolarHBondContact OD1-CA 3.35Å; N140-S172 WeakPolarHBondContact OD1-CB 3.43Å; N140-S173 PolarHBondContact ND2-OG 3.44Å; N140-S173 PolarHBondContact OD1-N 3.26Å; N140-S173 PolarHBondContact OD1-OG 2.96Å; N140-Q174 VanDerWaalsContact C-NE2 3.31Å; N140-Q174 HydrophobicContact CB-CG 4.07Å; N140-Q174 PolarHBondContact O-NE2 3.5Å; N140-Q174 PolarHBondContact OD1-N 3.04Å
141	E	97.6	Very high	98.3	Very high	3 Å²	3	13.5 Å²	13.5	1%	0.014	6%	0.061	C	C	.	.			trans	-74.7	140.7	176	-167.4	65.5	-100.6	0	0	110.3	F138 H139 L143 L146 L177 S225 H226 R358	F138-E141 HydrophobicContact CB-CB 4.15Å; H139-E141 PolarHBondContact O-N 3.37Å; H139-E141 VanDerWaalsContact O-N 3.14Å; E141-L143 PolarHBondContact O-N 3.12Å; E141-L146 HydrophobicContact CB-CB 4.42Å; E141-L146 HydrophobicContact CG-CB 4.14Å; E141-L177 WeakPolarHBondContact O-CD1 3.47Å; E141-L177 WeakPolarHBondContact O-CD2 3.5Å; E141-S225 PolarHBondContact OE2-OG 2.98Å; E141-H226 IonicContact OE1-ND1 3.18Å; E141-H226 IonicContact OE2-CE1 3.66Å; E141-H226 PolarHBondContact OE2-CE1 3.03Å; E141-H226 IonicContact OE2-CG 2.7Å; E141-H226 IonicContact OE2-ND1 3.05Å; E141-H226 PolarHBondContact OE2-ND1 3Å; E141-R358 IonicContact OE1-CZ 2.76Å; E141-R358 IonicContact OE1-NH1 3.51Å; E141-R358 IonicContact OE1-NH2 3.79Å; E141-R358 PolarHBondContact OE1-NH2 3.32Å; E141-R358 IonicContact OE2-NH2 3.07Å; E141-R358 PolarHBondContact OE2-NH2 3.34Å
142	H	97.6	Very high	98.3	Very high	15 Å²	15	8.8 Å²	8.8	7%	0.069	4%	0.043	C	C	.	.			trans	-61.7	129.3	177.1	-164.4	65.5	0	0	0	111.1	F98 A100 E104 S144 V145 L146	F98-H142 HydrophobicContact CE2-CB 4.24Å; F98-H142 HydrophobicContact CZ-CB 3.99Å; A100-H142 HydrophobicContact CB-CB 4.39Å; E104-H142 IonicContact OE1-CD2 3.59Å; E104-H142 PolarHBondContact OE1-CD2 3.15Å; E104-H142 IonicContact OE1-CE1 3.98Å; E104-H142 IonicContact OE1-NE2 2.57Å; E104-H142 PolarHBondContact OE1-NE2 3.06Å; H142-S144 PolarHBondContact CD2-OG 2.83Å; H142-S144 VanDerWaalsContact CD2-OG 3.23Å; H142-S144 PolarHBondContact O-N 2.73Å; H142-V145 HydrophobicContact CB-CB 4.38Å; H142-V145 HydrophobicContact CB-CG2 4.31Å; H142-V145 WeakPolarHBondContact O-CB 3.45Å; H142-V145 PolarHBondContact O-N 3.33Å; H142-L146 PolarHBondContact O-N 3.48Å
143	L	98.1	Very high	98.3	Very high	20 Å²	20	8.8 Å²	8.8	11%	0.105	4%	0.043	C	C	.	.	H	α-helix	trans	-56.1	-46.7	-168.1	179.9	64.3	0	0	0	113.3	E141 V145 L146 L147 D176 L177 Q180 L181	E141-L143 PolarHBondContact O-N 3.12Å; L143-V145 PolarHBondContact O-N 3.46Å; L143-L146 PolarHBondContact O-N 3.05Å; L143-L147 HydrophobicContact CD1-CD1 3.93Å; L143-L147 HydrophobicContact CD1-CD2 4.44Å; L143-L147 HydrophobicContact CD1-CG 3.91Å; L143-L147 HydrophobicContact CD2-CD1 4.44Å; L143-L147 HydrophobicContact CG-CD1 3.88Å; L143-L147 HydrophobicContact CG-CG 4.25Å; L143-L147 WeakPolarHBondContact O-CB 3.3Å; L143-L147 WeakPolarHBondContact O-CG 3.27Å; L143-L147 PolarHBondContact O-N 3.34Å; L143-D176 HydrophobicContact CD2-CB 4.26Å; L143-L177 HydrophobicContact CD1-CD2 4.29Å; L143-Q180 HydrophobicContact CD2-CG 4.46Å; L143-L181 HydrophobicContact CD1-CD1 3.93Å
144	S	98.2	Very high	98.3	Very high	10 Å²	10	10.3 Å²	10.3	7%	0.07	5%	0.053	C	C	.	.	H	α-helix	trans	-64.8	-30.2	-179.3	63.8	0	0	0	0	112.9	S103 E104 L108 H142 R148	S103-S144 WeakPolarHBondContact CB-OG 2.98Å; S103-S144 PolarHBondContact OG-OG 3.28Å; E104-S144 WeakPolarHBondContact OE1-CB 3.33Å; E104-S144 PolarHBondContact OE1-OG 3.02Å; L108-S144 VanDerWaalsContact CD2-O 3.26Å; L108-S144 WeakPolarHBondContact CD2-O 3.14Å; H142-S144 PolarHBondContact CD2-OG 2.83Å; H142-S144 VanDerWaalsContact CD2-OG 3.23Å; H142-S144 PolarHBondContact O-N 2.73Å; S144-R148 WeakPolarHBondContact O-CB 3.45Å; S144-R148 PolarHBondContact O-N 3.38Å
145	V	98.5	Very high	98.3	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.024	7%	0.068	C	C	.	.	H	α-helix	trans	-73.8	-44	176.4	172.1	0	0	0	0	111	F98 S103 H142 L143 R148 T149 H226 F261 I356	F98-V145 HydrophobicContact CE2-CG2 3.73Å; F98-V145 HydrophobicContact CZ-CB 4.38Å; F98-V145 HydrophobicContact CZ-CG1 4.39Å; F98-V145 HydrophobicContact CZ-CG2 3.85Å; S103-V145 WeakPolarHBondContact OG-CG2 3.05Å; H142-V145 HydrophobicContact CB-CB 4.38Å; H142-V145 HydrophobicContact CB-CG2 4.31Å; H142-V145 WeakPolarHBondContact O-CB 3.45Å; H142-V145 PolarHBondContact O-N 3.33Å; L143-V145 PolarHBondContact O-N 3.46Å; V145-R148 PolarHBondContact O-N 2.97Å; V145-T149 PolarHBondContact O-N 2.9Å; V145-T149 PolarHBondContact O-OG1 3.2Å; V145-H226 HydrophobicContact CG1-CB 3.39Å; V145-F261 HydrophobicContact CG2-CE1 4.13Å; V145-F261 HydrophobicContact CG2-CZ 4.1Å; V145-I356 HydrophobicContact CG1-CD1 3.7Å; V145-I356 HydrophobicContact CG2-CD1 4.17Å
146	L	98.7	Very high	98.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.3	-48.4	174.7	178.7	61.8	0	0	0	111	I136 F138 E141 H142 L143 R148 T149 V150 L167 L177 L181	I136-L146 HydrophobicContact CG2-CD1 4.24Å; F138-L146 HydrophobicContact CB-CD1 4.4Å; F138-L146 HydrophobicContact CD1-CD2 4.49Å; F138-L146 HydrophobicContact CD2-CD2 4.14Å; F138-L146 HydrophobicContact CE2-CD2 4.2Å; F138-L146 HydrophobicContact CG-CD1 4.44Å; F138-L146 HydrophobicContact CG-CD2 4.28Å; F138-L146 HydrophobicContact CZ-CD2 4.38Å; E141-L146 HydrophobicContact CB-CB 4.42Å; E141-L146 HydrophobicContact CG-CB 4.14Å; H142-L146 PolarHBondContact O-N 3.48Å; L143-L146 PolarHBondContact O-N 3.05Å; L146-R148 PolarHBondContact O-N 3.42Å; L146-T149 VanDerWaalsContact O-CB 3.27Å; L146-T149 WeakPolarHBondContact O-CB 3.18Å; L146-T149 PolarHBondContact O-N 2.04Å; L146-V150 PolarHBondContact O-N 3.18Å; L146-V150 VanDerWaalsContact O-N 3.17Å; L146-L167 HydrophobicContact CD1-CD2 4.36Å; L146-L177 HydrophobicContact CD2-CD2 3.95Å; L146-L181 HydrophobicContact CD2-CD1 4.23Å; L146-L181 HydrophobicContact CD2-CD2 3.88Å
147	L	98.8	Very high	98.3	Very high	6 Å²	6	14.2 Å²	14.2	3%	0.031	7%	0.073	C	C	.	.	H	α-helix	trans	-64.2	-41.2	179.1	-68.9	179.1	0	0	0	111.9	L108 L143 T149 V150 Y151 L181 Y184 W189	L108-L147 HydrophobicContact CD1-CB 4.1Å; L108-L147 HydrophobicContact CD1-CD1 4.11Å; L108-L147 HydrophobicContact CD2-CB 4.03Å; L143-L147 HydrophobicContact CD1-CD1 3.93Å; L143-L147 HydrophobicContact CD1-CD2 4.44Å; L143-L147 HydrophobicContact CD1-CG 3.91Å; L143-L147 HydrophobicContact CD2-CD1 4.44Å; L143-L147 HydrophobicContact CG-CD1 3.88Å; L143-L147 HydrophobicContact CG-CG 4.25Å; L143-L147 WeakPolarHBondContact O-CB 3.3Å; L143-L147 WeakPolarHBondContact O-CG 3.27Å; L143-L147 PolarHBondContact O-N 3.34Å; L147-T149 PolarHBondContact O-N 3.3Å; L147-V150 PolarHBondContact O-N 3.39Å; L147-Y151 VanDerWaalsContact O-CD2 3.31Å; L147-Y151 WeakPolarHBondContact O-CD2 3.31Å; L147-Y151 PolarHBondContact O-N 2.86Å; L147-L181 HydrophobicContact CD2-CD1 4.07Å; L147-Y184 HydrophobicContact CD1-CD1 3.96Å; L147-Y184 HydrophobicContact CD1-CD2 4.36Å; L147-Y184 HydrophobicContact CD1-CE1 3.79Å; L147-Y184 HydrophobicContact CD1-CE2 4.2Å; L147-Y184 HydrophobicContact CD1-CG 4.25Å; L147-Y184 HydrophobicContact CD2-CD1 3.53Å; L147-Y184 HydrophobicContact CD2-CE1 3.72Å; L147-Y184 HydrophobicContact CD2-CG 4.35Å; L147-Y184 HydrophobicContact CG-CD1 4.41Å; L147-Y184 HydrophobicContact CG-CE1 4.32Å; L147-W189 HydrophobicContact CD2-CZ3 4.33Å
148	R	98.7	Very high	98.3	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.015	8%	0.077	C	C	.	.	H	α-helix	trans	-60.1	-35.1	175.3	-167.9	-176.8	-42.3	-77.5	-7.3	112.1	S103 L106 A107 L108 S144 V145 L146 S152 E228	S103-R148 PolarHBondContact O-NH2 3.39Å; S103-R148 PolarHBondContact OG-NH2 2.95Å; L106-R148 VanDerWaalsContact C-NH1 3.25Å; L106-R148 VanDerWaalsContact CB-NH1 3.33Å; L106-R148 PolarHBondContact O-NH1 3.43Å; L106-R148 PolarHBondContact O-NH2 3.18Å; A107-R148 PolarHBondContact O-NH1 3.03Å; L108-R148 HydrophobicContact CD2-CB 4.42Å; L108-R148 WeakPolarHBondContact O-CA 3.46Å; L108-R148 WeakPolarHBondContact O-CG 3.26Å; S144-R148 WeakPolarHBondContact O-CB 3.45Å; S144-R148 PolarHBondContact O-N 3.38Å; V145-R148 PolarHBondContact O-N 2.97Å; L146-R148 PolarHBondContact O-N 3.42Å; R148-S152 WeakPolarHBondContact O-CB 3.43Å; R148-S152 PolarHBondContact O-N 3.17Å; R148-E228 VanDerWaalsContact CD-CD 3.49Å; R148-E228 WeakPolarHBondContact CD-OE1 3.3Å; R148-E228 HydrophobicContact CG-CG 4.1Å
149	T	98.9	Very high	98.3	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-59.5	-51.4	170.8	-53.8	0	0	0	0	111.1	I136 V145 L146 L147 S152 I153 S225 S227	I136-T149 HydrophobicContact CD1-CG2 3.97Å; V145-T149 PolarHBondContact O-N 2.9Å; V145-T149 PolarHBondContact O-OG1 3.2Å; L146-T149 VanDerWaalsContact O-CB 3.27Å; L146-T149 WeakPolarHBondContact O-CB 3.18Å; L146-T149 PolarHBondContact O-N 2.04Å; L147-T149 PolarHBondContact O-N 3.3Å; T149-S152 PolarHBondContact O-N 3.38Å; T149-S152 PolarHBondContact O-OG 3.15Å; T149-I153 HydrophobicContact CG2-CD1 4.07Å; T149-I153 WeakPolarHBondContact O-CD1 3.5Å; T149-I153 WeakPolarHBondContact O-CG1 3.19Å; T149-I153 PolarHBondContact O-N 3.49Å; T149-S225 PolarHBondContact OG1-O 2.74Å; T149-S225 VanDerWaalsContact OG1-O 3.06Å; T149-S227 WeakPolarHBondContact CA-O 3.42Å; T149-S227 WeakPolarHBondContact CB-O 3.4Å; T149-S227 PolarHBondContact OG1-N 2.96Å; T149-S227 PolarHBondContact OG1-O 2.89Å; T149-S227 VanDerWaalsContact OG1-O 3.06Å
150	V	98.9	Very high	98.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.1	-47.4	178.6	-177.4	0	0	0	0	111.8	I136 L146 L147 S152 I153 V154 I165 L167 W189 V193	I136-V150 HydrophobicContact CD1-CG2 4.45Å; L146-V150 PolarHBondContact O-N 3.18Å; L146-V150 VanDerWaalsContact O-N 3.17Å; L147-V150 PolarHBondContact O-N 3.39Å; V150-S152 VanDerWaalsContact C-N 3.29Å; V150-S152 PolarHBondContact O-N 3.37Å; V150-I153 PolarHBondContact O-N 3.29Å; V150-I153 VanDerWaalsContact O-N 3.14Å; V150-V154 HydrophobicContact CG1-CG2 4.12Å; V150-V154 WeakPolarHBondContact O-CG2 3.33Å; V150-V154 PolarHBondContact O-N 2.9Å; V150-I165 HydrophobicContact CG1-CD1 4.14Å; V150-L167 HydrophobicContact CG2-CD1 4.28Å; V150-L167 HydrophobicContact CG2-CD2 3.82Å; V150-W189 HydrophobicContact CB-CH2 3.98Å; V150-W189 HydrophobicContact CB-CZ3 4.1Å; V150-W189 HydrophobicContact CG1-CD2 4.14Å; V150-W189 HydrophobicContact CG1-CE3 3.77Å; V150-W189 HydrophobicContact CG1-CH2 3.59Å; V150-W189 HydrophobicContact CG1-CZ2 3.99Å; V150-W189 HydrophobicContact CG1-CZ3 3.48Å; V150-W189 VanDerWaalsContact CG1-CZ3 3.48Å; V150-V193 HydrophobicContact CG1-CG1 4.33Å; V150-V193 HydrophobicContact CG1-CG2 3.77Å
151	Y	98.8	Very high	98.5	Very high	37 Å²	37	21.1 Å²	21.1	15%	0.145	12%	0.115	C	C	.	.	H	α-helix	trans	-57.8	-41.3	176.2	-89.6	-79	0	0	0	112.1	L108 N109 L147 I153 V154 N155 Y184 H188 W189	L108-Y151 HydrophobicContact CB-CD2 3.6Å; L108-Y151 HydrophobicContact CB-CE2 3.82Å; L108-Y151 HydrophobicContact CB-CG 4.23Å; L108-Y151 HydrophobicContact CD1-CD2 4.18Å; L108-Y151 HydrophobicContact CD1-CE2 3.7Å; L108-Y151 HydrophobicContact CG-CD2 4.48Å; L108-Y151 HydrophobicContact CG-CE2 4.41Å; L108-Y151 VanDerWaalsContact O-CB 3.28Å; L108-Y151 WeakPolarHBondContact O-CB 3.47Å; N109-Y151 HydrophobicContact CB-CD1 4.03Å; N109-Y151 HydrophobicContact CB-CG 4.45Å; L147-Y151 VanDerWaalsContact O-CD2 3.31Å; L147-Y151 WeakPolarHBondContact O-CD2 3.31Å; L147-Y151 PolarHBondContact O-N 2.86Å; Y151-I153 VanDerWaalsContact C-N 3.3Å; Y151-I153 PolarHBondContact O-N 2.9Å; Y151-V154 PolarHBondContact O-N 3.5Å; Y151-N155 WeakPolarHBondContact O-CB 3.24Å; Y151-N155 PolarHBondContact O-N 2.89Å; Y151-N155 PolarHBondContact O-ND2 3.4Å; Y151-Y184 HydrophobicContact CE2-CE1 4.15Å; Y151-Y184 WeakPolarHBondContact CE2-OH 3.31Å; Y151-Y184 PolarHBondContact OH-OH 3.32Å; Y151-H188 PolarHBondContact OH-CD2 3.13Å; Y151-W189 AromaticContact CD1-CZ2 3.84Å; Y151-W189 HydrophobicContact CD1-CZ2 3.84Å; Y151-W189 AromaticContact CD2-CH2 3.63Å; Y151-W189 HydrophobicContact CD2-CH2 3.63Å; Y151-W189 AromaticContact CD2-CZ2 3.73Å; Y151-W189 HydrophobicContact CD2-CZ2 3.73Å; Y151-W189 HydrophobicContact CE1-CH2 4.47Å; Y151-W189 AromaticContact CE1-CZ2 3.76Å; Y151-W189 HydrophobicContact CE1-CZ2 3.76Å; Y151-W189 AromaticContact CE2-CH2 3.5Å; Y151-W189 HydrophobicContact CE2-CH2 3.5Å; Y151-W189 VanDerWaalsContact CE2-CH2 3.5Å; Y151-W189 AromaticContact CE2-CZ2 3.63Å; Y151-W189 HydrophobicContact CE2-CZ2 3.63Å; Y151-W189 HydrophobicContact CG-CH2 4.18Å; Y151-W189 AromaticContact CG-CZ2 3.84Å; Y151-W189 HydrophobicContact CG-CZ2 3.84Å; Y151-W189 AromaticContact CZ-CH2 3.95Å; Y151-W189 AromaticContact CZ-CZ2 3.65Å
152	S	98.8	Very high	98.5	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-62.1	-39.4	177.9	81	0	0	0	0	112.1	R148 T149 V150 R156 C229	R148-S152 WeakPolarHBondContact O-CB 3.43Å; R148-S152 PolarHBondContact O-N 3.17Å; T149-S152 PolarHBondContact O-N 3.38Å; T149-S152 PolarHBondContact O-OG 3.15Å; V150-S152 VanDerWaalsContact C-N 3.29Å; V150-S152 PolarHBondContact O-N 3.37Å; S152-R156 VanDerWaalsContact O-CB 3.26Å; S152-R156 WeakPolarHBondContact O-CB 3.32Å; S152-R156 PolarHBondContact O-N 2.91Å; S152-C229 PolarHBondContact OG-N 2.93Å
153	I	98.9	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-71	-50.5	179.4	-63.4	155.2	0	0	0	109.9	V134 I136 T149 V150 Y151 N155 R156 S157 L162 I165 L223 W233	V134-I153 HydrophobicContact CB-CG2 4.37Å; V134-I153 HydrophobicContact CG1-CD1 3.79Å; V134-I153 HydrophobicContact CG1-CG1 4.45Å; V134-I153 HydrophobicContact CG2-CG2 3.91Å; I136-I153 HydrophobicContact CD1-CD1 3.5Å; I136-I153 VanDerWaalsContact CD1-CD1 3.5Å; I136-I153 HydrophobicContact CG1-CD1 4.42Å; T149-I153 HydrophobicContact CG2-CD1 4.07Å; T149-I153 WeakPolarHBondContact O-CD1 3.5Å; T149-I153 WeakPolarHBondContact O-CG1 3.19Å; T149-I153 PolarHBondContact O-N 3.49Å; V150-I153 PolarHBondContact O-N 3.29Å; V150-I153 VanDerWaalsContact O-N 3.14Å; Y151-I153 VanDerWaalsContact C-N 3.3Å; Y151-I153 PolarHBondContact O-N 2.9Å; I153-N155 VanDerWaalsContact C-N 3.33Å; I153-N155 PolarHBondContact O-N 3.19Å; I153-R156 PolarHBondContact O-N 3.47Å; I153-S157 WeakPolarHBondContact O-CB 3.3Å; I153-S157 PolarHBondContact O-N 3.47Å; I153-S157 VanDerWaalsContact O-N 3.08Å; I153-S157 PolarHBondContact O-OG 2.87Å; I153-L162 HydrophobicContact CG2-CD1 4.07Å; I153-L162 HydrophobicContact CG2-CD2 4.16Å; I153-I165 HydrophobicContact CB-CD1 3.94Å; I153-I165 HydrophobicContact CG2-CD1 3.53Å; I153-I165 HydrophobicContact CG2-CG1 4.09Å; I153-L223 HydrophobicContact CD1-CD1 3.88Å; I153-L223 HydrophobicContact CG1-CD1 3.98Å; I153-W233 HydrophobicContact CG2-CZ2 4.37Å
154	V	98.7	Very high	98.6	Very high	32 Å²	32	22.1 Å²	22.1	19%	0.194	12%	0.119	C	C	.	.	H	α-helix	trans	-60.9	-43.9	-178.2	173.6	0	0	0	0	111	V150 Y151 I165 W189 L192	V150-V154 HydrophobicContact CG1-CG2 4.12Å; V150-V154 WeakPolarHBondContact O-CG2 3.33Å; V150-V154 PolarHBondContact O-N 2.9Å; Y151-V154 PolarHBondContact O-N 3.5Å; V154-I165 HydrophobicContact CG2-CD1 3.67Å; V154-W189 HydrophobicContact CG2-CG 4.48Å; V154-L192 HydrophobicContact CG1-CD2 4.43Å; V154-L192 HydrophobicContact CG2-CD2 4.06Å
155	N	98.4	Very high	98.6	Very high	62 Å²	62	21.6 Å²	21.6	33%	0.332	12%	0.116	S	C	.	.	H	α-helix	trans	-78.6	-25.4	-174.5	-65.7	-16	0	0	0	113.6	L60 Y151 I153	L60-N155 WeakPolarHBondContact CD2-O 3.47Å; Y151-N155 WeakPolarHBondContact O-CB 3.24Å; Y151-N155 PolarHBondContact O-N 2.89Å; Y151-N155 PolarHBondContact O-ND2 3.4Å; I153-N155 VanDerWaalsContact C-N 3.33Å; I153-N155 PolarHBondContact O-N 3.19Å
156	R	98.6	Very high	98.6	Very high	13 Å²	13	21.6 Å²	21.6	5%	0.049	12%	0.115	C	C	.	.	H	α-helix	trans	-115.8	9.2	-171.8	-58.7	172.7	-179.1	127.4	11.7	114	L60 D64 R110 S152 I153 C229	L60-R156 HydrophobicContact CD2-CG 4.02Å; D64-R156 IonicContact OD2-NH2 2.74Å; R110-R156 PolarHBondContact O-NH2 2.84Å; S152-R156 VanDerWaalsContact O-CB 3.26Å; S152-R156 WeakPolarHBondContact O-CB 3.32Å; S152-R156 PolarHBondContact O-N 2.91Å; I153-R156 PolarHBondContact O-N 3.47Å; R156-C229 WeakPolarHBondContact CD-O 3.47Å; R156-C229 PolarHBondContact NE-O 3.32Å; R156-C229 PolarHBondContact NH1-O 2.74Å
157	S	98.7	Very high	98.6	Very high	7 Å²	7	21.6 Å²	21.6	5%	0.049	12%	0.115	C	C	.	.	S	Bend	trans	-108.6	135	172.9	-51.7	0	0	0	0	109.6	I153 P159 W233	I153-S157 WeakPolarHBondContact O-CB 3.3Å; I153-S157 PolarHBondContact O-N 3.47Å; I153-S157 VanDerWaalsContact O-N 3.08Å; I153-S157 PolarHBondContact O-OG 2.87Å; S157-P159 WeakPolarHBondContact O-CD 3.44Å; S157-W233 PolarHBondContact OG-NE1 3.4Å; S157-W233 VanDerWaalsContact OG-NE1 3.13Å
158	P	98.4	Very high	98.6	Very high	18 Å²	18	21.3 Å²	21.3	12%	0.117	11%	0.114	C	C	.	.			trans	-56.7	125.7	173.1	-25.6	35.1	0	0	0	110.8	W55 E160 L161 L162 P235	W55-P158 HydrophobicContact CE3-CB 3.78Å; W55-P158 HydrophobicContact CE3-CG 3.6Å; W55-P158 HydrophobicContact CZ3-CB 3.62Å; W55-P158 HydrophobicContact CZ3-CG 3.96Å; P158-E160 PolarHBondContact O-N 3.29Å; P158-L161 HydrophobicContact CB-CB 4.42Å; P158-L161 HydrophobicContact CB-CD1 4.07Å; P158-L161 HydrophobicContact CB-CG 4.06Å; P158-L161 HydrophobicContact CG-CD1 3.98Å; P158-L161 PolarHBondContact O-N 3.13Å; P158-L162 PolarHBondContact O-N 3.48Å; P158-P235 HydrophobicContact CG-CG 4.29Å
159	P	97.7	Very high	98.6	Very high	105 Å²	105	21.1 Å²	21.1	68%	0.682	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-33.4	-175.2	-27.2	35.3	0	0	0	113.7	S157 L161 L162	S157-P159 WeakPolarHBondContact O-CD 3.44Å; P159-L161 PolarHBondContact O-N 2.9Å; P159-L162 PolarHBondContact O-N 3.35Å
160	E	97.8	Very high	98.5	Very high	99 Å²	99	21.2 Å²	21.2	46%	0.463	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.2	176.5	60.7	-102.6	-140.8	0	0	113.4	K53 W55 R131 P158	K53-E160 IonicContact NZ-OE1 3.4Å; K53-E160 PolarHBondContact NZ-OE1 3.34Å; W55-E160 HydrophobicContact CH2-CG 3.94Å; W55-E160 HydrophobicContact CZ3-CG 3.84Å; W55-E160 WeakPolarHBondContact CZ3-OE1 3.44Å; R131-E160 PolarHBondContact NE-O 3.28Å; P158-E160 PolarHBondContact O-N 3.29Å
161	L	98.7	Very high	98.4	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.026	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-29.1	-179.1	-57.8	-176.9	0	0	0	112.5	W55 L129 R131 V132 P158 P159 Q163 L234 P235 L238	W55-L161 HydrophobicContact CD2-CD1 4.5Å; W55-L161 HydrophobicContact CE3-CD1 4.06Å; W55-L161 HydrophobicContact CH2-CD1 3.8Å; W55-L161 HydrophobicContact CH2-CD2 3.73Å; W55-L161 HydrophobicContact CH2-CG 3.81Å; W55-L161 HydrophobicContact CZ2-CD1 4.24Å; W55-L161 HydrophobicContact CZ2-CD2 4.34Å; W55-L161 HydrophobicContact CZ3-CD1 3.69Å; W55-L161 HydrophobicContact CZ3-CD2 4.28Å; W55-L161 HydrophobicContact CZ3-CG 3.83Å; L129-L161 HydrophobicContact CB-CD1 4.28Å; L129-L161 HydrophobicContact CB-CD2 3.7Å; L129-L161 HydrophobicContact CD1-CD1 4.03Å; R131-L161 CarbonylContact C-O 3.56Å; R131-L161 WeakPolarHBondContact CA-O 3.38Å; V132-L161 PolarHBondContact N-O 3.45Å; P158-L161 HydrophobicContact CB-CB 4.42Å; P158-L161 HydrophobicContact CB-CD1 4.07Å; P158-L161 HydrophobicContact CB-CG 4.06Å; P158-L161 HydrophobicContact CG-CD1 3.98Å; P158-L161 PolarHBondContact O-N 3.13Å; P159-L161 PolarHBondContact O-N 2.9Å; L161-Q163 PolarHBondContact O-N 2.94Å; L161-L234 HydrophobicContact CB-CD2 4.01Å; L161-P235 HydrophobicContact CD1-CG 4.31Å; L161-L238 HydrophobicContact CD1-CD1 4.12Å
162	L	98.7	Very high	98.3	Very high	8 Å²	8	24.8 Å²	24.8	4%	0.042	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	102.7	-178.4	-173.3	65.4	0	0	0	110.8	V132 V134 I153 P158 P159 I165 L192	V132-L162 HydrophobicContact CG2-CD1 4.05Å; V134-L162 HydrophobicContact CG2-CD1 3.76Å; I153-L162 HydrophobicContact CG2-CD1 4.07Å; I153-L162 HydrophobicContact CG2-CD2 4.16Å; P158-L162 PolarHBondContact O-N 3.48Å; P159-L162 PolarHBondContact O-N 3.35Å; L162-I165 HydrophobicContact CD1-CG1 4.07Å; L162-I165 HydrophobicContact CD2-CD1 4.16Å; L162-I165 HydrophobicContact CD2-CG1 4.31Å; L162-L192 HydrophobicContact CD2-CD1 4.2Å; L162-L192 HydrophobicContact CD2-CD2 4.34Å; L162-L192 HydrophobicContact CG-CD1 4.13Å
163	Q	98.7	Very high	98.1	Very high	49 Å²	49	29 Å²	29	23%	0.229	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-44.5	178.2	173.2	168.3	-46	0	0	112.6	R131 V132 L161 T216 S217	R131-Q163 HydrophobicContact CB-CB 4.1Å; V132-Q163 WeakPolarHBondContact O-CB 3.36Å; V132-Q163 PolarHBondContact O-N 2.81Å; L161-Q163 PolarHBondContact O-N 2.94Å; Q163-T216 PolarHBondContact NE2-OG1 2.71Å; Q163-S217 VanDerWaalsContact CD-OG 3.29Å; Q163-S217 PolarHBondContact NE2-OG 2.93Å
164	E	98.7	Very high	97.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	157.1	-179.7	59.8	-170.9	162.4	0	0	112	V132 A133 V134 I166 L192 K194 S215 T216	V132-E164 PolarHBondContact O-N 3.02Å; A133-E164 VanDerWaalsContact CA-O 3.3Å; A133-E164 WeakPolarHBondContact CA-O 3.12Å; A133-E164 HydrophobicContact CB-CG 3.59Å; V134-E164 PolarHBondContact N-O 3.14Å; E164-I166 HydrophobicContact CG-CD1 4.4Å; E164-I166 HydrophobicContact CG-CG1 4.28Å; E164-L192 CarbonylContact C-O 3.57Å; E164-L192 VanDerWaalsContact CA-O 3.31Å; E164-L192 WeakPolarHBondContact CA-O 3.47Å; E164-K194 IonicContact OE2-NZ 3.85Å; E164-K194 PolarHBondContact OE2-NZ 3.36Å; E164-S215 VanDerWaalsContact OE1-CA 3.26Å; E164-S215 WeakPolarHBondContact OE1-CA 3.38Å; E164-S215 WeakPolarHBondContact OE1-CB 3.03Å; E164-S215 PolarHBondContact OE1-OG 3.06Å; E164-T216 PolarHBondContact OE1-N 2.83Å
165	I	98.9	Very high	97.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.6	166.4	-56.8	177.2	0	0	0	107.1	V134 I136 V150 I153 V154 L162 L167 L192 V193 K194	V134-I165 HydrophobicContact CB-CG1 4.36Å; V134-I165 CarbonylContact O-C 3.55Å; V134-I165 WeakPolarHBondContact O-CA 3.08Å; I136-I165 HydrophobicContact CD1-CG2 3.82Å; I136-I165 HydrophobicContact CG1-CG2 4.42Å; V150-I165 HydrophobicContact CG1-CD1 4.14Å; I153-I165 HydrophobicContact CB-CD1 3.94Å; I153-I165 HydrophobicContact CG2-CD1 3.53Å; I153-I165 HydrophobicContact CG2-CG1 4.09Å; V154-I165 HydrophobicContact CG2-CD1 3.67Å; L162-I165 HydrophobicContact CD1-CG1 4.07Å; L162-I165 HydrophobicContact CD2-CD1 4.16Å; L162-I165 HydrophobicContact CD2-CG1 4.31Å; I165-L167 HydrophobicContact CG2-CD2 4.08Å; I165-L192 PolarHBondContact N-O 2.92Å; I165-V193 HydrophobicContact CB-CG1 4.39Å; I165-V193 HydrophobicContact CB-CG2 4.08Å; I165-V193 HydrophobicContact CD1-CG2 4.07Å; I165-V193 HydrophobicContact CG1-CG2 4.43Å; I165-V193 HydrophobicContact CG2-CG1 4.45Å; I165-V193 CarbonylContact O-C 3.57Å; I165-V193 WeakPolarHBondContact O-CA 3.14Å; I165-K194 PolarHBondContact O-N 3.03Å
166	I	98.8	Very high	97.7	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	106.5	-179.9	-56.2	175.9	0	0	0	108.9	V134 I135 I136 E164 A168 K194 A196 R214	V134-I166 PolarHBondContact O-N 3.39Å; I135-I166 HydrophobicContact CG1-CB 4.49Å; I136-I166 PolarHBondContact N-O 2.71Å; E164-I166 HydrophobicContact CG-CD1 4.4Å; E164-I166 HydrophobicContact CG-CG1 4.28Å; I166-A168 PolarHBondContact O-N 3.3Å; I166-K194 WeakPolarHBondContact CA-O 3.44Å; I166-A196 HydrophobicContact CG2-CB 4.03Å; I166-R214 HydrophobicContact CD1-CB 4.11Å
167	L	98.9	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	107.1	170.5	-52.9	-174	0	0	0	108.5	I136 F138 L146 V150 I165 L181 V185 V193 K194 I195 A196	I136-L167 HydrophobicContact CB-CD2 3.9Å; I136-L167 HydrophobicContact CD1-CD2 3.73Å; I136-L167 HydrophobicContact CG1-CD2 4.25Å; I136-L167 HydrophobicContact CG2-CD2 4.39Å; F138-L167 HydrophobicContact CD1-CB 4.26Å; F138-L167 HydrophobicContact CE1-CB 3.77Å; L146-L167 HydrophobicContact CD1-CD2 4.36Å; V150-L167 HydrophobicContact CG2-CD1 4.28Å; V150-L167 HydrophobicContact CG2-CD2 3.82Å; I165-L167 HydrophobicContact CG2-CD2 4.08Å; L167-L181 HydrophobicContact CD1-CD1 4.45Å; L167-V185 HydrophobicContact CD1-CG2 4.1Å; L167-V193 HydrophobicContact CD1-CG1 4.01Å; L167-V193 HydrophobicContact CG-CG1 4.03Å; L167-K194 PolarHBondContact N-O 2.94Å; L167-I195 HydrophobicContact CB-CG1 4.18Å; L167-I195 HydrophobicContact CD1-CG1 4.23Å; L167-I195 CarbonylContact O-C 3.47Å; L167-I195 WeakPolarHBondContact O-CA 3.39Å; L167-A196 PolarHBondContact O-N 2.65Å
168	A	98.6	Very high	97.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	102.7	-179.4	0	0	0	0	0	110.3	I136 P137 F138 I166 D170 A196 T207	I136-A168 PolarHBondContact O-N 3.47Å; P137-A168 WeakPolarHBondContact CA-O 3.3Å; F138-A168 WeakPolarHBondContact CD1-O 3.44Å; F138-A168 PolarHBondContact N-O 2.78Å; I166-A168 PolarHBondContact O-N 3.3Å; A168-D170 PolarHBondContact O-N 2.81Å; A168-A196 CarbonylContact C-O 3.6Å; A168-A196 VanDerWaalsContact CA-O 3.3Å; A168-A196 WeakPolarHBondContact CA-O 3.49Å; A168-T207 HydrophobicContact CB-CG2 3.55Å; A168-T207 WeakPolarHBondContact O-CG2 3.15Å
169	D	98.5	Very high	97.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	107.8	-179.6	-178.5	10.9	0	0	0	110.5	F138 F171 S172 K178 A196 R197 A198	F138-D169 VanDerWaalsContact CE1-CA 3.5Å; F138-D169 HydrophobicContact CE1-CB 3.69Å; F138-D169 HydrophobicContact CE2-CB 3.96Å; F138-D169 HydrophobicContact CZ-CB 3.37Å; D169-F171 PolarHBondContact O-N 2.84Å; D169-F171 PolarHBondContact OD1-N 3.34Å; D169-S172 WeakPolarHBondContact OD1-CB 3.38Å; D169-S172 PolarHBondContact OD1-N 2.92Å; D169-S172 PolarHBondContact OD1-OG 2.76Å; D169-K178 IonicContact OD2-NZ 3.92Å; D169-K178 PolarHBondContact OD2-NZ 2.94Å; D169-A196 PolarHBondContact N-O 3.38Å; D169-R197 HydrophobicContact CB-CB 4.29Å; D169-R197 HydrophobicContact CB-CG 3.98Å; D169-R197 IonicContact OD2-CZ 3.58Å; D169-R197 IonicContact OD2-NH1 3.9Å; D169-R197 PolarHBondContact OD2-NH1 2.96Å; D169-A198 WeakPolarHBondContact O-CB 3.4Å; D169-A198 PolarHBondContact O-N 2.96Å
170	D	97.2	Very high	97.5	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	21%	0.214	C	C	.	.			trans	-79.2	58.9	173.2	-175	22.8	0	0	0	111.1	F138 H139 A168 S172 R201 E202 G203 T207	F138-D170 WeakPolarHBondContact O-CB 3.33Å; F138-D170 PolarHBondContact O-N 2.83Å; H139-D170 HydrophobicContact CB-CB 4.1Å; H139-D170 PolarHBondContact ND1-O 2.82Å; A168-D170 PolarHBondContact O-N 2.81Å; D170-S172 PolarHBondContact O-N 2.82Å; D170-R201 VanDerWaalsContact O-CD 3.3Å; D170-R201 WeakPolarHBondContact O-CD 3.44Å; D170-R201 WeakPolarHBondContact OD1-CD 3.2Å; D170-R201 IonicContact OD1-NE 2.66Å; D170-R201 WeakPolarHBondContact OD2-CD 3.43Å; D170-R201 IonicContact OD2-CZ 2.85Å; D170-R201 IonicContact OD2-NE 2.74Å; D170-R201 PolarHBondContact OD2-NE 2.71Å; D170-R201 IonicContact OD2-NH2 2.76Å; D170-E202 PolarHBondContact OD1-N 3.03Å; D170-G203 PolarHBondContact OD1-N 2.85Å; D170-G203 WeakPolarHBondContact OD2-CA 2.97Å; D170-G203 PolarHBondContact OD2-N 2.75Å; D170-G203 VanDerWaalsContact OD2-N 3.14Å; D170-T207 HydrophobicContact CB-CG2 3.87Å; D170-T207 VanDerWaalsContact CB-OG1 3.22Å; D170-T207 WeakPolarHBondContact CB-OG1 3.28Å; D170-T207 VanDerWaalsContact CG-OG1 3.25Å; D170-T207 PolarHBondContact OD1-OG1 2.86Å
171	F	96.2	Very high	97.6	Very high	106 Å²	106	34.6 Å²	34.6	47%	0.465	19%	0.192	S	C	.	.	S	Bend	trans	57	50	174.1	-160.1	-108.9	0	0	0	113.6	H139 D169 T199 K200 R201	H139-F171 PolarHBondContact CE1-O 3.11Å; D169-F171 PolarHBondContact O-N 2.84Å; D169-F171 PolarHBondContact OD1-N 3.34Å; F171-T199 WeakPolarHBondContact CE2-O 3.33Å; F171-K200 VanDerWaalsContact CB-C 3.41Å; F171-K200 WeakPolarHBondContact CB-O 3.34Å; F171-R201 HydrophobicContact CB-CB 4.46Å; F171-R201 HydrophobicContact CD1-CB 4.48Å
172	S	96.6	Very high	97.5	Very high	5 Å²	5	36.9 Å²	36.9	4%	0.035	20%	0.204	C	C	.	.			trans	-61.2	146.7	175.7	-58.1	0	0	0	0	111.5	N140 D169 D170 K178	N140-S172 PolarHBondContact N-OG 2.8Å; N140-S172 VanDerWaalsContact OD1-CA 3.27Å; N140-S172 WeakPolarHBondContact OD1-CA 3.35Å; N140-S172 WeakPolarHBondContact OD1-CB 3.43Å; D169-S172 WeakPolarHBondContact OD1-CB 3.38Å; D169-S172 PolarHBondContact OD1-N 2.92Å; D169-S172 PolarHBondContact OD1-OG 2.76Å; D170-S172 PolarHBondContact O-N 2.82Å; S172-K178 WeakPolarHBondContact O-CE 3.24Å; S172-K178 PolarHBondContact O-NZ 3.46Å
173	S	94.8	Very high	97.5	Very high	92 Å²	92	43.4 Å²	43.4	64%	0.643	23%	0.234	S	C	*	.			trans	-104.2	-15.7	176.5	59.6	0	0	0	0	113.5	N140	N140-S173 PolarHBondContact ND2-OG 3.44Å; N140-S173 PolarHBondContact OD1-N 3.26Å; N140-S173 PolarHBondContact OD1-OG 2.96Å
174	Q	94.5	Very high	97.5	Very high	46 Å²	46	43.6 Å²	43.6	22%	0.215	23%	0.233	C	C	.	.			trans	-66.2	137.8	177.7	-52.6	-162.7	46.8	0	0	110.9	N140 D176 L177	N140-Q174 VanDerWaalsContact C-NE2 3.31Å; N140-Q174 HydrophobicContact CB-CG 4.07Å; N140-Q174 PolarHBondContact O-NE2 3.5Å; N140-Q174 PolarHBondContact OD1-N 3.04Å; Q174-D176 WeakPolarHBondContact CB-OD1 3.5Å; Q174-L177 HydrophobicContact CB-CD1 4.01Å; Q174-L177 HydrophobicContact CB-CG 4.16Å; Q174-L177 HydrophobicContact CG-CD1 4.37Å; Q174-L177 PolarHBondContact O-N 3.07Å
175	V	96.4	Very high	97.4	Very high	126 Å²	126	43.6 Å²	43.6	76%	0.764	23%	0.234	S	C	*	.	S	Bend	trans	-72.5	-38.3	-170.9	177.4	0	0	0	0	111.9	L177 K178	V175-L177 PolarHBondContact O-N 3.13Å; V175-K178 WeakPolarHBondContact O-CB 3.41Å; V175-K178 PolarHBondContact O-N 3.4Å
176	D	96.4	Very high	97.4	Very high	36 Å²	36	48.6 Å²	48.6	19%	0.193	26%	0.26	C	S	.	.	I	π-helix	trans	-62.6	-25.5	176.7	59.5	-15	0	0	0	112.9	L143 Q174 K178 L181	L143-D176 HydrophobicContact CD2-CB 4.26Å; Q174-D176 WeakPolarHBondContact CB-OD1 3.5Å; D176-K178 PolarHBondContact O-N 2.8Å; D176-L181 PolarHBondContact O-N 3.42Å; D176-L181 VanDerWaalsContact O-N 3.13Å
177	L	97.9	Very high	97.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.285	C	S	.	.	I	π-helix	trans	-80.6	3	174.1	-61.3	178.4	0	0	0	114.3	F138 E141 L143 L146 Q174 V175 L181 R197	F138-L177 HydrophobicContact CD2-CD1 4.27Å; F138-L177 HydrophobicContact CE2-CB 4.32Å; F138-L177 HydrophobicContact CE2-CD1 4.11Å; F138-L177 HydrophobicContact CE2-CD2 4.24Å; F138-L177 HydrophobicContact CE2-CG 4.47Å; E141-L177 WeakPolarHBondContact O-CD1 3.47Å; E141-L177 WeakPolarHBondContact O-CD2 3.5Å; L143-L177 HydrophobicContact CD1-CD2 4.29Å; L146-L177 HydrophobicContact CD2-CD2 3.95Å; Q174-L177 HydrophobicContact CB-CD1 4.01Å; Q174-L177 HydrophobicContact CB-CG 4.16Å; Q174-L177 HydrophobicContact CG-CD1 4.37Å; Q174-L177 PolarHBondContact O-N 3.07Å; V175-L177 PolarHBondContact O-N 3.13Å; L177-L181 HydrophobicContact CD2-CD2 4.25Å; L177-R197 PolarHBondContact O-NH1 3.06Å; L177-R197 PolarHBondContact O-NH2 2.85Å
178	K	97.2	Very high	97.3	Very high	71 Å²	71	56.2 Å²	56.2	31%	0.309	30%	0.304	S	S	.	.	I	π-helix	trans	-100.5	-115.7	177.8	-55.4	-57.4	177.8	-173.7	0	110.7	D169 S172 V175 D176 Q180 L181 D182 R197	D169-K178 IonicContact OD2-NZ 3.92Å; D169-K178 PolarHBondContact OD2-NZ 2.94Å; S172-K178 WeakPolarHBondContact O-CE 3.24Å; S172-K178 PolarHBondContact O-NZ 3.46Å; V175-K178 WeakPolarHBondContact O-CB 3.41Å; V175-K178 PolarHBondContact O-N 3.4Å; D176-K178 PolarHBondContact O-N 2.8Å; K178-Q180 VanDerWaalsContact C-N 3.29Å; K178-Q180 PolarHBondContact O-N 2.99Å; K178-L181 PolarHBondContact O-N 3.05Å; K178-D182 PolarHBondContact O-N 3.14Å; K178-R197 PolarHBondContact O-NH2 3.35Å
179	A	97.2	Very high	97.2	Very high	70 Å²	70	57.3 Å²	57.3	58%	0.579	31%	0.308	S	S	*	.	I	π-helix	trans	-59.4	-39	-174.3	0	0	0	0	0	112.6	L181 D182 E183	A179-L181 PolarHBondContact O-N 3.43Å; A179-D182 PolarHBondContact O-N 2.91Å; A179-E183 WeakPolarHBondContact O-CB 3.38Å; A179-E183 PolarHBondContact O-N 3.18Å
180	Q	97.7	Very high	97.2	Very high	105 Å²	105	62.1 Å²	62.1	49%	0.491	34%	0.34	S	S	.	.	I	π-helix	trans	-61.7	-45.1	178.3	177.8	-179.2	-7.1	0	0	111.9	L143 K178 Y184	L143-Q180 HydrophobicContact CD2-CG 4.46Å; K178-Q180 VanDerWaalsContact C-N 3.29Å; K178-Q180 PolarHBondContact O-N 2.99Å; Q180-Y184 VanDerWaalsContact O-CB 3.29Å; Q180-Y184 WeakPolarHBondContact O-CB 3.47Å; Q180-Y184 PolarHBondContact O-N 2.96Å
181	L	98.4	Very high	97.1	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-64.6	-42.3	175.2	179.8	63.6	0	0	0	111.9	F138 L143 L146 L147 L167 D176 L177 K178 A179 E183 Y184 V185 I195	F138-L181 HydrophobicContact CE2-CD2 4.28Å; F138-L181 HydrophobicContact CZ-CD2 3.83Å; L143-L181 HydrophobicContact CD1-CD1 3.93Å; L146-L181 HydrophobicContact CD2-CD1 4.23Å; L146-L181 HydrophobicContact CD2-CD2 3.88Å; L147-L181 HydrophobicContact CD2-CD1 4.07Å; L167-L181 HydrophobicContact CD1-CD1 4.45Å; D176-L181 PolarHBondContact O-N 3.42Å; D176-L181 VanDerWaalsContact O-N 3.13Å; L177-L181 HydrophobicContact CD2-CD2 4.25Å; K178-L181 PolarHBondContact O-N 3.05Å; A179-L181 PolarHBondContact O-N 3.43Å; L181-E183 PolarHBondContact O-N 3.5Å; L181-Y184 PolarHBondContact O-N 3.28Å; L181-V185 HydrophobicContact CD1-CG2 3.88Å; L181-V185 HydrophobicContact CG-CG2 4.37Å; L181-V185 WeakPolarHBondContact O-CB 3.32Å; L181-V185 WeakPolarHBondContact O-CG2 3.44Å; L181-V185 PolarHBondContact O-N 2.92Å; L181-I195 HydrophobicContact CD2-CD1 4.24Å; L181-I195 HydrophobicContact CG-CD1 3.91Å
182	D	97.7	Very high	97.2	Very high	53 Å²	53	61.8 Å²	61.8	28%	0.283	36%	0.356	S	S	.	.	H	α-helix	trans	-59	-47.8	177.7	-67	-30.8	0	0	0	111.1	K178 A179 N186 I195 R197	K178-D182 PolarHBondContact O-N 3.14Å; A179-D182 PolarHBondContact O-N 2.91Å; D182-N186 VanDerWaalsContact O-CB 3.31Å; D182-N186 WeakPolarHBondContact O-CB 3.18Å; D182-N186 PolarHBondContact O-N 3.11Å; D182-N186 PolarHBondContact O-ND2 3.43Å; D182-I195 WeakPolarHBondContact OD1-CD1 3.33Å; D182-R197 IonicContact OD1-CZ 3.91Å; D182-R197 IonicContact OD1-NE 2.76Å; D182-R197 IonicContact OD1-NH2 2.86Å; D182-R197 PolarHBondContact OD1-NH2 3.43Å; D182-R197 IonicContact OD2-CZ 3.56Å; D182-R197 IonicContact OD2-NE 3.33Å; D182-R197 IonicContact OD2-NH2 3.91Å; D182-R197 PolarHBondContact OD2-NH2 2.76Å
183	E	98.1	Very high	97.3	Very high	145 Å²	145	61.6 Å²	61.6	68%	0.678	36%	0.355	S	S	*	.	H	α-helix	trans	-65.2	-44.3	178.3	-175.1	176	-172.7	0	0	112.1	A179 L181 V185 N186 S187	A179-E183 WeakPolarHBondContact O-CB 3.38Å; A179-E183 PolarHBondContact O-N 3.18Å; L181-E183 PolarHBondContact O-N 3.5Å; E183-V185 PolarHBondContact O-N 3.47Å; E183-N186 PolarHBondContact O-N 2.73Å; E183-S187 WeakPolarHBondContact O-CB 3.29Å; E183-S187 PolarHBondContact O-N 2.96Å; E183-S187 PolarHBondContact O-OG 3.35Å
184	Y	98.3	Very high	97.4	Very high	53 Å²	53	61.9 Å²	61.9	21%	0.208	34%	0.344	C	S	.	.	H	α-helix	trans	-60.6	-48.3	179.2	-166.4	-80.7	0	0	0	111.2	L147 Y151 Q180 L181 S187 H188 W189	L147-Y184 HydrophobicContact CD1-CD1 3.96Å; L147-Y184 HydrophobicContact CD1-CD2 4.36Å; L147-Y184 HydrophobicContact CD1-CE1 3.79Å; L147-Y184 HydrophobicContact CD1-CE2 4.2Å; L147-Y184 HydrophobicContact CD1-CG 4.25Å; L147-Y184 HydrophobicContact CD2-CD1 3.53Å; L147-Y184 HydrophobicContact CD2-CE1 3.72Å; L147-Y184 HydrophobicContact CD2-CG 4.35Å; L147-Y184 HydrophobicContact CG-CD1 4.41Å; L147-Y184 HydrophobicContact CG-CE1 4.32Å; Y151-Y184 HydrophobicContact CE2-CE1 4.15Å; Y151-Y184 WeakPolarHBondContact CE2-OH 3.31Å; Y151-Y184 PolarHBondContact OH-OH 3.32Å; Q180-Y184 VanDerWaalsContact O-CB 3.29Å; Q180-Y184 WeakPolarHBondContact O-CB 3.47Å; Q180-Y184 PolarHBondContact O-N 2.96Å; L181-Y184 PolarHBondContact O-N 3.28Å; Y184-S187 PolarHBondContact O-N 3.49Å; Y184-S187 PolarHBondContact O-OG 3.39Å; Y184-H188 AromaticContact CD1-ND1 3.87Å; Y184-H188 AromaticContact CD2-CE1 3.83Å; Y184-H188 HydrophobicContact CE1-CB 4.46Å; Y184-H188 AromaticContact CE1-CE1 3.99Å; Y184-H188 AromaticContact CE1-CG 3.87Å; Y184-H188 AromaticContact CE1-ND1 3.85Å; Y184-H188 AromaticContact CE2-CE1 3.55Å; Y184-H188 AromaticContact CE2-NE2 3.81Å; Y184-H188 AromaticContact CZ-CD2 3.9Å; Y184-H188 AromaticContact CZ-CE1 3.63Å; Y184-H188 AromaticContact CZ-ND1 3.98Å; Y184-H188 AromaticContact CZ-NE2 3.56Å; Y184-H188 WeakPolarHBondContact O-CB 3.41Å; Y184-H188 PolarHBondContact O-N 3.48Å; Y184-H188 VanDerWaalsContact O-N 3.09Å; Y184-H188 PolarHBondContact O-ND1 3.18Å; Y184-W189 HydrophobicContact CD1-CZ3 4.24Å; Y184-W189 HydrophobicContact CE1-CH2 4.12Å; Y184-W189 HydrophobicContact CE1-CZ3 4.11Å
185	V	98.1	Very high	97.6	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.006	34%	0.344	C	S	.	.	H	α-helix	trans	-64.4	-45.5	-179.7	164.2	0	0	0	0	111.7	L167 L181 E183 S187 H188 W189 V193 I195	L167-V185 HydrophobicContact CD1-CG2 4.1Å; L181-V185 HydrophobicContact CD1-CG2 3.88Å; L181-V185 HydrophobicContact CG-CG2 4.37Å; L181-V185 WeakPolarHBondContact O-CB 3.32Å; L181-V185 WeakPolarHBondContact O-CG2 3.44Å; L181-V185 PolarHBondContact O-N 2.92Å; E183-V185 PolarHBondContact O-N 3.47Å; V185-S187 VanDerWaalsContact C-N 3.33Å; V185-S187 PolarHBondContact O-N 3.04Å; V185-H188 PolarHBondContact O-N 3.18Å; V185-W189 CarbonylContact O-C 3.59Å; V185-W189 PolarHBondContact O-N 2.85Å; V185-V193 HydrophobicContact CB-CG1 4.44Å; V185-V193 HydrophobicContact CG1-CB 3.64Å; V185-V193 HydrophobicContact CG1-CG1 3.5Å; V185-V193 VanDerWaalsContact CG1-CG1 3.5Å; V185-V193 VanDerWaalsContact CG1-O 3.26Å; V185-V193 WeakPolarHBondContact CG1-O 3.22Å; V185-V193 HydrophobicContact CG2-CG1 4.09Å; V185-I195 HydrophobicContact CB-CD1 4.23Å; V185-I195 HydrophobicContact CG1-CD1 4.43Å; V185-I195 HydrophobicContact CG2-CD1 4.2Å
186	N	97.1	Very high	97.7	Very high	105 Å²	105	56 Å²	56	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-66.4	-34.4	-179.1	-75.1	-32.7	0	0	0	112.8	D182 E183	D182-N186 VanDerWaalsContact O-CB 3.31Å; D182-N186 WeakPolarHBondContact O-CB 3.18Å; D182-N186 PolarHBondContact O-N 3.11Å; D182-N186 PolarHBondContact O-ND2 3.43Å; E183-N186 PolarHBondContact O-N 2.73Å
187	S	97.9	Very high	97.8	Very high	78 Å²	78	57.8 Å²	57.8	55%	0.545	32%	0.315	S	S	.	.	H	α-helix	trans	-76.8	-35.9	178.9	53.6	0	0	0	0	113.5	E183 Y184 V185	E183-S187 WeakPolarHBondContact O-CB 3.29Å; E183-S187 PolarHBondContact O-N 2.96Å; E183-S187 PolarHBondContact O-OG 3.35Å; Y184-S187 PolarHBondContact O-N 3.49Å; Y184-S187 PolarHBondContact O-OG 3.39Å; V185-S187 VanDerWaalsContact C-N 3.33Å; V185-S187 PolarHBondContact O-N 3.04Å
188	H	98.1	Very high	97.8	Very high	85 Å²	85	58.5 Å²	58.5	39%	0.394	32%	0.32	S	S	.	.	H	α-helix	trans	-92.5	-33.5	-174.5	-67.8	69	0	0	0	113.4	Y151 Y184 V185	Y151-H188 PolarHBondContact OH-CD2 3.13Å; Y184-H188 AromaticContact CD1-ND1 3.87Å; Y184-H188 AromaticContact CD2-CE1 3.83Å; Y184-H188 HydrophobicContact CE1-CB 4.46Å; Y184-H188 AromaticContact CE1-CE1 3.99Å; Y184-H188 AromaticContact CE1-CG 3.87Å; Y184-H188 AromaticContact CE1-ND1 3.85Å; Y184-H188 AromaticContact CE2-CE1 3.55Å; Y184-H188 AromaticContact CE2-NE2 3.81Å; Y184-H188 AromaticContact CZ-CD2 3.9Å; Y184-H188 AromaticContact CZ-CE1 3.63Å; Y184-H188 AromaticContact CZ-ND1 3.98Å; Y184-H188 AromaticContact CZ-NE2 3.56Å; Y184-H188 WeakPolarHBondContact O-CB 3.41Å; Y184-H188 PolarHBondContact O-N 3.48Å; Y184-H188 VanDerWaalsContact O-N 3.09Å; Y184-H188 PolarHBondContact O-ND1 3.18Å; V185-H188 PolarHBondContact O-N 3.18Å
189	W	98	Very high	97.7	Very high	23 Å²	23	61.2 Å²	61.2	9%	0.087	34%	0.343	C	S	.	.	S	Bend	trans	-137.7	58	-175.3	-54.7	-64.5	0	0	0	112.6	L147 V150 Y151 V154 Y184 V185 G191 L192 V193	L147-W189 HydrophobicContact CD2-CZ3 4.33Å; V150-W189 HydrophobicContact CB-CH2 3.98Å; V150-W189 HydrophobicContact CB-CZ3 4.1Å; V150-W189 HydrophobicContact CG1-CD2 4.14Å; V150-W189 HydrophobicContact CG1-CE3 3.77Å; V150-W189 HydrophobicContact CG1-CH2 3.59Å; V150-W189 HydrophobicContact CG1-CZ2 3.99Å; V150-W189 HydrophobicContact CG1-CZ3 3.48Å; V150-W189 VanDerWaalsContact CG1-CZ3 3.48Å; Y151-W189 AromaticContact CD1-CZ2 3.84Å; Y151-W189 HydrophobicContact CD1-CZ2 3.84Å; Y151-W189 AromaticContact CD2-CH2 3.63Å; Y151-W189 HydrophobicContact CD2-CH2 3.63Å; Y151-W189 AromaticContact CD2-CZ2 3.73Å; Y151-W189 HydrophobicContact CD2-CZ2 3.73Å; Y151-W189 HydrophobicContact CE1-CH2 4.47Å; Y151-W189 AromaticContact CE1-CZ2 3.76Å; Y151-W189 HydrophobicContact CE1-CZ2 3.76Å; Y151-W189 AromaticContact CE2-CH2 3.5Å; Y151-W189 HydrophobicContact CE2-CH2 3.5Å; Y151-W189 VanDerWaalsContact CE2-CH2 3.5Å; Y151-W189 AromaticContact CE2-CZ2 3.63Å; Y151-W189 HydrophobicContact CE2-CZ2 3.63Å; Y151-W189 HydrophobicContact CG-CH2 4.18Å; Y151-W189 AromaticContact CG-CZ2 3.84Å; Y151-W189 HydrophobicContact CG-CZ2 3.84Å; Y151-W189 AromaticContact CZ-CH2 3.95Å; Y151-W189 AromaticContact CZ-CZ2 3.65Å; V154-W189 HydrophobicContact CG2-CG 4.48Å; Y184-W189 HydrophobicContact CD1-CZ3 4.24Å; Y184-W189 HydrophobicContact CE1-CH2 4.12Å; Y184-W189 HydrophobicContact CE1-CZ3 4.11Å; V185-W189 CarbonylContact O-C 3.59Å; V185-W189 PolarHBondContact O-N 2.85Å; W189-G191 PolarHBondContact O-N 3.31Å; W189-G191 VanDerWaalsContact O-N 3.14Å; W189-L192 HydrophobicContact CB-CB 4.28Å; W189-L192 PolarHBondContact O-N 3.34Å; W189-L192 VanDerWaalsContact O-N 3.14Å; W189-V193 HydrophobicContact CB-CB 3.97Å; W189-V193 HydrophobicContact CB-CG2 3.5Å; W189-V193 VanDerWaalsContact CB-CG2 3.5Å; W189-V193 HydrophobicContact CD2-CG2 3.9Å; W189-V193 HydrophobicContact CE3-CB 4.32Å; W189-V193 HydrophobicContact CE3-CG2 3.85Å; W189-V193 HydrophobicContact CG-CG2 3.79Å; W189-V193 PolarHBondContact O-N 3.35Å
190	P	96.9	Very high	97.6	Very high	101 Å²	101	63.7 Å²	63.7	66%	0.656	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	121.9	-176	23.8	-34.2	0	0	0	111.5	L192	P190-L192 PolarHBondContact O-N 3.4Å; P190-L192 VanDerWaalsContact O-N 3.13Å
191	G	95.5	Very high	97.4	Very high	57 Å²	57	61.6 Å²	61.6	59%	0.588	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	-24.4	178.1	0	0	0	0	0	115.7	W189 K194	W189-G191 PolarHBondContact O-N 3.31Å; W189-G191 VanDerWaalsContact O-N 3.14Å; G191-K194 VanDerWaalsContact O-CE 3.3Å; G191-K194 WeakPolarHBondContact O-CE 3.44Å
192	L	98.3	Very high	97.2	Very high	45 Å²	45	63.8 Å²	63.8	24%	0.236	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-46.8	179.4	178.1	65.9	0	0	0	111.7	V154 L162 E164 I165 W189 P190	V154-L192 HydrophobicContact CG1-CD2 4.43Å; V154-L192 HydrophobicContact CG2-CD2 4.06Å; L162-L192 HydrophobicContact CD2-CD1 4.2Å; L162-L192 HydrophobicContact CD2-CD2 4.34Å; L162-L192 HydrophobicContact CG-CD1 4.13Å; E164-L192 CarbonylContact C-O 3.57Å; E164-L192 VanDerWaalsContact CA-O 3.31Å; E164-L192 WeakPolarHBondContact CA-O 3.47Å; I165-L192 PolarHBondContact N-O 2.92Å; W189-L192 HydrophobicContact CB-CB 4.28Å; W189-L192 PolarHBondContact O-N 3.34Å; W189-L192 VanDerWaalsContact O-N 3.14Å; P190-L192 PolarHBondContact O-N 3.4Å; P190-L192 VanDerWaalsContact O-N 3.13Å
193	V	98.7	Very high	97	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.7	-178.5	-177.3	0	0	0	0	108.6	V150 I165 L167 V185 W189	V150-V193 HydrophobicContact CG1-CG1 4.33Å; V150-V193 HydrophobicContact CG1-CG2 3.77Å; I165-V193 HydrophobicContact CB-CG1 4.39Å; I165-V193 HydrophobicContact CB-CG2 4.08Å; I165-V193 HydrophobicContact CD1-CG2 4.07Å; I165-V193 HydrophobicContact CG1-CG2 4.43Å; I165-V193 HydrophobicContact CG2-CG1 4.45Å; I165-V193 CarbonylContact O-C 3.57Å; I165-V193 WeakPolarHBondContact O-CA 3.14Å; L167-V193 HydrophobicContact CD1-CG1 4.01Å; L167-V193 HydrophobicContact CG-CG1 4.03Å; V185-V193 HydrophobicContact CB-CG1 4.44Å; V185-V193 HydrophobicContact CG1-CB 3.64Å; V185-V193 HydrophobicContact CG1-CG1 3.5Å; V185-V193 VanDerWaalsContact CG1-CG1 3.5Å; V185-V193 VanDerWaalsContact CG1-O 3.26Å; V185-V193 WeakPolarHBondContact CG1-O 3.22Å; V185-V193 HydrophobicContact CG2-CG1 4.09Å; W189-V193 HydrophobicContact CB-CB 3.97Å; W189-V193 HydrophobicContact CB-CG2 3.5Å; W189-V193 VanDerWaalsContact CB-CG2 3.5Å; W189-V193 HydrophobicContact CD2-CG2 3.9Å; W189-V193 HydrophobicContact CE3-CB 4.32Å; W189-V193 HydrophobicContact CE3-CG2 3.85Å; W189-V193 HydrophobicContact CG-CG2 3.79Å; W189-V193 PolarHBondContact O-N 3.35Å
194	K	98.1	Very high	96.9	Very high	97 Å²	97	56.2 Å²	56.2	42%	0.422	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.2	-175.6	-59.7	173.7	-171	166.2	0	109.7	E164 I165 I166 L167 G191	E164-K194 IonicContact OE2-NZ 3.85Å; E164-K194 PolarHBondContact OE2-NZ 3.36Å; I165-K194 PolarHBondContact O-N 3.03Å; I166-K194 WeakPolarHBondContact CA-O 3.44Å; L167-K194 PolarHBondContact N-O 2.94Å; G191-K194 VanDerWaalsContact O-CE 3.3Å; G191-K194 WeakPolarHBondContact O-CE 3.44Å
195	I	98.3	Very high	96.8	Very high	42 Å²	42	53.7 Å²	53.7	22%	0.215	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.5	178.6	-58.3	165.6	0	0	0	109.2	L167 L181 D182 V185 R197	L167-I195 HydrophobicContact CB-CG1 4.18Å; L167-I195 HydrophobicContact CD1-CG1 4.23Å; L167-I195 CarbonylContact O-C 3.47Å; L167-I195 WeakPolarHBondContact O-CA 3.39Å; L181-I195 HydrophobicContact CD2-CD1 4.24Å; L181-I195 HydrophobicContact CG-CD1 3.91Å; D182-I195 WeakPolarHBondContact OD1-CD1 3.33Å; V185-I195 HydrophobicContact CB-CD1 4.23Å; V185-I195 HydrophobicContact CG1-CD1 4.43Å; V185-I195 HydrophobicContact CG2-CD1 4.2Å; I195-R197 HydrophobicContact CG2-CG 3.82Å
196	A	97.9	Very high	96.7	Very high	7 Å²	7	56.5 Å²	56.5	6%	0.058	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	112.7	174.5	0	0	0	0	0	109.1	I166 L167 A168 D169 L210 R214	I166-A196 HydrophobicContact CG2-CB 4.03Å; L167-A196 PolarHBondContact O-N 2.65Å; A168-A196 CarbonylContact C-O 3.6Å; A168-A196 VanDerWaalsContact CA-O 3.3Å; A168-A196 WeakPolarHBondContact CA-O 3.49Å; D169-A196 PolarHBondContact N-O 3.38Å; A196-L210 HydrophobicContact CB-CD2 4.39Å; A196-L210 HydrophobicContact CB-CG 4.27Å; A196-R214 HydrophobicContact CB-CG 4.09Å
197	R	98.1	Very high	96.8	Very high	74 Å²	74	51.5 Å²	51.5	28%	0.279	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.3	-175.3	-54.7	-172.4	178.2	-90.2	6.1	112.1	D169 L177 K178 D182 I195	D169-R197 HydrophobicContact CB-CB 4.29Å; D169-R197 HydrophobicContact CB-CG 3.98Å; D169-R197 IonicContact OD2-CZ 3.58Å; D169-R197 IonicContact OD2-NH1 3.9Å; D169-R197 PolarHBondContact OD2-NH1 2.96Å; L177-R197 PolarHBondContact O-NH1 3.06Å; L177-R197 PolarHBondContact O-NH2 2.85Å; K178-R197 PolarHBondContact O-NH2 3.35Å; D182-R197 IonicContact OD1-CZ 3.91Å; D182-R197 IonicContact OD1-NE 2.76Å; D182-R197 IonicContact OD1-NH2 2.86Å; D182-R197 PolarHBondContact OD1-NH2 3.43Å; D182-R197 IonicContact OD2-CZ 3.56Å; D182-R197 IonicContact OD2-NE 3.33Å; D182-R197 IonicContact OD2-NH2 3.91Å; D182-R197 PolarHBondContact OD2-NH2 2.76Å; I195-R197 HydrophobicContact CG2-CG 3.82Å
198	A	97.5	Very high	96.8	Very high	14 Å²	14	47.9 Å²	47.9	12%	0.116	25%	0.251	C	S	.	.			trans	-73.3	147.1	168.5	0	0	0	0	0	110.6	D169 K200 E202 L210	D169-A198 WeakPolarHBondContact O-CB 3.4Å; D169-A198 PolarHBondContact O-N 2.96Å; A198-K200 WeakPolarHBondContact CB-O 3.25Å; A198-E202 HydrophobicContact CB-CG 3.96Å; A198-L210 HydrophobicContact CB-CD2 4.12Å
199	T	96.2	Very high	96.8	Very high	128 Å²	128	44.1 Å²	44.1	79%	0.785	23%	0.233	S	C	*	.	S	Bend	trans	-86.5	-12	179.3	53.3	0	0	0	0	113.4	F171	F171-T199 WeakPolarHBondContact CE2-O 3.33Å
200	K	94.4	Very high	96.8	Very high	122 Å²	122	45 Å²	45	53%	0.53	24%	0.239	S	C	.	.	S	Bend	trans	-149.9	169.8	174.9	63.5	179	-179.4	178.8	0	108.9	F171 A198 E202	F171-K200 VanDerWaalsContact CB-C 3.41Å; F171-K200 WeakPolarHBondContact CB-O 3.34Å; A198-K200 WeakPolarHBondContact CB-O 3.25Å; K200-E202 WeakPolarHBondContact CE-OE1 3.35Å; K200-E202 HydrophobicContact CG-CG 4.42Å; K200-E202 WeakPolarHBondContact CG-OE1 3.26Å; K200-E202 PolarHBondContact O-N 3.09Å; K200-E202 VanDerWaalsContact O-N 3.08Å
201	R	93.2	Very high	96.9	Very high	62 Å²	62	40.2 Å²	40.2	23%	0.234	21%	0.208	C	C	.	.			trans	-67.1	107.6	173.3	-172.6	67.1	-173.1	-98.3	12.6	110.1	H139 D170 F171	H139-R201 PolarHBondContact CD2-NH1 3.22Å; H139-R201 PolarHBondContact CD2-NH2 2.78Å; H139-R201 VanDerWaalsContact CD2-NH2 3.29Å; H139-R201 PolarHBondContact CE1-NH1 2.92Å; H139-R201 PolarHBondContact ND1-NH1 3.15Å; H139-R201 PolarHBondContact NE2-NH1 2.69Å; D170-R201 VanDerWaalsContact O-CD 3.3Å; D170-R201 WeakPolarHBondContact O-CD 3.44Å; D170-R201 WeakPolarHBondContact OD1-CD 3.2Å; D170-R201 IonicContact OD1-NE 2.66Å; D170-R201 WeakPolarHBondContact OD2-CD 3.43Å; D170-R201 IonicContact OD2-CZ 2.85Å; D170-R201 IonicContact OD2-NE 2.74Å; D170-R201 PolarHBondContact OD2-NE 2.71Å; D170-R201 IonicContact OD2-NH2 2.76Å; F171-R201 HydrophobicContact CB-CB 4.46Å; F171-R201 HydrophobicContact CD1-CB 4.48Å
202	E	94.4	Very high	97	Very high	45 Å²	45	37.5 Å²	37.5	21%	0.21	18%	0.181	C	C	.	.			trans	-94.7	-31.8	-177.2	-71.2	-64.6	172.7	0	0	111.9	D170 A198 K200 R206	D170-E202 PolarHBondContact OD1-N 3.03Å; A198-E202 HydrophobicContact CB-CG 3.96Å; K200-E202 WeakPolarHBondContact CE-OE1 3.35Å; K200-E202 HydrophobicContact CG-CG 4.42Å; K200-E202 WeakPolarHBondContact CG-OE1 3.26Å; K200-E202 PolarHBondContact O-N 3.09Å; K200-E202 VanDerWaalsContact O-N 3.08Å; E202-R206 HydrophobicContact CB-CB 3.8Å; E202-R206 VanDerWaalsContact OE2-CD 3.24Å; E202-R206 WeakPolarHBondContact OE2-CD 3.32Å
203	G	94.2	Very high	97	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	93.5	158.6	-173.8	0	0	0	0	0	113.5	D170 I205 R206 T207	D170-G203 PolarHBondContact OD1-N 2.85Å; D170-G203 WeakPolarHBondContact OD2-CA 2.97Å; D170-G203 PolarHBondContact OD2-N 2.75Å; D170-G203 VanDerWaalsContact OD2-N 3.14Å; G203-I205 PolarHBondContact O-N 3.24Å; G203-I205 VanDerWaalsContact O-N 3.11Å; G203-R206 PolarHBondContact O-N 3.4Å; G203-T207 WeakPolarHBondContact O-CB 3.4Å; G203-T207 PolarHBondContact O-N 2.86Å; G203-T207 PolarHBondContact O-OG1 2.95Å
204	L	95	Very high	96.9	Very high	39 Å²	39	49.3 Å²	49.3	20%	0.204	23%	0.225	C	C	.	.	H	α-helix	trans	-47.8	-46.6	-175.2	178.1	65.2	0	0	0	112.7	P137 T207 R208 I326	P137-L204 HydrophobicContact CB-CD1 3.82Å; P137-L204 HydrophobicContact CG-CD1 3.46Å; P137-L204 VanDerWaalsContact CG-CD1 3.46Å; L204-T207 PolarHBondContact O-N 3.39Å; L204-R208 WeakPolarHBondContact O-CG 3.5Å; L204-R208 PolarHBondContact O-N 3.31Å; L204-I326 WeakPolarHBondContact CB-O 3.36Å; L204-I326 PolarHBondContact N-O 3.04Å
205	I	96.3	Very high	96.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-50.5	-173.2	-53.3	170.3	0	0	0	111.1	G203 R208 L209 Y320 L324 E330	G203-I205 PolarHBondContact O-N 3.24Å; G203-I205 VanDerWaalsContact O-N 3.11Å; I205-R208 WeakPolarHBondContact O-CB 3.18Å; I205-R208 PolarHBondContact O-N 2.87Å; I205-L209 PolarHBondContact O-N 2.9Å; I205-Y320 HydrophobicContact CG2-CD2 4.11Å; I205-Y320 HydrophobicContact CG2-CG 3.9Å; I205-L324 HydrophobicContact CD1-CB 3.47Å; I205-L324 VanDerWaalsContact CD1-CB 3.47Å; I205-L324 HydrophobicContact CD1-CD1 4.32Å; I205-L324 HydrophobicContact CG2-CB 4.22Å; I205-L324 HydrophobicContact CG2-CD1 4.49Å; I205-E330 HydrophobicContact CD1-CB 3.95Å; I205-E330 HydrophobicContact CD1-CG 4.43Å; I205-E330 HydrophobicContact CG1-CB 3.89Å; I205-E330 HydrophobicContact CG1-CG 4Å; I205-E330 HydrophobicContact CG2-CB 4.01Å
206	R	97.1	Very high	96.8	Very high	61 Å²	61	49.1 Å²	49.1	23%	0.23	24%	0.235	C	C	.	.	H	α-helix	trans	-72.6	-29.9	178.9	-72	-176.4	-168.4	121.7	9.8	112.2	E202 G203 L209 L210 E322 D325	E202-R206 HydrophobicContact CB-CB 3.8Å; E202-R206 VanDerWaalsContact OE2-CD 3.24Å; E202-R206 WeakPolarHBondContact OE2-CD 3.32Å; G203-R206 PolarHBondContact O-N 3.4Å; R206-L209 CarbonylContact O-C 3.26Å; R206-L209 WeakPolarHBondContact O-CA 3.48Å; R206-L209 WeakPolarHBondContact O-CB 3.47Å; R206-L209 PolarHBondContact O-N 3.45Å; R206-L210 PolarHBondContact O-N 3.45Å; R206-E322 VanDerWaalsContact CZ-O 3.25Å; R206-E322 PolarHBondContact NE-O 2.78Å; R206-E322 PolarHBondContact NH2-O 2.92Å; R206-D325 IonicContact CZ-OD1 3.97Å; R206-D325 VanDerWaalsContact CZ-OD1 3.31Å; R206-D325 IonicContact NH1-OD1 3Å; R206-D325 PolarHBondContact NH1-OD1 3.06Å; R206-D325 IonicContact NH2-OD1 3.8Å; R206-D325 PolarHBondContact NH2-OD1 2.99Å
207	T	98.1	Very high	96.9	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-68.1	-37.2	173.7	-61.1	0	0	0	0	111.9	P137 A168 D170 G203 L204 L209 L210 G211	P137-T207 HydrophobicContact CB-CG2 3.66Å; A168-T207 HydrophobicContact CB-CG2 3.55Å; A168-T207 WeakPolarHBondContact O-CG2 3.15Å; D170-T207 HydrophobicContact CB-CG2 3.87Å; D170-T207 VanDerWaalsContact CB-OG1 3.22Å; D170-T207 WeakPolarHBondContact CB-OG1 3.28Å; D170-T207 VanDerWaalsContact CG-OG1 3.25Å; D170-T207 PolarHBondContact OD1-OG1 2.86Å; G203-T207 WeakPolarHBondContact O-CB 3.4Å; G203-T207 PolarHBondContact O-N 2.86Å; G203-T207 PolarHBondContact O-OG1 2.95Å; L204-T207 PolarHBondContact O-N 3.39Å; T207-L209 VanDerWaalsContact C-N 3.3Å; T207-L209 PolarHBondContact O-N 3.22Å; T207-L210 WeakPolarHBondContact O-CB 3.48Å; T207-L210 PolarHBondContact O-N 2.82Å; T207-G211 PolarHBondContact O-N 3.21Å
208	R	98.3	Very high	96.9	Very high	2 Å²	2	51 Å²	51	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-58.9	-43.3	168	-75	-178.6	-178.6	147.3	4.8	111.1	P137 L204 I205 L210 G211 A212 F222 D224 G304 Y320 E330	P137-R208 HydrophobicContact CB-CG 4.18Å; P137-R208 HydrophobicContact CG-CG 3.74Å; L204-R208 WeakPolarHBondContact O-CG 3.5Å; L204-R208 PolarHBondContact O-N 3.31Å; I205-R208 WeakPolarHBondContact O-CB 3.18Å; I205-R208 PolarHBondContact O-N 2.87Å; R208-L210 PolarHBondContact O-N 3.49Å; R208-G211 PolarHBondContact O-N 3.33Å; R208-A212 WeakPolarHBondContact O-CB 3.37Å; R208-A212 PolarHBondContact O-N 3.01Å; R208-F222 HydrophobicContact CB-CD1 3.96Å; R208-F222 HydrophobicContact CB-CE1 3.7Å; R208-F222 HydrophobicContact CG-CD1 3.82Å; R208-F222 HydrophobicContact CG-CE1 4.11Å; R208-D224 IonicContact NH2-OD1 3.44Å; R208-D224 PolarHBondContact NH2-OD1 2.98Å; R208-G304 PolarHBondContact NH1-O 3.4Å; R208-Y320 HydrophobicContact CB-CE2 4.18Å; R208-E330 IonicContact NH1-OE1 2.73Å; R208-E330 PolarHBondContact NH1-OE1 3.28Å
209	L	98.1	Very high	96.9	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-37.6	174.9	-68.4	175.4	0	0	0	112.9	I205 R206 T207 A212 K213 F314 W315 Y320 E322	I205-L209 PolarHBondContact O-N 2.9Å; R206-L209 CarbonylContact O-C 3.26Å; R206-L209 WeakPolarHBondContact O-CA 3.48Å; R206-L209 WeakPolarHBondContact O-CB 3.47Å; R206-L209 PolarHBondContact O-N 3.45Å; T207-L209 VanDerWaalsContact C-N 3.3Å; T207-L209 PolarHBondContact O-N 3.22Å; L209-A212 PolarHBondContact O-N 3.17Å; L209-K213 WeakPolarHBondContact O-CB 3.41Å; L209-K213 VanDerWaalsContact O-CG 3.24Å; L209-K213 WeakPolarHBondContact O-CG 3.49Å; L209-K213 PolarHBondContact O-N 2.87Å; L209-F314 HydrophobicContact CD2-CE1 3.92Å; L209-F314 HydrophobicContact CD2-CZ 3.8Å; L209-W315 HydrophobicContact CD2-CH2 4.34Å; L209-W315 HydrophobicContact CD2-CZ3 4.32Å; L209-Y320 HydrophobicContact CD2-CD2 4.26Å; L209-Y320 HydrophobicContact CG-CD2 4.33Å; L209-E322 HydrophobicContact CD1-CG 3.63Å
210	L	98.2	Very high	97.1	Very high	42 Å²	42	44.3 Å²	44.3	22%	0.22	20%	0.204	C	C	.	.	H	α-helix	trans	-58	-49.3	174.5	173.9	65.2	0	0	0	110.6	A196 A198 R206 T207 R208 K213 R214	A196-L210 HydrophobicContact CB-CD2 4.39Å; A196-L210 HydrophobicContact CB-CG 4.27Å; A198-L210 HydrophobicContact CB-CD2 4.12Å; R206-L210 PolarHBondContact O-N 3.45Å; T207-L210 WeakPolarHBondContact O-CB 3.48Å; T207-L210 PolarHBondContact O-N 2.82Å; R208-L210 PolarHBondContact O-N 3.49Å; L210-K213 PolarHBondContact O-N 3.04Å; L210-R214 VanDerWaalsContact O-CG 3.29Å; L210-R214 WeakPolarHBondContact O-CG 3.4Å; L210-R214 PolarHBondContact O-N 3.16Å
211	G	98.3	Very high	97.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.1	-45.1	176	0	0	0	0	0	112.3	T207 R208 K213 R214 S215	T207-G211 PolarHBondContact O-N 3.21Å; R208-G211 PolarHBondContact O-N 3.33Å; G211-K213 PolarHBondContact O-N 2.62Å; G211-R214 PolarHBondContact O-N 3.48Å; G211-R214 VanDerWaalsContact O-N 3.13Å; G211-S215 PolarHBondContact O-N 3.34Å
212	A	98.5	Very high	97.6	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-59.9	-43.5	178.8	0	0	0	0	0	112.6	I135 R208 L209 R214 S215 L220 F222 F314 W315	I135-A212 HydrophobicContact CD1-CB 4Å; R208-A212 WeakPolarHBondContact O-CB 3.37Å; R208-A212 PolarHBondContact O-N 3.01Å; L209-A212 PolarHBondContact O-N 3.17Å; A212-R214 PolarHBondContact O-N 3.1Å; A212-S215 PolarHBondContact O-N 3.11Å; A212-L220 HydrophobicContact CB-CD1 3.86Å; A212-F222 HydrophobicContact CB-CZ 4.1Å; A212-F314 HydrophobicContact CB-CD1 4.46Å; A212-F314 HydrophobicContact CB-CE1 3.85Å; A212-W315 HydrophobicContact CB-CH2 3.88Å; A212-W315 HydrophobicContact CB-CZ2 3.65Å
213	K	98.2	Very high	97.8	Very high	120 Å²	120	33.5 Å²	33.5	52%	0.522	16%	0.158	S	C	.	.	H	α-helix	trans	-66	-21.8	179.2	-73.7	173.3	-176.5	177.3	0	112.9	L209 L210 G211 W315 E322	L209-K213 WeakPolarHBondContact O-CB 3.41Å; L209-K213 VanDerWaalsContact O-CG 3.24Å; L209-K213 WeakPolarHBondContact O-CG 3.49Å; L209-K213 PolarHBondContact O-N 2.87Å; L210-K213 PolarHBondContact O-N 3.04Å; G211-K213 PolarHBondContact O-N 2.62Å; K213-W315 HydrophobicContact CG-CH2 3.63Å; K213-W315 HydrophobicContact CG-CZ2 4.12Å; K213-W315 HydrophobicContact CG-CZ3 4.48Å; K213-E322 IonicContact NZ-OE1 3.04Å; K213-E322 PolarHBondContact NZ-OE1 3.29Å
214	R	97.4	Very high	97.9	Very high	174 Å²	174	34.8 Å²	34.8	66%	0.657	17%	0.165	S	C	*	.	H	α-helix	trans	-86.9	-18.7	179.6	-70.7	-71.4	-173	178.7	1.8	113.3	I166 A196 L210 G211 A212	I166-R214 HydrophobicContact CD1-CB 4.11Å; A196-R214 HydrophobicContact CB-CG 4.09Å; L210-R214 VanDerWaalsContact O-CG 3.29Å; L210-R214 WeakPolarHBondContact O-CG 3.4Å; L210-R214 PolarHBondContact O-N 3.16Å; G211-R214 PolarHBondContact O-N 3.48Å; G211-R214 VanDerWaalsContact O-N 3.13Å; A212-R214 PolarHBondContact O-N 3.1Å
215	S	97.9	Very high	98.1	Very high	18 Å²	18	33.1 Å²	33.1	13%	0.126	16%	0.157	C	C	.	.			trans	-83.6	148.7	-176.5	-174.9	0	0	0	0	112.7	A133 E164 G211 A212 S217	A133-S215 WeakPolarHBondContact CB-OG 3.41Å; E164-S215 VanDerWaalsContact OE1-CA 3.26Å; E164-S215 WeakPolarHBondContact OE1-CA 3.38Å; E164-S215 WeakPolarHBondContact OE1-CB 3.03Å; E164-S215 PolarHBondContact OE1-OG 3.06Å; G211-S215 PolarHBondContact O-N 3.34Å; A212-S215 PolarHBondContact O-N 3.11Å; S215-S217 PolarHBondContact OG-N 3.01Å; S215-S217 VanDerWaalsContact OG-N 3.08Å
216	T	96.3	Very high	98.2	Very high	118 Å²	118	34.1 Å²	34.1	72%	0.724	16%	0.161	S	C	*	.			trans	-114.2	8	168.7	59.1	0	0	0	0	113.3	Q163 E164	Q163-T216 PolarHBondContact NE2-OG1 2.71Å; E164-T216 PolarHBondContact OE1-N 2.83Å
217	S	98.5	Very high	98.3	Very high	5 Å²	5	31.2 Å²	31.2	4%	0.035	15%	0.15	C	C	.	.			trans	-74	158	-177.4	-62.7	0	0	0	0	113.1	V132 A133 Q163 S215 A311	V132-S217 PolarHBondContact O-OG 3.2Å; A133-S217 WeakPolarHBondContact CB-OG 2.95Å; A133-S217 PolarHBondContact N-OG 3.29Å; Q163-S217 VanDerWaalsContact CD-OG 3.29Å; Q163-S217 PolarHBondContact NE2-OG 2.93Å; S215-S217 PolarHBondContact OG-N 3.01Å; S215-S217 VanDerWaalsContact OG-N 3.08Å; S217-A311 VanDerWaalsContact O-CB 3.26Å; S217-A311 WeakPolarHBondContact O-CB 3.27Å
218	E	98.7	Very high	98.3	Very high	114 Å²	114	31.5 Å²	31.5	53%	0.533	15%	0.152	S	C	.	.	S	Bend	trans	-71.6	-34.3	-179.2	-63.7	176.4	85.2	0	0	112.8	P130 R131 S310 A311	P130-E218 HydrophobicContact CB-CB 3.91Å; R131-E218 PolarHBondContact N-OE2 3.18Å; R131-E218 PolarHBondContact O-N 3.25Å; E218-S310 WeakPolarHBondContact O-CA 3.26Å; E218-A311 PolarHBondContact O-N 3.49Å
219	V	98.9	Very high	98.3	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.5	177.4	174.2	0	0	0	0	109.9	P130 R131 V132 A133 V221 L238 I241 A308 I309	P130-V219 HydrophobicContact CB-CG2 3.9Å; P130-V219 HydrophobicContact CG-CG2 3.57Å; R131-V219 PolarHBondContact O-N 2.86Å; V132-V219 CarbonylContact C-O 3.57Å; V132-V219 VanDerWaalsContact CA-O 3.3Å; V132-V219 WeakPolarHBondContact CA-O 3.21Å; V132-V219 HydrophobicContact CG1-CB 4.13Å; V132-V219 HydrophobicContact CG1-CG1 4.35Å; A133-V219 PolarHBondContact N-O 2.88Å; V219-V221 HydrophobicContact CG1-CG2 4.27Å; V219-L238 HydrophobicContact CB-CD2 4.22Å; V219-L238 HydrophobicContact CG1-CD2 3.73Å; V219-L238 HydrophobicContact CG2-CD2 4.37Å; V219-I241 HydrophobicContact CG1-CD1 3.99Å; V219-I241 HydrophobicContact CG2-CG2 3.94Å; V219-A308 HydrophobicContact CG1-CB 4.22Å; V219-I309 WeakPolarHBondContact CA-O 3.24Å; V219-I309 WeakPolarHBondContact CG1-O 3.31Å
220	L	98.9	Very high	98.3	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.7	171.9	-53.1	-179.1	0	0	0	108.5	A133 I135 A212 F222 A308 I309 A311 F314	A133-L220 HydrophobicContact CB-CD2 4.39Å; I135-L220 HydrophobicContact CD1-CB 4.17Å; I135-L220 HydrophobicContact CD1-CD1 4.39Å; I135-L220 HydrophobicContact CD1-CD2 4.06Å; I135-L220 HydrophobicContact CD1-CG 4.43Å; A212-L220 HydrophobicContact CB-CD1 3.86Å; L220-F222 HydrophobicContact CB-CE2 3.87Å; L220-F222 HydrophobicContact CB-CZ 4.34Å; L220-F222 HydrophobicContact CD1-CE2 4.41Å; L220-F222 HydrophobicContact CD1-CZ 4.3Å; L220-A308 CarbonylContact O-C 3.55Å; L220-A308 WeakPolarHBondContact O-CA 3.47Å; L220-I309 HydrophobicContact CB-CG2 4.27Å; L220-I309 PolarHBondContact N-O 3.44Å; L220-I309 PolarHBondContact O-N 2.82Å; L220-A311 HydrophobicContact CD1-CB 4.32Å; L220-A311 HydrophobicContact CD2-CB 4.13Å; L220-A311 HydrophobicContact CG-CB 3.9Å; L220-F314 HydrophobicContact CD1-CB 4.32Å; L220-F314 HydrophobicContact CD1-CD1 3.83Å; L220-F314 HydrophobicContact CD1-CE1 4.4Å; L220-F314 HydrophobicContact CD1-CG 4.14Å
221	V	98.9	Very high	98.3	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.8	172.6	-175.7	0	0	0	0	108.1	V132 A133 V134 I135 V219 L223 W233 L234 F307 A308	V132-V221 HydrophobicContact CB-CG2 4.1Å; V132-V221 HydrophobicContact CG1-CG2 4.38Å; V132-V221 HydrophobicContact CG2-CG2 4.42Å; A133-V221 PolarHBondContact O-N 2.82Å; V134-V221 CarbonylContact C-O 3.34Å; V134-V221 WeakPolarHBondContact CA-O 3.42Å; V134-V221 HydrophobicContact CG2-CB 4.26Å; I135-V221 PolarHBondContact N-O 3.4Å; V219-V221 HydrophobicContact CG1-CG2 4.27Å; V221-L223 HydrophobicContact CG1-CD2 4.27Å; V221-L223 HydrophobicContact CG1-CG 4.29Å; V221-W233 HydrophobicContact CG1-CH2 3.87Å; V221-W233 HydrophobicContact CG1-CZ3 3.88Å; V221-L234 HydrophobicContact CG2-CD1 4.26Å; V221-F307 CarbonylContact C-O 3.53Å; V221-F307 WeakPolarHBondContact CA-O 3.32Å; V221-A308 HydrophobicContact CG2-CB 3.94Å
222	F	98.8	Very high	98.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	130.4	176.4	-64.8	-89.5	0	0	0	109.6	I135 R208 A212 L220 G305 Y306 F307 I309 F314	I135-F222 HydrophobicContact CB-CD1 3.86Å; I135-F222 HydrophobicContact CB-CE1 3.96Å; I135-F222 HydrophobicContact CD1-CD1 4.25Å; I135-F222 HydrophobicContact CD1-CE1 3.59Å; I135-F222 HydrophobicContact CD1-CE2 4.44Å; I135-F222 HydrophobicContact CD1-CZ 3.73Å; I135-F222 HydrophobicContact CG1-CE1 4.41Å; I135-F222 HydrophobicContact CG2-CD1 3.9Å; I135-F222 HydrophobicContact CG2-CE1 3.85Å; R208-F222 HydrophobicContact CB-CD1 3.96Å; R208-F222 HydrophobicContact CB-CE1 3.7Å; R208-F222 HydrophobicContact CG-CD1 3.82Å; R208-F222 HydrophobicContact CG-CE1 4.11Å; A212-F222 HydrophobicContact CB-CZ 4.1Å; L220-F222 HydrophobicContact CB-CE2 3.87Å; L220-F222 HydrophobicContact CB-CZ 4.34Å; L220-F222 HydrophobicContact CD1-CE2 4.41Å; L220-F222 HydrophobicContact CD1-CZ 4.3Å; F222-G305 CarbonylContact C-O 3.49Å; F222-Y306 WeakPolarHBondContact O-CA 3.3Å; F222-F307 HydrophobicContact CB-CD1 4.12Å; F222-F307 HydrophobicContact CB-CE1 3.75Å; F222-F307 HydrophobicContact CB-CZ 4.1Å; F222-F307 HydrophobicContact CD2-CD1 4.37Å; F222-F307 HydrophobicContact CD2-CD2 4.04Å; F222-F307 AromaticContact CD2-CE1 3.7Å; F222-F307 HydrophobicContact CD2-CE1 3.7Å; F222-F307 AromaticContact CD2-CE2 3.32Å; F222-F307 HydrophobicContact CD2-CE2 3.32Å; F222-F307 AromaticContact CD2-CZ 3.11Å; F222-F307 HydrophobicContact CD2-CZ 3.11Å; F222-F307 AromaticContact CE2-CE2 3.65Å; F222-F307 HydrophobicContact CE2-CE2 3.65Å; F222-F307 AromaticContact CE2-CZ 3.57Å; F222-F307 HydrophobicContact CE2-CZ 3.57Å; F222-F307 AromaticContact CG-CE1 3.87Å; F222-F307 HydrophobicContact CG-CE1 3.87Å; F222-F307 HydrophobicContact CG-CE2 4.31Å; F222-F307 AromaticContact CG-CZ 3.71Å; F222-F307 HydrophobicContact CG-CZ 3.71Å; F222-F307 HydrophobicContact CZ-CZ 4.47Å; F222-F307 PolarHBondContact N-O 2.82Å; F222-F307 PolarHBondContact O-N 3.16Å; F222-I309 HydrophobicContact CE2-CG2 4.32Å; F222-F314 HydrophobicContact CE2-CE2 4.39Å; F222-F314 HydrophobicContact CZ-CE2 4.39Å; F222-F314 HydrophobicContact CZ-CZ 4.2Å
223	L	98.7	Very high	98.3	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	14%	0.143	C	C	.	.			trans	-135.2	145.4	174	-57.3	179.4	0	0	0	109.1	V134 I135 P137 I153 V221 W233 Y306 V353	V134-L223 HydrophobicContact CG1-CD1 3.64Å; V134-L223 HydrophobicContact CG1-CG 3.96Å; I135-L223 PolarHBondContact O-N 3.02Å; P137-L223 WeakPolarHBondContact CD-O 3.18Å; I153-L223 HydrophobicContact CD1-CD1 3.88Å; I153-L223 HydrophobicContact CG1-CD1 3.98Å; V221-L223 HydrophobicContact CG1-CD2 4.27Å; V221-L223 HydrophobicContact CG1-CG 4.29Å; L223-W233 HydrophobicContact CD1-CH2 3.89Å; L223-W233 HydrophobicContact CD1-CZ3 4.22Å; L223-W233 HydrophobicContact CD2-CZ3 4.18Å; L223-Y306 HydrophobicContact CB-CE1 4.44Å; L223-Y306 HydrophobicContact CD2-CD1 3.6Å; L223-Y306 HydrophobicContact CD2-CE1 4.14Å; L223-V353 HydrophobicContact CD2-CG1 4.34Å; L223-V353 HydrophobicContact CD2-CG2 4.29Å
224	D	97.7	Very high	98.3	Very high	26 Å²	26	24.1 Å²	24.1	14%	0.139	12%	0.118	C	C	.	.			trans	-73.9	156.9	171.9	-67.7	-19.2	0	0	0	111.1	R208 H226 S227	R208-D224 IonicContact NH2-OD1 3.44Å; R208-D224 PolarHBondContact NH2-OD1 2.98Å; D224-H226 PolarHBondContact O-N 2.87Å; D224-S227 WeakPolarHBondContact O-CB 3.24Å; D224-S227 PolarHBondContact O-OG 2.94Å
225	S	98.2	Very high	98.4	Very high	5 Å²	5	15.9 Å²	15.9	4%	0.035	9%	0.087	C	C	.	.	S	Bend	trans	-70.6	4	-172.4	47.7	0	0	0	0	116.5	I136 P137 E141 T149	I136-S225 VanDerWaalsContact CG2-CA 3.5Å; P137-S225 PolarHBondContact O-OG 2.69Å; E141-S225 PolarHBondContact OE2-OG 2.98Å; T149-S225 PolarHBondContact OG1-O 2.74Å; T149-S225 VanDerWaalsContact OG1-O 3.06Å
226	H	98.3	Very high	98.4	Very high	20 Å²	20	15.2 Å²	15.2	9%	0.093	8%	0.082	C	C	.	.	S	Bend	trans	-134.4	57.8	-176.7	37.1	-83.8	0	0	0	109.8	E141 V145 D224 H355 I356 R358	E141-H226 IonicContact OE1-ND1 3.18Å; E141-H226 IonicContact OE2-CE1 3.66Å; E141-H226 PolarHBondContact OE2-CE1 3.03Å; E141-H226 IonicContact OE2-CG 2.7Å; E141-H226 IonicContact OE2-ND1 3.05Å; E141-H226 PolarHBondContact OE2-ND1 3Å; V145-H226 HydrophobicContact CG1-CB 3.39Å; D224-H226 PolarHBondContact O-N 2.87Å; H226-H355 AromaticContact CD2-CD2 3.42Å; H226-H355 PolarHBondContact CD2-CD2 2.89Å; H226-H355 VanDerWaalsContact CD2-CD2 3.42Å; H226-H355 AromaticContact CD2-NE2 3.38Å; H226-H355 PolarHBondContact CD2-NE2 2.75Å; H226-H355 AromaticContact NE2-CD2 3.78Å; H226-H355 AromaticContact NE2-NE2 3.32Å; H226-H355 PolarHBondContact NE2-NE2 2.71Å; H226-I356 HydrophobicContact CB-CB 4.15Å; H226-I356 HydrophobicContact CB-CD1 3.96Å; H226-I356 HydrophobicContact CB-CG1 4.16Å; H226-I356 PolarHBondContact O-N 3.47Å; H226-I356 VanDerWaalsContact O-N 3.09Å; H226-R358 PolarHBondContact CE1-NH2 3.48Å; H226-R358 VanDerWaalsContact CE1-NH2 3.28Å; H226-R358 PolarHBondContact ND1-NH2 3.45Å; H226-R358 VanDerWaalsContact ND1-NH2 3.12Å
227	S	98.5	Very high	98.5	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.007	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.4	-172.6	-51.4	0	0	0	0	112.5	T149 D224 Y306 G354	T149-S227 WeakPolarHBondContact CA-O 3.42Å; T149-S227 WeakPolarHBondContact CB-O 3.4Å; T149-S227 PolarHBondContact OG1-N 2.96Å; T149-S227 PolarHBondContact OG1-O 2.89Å; T149-S227 VanDerWaalsContact OG1-O 3.06Å; D224-S227 WeakPolarHBondContact O-CB 3.24Å; D224-S227 PolarHBondContact O-OG 2.94Å; S227-Y306 VanDerWaalsContact OG-CE1 3.25Å; S227-Y306 WeakPolarHBondContact OG-CE1 3.19Å; S227-Y306 PolarHBondContact OG-OH 3.18Å; S227-G354 CarbonylContact C-O 3.58Å; S227-G354 WeakPolarHBondContact CA-O 3.32Å; S227-G354 WeakPolarHBondContact CB-O 3.48Å
228	E	98.8	Very high	98.6	Very high	5 Å²	5	9.4 Å²	9.4	2%	0.023	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	109.5	170	-66.6	179.3	-125.3	0	0	109.7	R110 R148 I256 Y263 G354	R110-E228 IonicContact CZ-OE1 2.84Å; R110-E228 VanDerWaalsContact CZ-OE1 3.31Å; R110-E228 IonicContact CZ-OE2 3.69Å; R110-E228 IonicContact NE-OE1 3.81Å; R110-E228 PolarHBondContact NE-OE1 3.09Å; R110-E228 VanDerWaalsContact NE-OE1 3.15Å; R110-E228 IonicContact NE-OE2 3.65Å; R110-E228 PolarHBondContact NE-OE2 3.4Å; R110-E228 IonicContact NH2-OE1 2.71Å; R110-E228 PolarHBondContact NH2-OE1 2.93Å; R110-E228 IonicContact NH2-OE2 2.86Å; R148-E228 VanDerWaalsContact CD-CD 3.49Å; R148-E228 WeakPolarHBondContact CD-OE1 3.3Å; R148-E228 HydrophobicContact CG-CG 4.1Å; E228-I256 HydrophobicContact CB-CD1 3.94Å; E228-I256 HydrophobicContact CG-CD1 3.85Å; E228-Y263 HydrophobicContact CB-CE2 4.5Å; E228-G354 PolarHBondContact N-O 2.76Å; E228-G354 PolarHBondContact O-N 2.74Å
229	C	98.8	Very high	98.5	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	140.6	177.3	-60.3	0	0	0	0	110.4	S152 R156 W233	S152-C229 PolarHBondContact OG-N 2.93Å; R156-C229 WeakPolarHBondContact CD-O 3.47Å; R156-C229 PolarHBondContact NE-O 3.32Å; R156-C229 PolarHBondContact NH1-O 2.74Å; C229-W233 HydrophobicContact CB-CD2 3.86Å; C229-W233 HydrophobicContact CB-CG 3.78Å; C229-W233 VanDerWaalsContact SG-CE2 3.59Å
230	N	98.3	Very high	98.5	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.027	C	C	.	.			trans	-88.9	-179.2	174.1	-145.1	-48.5	0	0	0	111.3	K113 W233 Y263 H352	K113-N230 PolarHBondContact O-ND2 3.37Å; N230-W233 WeakPolarHBondContact O-CB 3.08Å; N230-Y263 WeakPolarHBondContact ND2-CE1 3.42Å; N230-Y263 PolarHBondContact ND2-OH 2.83Å; N230-H352 HydrophobicContact CB-CB 3.76Å; N230-H352 WeakPolarHBondContact CB-O 3.13Å; N230-H352 PolarHBondContact N-O 3.49Å
231	Y	98	Very high	98.5	Very high	7 Å²	7	5.2 Å²	5.2	3%	0.027	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	138.9	-179.6	-56.6	-70	0	0	0	112.2	L60 D64 V112 D114 R116 W233	L60-Y231 HydrophobicContact CD2-CD1 4.34Å; L60-Y231 HydrophobicContact CD2-CE1 4.43Å; L60-Y231 HydrophobicContact CG-CE1 4.34Å; D64-Y231 HydrophobicContact CB-CE1 4.22Å; D64-Y231 WeakPolarHBondContact CB-OH 2.89Å; D64-Y231 WeakPolarHBondContact OD2-CE1 3.3Å; D64-Y231 PolarHBondContact OD2-OH 2.86Å; V112-Y231 HydrophobicContact CG2-CE2 4.29Å; V112-Y231 VanDerWaalsContact O-CE2 3.24Å; V112-Y231 WeakPolarHBondContact O-CE2 3.2Å; V112-Y231 PolarHBondContact O-OH 2.93Å; V112-Y231 VanDerWaalsContact O-OH 3.11Å; D114-Y231 HydrophobicContact CB-CD2 4.01Å; D114-Y231 HydrophobicContact CB-CE2 4.47Å; R116-Y231 PolarHBondContact NH1-O 2.81Å; Y231-W233 PolarHBondContact O-N 2.74Å; Y231-W233 VanDerWaalsContact O-N 3.1Å
232	N	98.2	Very high	98.5	Very high	9 Å²	9	6.8 Å²	6.8	5%	0.048	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	35.9	178.3	-165.5	24.6	0	0	0	113.8	E56 P235 P236	E56-N232 VanDerWaalsContact CD-ND2 3.25Å; E56-N232 WeakPolarHBondContact OE1-CB 3.49Å; E56-N232 PolarHBondContact OE1-ND2 3.05Å; E56-N232 WeakPolarHBondContact OE2-CB 3.45Å; N232-P235 WeakPolarHBondContact OD1-CD 3.03Å; N232-P235 VanDerWaalsContact OD1-CG 3.23Å; N232-P235 WeakPolarHBondContact OD1-CG 3.4Å; N232-P236 WeakPolarHBondContact O-CD 3.22Å; N232-P236 VanDerWaalsContact O-CG 3.3Å; N232-P236 WeakPolarHBondContact O-CG 3.09Å
233	W	98.6	Very high	98.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.066	C	C	.	.			trans	-70.6	-32.2	-175.6	74.4	-73.4	0	0	0	113.1	V134 I153 S157 V221 L223 C229 N230 Y231 P236 L237 S351 V353	V134-W233 HydrophobicContact CG2-CH2 4.41Å; I153-W233 HydrophobicContact CG2-CZ2 4.37Å; S157-W233 PolarHBondContact OG-NE1 3.4Å; S157-W233 VanDerWaalsContact OG-NE1 3.13Å; V221-W233 HydrophobicContact CG1-CH2 3.87Å; V221-W233 HydrophobicContact CG1-CZ3 3.88Å; L223-W233 HydrophobicContact CD1-CH2 3.89Å; L223-W233 HydrophobicContact CD1-CZ3 4.22Å; L223-W233 HydrophobicContact CD2-CZ3 4.18Å; C229-W233 HydrophobicContact CB-CD2 3.86Å; C229-W233 HydrophobicContact CB-CG 3.78Å; C229-W233 VanDerWaalsContact SG-CE2 3.59Å; N230-W233 WeakPolarHBondContact O-CB 3.08Å; Y231-W233 PolarHBondContact O-N 2.74Å; Y231-W233 VanDerWaalsContact O-N 3.1Å; W233-P236 WeakPolarHBondContact O-CG 3.37Å; W233-L237 HydrophobicContact CE3-CD1 3.58Å; W233-L237 HydrophobicContact CZ3-CD1 3.55Å; W233-S351 VanDerWaalsContact O-CB 3.27Å; W233-S351 WeakPolarHBondContact O-CB 3.12Å; W233-S351 PolarHBondContact O-OG 3.23Å; W233-V353 HydrophobicContact CE3-CG2 3.84Å; W233-V353 HydrophobicContact CZ3-CG2 4.35Å
234	L	98.8	Very high	98.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-78.5	-49.4	-168.5	-175.7	62	0	0	0	113.7	V132 L161 V221 L237 L238	V132-L234 HydrophobicContact CG1-CD1 4.24Å; V132-L234 HydrophobicContact CG1-CD2 4.49Å; V132-L234 HydrophobicContact CG2-CD1 4.28Å; V132-L234 HydrophobicContact CG2-CD2 3.95Å; L161-L234 HydrophobicContact CB-CD2 4.01Å; V221-L234 HydrophobicContact CG2-CD1 4.26Å; L234-L237 WeakPolarHBondContact O-CB 3.46Å; L234-L237 PolarHBondContact O-N 2.84Å; L234-L238 HydrophobicContact CD1-CD1 4.06Å; L234-L238 HydrophobicContact CD1-CD2 4.22Å; L234-L238 HydrophobicContact CD1-CG 4.04Å; L234-L238 HydrophobicContact CD2-CD1 4.32Å; L234-L238 HydrophobicContact CG-CD1 3.82Å; L234-L238 HydrophobicContact CG-CG 4.19Å; L234-L238 WeakPolarHBondContact O-CG 3.27Å; L234-L238 PolarHBondContact O-N 3.06Å
235	P	98.7	Very high	98.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-53.6	-44.4	179.9	-28.3	39.4	0	0	0	115.7	W55 Y125 L129 P158 L161 N232 L237 L238 D239	W55-P235 HydrophobicContact CB-CB 3.99Å; W55-P235 HydrophobicContact CB-CG 3.54Å; W55-P235 HydrophobicContact CD2-CG 4.09Å; W55-P235 HydrophobicContact CE3-CG 4.45Å; W55-P235 HydrophobicContact CG-CB 3.94Å; W55-P235 HydrophobicContact CG-CG 3.73Å; Y125-P235 HydrophobicContact CD2-CB 3.78Å; Y125-P235 HydrophobicContact CE2-CB 4.28Å; Y125-P235 HydrophobicContact CG-CB 4.1Å; L129-P235 HydrophobicContact CD1-CB 3.88Å; P158-P235 HydrophobicContact CG-CG 4.29Å; L161-P235 HydrophobicContact CD1-CG 4.31Å; N232-P235 WeakPolarHBondContact OD1-CD 3.03Å; N232-P235 VanDerWaalsContact OD1-CG 3.23Å; N232-P235 WeakPolarHBondContact OD1-CG 3.4Å; P235-L237 PolarHBondContact O-N 2.93Å; P235-L238 PolarHBondContact O-N 3.17Å; P235-D239 WeakPolarHBondContact O-CB 3.37Å; P235-D239 PolarHBondContact O-N 3.32Å
236	P	98.6	Very high	98.4	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.032	10%	0.101	C	C	.	.	H	α-helix	trans	-64.4	-19.9	175.3	17.1	-25.4	0	0	0	114.5	Y125 N232 W233 P240 C350	Y125-P236 HydrophobicContact CE1-CB 3.7Å; Y125-P236 HydrophobicContact CE1-CG 4.46Å; N232-P236 WeakPolarHBondContact O-CD 3.22Å; N232-P236 VanDerWaalsContact O-CG 3.3Å; N232-P236 WeakPolarHBondContact O-CG 3.09Å; W233-P236 WeakPolarHBondContact O-CG 3.37Å; P236-P240 VanDerWaalsContact O-CD 3.26Å; P236-P240 WeakPolarHBondContact O-CD 3.49Å; P236-C350 HydrophobicContact CB-CB 4.12Å; P236-C350 HydrophobicContact CG-CB 4.3Å
237	L	98.4	Very high	98.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-77.4	-37.1	170.9	-66.4	176.1	0	0	0	112.1	W233 L234 P235 V249 P251 A308 A348 S351	W233-L237 HydrophobicContact CE3-CD1 3.58Å; W233-L237 HydrophobicContact CZ3-CD1 3.55Å; L234-L237 WeakPolarHBondContact O-CB 3.46Å; L234-L237 PolarHBondContact O-N 2.84Å; P235-L237 PolarHBondContact O-N 2.93Å; L237-V249 HydrophobicContact CD2-CB 4.18Å; L237-V249 HydrophobicContact CD2-CG1 3.64Å; L237-V249 WeakPolarHBondContact O-CG2 3.17Å; L237-P251 HydrophobicContact CD2-CB 4.07Å; L237-A308 HydrophobicContact CB-CB 4.1Å; L237-A348 HydrophobicContact CD2-CB 4.41Å; L237-S351 VanDerWaalsContact CG-OG 3.26Å; L237-S351 WeakPolarHBondContact CG-OG 3.01Å
238	L	98.8	Very high	98.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-85.7	-32.2	-172.7	-57.9	-178.3	0	0	0	113	L129 P130 V132 L161 V219 L234 P235 I241 A242	L129-L238 HydrophobicContact CB-CB 4.4Å; L129-L238 HydrophobicContact CB-CD1 4.36Å; L129-L238 HydrophobicContact CD1-CB 4.39Å; L129-L238 HydrophobicContact CD2-CB 4.03Å; P130-L238 WeakPolarHBondContact O-CD1 3.41Å; V132-L238 HydrophobicContact CG1-CD1 3.55Å; V132-L238 HydrophobicContact CG1-CD2 3.5Å; V132-L238 VanDerWaalsContact CG1-CD2 3.5Å; V132-L238 HydrophobicContact CG1-CG 4.12Å; L161-L238 HydrophobicContact CD1-CD1 4.12Å; V219-L238 HydrophobicContact CB-CD2 4.22Å; V219-L238 HydrophobicContact CG1-CD2 3.73Å; V219-L238 HydrophobicContact CG2-CD2 4.37Å; L234-L238 HydrophobicContact CD1-CD1 4.06Å; L234-L238 HydrophobicContact CD1-CD2 4.22Å; L234-L238 HydrophobicContact CD1-CG 4.04Å; L234-L238 HydrophobicContact CD2-CD1 4.32Å; L234-L238 HydrophobicContact CG-CD1 3.82Å; L234-L238 HydrophobicContact CG-CG 4.19Å; L234-L238 WeakPolarHBondContact O-CG 3.27Å; L234-L238 PolarHBondContact O-N 3.06Å; P235-L238 PolarHBondContact O-N 3.17Å; L238-I241 CarbonylContact O-C 3.57Å; L238-I241 WeakPolarHBondContact O-CB 3.39Å; L238-I241 PolarHBondContact O-N 3.41Å; L238-A242 WeakPolarHBondContact O-CB 3.31Å; L238-A242 PolarHBondContact O-N 3.33Å
239	D	98.4	Very high	98.5	Very high	9 Å²	9	21.1 Å²	21.1	5%	0.048	10%	0.096	C	C	.	.	H	α-helix	trans	-58.2	-42	-176.1	178.9	78.8	0	0	0	113.5	Y125 K126 L129 P235 A242 R243	Y125-D239 HydrophobicContact CD1-CB 3.71Å; Y125-D239 HydrophobicContact CG-CB 4.29Å; K126-D239 PolarHBondContact N-OD1 2.96Å; L129-D239 HydrophobicContact CD2-CB 4.21Å; P235-D239 WeakPolarHBondContact O-CB 3.37Å; P235-D239 PolarHBondContact O-N 3.32Å; D239-A242 PolarHBondContact O-N 2.76Å; D239-R243 VanDerWaalsContact CG-NH2 3.3Å; D239-R243 WeakPolarHBondContact O-CG 3.32Å; D239-R243 PolarHBondContact O-N 3.06Å; D239-R243 IonicContact OD1-CZ 3.77Å; D239-R243 IonicContact OD1-NH2 3.17Å; D239-R243 PolarHBondContact OD1-NH2 3.29Å; D239-R243 VanDerWaalsContact OD1-NH2 3.17Å; D239-R243 IonicContact OD2-CZ 2.95Å; D239-R243 IonicContact OD2-NH1 2.78Å; D239-R243 PolarHBondContact OD2-NH1 3.03Å; D239-R243 IonicContact OD2-NH2 2.7Å; D239-R243 PolarHBondContact OD2-NH2 3.29Å
240	P	98.4	Very high	98.5	Very high	14 Å²	14	21.4 Å²	21.4	9%	0.091	10%	0.097	C	C	.	.	H	α-helix	trans	-65.5	-38.7	171.1	-20.2	32.8	0	0	0	113.4	P236 A242 R243 D244 T247 V249 P296	P236-P240 VanDerWaalsContact O-CD 3.26Å; P236-P240 WeakPolarHBondContact O-CD 3.49Å; P240-A242 VanDerWaalsContact C-N 3.33Å; P240-R243 PolarHBondContact O-N 2.8Å; P240-R243 VanDerWaalsContact O-N 3.16Å; P240-D244 PolarHBondContact O-N 2.75Å; P240-T247 HydrophobicContact CB-CG2 3.94Å; P240-V249 HydrophobicContact CB-CG2 3.75Å; P240-V249 HydrophobicContact CG-CG1 4.48Å; P240-V249 HydrophobicContact CG-CG2 3.95Å; P240-P296 HydrophobicContact CG-CG 4.09Å
241	I	98.8	Very high	98.5	Very high	6 Å²	6	21.5 Å²	21.5	3%	0.031	10%	0.098	C	C	.	.	H	α-helix	trans	-67.3	-37.2	179.2	-55.9	178	0	0	0	110.8	V219 L238 R243 D244 Y245 V249 A308	V219-I241 HydrophobicContact CG1-CD1 3.99Å; V219-I241 HydrophobicContact CG2-CG2 3.94Å; L238-I241 CarbonylContact O-C 3.57Å; L238-I241 WeakPolarHBondContact O-CB 3.39Å; L238-I241 PolarHBondContact O-N 3.41Å; I241-R243 PolarHBondContact O-N 2.96Å; I241-D244 CarbonylContact O-C 3.16Å; I241-D244 PolarHBondContact O-N 3.11Å; I241-Y245 WeakPolarHBondContact O-CA 3.19Å; I241-Y245 PolarHBondContact O-N 2.77Å; I241-Y245 VanDerWaalsContact O-N 3.13Å; I241-V249 HydrophobicContact CD1-CG2 4.18Å; I241-V249 HydrophobicContact CG1-CG2 3.72Å; I241-A308 HydrophobicContact CD1-CB 3.62Å
242	A	98	Very high	98.5	Very high	34 Å²	34	22.1 Å²	22.1	28%	0.281	10%	0.101	S	C	.	.	H	α-helix	trans	-69.8	-19	175.6	0	0	0	0	0	112.8	K126 L129 L238 D239 P240	K126-A242 HydrophobicContact CD-CB 3.95Å; K126-A242 PolarHBondContact NZ-O 2.96Å; L129-A242 HydrophobicContact CD2-CB 4.02Å; L238-A242 WeakPolarHBondContact O-CB 3.31Å; L238-A242 PolarHBondContact O-N 3.33Å; D239-A242 PolarHBondContact O-N 2.76Å; P240-A242 VanDerWaalsContact C-N 3.33Å
243	R	97	Very high	98.4	Very high	140 Å²	140	22.9 Å²	22.9	53%	0.528	11%	0.106	S	C	.	.	H	α-helix	trans	-85.3	-40.2	170.8	-69.5	-176.1	-173.6	110.7	12.5	111.9	K126 D239 P240 I241	K126-R243 VanDerWaalsContact CE-CG 3.45Å; D239-R243 VanDerWaalsContact CG-NH2 3.3Å; D239-R243 WeakPolarHBondContact O-CG 3.32Å; D239-R243 PolarHBondContact O-N 3.06Å; D239-R243 IonicContact OD1-CZ 3.77Å; D239-R243 IonicContact OD1-NH2 3.17Å; D239-R243 PolarHBondContact OD1-NH2 3.29Å; D239-R243 VanDerWaalsContact OD1-NH2 3.17Å; D239-R243 IonicContact OD2-CZ 2.95Å; D239-R243 IonicContact OD2-NH1 2.78Å; D239-R243 PolarHBondContact OD2-NH1 3.03Å; D239-R243 IonicContact OD2-NH2 2.7Å; D239-R243 PolarHBondContact OD2-NH2 3.29Å; P240-R243 PolarHBondContact O-N 2.8Å; P240-R243 VanDerWaalsContact O-N 3.16Å; I241-R243 PolarHBondContact O-N 2.96Å
244	D	98.2	Very high	98.4	Very high	52 Å²	52	23 Å²	23	28%	0.278	11%	0.107	S	C	.	.			trans	-146	109.9	175.9	173.9	11.2	0	0	0	109.5	P240 I241 R246 T247 Q344	P240-D244 PolarHBondContact O-N 2.75Å; I241-D244 CarbonylContact O-C 3.16Å; I241-D244 PolarHBondContact O-N 3.11Å; D244-R246 PolarHBondContact O-N 2.82Å; D244-R246 WeakPolarHBondContact OD1-CB 3.23Å; D244-R246 PolarHBondContact OD1-N 2.83Å; D244-T247 WeakPolarHBondContact O-CB 3.45Å; D244-T247 PolarHBondContact O-N 3.2Å; D244-T247 PolarHBondContact O-OG1 3.23Å; D244-Q344 PolarHBondContact OD2-NE2 3.24Å
245	Y	98.5	Very high	98.3	Very high	64 Å²	64	23.6 Å²	23.6	25%	0.251	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-14.9	-176.9	83.2	-85.7	0	0	0	113.2	I241 T247 S310 K312 W313 Q316	I241-Y245 WeakPolarHBondContact O-CA 3.19Å; I241-Y245 PolarHBondContact O-N 2.77Å; I241-Y245 VanDerWaalsContact O-N 3.13Å; Y245-T247 VanDerWaalsContact C-N 3.28Å; Y245-S310 VanDerWaalsContact O-CB 3.24Å; Y245-S310 WeakPolarHBondContact O-CB 3.49Å; Y245-K312 HydrophobicContact CD2-CD 4.2Å; Y245-K312 HydrophobicContact CD2-CG 4.43Å; Y245-K312 HydrophobicContact CE2-CD 4.02Å; Y245-K312 HydrophobicContact CE2-CG 4.18Å; Y245-W313 HydrophobicContact CD2-CB 3.97Å; Y245-W313 HydrophobicContact CE2-CB 4.16Å; Y245-W313 HydrophobicContact CE2-CE3 4.28Å; Y245-W313 WeakPolarHBondContact O-CB 3.41Å; Y245-Q316 PolarHBondContact OH-OE1 2.66Å; Y245-Q316 VanDerWaalsContact OH-OE1 3.12Å
246	R	98.8	Very high	98.3	Very high	102 Å²	102	23.6 Å²	23.6	39%	0.385	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	3.5	175	-57.1	-175.2	-179	158.5	1.5	113.7	D244 W313 G343 Q344	D244-R246 PolarHBondContact O-N 2.82Å; D244-R246 WeakPolarHBondContact OD1-CB 3.23Å; D244-R246 PolarHBondContact OD1-N 2.83Å; R246-W313 HydrophobicContact CB-CD2 4.08Å; R246-W313 HydrophobicContact CB-CG 4.33Å; R246-W313 HydrophobicContact CB-CZ2 4.24Å; R246-W313 HydrophobicContact CG-CD2 3.9Å; R246-W313 HydrophobicContact CG-CE3 3.96Å; R246-W313 HydrophobicContact CG-CG 4.38Å; R246-W313 HydrophobicContact CG-CH2 4.45Å; R246-W313 HydrophobicContact CG-CZ2 4.35Å; R246-W313 HydrophobicContact CG-CZ3 4.26Å; R246-W313 PolarHBondContact O-NE1 3.18Å; R246-W313 VanDerWaalsContact O-NE1 3.15Å; R246-G343 VanDerWaalsContact O-CA 3.28Å; R246-G343 WeakPolarHBondContact O-CA 3.37Å; R246-Q344 PolarHBondContact O-N 3.17Å
247	T	98.9	Very high	98.3	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.012	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	132.8	173	-52.6	0	0	0	0	110.5	P240 D244 Y245 V249 Q344 V346	P240-T247 HydrophobicContact CB-CG2 3.94Å; D244-T247 WeakPolarHBondContact O-CB 3.45Å; D244-T247 PolarHBondContact O-N 3.2Å; D244-T247 PolarHBondContact O-OG1 3.23Å; Y245-T247 VanDerWaalsContact C-N 3.28Å; T247-V249 HydrophobicContact CG2-CG2 3.74Å; T247-Q344 CarbonylContact C-O 3.58Å; T247-Q344 WeakPolarHBondContact CA-O 3.22Å; T247-Q344 HydrophobicContact CG2-CG 3.95Å; T247-Q344 VanDerWaalsContact OG1-CG 3.31Å; T247-Q344 WeakPolarHBondContact OG1-CG 3.46Å; T247-Q344 PolarHBondContact OG1-NE2 3.1Å; T247-Q344 VanDerWaalsContact OG1-NE2 3.1Å; T247-V346 HydrophobicContact CG2-CG2 3.79Å
248	V	98.9	Very high	98.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.5	166.1	-177.2	0	0	0	0	107.8	M302 F307 A308 I309 V338 Q344 L345 V346	V248-M302 HydrophobicContact CG1-CE 3.73Å; V248-F307 HydrophobicContact CG1-CB 4.08Å; V248-F307 HydrophobicContact CG1-CD2 3.9Å; V248-F307 HydrophobicContact CG1-CG 4.35Å; V248-A308 WeakPolarHBondContact CA-O 3.43Å; V248-I309 HydrophobicContact CG1-CB 4.48Å; V248-I309 HydrophobicContact CG2-CB 4.16Å; V248-I309 HydrophobicContact CG2-CD1 3.52Å; V248-I309 HydrophobicContact CG2-CG1 3.77Å; V248-V338 HydrophobicContact CB-CG1 4.49Å; V248-V338 HydrophobicContact CB-CG2 4.39Å; V248-V338 HydrophobicContact CG2-CB 4.43Å; V248-V338 HydrophobicContact CG2-CG1 4.04Å; V248-V338 HydrophobicContact CG2-CG2 3.47Å; V248-V338 VanDerWaalsContact CG2-CG2 3.47Å; V248-Q344 PolarHBondContact N-O 3.09Å; V248-L345 HydrophobicContact CB-CD1 3.74Å; V248-L345 HydrophobicContact CG1-CD1 3.64Å; V248-L345 WeakPolarHBondContact O-CA 3.13Å; V248-V346 PolarHBondContact O-N 3.04Å
249	V	98.9	Very high	98.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.4	-174.4	-168.7	0	0	0	0	110.3	L237 P240 I241 T247 F307 A308 V346 A348	L237-V249 HydrophobicContact CD2-CB 4.18Å; L237-V249 HydrophobicContact CD2-CG1 3.64Å; L237-V249 WeakPolarHBondContact O-CG2 3.17Å; P240-V249 HydrophobicContact CB-CG2 3.75Å; P240-V249 HydrophobicContact CG-CG1 4.48Å; P240-V249 HydrophobicContact CG-CG2 3.95Å; I241-V249 HydrophobicContact CD1-CG2 4.18Å; I241-V249 HydrophobicContact CG1-CG2 3.72Å; T247-V249 HydrophobicContact CG2-CG2 3.74Å; V249-F307 CarbonylContact O-C 3.52Å; V249-F307 VanDerWaalsContact O-CA 3.25Å; V249-F307 WeakPolarHBondContact O-CA 3.36Å; V249-A308 PolarHBondContact N-O 2.86Å; V249-A308 PolarHBondContact O-N 2.78Å; V249-V346 CarbonylContact C-O 3.55Å; V249-V346 VanDerWaalsContact CA-O 3.28Å; V249-V346 WeakPolarHBondContact CA-O 3.28Å; V249-V346 HydrophobicContact CB-CG2 4.32Å; V249-V346 HydrophobicContact CG1-CG2 4.11Å; V249-V346 HydrophobicContact CG2-CG2 3.87Å; V249-A348 HydrophobicContact CG1-CB 3.59Å
250	C	98.8	Very high	98	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.034	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.3	173.3	-69.2	0	0	0	0	110.4	M302 Y306 V346 D347 A348	C250-M302 VanDerWaalsContact SG-CB 3.56Å; C250-Y306 PolarHBondContact SG-O 2.54Å; C250-V346 PolarHBondContact N-O 2.95Å; C250-D347 CarbonylContact O-C 3.45Å; C250-D347 VanDerWaalsContact O-CA 3.32Å; C250-D347 WeakPolarHBondContact O-CA 3.24Å; C250-A348 PolarHBondContact O-N 2.98Å
251	P	98.5	Very high	98	Very high	3 Å²	3	31 Å²	31	2%	0.019	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	165.9	166.4	33.9	-34.5	0	0	0	110.3	L237 Y306 S351 V353	L237-P251 HydrophobicContact CD2-CB 4.07Å; P251-Y306 WeakPolarHBondContact CD-O 3.39Å; P251-S351 CarbonylContact C-O 3.3Å; P251-S351 WeakPolarHBondContact CA-O 3.19Å; P251-S351 WeakPolarHBondContact CB-O 3.41Å; P251-S351 WeakPolarHBondContact CB-OG 3.35Å; P251-V353 HydrophobicContact CB-CG2 4.01Å; P251-V353 HydrophobicContact CG-CB 4.45Å; P251-V353 HydrophobicContact CG-CG2 3.94Å
252	F	97.6	Very high	98	Very high	19 Å²	19	33.5 Å²	33.5	8%	0.083	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	132	160.4	-81.9	20.4	0	0	0	109.6	F297 D347 P349 S351 H352 V353	F252-F297 AromaticContact CE1-CE1 3.59Å; F252-F297 HydrophobicContact CE1-CE1 3.59Å; F252-F297 AromaticContact CE1-CZ 3.86Å; F252-F297 HydrophobicContact CE1-CZ 3.86Å; F252-F297 AromaticContact CZ-CE1 3.76Å; F252-F297 HydrophobicContact CZ-CE1 3.76Å; F252-F297 HydrophobicContact CZ-CZ 4.23Å; F252-D347 HydrophobicContact CE1-CB 4.25Å; F252-P349 HydrophobicContact CE1-CB 4.07Å; F252-P349 HydrophobicContact CE1-CG 4.04Å; F252-P349 HydrophobicContact CE2-CB 4.08Å; F252-P349 HydrophobicContact CZ-CB 3.7Å; F252-P349 HydrophobicContact CZ-CG 3.87Å; F252-S351 PolarHBondContact N-O 2.82Å; F252-H352 AromaticContact CD2-CE1 3.78Å; F252-H352 AromaticContact CD2-NE2 3.93Å; F252-H352 WeakPolarHBondContact O-CA 3.3Å; F252-V353 PolarHBondContact O-N 3.36Å
253	V	97.3	Very high	98	Very high	25 Å²	25	31.9 Å²	31.9	15%	0.152	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	104.9	179.1	-174.7	0	0	0	0	108.4	Q266 Y306 V353 H355	V253-Q266 PolarHBondContact O-OE1 3.27Å; V253-Y306 HydrophobicContact CG1-CD2 4.08Å; V253-Y306 HydrophobicContact CG1-CE2 3.95Å; V253-Y306 HydrophobicContact CG2-CD2 3.59Å; V253-Y306 HydrophobicContact CG2-CE2 4.3Å; V253-Y306 HydrophobicContact CG2-CG 3.77Å; V253-V353 CarbonylContact C-O 3.52Å; V253-V353 WeakPolarHBondContact CA-O 3.49Å; V253-H355 HydrophobicContact CG1-CB 3.57Å
254	D	97.6	Very high	98	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	166.5	177.3	-66.2	-40.7	0	0	0	111.2	V115 Y263 I265 H352 V353 H355	V115-D254 VanDerWaalsContact CG2-OD2 3.29Å; V115-D254 WeakPolarHBondContact CG2-OD2 3.46Å; D254-Y263 HydrophobicContact CB-CE1 3.86Å; D254-Y263 PolarHBondContact OD2-OH 2.86Å; D254-I265 WeakPolarHBondContact OD1-CA 3.25Å; D254-H352 IonicContact OD1-CE1 2.85Å; D254-H352 IonicContact OD1-ND1 3.24Å; D254-H352 PolarHBondContact OD1-ND1 3.26Å; D254-H352 WeakPolarHBondContact OD2-CB 3.47Å; D254-H352 IonicContact OD2-CE1 3.81Å; D254-H352 IonicContact OD2-CG 3.02Å; D254-H352 IonicContact OD2-ND1 2.94Å; D254-H352 PolarHBondContact OD2-ND1 2.66Å; D254-V353 PolarHBondContact N-O 3.42Å; D254-H355 PolarHBondContact O-N 2.99Å
255	V	97.7	Very high	97.9	Very high	13 Å²	13	29.9 Å²	29.9	8%	0.079	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127	179.8	-179.9	0	0	0	0	109.7	Y263 R264 Q266 Y357	V255-Y263 CarbonylContact O-C 3.51Å; V255-Y263 WeakPolarHBondContact O-CA 3.14Å; V255-R264 HydrophobicContact CB-CG 4.09Å; V255-R264 PolarHBondContact N-O 2.72Å; V255-R264 PolarHBondContact O-N 2.91Å; V255-Q266 HydrophobicContact CG2-CB 4.03Å; V255-Q266 HydrophobicContact CG2-CG 4.26Å; V255-Y357 HydrophobicContact CB-CD2 4.32Å; V255-Y357 HydrophobicContact CG1-CD2 4.14Å; V255-Y357 HydrophobicContact CG2-CD2 3.93Å; V255-Y357 HydrophobicContact CG2-CE2 3.84Å
256	I	98.5	Very high	97.5	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116.6	156.9	-58.6	166	0	0	0	106.5	E228 Y258 F261 E262 Y263 H355 I356	E228-I256 HydrophobicContact CB-CD1 3.94Å; E228-I256 HydrophobicContact CG-CD1 3.85Å; I256-Y258 PolarHBondContact O-N 2.76Å; I256-F261 HydrophobicContact CG2-CB 4.23Å; I256-F261 HydrophobicContact CG2-CD1 3.94Å; I256-F261 HydrophobicContact CG2-CG 4.16Å; I256-E262 CarbonylContact C-O 3.45Å; I256-E262 WeakPolarHBondContact CA-O 3.5Å; I256-Y263 HydrophobicContact CG1-CD2 3.98Å; I256-H355 PolarHBondContact N-O 2.9Å; I256-I356 HydrophobicContact CB-CG1 3.83Å; I256-I356 HydrophobicContact CD1-CG1 4.19Å; I256-I356 HydrophobicContact CG2-CG1 3.79Å
257	D	97.9	Very high	97.1	Very high	32 Å²	32	27.8 Å²	27.8	17%	0.171	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-61.6	130.4	-176.3	-173.6	-92.5	0	0	0	111.3	E259 T260 F261 E262	D257-E259 PolarHBondContact O-N 2.84Å; D257-E259 WeakPolarHBondContact OD1-CA 3.37Å; D257-E259 WeakPolarHBondContact OD1-CB 3.37Å; D257-E259 PolarHBondContact OD1-N 2.97Å; D257-T260 PolarHBondContact OD1-N 3.05Å; D257-T260 PolarHBondContact OD1-OG1 3.16Å; D257-F261 WeakPolarHBondContact O-CA 3.42Å; D257-F261 PolarHBondContact O-N 3.02Å; D257-E262 HydrophobicContact CB-CB 4.23Å; D257-E262 PolarHBondContact N-O 3.07Å
258	Y	96.8	Very high	96.8	Very high	52 Å²	52	34.8 Å²	34.8	20%	0.204	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.9	-175.5	63.2	-103.9	0	0	0	113.4	Y93 F98 S99 I256 Y357 K359	Y93-Y258 HydrophobicContact CE2-CD2 4.25Å; Y93-Y258 WeakPolarHBondContact OH-CD2 3.23Å; Y93-Y258 WeakPolarHBondContact OH-CE2 3.5Å; F98-Y258 CarbonylContact C-O 3.57Å; F98-Y258 WeakPolarHBondContact CA-O 3.46Å; F98-Y258 WeakPolarHBondContact CB-O 3.32Å; S99-Y258 WeakPolarHBondContact CB-O 3.1Å; S99-Y258 PolarHBondContact N-O 2.67Å; I256-Y258 PolarHBondContact O-N 2.76Å; Y258-Y357 WeakPolarHBondContact CB-O 3.19Å; Y258-Y357 VanDerWaalsContact CD1-O 3.3Å; Y258-Y357 WeakPolarHBondContact CD1-O 3.45Å; Y258-K359 HydrophobicContact CD1-CB 4.37Å; Y258-K359 HydrophobicContact CD2-CB 4Å; Y258-K359 HydrophobicContact CE1-CB 4.38Å; Y258-K359 HydrophobicContact CE1-CD 3.94Å; Y258-K359 HydrophobicContact CE2-CB 4.06Å; Y258-K359 HydrophobicContact CE2-CD 4.14Å; Y258-K359 HydrophobicContact CE2-CG 4.31Å; Y258-K359 HydrophobicContact CG-CB 4.2Å; Y258-K359 PolarHBondContact OH-NZ 2.85Å
259	E	96.3	Very high	96.4	Very high	82 Å²	82	35.5 Å²	35.5	38%	0.383	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-47.4	-177.4	-174	161.5	-159.7	0	0	111.8	S99 V102 D257	S99-E259 VanDerWaalsContact CB-O 3.28Å; S99-E259 WeakPolarHBondContact CB-O 3.46Å; V102-E259 WeakPolarHBondContact CG2-O 3.38Å; D257-E259 PolarHBondContact O-N 2.84Å; D257-E259 WeakPolarHBondContact OD1-CA 3.37Å; D257-E259 WeakPolarHBondContact OD1-CB 3.37Å; D257-E259 PolarHBondContact OD1-N 2.97Å
260	T	97.4	Very high	96.2	Very high	18 Å²	18	36.1 Å²	36.1	11%	0.11	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-10.3	-173.7	67.7	0	0	0	0	114.2	P76 Y77 D257 E262	P76-T260 HydrophobicContact CB-CG2 4.3Å; Y77-T260 PolarHBondContact N-O 2.67Å; D257-T260 PolarHBondContact OD1-N 3.05Å; D257-T260 PolarHBondContact OD1-OG1 3.16Å; T260-E262 PolarHBondContact O-N 3.41Å; T260-E262 PolarHBondContact OG1-N 3.28Å
261	F	98.2	Very high	96.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.			trans	59.9	20.4	-174.1	-82.2	-118	0	0	0	114.3	F98 S99 V102 L106 R110 V145 I256 D257 Y263 I356	F98-F261 HydrophobicContact CD2-CE2 4.17Å; F98-F261 AromaticContact CD2-CZ 3.94Å; F98-F261 HydrophobicContact CD2-CZ 3.94Å; F98-F261 HydrophobicContact CE2-CZ 4.22Å; S99-F261 WeakPolarHBondContact O-CE2 3.4Å; V102-F261 HydrophobicContact CB-CD2 4.21Å; V102-F261 HydrophobicContact CG1-CB 4.02Å; V102-F261 HydrophobicContact CG1-CD2 3.63Å; V102-F261 HydrophobicContact CG1-CE2 4.38Å; V102-F261 HydrophobicContact CG1-CG 4Å; L106-F261 HydrophobicContact CD1-CB 3.51Å; L106-F261 HydrophobicContact CD1-CD1 3.75Å; L106-F261 HydrophobicContact CD1-CG 3.79Å; R110-F261 PolarHBondContact NH1-O 2.89Å; R110-F261 PolarHBondContact NH2-O 3.27Å; V145-F261 HydrophobicContact CG2-CE1 4.13Å; V145-F261 HydrophobicContact CG2-CZ 4.1Å; I256-F261 HydrophobicContact CG2-CB 4.23Å; I256-F261 HydrophobicContact CG2-CD1 3.94Å; I256-F261 HydrophobicContact CG2-CG 4.16Å; D257-F261 WeakPolarHBondContact O-CA 3.42Å; D257-F261 PolarHBondContact O-N 3.02Å; F261-Y263 PolarHBondContact O-N 3.17Å; F261-I356 HydrophobicContact CD1-CD1 4.36Å; F261-I356 HydrophobicContact CE1-CD1 3.49Å; F261-I356 VanDerWaalsContact CE1-CD1 3.49Å; F261-I356 HydrophobicContact CE1-CG1 4.48Å; F261-I356 HydrophobicContact CZ-CD1 3.66Å
262	E	98.3	Very high	96.1	Very high	58 Å²	58	36 Å²	36	27%	0.271	18%	0.175	S	C	.	.			trans	-57.2	129.7	168.4	-174.2	-171.6	-173.2	0	0	109.7	G74 P76 K113 I256 D257 T260	G74-E262 WeakPolarHBondContact O-CA 3.26Å; P76-E262 HydrophobicContact CB-CB 4.05Å; K113-E262 IonicContact NZ-OE1 3.95Å; I256-E262 CarbonylContact C-O 3.45Å; I256-E262 WeakPolarHBondContact CA-O 3.5Å; D257-E262 HydrophobicContact CB-CB 4.23Å; D257-E262 PolarHBondContact N-O 3.07Å; T260-E262 PolarHBondContact O-N 3.41Å; T260-E262 PolarHBondContact OG1-N 3.28Å
263	Y	98.5	Very high	96.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	127	170.5	-169.8	-74.6	0	0	0	109	G74 V112 K113 V115 E228 N230 D254 V255 I256 F261 G354	G74-Y263 PolarHBondContact O-N 3.42Å; V112-Y263 HydrophobicContact CB-CD2 4.24Å; V112-Y263 HydrophobicContact CB-CG 4.34Å; V112-Y263 HydrophobicContact CG1-CD2 3.85Å; V112-Y263 HydrophobicContact CG1-CE2 4.32Å; V112-Y263 HydrophobicContact CG1-CG 4.28Å; K113-Y263 WeakPolarHBondContact CE-O 3.25Å; K113-Y263 PolarHBondContact NZ-O 2.86Å; V115-Y263 HydrophobicContact CG1-CD1 4.11Å; V115-Y263 HydrophobicContact CG1-CE1 3.93Å; V115-Y263 HydrophobicContact CG2-CE1 3.89Å; E228-Y263 HydrophobicContact CB-CE2 4.5Å; N230-Y263 WeakPolarHBondContact ND2-CE1 3.42Å; N230-Y263 PolarHBondContact ND2-OH 2.83Å; D254-Y263 HydrophobicContact CB-CE1 3.86Å; D254-Y263 PolarHBondContact OD2-OH 2.86Å; V255-Y263 CarbonylContact O-C 3.51Å; V255-Y263 WeakPolarHBondContact O-CA 3.14Å; I256-Y263 HydrophobicContact CG1-CD2 3.98Å; F261-Y263 PolarHBondContact O-N 3.17Å; Y263-G354 VanDerWaalsContact CE2-CA 3.47Å; Y263-G354 PolarHBondContact OH-N 3.05Å
264	R	96.8	Very high	96.1	Very high	97 Å²	97	34 Å²	34	37%	0.366	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	154.9	176.5	61.3	-179.2	179.8	77	-1	111.7	V255	V255-R264 HydrophobicContact CB-CG 4.09Å; V255-R264 PolarHBondContact N-O 2.72Å; V255-R264 PolarHBondContact O-N 2.91Å
265	I	95.2	Very high	95.9	Very high	52 Å²	52	34.9 Å²	34.9	27%	0.267	17%	0.169	S	C	.	.			trans	-61.8	145	174.3	63.1	176.1	0	0	0	111.1	V115 D254 H268	V115-I265 HydrophobicContact CB-CG2 3.43Å; V115-I265 VanDerWaalsContact CB-CG2 3.43Å; V115-I265 HydrophobicContact CG1-CG2 4Å; V115-I265 HydrophobicContact CG2-CG2 3.66Å; D254-I265 WeakPolarHBondContact OD1-CA 3.25Å; I265-H268 VanDerWaalsContact CD1-CE1 3.46Å; I265-H268 WeakPolarHBondContact CD1-CE1 3.34Å
266	Q	91.4	Very high	95.7	Very high	78 Å²	78	34.4 Å²	34.4	36%	0.364	17%	0.165	S	C	.	.	S	Bend	trans	-74.5	-45.8	167	-170.8	173.5	-7.7	0	0	110.4	V253 V255 Y357	V253-Q266 PolarHBondContact O-OE1 3.27Å; V255-Q266 HydrophobicContact CG2-CB 4.03Å; V255-Q266 HydrophobicContact CG2-CG 4.26Å; Q266-Y357 PolarHBondContact OE1-OH 2.77Å
267	D	90.3	Very high	95.5	Very high	45 Å²	45	36.9 Å²	36.9	24%	0.241	18%	0.177	C	C	.	.			trans	-173	-170.4	178.6	51.4	75.7	0	0	0	110.4	G269 R282	D267-G269 VanDerWaalsContact OD1-CA 3.3Å; D267-G269 WeakPolarHBondContact OD1-CA 3.34Å; D267-G269 PolarHBondContact OD1-N 3.32Å; D267-R282 IonicContact OD1-CZ 3.16Å; D267-R282 IonicContact OD1-NH1 2.83Å; D267-R282 IonicContact OD1-NH2 3.16Å; D267-R282 PolarHBondContact OD1-NH2 3.23Å; D267-R282 IonicContact OD2-CZ 3.02Å; D267-R282 IonicContact OD2-NH1 3.81Å; D267-R282 PolarHBondContact OD2-NH1 3.33Å; D267-R282 IonicContact OD2-NH2 2.67Å; D267-R282 PolarHBondContact OD2-NH2 3.4Å
268	H	90.9	Very high	95.3	Very high	149 Å²	149	35.3 Å²	35.3	69%	0.69	17%	0.169	S	C	*	.	S	Bend	trans	-96.9	25.7	179.4	-60.7	-64.4	0	0	0	113.8	I265	I265-H268 VanDerWaalsContact CD1-CE1 3.46Å; I265-H268 WeakPolarHBondContact CD1-CE1 3.34Å
269	G	91.7	Very high	95.1	Very high	14 Å²	14	38 Å²	38	14%	0.144	18%	0.179	C	C	.	.			trans	104.8	145	178.2	0	0	0	0	0	113.5	D267	D267-G269 VanDerWaalsContact OD1-CA 3.3Å; D267-G269 WeakPolarHBondContact OD1-CA 3.34Å; D267-G269 PolarHBondContact OD1-N 3.32Å
270	A	94.6	Very high	95	Very high	13 Å²	13	37.7 Å²	37.7	11%	0.107	18%	0.175	C	C	.	.			trans	-155.3	157.2	169.7	0	0	0	0	0	109.4	R282 L283	A270-R282 HydrophobicContact CB-CB 3.95Å; A270-R282 VanDerWaalsContact CB-CZ 3.5Å; A270-L283 WeakPolarHBondContact CB-O 3.31Å
271	R	97.3	Very high	94.8	Very high	7 Å²	7	39.8 Å²	39.8	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	127.4	178.5	-74.6	159.6	36.9	104.9	0.4	110	R282 L283 L285 F297 R298 D431	R271-R282 CarbonylContact O-C 3.49Å; R271-R282 WeakPolarHBondContact O-CA 3.31Å; R271-L283 HydrophobicContact CB-CB 4.16Å; R271-L283 PolarHBondContact N-O 3.11Å; R271-L283 PolarHBondContact O-N 2.92Å; R271-L285 HydrophobicContact CG-CD2 4.3Å; R271-F297 HydrophobicContact CG-CD2 3.94Å; R271-F297 HydrophobicContact CG-CE2 3.91Å; R271-R298 PolarHBondContact NH1-O 3.28Å; R271-D431 IonicContact CZ-OD1 2.68Å; R271-D431 IonicContact CZ-OD2 3.91Å; R271-D431 IonicContact NE-OD2 3.7Å; R271-D431 IonicContact NH2-OD1 3.5Å; R271-D431 PolarHBondContact NH2-OD1 3.44Å; R271-D431 IonicContact NH2-OD2 3.18Å; R271-D431 PolarHBondContact NH2-OD2 3.34Å
272	G	97.6	Very high	94.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	147.7	179.2	0	0	0	0	0	112.8	S299 P300 V301	G272-S299 PolarHBondContact N-OG 2.74Å; G272-P300 WeakPolarHBondContact O-CB 3.46Å; G272-P300 VanDerWaalsContact O-CD 3.25Å; G272-P300 WeakPolarHBondContact O-CD 3.47Å; G272-V301 CarbonylContact C-O 3.57Å; G272-V301 WeakPolarHBondContact CA-O 3.29Å; G272-V301 PolarHBondContact O-N 3.12Å
273	S	97.7	Very high	94.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	-174.1	-172	-177.3	0	0	0	0	110.1	K281 Q432	S273-K281 CarbonylContact C-O 3.59Å; S273-K281 PolarHBondContact N-O 2.86Å; S273-K281 PolarHBondContact O-N 3.17Å; S273-K281 VanDerWaalsContact O-O 3.1Å; S273-Q432 VanDerWaalsContact OG-CG 3.26Å; S273-Q432 WeakPolarHBondContact OG-CG 3.47Å
274	W	97	Very high	94.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	158.4	173.4	64.2	106.8	0	0	0	111.3	F278 Y279 P300 V301 Y332 F336 F421 Y424 M425 A429 Q432	W274-F278 AromaticContact CD1-CD2 3.66Å; W274-F278 AromaticContact CD1-CE2 3.82Å; W274-F278 HydrophobicContact CG-CD2 4.26Å; W274-F278 HydrophobicContact CG-CE2 4.43Å; W274-Y279 VanDerWaalsContact CA-O 3.28Å; W274-Y279 WeakPolarHBondContact CA-O 3.45Å; W274-P300 HydrophobicContact CZ3-CB 4.48Å; W274-V301 HydrophobicContact CE3-CG2 3.53Å; W274-V301 HydrophobicContact CZ3-CG2 3.66Å; W274-Y332 HydrophobicContact CB-CE1 3.77Å; W274-Y332 HydrophobicContact CG-CE1 4.48Å; W274-F336 HydrophobicContact CH2-CE1 4.41Å; W274-F336 HydrophobicContact CZ3-CE1 4.33Å; W274-F421 HydrophobicContact CH2-CZ 4.31Å; W274-F421 HydrophobicContact CZ2-CE1 4.3Å; W274-F421 AromaticContact CZ2-CZ 3.73Å; W274-F421 HydrophobicContact CZ2-CZ 3.73Å; W274-Y424 HydrophobicContact CH2-CD1 4.33Å; W274-Y424 AromaticContact CH2-CE1 3.39Å; W274-Y424 HydrophobicContact CH2-CE1 3.39Å; W274-Y424 HydrophobicContact CZ2-CE1 4.26Å; W274-Y424 AromaticContact CZ3-CE1 3.92Å; W274-Y424 HydrophobicContact CZ3-CE1 3.92Å; W274-M425 HydrophobicContact CH2-CE 4.42Å; W274-M425 HydrophobicContact CH2-SD 3.62Å; W274-M425 HydrophobicContact CZ2-CE 4.14Å; W274-M425 HydrophobicContact CZ2-SD 3.45Å; W274-M425 WeakPolarHBondContact CZ2-SD 3.27Å; W274-A429 HydrophobicContact CH2-CB 3.73Å; W274-A429 HydrophobicContact CZ3-CB 4.18Å; W274-Q432 HydrophobicContact CH2-CG 4.35Å; W274-Q432 HydrophobicContact CZ2-CG 4.41Å; W274-Q432 HydrophobicContact CZ3-CG 4.48Å; W274-Q432 PolarHBondContact O-NE2 2.75Å
275	D	93.8	Very high	94	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.112	20%	0.198	C	C	.	.			trans	-91	169.3	155.8	67.1	23.3	0	0	0	110.6	E277 F278 Y279 K281 Y436	D275-E277 PolarHBondContact O-N 2.99Å; D275-E277 VanDerWaalsContact O-N 3.09Å; D275-E277 WeakPolarHBondContact OD1-CA 3.37Å; D275-E277 WeakPolarHBondContact OD1-CB 3.48Å; D275-E277 PolarHBondContact OD1-N 3.36Å; D275-F278 WeakPolarHBondContact O-CA 3.34Å; D275-F278 PolarHBondContact O-N 2.71Å; D275-F278 PolarHBondContact OD1-N 2.93Å; D275-Y279 PolarHBondContact N-O 2.91Å; D275-Y279 VanDerWaalsContact N-O 3.08Å; D275-Y279 PolarHBondContact OD1-N 3.02Å; D275-K281 HydrophobicContact CB-CG 4.17Å; D275-K281 VanDerWaalsContact CG-CE 3.44Å; D275-K281 WeakPolarHBondContact OD2-CE 3.42Å; D275-K281 IonicContact OD2-NZ 2.77Å; D275-K281 PolarHBondContact OD2-NZ 3.15Å; D275-K281 VanDerWaalsContact OD2-NZ 3.12Å; D275-Y436 HydrophobicContact CB-CD1 3.97Å; D275-Y436 HydrophobicContact CB-CG 4.25Å
276	W	94.5	Very high	94.1	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.011	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	11.3	-178.9	-65	99	0	0	0	113.8	M384 Y387 Y390 L391 R394 F421 M425 Y436 A438	W276-M384 HydrophobicContact CE3-CE 4.25Å; W276-M384 HydrophobicContact CH2-CE 4.45Å; W276-M384 HydrophobicContact CZ3-CE 3.57Å; W276-Y387 AromaticContact CH2-CD1 3.47Å; W276-Y387 HydrophobicContact CH2-CD1 3.47Å; W276-Y387 VanDerWaalsContact CH2-CD1 3.47Å; W276-Y387 HydrophobicContact CH2-CE1 4.39Å; W276-Y387 HydrophobicContact CH2-CG 4.16Å; W276-Y387 HydrophobicContact CZ2-CD1 4.17Å; W276-Y387 HydrophobicContact CZ3-CD1 4.24Å; W276-Y390 VanDerWaalsContact CE3-CB 3.43Å; W276-Y390 HydrophobicContact CE3-CD2 4.29Å; W276-Y390 HydrophobicContact CE3-CG 4.29Å; W276-Y390 HydrophobicContact CH2-CD2 4.13Å; W276-Y390 AromaticContact CZ3-CD2 3.98Å; W276-Y390 HydrophobicContact CZ3-CD2 3.98Å; W276-Y390 HydrophobicContact CZ3-CG 4.44Å; W276-L391 WeakPolarHBondContact O-CA 3.27Å; W276-L391 WeakPolarHBondContact O-CD1 3.18Å; W276-R394 VanDerWaalsContact C-CD 3.5Å; W276-R394 WeakPolarHBondContact O-CD 3.3Å; W276-F421 HydrophobicContact CH2-CE1 4.39Å; W276-M425 HydrophobicContact CH2-CE 4.4Å; W276-M425 HydrophobicContact CZ2-CE 4.07Å; W276-Y436 VanDerWaalsContact CD1-O 3.24Å; W276-Y436 PolarHBondContact NE1-O 2.92Å; W276-A438 VanDerWaalsContact CD1-CA 3.45Å; W276-A438 HydrophobicContact CD2-CB 4.38Å; W276-A438 HydrophobicContact CZ2-CB 3.98Å
277	E	92.9	Very high	94.3	Very high	53 Å²	53	42.1 Å²	42.1	25%	0.248	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	4.6	160.8	-61.4	-174.4	116.3	0	0	111.5	D275 Y279 R394 R395	D275-E277 PolarHBondContact O-N 2.99Å; D275-E277 VanDerWaalsContact O-N 3.09Å; D275-E277 WeakPolarHBondContact OD1-CA 3.37Å; D275-E277 WeakPolarHBondContact OD1-CB 3.48Å; D275-E277 PolarHBondContact OD1-N 3.36Å; E277-Y279 VanDerWaalsContact C-N 3.26Å; E277-Y279 HydrophobicContact CB-CD2 3.62Å; E277-Y279 HydrophobicContact CB-CE2 3.63Å; E277-Y279 HydrophobicContact CG-CE2 4.41Å; E277-Y279 PolarHBondContact O-N 2.79Å; E277-Y279 WeakPolarHBondContact OE2-CE2 3.16Å; E277-R394 HydrophobicContact CG-CB 3.92Å; E277-R394 HydrophobicContact CG-CG 4.44Å; E277-R395 VanDerWaalsContact CD-NH2 3.34Å; E277-R395 IonicContact OE1-CZ 3.63Å; E277-R395 IonicContact OE1-NH1 2.87Å; E277-R395 PolarHBondContact OE1-NH1 3.05Å; E277-R395 IonicContact OE1-NH2 3.89Å; E277-R395 PolarHBondContact OE1-NH2 3.48Å; E277-R395 IonicContact OE2-NH2 2.63Å
278	F	94	Very high	94.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.222	C	C	.	.			trans	62.2	27.5	-174.2	-92.1	-176.1	0	0	0	114.3	W274 D275 Y332 F336 Y376 A380 M384 L391	W274-F278 AromaticContact CD1-CD2 3.66Å; W274-F278 AromaticContact CD1-CE2 3.82Å; W274-F278 HydrophobicContact CG-CD2 4.26Å; W274-F278 HydrophobicContact CG-CE2 4.43Å; D275-F278 WeakPolarHBondContact O-CA 3.34Å; D275-F278 PolarHBondContact O-N 2.71Å; D275-F278 PolarHBondContact OD1-N 2.93Å; F278-Y332 HydrophobicContact CB-CE2 4.17Å; F278-Y332 HydrophobicContact CD1-CD2 4.46Å; F278-Y332 HydrophobicContact CG-CD2 4.46Å; F278-Y332 HydrophobicContact CG-CE2 4.24Å; F278-Y332 WeakPolarHBondContact O-CE2 3.36Å; F278-Y332 PolarHBondContact O-OH 2.86Å; F278-F336 HydrophobicContact CE2-CZ 4.46Å; F278-F336 HydrophobicContact CZ-CE2 4.18Å; F278-Y376 HydrophobicContact CB-CD2 3.59Å; F278-Y376 HydrophobicContact CB-CE2 3.55Å; F278-Y376 HydrophobicContact CB-CG 4.11Å; F278-Y376 HydrophobicContact CD1-CD1 4.04Å; F278-Y376 AromaticContact CD1-CD2 3.95Å; F278-Y376 HydrophobicContact CD1-CD2 3.95Å; F278-Y376 AromaticContact CD1-CG 3.64Å; F278-Y376 HydrophobicContact CD1-CG 3.64Å; F278-Y376 HydrophobicContact CG-CD2 4.33Å; F278-Y376 HydrophobicContact CG-CG 4.42Å; F278-Y376 PolarHBondContact O-OH 2.97Å; F278-A380 HydrophobicContact CE1-CB 4.37Å; F278-M384 HydrophobicContact CE1-SD 3.91Å; F278-M384 HydrophobicContact CE2-CE 3.62Å; F278-M384 HydrophobicContact CE2-SD 3.58Å; F278-M384 VanDerWaalsContact CE2-SD 3.58Å; F278-M384 HydrophobicContact CZ-CE 3.81Å; F278-M384 HydrophobicContact CZ-CG 4.27Å; F278-M384 HydrophobicContact CZ-SD 3.08Å; F278-M384 WeakPolarHBondContact CZ-SD 3.48Å; F278-L391 HydrophobicContact CB-CD1 4.09Å; F278-L391 HydrophobicContact CD1-CD1 4.28Å; F278-L391 HydrophobicContact CD1-CD2 3.63Å; F278-L391 HydrophobicContact CE1-CD2 3.82Å; F278-L391 HydrophobicContact CG-CD1 4.07Å; F278-L391 HydrophobicContact CG-CD2 4.19Å
279	Y	92.2	Very high	94.8	Very high	107 Å²	107	39.3 Å²	39.3	42%	0.42	20%	0.198	S	C	.	.			trans	-79.2	136	162.5	-63.2	-63.1	0	0	0	110.4	W274 D275 E277 K281 R395	W274-Y279 VanDerWaalsContact CA-O 3.28Å; W274-Y279 WeakPolarHBondContact CA-O 3.45Å; D275-Y279 PolarHBondContact N-O 2.91Å; D275-Y279 VanDerWaalsContact N-O 3.08Å; D275-Y279 PolarHBondContact OD1-N 3.02Å; E277-Y279 VanDerWaalsContact C-N 3.26Å; E277-Y279 HydrophobicContact CB-CD2 3.62Å; E277-Y279 HydrophobicContact CB-CE2 3.63Å; E277-Y279 HydrophobicContact CG-CE2 4.41Å; E277-Y279 PolarHBondContact O-N 2.79Å; E277-Y279 WeakPolarHBondContact OE2-CE2 3.16Å; Y279-K281 PolarHBondContact O-N 2.86Å; Y279-R395 PolarHBondContact OH-NH2 3.39Å
280	Y	94.7	Very high	94.9	Very high	76 Å²	76	44 Å²	44	30%	0.298	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	135.1	175.5	175.8	-100.3	0	0	0	109.4	R282 V301 Y332	Y280-R282 HydrophobicContact CD1-CG 4.48Å; Y280-R282 HydrophobicContact CE1-CG 3.6Å; Y280-V301 HydrophobicContact CD2-CG1 4.28Å; Y280-V301 HydrophobicContact CE2-CG1 4.32Å; Y280-Y332 VanDerWaalsContact CA-OH 3.3Å; Y280-Y332 WeakPolarHBondContact CA-OH 3.43Å; Y280-Y332 PolarHBondContact N-OH 2.99Å
281	K	92.9	Very high	95	Very high	62 Å²	62	50.1 Å²	50.1	27%	0.27	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	167.7	179.8	-62.3	-60.6	177	-170.5	0	109.5	S273 D275 Y279 Y436	S273-K281 CarbonylContact C-O 3.59Å; S273-K281 PolarHBondContact N-O 2.86Å; S273-K281 PolarHBondContact O-N 3.17Å; S273-K281 VanDerWaalsContact O-O 3.1Å; D275-K281 HydrophobicContact CB-CG 4.17Å; D275-K281 VanDerWaalsContact CG-CE 3.44Å; D275-K281 WeakPolarHBondContact OD2-CE 3.42Å; D275-K281 IonicContact OD2-NZ 2.77Å; D275-K281 PolarHBondContact OD2-NZ 3.15Å; D275-K281 VanDerWaalsContact OD2-NZ 3.12Å; Y279-K281 PolarHBondContact O-N 2.86Å; K281-Y436 HydrophobicContact CB-CD2 4.34Å; K281-Y436 HydrophobicContact CB-CE1 4.37Å; K281-Y436 HydrophobicContact CB-CE2 3.54Å; K281-Y436 HydrophobicContact CD-CE1 3.99Å; K281-Y436 HydrophobicContact CG-CD1 4.38Å; K281-Y436 HydrophobicContact CG-CD2 4.39Å; K281-Y436 HydrophobicContact CG-CE1 3.84Å; K281-Y436 HydrophobicContact CG-CE2 3.84Å
282	R	92.2	Very high	94.8	Very high	79 Å²	79	54.2 Å²	54.2	30%	0.298	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129.6	178.1	-63.3	176.6	72.5	-141.9	1.2	109.1	D267 A270 R271 Y280	D267-R282 IonicContact OD1-CZ 3.16Å; D267-R282 IonicContact OD1-NH1 2.83Å; D267-R282 IonicContact OD1-NH2 3.16Å; D267-R282 PolarHBondContact OD1-NH2 3.23Å; D267-R282 IonicContact OD2-CZ 3.02Å; D267-R282 IonicContact OD2-NH1 3.81Å; D267-R282 PolarHBondContact OD2-NH1 3.33Å; D267-R282 IonicContact OD2-NH2 2.67Å; D267-R282 PolarHBondContact OD2-NH2 3.4Å; A270-R282 HydrophobicContact CB-CB 3.95Å; A270-R282 VanDerWaalsContact CB-CZ 3.5Å; R271-R282 CarbonylContact O-C 3.49Å; R271-R282 WeakPolarHBondContact O-CA 3.31Å; Y280-R282 HydrophobicContact CD1-CG 4.48Å; Y280-R282 HydrophobicContact CE1-CG 3.6Å
283	L	94	Very high	94.7	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	148.7	174	-64.6	170.2	0	0	0	108.6	A270 R271 D431 Q432 K435 Y436	A270-L283 WeakPolarHBondContact CB-O 3.31Å; R271-L283 HydrophobicContact CB-CB 4.16Å; R271-L283 PolarHBondContact N-O 3.11Å; R271-L283 PolarHBondContact O-N 2.92Å; L283-D431 WeakPolarHBondContact CD1-OD1 3.44Å; L283-Q432 HydrophobicContact CD1-CB 4.34Å; L283-K435 HydrophobicContact CD2-CB 3.81Å; L283-K435 HydrophobicContact CD2-CG 3.71Å; L283-Y436 HydrophobicContact CD2-CD2 4.36Å; L283-Y436 HydrophobicContact CD2-CE2 3.98Å
284	P	94.1	Very high	94.6	Very high	82 Å²	82	57 Å²	57	53%	0.532	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-60.7	155	173.6	28.3	-35.3	0	0	0	111.1
285	L	96	Very high	94.6	Very high	24 Å²	24	61.1 Å²	61.1	13%	0.126	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-59.7	150.4	169.2	-64.6	-179.1	0	0	0	111	R271 D289 L290 F297	R271-L285 HydrophobicContact CG-CD2 4.3Å; L285-D289 HydrophobicContact CB-CB 4.33Å; L285-L290 HydrophobicContact CB-CD2 3.99Å; L285-L290 HydrophobicContact CB-CG 3.99Å; L285-L290 HydrophobicContact CD1-CD2 4.03Å; L285-F297 HydrophobicContact CD2-CD1 4.01Å; L285-F297 HydrophobicContact CD2-CD2 3.67Å; L285-F297 HydrophobicContact CD2-CE1 3.72Å; L285-F297 HydrophobicContact CD2-CE2 3.39Å; L285-F297 HydrophobicContact CD2-CG 3.99Å; L285-F297 HydrophobicContact CD2-CZ 3.41Å; L285-F297 VanDerWaalsContact CD2-CZ 3.41Å
286	L	96	Very high	94.8	Very high	48 Å²	48	62.9 Å²	62.9	25%	0.251	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-73.2	155.3	174.2	-57.2	178.8	0	0	0	110	E288 D289 L290 F430	L286-E288 PolarHBondContact O-N 3.39Å; L286-D289 WeakPolarHBondContact CB-OD2 3.49Å; L286-D289 PolarHBondContact N-OD2 2.96Å; L286-D289 PolarHBondContact O-N 2.93Å; L286-L290 PolarHBondContact O-N 2.9Å; L286-L290 VanDerWaalsContact O-N 3.13Å; L286-F430 HydrophobicContact CD1-CE1 4.37Å; L286-F430 HydrophobicContact CD1-CZ 3.92Å; L286-F430 HydrophobicContact CD2-CE2 4.41Å; L286-F430 HydrophobicContact CD2-CZ 3.82Å
287	P	95.8	Very high	95	Very high	99 Å²	99	63 Å²	63	64%	0.643	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-28.2	-179.5	-28.8	36.2	0	0	0	115
288	E	94.8	Very high	95.3	Very high	100 Å²	100	66.5 Å²	66.5	47%	0.467	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-41.3	177.6	-167.4	60.3	-158.8	0	0	111.9	L286 L290 K291	L286-E288 PolarHBondContact O-N 3.39Å; E288-L290 VanDerWaalsContact C-N 3.27Å; E288-L290 PolarHBondContact O-N 2.87Å; E288-K291 WeakPolarHBondContact O-CB 3.46Å; E288-K291 PolarHBondContact O-N 3.31Å; E288-K291 IonicContact OE2-NZ 3.31Å; E288-K291 PolarHBondContact OE2-NZ 3.42Å
289	D	96.1	Very high	95.5	Very high	36 Å²	36	66.6 Å²	66.6	19%	0.193	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-65.2	-34.4	178.4	-53.9	-42.8	0	0	0	111	L285 L286 K291 Q292 F297	L285-D289 HydrophobicContact CB-CB 4.33Å; L286-D289 WeakPolarHBondContact CB-OD2 3.49Å; L286-D289 PolarHBondContact N-OD2 2.96Å; L286-D289 PolarHBondContact O-N 2.93Å; D289-K291 PolarHBondContact O-N 3.03Å; D289-Q292 CarbonylContact O-C 3.48Å; D289-Q292 VanDerWaalsContact O-C 3.3Å; D289-Q292 PolarHBondContact O-N 3.2Å; D289-Q292 VanDerWaalsContact O-N 3.08Å; D289-F297 HydrophobicContact CB-CB 3.94Å; D289-F297 HydrophobicContact CB-CG 4.48Å; D289-F297 VanDerWaalsContact CG-CB 3.48Å; D289-F297 WeakPolarHBondContact OD1-CB 3.39Å
290	L	94.9	Very high	95.8	Very high	112 Å²	112	61.5 Å²	61.5	59%	0.586	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-62.1	-25.9	174.2	-72.5	171.9	0	0	0	113.4	L285 L286 E288 Q292	L285-L290 HydrophobicContact CB-CD2 3.99Å; L285-L290 HydrophobicContact CB-CG 3.99Å; L285-L290 HydrophobicContact CD1-CD2 4.03Å; L286-L290 PolarHBondContact O-N 2.9Å; L286-L290 VanDerWaalsContact O-N 3.13Å; E288-L290 VanDerWaalsContact C-N 3.27Å; E288-L290 PolarHBondContact O-N 2.87Å; L290-Q292 VanDerWaalsContact C-N 3.34Å
291	K	95.6	Very high	96	Very high	142 Å²	142	57.9 Å²	57.9	62%	0.617	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-79.2	-20.8	176.6	-61.7	172.2	-167	163	0	112.4	E288 D289 P293	E288-K291 WeakPolarHBondContact O-CB 3.46Å; E288-K291 PolarHBondContact O-N 3.31Å; E288-K291 IonicContact OE2-NZ 3.31Å; E288-K291 PolarHBondContact OE2-NZ 3.42Å; D289-K291 PolarHBondContact O-N 3.03Å; K291-P293 VanDerWaalsContact C-CD 3.44Å; K291-P293 WeakPolarHBondContact O-CD 3.29Å
292	Q	94.8	Very high	96.2	Very high	92 Å²	92	55 Å²	55	43%	0.43	28%	0.275	S	S	.	.			trans	-126.4	63.8	-176.1	-58	-172.1	23	0	0	110.6	D289 L290 N294 K295	D289-Q292 CarbonylContact O-C 3.48Å; D289-Q292 VanDerWaalsContact O-C 3.3Å; D289-Q292 PolarHBondContact O-N 3.2Å; D289-Q292 VanDerWaalsContact O-N 3.08Å; L290-Q292 VanDerWaalsContact C-N 3.34Å; Q292-N294 PolarHBondContact O-N 3.32Å; Q292-K295 HydrophobicContact CB-CB 4.09Å; Q292-K295 HydrophobicContact CB-CG 4.04Å; Q292-K295 PolarHBondContact O-N 2.9Å
293	P	95.3	Very high	96.3	Very high	40 Å²	40	53.6 Å²	53.6	26%	0.26	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-4	-170.9	29.9	-38.3	0	0	0	114.5	H117 L119 K291 P349	H117-P293 VanDerWaalsContact CE1-CG 3.42Å; H117-P293 WeakPolarHBondContact CE1-CG 3.45Å; L119-P293 HydrophobicContact CD1-CG 4.09Å; K291-P293 VanDerWaalsContact C-CD 3.44Å; K291-P293 WeakPolarHBondContact O-CD 3.29Å; P293-P349 WeakPolarHBondContact O-CB 3.24Å; P293-P349 WeakPolarHBondContact O-CG 3.43Å
294	N	95.9	Very high	96.3	Very high	20 Å²	20	53.5 Å²	53.5	11%	0.107	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-4.1	176.2	58.4	-57.5	0	0	0	113.5	L119 Q123 Q292 C350	L119-N294 HydrophobicContact CB-CB 3.73Å; Q123-N294 PolarHBondContact NE2-ND2 3.38Å; Q292-N294 PolarHBondContact O-N 3.32Å; N294-C350 PolarHBondContact O-SG 2.84Å
295	K	97.1	Very high	96.3	Very high	86 Å²	86	50 Å²	50	37%	0.374	26%	0.259	S	S	.	.	S	Bend	trans	-102.1	144.3	-177.5	-64	-55.7	-172.7	-175.5	0	111	Q292 F297 P349	Q292-K295 HydrophobicContact CB-CB 4.09Å; Q292-K295 HydrophobicContact CB-CG 4.04Å; Q292-K295 PolarHBondContact O-N 2.9Å; K295-F297 PolarHBondContact O-N 2.84Å; K295-P349 VanDerWaalsContact O-CD 3.32Å; K295-P349 WeakPolarHBondContact O-CD 3.37Å; K295-P349 WeakPolarHBondContact O-CG 3.28Å
296	P	98	Very high	96.4	Very high	57 Å²	57	49.4 Å²	49.4	37%	0.37	26%	0.255	S	S	.	.			trans	-57.2	137.7	175.4	-24.7	33.9	0	0	0	112	P240 V346 D347 A348	P240-P296 HydrophobicContact CG-CG 4.09Å; P296-V346 HydrophobicContact CB-CB 4.15Å; P296-V346 HydrophobicContact CB-CG2 4.07Å; P296-D347 CarbonylContact C-O 3.59Å; P296-D347 WeakPolarHBondContact CA-O 3.46Å; P296-A348 HydrophobicContact CG-CB 4.45Å
297	F	98.1	Very high	96.5	Very high	7 Å²	7	47.1 Å²	47.1	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	152.7	178.5	63.2	-95.3	0	0	0	111.4	F252 R271 L285 D289 K295 V346 D347 P349	F252-F297 AromaticContact CE1-CE1 3.59Å; F252-F297 HydrophobicContact CE1-CE1 3.59Å; F252-F297 AromaticContact CE1-CZ 3.86Å; F252-F297 HydrophobicContact CE1-CZ 3.86Å; F252-F297 AromaticContact CZ-CE1 3.76Å; F252-F297 HydrophobicContact CZ-CE1 3.76Å; F252-F297 HydrophobicContact CZ-CZ 4.23Å; R271-F297 HydrophobicContact CG-CD2 3.94Å; R271-F297 HydrophobicContact CG-CE2 3.91Å; L285-F297 HydrophobicContact CD2-CD1 4.01Å; L285-F297 HydrophobicContact CD2-CD2 3.67Å; L285-F297 HydrophobicContact CD2-CE1 3.72Å; L285-F297 HydrophobicContact CD2-CE2 3.39Å; L285-F297 HydrophobicContact CD2-CG 3.99Å; L285-F297 HydrophobicContact CD2-CZ 3.41Å; L285-F297 VanDerWaalsContact CD2-CZ 3.41Å; D289-F297 HydrophobicContact CB-CB 3.94Å; D289-F297 HydrophobicContact CB-CG 4.48Å; D289-F297 VanDerWaalsContact CG-CB 3.48Å; D289-F297 WeakPolarHBondContact OD1-CB 3.39Å; K295-F297 PolarHBondContact O-N 2.84Å; F297-V346 CarbonylContact O-C 3.58Å; F297-V346 WeakPolarHBondContact O-CA 3.43Å; F297-V346 WeakPolarHBondContact O-CB 3.32Å; F297-D347 HydrophobicContact CD1-CB 4.48Å; F297-D347 HydrophobicContact CD2-CB 4.35Å; F297-D347 HydrophobicContact CE1-CB 3.87Å; F297-D347 HydrophobicContact CE2-CB 3.69Å; F297-D347 HydrophobicContact CZ-CB 3.41Å; F297-D347 VanDerWaalsContact CZ-CB 3.41Å; F297-D347 PolarHBondContact N-O 2.96Å; F297-D347 PolarHBondContact O-N 3.33Å; F297-P349 HydrophobicContact CD1-CG 3.95Å; F297-P349 HydrophobicContact CE1-CG 3.93Å
298	R	98.2	Very high	96.7	Very high	126 Å²	126	42.4 Å²	42.4	48%	0.475	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	129.8	-175.5	-65.2	174.4	68.7	157.1	3.6	111.3	R271 W339 V346	R271-R298 PolarHBondContact NH1-O 3.28Å; R298-W339 HydrophobicContact CB-CH2 4.21Å; R298-W339 HydrophobicContact CB-CZ2 4.19Å; R298-W339 HydrophobicContact CG-CH2 4.06Å; R298-W339 VanDerWaalsContact NH2-CH2 3.32Å; R298-V346 HydrophobicContact CG-CG1 4.22Å
299	S	98.4	Very high	96.9	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.007	19%	0.191	C	C	.	.			trans	-119.5	128.3	-179.5	-165.4	0	0	0	0	109.9	G272 V301 W339 L345 D347	G272-S299 PolarHBondContact N-OG 2.74Å; S299-V301 PolarHBondContact OG-O 2.8Å; S299-W339 PolarHBondContact O-NE1 2.74Å; S299-L345 PolarHBondContact N-O 2.9Å; S299-L345 WeakPolarHBondContact O-CD2 3.4Å; S299-D347 WeakPolarHBondContact CB-OD2 3.36Å; S299-D347 PolarHBondContact OG-OD2 3.19Å; S299-D347 VanDerWaalsContact OG-OD2 3.11Å
300	P	98.6	Very high	97	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-61.9	-44.8	177.9	-24.2	32.4	0	0	0	112.8	G272 W274 W339 Y424 I428 A429	G272-P300 WeakPolarHBondContact O-CB 3.46Å; G272-P300 VanDerWaalsContact O-CD 3.25Å; G272-P300 WeakPolarHBondContact O-CD 3.47Å; W274-P300 HydrophobicContact CZ3-CB 4.48Å; P300-W339 PolarHBondContact O-NE1 3.4Å; P300-Y424 PolarHBondContact O-OH 2.87Å; P300-I428 HydrophobicContact CB-CG2 4.29Å; P300-A429 HydrophobicContact CB-CB 4.23Å
301	V	98.6	Very high	97.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-133.7	138.4	-176	173.4	0	0	0	0	110.6	G272 W274 Y280 S299 Y332 S335 F336 Y424	G272-V301 CarbonylContact C-O 3.57Å; G272-V301 WeakPolarHBondContact CA-O 3.29Å; G272-V301 PolarHBondContact O-N 3.12Å; W274-V301 HydrophobicContact CE3-CG2 3.53Å; W274-V301 HydrophobicContact CZ3-CG2 3.66Å; Y280-V301 HydrophobicContact CD2-CG1 4.28Å; Y280-V301 HydrophobicContact CE2-CG1 4.32Å; S299-V301 PolarHBondContact OG-O 2.8Å; V301-Y332 HydrophobicContact CG1-CD1 3.69Å; V301-Y332 HydrophobicContact CG1-CE1 3.82Å; V301-Y332 HydrophobicContact CG2-CD1 4.25Å; V301-S335 WeakPolarHBondContact CA-OG 3.46Å; V301-F336 HydrophobicContact CG2-CE1 4.15Å; V301-Y424 WeakPolarHBondContact CG2-OH 3.38Å
302	M	97.9	Very high	97.3	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.159	C	C	.	.			trans	-82	156.3	171.6	66.4	-179.2	67.6	0	0	111.4	V248 C250 G304 F307 Q331 L334 S335 L345	V248-M302 HydrophobicContact CG1-CE 3.73Å; C250-M302 VanDerWaalsContact SG-CB 3.56Å; M302-G304 VanDerWaalsContact C-N 3.28Å; M302-G304 PolarHBondContact O-N 3.49Å; M302-F307 HydrophobicContact CE-CG 4.48Å; M302-F307 HydrophobicContact SD-CB 4.45Å; M302-F307 HydrophobicContact SD-CD1 3.89Å; M302-F307 HydrophobicContact SD-CE1 4.31Å; M302-F307 HydrophobicContact SD-CG 4.1Å; M302-Q331 HydrophobicContact CG-CB 4.14Å; M302-L334 HydrophobicContact CE-CB 4.49Å; M302-L334 HydrophobicContact CE-CD2 3.88Å; M302-L334 HydrophobicContact CE-CG 4Å; M302-L334 HydrophobicContact SD-CD2 4.12Å; M302-S335 PolarHBondContact N-OG 3.35Å; M302-L345 HydrophobicContact CB-CD1 4.3Å; M302-L345 HydrophobicContact CB-CD2 4.02Å; M302-L345 HydrophobicContact CE-CD1 3.64Å; M302-L345 HydrophobicContact CE-CD2 4.28Å
303	A	94.1	Very high	97.5	Very high	51 Å²	51	27 Å²	27	42%	0.421	14%	0.14	S	C	.	.			trans	-63.8	-35.3	171	0	0	0	0	0	112.3
304	G	93.3	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	116.2	-35.8	172.2	0	0	0	0	0	115	R208 M302 Y306 F307	R208-G304 PolarHBondContact NH1-O 3.4Å; M302-G304 VanDerWaalsContact C-N 3.28Å; M302-G304 PolarHBondContact O-N 3.49Å; G304-Y306 PolarHBondContact O-N 3.08Å; G304-F307 WeakPolarHBondContact O-CE1 3.42Å
305	G	94.4	Very high	97.8	Very high	8 Å²	8	29 Å²	29	8%	0.082	14%	0.141	C	C	.	.	S	Bend	trans	-71.3	-27.1	-176.5	0	0	0	0	0	115.6	F222	F222-G305 CarbonylContact C-O 3.49Å
306	Y	98.2	Very high	97.9	Very high	11 Å²	11	28.5 Å²	28.5	4%	0.043	14%	0.14	C	C	.	.	S	Bend	trans	-137	105.2	-161.4	-61.5	-89.7	0	0	0	110.1	F222 L223 S227 C250 P251 V253 G304 V353 H355	F222-Y306 WeakPolarHBondContact O-CA 3.3Å; L223-Y306 HydrophobicContact CB-CE1 4.44Å; L223-Y306 HydrophobicContact CD2-CD1 3.6Å; L223-Y306 HydrophobicContact CD2-CE1 4.14Å; S227-Y306 VanDerWaalsContact OG-CE1 3.25Å; S227-Y306 WeakPolarHBondContact OG-CE1 3.19Å; S227-Y306 PolarHBondContact OG-OH 3.18Å; C250-Y306 PolarHBondContact SG-O 2.54Å; P251-Y306 WeakPolarHBondContact CD-O 3.39Å; V253-Y306 HydrophobicContact CG1-CD2 4.08Å; V253-Y306 HydrophobicContact CG1-CE2 3.95Å; V253-Y306 HydrophobicContact CG2-CD2 3.59Å; V253-Y306 HydrophobicContact CG2-CE2 4.3Å; V253-Y306 HydrophobicContact CG2-CG 3.77Å; G304-Y306 PolarHBondContact O-N 3.08Å; Y306-V353 HydrophobicContact CD1-CB 4.22Å; Y306-V353 HydrophobicContact CD1-CG1 3.95Å; Y306-V353 HydrophobicContact CE1-CB 4.37Å; Y306-V353 HydrophobicContact CE1-CG1 3.69Å; Y306-H355 HydrophobicContact CE2-CB 4.14Å; Y306-H355 AromaticContact CZ-CD2 3.88Å; Y306-H355 AromaticContact CZ-CG 3.99Å; Y306-H355 VanDerWaalsContact OH-CB 3.24Å; Y306-H355 WeakPolarHBondContact OH-CB 3.35Å; Y306-H355 PolarHBondContact OH-CD2 3.24Å; Y306-H355 VanDerWaalsContact OH-CG 3.25Å
307	F	98.8	Very high	97.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	155.4	174.8	65.7	-80.5	0	0	0	112.6	V221 F222 V248 V249 M302 G304 I309 Y320 L334	V221-F307 CarbonylContact C-O 3.53Å; V221-F307 WeakPolarHBondContact CA-O 3.32Å; F222-F307 HydrophobicContact CB-CD1 4.12Å; F222-F307 HydrophobicContact CB-CE1 3.75Å; F222-F307 HydrophobicContact CB-CZ 4.1Å; F222-F307 HydrophobicContact CD2-CD1 4.37Å; F222-F307 HydrophobicContact CD2-CD2 4.04Å; F222-F307 AromaticContact CD2-CE1 3.7Å; F222-F307 HydrophobicContact CD2-CE1 3.7Å; F222-F307 AromaticContact CD2-CE2 3.32Å; F222-F307 HydrophobicContact CD2-CE2 3.32Å; F222-F307 AromaticContact CD2-CZ 3.11Å; F222-F307 HydrophobicContact CD2-CZ 3.11Å; F222-F307 AromaticContact CE2-CE2 3.65Å; F222-F307 HydrophobicContact CE2-CE2 3.65Å; F222-F307 AromaticContact CE2-CZ 3.57Å; F222-F307 HydrophobicContact CE2-CZ 3.57Å; F222-F307 AromaticContact CG-CE1 3.87Å; F222-F307 HydrophobicContact CG-CE1 3.87Å; F222-F307 HydrophobicContact CG-CE2 4.31Å; F222-F307 AromaticContact CG-CZ 3.71Å; F222-F307 HydrophobicContact CG-CZ 3.71Å; F222-F307 HydrophobicContact CZ-CZ 4.47Å; F222-F307 PolarHBondContact N-O 2.82Å; F222-F307 PolarHBondContact O-N 3.16Å; V248-F307 HydrophobicContact CG1-CB 4.08Å; V248-F307 HydrophobicContact CG1-CD2 3.9Å; V248-F307 HydrophobicContact CG1-CG 4.35Å; V249-F307 CarbonylContact O-C 3.52Å; V249-F307 VanDerWaalsContact O-CA 3.25Å; V249-F307 WeakPolarHBondContact O-CA 3.36Å; M302-F307 HydrophobicContact CE-CG 4.48Å; M302-F307 HydrophobicContact SD-CB 4.45Å; M302-F307 HydrophobicContact SD-CD1 3.89Å; M302-F307 HydrophobicContact SD-CE1 4.31Å; M302-F307 HydrophobicContact SD-CG 4.1Å; G304-F307 WeakPolarHBondContact O-CE1 3.42Å; F307-I309 HydrophobicContact CD2-CB 4.3Å; F307-I309 HydrophobicContact CD2-CG2 4.08Å; F307-I309 HydrophobicContact CE2-CB 4.39Å; F307-I309 HydrophobicContact CE2-CG2 3.76Å; F307-Y320 WeakPolarHBondContact CE1-OH 3.24Å; F307-Y320 HydrophobicContact CZ-CE2 4.49Å; F307-Y320 WeakPolarHBondContact CZ-OH 2.91Å; F307-L334 HydrophobicContact CD2-CD2 4.35Å; F307-L334 HydrophobicContact CE1-CD2 4.45Å; F307-L334 HydrophobicContact CE2-CD2 3.66Å; F307-L334 HydrophobicContact CZ-CD2 3.72Å
308	A	98.9	Very high	97.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.4	169.3	0	0	0	0	0	110.1	V219 L220 V221 L237 I241 V248 V249	V219-A308 HydrophobicContact CG1-CB 4.22Å; L220-A308 CarbonylContact O-C 3.55Å; L220-A308 WeakPolarHBondContact O-CA 3.47Å; V221-A308 HydrophobicContact CG2-CB 3.94Å; L237-A308 HydrophobicContact CB-CB 4.1Å; I241-A308 HydrophobicContact CD1-CB 3.62Å; V248-A308 WeakPolarHBondContact CA-O 3.43Å; V249-A308 PolarHBondContact N-O 2.86Å; V249-A308 PolarHBondContact O-N 2.78Å
309	I	98.9	Very high	97.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	141.5	177.8	-174.1	169.1	0	0	0	110	V219 L220 F222 V248 F307 A311 W313 F314 L317	V219-I309 WeakPolarHBondContact CA-O 3.24Å; V219-I309 WeakPolarHBondContact CG1-O 3.31Å; L220-I309 HydrophobicContact CB-CG2 4.27Å; L220-I309 PolarHBondContact N-O 3.44Å; L220-I309 PolarHBondContact O-N 2.82Å; F222-I309 HydrophobicContact CE2-CG2 4.32Å; V248-I309 HydrophobicContact CG1-CB 4.48Å; V248-I309 HydrophobicContact CG2-CB 4.16Å; V248-I309 HydrophobicContact CG2-CD1 3.52Å; V248-I309 HydrophobicContact CG2-CG1 3.77Å; F307-I309 HydrophobicContact CD2-CB 4.3Å; F307-I309 HydrophobicContact CD2-CG2 4.08Å; F307-I309 HydrophobicContact CE2-CB 4.39Å; F307-I309 HydrophobicContact CE2-CG2 3.76Å; I309-A311 PolarHBondContact O-N 3.05Å; I309-W313 HydrophobicContact CD1-CG 4.45Å; I309-W313 HydrophobicContact CG1-CB 4.35Å; I309-F314 HydrophobicContact CD1-CB 3.96Å; I309-F314 HydrophobicContact CD1-CD2 4.12Å; I309-F314 HydrophobicContact CG1-CB 4.24Å; I309-F314 HydrophobicContact CG2-CB 3.99Å; I309-F314 HydrophobicContact CG2-CD2 3.98Å; I309-F314 HydrophobicContact CG2-CG 4.28Å; I309-L317 HydrophobicContact CD1-CD1 4.48Å
310	S	98.9	Very high	97.9	Very high	13 Å²	13	21.1 Å²	21.1	9%	0.091	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	131	169.1	174.8	0	0	0	0	110.5	E218 Y245 K312 W313 F314	E218-S310 WeakPolarHBondContact O-CA 3.26Å; Y245-S310 VanDerWaalsContact O-CB 3.24Å; Y245-S310 WeakPolarHBondContact O-CB 3.49Å; S310-K312 PolarHBondContact O-N 3.43Å; S310-K312 PolarHBondContact OG-N 3.03Å; S310-W313 PolarHBondContact O-N 3.18Å; S310-F314 PolarHBondContact O-N 3.27Å
311	A	98.8	Very high	97.9	Very high	13 Å²	13	21.4 Å²	21.4	11%	0.107	12%	0.117	C	C	.	.	H	α-helix	trans	-56.5	-40.7	176.6	0	0	0	0	0	111	S217 E218 L220 I309 W313 F314 W315	S217-A311 VanDerWaalsContact O-CB 3.26Å; S217-A311 WeakPolarHBondContact O-CB 3.27Å; E218-A311 PolarHBondContact O-N 3.49Å; L220-A311 HydrophobicContact CD1-CB 4.32Å; L220-A311 HydrophobicContact CD2-CB 4.13Å; L220-A311 HydrophobicContact CG-CB 3.9Å; I309-A311 PolarHBondContact O-N 3.05Å; A311-W313 PolarHBondContact O-N 2.7Å; A311-F314 PolarHBondContact O-N 3.06Å; A311-W315 PolarHBondContact O-N 2.9Å
312	K	98.6	Very high	97.8	Very high	124 Å²	124	25 Å²	25	54%	0.539	13%	0.134	S	C	.	.	H	α-helix	trans	-56.1	-48.5	173.3	178.6	-179.7	177.4	179.8	0	111.5	Y245 S310 Q316	Y245-K312 HydrophobicContact CD2-CD 4.2Å; Y245-K312 HydrophobicContact CD2-CG 4.43Å; Y245-K312 HydrophobicContact CE2-CD 4.02Å; Y245-K312 HydrophobicContact CE2-CG 4.18Å; S310-K312 PolarHBondContact O-N 3.43Å; S310-K312 PolarHBondContact OG-N 3.03Å; K312-Q316 WeakPolarHBondContact O-CB 3.47Å; K312-Q316 VanDerWaalsContact O-CG 3.28Å; K312-Q316 WeakPolarHBondContact O-CG 3.38Å; K312-Q316 PolarHBondContact O-N 2.88Å
313	W	98.7	Very high	97.8	Very high	8 Å²	8	25.7 Å²	25.7	3%	0.03	14%	0.142	C	C	.	.	H	α-helix	trans	-69.7	-41	-179.1	-174	-134.8	0	0	0	112.5	Y245 R246 I309 S310 A311 W315 Q316 L317	Y245-W313 HydrophobicContact CD2-CB 3.97Å; Y245-W313 HydrophobicContact CE2-CB 4.16Å; Y245-W313 HydrophobicContact CE2-CE3 4.28Å; Y245-W313 WeakPolarHBondContact O-CB 3.41Å; R246-W313 HydrophobicContact CB-CD2 4.08Å; R246-W313 HydrophobicContact CB-CG 4.33Å; R246-W313 HydrophobicContact CB-CZ2 4.24Å; R246-W313 HydrophobicContact CG-CD2 3.9Å; R246-W313 HydrophobicContact CG-CE3 3.96Å; R246-W313 HydrophobicContact CG-CG 4.38Å; R246-W313 HydrophobicContact CG-CH2 4.45Å; R246-W313 HydrophobicContact CG-CZ2 4.35Å; R246-W313 HydrophobicContact CG-CZ3 4.26Å; R246-W313 PolarHBondContact O-NE1 3.18Å; R246-W313 VanDerWaalsContact O-NE1 3.15Å; I309-W313 HydrophobicContact CD1-CG 4.45Å; I309-W313 HydrophobicContact CG1-CB 4.35Å; S310-W313 PolarHBondContact O-N 3.18Å; A311-W313 PolarHBondContact O-N 2.7Å; W313-W315 VanDerWaalsContact C-N 3.3Å; W313-W315 PolarHBondContact O-N 3.49Å; W313-Q316 HydrophobicContact CE3-CB 3.76Å; W313-Q316 VanDerWaalsContact CE3-OE1 3.3Å; W313-Q316 HydrophobicContact CZ3-CB 4.03Å; W313-Q316 PolarHBondContact O-N 3.42Å; W313-L317 HydrophobicContact CD2-CD1 4.23Å; W313-L317 HydrophobicContact CD2-CG 4.03Å; W313-L317 HydrophobicContact CE3-CG 4.37Å; W313-L317 HydrophobicContact CG-CD1 4.46Å; W313-L317 HydrophobicContact CH2-CD2 3.67Å; W313-L317 HydrophobicContact CH2-CG 4.22Å; W313-L317 HydrophobicContact CZ2-CD1 4.04Å; W313-L317 HydrophobicContact CZ2-CD2 3.55Å; W313-L317 HydrophobicContact CZ2-CG 3.89Å; W313-L317 HydrophobicContact CZ3-CD2 4.23Å; W313-L317 HydrophobicContact CZ3-CG 4.45Å; W313-L317 WeakPolarHBondContact O-CG 3.38Å; W313-L317 PolarHBondContact O-N 3.02Å
314	F	98.8	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-54.8	-46.6	175.9	-174.9	-105.1	0	0	0	111.6	L209 A212 L220 F222 I309 S310 A311 L317 G318 G319 Y320	L209-F314 HydrophobicContact CD2-CE1 3.92Å; L209-F314 HydrophobicContact CD2-CZ 3.8Å; A212-F314 HydrophobicContact CB-CD1 4.46Å; A212-F314 HydrophobicContact CB-CE1 3.85Å; L220-F314 HydrophobicContact CD1-CB 4.32Å; L220-F314 HydrophobicContact CD1-CD1 3.83Å; L220-F314 HydrophobicContact CD1-CE1 4.4Å; L220-F314 HydrophobicContact CD1-CG 4.14Å; F222-F314 HydrophobicContact CE2-CE2 4.39Å; F222-F314 HydrophobicContact CZ-CE2 4.39Å; F222-F314 HydrophobicContact CZ-CZ 4.2Å; I309-F314 HydrophobicContact CD1-CB 3.96Å; I309-F314 HydrophobicContact CD1-CD2 4.12Å; I309-F314 HydrophobicContact CG1-CB 4.24Å; I309-F314 HydrophobicContact CG2-CB 3.99Å; I309-F314 HydrophobicContact CG2-CD2 3.98Å; I309-F314 HydrophobicContact CG2-CG 4.28Å; S310-F314 PolarHBondContact O-N 3.27Å; A311-F314 PolarHBondContact O-N 3.06Å; F314-L317 PolarHBondContact O-N 2.58Å; F314-G318 PolarHBondContact O-N 3.13Å; F314-G319 WeakPolarHBondContact O-CA 3.4Å; F314-G319 PolarHBondContact O-N 2.78Å; F314-Y320 HydrophobicContact CE2-CD2 4.46Å; F314-Y320 HydrophobicContact CE2-CE2 4.36Å; F314-Y320 HydrophobicContact CZ-CD2 4.21Å; F314-Y320 HydrophobicContact CZ-CE2 4.41Å
315	W	98.5	Very high	97.9	Very high	103 Å²	103	23.9 Å²	23.9	39%	0.39	13%	0.125	S	C	.	.	H	α-helix	trans	-76	-29.8	178.7	-62.6	123.4	0	0	0	113.9	L209 A212 K213 A311 W313 L317 G318	L209-W315 HydrophobicContact CD2-CH2 4.34Å; L209-W315 HydrophobicContact CD2-CZ3 4.32Å; A212-W315 HydrophobicContact CB-CH2 3.88Å; A212-W315 HydrophobicContact CB-CZ2 3.65Å; K213-W315 HydrophobicContact CG-CH2 3.63Å; K213-W315 HydrophobicContact CG-CZ2 4.12Å; K213-W315 HydrophobicContact CG-CZ3 4.48Å; A311-W315 PolarHBondContact O-N 2.9Å; W313-W315 VanDerWaalsContact C-N 3.3Å; W313-W315 PolarHBondContact O-N 3.49Å; W315-L317 VanDerWaalsContact C-N 3.26Å; W315-L317 PolarHBondContact O-N 3.21Å; W315-G318 WeakPolarHBondContact O-CA 3.37Å; W315-G318 PolarHBondContact O-N 3.32Å
316	Q	98.3	Very high	97.7	Very high	75 Å²	75	24.3 Å²	24.3	35%	0.35	13%	0.125	S	C	.	.	H	α-helix	trans	-61.6	-36.2	169.3	-78.3	-178.2	-19.1	0	0	111.7	Y245 K312 W313 G318	Y245-Q316 PolarHBondContact OH-OE1 2.66Å; Y245-Q316 VanDerWaalsContact OH-OE1 3.12Å; K312-Q316 WeakPolarHBondContact O-CB 3.47Å; K312-Q316 VanDerWaalsContact O-CG 3.28Å; K312-Q316 WeakPolarHBondContact O-CG 3.38Å; K312-Q316 PolarHBondContact O-N 2.88Å; W313-Q316 HydrophobicContact CE3-CB 3.76Å; W313-Q316 VanDerWaalsContact CE3-OE1 3.3Å; W313-Q316 HydrophobicContact CZ3-CB 4.03Å; W313-Q316 PolarHBondContact O-N 3.42Å; Q316-G318 PolarHBondContact O-N 2.74Å
317	L	98.7	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	2.8	172.1	-66.4	-178.6	0	0	0	113.8	I309 W313 F314 W315 G319 L334 K337 V338 C341 L412 L416	I309-L317 HydrophobicContact CD1-CD1 4.48Å; W313-L317 HydrophobicContact CD2-CD1 4.23Å; W313-L317 HydrophobicContact CD2-CG 4.03Å; W313-L317 HydrophobicContact CE3-CG 4.37Å; W313-L317 HydrophobicContact CG-CD1 4.46Å; W313-L317 HydrophobicContact CH2-CD2 3.67Å; W313-L317 HydrophobicContact CH2-CG 4.22Å; W313-L317 HydrophobicContact CZ2-CD1 4.04Å; W313-L317 HydrophobicContact CZ2-CD2 3.55Å; W313-L317 HydrophobicContact CZ2-CG 3.89Å; W313-L317 HydrophobicContact CZ3-CD2 4.23Å; W313-L317 HydrophobicContact CZ3-CG 4.45Å; W313-L317 WeakPolarHBondContact O-CG 3.38Å; W313-L317 PolarHBondContact O-N 3.02Å; F314-L317 PolarHBondContact O-N 2.58Å; W315-L317 VanDerWaalsContact C-N 3.26Å; W315-L317 PolarHBondContact O-N 3.21Å; L317-G319 VanDerWaalsContact C-N 3.26Å; L317-G319 PolarHBondContact O-N 3.06Å; L317-L334 HydrophobicContact CD1-CD1 4.07Å; L317-K337 HydrophobicContact CB-CD 4.4Å; L317-K337 HydrophobicContact CD1-CB 4.27Å; L317-K337 HydrophobicContact CD2-CB 4.19Å; L317-K337 PolarHBondContact O-NZ 3.5Å; L317-V338 HydrophobicContact CD1-CG2 3.75Å; L317-C341 HydrophobicContact CD2-CB 4.05Å; L317-L412 WeakPolarHBondContact O-CD2 3.4Å; L317-L416 HydrophobicContact CD2-CD1 4.11Å
318	G	98.2	Very high	97.1	Very high	35 Å²	35	29.8 Å²	29.8	36%	0.361	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	16.1	-177.6	0	0	0	0	0	114.6	F314 W315 Q316	F314-G318 PolarHBondContact O-N 3.13Å; W315-G318 WeakPolarHBondContact O-CA 3.37Å; W315-G318 PolarHBondContact O-N 3.32Å; Q316-G318 PolarHBondContact O-N 2.74Å
319	G	98	Very high	96.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	61.4	-144.7	-172.2	0	0	0	0	0	112.5	F314 L317 K337	F314-G319 WeakPolarHBondContact O-CA 3.4Å; F314-G319 PolarHBondContact O-N 2.78Å; L317-G319 VanDerWaalsContact C-N 3.26Å; L317-G319 PolarHBondContact O-N 3.06Å; G319-K337 PolarHBondContact O-NZ 3.41Å
320	Y	98.4	Very high	96.9	Very high	1 Å²	1	30 Å²	30	0%	0.004	15%	0.147	C	C	.	.	S	Bend	trans	-81.4	152.8	167.8	-66.3	-60.2	0	0	0	111.7	I205 R208 L209 F307 F314 E322 E330 E333 L334	I205-Y320 HydrophobicContact CG2-CD2 4.11Å; I205-Y320 HydrophobicContact CG2-CG 3.9Å; R208-Y320 HydrophobicContact CB-CE2 4.18Å; L209-Y320 HydrophobicContact CD2-CD2 4.26Å; L209-Y320 HydrophobicContact CG-CD2 4.33Å; F307-Y320 WeakPolarHBondContact CE1-OH 3.24Å; F307-Y320 HydrophobicContact CZ-CE2 4.49Å; F307-Y320 WeakPolarHBondContact CZ-OH 2.91Å; F314-Y320 HydrophobicContact CE2-CD2 4.46Å; F314-Y320 HydrophobicContact CE2-CE2 4.36Å; F314-Y320 HydrophobicContact CZ-CD2 4.21Å; F314-Y320 HydrophobicContact CZ-CE2 4.41Å; Y320-E322 PolarHBondContact O-N 2.57Å; Y320-E322 VanDerWaalsContact O-N 3.09Å; Y320-E330 HydrophobicContact CD1-CB 3.71Å; Y320-E330 HydrophobicContact CD1-CG 4.43Å; Y320-E330 HydrophobicContact CE1-CB 3.65Å; Y320-E330 HydrophobicContact CE1-CG 3.92Å; Y320-E330 WeakPolarHBondContact CE1-O 3.22Å; Y320-E330 HydrophobicContact CG-CB 4.38Å; Y320-E333 WeakPolarHBondContact CA-OE2 3.26Å; Y320-L334 HydrophobicContact CD1-CB 4.35Å; Y320-L334 HydrophobicContact CE1-CB 3.77Å; Y320-L334 HydrophobicContact CE1-CD2 3.86Å; Y320-L334 HydrophobicContact CE1-CG 4.4Å
321	D	98.5	Very high	96.8	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.032	14%	0.144	C	C	.	.			trans	-62.3	109.7	165.8	172.8	26	0	0	0	110.3	G323 L324 E333 R378 Q409	D321-G323 PolarHBondContact O-N 2.88Å; D321-G323 PolarHBondContact OD1-N 2.89Å; D321-L324 HydrophobicContact CB-CD1 4.11Å; D321-L324 HydrophobicContact CB-CG 3.92Å; D321-L324 WeakPolarHBondContact O-CB 3.45Å; D321-L324 WeakPolarHBondContact O-CG 3.5Å; D321-L324 PolarHBondContact O-N 2.99Å; D321-E333 WeakPolarHBondContact CB-OE1 3.37Å; D321-E333 VanDerWaalsContact N-CD 3.31Å; D321-E333 PolarHBondContact N-OE1 3.15Å; D321-E333 PolarHBondContact N-OE2 2.77Å; D321-R378 VanDerWaalsContact CG-NH2 3.25Å; D321-R378 IonicContact OD1-CZ 3.99Å; D321-R378 IonicContact OD1-NE 3.01Å; D321-R378 IonicContact OD1-NH2 2.71Å; D321-R378 PolarHBondContact OD1-NH2 3.33Å; D321-R378 IonicContact OD2-CZ 2.69Å; D321-R378 IonicContact OD2-NE 3.89Å; D321-R378 PolarHBondContact OD2-NE 2.87Å; D321-R378 IonicContact OD2-NH2 2.75Å; D321-R378 PolarHBondContact OD2-NH2 3.33Å; D321-Q409 HydrophobicContact CB-CG 4.26Å; D321-Q409 PolarHBondContact OD1-NE2 2.89Å
322	E	96.9	Very high	96.8	Very high	75 Å²	75	29.1 Å²	29.1	35%	0.35	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.3	177.7	-68	173.7	150.2	0	0	112.7	R206 L209 K213 Y320 L324 K408	R206-E322 VanDerWaalsContact CZ-O 3.25Å; R206-E322 PolarHBondContact NE-O 2.78Å; R206-E322 PolarHBondContact NH2-O 2.92Å; L209-E322 HydrophobicContact CD1-CG 3.63Å; K213-E322 IonicContact NZ-OE1 3.04Å; K213-E322 PolarHBondContact NZ-OE1 3.29Å; Y320-E322 PolarHBondContact O-N 2.57Å; Y320-E322 VanDerWaalsContact O-N 3.09Å; E322-L324 VanDerWaalsContact C-N 3.32Å; E322-K408 IonicContact OE2-NZ 3.92Å; E322-K408 PolarHBondContact OE2-NZ 3.22Å
323	G	96.9	Very high	96.9	Very high	17 Å²	17	23.3 Å²	23.3	18%	0.175	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-7.2	173.3	0	0	0	0	0	115.1	D321 R374 R378	D321-G323 PolarHBondContact O-N 2.88Å; D321-G323 PolarHBondContact OD1-N 2.89Å; G323-R374 PolarHBondContact O-NH2 3.08Å; G323-R378 WeakPolarHBondContact O-CD 3.45Å
324	L	97	Very high	96.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.112	C	C	.	.			trans	-76.9	127.9	172.6	-56.8	174.2	0	0	0	110	I205 D321 E322 E330 E333 N375 R378 V379	I205-L324 HydrophobicContact CD1-CB 3.47Å; I205-L324 VanDerWaalsContact CD1-CB 3.47Å; I205-L324 HydrophobicContact CD1-CD1 4.32Å; I205-L324 HydrophobicContact CG2-CB 4.22Å; I205-L324 HydrophobicContact CG2-CD1 4.49Å; D321-L324 HydrophobicContact CB-CD1 4.11Å; D321-L324 HydrophobicContact CB-CG 3.92Å; D321-L324 WeakPolarHBondContact O-CB 3.45Å; D321-L324 WeakPolarHBondContact O-CG 3.5Å; D321-L324 PolarHBondContact O-N 2.99Å; E322-L324 VanDerWaalsContact C-N 3.32Å; L324-E330 HydrophobicContact CD1-CB 4.1Å; L324-E333 HydrophobicContact CD1-CB 4.46Å; L324-N375 WeakPolarHBondContact CA-OD1 3.08Å; L324-N375 HydrophobicContact CD2-CB 3.75Å; L324-R378 HydrophobicContact CD2-CB 4.15Å; L324-V379 HydrophobicContact CD2-CG2 4.1Å
325	D	94	Very high	96.9	Very high	13 Å²	13	22.9 Å²	22.9	7%	0.07	11%	0.112	C	C	.	.			trans	-97.1	138.3	-177.5	-76.1	-26.6	0	0	0	111.4	R206 W327 V368 Y371 R374 N375	R206-D325 IonicContact CZ-OD1 3.97Å; R206-D325 VanDerWaalsContact CZ-OD1 3.31Å; R206-D325 IonicContact NH1-OD1 3Å; R206-D325 PolarHBondContact NH1-OD1 3.06Å; R206-D325 IonicContact NH2-OD1 3.8Å; R206-D325 PolarHBondContact NH2-OD1 2.99Å; D325-W327 VanDerWaalsContact C-N 3.31Å; D325-W327 PolarHBondContact O-N 3.19Å; D325-V368 HydrophobicContact CB-CG1 4.37Å; D325-V368 WeakPolarHBondContact OD2-CG1 3.37Å; D325-Y371 WeakPolarHBondContact O-CD2 3.36Å; D325-R374 IonicContact OD1-NH2 3.95Å; D325-R374 PolarHBondContact OD1-NH2 3.45Å; D325-R374 IonicContact OD2-CZ 3.2Å; D325-R374 IonicContact OD2-NE 3.57Å; D325-R374 IonicContact OD2-NH1 2.78Å; D325-R374 PolarHBondContact OD2-NH1 2.82Å; D325-R374 IonicContact OD2-NH2 3.88Å; D325-R374 PolarHBondContact OD2-NH2 3.14Å; D325-N375 PolarHBondContact N-ND2 3.09Å; D325-N375 PolarHBondContact N-OD1 3.37Å; D325-N375 PolarHBondContact O-ND2 3.3Å
326	I	89.6	Confident	96.9	Very high	17 Å²	17	18 Å²	18	9%	0.087	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	58.3	-79.8	165.5	-51.9	156.2	0	0	0	114.3	L204 P366 V368 Y371	L204-I326 WeakPolarHBondContact CB-O 3.36Å; L204-I326 PolarHBondContact N-O 3.04Å; I326-P366 HydrophobicContact CD1-CG 3.38Å; I326-P366 HydrophobicContact CG1-CG 4.04Å; I326-V368 HydrophobicContact CD1-CB 4.04Å; I326-V368 HydrophobicContact CD1-CG2 4.14Å; I326-Y371 HydrophobicContact CB-CD2 4.05Å; I326-Y371 HydrophobicContact CB-CE2 3.85Å; I326-Y371 HydrophobicContact CD1-CD1 3.63Å; I326-Y371 HydrophobicContact CD1-CD2 4.23Å; I326-Y371 HydrophobicContact CD1-CE1 3.75Å; I326-Y371 HydrophobicContact CD1-CE2 4.34Å; I326-Y371 HydrophobicContact CD1-CG 3.89Å; I326-Y371 HydrophobicContact CG2-CE2 4.13Å
327	W	92.3	Very high	96.9	Very high	125 Å²	125	14.4 Å²	14.4	47%	0.473	8%	0.077	S	C	.	.	S	Bend	trans	-153.2	148	-171.7	179.9	87.4	0	0	0	111.4	D325 Y371 V372 N375	D325-W327 VanDerWaalsContact C-N 3.31Å; D325-W327 PolarHBondContact O-N 3.19Å; W327-Y371 HydrophobicContact CB-CE2 4.26Å; W327-Y371 WeakPolarHBondContact O-CE2 3.32Å; W327-V372 HydrophobicContact CE3-CG2 4.25Å; W327-V372 HydrophobicContact CZ3-CG2 4.49Å; W327-N375 PolarHBondContact O-ND2 3.06Å
328	G	91.8	Very high	96.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	91.1	132.3	170.3	0	0	0	0	0	112.2	E330 N375	G328-E330 VanDerWaalsContact C-OE2 3.26Å; G328-E330 WeakPolarHBondContact CA-OE2 3.16Å; G328-E330 PolarHBondContact N-OE2 3.01Å; G328-N375 WeakPolarHBondContact O-CB 2.99Å; G328-N375 PolarHBondContact O-ND2 3.4Å
329	G	96	Very high	96.9	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	104.6	-30.6	178.2	0	0	0	0	0	112.5	Q331 Y332 E333	G329-Q331 VanDerWaalsContact C-N 3.3Å; G329-Q331 VanDerWaalsContact C-OE1 3.3Å; G329-Q331 PolarHBondContact O-N 3.49Å; G329-Y332 PolarHBondContact O-N 2.99Å; G329-Y332 VanDerWaalsContact O-N 3.15Å; G329-E333 PolarHBondContact O-N 2.68Å
330	E	97.8	Very high	97	Very high	4 Å²	4	13 Å²	13	2%	0.019	6%	0.061	C	C	.	.	H	α-helix	trans	-64.3	-35.3	-175	81.5	-73.2	-179.4	0	0	112.5	I205 R208 Y320 L324 G328 Y332 E333 L334	I205-E330 HydrophobicContact CD1-CB 3.95Å; I205-E330 HydrophobicContact CD1-CG 4.43Å; I205-E330 HydrophobicContact CG1-CB 3.89Å; I205-E330 HydrophobicContact CG1-CG 4Å; I205-E330 HydrophobicContact CG2-CB 4.01Å; R208-E330 IonicContact NH1-OE1 2.73Å; R208-E330 PolarHBondContact NH1-OE1 3.28Å; Y320-E330 HydrophobicContact CD1-CB 3.71Å; Y320-E330 HydrophobicContact CD1-CG 4.43Å; Y320-E330 HydrophobicContact CE1-CB 3.65Å; Y320-E330 HydrophobicContact CE1-CG 3.92Å; Y320-E330 WeakPolarHBondContact CE1-O 3.22Å; Y320-E330 HydrophobicContact CG-CB 4.38Å; L324-E330 HydrophobicContact CD1-CB 4.1Å; G328-E330 VanDerWaalsContact C-OE2 3.26Å; G328-E330 WeakPolarHBondContact CA-OE2 3.16Å; G328-E330 PolarHBondContact N-OE2 3.01Å; E330-Y332 VanDerWaalsContact C-N 3.32Å; E330-Y332 PolarHBondContact O-N 2.89Å; E330-E333 PolarHBondContact O-N 2.87Å; E330-L334 WeakPolarHBondContact O-CB 3.42Å; E330-L334 PolarHBondContact O-N 2.84Å
331	Q	98	Very high	97	Very high	8 Å²	8	13.7 Å²	13.7	4%	0.037	7%	0.066	C	C	.	.	H	α-helix	trans	-67.1	-36.5	177.9	76.2	-80.8	48.6	0	0	111.6	M302 G329 S335	M302-Q331 HydrophobicContact CG-CB 4.14Å; G329-Q331 VanDerWaalsContact C-N 3.3Å; G329-Q331 VanDerWaalsContact C-OE1 3.3Å; G329-Q331 PolarHBondContact O-N 3.49Å; Q331-S335 VanDerWaalsContact O-CB 3.23Å; Q331-S335 WeakPolarHBondContact O-CB 3.24Å; Q331-S335 PolarHBondContact O-N 2.63Å; Q331-S335 VanDerWaalsContact O-N 3.16Å; Q331-S335 PolarHBondContact O-OG 2.76Å
332	Y	98.7	Very high	97	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-72.9	-47.2	175.7	-60.3	-54.4	0	0	0	110.7	W274 F278 Y280 V301 G329 E330 L334 S335 F336 Y376	W274-Y332 HydrophobicContact CB-CE1 3.77Å; W274-Y332 HydrophobicContact CG-CE1 4.48Å; F278-Y332 HydrophobicContact CB-CE2 4.17Å; F278-Y332 HydrophobicContact CD1-CD2 4.46Å; F278-Y332 HydrophobicContact CG-CD2 4.46Å; F278-Y332 HydrophobicContact CG-CE2 4.24Å; F278-Y332 WeakPolarHBondContact O-CE2 3.36Å; F278-Y332 PolarHBondContact O-OH 2.86Å; Y280-Y332 VanDerWaalsContact CA-OH 3.3Å; Y280-Y332 WeakPolarHBondContact CA-OH 3.43Å; Y280-Y332 PolarHBondContact N-OH 2.99Å; V301-Y332 HydrophobicContact CG1-CD1 3.69Å; V301-Y332 HydrophobicContact CG1-CE1 3.82Å; V301-Y332 HydrophobicContact CG2-CD1 4.25Å; G329-Y332 PolarHBondContact O-N 2.99Å; G329-Y332 VanDerWaalsContact O-N 3.15Å; E330-Y332 VanDerWaalsContact C-N 3.32Å; E330-Y332 PolarHBondContact O-N 2.89Å; Y332-L334 PolarHBondContact O-N 3.3Å; Y332-S335 PolarHBondContact O-N 2.8Å; Y332-F336 HydrophobicContact CD1-CZ 4.38Å; Y332-F336 HydrophobicContact CG-CZ 4.49Å; Y332-F336 VanDerWaalsContact O-CB 3.27Å; Y332-F336 WeakPolarHBondContact O-CB 3.29Å; Y332-F336 WeakPolarHBondContact O-CD1 3.1Å; Y332-F336 VanDerWaalsContact O-CD2 3.22Å; Y332-F336 WeakPolarHBondContact O-CD2 3.42Å; Y332-F336 WeakPolarHBondContact O-CG 3.43Å; Y332-F336 PolarHBondContact O-N 2.91Å; Y332-Y376 HydrophobicContact CD2-CE1 4.46Å; Y332-Y376 HydrophobicContact CE2-CE1 4.19Å
333	E	98.8	Very high	97.1	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.009	7%	0.074	C	C	.	.	H	α-helix	trans	-53.4	-53.3	178.7	-166.6	-150.1	-179.1	0	0	111.3	Y320 D321 L324 G329 E330 F336 K337 V379	Y320-E333 WeakPolarHBondContact CA-OE2 3.26Å; D321-E333 WeakPolarHBondContact CB-OE1 3.37Å; D321-E333 VanDerWaalsContact N-CD 3.31Å; D321-E333 PolarHBondContact N-OE1 3.15Å; D321-E333 PolarHBondContact N-OE2 2.77Å; L324-E333 HydrophobicContact CD1-CB 4.46Å; G329-E333 PolarHBondContact O-N 2.68Å; E330-E333 PolarHBondContact O-N 2.87Å; E333-F336 PolarHBondContact O-N 3.34Å; E333-K337 HydrophobicContact CG-CD 4.38Å; E333-K337 WeakPolarHBondContact O-CB 3.27Å; E333-K337 WeakPolarHBondContact O-CG 3.17Å; E333-K337 PolarHBondContact O-N 3.19Å; E333-K337 WeakPolarHBondContact OE1-CE 3.26Å; E333-K337 IonicContact OE1-NZ 2.69Å; E333-K337 PolarHBondContact OE1-NZ 3.21Å; E333-K337 IonicContact OE2-NZ 3.45Å; E333-V379 HydrophobicContact CB-CG1 4.4Å; E333-V379 HydrophobicContact CB-CG2 3.94Å; E333-V379 HydrophobicContact CG-CG2 4.43Å
334	L	98.7	Very high	97.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-68.1	-41.2	-177.8	-176.1	59	0	0	0	111.7	M302 F307 L317 Y320 E330 Y332 F336 K337 V338	M302-L334 HydrophobicContact CE-CB 4.49Å; M302-L334 HydrophobicContact CE-CD2 3.88Å; M302-L334 HydrophobicContact CE-CG 4Å; M302-L334 HydrophobicContact SD-CD2 4.12Å; F307-L334 HydrophobicContact CD2-CD2 4.35Å; F307-L334 HydrophobicContact CE1-CD2 4.45Å; F307-L334 HydrophobicContact CE2-CD2 3.66Å; F307-L334 HydrophobicContact CZ-CD2 3.72Å; L317-L334 HydrophobicContact CD1-CD1 4.07Å; Y320-L334 HydrophobicContact CD1-CB 4.35Å; Y320-L334 HydrophobicContact CE1-CB 3.77Å; Y320-L334 HydrophobicContact CE1-CD2 3.86Å; Y320-L334 HydrophobicContact CE1-CG 4.4Å; E330-L334 WeakPolarHBondContact O-CB 3.42Å; E330-L334 PolarHBondContact O-N 2.84Å; Y332-L334 PolarHBondContact O-N 3.3Å; L334-F336 VanDerWaalsContact C-N 3.31Å; L334-F336 PolarHBondContact O-N 3.12Å; L334-K337 WeakPolarHBondContact O-CB 3.45Å; L334-K337 PolarHBondContact O-N 3.44Å; L334-V338 HydrophobicContact CD1-CG2 4.09Å; L334-V338 HydrophobicContact CG-CG2 4.3Å; L334-V338 WeakPolarHBondContact O-CB 3.33Å; L334-V338 WeakPolarHBondContact O-CG2 3.21Å; L334-V338 PolarHBondContact O-N 3.09Å
335	S	98.9	Very high	97.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.8	-43.4	176.3	-59.8	0	0	0	0	111.8	V301 M302 Q331 Y332 V338 W339	V301-S335 WeakPolarHBondContact CA-OG 3.46Å; M302-S335 PolarHBondContact N-OG 3.35Å; Q331-S335 VanDerWaalsContact O-CB 3.23Å; Q331-S335 WeakPolarHBondContact O-CB 3.24Å; Q331-S335 PolarHBondContact O-N 2.63Å; Q331-S335 VanDerWaalsContact O-N 3.16Å; Q331-S335 PolarHBondContact O-OG 2.76Å; Y332-S335 PolarHBondContact O-N 2.8Å; S335-V338 PolarHBondContact O-N 3.29Å; S335-W339 PolarHBondContact O-N 3.21Å; S335-W339 VanDerWaalsContact O-N 3.14Å
336	F	98.9	Very high	97.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66.6	-44	178.2	-65.4	-13.4	0	0	0	111.8	W274 F278 V301 Y332 E333 L334 Q340 V379 W383 M384 F421 Y424	W274-F336 HydrophobicContact CH2-CE1 4.41Å; W274-F336 HydrophobicContact CZ3-CE1 4.33Å; F278-F336 HydrophobicContact CE2-CZ 4.46Å; F278-F336 HydrophobicContact CZ-CE2 4.18Å; V301-F336 HydrophobicContact CG2-CE1 4.15Å; Y332-F336 HydrophobicContact CD1-CZ 4.38Å; Y332-F336 HydrophobicContact CG-CZ 4.49Å; Y332-F336 VanDerWaalsContact O-CB 3.27Å; Y332-F336 WeakPolarHBondContact O-CB 3.29Å; Y332-F336 WeakPolarHBondContact O-CD1 3.1Å; Y332-F336 VanDerWaalsContact O-CD2 3.22Å; Y332-F336 WeakPolarHBondContact O-CD2 3.42Å; Y332-F336 WeakPolarHBondContact O-CG 3.43Å; Y332-F336 PolarHBondContact O-N 2.91Å; E333-F336 PolarHBondContact O-N 3.34Å; L334-F336 VanDerWaalsContact C-N 3.31Å; L334-F336 PolarHBondContact O-N 3.12Å; F336-Q340 WeakPolarHBondContact O-CB 3.48Å; F336-Q340 WeakPolarHBondContact O-CG 3.32Å; F336-Q340 PolarHBondContact O-N 3.04Å; F336-V379 HydrophobicContact CD2-CG1 3.9Å; F336-V379 HydrophobicContact CE2-CG1 3.9Å; F336-W383 HydrophobicContact CB-CB 4.16Å; F336-W383 HydrophobicContact CB-CG 4.42Å; F336-W383 HydrophobicContact CD2-CB 3.86Å; F336-W383 HydrophobicContact CG-CB 4.45Å; F336-M384 HydrophobicContact CE2-CG 4.14Å; F336-F421 AromaticContact CD1-CE2 3.94Å; F336-F421 HydrophobicContact CD1-CE2 3.94Å; F336-F421 HydrophobicContact CD2-CE2 4.12Å; F336-F421 AromaticContact CE1-CE2 3.78Å; F336-F421 HydrophobicContact CE1-CE2 3.78Å; F336-F421 HydrophobicContact CE1-CZ 4.22Å; F336-F421 AromaticContact CE2-CE2 3.94Å; F336-F421 HydrophobicContact CE2-CE2 3.94Å; F336-F421 HydrophobicContact CE2-CZ 4.46Å; F336-F421 HydrophobicContact CG-CE2 4.12Å; F336-F421 AromaticContact CZ-CE2 3.78Å; F336-F421 HydrophobicContact CZ-CE2 3.78Å; F336-F421 HydrophobicContact CZ-CZ 4.04Å; F336-Y424 HydrophobicContact CD1-CD1 4.44Å; F336-Y424 AromaticContact CD1-CE1 3.73Å; F336-Y424 HydrophobicContact CD1-CE1 3.73Å; F336-Y424 HydrophobicContact CD1-CE2 4.46Å; F336-Y424 AromaticContact CD1-CZ 3.77Å; F336-Y424 AromaticContact CE1-CE1 3.62Å; F336-Y424 HydrophobicContact CE1-CE1 3.62Å; F336-Y424 AromaticContact CE1-CZ 3.88Å
337	K	98.8	Very high	97.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-55.5	-53.7	172.9	-82.1	176.5	177.3	-177.9	0	111.5	L317 G319 E333 L334 W339 C341 W383	L317-K337 HydrophobicContact CB-CD 4.4Å; L317-K337 HydrophobicContact CD1-CB 4.27Å; L317-K337 HydrophobicContact CD2-CB 4.19Å; L317-K337 PolarHBondContact O-NZ 3.5Å; G319-K337 PolarHBondContact O-NZ 3.41Å; E333-K337 HydrophobicContact CG-CD 4.38Å; E333-K337 WeakPolarHBondContact O-CB 3.27Å; E333-K337 WeakPolarHBondContact O-CG 3.17Å; E333-K337 PolarHBondContact O-N 3.19Å; E333-K337 WeakPolarHBondContact OE1-CE 3.26Å; E333-K337 IonicContact OE1-NZ 2.69Å; E333-K337 PolarHBondContact OE1-NZ 3.21Å; E333-K337 IonicContact OE2-NZ 3.45Å; L334-K337 WeakPolarHBondContact O-CB 3.45Å; L334-K337 PolarHBondContact O-N 3.44Å; K337-W339 PolarHBondContact O-N 2.87Å; K337-C341 WeakPolarHBondContact O-CB 3.39Å; K337-C341 PolarHBondContact O-N 3.3Å; K337-C341 PolarHBondContact O-SG 3.1Å; K337-W383 HydrophobicContact CD-CH2 4.28Å; K337-W383 HydrophobicContact CD-CZ2 3.98Å; K337-W383 HydrophobicContact CG-CD2 4.39Å; K337-W383 HydrophobicContact CG-CE3 4.33Å; K337-W383 HydrophobicContact CG-CH2 3.4Å; K337-W383 HydrophobicContact CG-CZ2 3.43Å; K337-W383 VanDerWaalsContact CG-CZ2 3.43Å; K337-W383 HydrophobicContact CG-CZ3 3.85Å
338	V	98.8	Very high	98.2	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-55.6	-52.7	-177	169.3	0	0	0	0	110.4	V248 L317 L334 S335 G343 Q344 L345	V248-V338 HydrophobicContact CB-CG1 4.49Å; V248-V338 HydrophobicContact CB-CG2 4.39Å; V248-V338 HydrophobicContact CG2-CB 4.43Å; V248-V338 HydrophobicContact CG2-CG1 4.04Å; V248-V338 HydrophobicContact CG2-CG2 3.47Å; V248-V338 VanDerWaalsContact CG2-CG2 3.47Å; L317-V338 HydrophobicContact CD1-CG2 3.75Å; L334-V338 HydrophobicContact CD1-CG2 4.09Å; L334-V338 HydrophobicContact CG-CG2 4.3Å; L334-V338 WeakPolarHBondContact O-CB 3.33Å; L334-V338 WeakPolarHBondContact O-CG2 3.21Å; L334-V338 PolarHBondContact O-N 3.09Å; S335-V338 PolarHBondContact O-N 3.29Å; V338-G343 CarbonylContact O-C 3.06Å; V338-G343 WeakPolarHBondContact O-CA 3.45Å; V338-G343 PolarHBondContact O-N 3.29Å; V338-Q344 WeakPolarHBondContact CG1-O 3.47Å; V338-L345 HydrophobicContact CG1-CB 4.2Å
339	W	98.8	Very high	98.5	Very high	5 Å²	5	8.8 Å²	8.8	2%	0.019	6%	0.059	C	C	.	.	H	α-helix	trans	-71.9	-48.1	-177.2	-78.4	117.6	0	0	0	113.8	R298 S299 P300 S335 K337 C341 Q344 L345 W423 Y424 I428	R298-W339 HydrophobicContact CB-CH2 4.21Å; R298-W339 HydrophobicContact CB-CZ2 4.19Å; R298-W339 HydrophobicContact CG-CH2 4.06Å; R298-W339 VanDerWaalsContact NH2-CH2 3.32Å; S299-W339 PolarHBondContact O-NE1 2.74Å; P300-W339 PolarHBondContact O-NE1 3.4Å; S335-W339 PolarHBondContact O-N 3.21Å; S335-W339 VanDerWaalsContact O-N 3.14Å; K337-W339 PolarHBondContact O-N 2.87Å; W339-C341 VanDerWaalsContact C-N 3.3Å; W339-C341 PolarHBondContact O-N 2.67Å; W339-Q344 HydrophobicContact CE3-CB 4.48Å; W339-Q344 HydrophobicContact CH2-CB 3.69Å; W339-Q344 VanDerWaalsContact CZ3-CA 3.5Å; W339-Q344 HydrophobicContact CZ3-CB 3.6Å; W339-L345 HydrophobicContact CZ2-CB 4.03Å; W339-L345 VanDerWaalsContact CZ2-N 3.31Å; W339-L345 VanDerWaalsContact CZ2-O 3.22Å; W339-L345 WeakPolarHBondContact CZ2-O 3.42Å; W339-W423 WeakPolarHBondContact O-CZ3 2.87Å; W339-Y424 HydrophobicContact CB-CD2 3.63Å; W339-Y424 HydrophobicContact CB-CE2 3.74Å; W339-Y424 AromaticContact CD1-CE2 3.55Å; W339-Y424 HydrophobicContact CG-CD2 4.1Å; W339-Y424 AromaticContact CG-CE2 3.78Å; W339-Y424 HydrophobicContact CG-CE2 3.78Å; W339-I428 HydrophobicContact CB-CG1 4.33Å; W339-I428 HydrophobicContact CD2-CB 4.49Å; W339-I428 HydrophobicContact CD2-CD1 3.92Å; W339-I428 HydrophobicContact CD2-CG1 4Å; W339-I428 HydrophobicContact CD2-CG2 3.69Å; W339-I428 HydrophobicContact CE3-CD1 3.52Å; W339-I428 HydrophobicContact CE3-CG1 4.06Å; W339-I428 HydrophobicContact CE3-CG2 4.38Å; W339-I428 HydrophobicContact CG-CG1 4.18Å; W339-I428 HydrophobicContact CG-CG2 3.85Å; W339-I428 HydrophobicContact CH2-CD1 4.49Å; W339-I428 HydrophobicContact CZ2-CG2 4.11Å; W339-I428 HydrophobicContact CZ3-CD1 3.88Å
340	Q	98.9	Very high	98.6	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-69.4	-30.7	-175.1	-68.4	178.5	70.2	0	0	111.7	F336 W383 C418 K419	F336-Q340 WeakPolarHBondContact O-CB 3.48Å; F336-Q340 WeakPolarHBondContact O-CG 3.32Å; F336-Q340 PolarHBondContact O-N 3.04Å; Q340-W383 PolarHBondContact NE2-O 3.38Å; Q340-C418 HydrophobicContact CB-CB 4.06Å; Q340-C418 CarbonylContact O-C 3.51Å; Q340-C418 VanDerWaalsContact O-CA 3.32Å; Q340-C418 WeakPolarHBondContact O-CA 3.4Å; Q340-K419 PolarHBondContact O-N 2.86Å; Q340-K419 PolarHBondContact OE1-O 3.19Å
341	C	98.8	Very high	98.6	Very high	15 Å²	15	8.7 Å²	8.7	10%	0.101	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	17.2	-174	-46.4	0	0	0	0	113.6	L317 K337 W339 L416 C418	L317-C341 HydrophobicContact CD2-CB 4.05Å; K337-C341 WeakPolarHBondContact O-CB 3.39Å; K337-C341 PolarHBondContact O-N 3.3Å; K337-C341 PolarHBondContact O-SG 3.1Å; W339-C341 VanDerWaalsContact C-N 3.3Å; W339-C341 PolarHBondContact O-N 2.67Å; C341-L416 HydrophobicContact CB-CB 4.27Å; C341-L416 HydrophobicContact CB-CD1 4.36Å; C341-C418 HydrophobicContact CB-CB 4.07Å; C341-C418 WeakPolarHBondContact CB-SG 3.29Å; C341-C418 WeakPolarHBondContact SG-CB 3.29Å; C341-C418 CovalentContact SG-SG 2.04Å; C341-C418 PolarHBondContact SG-SG 2.91Å
342	G	98.2	Very high	98.6	Very high	45 Å²	45	8.6 Å²	8.6	46%	0.464	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	15.3	166.3	0	0	0	0	0	116.3
343	G	98.7	Very high	98.6	Very high	9 Å²	9	8.6 Å²	8.6	9%	0.093	6%	0.058	C	C	.	.			trans	-98.5	-166.1	167	0	0	0	0	0	112.5	R246 V338	R246-G343 VanDerWaalsContact O-CA 3.28Å; R246-G343 WeakPolarHBondContact O-CA 3.37Å; V338-G343 CarbonylContact O-C 3.06Å; V338-G343 WeakPolarHBondContact O-CA 3.45Å; V338-G343 PolarHBondContact O-N 3.29Å
344	Q	98.6	Very high	98.6	Very high	59 Å²	59	8.5 Å²	8.5	28%	0.276	6%	0.058	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	147.3	178.9	49.7	179.5	-32	0	0	111.4	D244 R246 T247 V248 V338 W339	D244-Q344 PolarHBondContact OD2-NE2 3.24Å; R246-Q344 PolarHBondContact O-N 3.17Å; T247-Q344 CarbonylContact C-O 3.58Å; T247-Q344 WeakPolarHBondContact CA-O 3.22Å; T247-Q344 HydrophobicContact CG2-CG 3.95Å; T247-Q344 VanDerWaalsContact OG1-CG 3.31Å; T247-Q344 WeakPolarHBondContact OG1-CG 3.46Å; T247-Q344 PolarHBondContact OG1-NE2 3.1Å; T247-Q344 VanDerWaalsContact OG1-NE2 3.1Å; V248-Q344 PolarHBondContact N-O 3.09Å; V338-Q344 WeakPolarHBondContact CG1-O 3.47Å; W339-Q344 HydrophobicContact CE3-CB 4.48Å; W339-Q344 HydrophobicContact CH2-CB 3.69Å; W339-Q344 VanDerWaalsContact CZ3-CA 3.5Å; W339-Q344 HydrophobicContact CZ3-CB 3.6Å
345	L	98.9	Very high	98.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.9	177.2	178.4	65.8	0	0	0	109.3	V248 S299 M302 V338 W339	V248-L345 HydrophobicContact CB-CD1 3.74Å; V248-L345 HydrophobicContact CG1-CD1 3.64Å; V248-L345 WeakPolarHBondContact O-CA 3.13Å; S299-L345 PolarHBondContact N-O 2.9Å; S299-L345 WeakPolarHBondContact O-CD2 3.4Å; M302-L345 HydrophobicContact CB-CD1 4.3Å; M302-L345 HydrophobicContact CB-CD2 4.02Å; M302-L345 HydrophobicContact CE-CD1 3.64Å; M302-L345 HydrophobicContact CE-CD2 4.28Å; V338-L345 HydrophobicContact CG1-CB 4.2Å; W339-L345 HydrophobicContact CZ2-CB 4.03Å; W339-L345 VanDerWaalsContact CZ2-N 3.31Å; W339-L345 VanDerWaalsContact CZ2-O 3.22Å; W339-L345 WeakPolarHBondContact CZ2-O 3.42Å
346	V	98.7	Very high	98.5	Very high	9 Å²	9	9.6 Å²	9.6	6%	0.055	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146	-179.1	-59.8	0	0	0	0	111.2	T247 V248 V249 C250 P296 F297 R298	T247-V346 HydrophobicContact CG2-CG2 3.79Å; V248-V346 PolarHBondContact O-N 3.04Å; V249-V346 CarbonylContact C-O 3.55Å; V249-V346 VanDerWaalsContact CA-O 3.28Å; V249-V346 WeakPolarHBondContact CA-O 3.28Å; V249-V346 HydrophobicContact CB-CG2 4.32Å; V249-V346 HydrophobicContact CG1-CG2 4.11Å; V249-V346 HydrophobicContact CG2-CG2 3.87Å; C250-V346 PolarHBondContact N-O 2.95Å; P296-V346 HydrophobicContact CB-CB 4.15Å; P296-V346 HydrophobicContact CB-CG2 4.07Å; F297-V346 CarbonylContact O-C 3.58Å; F297-V346 WeakPolarHBondContact O-CA 3.43Å; F297-V346 WeakPolarHBondContact O-CB 3.32Å; R298-V346 HydrophobicContact CG-CG1 4.22Å
347	D	98.6	Very high	98.2	Very high	20 Å²	20	13.8 Å²	13.8	11%	0.107	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	135.8	166.7	-75.7	-125.5	0	0	0	107.7	C250 F252 P296 F297 S299 P349	C250-D347 CarbonylContact O-C 3.45Å; C250-D347 VanDerWaalsContact O-CA 3.32Å; C250-D347 WeakPolarHBondContact O-CA 3.24Å; F252-D347 HydrophobicContact CE1-CB 4.25Å; P296-D347 CarbonylContact C-O 3.59Å; P296-D347 WeakPolarHBondContact CA-O 3.46Å; F297-D347 HydrophobicContact CD1-CB 4.48Å; F297-D347 HydrophobicContact CD2-CB 4.35Å; F297-D347 HydrophobicContact CE1-CB 3.87Å; F297-D347 HydrophobicContact CE2-CB 3.69Å; F297-D347 HydrophobicContact CZ-CB 3.41Å; F297-D347 VanDerWaalsContact CZ-CB 3.41Å; F297-D347 PolarHBondContact N-O 2.96Å; F297-D347 PolarHBondContact O-N 3.33Å; S299-D347 WeakPolarHBondContact CB-OD2 3.36Å; S299-D347 PolarHBondContact OG-OD2 3.19Å; S299-D347 VanDerWaalsContact OG-OD2 3.11Å; D347-P349 WeakPolarHBondContact O-CD 3.43Å
348	A	98.2	Very high	97.8	Very high	2 Å²	2	16.5 Å²	16.5	2%	0.017	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	101.4	-178.8	0	0	0	0	0	110.6	L237 V249 C250 P296 C350 S351	L237-A348 HydrophobicContact CD2-CB 4.41Å; V249-A348 HydrophobicContact CG1-CB 3.59Å; C250-A348 PolarHBondContact O-N 2.98Å; P296-A348 HydrophobicContact CG-CB 4.45Å; A348-C350 PolarHBondContact O-N 3.09Å; A348-S351 PolarHBondContact O-N 3.27Å
349	P	97.9	Very high	97.4	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.032	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	-16.8	-174.8	-23.9	33.1	0	0	0	115.7	F252 P293 K295 F297 D347 H352	F252-P349 HydrophobicContact CE1-CB 4.07Å; F252-P349 HydrophobicContact CE1-CG 4.04Å; F252-P349 HydrophobicContact CE2-CB 4.08Å; F252-P349 HydrophobicContact CZ-CB 3.7Å; F252-P349 HydrophobicContact CZ-CG 3.87Å; P293-P349 WeakPolarHBondContact O-CB 3.24Å; P293-P349 WeakPolarHBondContact O-CG 3.43Å; K295-P349 VanDerWaalsContact O-CD 3.32Å; K295-P349 WeakPolarHBondContact O-CD 3.37Å; K295-P349 WeakPolarHBondContact O-CG 3.28Å; F297-P349 HydrophobicContact CD1-CG 3.95Å; F297-P349 HydrophobicContact CE1-CG 3.93Å; D347-P349 WeakPolarHBondContact O-CD 3.43Å; P349-H352 PolarHBondContact O-CD2 2.91Å; P349-H352 VanDerWaalsContact O-CD2 3.28Å; P349-H352 PolarHBondContact O-NE2 2.81Å
350	C	98.3	Very high	96.9	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.02	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-3.9	177.6	-60.2	0	0	0	0	113.3	R116 C120 P236 N294 A348	R116-C350 WeakPolarHBondContact CD-O 3.42Å; C120-C350 WeakPolarHBondContact CA-SG 3.43Å; C120-C350 HydrophobicContact CB-CB 3.63Å; C120-C350 WeakPolarHBondContact CB-SG 3.43Å; C120-C350 WeakPolarHBondContact SG-CA 3.45Å; C120-C350 WeakPolarHBondContact SG-CB 3.47Å; C120-C350 CovalentContact SG-SG 2.04Å; C120-C350 PolarHBondContact SG-SG 2.92Å; P236-C350 HydrophobicContact CB-CB 4.12Å; P236-C350 HydrophobicContact CG-CB 4.3Å; N294-C350 PolarHBondContact O-SG 2.84Å; A348-C350 PolarHBondContact O-N 3.09Å
351	S	98.6	Very high	96.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.8	171.7	-172.6	0	0	0	0	109.7	W233 L237 P251 F252 A348	W233-S351 VanDerWaalsContact O-CB 3.27Å; W233-S351 WeakPolarHBondContact O-CB 3.12Å; W233-S351 PolarHBondContact O-OG 3.23Å; L237-S351 VanDerWaalsContact CG-OG 3.26Å; L237-S351 WeakPolarHBondContact CG-OG 3.01Å; P251-S351 CarbonylContact C-O 3.3Å; P251-S351 WeakPolarHBondContact CA-O 3.19Å; P251-S351 WeakPolarHBondContact CB-O 3.41Å; P251-S351 WeakPolarHBondContact CB-OG 3.35Å; F252-S351 PolarHBondContact N-O 2.82Å; A348-S351 PolarHBondContact O-N 3.27Å
352	H	98.4	Very high	95.5	Very high	5 Å²	5	31.5 Å²	31.5	2%	0.023	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.2	-176.9	-81.6	-108.6	0	0	0	111	V115 N230 F252 D254 P349	V115-H352 HydrophobicContact CG2-CB 4.48Å; V115-H352 WeakPolarHBondContact CG2-ND1 3.37Å; N230-H352 HydrophobicContact CB-CB 3.76Å; N230-H352 WeakPolarHBondContact CB-O 3.13Å; N230-H352 PolarHBondContact N-O 3.49Å; F252-H352 AromaticContact CD2-CE1 3.78Å; F252-H352 AromaticContact CD2-NE2 3.93Å; F252-H352 WeakPolarHBondContact O-CA 3.3Å; D254-H352 IonicContact OD1-CE1 2.85Å; D254-H352 IonicContact OD1-ND1 3.24Å; D254-H352 PolarHBondContact OD1-ND1 3.26Å; D254-H352 WeakPolarHBondContact OD2-CB 3.47Å; D254-H352 IonicContact OD2-CE1 3.81Å; D254-H352 IonicContact OD2-CG 3.02Å; D254-H352 IonicContact OD2-ND1 2.94Å; D254-H352 PolarHBondContact OD2-ND1 2.66Å; P349-H352 PolarHBondContact O-CD2 2.91Å; P349-H352 VanDerWaalsContact O-CD2 3.28Å; P349-H352 PolarHBondContact O-NE2 2.81Å
353	V	98.6	Very high	94.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	121.6	175.2	-176.2	0	0	0	0	108.4	L223 W233 P251 F252 V253 D254 Y306	L223-V353 HydrophobicContact CD2-CG1 4.34Å; L223-V353 HydrophobicContact CD2-CG2 4.29Å; W233-V353 HydrophobicContact CE3-CG2 3.84Å; W233-V353 HydrophobicContact CZ3-CG2 4.35Å; P251-V353 HydrophobicContact CB-CG2 4.01Å; P251-V353 HydrophobicContact CG-CB 4.45Å; P251-V353 HydrophobicContact CG-CG2 3.94Å; F252-V353 PolarHBondContact O-N 3.36Å; V253-V353 CarbonylContact C-O 3.52Å; V253-V353 WeakPolarHBondContact CA-O 3.49Å; D254-V353 PolarHBondContact N-O 3.42Å; Y306-V353 HydrophobicContact CD1-CB 4.22Å; Y306-V353 HydrophobicContact CD1-CG1 3.95Å; Y306-V353 HydrophobicContact CE1-CB 4.37Å; Y306-V353 HydrophobicContact CE1-CG1 3.69Å
354	G	98.4	Very high	93.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	143.9	173.1	0	0	0	0	0	111.1	S227 E228 Y263	S227-G354 CarbonylContact C-O 3.58Å; S227-G354 WeakPolarHBondContact CA-O 3.32Å; S227-G354 WeakPolarHBondContact CB-O 3.48Å; E228-G354 PolarHBondContact N-O 2.76Å; E228-G354 PolarHBondContact O-N 2.74Å; Y263-G354 VanDerWaalsContact CE2-CA 3.47Å; Y263-G354 PolarHBondContact OH-N 3.05Å
355	H	98.4	Very high	92.4	Very high	22 Å²	22	37.4 Å²	37.4	10%	0.102	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.4	179.9	167.5	-113	0	0	0	110.9	H226 V253 D254 I256 Y306 Y357	H226-H355 AromaticContact CD2-CD2 3.42Å; H226-H355 PolarHBondContact CD2-CD2 2.89Å; H226-H355 VanDerWaalsContact CD2-CD2 3.42Å; H226-H355 AromaticContact CD2-NE2 3.38Å; H226-H355 PolarHBondContact CD2-NE2 2.75Å; H226-H355 AromaticContact NE2-CD2 3.78Å; H226-H355 AromaticContact NE2-NE2 3.32Å; H226-H355 PolarHBondContact NE2-NE2 2.71Å; V253-H355 HydrophobicContact CG1-CB 3.57Å; D254-H355 PolarHBondContact O-N 2.99Å; I256-H355 PolarHBondContact N-O 2.9Å; Y306-H355 HydrophobicContact CE2-CB 4.14Å; Y306-H355 AromaticContact CZ-CD2 3.88Å; Y306-H355 AromaticContact CZ-CG 3.99Å; Y306-H355 VanDerWaalsContact OH-CB 3.24Å; Y306-H355 WeakPolarHBondContact OH-CB 3.35Å; Y306-H355 PolarHBondContact OH-CD2 3.24Å; Y306-H355 VanDerWaalsContact OH-CG 3.25Å; H355-Y357 HydrophobicContact CB-CE2 4.39Å; H355-Y357 AromaticContact CE1-CD1 3.77Å; H355-Y357 AromaticContact CE1-CE1 3.92Å; H355-Y357 AromaticContact CE1-CG 3.97Å; H355-Y357 AromaticContact ND1-CD1 3.69Å; H355-Y357 AromaticContact ND1-CD2 3.49Å; H355-Y357 WeakPolarHBondContact ND1-CD2 3.43Å; H355-Y357 AromaticContact ND1-CE1 3.62Å; H355-Y357 AromaticContact ND1-CE2 3.45Å; H355-Y357 WeakPolarHBondContact ND1-CE2 3.5Å; H355-Y357 AromaticContact ND1-CG 3.64Å; H355-Y357 AromaticContact ND1-CZ 3.53Å; H355-Y357 PolarHBondContact O-N 3.14Å
356	I	98	Very high	91.5	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	103.3	173.3	-54.5	178.5	0	0	0	110.3	F98 V145 H226 I256 F261 R358	F98-I356 HydrophobicContact CB-CG2 4Å; F98-I356 HydrophobicContact CD1-CG2 3.93Å; F98-I356 HydrophobicContact CG-CG2 4.04Å; V145-I356 HydrophobicContact CG1-CD1 3.7Å; V145-I356 HydrophobicContact CG2-CD1 4.17Å; H226-I356 HydrophobicContact CB-CB 4.15Å; H226-I356 HydrophobicContact CB-CD1 3.96Å; H226-I356 HydrophobicContact CB-CG1 4.16Å; H226-I356 PolarHBondContact O-N 3.47Å; H226-I356 VanDerWaalsContact O-N 3.09Å; I256-I356 HydrophobicContact CB-CG1 3.83Å; I256-I356 HydrophobicContact CD1-CG1 4.19Å; I256-I356 HydrophobicContact CG2-CG1 3.79Å; F261-I356 HydrophobicContact CD1-CD1 4.36Å; F261-I356 HydrophobicContact CE1-CD1 3.49Å; F261-I356 VanDerWaalsContact CE1-CD1 3.49Å; F261-I356 HydrophobicContact CE1-CG1 4.48Å; F261-I356 HydrophobicContact CZ-CD1 3.66Å; I356-R358 PolarHBondContact O-N 2.96Å; I356-R358 VanDerWaalsContact O-N 3.1Å
357	Y	90.6	Very high	90.7	Very high	87 Å²	87	43.3 Å²	43.3	34%	0.341	25%	0.247	S	C	.	.			trans	-77.1	97.1	171.6	-74.7	-86.3	0	0	0	110.8	V255 Y258 Q266 H355	V255-Y357 HydrophobicContact CB-CD2 4.32Å; V255-Y357 HydrophobicContact CG1-CD2 4.14Å; V255-Y357 HydrophobicContact CG2-CD2 3.93Å; V255-Y357 HydrophobicContact CG2-CE2 3.84Å; Y258-Y357 WeakPolarHBondContact CB-O 3.19Å; Y258-Y357 VanDerWaalsContact CD1-O 3.3Å; Y258-Y357 WeakPolarHBondContact CD1-O 3.45Å; Q266-Y357 PolarHBondContact OE1-OH 2.77Å; H355-Y357 HydrophobicContact CB-CE2 4.39Å; H355-Y357 AromaticContact CE1-CD1 3.77Å; H355-Y357 AromaticContact CE1-CE1 3.92Å; H355-Y357 AromaticContact CE1-CG 3.97Å; H355-Y357 AromaticContact ND1-CD1 3.69Å; H355-Y357 AromaticContact ND1-CD2 3.49Å; H355-Y357 WeakPolarHBondContact ND1-CD2 3.43Å; H355-Y357 AromaticContact ND1-CE1 3.62Å; H355-Y357 AromaticContact ND1-CE2 3.45Å; H355-Y357 WeakPolarHBondContact ND1-CE2 3.5Å; H355-Y357 AromaticContact ND1-CG 3.64Å; H355-Y357 AromaticContact ND1-CZ 3.53Å; H355-Y357 PolarHBondContact O-N 3.14Å
358	R	91.5	Very high	89.9	Confident	57 Å²	57	44.8 Å²	44.8	22%	0.215	26%	0.256	C	S	.	.			trans	-55.2	145	-179.3	-48.9	-170.5	-178.6	-117.3	-5.5	112.1	N96 F98 E141 H226 I356 F360	N96-R358 PolarHBondContact O-NH1 3.08Å; F98-R358 HydrophobicContact CD1-CG 4.18Å; F98-R358 VanDerWaalsContact CE1-NH1 3.26Å; E141-R358 IonicContact OE1-CZ 2.76Å; E141-R358 IonicContact OE1-NH1 3.51Å; E141-R358 IonicContact OE1-NH2 3.79Å; E141-R358 PolarHBondContact OE1-NH2 3.32Å; E141-R358 IonicContact OE2-NH2 3.07Å; E141-R358 PolarHBondContact OE2-NH2 3.34Å; H226-R358 PolarHBondContact CE1-NH2 3.48Å; H226-R358 VanDerWaalsContact CE1-NH2 3.28Å; H226-R358 PolarHBondContact ND1-NH2 3.45Å; H226-R358 VanDerWaalsContact ND1-NH2 3.12Å; I356-R358 PolarHBondContact O-N 2.96Å; I356-R358 VanDerWaalsContact O-N 3.1Å; R358-F360 VanDerWaalsContact C-N 3.27Å; R358-F360 VanDerWaalsContact CB-O 3.3Å; R358-F360 WeakPolarHBondContact CB-O 3.5Å; R358-F360 PolarHBondContact O-N 2.88Å
359	K	91.3	Very high	89.4	Confident	123 Å²	123	47.5 Å²	47.5	54%	0.535	29%	0.285	S	S	.	.	S	Bend	trans	-65.5	-34.2	172.9	-174.1	57.3	162.3	-160.3	0	112.1	Y93 G97 Y258	Y93-K359 HydrophobicContact CE1-CB 4.46Å; Y93-K359 WeakPolarHBondContact OH-CB 3.38Å; G97-K359 PolarHBondContact O-N 2.91Å; Y258-K359 HydrophobicContact CD1-CB 4.37Å; Y258-K359 HydrophobicContact CD2-CB 4Å; Y258-K359 HydrophobicContact CE1-CB 4.38Å; Y258-K359 HydrophobicContact CE1-CD 3.94Å; Y258-K359 HydrophobicContact CE2-CB 4.06Å; Y258-K359 HydrophobicContact CE2-CD 4.14Å; Y258-K359 HydrophobicContact CE2-CG 4.31Å; Y258-K359 HydrophobicContact CG-CB 4.2Å; Y258-K359 PolarHBondContact OH-NZ 2.85Å
360	F	87.3	Confident	89.1	Confident	85 Å²	85	50.3 Å²	50.3	37%	0.373	30%	0.3	S	S	.	.	S	Bend	trans	-151.8	158.5	173.1	55.9	-91.7	0	0	0	109.3	Y93 R358 P362	Y93-F360 AromaticContact CD1-CE1 3.99Å; Y93-F360 HydrophobicContact CD1-CE1 3.99Å; Y93-F360 HydrophobicContact CD1-CZ 4.29Å; Y93-F360 AromaticContact CE1-CE1 3.77Å; Y93-F360 HydrophobicContact CE1-CE1 3.77Å; Y93-F360 HydrophobicContact CE1-CZ 4.49Å; Y93-F360 WeakPolarHBondContact O-CZ 3.44Å; R358-F360 VanDerWaalsContact C-N 3.27Å; R358-F360 VanDerWaalsContact CB-O 3.3Å; R358-F360 WeakPolarHBondContact CB-O 3.5Å; R358-F360 PolarHBondContact O-N 2.88Å; F360-P362 WeakPolarHBondContact O-CD 3.37Å
361	S	84.7	Confident	88.9	Confident	84 Å²	84	52.1 Å²	52.1	59%	0.587	31%	0.306	S	S	*	.			trans	-78.3	122.5	172.9	-178.3	0	0	0	0	109.8	I363	S361-I363 PolarHBondContact O-N 3.09Å; S361-I363 PolarHBondContact OG-N 3.28Å
362	P	83	Confident	88.7	Confident	44 Å²	44	53.6 Å²	53.6	29%	0.286	32%	0.315	S	S	.	.			trans	-78	-9.4	173	33.8	-36.8	0	0	0	112.6	Q95 F360 S364	Q95-P362 WeakPolarHBondContact O-CB 3.3Å; F360-P362 WeakPolarHBondContact O-CD 3.37Å; P362-S364 PolarHBondContact O-N 2.72Å
363	I	77.5	Confident	88.6	Confident	70 Å²	70	53.3 Å²	53.3	36%	0.359	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-83.9	117.4	-174.1	-56	175.6	0	0	0	109	S361	S361-I363 PolarHBondContact O-N 3.09Å; S361-I363 PolarHBondContact OG-N 3.28Å
364	S	75.4	Confident	88.5	Confident	93 Å²	93	56.5 Å²	56.5	65%	0.65	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-74.7	151.1	173.8	54	0	0	0	0	111.7	P362 P366	P362-S364 PolarHBondContact O-N 2.72Å; S364-P366 WeakPolarHBondContact O-CD 3.17Å
365	N	78.8	Confident	88.5	Confident	74 Å²	74	56.5 Å²	56.5	40%	0.396	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-62.7	122.5	167.1	-176.9	-22.6	0	0	0	107.8	G367 V368 G369 Y371	N365-G367 PolarHBondContact O-N 2.95Å; N365-G367 PolarHBondContact OD1-N 3.43Å; N365-V368 PolarHBondContact OD1-N 3Å; N365-G369 PolarHBondContact ND2-O 2.73Å; N365-Y371 HydrophobicContact CB-CE1 4.27Å; N365-Y371 WeakPolarHBondContact ND2-CE1 3.09Å
366	P	78.6	Confident	88.5	Confident	63 Å²	63	55.9 Å²	55.9	41%	0.409	32%	0.323	S	S	.	.			trans	-75	31.4	-178.3	33.3	-35	0	0	0	112.8	I326 S364 V368	I326-P366 HydrophobicContact CD1-CG 3.38Å; I326-P366 HydrophobicContact CG1-CG 4.04Å; S364-P366 WeakPolarHBondContact O-CD 3.17Å; P366-V368 HydrophobicContact CG-CG2 4.03Å
367	G	82.3	Confident	88.5	Confident	70 Å²	70	56.4 Å²	56.4	72%	0.722	33%	0.325	S	S	*	.	S	Bend	trans	82.8	13.7	-179.8	0	0	0	0	0	114.9	N365 G369	N365-G367 PolarHBondContact O-N 2.95Å; N365-G367 PolarHBondContact OD1-N 3.43Å; G367-G369 PolarHBondContact O-N 2.92Å
368	V	81.8	Confident	88.9	Confident	51 Å²	51	52.9 Å²	52.9	31%	0.309	31%	0.311	S	S	.	.			trans	-94.4	67.4	-176.6	-171	0	0	0	0	110.1	D325 I326 N365 P366 Y371	D325-V368 HydrophobicContact CB-CG1 4.37Å; D325-V368 WeakPolarHBondContact OD2-CG1 3.37Å; I326-V368 HydrophobicContact CD1-CB 4.04Å; I326-V368 HydrophobicContact CD1-CG2 4.14Å; N365-V368 PolarHBondContact OD1-N 3Å; P366-V368 HydrophobicContact CG-CG2 4.03Å; V368-Y371 WeakPolarHBondContact O-CB 3.43Å; V368-Y371 WeakPolarHBondContact O-CD1 3.27Å; V368-Y371 PolarHBondContact O-N 3.19Å
369	G	88.3	Confident	89.2	Confident	59 Å²	59	50.2 Å²	50.2	61%	0.608	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	31.2	-140.1	170.1	0	0	0	0	0	117.1	N365 G367 Y371	N365-G369 PolarHBondContact ND2-O 2.73Å; G367-G369 PolarHBondContact O-N 2.92Å; G369-Y371 VanDerWaalsContact C-N 3.33Å; G369-Y371 PolarHBondContact O-N 3.36Å
370	D	91.4	Very high	89.6	Confident	65 Å²	65	44.4 Å²	44.4	35%	0.348	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	70.5	166.8	179.7	17.6	0	0	0	110.1	V372 G373 R374 H397	D370-V372 VanDerWaalsContact C-N 3.27Å; D370-V372 PolarHBondContact O-N 3.42Å; D370-G373 PolarHBondContact O-N 2.8Å; D370-G373 PolarHBondContact OD1-N 2.74Å; D370-R374 PolarHBondContact O-N 2.62Å; D370-H397 IonicContact OD2-CD2 2.68Å; D370-H397 IonicContact OD2-NE2 3.53Å
371	Y	93.6	Very high	90.1	Very high	41 Å²	41	42.5 Å²	42.5	16%	0.161	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-33.6	178.9	66.3	-96.1	0	0	0	112.4	D325 I326 W327 N365 V368 G369 R374 N375	D325-Y371 WeakPolarHBondContact O-CD2 3.36Å; I326-Y371 HydrophobicContact CB-CD2 4.05Å; I326-Y371 HydrophobicContact CB-CE2 3.85Å; I326-Y371 HydrophobicContact CD1-CD1 3.63Å; I326-Y371 HydrophobicContact CD1-CD2 4.23Å; I326-Y371 HydrophobicContact CD1-CE1 3.75Å; I326-Y371 HydrophobicContact CD1-CE2 4.34Å; I326-Y371 HydrophobicContact CD1-CG 3.89Å; I326-Y371 HydrophobicContact CG2-CE2 4.13Å; W327-Y371 HydrophobicContact CB-CE2 4.26Å; W327-Y371 WeakPolarHBondContact O-CE2 3.32Å; N365-Y371 HydrophobicContact CB-CE1 4.27Å; N365-Y371 WeakPolarHBondContact ND2-CE1 3.09Å; V368-Y371 WeakPolarHBondContact O-CB 3.43Å; V368-Y371 WeakPolarHBondContact O-CD1 3.27Å; V368-Y371 PolarHBondContact O-N 3.19Å; G369-Y371 VanDerWaalsContact C-N 3.33Å; G369-Y371 PolarHBondContact O-N 3.36Å; Y371-R374 PolarHBondContact O-N 3.46Å; Y371-N375 WeakPolarHBondContact O-CB 3.42Å; Y371-N375 PolarHBondContact O-N 2.94Å; Y371-N375 PolarHBondContact O-OD1 3.06Å
372	V	94	Very high	90.8	Very high	30 Å²	30	38.6 Å²	38.6	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-49.6	179.5	179.9	0	0	0	0	110	W327 D370 R374 N375 Y376	W327-V372 HydrophobicContact CE3-CG2 4.25Å; W327-V372 HydrophobicContact CZ3-CG2 4.49Å; D370-V372 VanDerWaalsContact C-N 3.27Å; D370-V372 PolarHBondContact O-N 3.42Å; V372-R374 VanDerWaalsContact C-N 3.29Å; V372-R374 PolarHBondContact O-N 2.7Å; V372-N375 PolarHBondContact O-N 3.43Å; V372-Y376 HydrophobicContact CG1-CD1 4.31Å; V372-Y376 HydrophobicContact CG1-CD2 4.07Å; V372-Y376 HydrophobicContact CG1-CE1 3.9Å; V372-Y376 HydrophobicContact CG1-CE2 3.65Å; V372-Y376 HydrophobicContact CG1-CG 4.39Å; V372-Y376 WeakPolarHBondContact O-CB 2.8Å; V372-Y376 WeakPolarHBondContact O-CD1 3.28Å; V372-Y376 VanDerWaalsContact O-CG 3.24Å; V372-Y376 PolarHBondContact O-N 3.32Å
373	G	96.3	Very high	91.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-38.3	175	0	0	0	0	0	112.8	D370 K377 Y398 L401	D370-G373 PolarHBondContact O-N 2.8Å; D370-G373 PolarHBondContact OD1-N 2.74Å; G373-K377 WeakPolarHBondContact O-CB 3.42Å; G373-K377 PolarHBondContact O-N 3.38Å; G373-Y398 WeakPolarHBondContact CA-OH 3.42Å; G373-L401 VanDerWaalsContact C-CD1 3.43Å
374	R	97.5	Very high	92.6	Very high	66 Å²	66	33.2 Å²	33.2	25%	0.249	21%	0.21	C	C	.	.	H	α-helix	trans	-62.9	-49.1	174.5	-164.2	-173.8	93.2	-167.6	3.2	111.5	G323 D325 D370 Y371 V372 Y376 K377 R378 N402	G323-R374 PolarHBondContact O-NH2 3.08Å; D325-R374 IonicContact OD1-NH2 3.95Å; D325-R374 PolarHBondContact OD1-NH2 3.45Å; D325-R374 IonicContact OD2-CZ 3.2Å; D325-R374 IonicContact OD2-NE 3.57Å; D325-R374 IonicContact OD2-NH1 2.78Å; D325-R374 PolarHBondContact OD2-NH1 2.82Å; D325-R374 IonicContact OD2-NH2 3.88Å; D325-R374 PolarHBondContact OD2-NH2 3.14Å; D370-R374 PolarHBondContact O-N 2.62Å; Y371-R374 PolarHBondContact O-N 3.46Å; V372-R374 VanDerWaalsContact C-N 3.29Å; V372-R374 PolarHBondContact O-N 2.7Å; R374-Y376 PolarHBondContact O-N 3.04Å; R374-K377 WeakPolarHBondContact O-CB 3.34Å; R374-K377 PolarHBondContact O-N 3.28Å; R374-R378 WeakPolarHBondContact O-CG 3.31Å; R374-R378 PolarHBondContact O-N 3.12Å; R374-N402 WeakPolarHBondContact CD-O 3.44Å; R374-N402 WeakPolarHBondContact CG-O 3.47Å
375	N	98.1	Very high	93.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.4	-48.1	178.9	-71.3	-4.5	0	0	0	111.1	L324 D325 W327 G328 Y371 V372 K377 R378 V379	L324-N375 WeakPolarHBondContact CA-OD1 3.08Å; L324-N375 HydrophobicContact CD2-CB 3.75Å; D325-N375 PolarHBondContact N-ND2 3.09Å; D325-N375 PolarHBondContact N-OD1 3.37Å; D325-N375 PolarHBondContact O-ND2 3.3Å; W327-N375 PolarHBondContact O-ND2 3.06Å; G328-N375 WeakPolarHBondContact O-CB 2.99Å; G328-N375 PolarHBondContact O-ND2 3.4Å; Y371-N375 WeakPolarHBondContact O-CB 3.42Å; Y371-N375 PolarHBondContact O-N 2.94Å; Y371-N375 PolarHBondContact O-OD1 3.06Å; V372-N375 PolarHBondContact O-N 3.43Å; N375-K377 VanDerWaalsContact C-N 3.27Å; N375-K377 PolarHBondContact O-N 3.5Å; N375-R378 WeakPolarHBondContact O-CB 3.47Å; N375-R378 PolarHBondContact O-N 2.68Å; N375-R378 VanDerWaalsContact O-N 3.09Å; N375-V379 WeakPolarHBondContact O-CG2 3.43Å; N375-V379 PolarHBondContact O-N 3.26Å
376	Y	98.4	Very high	94.6	Very high	9 Å²	9	32.3 Å²	32.3	4%	0.035	20%	0.195	C	C	.	.	H	α-helix	trans	-57	-42.1	176.1	-74.9	4	0	0	0	111.7	F278 Y332 V372 R374 V379 A380 Y398	F278-Y376 HydrophobicContact CB-CD2 3.59Å; F278-Y376 HydrophobicContact CB-CE2 3.55Å; F278-Y376 HydrophobicContact CB-CG 4.11Å; F278-Y376 HydrophobicContact CD1-CD1 4.04Å; F278-Y376 AromaticContact CD1-CD2 3.95Å; F278-Y376 HydrophobicContact CD1-CD2 3.95Å; F278-Y376 AromaticContact CD1-CG 3.64Å; F278-Y376 HydrophobicContact CD1-CG 3.64Å; F278-Y376 HydrophobicContact CG-CD2 4.33Å; F278-Y376 HydrophobicContact CG-CG 4.42Å; F278-Y376 PolarHBondContact O-OH 2.97Å; Y332-Y376 HydrophobicContact CD2-CE1 4.46Å; Y332-Y376 HydrophobicContact CE2-CE1 4.19Å; V372-Y376 HydrophobicContact CG1-CD1 4.31Å; V372-Y376 HydrophobicContact CG1-CD2 4.07Å; V372-Y376 HydrophobicContact CG1-CE1 3.9Å; V372-Y376 HydrophobicContact CG1-CE2 3.65Å; V372-Y376 HydrophobicContact CG1-CG 4.39Å; V372-Y376 WeakPolarHBondContact O-CB 2.8Å; V372-Y376 WeakPolarHBondContact O-CD1 3.28Å; V372-Y376 VanDerWaalsContact O-CG 3.24Å; V372-Y376 PolarHBondContact O-N 3.32Å; R374-Y376 PolarHBondContact O-N 3.04Å; Y376-V379 PolarHBondContact O-N 2.98Å; Y376-A380 VanDerWaalsContact O-CB 3.24Å; Y376-A380 WeakPolarHBondContact O-CB 3.49Å; Y376-A380 PolarHBondContact O-N 2.84Å; Y376-Y398 HydrophobicContact CD2-CE2 4.11Å
377	K	98.3	Very high	95.5	Very high	13 Å²	13	31.2 Å²	31.2	6%	0.057	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-47	173.6	-172	176.2	-169.3	162.1	0	112.2	G373 R374 N375 V379 A380 E381 Y392 Y398 R399 L401 P403	G373-K377 WeakPolarHBondContact O-CB 3.42Å; G373-K377 PolarHBondContact O-N 3.38Å; R374-K377 WeakPolarHBondContact O-CB 3.34Å; R374-K377 PolarHBondContact O-N 3.28Å; N375-K377 VanDerWaalsContact C-N 3.27Å; N375-K377 PolarHBondContact O-N 3.5Å; K377-V379 VanDerWaalsContact C-N 3.3Å; K377-V379 PolarHBondContact O-N 3.21Å; K377-A380 PolarHBondContact O-N 3.1Å; K377-E381 WeakPolarHBondContact CE-OE1 3.47Å; K377-E381 HydrophobicContact CG-CG 3.87Å; K377-E381 WeakPolarHBondContact O-CB 3.36Å; K377-E381 VanDerWaalsContact O-CG 3.22Å; K377-E381 WeakPolarHBondContact O-CG 3.44Å; K377-E381 PolarHBondContact O-N 3.02Å; K377-Y392 HydrophobicContact CG-CE1 4.39Å; K377-Y398 VanDerWaalsContact CD-O 3.29Å; K377-Y398 WeakPolarHBondContact CD-O 3.5Å; K377-Y398 WeakPolarHBondContact CE-O 3.41Å; K377-Y398 PolarHBondContact NZ-O 3.41Å; K377-R399 PolarHBondContact NZ-O 2.86Å; K377-L401 HydrophobicContact CD-CB 4.15Å; K377-L401 VanDerWaalsContact CD-O 3.29Å; K377-L401 WeakPolarHBondContact CD-O 3.3Å; K377-L401 WeakPolarHBondContact CE-O 3.32Å; K377-L401 PolarHBondContact NZ-O 3.29Å; K377-P403 HydrophobicContact CD-CB 4.19Å; K377-P403 HydrophobicContact CD-CG 4.32Å; K377-P403 HydrophobicContact CG-CB 4.22Å
378	R	98.6	Very high	96.3	Very high	13 Å²	13	30.2 Å²	30.2	5%	0.049	16%	0.158	C	C	.	.	H	α-helix	trans	-55.1	-47.1	178.1	-68.2	-177.3	63.8	80.4	0.5	111.3	D321 G323 L324 R374 N375 V382 P403 D405 L406	D321-R378 VanDerWaalsContact CG-NH2 3.25Å; D321-R378 IonicContact OD1-CZ 3.99Å; D321-R378 IonicContact OD1-NE 3.01Å; D321-R378 IonicContact OD1-NH2 2.71Å; D321-R378 PolarHBondContact OD1-NH2 3.33Å; D321-R378 IonicContact OD2-CZ 2.69Å; D321-R378 IonicContact OD2-NE 3.89Å; D321-R378 PolarHBondContact OD2-NE 2.87Å; D321-R378 IonicContact OD2-NH2 2.75Å; D321-R378 PolarHBondContact OD2-NH2 3.33Å; G323-R378 WeakPolarHBondContact O-CD 3.45Å; L324-R378 HydrophobicContact CD2-CB 4.15Å; R374-R378 WeakPolarHBondContact O-CG 3.31Å; R374-R378 PolarHBondContact O-N 3.12Å; N375-R378 WeakPolarHBondContact O-CB 3.47Å; N375-R378 PolarHBondContact O-N 2.68Å; N375-R378 VanDerWaalsContact O-N 3.09Å; R378-V382 WeakPolarHBondContact O-CG2 3.15Å; R378-V382 PolarHBondContact O-N 2.56Å; R378-P403 VanDerWaalsContact CD-O 3.28Å; R378-P403 WeakPolarHBondContact CD-O 3.15Å; R378-P403 HydrophobicContact CG-CB 3.86Å; R378-P403 VanDerWaalsContact CG-O 3.24Å; R378-P403 WeakPolarHBondContact CG-O 3.42Å; R378-P403 PolarHBondContact NH1-O 2.73Å; R378-D405 PolarHBondContact NH1-O 3.1Å; R378-D405 PolarHBondContact NH2-O 3.35Å; R378-D405 VanDerWaalsContact NH2-O 3.17Å; R378-L406 HydrophobicContact CB-CD2 3.99Å; R378-L406 HydrophobicContact CG-CD2 3.97Å
379	V	98.8	Very high	97.1	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-63.7	-46.5	177.3	179.3	0	0	0	0	111.2	L324 E333 F336 N375 Y376 K377 V382 W383	L324-V379 HydrophobicContact CD2-CG2 4.1Å; E333-V379 HydrophobicContact CB-CG1 4.4Å; E333-V379 HydrophobicContact CB-CG2 3.94Å; E333-V379 HydrophobicContact CG-CG2 4.43Å; F336-V379 HydrophobicContact CD2-CG1 3.9Å; F336-V379 HydrophobicContact CE2-CG1 3.9Å; N375-V379 WeakPolarHBondContact O-CG2 3.43Å; N375-V379 PolarHBondContact O-N 3.26Å; Y376-V379 PolarHBondContact O-N 2.98Å; K377-V379 VanDerWaalsContact C-N 3.3Å; K377-V379 PolarHBondContact O-N 3.21Å; V379-V382 PolarHBondContact O-N 2.75Å; V379-W383 WeakPolarHBondContact O-CB 3.35Å; V379-W383 PolarHBondContact O-N 2.89Å
380	A	98.7	Very high	97.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.7	-44.6	-177.6	0	0	0	0	0	112.8	F278 Y376 K377 V382 M384 K388 L391	F278-A380 HydrophobicContact CE1-CB 4.37Å; Y376-A380 VanDerWaalsContact O-CB 3.24Å; Y376-A380 WeakPolarHBondContact O-CB 3.49Å; Y376-A380 PolarHBondContact O-N 2.84Å; K377-A380 PolarHBondContact O-N 3.1Å; A380-V382 VanDerWaalsContact C-N 3.32Å; A380-V382 PolarHBondContact O-N 3.27Å; A380-M384 VanDerWaalsContact CA-SD 3.6Å; A380-M384 HydrophobicContact CB-CG 4.35Å; A380-M384 HydrophobicContact CB-SD 3.55Å; A380-M384 VanDerWaalsContact CB-SD 3.55Å; A380-M384 WeakPolarHBondContact O-CB 3.38Å; A380-M384 PolarHBondContact O-N 3.04Å; A380-M384 VanDerWaalsContact O-N 3.12Å; A380-K388 HydrophobicContact CB-CB 3.84Å; A380-L391 HydrophobicContact CB-CD2 3.97Å
381	E	98.6	Very high	97.7	Very high	46 Å²	46	28.3 Å²	28.3	22%	0.215	13%	0.126	C	C	.	.	H	α-helix	trans	-62.8	-38.5	179.6	-69.1	-70.8	-177.8	0	0	112.1	K377 K388 Y392 L406 H410	K377-E381 WeakPolarHBondContact CE-OE1 3.47Å; K377-E381 HydrophobicContact CG-CG 3.87Å; K377-E381 WeakPolarHBondContact O-CB 3.36Å; K377-E381 VanDerWaalsContact O-CG 3.22Å; K377-E381 WeakPolarHBondContact O-CG 3.44Å; K377-E381 PolarHBondContact O-N 3.02Å; E381-K388 IonicContact OE2-NZ 2.96Å; E381-K388 PolarHBondContact OE2-NZ 3.01Å; E381-Y392 VanDerWaalsContact CD-OH 3.31Å; E381-Y392 PolarHBondContact OE1-OH 3.23Å; E381-L406 HydrophobicContact CB-CD1 3.58Å; E381-L406 HydrophobicContact CG-CD1 4.13Å; E381-H410 PolarHBondContact O-CE1 3.04Å
382	V	98.8	Very high	97.9	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-84	-39.9	-176.5	179.6	0	0	0	0	112.4	R378 V379 A380 L406 Q409 R413	R378-V382 WeakPolarHBondContact O-CG2 3.15Å; R378-V382 PolarHBondContact O-N 2.56Å; V379-V382 PolarHBondContact O-N 2.75Å; A380-V382 VanDerWaalsContact C-N 3.32Å; A380-V382 PolarHBondContact O-N 3.27Å; V382-L406 HydrophobicContact CG2-CB 4.31Å; V382-L406 HydrophobicContact CG2-CD1 4.32Å; V382-L406 HydrophobicContact CG2-CD2 3.92Å; V382-L406 HydrophobicContact CG2-CG 4.43Å; V382-Q409 HydrophobicContact CB-CB 4.46Å; V382-Q409 HydrophobicContact CG1-CB 3.92Å; V382-Q409 HydrophobicContact CG2-CB 3.73Å; V382-R413 WeakPolarHBondContact O-CD 3.3Å; V382-R413 PolarHBondContact O-NH1 3.12Å
383	W	98.8	Very high	97.9	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-116.8	-14	-162.5	-60.5	102	0	0	0	115.6	F336 K337 Q340 V379 R413 F421	F336-W383 HydrophobicContact CB-CB 4.16Å; F336-W383 HydrophobicContact CB-CG 4.42Å; F336-W383 HydrophobicContact CD2-CB 3.86Å; F336-W383 HydrophobicContact CG-CB 4.45Å; K337-W383 HydrophobicContact CD-CH2 4.28Å; K337-W383 HydrophobicContact CD-CZ2 3.98Å; K337-W383 HydrophobicContact CG-CD2 4.39Å; K337-W383 HydrophobicContact CG-CE3 4.33Å; K337-W383 HydrophobicContact CG-CH2 3.4Å; K337-W383 HydrophobicContact CG-CZ2 3.43Å; K337-W383 VanDerWaalsContact CG-CZ2 3.43Å; K337-W383 HydrophobicContact CG-CZ3 3.85Å; Q340-W383 PolarHBondContact NE2-O 3.38Å; V379-W383 WeakPolarHBondContact O-CB 3.35Å; V379-W383 PolarHBondContact O-N 2.89Å; W383-R413 HydrophobicContact CE3-CG 4.06Å; W383-R413 HydrophobicContact CH2-CB 3.72Å; W383-R413 HydrophobicContact CH2-CG 3.99Å; W383-R413 HydrophobicContact CZ2-CB 4.37Å; W383-R413 HydrophobicContact CZ3-CB 3.85Å; W383-R413 HydrophobicContact CZ3-CG 3.56Å; W383-F421 WeakPolarHBondContact O-CB 3.08Å; W383-F421 WeakPolarHBondContact O-CD2 3.31Å
384	M	98.8	Very high	97.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.148	C	C	.	.			trans	-103.2	-1.4	-172.2	-63.9	179.7	81.3	0	0	115.5	W276 F278 F336 A380 E386 Y387 K388 F421	W276-M384 HydrophobicContact CE3-CE 4.25Å; W276-M384 HydrophobicContact CH2-CE 4.45Å; W276-M384 HydrophobicContact CZ3-CE 3.57Å; F278-M384 HydrophobicContact CE1-SD 3.91Å; F278-M384 HydrophobicContact CE2-CE 3.62Å; F278-M384 HydrophobicContact CE2-SD 3.58Å; F278-M384 VanDerWaalsContact CE2-SD 3.58Å; F278-M384 HydrophobicContact CZ-CE 3.81Å; F278-M384 HydrophobicContact CZ-CG 4.27Å; F278-M384 HydrophobicContact CZ-SD 3.08Å; F278-M384 WeakPolarHBondContact CZ-SD 3.48Å; F336-M384 HydrophobicContact CE2-CG 4.14Å; A380-M384 VanDerWaalsContact CA-SD 3.6Å; A380-M384 HydrophobicContact CB-CG 4.35Å; A380-M384 HydrophobicContact CB-SD 3.55Å; A380-M384 VanDerWaalsContact CB-SD 3.55Å; A380-M384 WeakPolarHBondContact O-CB 3.38Å; A380-M384 PolarHBondContact O-N 3.04Å; A380-M384 VanDerWaalsContact O-N 3.12Å; M384-E386 PolarHBondContact O-N 3.18Å; M384-Y387 VanDerWaalsContact O-CB 3.31Å; M384-Y387 WeakPolarHBondContact O-CB 3.44Å; M384-Y387 PolarHBondContact O-N 3.04Å; M384-K388 HydrophobicContact CB-CB 4.27Å; M384-F421 HydrophobicContact CB-CD1 4.33Å; M384-F421 HydrophobicContact CB-CD2 4.44Å; M384-F421 HydrophobicContact CB-CE1 4.42Å; M384-F421 HydrophobicContact CB-CG 4.32Å; M384-F421 HydrophobicContact CE-CE1 4.11Å; M384-F421 HydrophobicContact CE-CZ 4.05Å; M384-F421 HydrophobicContact CG-CD2 4.31Å; M384-F421 HydrophobicContact CG-CE1 4.35Å; M384-F421 HydrophobicContact CG-CE2 3.98Å; M384-F421 HydrophobicContact CG-CZ 4Å
385	D	98.7	Very high	97.4	Very high	41 Å²	41	32.8 Å²	32.8	22%	0.219	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	49.6	-131.1	-178.3	-56.1	-32.3	0	0	0	111.6	Y387 K388 R413 S420 F421	D385-Y387 PolarHBondContact O-N 3.21Å; D385-K388 WeakPolarHBondContact O-CD 3.47Å; D385-K388 VanDerWaalsContact O-CG 3.24Å; D385-K388 WeakPolarHBondContact O-CG 3.36Å; D385-R413 VanDerWaalsContact CG-NH2 3.32Å; D385-R413 IonicContact OD1-CZ 3.05Å; D385-R413 VanDerWaalsContact OD1-CZ 3.24Å; D385-R413 IonicContact OD1-NH1 2.73Å; D385-R413 PolarHBondContact OD1-NH1 2.77Å; D385-R413 IonicContact OD1-NH2 3.69Å; D385-R413 PolarHBondContact OD1-NH2 3Å; D385-R413 IonicContact OD2-CZ 3.59Å; D385-R413 IonicContact OD2-NH2 3.63Å; D385-R413 PolarHBondContact OD2-NH2 3.3Å; D385-S420 WeakPolarHBondContact OD2-CA 3.38Å; D385-F421 HydrophobicContact CB-CB 4.25Å; D385-F421 WeakPolarHBondContact OD2-CB 3.43Å; D385-F421 PolarHBondContact OD2-N 2.91Å
386	E	98.3	Very high	97.3	Very high	107 Å²	107	36.6 Å²	36.6	50%	0.5	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-65.9	-20.1	176.8	65.2	-88	-157.3	0	0	114.1	M384 K388 E389	M384-E386 PolarHBondContact O-N 3.18Å; E386-K388 PolarHBondContact O-N 3.22Å; E386-E389 WeakPolarHBondContact O-CB 3.29Å; E386-E389 PolarHBondContact O-N 3.21Å
387	Y	98.5	Very high	97.1	Very high	40 Å²	40	40.6 Å²	40.6	16%	0.157	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-73	-14.7	-176	-70.4	-102.9	0	0	0	113.2	W276 M384 D385 E389 Y390 F421 K422 M425	W276-Y387 AromaticContact CH2-CD1 3.47Å; W276-Y387 HydrophobicContact CH2-CD1 3.47Å; W276-Y387 VanDerWaalsContact CH2-CD1 3.47Å; W276-Y387 HydrophobicContact CH2-CE1 4.39Å; W276-Y387 HydrophobicContact CH2-CG 4.16Å; W276-Y387 HydrophobicContact CZ2-CD1 4.17Å; W276-Y387 HydrophobicContact CZ3-CD1 4.24Å; M384-Y387 VanDerWaalsContact O-CB 3.31Å; M384-Y387 WeakPolarHBondContact O-CB 3.44Å; M384-Y387 PolarHBondContact O-N 3.04Å; D385-Y387 PolarHBondContact O-N 3.21Å; Y387-E389 PolarHBondContact O-N 2.9Å; Y387-E389 VanDerWaalsContact O-N 3.17Å; Y387-Y390 AromaticContact CD1-CD2 3.8Å; Y387-Y390 HydrophobicContact CD1-CD2 3.8Å; Y387-Y390 AromaticContact CD1-CE2 3.59Å; Y387-Y390 HydrophobicContact CD1-CE2 3.59Å; Y387-Y390 HydrophobicContact CE1-CE2 4.17Å; Y387-Y390 HydrophobicContact CG-CD2 4.26Å; Y387-Y390 HydrophobicContact CG-CE2 4.16Å; Y387-Y390 WeakPolarHBondContact O-CD2 3.29Å; Y387-Y390 PolarHBondContact O-N 2.8Å; Y387-Y390 VanDerWaalsContact O-N 3.1Å; Y387-F421 HydrophobicContact CD1-CD1 4.38Å; Y387-F421 HydrophobicContact CD1-CE1 4.41Å; Y387-F421 AromaticContact CD2-CD1 3.63Å; Y387-F421 HydrophobicContact CD2-CD1 3.63Å; Y387-F421 HydrophobicContact CD2-CE1 4.42Å; Y387-F421 HydrophobicContact CE2-CD1 4.33Å; Y387-F421 AromaticContact CG-CD1 3.64Å; Y387-F421 HydrophobicContact CG-CD1 3.64Å; Y387-F421 AromaticContact CG-CE1 3.98Å; Y387-F421 HydrophobicContact CG-CE1 3.98Å; Y387-K422 HydrophobicContact CE2-CB 4.07Å; Y387-M425 HydrophobicContact CD1-CG 4.27Å; Y387-M425 HydrophobicContact CE1-CB 4.41Å; Y387-M425 HydrophobicContact CE1-CG 3.88Å; Y387-M425 HydrophobicContact CE2-CG 4.46Å
388	K	98.2	Very high	97	Very high	48 Å²	48	40.6 Å²	40.6	21%	0.209	19%	0.189	C	C	.	.	H	α-helix	trans	-56.5	-27.9	171.7	69.3	-169.3	174.6	-177.5	0	112.6	A380 E381 M384 D385 E386 Y390 L391 Y392	A380-K388 HydrophobicContact CB-CB 3.84Å; E381-K388 IonicContact OE2-NZ 2.96Å; E381-K388 PolarHBondContact OE2-NZ 3.01Å; M384-K388 HydrophobicContact CB-CB 4.27Å; D385-K388 WeakPolarHBondContact O-CD 3.47Å; D385-K388 VanDerWaalsContact O-CG 3.24Å; D385-K388 WeakPolarHBondContact O-CG 3.36Å; E386-K388 PolarHBondContact O-N 3.22Å; K388-Y390 PolarHBondContact O-N 2.89Å; K388-L391 WeakPolarHBondContact O-CB 3.39Å; K388-L391 PolarHBondContact O-N 3.36Å; K388-L391 VanDerWaalsContact O-N 3.1Å; K388-Y392 HydrophobicContact CB-CE2 3.94Å; K388-Y392 HydrophobicContact CD-CE2 4.02Å; K388-Y392 HydrophobicContact CG-CD2 4.37Å; K388-Y392 HydrophobicContact CG-CE2 3.68Å; K388-Y392 WeakPolarHBondContact O-CD2 3.45Å; K388-Y392 PolarHBondContact O-N 2.89Å; K388-Y392 VanDerWaalsContact O-N 3.09Å
389	E	97.9	Very high	96.9	Very high	72 Å²	72	45.1 Å²	45.1	34%	0.336	21%	0.206	S	C	.	.	H	α-helix	trans	-61.1	-34.1	177.9	-67.8	-57.2	131.6	0	0	112.4	E386 Y387 L391 Y392 M393 R399	E386-E389 WeakPolarHBondContact O-CB 3.29Å; E386-E389 PolarHBondContact O-N 3.21Å; Y387-E389 PolarHBondContact O-N 2.9Å; Y387-E389 VanDerWaalsContact O-N 3.17Å; E389-L391 VanDerWaalsContact C-N 3.3Å; E389-L391 PolarHBondContact O-N 3.14Å; E389-Y392 PolarHBondContact O-N 3.23Å; E389-M393 VanDerWaalsContact O-CG 3.27Å; E389-M393 WeakPolarHBondContact O-CG 3.32Å; E389-M393 PolarHBondContact O-N 2.82Å; E389-R399 IonicContact OE1-NH1 3.4Å; E389-R399 PolarHBondContact OE1-NH1 2.71Å; E389-R399 IonicContact OE2-CZ 3.12Å; E389-R399 IonicContact OE2-NH1 3.75Å; E389-R399 PolarHBondContact OE2-NH1 3.25Å; E389-R399 IonicContact OE2-NH2 2.65Å; E389-R399 PolarHBondContact OE2-NH2 3.5Å
390	Y	97	Very high	96.8	Very high	64 Å²	64	52.1 Å²	52.1	25%	0.251	24%	0.243	S	C	.	.	H	α-helix	trans	-69.4	-28.2	177.8	-59.6	-58.3	0	0	0	113.3	W276 Y387 K388 M393 R394 A438 I439	W276-Y390 VanDerWaalsContact CE3-CB 3.43Å; W276-Y390 HydrophobicContact CE3-CD2 4.29Å; W276-Y390 HydrophobicContact CE3-CG 4.29Å; W276-Y390 HydrophobicContact CH2-CD2 4.13Å; W276-Y390 AromaticContact CZ3-CD2 3.98Å; W276-Y390 HydrophobicContact CZ3-CD2 3.98Å; W276-Y390 HydrophobicContact CZ3-CG 4.44Å; Y387-Y390 AromaticContact CD1-CD2 3.8Å; Y387-Y390 HydrophobicContact CD1-CD2 3.8Å; Y387-Y390 AromaticContact CD1-CE2 3.59Å; Y387-Y390 HydrophobicContact CD1-CE2 3.59Å; Y387-Y390 HydrophobicContact CE1-CE2 4.17Å; Y387-Y390 HydrophobicContact CG-CD2 4.26Å; Y387-Y390 HydrophobicContact CG-CE2 4.16Å; Y387-Y390 WeakPolarHBondContact O-CD2 3.29Å; Y387-Y390 PolarHBondContact O-N 2.8Å; Y387-Y390 VanDerWaalsContact O-N 3.1Å; K388-Y390 PolarHBondContact O-N 2.89Å; Y390-M393 HydrophobicContact CD1-SD 4.13Å; Y390-R394 PolarHBondContact O-NH1 3.22Å; Y390-A438 HydrophobicContact CD1-CB 3.73Å; Y390-A438 HydrophobicContact CD2-CB 3.71Å; Y390-A438 HydrophobicContact CE1-CB 3.79Å; Y390-A438 HydrophobicContact CE2-CB 3.79Å; Y390-A438 HydrophobicContact CG-CB 3.68Å; Y390-I439 HydrophobicContact CD1-CG1 4.32Å; Y390-I439 HydrophobicContact CE1-CD1 4.15Å; Y390-I439 HydrophobicContact CE1-CG1 3.87Å
391	L	96.6	Very high	96.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-69.5	-48.7	169.7	176.5	63.7	0	0	0	110	W276 F278 A380 K388 E389 M393 R394 R395 Y398	W276-L391 WeakPolarHBondContact O-CA 3.27Å; W276-L391 WeakPolarHBondContact O-CD1 3.18Å; F278-L391 HydrophobicContact CB-CD1 4.09Å; F278-L391 HydrophobicContact CD1-CD1 4.28Å; F278-L391 HydrophobicContact CD1-CD2 3.63Å; F278-L391 HydrophobicContact CE1-CD2 3.82Å; F278-L391 HydrophobicContact CG-CD1 4.07Å; F278-L391 HydrophobicContact CG-CD2 4.19Å; A380-L391 HydrophobicContact CB-CD2 3.97Å; K388-L391 WeakPolarHBondContact O-CB 3.39Å; K388-L391 PolarHBondContact O-N 3.36Å; K388-L391 VanDerWaalsContact O-N 3.1Å; E389-L391 VanDerWaalsContact C-N 3.3Å; E389-L391 PolarHBondContact O-N 3.14Å; L391-M393 VanDerWaalsContact C-N 3.29Å; L391-M393 PolarHBondContact O-N 3.34Å; L391-R394 PolarHBondContact O-N 3.41Å; L391-R395 PolarHBondContact O-N 3.2Å; L391-Y398 HydrophobicContact CD1-CD2 4.32Å; L391-Y398 HydrophobicContact CD1-CE2 4.17Å; L391-Y398 HydrophobicContact CD2-CD2 4.18Å; L391-Y398 HydrophobicContact CD2-CE2 4.48Å; L391-Y398 HydrophobicContact CG-CD2 4.07Å; L391-Y398 HydrophobicContact CG-CE2 4.4Å
392	Y	97	Very high	96.6	Very high	5 Å²	5	58 Å²	58	2%	0.02	28%	0.275	C	S	.	.	H	α-helix	trans	-65.9	-29.4	-179.8	-56.4	-27	0	0	0	113.3	K377 E381 K388 E389 R394 R395 P396 R399	K377-Y392 HydrophobicContact CG-CE1 4.39Å; E381-Y392 VanDerWaalsContact CD-OH 3.31Å; E381-Y392 PolarHBondContact OE1-OH 3.23Å; K388-Y392 HydrophobicContact CB-CE2 3.94Å; K388-Y392 HydrophobicContact CD-CE2 4.02Å; K388-Y392 HydrophobicContact CG-CD2 4.37Å; K388-Y392 HydrophobicContact CG-CE2 3.68Å; K388-Y392 WeakPolarHBondContact O-CD2 3.45Å; K388-Y392 PolarHBondContact O-N 2.89Å; K388-Y392 VanDerWaalsContact O-N 3.09Å; E389-Y392 PolarHBondContact O-N 3.23Å; Y392-R394 VanDerWaalsContact C-N 3.28Å; Y392-R394 PolarHBondContact O-N 2.84Å; Y392-R395 CarbonylContact O-C 3.52Å; Y392-R395 VanDerWaalsContact O-C 3.26Å; Y392-P396 WeakPolarHBondContact O-CA 3.32Å; Y392-P396 VanDerWaalsContact O-N 3.13Å; Y392-R399 VanDerWaalsContact CB-CZ 3.46Å; Y392-R399 HydrophobicContact CD2-CG 4.34Å; Y392-R399 HydrophobicContact CG-CG 4.05Å
393	M	94.3	Very high	96.5	Very high	112 Å²	112	58.9 Å²	58.9	55%	0.552	28%	0.282	S	S	*	.	H	α-helix	trans	-61.9	-35	171.8	-76.4	176.4	72.6	0	0	112.5	E389 Y390 L391	E389-M393 VanDerWaalsContact O-CG 3.27Å; E389-M393 WeakPolarHBondContact O-CG 3.32Å; E389-M393 PolarHBondContact O-N 2.82Å; Y390-M393 HydrophobicContact CD1-SD 4.13Å; L391-M393 VanDerWaalsContact C-N 3.29Å; L391-M393 PolarHBondContact O-N 3.34Å
394	R	90.5	Very high	96.4	Very high	60 Å²	60	60.6 Å²	60.6	23%	0.226	30%	0.3	C	S	.	.	H	α-helix	trans	-92	-25.4	-179.7	-70.3	174.5	173.5	77.4	-4.4	113.6	W276 E277 Y390 L391 Y392 P437 A438	W276-R394 VanDerWaalsContact C-CD 3.5Å; W276-R394 WeakPolarHBondContact O-CD 3.3Å; E277-R394 HydrophobicContact CG-CB 3.92Å; E277-R394 HydrophobicContact CG-CG 4.44Å; Y390-R394 PolarHBondContact O-NH1 3.22Å; L391-R394 PolarHBondContact O-N 3.41Å; Y392-R394 VanDerWaalsContact C-N 3.28Å; Y392-R394 PolarHBondContact O-N 2.84Å; R394-P437 PolarHBondContact NH2-O 3.23Å; R394-A438 PolarHBondContact NH1-O 2.76Å; R394-A438 PolarHBondContact NH2-O 3.44Å
395	R	92.6	Very high	96.4	Very high	54 Å²	54	66.3 Å²	66.3	20%	0.204	33%	0.33	C	S	.	.	S	Bend	trans	-125.2	73.3	173.8	-66.6	-74.9	-178.2	-101.9	-1.3	110.1	E277 Y279 L391 Y392 H397 Y398	E277-R395 VanDerWaalsContact CD-NH2 3.34Å; E277-R395 IonicContact OE1-CZ 3.63Å; E277-R395 IonicContact OE1-NH1 2.87Å; E277-R395 PolarHBondContact OE1-NH1 3.05Å; E277-R395 IonicContact OE1-NH2 3.89Å; E277-R395 PolarHBondContact OE1-NH2 3.48Å; E277-R395 IonicContact OE2-NH2 2.63Å; Y279-R395 PolarHBondContact OH-NH2 3.39Å; L391-R395 PolarHBondContact O-N 3.2Å; Y392-R395 CarbonylContact O-C 3.52Å; Y392-R395 VanDerWaalsContact O-C 3.26Å; R395-H397 PolarHBondContact O-N 3.49Å; R395-H397 VanDerWaalsContact O-N 3.13Å; R395-Y398 HydrophobicContact CB-CD1 4.07Å; R395-Y398 HydrophobicContact CB-CD2 3.54Å; R395-Y398 HydrophobicContact CB-CE1 4.19Å; R395-Y398 HydrophobicContact CB-CE2 3.65Å; R395-Y398 HydrophobicContact CB-CG 3.76Å; R395-Y398 HydrophobicContact CG-CD2 4.23Å; R395-Y398 HydrophobicContact CG-CE2 3.8Å; R395-Y398 WeakPolarHBondContact O-CB 3.5Å; R395-Y398 PolarHBondContact O-N 3.42Å
396	P	94.9	Very high	96.4	Very high	79 Å²	79	65.3 Å²	65.3	51%	0.513	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-56.8	-33.1	-174.3	-28.6	36.5	0	0	0	114.9	Y392 Y398 R399	Y392-P396 WeakPolarHBondContact O-CA 3.32Å; Y392-P396 VanDerWaalsContact O-N 3.13Å; P396-Y398 PolarHBondContact O-N 3.3Å; P396-R399 WeakPolarHBondContact O-CB 3.42Å; P396-R399 PolarHBondContact O-N 3.07Å; P396-R399 VanDerWaalsContact O-N 3.14Å
397	H	94.9	Very high	96.4	Very high	94 Å²	94	63.8 Å²	63.8	44%	0.435	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-62.8	-22.4	178.1	62.7	-81.9	0	0	0	113.2	D370 R395 R399 N400 L401	D370-H397 IonicContact OD2-CD2 2.68Å; D370-H397 IonicContact OD2-NE2 3.53Å; R395-H397 PolarHBondContact O-N 3.49Å; R395-H397 VanDerWaalsContact O-N 3.13Å; H397-R399 PolarHBondContact O-N 2.87Å; H397-N400 PolarHBondContact O-N 3.31Å; H397-L401 PolarHBondContact O-N 3.35Å
398	Y	96.5	Very high	96.3	Very high	13 Å²	13	68 Å²	68	5%	0.051	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-62.8	-25.7	175.7	-70	-0.2	0	0	0	112.6	G373 Y376 K377 L391 R395 P396 N400 L401	G373-Y398 WeakPolarHBondContact CA-OH 3.42Å; Y376-Y398 HydrophobicContact CD2-CE2 4.11Å; K377-Y398 VanDerWaalsContact CD-O 3.29Å; K377-Y398 WeakPolarHBondContact CD-O 3.5Å; K377-Y398 WeakPolarHBondContact CE-O 3.41Å; K377-Y398 PolarHBondContact NZ-O 3.41Å; L391-Y398 HydrophobicContact CD1-CD2 4.32Å; L391-Y398 HydrophobicContact CD1-CE2 4.17Å; L391-Y398 HydrophobicContact CD2-CD2 4.18Å; L391-Y398 HydrophobicContact CD2-CE2 4.48Å; L391-Y398 HydrophobicContact CG-CD2 4.07Å; L391-Y398 HydrophobicContact CG-CE2 4.4Å; R395-Y398 HydrophobicContact CB-CD1 4.07Å; R395-Y398 HydrophobicContact CB-CD2 3.54Å; R395-Y398 HydrophobicContact CB-CE1 4.19Å; R395-Y398 HydrophobicContact CB-CE2 3.65Å; R395-Y398 HydrophobicContact CB-CG 3.76Å; R395-Y398 HydrophobicContact CG-CD2 4.23Å; R395-Y398 HydrophobicContact CG-CE2 3.8Å; R395-Y398 WeakPolarHBondContact O-CB 3.5Å; R395-Y398 PolarHBondContact O-N 3.42Å; P396-Y398 PolarHBondContact O-N 3.3Å; Y398-N400 PolarHBondContact O-N 3.26Å; Y398-L401 HydrophobicContact CD1-CD1 3.5Å; Y398-L401 VanDerWaalsContact CD1-CD1 3.5Å; Y398-L401 HydrophobicContact CD1-CG 4.46Å; Y398-L401 HydrophobicContact CE1-CD1 4.04Å; Y398-L401 HydrophobicContact CG-CD1 4.2Å; Y398-L401 PolarHBondContact O-N 2.97Å
399	R	96.6	Very high	96.4	Very high	108 Å²	108	66.1 Å²	66.1	41%	0.408	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-58	-33.3	174	-64.7	-171	-178.1	-79	0.8	112.3	K377 E389 Y392 P396 H397	K377-R399 PolarHBondContact NZ-O 2.86Å; E389-R399 IonicContact OE1-NH1 3.4Å; E389-R399 PolarHBondContact OE1-NH1 2.71Å; E389-R399 IonicContact OE2-CZ 3.12Å; E389-R399 IonicContact OE2-NH1 3.75Å; E389-R399 PolarHBondContact OE2-NH1 3.25Å; E389-R399 IonicContact OE2-NH2 2.65Å; E389-R399 PolarHBondContact OE2-NH2 3.5Å; Y392-R399 VanDerWaalsContact CB-CZ 3.46Å; Y392-R399 HydrophobicContact CD2-CG 4.34Å; Y392-R399 HydrophobicContact CG-CG 4.05Å; P396-R399 WeakPolarHBondContact O-CB 3.42Å; P396-R399 PolarHBondContact O-N 3.07Å; P396-R399 VanDerWaalsContact O-N 3.14Å; H397-R399 PolarHBondContact O-N 2.87Å
400	N	96.1	Very high	96.4	Very high	149 Å²	149	66.7 Å²	66.7	80%	0.797	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-94.5	-8.6	-175.4	-58.7	-23.8	0	0	0	113.5	H397 Y398	H397-N400 PolarHBondContact O-N 3.31Å; Y398-N400 PolarHBondContact O-N 3.26Å
401	L	96.2	Very high	96.5	Very high	42 Å²	42	69.7 Å²	69.7	22%	0.22	35%	0.353	C	S	.	.	S	Bend	trans	-68.6	135.8	175.4	-66.4	178.5	0	0	0	110.4	G373 K377 H397 Y398 P403	G373-L401 VanDerWaalsContact C-CD1 3.43Å; K377-L401 HydrophobicContact CD-CB 4.15Å; K377-L401 VanDerWaalsContact CD-O 3.29Å; K377-L401 WeakPolarHBondContact CD-O 3.3Å; K377-L401 WeakPolarHBondContact CE-O 3.32Å; K377-L401 PolarHBondContact NZ-O 3.29Å; H397-L401 PolarHBondContact O-N 3.35Å; Y398-L401 HydrophobicContact CD1-CD1 3.5Å; Y398-L401 VanDerWaalsContact CD1-CD1 3.5Å; Y398-L401 HydrophobicContact CD1-CG 4.46Å; Y398-L401 HydrophobicContact CE1-CD1 4.04Å; Y398-L401 HydrophobicContact CG-CD1 4.2Å; Y398-L401 PolarHBondContact O-N 2.97Å; L401-P403 WeakPolarHBondContact O-CD 3.13Å
402	N	96.6	Very high	96.6	Very high	126 Å²	126	71.1 Å²	71.1	67%	0.674	36%	0.361	S	S	*	.			trans	-80.3	114.1	171	-178.1	-0.5	0	0	0	109.3	R374 G404	R374-N402 WeakPolarHBondContact CD-O 3.44Å; R374-N402 WeakPolarHBondContact CG-O 3.47Å; N402-G404 PolarHBondContact O-N 3.17Å; N402-G404 PolarHBondContact OD1-N 2.86Å
403	P	97	Very high	96.6	Very high	21 Å²	21	72.4 Å²	72.4	14%	0.136	37%	0.365	C	S	.	.			trans	-72.1	-11.3	178.6	30.8	-33.7	0	0	0	112.9	K377 R378 L401 L406	K377-P403 HydrophobicContact CD-CB 4.19Å; K377-P403 HydrophobicContact CD-CG 4.32Å; K377-P403 HydrophobicContact CG-CB 4.22Å; R378-P403 VanDerWaalsContact CD-O 3.28Å; R378-P403 WeakPolarHBondContact CD-O 3.15Å; R378-P403 HydrophobicContact CG-CB 3.86Å; R378-P403 VanDerWaalsContact CG-O 3.24Å; R378-P403 WeakPolarHBondContact CG-O 3.42Å; R378-P403 PolarHBondContact NH1-O 2.73Å; L401-P403 WeakPolarHBondContact O-CD 3.13Å; P403-L406 HydrophobicContact CB-CD1 4.06Å; P403-L406 HydrophobicContact CB-CG 4.37Å; P403-L406 HydrophobicContact CG-CD1 3.99Å; P403-L406 HydrophobicContact CG-CG 4.46Å
404	G	96.8	Very high	96.8	Very high	38 Å²	38	75.4 Å²	75.4	39%	0.392	38%	0.375	S	S	.	.			trans	78.6	-167.5	-166.8	0	0	0	0	0	111.6	N402	N402-G404 PolarHBondContact O-N 3.17Å; N402-G404 PolarHBondContact OD1-N 2.86Å
405	D	98.1	Very high	97.2	Very high	119 Å²	119	76.4 Å²	76.4	64%	0.636	39%	0.391	S	S	*	.			trans	-71.9	130.3	178.5	-175.1	12.3	0	0	0	111.4	R378 T407	R378-D405 PolarHBondContact NH1-O 3.1Å; R378-D405 PolarHBondContact NH2-O 3.35Å; R378-D405 VanDerWaalsContact NH2-O 3.17Å; D405-T407 WeakPolarHBondContact OD1-CB 3.42Å; D405-T407 PolarHBondContact OD1-N 3.03Å; D405-T407 PolarHBondContact OD1-OG1 3.12Å
406	L	98.6	Very high	97.5	Very high	20 Å²	20	76 Å²	76	11%	0.105	39%	0.393	C	S	.	.			trans	-115.6	1.2	179	-64.4	178.1	0	0	0	112.8	R378 E381 V382 P403 K408 Q409 H410	R378-L406 HydrophobicContact CB-CD2 3.99Å; R378-L406 HydrophobicContact CG-CD2 3.97Å; E381-L406 HydrophobicContact CB-CD1 3.58Å; E381-L406 HydrophobicContact CG-CD1 4.13Å; V382-L406 HydrophobicContact CG2-CB 4.31Å; V382-L406 HydrophobicContact CG2-CD1 4.32Å; V382-L406 HydrophobicContact CG2-CD2 3.92Å; V382-L406 HydrophobicContact CG2-CG 4.43Å; P403-L406 HydrophobicContact CB-CD1 4.06Å; P403-L406 HydrophobicContact CB-CG 4.37Å; P403-L406 HydrophobicContact CG-CD1 3.99Å; P403-L406 HydrophobicContact CG-CG 4.46Å; L406-K408 PolarHBondContact O-N 3.33Å; L406-Q409 PolarHBondContact O-N 3.36Å; L406-H410 PolarHBondContact O-CD2 3.2Å; L406-H410 VanDerWaalsContact O-CD2 3.31Å; L406-H410 PolarHBondContact O-N 3.28Å
407	T	98.5	Very high	97.7	Very high	75 Å²	75	79.1 Å²	79.1	46%	0.46	41%	0.405	S	S	.	.	H	α-helix	trans	-55.5	-50	-172.9	-56.5	0	0	0	0	111.9	D405 Q409 H410 Q411	D405-T407 WeakPolarHBondContact OD1-CB 3.42Å; D405-T407 PolarHBondContact OD1-N 3.03Å; D405-T407 PolarHBondContact OD1-OG1 3.12Å; T407-Q409 VanDerWaalsContact C-N 3.31Å; T407-Q409 PolarHBondContact O-N 3.46Å; T407-H410 PolarHBondContact O-N 2.72Å; T407-Q411 WeakPolarHBondContact O-CB 3.3Å; T407-Q411 VanDerWaalsContact O-CG 3.3Å; T407-Q411 WeakPolarHBondContact O-CG 3.36Å; T407-Q411 PolarHBondContact O-N 2.68Å
408	K	98.1	Very high	97.8	Very high	128 Å²	128	75.8 Å²	75.8	56%	0.557	39%	0.392	S	S	*	.	H	α-helix	trans	-58.6	-40.6	177.6	-178.1	-179.2	173.8	-174.9	0	112.2	E322 L406 Q411 L412	E322-K408 IonicContact OE2-NZ 3.92Å; E322-K408 PolarHBondContact OE2-NZ 3.22Å; L406-K408 PolarHBondContact O-N 3.33Å; K408-Q411 PolarHBondContact O-N 3.42Å; K408-L412 WeakPolarHBondContact O-CB 3.44Å; K408-L412 PolarHBondContact O-N 2.85Å
409	Q	98.7	Very high	98	Very high	9 Å²	9	80 Å²	80	4%	0.042	41%	0.411	C	S	.	.	H	α-helix	trans	-72.8	-40.7	-177.1	-58.8	-55.6	-23.8	0	0	112	D321 V382 L406 T407 L412 R413	D321-Q409 HydrophobicContact CB-CG 4.26Å; D321-Q409 PolarHBondContact OD1-NE2 2.89Å; V382-Q409 HydrophobicContact CB-CB 4.46Å; V382-Q409 HydrophobicContact CG1-CB 3.92Å; V382-Q409 HydrophobicContact CG2-CB 3.73Å; L406-Q409 PolarHBondContact O-N 3.36Å; T407-Q409 VanDerWaalsContact C-N 3.31Å; T407-Q409 PolarHBondContact O-N 3.46Å; Q409-L412 PolarHBondContact O-N 3.4Å; Q409-R413 PolarHBondContact O-N 3.22Å
410	H	98.6	Very high	98.1	Very high	85 Å²	85	77.5 Å²	77.5	39%	0.394	41%	0.41	S	S	.	.	H	α-helix	trans	-64	-41.3	172.4	-75.6	-64.2	0	0	0	112.3	E381 L406 T407 R413 K414	E381-H410 PolarHBondContact O-CE1 3.04Å; L406-H410 PolarHBondContact O-CD2 3.2Å; L406-H410 VanDerWaalsContact O-CD2 3.31Å; L406-H410 PolarHBondContact O-N 3.28Å; T407-H410 PolarHBondContact O-N 2.72Å; H410-R413 PolarHBondContact O-N 3.21Å; H410-K414 WeakPolarHBondContact O-CB 3.4Å; H410-K414 PolarHBondContact O-N 3.21Å
411	Q	98.6	Very high	98.2	Very high	126 Å²	126	70.4 Å²	70.4	59%	0.589	37%	0.372	S	S	*	.	H	α-helix	trans	-62.8	-42.1	175.9	-74.8	174.6	-2.7	0	0	111.9	T407 K408 K414 S415	T407-Q411 WeakPolarHBondContact O-CB 3.3Å; T407-Q411 VanDerWaalsContact O-CG 3.3Å; T407-Q411 WeakPolarHBondContact O-CG 3.36Å; T407-Q411 PolarHBondContact O-N 2.68Å; K408-Q411 PolarHBondContact O-N 3.42Å; Q411-K414 PolarHBondContact O-N 3.21Å; Q411-S415 WeakPolarHBondContact O-CB 3.41Å; Q411-S415 PolarHBondContact O-N 2.65Å; Q411-S415 PolarHBondContact O-OG 2.88Å
412	L	98.6	Very high	98.3	Very high	31 Å²	31	72.9 Å²	72.9	16%	0.162	38%	0.381	C	S	.	.	H	α-helix	trans	-60.4	-48.5	175.5	177.2	65.4	0	0	0	112	L317 K408 Q409 K414 S415 L416	L317-L412 WeakPolarHBondContact O-CD2 3.4Å; K408-L412 WeakPolarHBondContact O-CB 3.44Å; K408-L412 PolarHBondContact O-N 2.85Å; Q409-L412 PolarHBondContact O-N 3.4Å; L412-K414 VanDerWaalsContact C-N 3.26Å; L412-K414 PolarHBondContact O-N 2.85Å; L412-S415 PolarHBondContact O-N 3.4Å; L412-S415 PolarHBondContact O-OG 3.24Å; L412-L416 HydrophobicContact CD1-CD1 3.83Å; L412-L416 HydrophobicContact CD1-CG 4.23Å; L412-L416 HydrophobicContact CG-CD1 4.13Å; L412-L416 WeakPolarHBondContact O-CG 3.45Å; L412-L416 PolarHBondContact O-N 3Å; L412-L416 VanDerWaalsContact O-N 3.13Å
413	R	98.7	Very high	98.4	Very high	32 Å²	32	70 Å²	70	12%	0.121	36%	0.361	C	S	.	.	H	α-helix	trans	-59.2	-39.9	177	-175.6	173.8	-177.9	-147.5	-3.8	111.8	V382 W383 D385 Q409 H410 C418	V382-R413 WeakPolarHBondContact O-CD 3.3Å; V382-R413 PolarHBondContact O-NH1 3.12Å; W383-R413 HydrophobicContact CE3-CG 4.06Å; W383-R413 HydrophobicContact CH2-CB 3.72Å; W383-R413 HydrophobicContact CH2-CG 3.99Å; W383-R413 HydrophobicContact CZ2-CB 4.37Å; W383-R413 HydrophobicContact CZ3-CB 3.85Å; W383-R413 HydrophobicContact CZ3-CG 3.56Å; D385-R413 VanDerWaalsContact CG-NH2 3.32Å; D385-R413 IonicContact OD1-CZ 3.05Å; D385-R413 VanDerWaalsContact OD1-CZ 3.24Å; D385-R413 IonicContact OD1-NH1 2.73Å; D385-R413 PolarHBondContact OD1-NH1 2.77Å; D385-R413 IonicContact OD1-NH2 3.69Å; D385-R413 PolarHBondContact OD1-NH2 3Å; D385-R413 IonicContact OD2-CZ 3.59Å; D385-R413 IonicContact OD2-NH2 3.63Å; D385-R413 PolarHBondContact OD2-NH2 3.3Å; Q409-R413 PolarHBondContact O-N 3.22Å; H410-R413 PolarHBondContact O-N 3.21Å; R413-C418 HydrophobicContact CG-CB 4.01Å; R413-C418 PolarHBondContact O-N 3.45Å; R413-C418 PolarHBondContact O-SG 3.16Å; R413-C418 VanDerWaalsContact O-SG 3.38Å
414	K	98.5	Very high	98.5	Very high	174 Å²	174	69 Å²	69	76%	0.757	35%	0.354	S	S	*	.	H	α-helix	trans	-68.1	-45.4	177.7	-172.4	178.6	179.8	-178.6	0	112.1	H410 Q411 L412 L416 N417	H410-K414 WeakPolarHBondContact O-CB 3.4Å; H410-K414 PolarHBondContact O-N 3.21Å; Q411-K414 PolarHBondContact O-N 3.21Å; L412-K414 VanDerWaalsContact C-N 3.26Å; L412-K414 PolarHBondContact O-N 2.85Å; K414-L416 VanDerWaalsContact C-N 3.29Å; K414-L416 PolarHBondContact O-N 3.48Å; K414-N417 PolarHBondContact O-N 3.07Å; K414-N417 VanDerWaalsContact O-N 3.12Å
415	S	98.4	Very high	98.6	Very high	81 Å²	81	67.6 Å²	67.6	57%	0.566	34%	0.337	S	S	*	.	H	α-helix	trans	-66.5	-31.2	-176.8	67.1	0	0	0	0	112.9	Q411 L412 N417	Q411-S415 WeakPolarHBondContact O-CB 3.41Å; Q411-S415 PolarHBondContact O-N 2.65Å; Q411-S415 PolarHBondContact O-OG 2.88Å; L412-S415 PolarHBondContact O-N 3.4Å; L412-S415 PolarHBondContact O-OG 3.24Å; S415-N417 VanDerWaalsContact C-N 3.25Å; S415-N417 PolarHBondContact O-N 3.24Å
416	L	98.5	Very high	98.6	Very high	47 Å²	47	67.1 Å²	67.1	25%	0.246	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.2	176	-69.1	175	0	0	0	113.8	L317 C341 L412 K414 C418	L317-L416 HydrophobicContact CD2-CD1 4.11Å; C341-L416 HydrophobicContact CB-CB 4.27Å; C341-L416 HydrophobicContact CB-CD1 4.36Å; L412-L416 HydrophobicContact CD1-CD1 3.83Å; L412-L416 HydrophobicContact CD1-CG 4.23Å; L412-L416 HydrophobicContact CG-CD1 4.13Å; L412-L416 WeakPolarHBondContact O-CG 3.45Å; L412-L416 PolarHBondContact O-N 3Å; L412-L416 VanDerWaalsContact O-N 3.13Å; K414-L416 VanDerWaalsContact C-N 3.29Å; K414-L416 PolarHBondContact O-N 3.48Å; L416-C418 WeakPolarHBondContact CB-SG 3.43Å; L416-C418 PolarHBondContact O-N 3.34Å
417	N	98.4	Very high	98.6	Very high	143 Å²	143	70.3 Å²	70.3	77%	0.765	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	42.4	-176.9	-62.1	-61.6	0	0	0	112.8	K414 S415	K414-N417 PolarHBondContact O-N 3.07Å; K414-N417 VanDerWaalsContact O-N 3.12Å; S415-N417 VanDerWaalsContact C-N 3.25Å; S415-N417 PolarHBondContact O-N 3.24Å
418	C	98.8	Very high	98.6	Very high	24 Å²	24	67.1 Å²	67.1	16%	0.162	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-66.6	146.2	-176.4	-49.5	0	0	0	0	111.4	Q340 C341 R413 L416	Q340-C418 HydrophobicContact CB-CB 4.06Å; Q340-C418 CarbonylContact O-C 3.51Å; Q340-C418 VanDerWaalsContact O-CA 3.32Å; Q340-C418 WeakPolarHBondContact O-CA 3.4Å; C341-C418 HydrophobicContact CB-CB 4.07Å; C341-C418 WeakPolarHBondContact CB-SG 3.29Å; C341-C418 WeakPolarHBondContact SG-CB 3.29Å; C341-C418 CovalentContact SG-SG 2.04Å; C341-C418 PolarHBondContact SG-SG 2.91Å; R413-C418 HydrophobicContact CG-CB 4.01Å; R413-C418 PolarHBondContact O-N 3.45Å; R413-C418 PolarHBondContact O-SG 3.16Å; R413-C418 VanDerWaalsContact O-SG 3.38Å; L416-C418 WeakPolarHBondContact CB-SG 3.43Å; L416-C418 PolarHBondContact O-N 3.34Å
419	K	98.8	Very high	98.6	Very high	102 Å²	102	61 Å²	61	44%	0.443	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-66.4	163.4	173.8	-58.6	-177.4	-172.1	-64.5	0	110.8	Q340 W423	Q340-K419 PolarHBondContact O-N 2.86Å; Q340-K419 PolarHBondContact OE1-O 3.19Å; K419-W423 HydrophobicContact CB-CB 4.16Å; K419-W423 HydrophobicContact CB-CD2 3.84Å; K419-W423 HydrophobicContact CB-CE3 3.68Å; K419-W423 HydrophobicContact CB-CG 4.02Å; K419-W423 HydrophobicContact CB-CZ3 4.4Å; K419-W423 HydrophobicContact CD-CD2 3.23Å; K419-W423 HydrophobicContact CD-CE3 3.53Å; K419-W423 HydrophobicContact CD-CG 3.77Å; K419-W423 HydrophobicContact CD-CH2 3.8Å; K419-W423 HydrophobicContact CD-CZ2 3.53Å; K419-W423 HydrophobicContact CD-CZ3 3.8Å; K419-W423 HydrophobicContact CG-CD2 4.17Å; K419-W423 HydrophobicContact CG-CE3 4.23Å; K419-W423 HydrophobicContact CG-CG 4.47Å
420	S	98.8	Very high	98.5	Very high	55 Å²	55	64.7 Å²	64.7	39%	0.385	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-70.8	160.5	176.5	62.7	0	0	0	0	112.2	D385 K422 W423 Y424	D385-S420 WeakPolarHBondContact OD2-CA 3.38Å; S420-K422 PolarHBondContact O-N 3.31Å; S420-W423 WeakPolarHBondContact O-CB 3.41Å; S420-W423 PolarHBondContact O-N 3.2Å; S420-W423 PolarHBondContact OG-N 2.77Å; S420-Y424 PolarHBondContact O-N 3.13Å
421	F	98.8	Very high	98.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66.2	-31	171.7	-162.1	-104	0	0	0	111.6	W274 W276 F336 W383 M384 D385 Y387 W423 Y424 M425	W274-F421 HydrophobicContact CH2-CZ 4.31Å; W274-F421 HydrophobicContact CZ2-CE1 4.3Å; W274-F421 AromaticContact CZ2-CZ 3.73Å; W274-F421 HydrophobicContact CZ2-CZ 3.73Å; W276-F421 HydrophobicContact CH2-CE1 4.39Å; F336-F421 AromaticContact CD1-CE2 3.94Å; F336-F421 HydrophobicContact CD1-CE2 3.94Å; F336-F421 HydrophobicContact CD2-CE2 4.12Å; F336-F421 AromaticContact CE1-CE2 3.78Å; F336-F421 HydrophobicContact CE1-CE2 3.78Å; F336-F421 HydrophobicContact CE1-CZ 4.22Å; F336-F421 AromaticContact CE2-CE2 3.94Å; F336-F421 HydrophobicContact CE2-CE2 3.94Å; F336-F421 HydrophobicContact CE2-CZ 4.46Å; F336-F421 HydrophobicContact CG-CE2 4.12Å; F336-F421 AromaticContact CZ-CE2 3.78Å; F336-F421 HydrophobicContact CZ-CE2 3.78Å; F336-F421 HydrophobicContact CZ-CZ 4.04Å; W383-F421 WeakPolarHBondContact O-CB 3.08Å; W383-F421 WeakPolarHBondContact O-CD2 3.31Å; M384-F421 HydrophobicContact CB-CD1 4.33Å; M384-F421 HydrophobicContact CB-CD2 4.44Å; M384-F421 HydrophobicContact CB-CE1 4.42Å; M384-F421 HydrophobicContact CB-CG 4.32Å; M384-F421 HydrophobicContact CE-CE1 4.11Å; M384-F421 HydrophobicContact CE-CZ 4.05Å; M384-F421 HydrophobicContact CG-CD2 4.31Å; M384-F421 HydrophobicContact CG-CE1 4.35Å; M384-F421 HydrophobicContact CG-CE2 3.98Å; M384-F421 HydrophobicContact CG-CZ 4Å; D385-F421 HydrophobicContact CB-CB 4.25Å; D385-F421 WeakPolarHBondContact OD2-CB 3.43Å; D385-F421 PolarHBondContact OD2-N 2.91Å; Y387-F421 HydrophobicContact CD1-CD1 4.38Å; Y387-F421 HydrophobicContact CD1-CE1 4.41Å; Y387-F421 AromaticContact CD2-CD1 3.63Å; Y387-F421 HydrophobicContact CD2-CD1 3.63Å; Y387-F421 HydrophobicContact CD2-CE1 4.42Å; Y387-F421 HydrophobicContact CE2-CD1 4.33Å; Y387-F421 AromaticContact CG-CD1 3.64Å; Y387-F421 HydrophobicContact CG-CD1 3.64Å; Y387-F421 AromaticContact CG-CE1 3.98Å; Y387-F421 HydrophobicContact CG-CE1 3.98Å; F421-W423 VanDerWaalsContact C-N 3.35Å; F421-W423 PolarHBondContact O-N 3.13Å; F421-Y424 AromaticContact CD2-CD1 3.85Å; F421-Y424 HydrophobicContact CD2-CD1 3.85Å; F421-Y424 AromaticContact CE2-CD1 3.52Å; F421-Y424 HydrophobicContact CE2-CD1 3.52Å; F421-Y424 AromaticContact CE2-CE1 3.8Å; F421-Y424 HydrophobicContact CE2-CE1 3.8Å; F421-Y424 AromaticContact CZ-CD1 3.91Å; F421-Y424 HydrophobicContact CZ-CD1 3.91Å; F421-Y424 HydrophobicContact CZ-CE1 4.05Å; F421-Y424 WeakPolarHBondContact O-CB 3.19Å; F421-Y424 PolarHBondContact O-N 3.2Å; F421-Y424 VanDerWaalsContact O-N 3.15Å; F421-M425 HydrophobicContact CD1-CG 3.74Å; F421-M425 HydrophobicContact CD1-SD 4.35Å; F421-M425 HydrophobicContact CE1-CG 3.61Å; F421-M425 HydrophobicContact CE1-SD 3.62Å; F421-M425 HydrophobicContact CZ-CG 4.42Å; F421-M425 HydrophobicContact CZ-SD 3.99Å; F421-M425 WeakPolarHBondContact O-CG 3.28Å; F421-M425 PolarHBondContact O-N 2.97Å
422	K	98.7	Very high	98.3	Very high	95 Å²	95	55.4 Å²	55.4	41%	0.413	28%	0.275	S	S	.	.	H	α-helix	trans	-56.8	-47.3	170.1	-177.7	175.8	176.2	179.2	0	111.8	Y387 S420 Y424 M425 E426	Y387-K422 HydrophobicContact CE2-CB 4.07Å; S420-K422 PolarHBondContact O-N 3.31Å; K422-Y424 VanDerWaalsContact C-N 3.28Å; K422-Y424 PolarHBondContact O-N 2.97Å; K422-M425 PolarHBondContact O-N 3.19Å; K422-E426 WeakPolarHBondContact CE-OE1 3.43Å; K422-E426 HydrophobicContact CG-CG 4.44Å; K422-E426 IonicContact NZ-OE1 3.47Å; K422-E426 WeakPolarHBondContact O-CB 3.37Å; K422-E426 WeakPolarHBondContact O-CG 3.45Å; K422-E426 PolarHBondContact O-N 2.95Å
423	W	98.8	Very high	98.1	Very high	66 Å²	66	56.5 Å²	56.5	25%	0.25	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-43.4	175	171.6	89.3	0	0	0	111.2	W339 K419 S420 F421 M425 E426 N427 I428	W339-W423 WeakPolarHBondContact O-CZ3 2.87Å; K419-W423 HydrophobicContact CB-CB 4.16Å; K419-W423 HydrophobicContact CB-CD2 3.84Å; K419-W423 HydrophobicContact CB-CE3 3.68Å; K419-W423 HydrophobicContact CB-CG 4.02Å; K419-W423 HydrophobicContact CB-CZ3 4.4Å; K419-W423 HydrophobicContact CD-CD2 3.23Å; K419-W423 HydrophobicContact CD-CE3 3.53Å; K419-W423 HydrophobicContact CD-CG 3.77Å; K419-W423 HydrophobicContact CD-CH2 3.8Å; K419-W423 HydrophobicContact CD-CZ2 3.53Å; K419-W423 HydrophobicContact CD-CZ3 3.8Å; K419-W423 HydrophobicContact CG-CD2 4.17Å; K419-W423 HydrophobicContact CG-CE3 4.23Å; K419-W423 HydrophobicContact CG-CG 4.47Å; S420-W423 WeakPolarHBondContact O-CB 3.41Å; S420-W423 PolarHBondContact O-N 3.2Å; S420-W423 PolarHBondContact OG-N 2.77Å; F421-W423 VanDerWaalsContact C-N 3.35Å; F421-W423 PolarHBondContact O-N 3.13Å; W423-M425 PolarHBondContact O-N 3.44Å; W423-E426 PolarHBondContact O-N 2.76Å; W423-N427 HydrophobicContact CD2-CB 4.4Å; W423-N427 HydrophobicContact CZ2-CB 4.21Å; W423-N427 PolarHBondContact NE1-ND2 3.06Å; W423-N427 VanDerWaalsContact O-CB 3.3Å; W423-N427 WeakPolarHBondContact O-CB 3.48Å; W423-N427 PolarHBondContact O-N 3.31Å; W423-N427 PolarHBondContact O-ND2 2.66Å; W423-I428 HydrophobicContact CH2-CD1 3.87Å; W423-I428 HydrophobicContact CH2-CG1 3.9Å; W423-I428 HydrophobicContact CZ2-CD1 4.42Å; W423-I428 HydrophobicContact CZ3-CD1 4.37Å; W423-I428 HydrophobicContact CZ3-CG1 3.88Å
424	Y	98.8	Very high	97.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.6	-45.1	177.8	171.6	-103	0	0	0	111.9	W274 P300 V301 F336 W339 S420 F421 K422 E426 I428 A429	W274-Y424 HydrophobicContact CH2-CD1 4.33Å; W274-Y424 AromaticContact CH2-CE1 3.39Å; W274-Y424 HydrophobicContact CH2-CE1 3.39Å; W274-Y424 HydrophobicContact CZ2-CE1 4.26Å; W274-Y424 AromaticContact CZ3-CE1 3.92Å; W274-Y424 HydrophobicContact CZ3-CE1 3.92Å; P300-Y424 PolarHBondContact O-OH 2.87Å; V301-Y424 WeakPolarHBondContact CG2-OH 3.38Å; F336-Y424 HydrophobicContact CD1-CD1 4.44Å; F336-Y424 AromaticContact CD1-CE1 3.73Å; F336-Y424 HydrophobicContact CD1-CE1 3.73Å; F336-Y424 HydrophobicContact CD1-CE2 4.46Å; F336-Y424 AromaticContact CD1-CZ 3.77Å; F336-Y424 AromaticContact CE1-CE1 3.62Å; F336-Y424 HydrophobicContact CE1-CE1 3.62Å; F336-Y424 AromaticContact CE1-CZ 3.88Å; W339-Y424 HydrophobicContact CB-CD2 3.63Å; W339-Y424 HydrophobicContact CB-CE2 3.74Å; W339-Y424 AromaticContact CD1-CE2 3.55Å; W339-Y424 HydrophobicContact CG-CD2 4.1Å; W339-Y424 AromaticContact CG-CE2 3.78Å; W339-Y424 HydrophobicContact CG-CE2 3.78Å; S420-Y424 PolarHBondContact O-N 3.13Å; F421-Y424 AromaticContact CD2-CD1 3.85Å; F421-Y424 HydrophobicContact CD2-CD1 3.85Å; F421-Y424 AromaticContact CE2-CD1 3.52Å; F421-Y424 HydrophobicContact CE2-CD1 3.52Å; F421-Y424 AromaticContact CE2-CE1 3.8Å; F421-Y424 HydrophobicContact CE2-CE1 3.8Å; F421-Y424 AromaticContact CZ-CD1 3.91Å; F421-Y424 HydrophobicContact CZ-CD1 3.91Å; F421-Y424 HydrophobicContact CZ-CE1 4.05Å; F421-Y424 WeakPolarHBondContact O-CB 3.19Å; F421-Y424 PolarHBondContact O-N 3.2Å; F421-Y424 VanDerWaalsContact O-N 3.15Å; K422-Y424 VanDerWaalsContact C-N 3.28Å; K422-Y424 PolarHBondContact O-N 2.97Å; Y424-E426 PolarHBondContact O-N 3.24Å; Y424-I428 HydrophobicContact CD2-CB 3.73Å; Y424-I428 HydrophobicContact CD2-CG1 3.87Å; Y424-I428 HydrophobicContact CD2-CG2 4.07Å; Y424-I428 HydrophobicContact CE2-CB 3.85Å; Y424-I428 HydrophobicContact CE2-CG1 4.35Å; Y424-I428 HydrophobicContact CE2-CG2 3.67Å; Y424-I428 WeakPolarHBondContact O-CA 3.17Å; Y424-I428 VanDerWaalsContact O-CB 3.31Å; Y424-I428 WeakPolarHBondContact O-CB 3.35Å; Y424-I428 PolarHBondContact O-N 2.85Å; Y424-A429 HydrophobicContact CE1-CB 4.16Å; Y424-A429 PolarHBondContact O-N 3.24Å
425	M	98.5	Very high	97.3	Very high	7 Å²	7	56.9 Å²	56.9	3%	0.034	29%	0.287	C	S	.	.	H	α-helix	trans	-63.9	-38.3	176.2	-68.9	-55.4	-61.8	0	0	113.1	W274 W276 Y387 F421 K422 W423 A429 F430 Q432 P433	W274-M425 HydrophobicContact CH2-CE 4.42Å; W274-M425 HydrophobicContact CH2-SD 3.62Å; W274-M425 HydrophobicContact CZ2-CE 4.14Å; W274-M425 HydrophobicContact CZ2-SD 3.45Å; W274-M425 WeakPolarHBondContact CZ2-SD 3.27Å; W276-M425 HydrophobicContact CH2-CE 4.4Å; W276-M425 HydrophobicContact CZ2-CE 4.07Å; Y387-M425 HydrophobicContact CD1-CG 4.27Å; Y387-M425 HydrophobicContact CE1-CB 4.41Å; Y387-M425 HydrophobicContact CE1-CG 3.88Å; Y387-M425 HydrophobicContact CE2-CG 4.46Å; F421-M425 HydrophobicContact CD1-CG 3.74Å; F421-M425 HydrophobicContact CD1-SD 4.35Å; F421-M425 HydrophobicContact CE1-CG 3.61Å; F421-M425 HydrophobicContact CE1-SD 3.62Å; F421-M425 HydrophobicContact CZ-CG 4.42Å; F421-M425 HydrophobicContact CZ-SD 3.99Å; F421-M425 WeakPolarHBondContact O-CG 3.28Å; F421-M425 PolarHBondContact O-N 2.97Å; K422-M425 PolarHBondContact O-N 3.19Å; W423-M425 PolarHBondContact O-N 3.44Å; M425-A429 HydrophobicContact CE-CB 4.39Å; M425-A429 CarbonylContact O-C 3.55Å; M425-A429 HydrophobicContact SD-CB 4.04Å; M425-F430 WeakPolarHBondContact O-CA 3.28Å; M425-F430 PolarHBondContact O-N 2.84Å; M425-F430 VanDerWaalsContact O-N 3.11Å; M425-Q432 HydrophobicContact CE-CB 4.31Å; M425-P433 HydrophobicContact CE-CG 3.86Å
426	E	98.3	Very high	97	Very high	110 Å²	110	55.7 Å²	55.7	51%	0.514	27%	0.27	S	S	.	.	H	α-helix	trans	-80.6	-30.4	-177.1	-71.3	174.7	167.1	0	0	113.4	K422 W423 Y424 F430	K422-E426 WeakPolarHBondContact CE-OE1 3.43Å; K422-E426 HydrophobicContact CG-CG 4.44Å; K422-E426 IonicContact NZ-OE1 3.47Å; K422-E426 WeakPolarHBondContact O-CB 3.37Å; K422-E426 WeakPolarHBondContact O-CG 3.45Å; K422-E426 PolarHBondContact O-N 2.95Å; W423-E426 PolarHBondContact O-N 2.76Å; Y424-E426 PolarHBondContact O-N 3.24Å; E426-F430 WeakPolarHBondContact O-CB 3.5Å
427	N	98.3	Very high	96.6	Very high	87 Å²	87	54.3 Å²	54.3	47%	0.465	27%	0.265	S	S	.	.	H	α-helix	trans	-111	-27.9	-170	-64.1	-95.1	0	0	0	113.7	W423	W423-N427 HydrophobicContact CD2-CB 4.4Å; W423-N427 HydrophobicContact CZ2-CB 4.21Å; W423-N427 PolarHBondContact NE1-ND2 3.06Å; W423-N427 VanDerWaalsContact O-CB 3.3Å; W423-N427 WeakPolarHBondContact O-CB 3.48Å; W423-N427 PolarHBondContact O-N 3.31Å; W423-N427 PolarHBondContact O-ND2 2.66Å
428	I	98.4	Very high	96.4	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.041	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-54	-176.5	-51.2	-56.9	0	0	0	110.5	P300 W339 W423 Y424	P300-I428 HydrophobicContact CB-CG2 4.29Å; W339-I428 HydrophobicContact CB-CG1 4.33Å; W339-I428 HydrophobicContact CD2-CB 4.49Å; W339-I428 HydrophobicContact CD2-CD1 3.92Å; W339-I428 HydrophobicContact CD2-CG1 4Å; W339-I428 HydrophobicContact CD2-CG2 3.69Å; W339-I428 HydrophobicContact CE3-CD1 3.52Å; W339-I428 HydrophobicContact CE3-CG1 4.06Å; W339-I428 HydrophobicContact CE3-CG2 4.38Å; W339-I428 HydrophobicContact CG-CG1 4.18Å; W339-I428 HydrophobicContact CG-CG2 3.85Å; W339-I428 HydrophobicContact CH2-CD1 4.49Å; W339-I428 HydrophobicContact CZ2-CG2 4.11Å; W339-I428 HydrophobicContact CZ3-CD1 3.88Å; W423-I428 HydrophobicContact CH2-CD1 3.87Å; W423-I428 HydrophobicContact CH2-CG1 3.9Å; W423-I428 HydrophobicContact CZ2-CD1 4.42Å; W423-I428 HydrophobicContact CZ3-CD1 4.37Å; W423-I428 HydrophobicContact CZ3-CG1 3.88Å; Y424-I428 HydrophobicContact CD2-CB 3.73Å; Y424-I428 HydrophobicContact CD2-CG1 3.87Å; Y424-I428 HydrophobicContact CD2-CG2 4.07Å; Y424-I428 HydrophobicContact CE2-CB 3.85Å; Y424-I428 HydrophobicContact CE2-CG1 4.35Å; Y424-I428 HydrophobicContact CE2-CG2 3.67Å; Y424-I428 WeakPolarHBondContact O-CA 3.17Å; Y424-I428 VanDerWaalsContact O-CB 3.31Å; Y424-I428 WeakPolarHBondContact O-CB 3.35Å; Y424-I428 PolarHBondContact O-N 2.85Å
429	A	98.3	Very high	96	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-98.9	33.8	-177.4	0	0	0	0	0	113.1	W274 P300 Y424 M425 D431 Q432 P433	W274-A429 HydrophobicContact CH2-CB 3.73Å; W274-A429 HydrophobicContact CZ3-CB 4.18Å; P300-A429 HydrophobicContact CB-CB 4.23Å; Y424-A429 HydrophobicContact CE1-CB 4.16Å; Y424-A429 PolarHBondContact O-N 3.24Å; M425-A429 HydrophobicContact CE-CB 4.39Å; M425-A429 CarbonylContact O-C 3.55Å; M425-A429 HydrophobicContact SD-CB 4.04Å; A429-D431 PolarHBondContact O-N 3.06Å; A429-D431 VanDerWaalsContact O-N 3.1Å; A429-Q432 HydrophobicContact CB-CB 4.1Å; A429-Q432 VanDerWaalsContact O-CB 3.31Å; A429-Q432 WeakPolarHBondContact O-CB 3.37Å; A429-Q432 PolarHBondContact O-N 3.47Å; A429-P433 WeakPolarHBondContact O-CD 3.4Å
430	F	97.8	Very high	95.1	Very high	86 Å²	86	53 Å²	53	38%	0.377	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.4	-172.7	65.6	-93	0	0	0	114.9	L286 M425 E426	L286-F430 HydrophobicContact CD1-CE1 4.37Å; L286-F430 HydrophobicContact CD1-CZ 3.92Å; L286-F430 HydrophobicContact CD2-CE2 4.41Å; L286-F430 HydrophobicContact CD2-CZ 3.82Å; M425-F430 WeakPolarHBondContact O-CA 3.28Å; M425-F430 PolarHBondContact O-N 2.84Å; M425-F430 VanDerWaalsContact O-N 3.11Å; E426-F430 WeakPolarHBondContact O-CB 3.5Å
431	D	96.3	Very high	94.4	Very high	15 Å²	15	53.8 Å²	53.8	8%	0.08	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-9.4	178.9	60.1	-18.9	0	0	0	113.3	R271 L283 A429 K434	R271-D431 IonicContact CZ-OD1 2.68Å; R271-D431 IonicContact CZ-OD2 3.91Å; R271-D431 IonicContact NE-OD2 3.7Å; R271-D431 IonicContact NH2-OD1 3.5Å; R271-D431 PolarHBondContact NH2-OD1 3.44Å; R271-D431 IonicContact NH2-OD2 3.18Å; R271-D431 PolarHBondContact NH2-OD2 3.34Å; L283-D431 WeakPolarHBondContact CD1-OD1 3.44Å; A429-D431 PolarHBondContact O-N 3.06Å; A429-D431 VanDerWaalsContact O-N 3.1Å; D431-K434 HydrophobicContact CB-CD 4.31Å; D431-K434 WeakPolarHBondContact O-CB 3.08Å; D431-K434 PolarHBondContact O-N 2.88Å
432	Q	96.3	Very high	93.6	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-56.8	-47.9	174.9	-174.3	-81.8	0.5	0	0	111.5	S273 W274 L283 M425 A429 K434 K435 Y436	S273-Q432 VanDerWaalsContact OG-CG 3.26Å; S273-Q432 WeakPolarHBondContact OG-CG 3.47Å; W274-Q432 HydrophobicContact CH2-CG 4.35Å; W274-Q432 HydrophobicContact CZ2-CG 4.41Å; W274-Q432 HydrophobicContact CZ3-CG 4.48Å; W274-Q432 PolarHBondContact O-NE2 2.75Å; L283-Q432 HydrophobicContact CD1-CB 4.34Å; M425-Q432 HydrophobicContact CE-CB 4.31Å; A429-Q432 HydrophobicContact CB-CB 4.1Å; A429-Q432 VanDerWaalsContact O-CB 3.31Å; A429-Q432 WeakPolarHBondContact O-CB 3.37Å; A429-Q432 PolarHBondContact O-N 3.47Å; Q432-K434 PolarHBondContact O-N 3.47Å; Q432-K434 VanDerWaalsContact O-N 3.16Å; Q432-K435 PolarHBondContact O-N 2.04Å; Q432-K435 VanDerWaalsContact O-N 3.08Å; Q432-Y436 PolarHBondContact NE2-O 2.74Å; Q432-Y436 PolarHBondContact O-N 3.49Å; Q432-Y436 PolarHBondContact OE1-O 3.48Å
433	P	94.5	Very high	93	Very high	55 Å²	55	55.8 Å²	55.8	36%	0.357	29%	0.288	S	S	.	.	H	α-helix	trans	-66.5	-21.5	-178.4	-23.5	35.2	0	0	0	113.5	M425 A429 K435 P437	M425-P433 HydrophobicContact CE-CG 3.86Å; A429-P433 WeakPolarHBondContact O-CD 3.4Å; P433-K435 VanDerWaalsContact C-N 3.29Å; P433-K435 PolarHBondContact O-N 3.21Å; P433-P437 WeakPolarHBondContact O-CA 3.45Å; P433-P437 WeakPolarHBondContact O-CB 3.43Å
434	K	91.1	Very high	92.7	Very high	150 Å²	150	57.4 Å²	57.4	65%	0.652	30%	0.301	S	S	*	.	H	α-helix	trans	-68.1	-32.5	176.8	-58.2	179.1	-176.9	173.6	0	111.3	D431 Q432	D431-K434 HydrophobicContact CB-CD 4.31Å; D431-K434 WeakPolarHBondContact O-CB 3.08Å; D431-K434 PolarHBondContact O-N 2.88Å; Q432-K434 PolarHBondContact O-N 3.47Å; Q432-K434 VanDerWaalsContact O-N 3.16Å
435	K	88.7	Confident	92.4	Very high	63 Å²	63	59.3 Å²	59.3	27%	0.274	31%	0.311	S	S	.	.	H	α-helix	trans	-97.3	-44.6	178.9	-70.2	-62.9	-171.1	173.5	0	112.3	L283 Q432 P433 P437 K492 G522	L283-K435 HydrophobicContact CD2-CB 3.81Å; L283-K435 HydrophobicContact CD2-CG 3.71Å; Q432-K435 PolarHBondContact O-N 2.04Å; Q432-K435 VanDerWaalsContact O-N 3.08Å; P433-K435 VanDerWaalsContact C-N 3.29Å; P433-K435 PolarHBondContact O-N 3.21Å; K435-P437 WeakPolarHBondContact O-CD 3.42Å; K435-K492 PolarHBondContact O-NZ 3.49Å; K435-G522 PolarHBondContact NZ-O 3.05Å
436	Y	91.4	Very high	92.1	Very high	56 Å²	56	62.1 Å²	62.1	22%	0.22	32%	0.324	C	S	.	.	S	Bend	trans	-124.1	75.8	-175.1	-51.2	-70.1	0	0	0	109.9	D275 W276 K281 L283 Q432	D275-Y436 HydrophobicContact CB-CD1 3.97Å; D275-Y436 HydrophobicContact CB-CG 4.25Å; W276-Y436 VanDerWaalsContact CD1-O 3.24Å; W276-Y436 PolarHBondContact NE1-O 2.92Å; K281-Y436 HydrophobicContact CB-CD2 4.34Å; K281-Y436 HydrophobicContact CB-CE1 4.37Å; K281-Y436 HydrophobicContact CB-CE2 3.54Å; K281-Y436 HydrophobicContact CD-CE1 3.99Å; K281-Y436 HydrophobicContact CG-CD1 4.38Å; K281-Y436 HydrophobicContact CG-CD2 4.39Å; K281-Y436 HydrophobicContact CG-CE1 3.84Å; K281-Y436 HydrophobicContact CG-CE2 3.84Å; L283-Y436 HydrophobicContact CD2-CD2 4.36Å; L283-Y436 HydrophobicContact CD2-CE2 3.98Å; Q432-Y436 PolarHBondContact NE2-O 2.74Å; Q432-Y436 PolarHBondContact O-N 3.49Å; Q432-Y436 PolarHBondContact OE1-O 3.48Å
437	P	91.8	Very high	91.8	Very high	19 Å²	19	56.9 Å²	56.9	12%	0.123	30%	0.3	C	S	.	.			trans	-66.3	140.7	-175	29.3	-36	0	0	0	111.5	R394 P433 K435 I439 E440	R394-P437 PolarHBondContact NH2-O 3.23Å; P433-P437 WeakPolarHBondContact O-CA 3.45Å; P433-P437 WeakPolarHBondContact O-CB 3.43Å; K435-P437 WeakPolarHBondContact O-CD 3.42Å; P437-I439 WeakPolarHBondContact CB-O 3.06Å; P437-I439 PolarHBondContact O-N 2.8Å; P437-E440 WeakPolarHBondContact CG-OE2 3.39Å
438	A	92.2	Very high	91.6	Very high	18 Å²	18	53.8 Å²	53.8	15%	0.149	28%	0.283	C	S	.	.	S	Bend	trans	-58.1	-39.7	177.8	0	0	0	0	0	112.1	W276 Y390 R394	W276-A438 VanDerWaalsContact CD1-CA 3.45Å; W276-A438 HydrophobicContact CD2-CB 4.38Å; W276-A438 HydrophobicContact CZ2-CB 3.98Å; Y390-A438 HydrophobicContact CD1-CB 3.73Å; Y390-A438 HydrophobicContact CD2-CB 3.71Å; Y390-A438 HydrophobicContact CE1-CB 3.79Å; Y390-A438 HydrophobicContact CE2-CB 3.79Å; Y390-A438 HydrophobicContact CG-CB 3.68Å; R394-A438 PolarHBondContact NH1-O 2.76Å; R394-A438 PolarHBondContact NH2-O 3.44Å
439	I	90.5	Very high	91.5	Very high	113 Å²	113	53.4 Å²	53.4	58%	0.579	28%	0.281	S	S	*	.	S	Bend	trans	-119	120	170.4	-60.1	175.8	0	0	0	106.9	Y390 P437	Y390-I439 HydrophobicContact CD1-CG1 4.32Å; Y390-I439 HydrophobicContact CE1-CD1 4.15Å; Y390-I439 HydrophobicContact CE1-CG1 3.87Å; P437-I439 WeakPolarHBondContact CB-O 3.06Å; P437-I439 PolarHBondContact O-N 2.8Å
440	E	81.7	Confident	91.4	Very high	111 Å²	111	58.4 Å²	58.4	52%	0.519	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-62.2	133.5	176.8	-70.4	-65.3	164.6	0	0	110	P437	P437-E440 WeakPolarHBondContact CG-OE2 3.39Å
441	P	83	Confident	91.4	Very high	70 Å²	70	54.4 Å²	54.4	46%	0.455	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-55.7	145.4	173.3	-23.5	32.5	0	0	0	111	S443 A491	P441-S443 PolarHBondContact O-N 3.46Å; P441-A491 HydrophobicContact CB-CB 3.73Å; P441-A491 HydrophobicContact CG-CB 4.34Å
442	S	83	Confident	91.2	Very high	110 Å²	110	56.8 Å²	56.8	77%	0.769	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-54.4	135.9	173.1	-55.1	0	0	0	0	110.4
443	S	86	Confident	90.9	Very high	27 Å²	27	61.3 Å²	61.3	19%	0.189	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-66.7	140.6	176	-69	0	0	0	0	109.4	P441 I445 Y489	P441-S443 PolarHBondContact O-N 3.46Å; S443-I445 VanDerWaalsContact C-N 3.26Å; S443-I445 PolarHBondContact O-N 3.5Å; S443-Y489 CarbonylContact C-O 3.5Å; S443-Y489 WeakPolarHBondContact CA-O 3.12Å; S443-Y489 WeakPolarHBondContact CB-O 3.19Å
444	L	91.1	Very high	90.9	Very high	101 Å²	101	60.6 Å²	60.6	53%	0.529	32%	0.319	S	S	.	.	S	Bend	trans	-63.4	-37.5	178.8	-61	175.6	0	0	0	110.8	Y489 T490	L444-Y489 HydrophobicContact CB-CD1 3.77Å; L444-Y489 HydrophobicContact CB-CE1 4.36Å; L444-Y489 HydrophobicContact CD1-CD1 3.83Å; L444-Y489 HydrophobicContact CD1-CE1 3.62Å; L444-Y489 HydrophobicContact CG-CD1 4.39Å; L444-Y489 PolarHBondContact N-O 3.09Å; L444-T490 WeakPolarHBondContact CD1-O 3.38Å
445	I	93.3	Very high	91	Very high	40 Å²	40	54.4 Å²	54.4	21%	0.205	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	140.4	177.7	-54.4	177.1	0	0	0	108.3	S443 Y489 Y531 F572	S443-I445 VanDerWaalsContact C-N 3.26Å; S443-I445 PolarHBondContact O-N 3.5Å; I445-Y489 HydrophobicContact CD1-CD1 4.33Å; I445-Y489 HydrophobicContact CG1-CD1 4.38Å; I445-Y489 PolarHBondContact N-O 3.42Å; I445-Y489 PolarHBondContact O-N 3.01Å; I445-Y531 HydrophobicContact CD1-CD1 3.36Å; I445-Y531 HydrophobicContact CD1-CE1 3.73Å; I445-Y531 HydrophobicContact CD1-CG 4.49Å; I445-F572 HydrophobicContact CG2-CB 4.22Å; I445-F572 HydrophobicContact CG2-CD2 3.81Å; I445-F572 HydrophobicContact CG2-CE2 4.32Å; I445-F572 HydrophobicContact CG2-CG 3.91Å; I445-F572 WeakPolarHBondContact CG2-O 3.39Å
446	E	92.1	Very high	91.4	Very high	65 Å²	65	52.9 Å²	52.9	30%	0.304	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.7	169.5	-56.7	-163.4	164.9	0	0	110.8	F487 Q488 K498 G573	E446-F487 WeakPolarHBondContact CA-O 3.08Å; E446-Q488 HydrophobicContact CG-CG 4.06Å; E446-Q488 PolarHBondContact OE1-NE2 3.11Å; E446-K498 IonicContact OE2-NZ 3.31Å; E446-K498 PolarHBondContact OE2-NZ 2.95Å; E446-G573 CarbonylContact O-C 3.6Å
447	G	92.8	Very high	91.6	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	140.9	-150.9	173.6	0	0	0	0	0	112.1	F487	G447-F487 PolarHBondContact N-O 3.5Å; G447-F487 PolarHBondContact O-N 3.14Å
448	N	93.9	Very high	91.8	Very high	22 Å²	22	49.3 Å²	49.3	12%	0.118	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	150.7	-177.1	-59.2	33	0	0	0	109.7	Q485 F572 G573 L575	N448-Q485 WeakPolarHBondContact CA-O 3.47Å; N448-F572 WeakPolarHBondContact O-CA 3.46Å; N448-G573 PolarHBondContact N-O 3.34Å; N448-G573 PolarHBondContact O-N 3.19Å; N448-L575 HydrophobicContact CB-CG 4.33Å; N448-L575 WeakPolarHBondContact ND2-CD1 3.32Å
449	I	96.6	Very high	92	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	99.6	170.1	-60	172.2	0	0	0	106.6	C457 L458 F487 I495 I538 W570 I571 F572	I449-C457 CarbonylContact O-C 3.55Å; I449-C457 WeakPolarHBondContact O-CA 3.2Å; I449-L458 HydrophobicContact CB-CB 3.93Å; I449-L458 HydrophobicContact CD1-CD2 3.9Å; I449-L458 HydrophobicContact CG2-CB 4.24Å; I449-L458 PolarHBondContact O-N 3.39Å; I449-F487 HydrophobicContact CD1-CB 3.8Å; I449-F487 HydrophobicContact CD1-CD1 4.24Å; I449-F487 HydrophobicContact CD1-CD2 4.11Å; I449-F487 HydrophobicContact CD1-CG 3.79Å; I449-F487 HydrophobicContact CG1-CB 4.17Å; I449-F487 HydrophobicContact CG1-CD2 4.33Å; I449-F487 HydrophobicContact CG1-CG 4.35Å; I449-I495 HydrophobicContact CD1-CG2 3.66Å; I449-I538 HydrophobicContact CG2-CD1 3.59Å; I449-W570 HydrophobicContact CG2-CD2 4.37Å; I449-W570 HydrophobicContact CG2-CE3 3.71Å; I449-W570 HydrophobicContact CG2-CZ3 4.29Å; I449-I571 WeakPolarHBondContact CA-O 3.43Å; I449-F572 HydrophobicContact CD1-CD1 4.12Å; I449-F572 HydrophobicContact CD1-CD2 4.43Å; I449-F572 HydrophobicContact CD1-CE1 3.74Å; I449-F572 HydrophobicContact CD1-CE2 4.12Å; I449-F572 HydrophobicContact CD1-CG 4.45Å; I449-F572 HydrophobicContact CD1-CZ 3.77Å; I449-F572 HydrophobicContact CG1-CB 4.49Å; I449-F572 HydrophobicContact CG1-CD1 3.91Å; I449-F572 HydrophobicContact CG1-CD2 3.57Å; I449-F572 HydrophobicContact CG1-CE1 3.91Å; I449-F572 HydrophobicContact CG1-CE2 3.62Å; I449-F572 HydrophobicContact CG1-CG 3.74Å; I449-F572 HydrophobicContact CG1-CZ 3.8Å
450	R	96.2	Very high	92.3	Very high	105 Å²	105	43.1 Å²	43.1	40%	0.396	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.4	-175.6	178.8	175.3	175.7	-171.9	-1.6	110.5	L456 W570 I571	R450-L456 WeakPolarHBondContact CA-O 3.46Å; R450-W570 CarbonylContact O-C 3.52Å; R450-W570 WeakPolarHBondContact O-CA 3.31Å; R450-I571 PolarHBondContact N-O 3.07Å; R450-I571 PolarHBondContact O-N 3.4Å
451	N	96.6	Very high	92.8	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	126.4	166.4	-172.7	-93.6	0	0	0	109.3	V453 S454 G455 L456 S567 W570	N451-V453 VanDerWaalsContact C-N 3.28Å; N451-V453 PolarHBondContact O-N 2.88Å; N451-V453 PolarHBondContact OD1-N 2.94Å; N451-S454 WeakPolarHBondContact CB-OG 3.18Å; N451-S454 PolarHBondContact OD1-N 3Å; N451-S454 PolarHBondContact OD1-OG 2.89Å; N451-G455 VanDerWaalsContact O-CA 3.31Å; N451-G455 WeakPolarHBondContact O-CA 3.07Å; N451-G455 PolarHBondContact O-N 2.85Å; N451-G455 VanDerWaalsContact O-N 3.07Å; N451-L456 PolarHBondContact N-O 2.76Å; N451-S567 PolarHBondContact ND2-O 3.47Å; N451-W570 HydrophobicContact CB-CE3 3.89Å; N451-W570 HydrophobicContact CB-CH2 4.12Å; N451-W570 HydrophobicContact CB-CZ3 3.65Å
452	L	92.2	Very high	93.3	Very high	66 Å²	66	42.1 Å²	42.1	35%	0.346	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-28.6	-172.5	-92.5	171.3	0	0	0	113.4	N536 S569 I571	L452-N536 HydrophobicContact CD1-CB 4.16Å; L452-S569 WeakPolarHBondContact CB-O 3.39Å; L452-S569 WeakPolarHBondContact CD1-OG 3.12Å; L452-S569 PolarHBondContact N-O 2.94Å; L452-I571 HydrophobicContact CD1-CD1 4.12Å; L452-I571 HydrophobicContact CD1-CG1 3.88Å; L452-I571 HydrophobicContact CD2-CD1 3.41Å; L452-I571 VanDerWaalsContact CD2-CD1 3.41Å; L452-I571 HydrophobicContact CD2-CG1 3.92Å; L452-I571 HydrophobicContact CG-CD1 3.94Å; L452-I571 HydrophobicContact CG-CG1 3.85Å
453	V	90.3	Very high	93.8	Very high	95 Å²	95	38.5 Å²	38.5	58%	0.576	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-50.5	-170.3	176.4	0	0	0	0	111.1	N451 G455 P566	N451-V453 VanDerWaalsContact C-N 3.28Å; N451-V453 PolarHBondContact O-N 2.88Å; N451-V453 PolarHBondContact OD1-N 2.94Å; V453-G455 VanDerWaalsContact C-N 3.26Å; V453-G455 PolarHBondContact O-N 2.94Å; V453-P566 HydrophobicContact CB-CB 4.31Å; V453-P566 HydrophobicContact CG1-CB 4.24Å; V453-P566 HydrophobicContact CG2-CB 3.36Å; V453-P566 WeakPolarHBondContact CG2-O 3.24Å
454	S	94.2	Very high	94.1	Very high	39 Å²	39	39.8 Å²	39.8	27%	0.273	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-20.8	177	69.6	0	0	0	0	112.7	N451 L456 P551	N451-S454 WeakPolarHBondContact CB-OG 3.18Å; N451-S454 PolarHBondContact OD1-N 3Å; N451-S454 PolarHBondContact OD1-OG 2.89Å; S454-L456 PolarHBondContact O-N 3.31Å; S454-L456 WeakPolarHBondContact OG-CB 3.38Å; S454-L456 PolarHBondContact OG-N 3.43Å; S454-P551 VanDerWaalsContact CB-CG 3.49Å
455	G	94	Very high	94	Very high	20 Å²	20	37 Å²	37	21%	0.206	20%	0.204	C	C	.	.			trans	71	1.2	-172.2	0	0	0	0	0	114.2	N451 V453 C474	N451-G455 VanDerWaalsContact O-CA 3.31Å; N451-G455 WeakPolarHBondContact O-CA 3.07Å; N451-G455 PolarHBondContact O-N 2.85Å; N451-G455 VanDerWaalsContact O-N 3.07Å; V453-G455 VanDerWaalsContact C-N 3.26Å; V453-G455 PolarHBondContact O-N 2.94Å; G455-C474 PolarHBondContact O-SG 3.36Å
456	L	95.9	Very high	94	Very high	32 Å²	32	40.9 Å²	40.9	17%	0.168	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	155.5	177.3	-58.3	176	0	0	0	111.3	R450 N451 S454 L471 P473 C474 P551	R450-L456 WeakPolarHBondContact CA-O 3.46Å; N451-L456 PolarHBondContact N-O 2.76Å; S454-L456 PolarHBondContact O-N 3.31Å; S454-L456 WeakPolarHBondContact OG-CB 3.38Å; S454-L456 PolarHBondContact OG-N 3.43Å; L456-L471 HydrophobicContact CB-CB 4.11Å; L456-L471 HydrophobicContact CB-CD2 4.21Å; L456-L471 HydrophobicContact CD1-CB 3.99Å; L456-L471 HydrophobicContact CD1-CD1 4.48Å; L456-P473 HydrophobicContact CD2-CG 4.5Å; L456-C474 VanDerWaalsContact C-SG 3.59Å; L456-P551 HydrophobicContact CD1-CB 4.12Å
457	C	96.1	Very high	94.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	146.8	177	-79.8	0	0	0	0	110.5	I449 L471 A472 C474 Q485	I449-C457 CarbonylContact O-C 3.55Å; I449-C457 WeakPolarHBondContact O-CA 3.2Å; C457-L471 WeakPolarHBondContact O-CA 3.39Å; C457-A472 PolarHBondContact N-O 2.85Å; C457-A472 PolarHBondContact O-N 3.42Å; C457-C474 HydrophobicContact CB-CB 4.01Å; C457-C474 WeakPolarHBondContact CB-SG 3.45Å; C457-C474 PolarHBondContact N-SG 3.32Å; C457-C474 WeakPolarHBondContact SG-CB 3.43Å; C457-C474 CovalentContact SG-SG 2.04Å; C457-C474 PolarHBondContact SG-SG 2.96Å; C457-Q485 HydrophobicContact CB-CG 4.44Å
458	L	97.2	Very high	94.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	137.2	165.1	-165.5	73.6	0	0	0	109.1	I449 V469 E470 F487 L504 V556	I449-L458 HydrophobicContact CB-CB 3.93Å; I449-L458 HydrophobicContact CD1-CD2 3.9Å; I449-L458 HydrophobicContact CG2-CB 4.24Å; I449-L458 PolarHBondContact O-N 3.39Å; L458-V469 HydrophobicContact CD1-CB 4.12Å; L458-V469 HydrophobicContact CD1-CG2 3.95Å; L458-V469 HydrophobicContact CG-CB 4.46Å; L458-E470 CarbonylContact C-O 3.57Å; L458-E470 WeakPolarHBondContact CA-O 3.38Å; L458-F487 HydrophobicContact CB-CE2 4.14Å; L458-F487 HydrophobicContact CB-CZ 4.45Å; L458-F487 HydrophobicContact CD2-CE1 3.97Å; L458-F487 HydrophobicContact CD2-CE2 4.1Å; L458-F487 HydrophobicContact CD2-CZ 3.74Å; L458-F487 HydrophobicContact CG-CE2 4.19Å; L458-F487 HydrophobicContact CG-CZ 3.99Å; L458-F487 WeakPolarHBondContact O-CE2 3.37Å; L458-L504 HydrophobicContact CD2-CD1 3.74Å; L458-L504 HydrophobicContact CD2-CD2 4.39Å; L458-V556 HydrophobicContact CD1-CB 4.39Å; L458-V556 HydrophobicContact CD1-CG1 3.8Å; L458-V556 HydrophobicContact CD1-CG2 3.78Å
459	D	95.9	Very high	94.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	132	179.4	-153.8	-45.3	0	0	0	110.4	H461 E470 A472 Y483 E484 Q485	D459-H461 VanDerWaalsContact CG-CE1 3.47Å; D459-H461 WeakPolarHBondContact OD1-CA 3.44Å; D459-H461 IonicContact OD1-CD2 3.66Å; D459-H461 IonicContact OD1-CE1 3.97Å; D459-H461 IonicContact OD1-CG 2.67Å; D459-H461 PolarHBondContact OD1-N 2.85Å; D459-H461 IonicContact OD1-ND1 3.16Å; D459-H461 PolarHBondContact OD1-ND1 2.8Å; D459-H461 IonicContact OD2-CE1 3.55Å; D459-H461 IonicContact OD2-ND1 3.75Å; D459-E470 PolarHBondContact N-O 2.89Å; D459-E470 PolarHBondContact O-N 3.19Å; D459-A472 HydrophobicContact CB-CB 3.88Å; D459-Y483 WeakPolarHBondContact OD2-CB 3.37Å; D459-Y483 WeakPolarHBondContact OD2-CD1 3.44Å; D459-E484 WeakPolarHBondContact OD1-CA 3.45Å; D459-E484 PolarHBondContact OD1-N 2.79Å; D459-Q485 HydrophobicContact CB-CG 4.02Å; D459-Q485 WeakPolarHBondContact OD2-CG 3.49Å; D459-Q485 PolarHBondContact OD2-NE2 2.81Å
460	A	95.8	Very high	94.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.265	C	S	.	.			trans	-89.4	-13.8	175.4	0	0	0	0	0	112.8	F462 K463 V469 E484 F487 P497 L517	A460-F462 PolarHBondContact O-N 2.8Å; A460-K463 VanDerWaalsContact O-CB 3.25Å; A460-K463 WeakPolarHBondContact O-CB 3.33Å; A460-K463 WeakPolarHBondContact O-CG 3.44Å; A460-K463 PolarHBondContact O-N 3.41Å; A460-V469 HydrophobicContact CB-CG1 4.34Å; A460-E484 HydrophobicContact CB-CB 4.16Å; A460-E484 HydrophobicContact CB-CG 4.17Å; A460-E484 WeakPolarHBondContact CB-OE2 3.48Å; A460-E484 PolarHBondContact N-O 3.01Å; A460-E484 VanDerWaalsContact N-O 3.14Å; A460-F487 HydrophobicContact CB-CE1 4.45Å; A460-F487 HydrophobicContact CB-CZ 4.03Å; A460-P497 HydrophobicContact CB-CB 4.42Å; A460-P497 HydrophobicContact CB-CG 3.68Å; A460-L517 HydrophobicContact CB-CD1 3.99Å; A460-L517 HydrophobicContact CB-CD2 4.32Å
461	H	93.3	Very high	94.6	Very high	62 Å²	62	46.8 Å²	46.8	29%	0.287	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	26.5	178.3	-74	-55.4	0	0	0	114.9	D459 K463 E470 Y483	D459-H461 VanDerWaalsContact CG-CE1 3.47Å; D459-H461 WeakPolarHBondContact OD1-CA 3.44Å; D459-H461 IonicContact OD1-CD2 3.66Å; D459-H461 IonicContact OD1-CE1 3.97Å; D459-H461 IonicContact OD1-CG 2.67Å; D459-H461 PolarHBondContact OD1-N 2.85Å; D459-H461 IonicContact OD1-ND1 3.16Å; D459-H461 PolarHBondContact OD1-ND1 2.8Å; D459-H461 IonicContact OD2-CE1 3.55Å; D459-H461 IonicContact OD2-ND1 3.75Å; H461-K463 HydrophobicContact CB-CD 4.43Å; H461-K463 HydrophobicContact CB-CG 4.21Å; H461-K463 PolarHBondContact O-N 3.25Å; H461-K463 VanDerWaalsContact O-N 3.12Å; H461-E470 IonicContact CD2-OE2 2.84Å; H461-Y483 AromaticContact CE1-CD1 3.78Å
462	F	92.4	Very high	94.5	Very high	98 Å²	98	47 Å²	47	43%	0.43	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	20.6	-173.9	-57.3	-84.2	0	0	0	114.2	A460 R482 E484 R500	A460-F462 PolarHBondContact O-N 2.8Å; F462-R482 HydrophobicContact CD2-CB 4.2Å; F462-R482 HydrophobicContact CE2-CB 3.86Å; F462-E484 VanDerWaalsContact CA-OE2 3.24Å; F462-E484 WeakPolarHBondContact CA-OE2 3.48Å; F462-E484 HydrophobicContact CD1-CB 4.43Å; F462-E484 HydrophobicContact CD1-CG 4.26Å; F462-E484 WeakPolarHBondContact CD1-OE1 3.39Å; F462-E484 HydrophobicContact CD2-CB 4.02Å; F462-E484 HydrophobicContact CE1-CB 4.27Å; F462-E484 HydrophobicContact CE1-CG 4.03Å; F462-E484 HydrophobicContact CE2-CB 3.83Å; F462-E484 HydrophobicContact CE2-CG 4.47Å; F462-E484 HydrophobicContact CG-CB 4.32Å; F462-E484 HydrophobicContact CZ-CB 3.97Å; F462-E484 HydrophobicContact CZ-CG 4.14Å; F462-E484 PolarHBondContact N-OE2 3.31Å; F462-R500 PolarHBondContact O-NH2 3.48Å
463	K	94.2	Very high	94.5	Very high	35 Å²	35	47.6 Å²	47.6	15%	0.152	26%	0.257	C	S	.	.			trans	-59.8	149.9	178.9	-75.3	173.7	162.8	170.8	0	111.8	A460 H461 E467 R468 E470 R500 L517	A460-K463 VanDerWaalsContact O-CB 3.25Å; A460-K463 WeakPolarHBondContact O-CB 3.33Å; A460-K463 WeakPolarHBondContact O-CG 3.44Å; A460-K463 PolarHBondContact O-N 3.41Å; H461-K463 HydrophobicContact CB-CD 4.43Å; H461-K463 HydrophobicContact CB-CG 4.21Å; H461-K463 PolarHBondContact O-N 3.25Å; H461-K463 VanDerWaalsContact O-N 3.12Å; K463-E467 WeakPolarHBondContact CA-OE2 3.27Å; K463-E467 HydrophobicContact CB-CB 3.78Å; K463-E467 HydrophobicContact CB-CG 4.41Å; K463-E467 WeakPolarHBondContact CB-OE2 3.29Å; K463-E467 HydrophobicContact CD-CB 4.1Å; K463-E467 HydrophobicContact CG-CB 4.29Å; K463-R468 VanDerWaalsContact CD-O 3.25Å; K463-R468 WeakPolarHBondContact CD-O 3.44Å; K463-R468 PolarHBondContact NZ-O 3.33Å; K463-E470 IonicContact NZ-OE1 2.74Å; K463-E470 PolarHBondContact NZ-OE1 3.11Å; K463-E470 IonicContact NZ-OE2 2.67Å; K463-E470 PolarHBondContact NZ-OE2 2.84Å; K463-R500 PolarHBondContact O-NH2 3.14Å; K463-L517 HydrophobicContact CB-CD1 4Å; K463-L517 WeakPolarHBondContact O-CD1 3.41Å
464	A	92.1	Very high	94.6	Very high	53 Å²	53	45 Å²	45	44%	0.438	24%	0.242	S	C	.	.			trans	-72.1	176.6	177.6	0	0	0	0	0	111.9	E467	A464-E467 WeakPolarHBondContact CB-OE2 3.31Å; A464-E467 PolarHBondContact N-OE2 2.84Å; A464-E467 WeakPolarHBondContact O-CB 3.42Å; A464-E467 PolarHBondContact O-N 2.74Å
465	A	89.6	Confident	94.3	Very high	44 Å²	44	44.8 Å²	44.8	36%	0.364	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	150.2	172.3	0	0	0	0	0	111	E467 F502 L517	A465-E467 PolarHBondContact O-N 3.47Å; A465-F502 HydrophobicContact CB-CD1 4.35Å; A465-F502 HydrophobicContact CB-CE1 3.81Å; A465-F502 HydrophobicContact CB-CZ 4.32Å; A465-L517 CarbonylContact C-O 3.6Å; A465-L517 WeakPolarHBondContact CA-O 3.24Å
466	M	92.6	Very high	93.5	Very high	120 Å²	120	50 Å²	50	59%	0.591	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	0.4	-176.8	-54.9	-65.2	-72.2	0	0	115.6	I516 L517 Y518	M466-I516 HydrophobicContact CE-CD1 4.44Å; M466-I516 HydrophobicContact SD-CD1 4.03Å; M466-L517 PolarHBondContact N-O 3.32Å; M466-Y518 HydrophobicContact CG-CD2 4.47Å; M466-Y518 HydrophobicContact CG-CE2 4.47Å; M466-Y518 HydrophobicContact SD-CD2 3.44Å; M466-Y518 WeakPolarHBondContact SD-CD2 3.4Å; M466-Y518 HydrophobicContact SD-CE2 3.44Å; M466-Y518 WeakPolarHBondContact SD-CE2 3.25Å
467	E	96.5	Very high	92.1	Very high	85 Å²	85	51.9 Å²	51.9	40%	0.397	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-90.9	150.3	176.4	-62.8	-164.8	92.7	0	0	112.1	K463 A464 A465 I516 L517	K463-E467 WeakPolarHBondContact CA-OE2 3.27Å; K463-E467 HydrophobicContact CB-CB 3.78Å; K463-E467 HydrophobicContact CB-CG 4.41Å; K463-E467 WeakPolarHBondContact CB-OE2 3.29Å; K463-E467 HydrophobicContact CD-CB 4.1Å; K463-E467 HydrophobicContact CG-CB 4.29Å; A464-E467 WeakPolarHBondContact CB-OE2 3.31Å; A464-E467 PolarHBondContact N-OE2 2.84Å; A464-E467 WeakPolarHBondContact O-CB 3.42Å; A464-E467 PolarHBondContact O-N 2.74Å; A465-E467 PolarHBondContact O-N 3.47Å; E467-I516 CarbonylContact O-C 3.59Å; E467-I516 VanDerWaalsContact O-CA 3.23Å; E467-I516 WeakPolarHBondContact O-CA 3.38Å; E467-I516 WeakPolarHBondContact O-CB 3.44Å; E467-L517 PolarHBondContact O-N 3.2Å
468	R	96.8	Very high	90.3	Very high	154 Å²	154	60.6 Å²	60.6	58%	0.581	33%	0.33	S	S	*	.	B	Isolated β-bridge	trans	-78.4	137.3	-177.2	-58.4	176.3	-176.7	179.4	-0.9	111.4	K463 P514 V515 I516	K463-R468 VanDerWaalsContact CD-O 3.25Å; K463-R468 WeakPolarHBondContact CD-O 3.44Å; K463-R468 PolarHBondContact NZ-O 3.33Å; R468-P514 HydrophobicContact CG-CB 3.94Å; R468-P514 HydrophobicContact CG-CG 4.29Å; R468-V515 WeakPolarHBondContact CA-O 3.09Å; R468-I516 HydrophobicContact CG-CG2 4.07Å
469	V	96.7	Very high	88.8	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.012	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-75.8	150.6	165.9	-69.8	0	0	0	0	110.5	L458 A460 L504 V515 L517 V556	L458-V469 HydrophobicContact CD1-CB 4.12Å; L458-V469 HydrophobicContact CD1-CG2 3.95Å; L458-V469 HydrophobicContact CG-CB 4.46Å; A460-V469 HydrophobicContact CB-CG1 4.34Å; V469-L504 HydrophobicContact CB-CD2 4.35Å; V469-L504 HydrophobicContact CG1-CD2 3.6Å; V469-L504 HydrophobicContact CG2-CD2 3.93Å; V469-V515 HydrophobicContact CG2-CB 3.8Å; V469-V515 HydrophobicContact CG2-CG1 3.82Å; V469-V515 WeakPolarHBondContact CG2-O 3.38Å; V469-V515 PolarHBondContact N-O 3.35Å; V469-V515 VanDerWaalsContact N-O 3.07Å; V469-L517 HydrophobicContact CG1-CD1 4.38Å; V469-L517 HydrophobicContact CG1-CD2 3.74Å; V469-L517 HydrophobicContact CG1-CG 3.77Å; V469-V556 HydrophobicContact CG2-CG2 3.66Å
470	E	96.5	Very high	87.3	Confident	72 Å²	72	76.3 Å²	76.3	34%	0.336	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	173.8	-169.9	-77.4	170.6	-177.8	0	0	111.6	L458 D459 H461 K463 N554	L458-E470 CarbonylContact C-O 3.57Å; L458-E470 WeakPolarHBondContact CA-O 3.38Å; D459-E470 PolarHBondContact N-O 2.89Å; D459-E470 PolarHBondContact O-N 3.19Å; H461-E470 IonicContact CD2-OE2 2.84Å; K463-E470 IonicContact NZ-OE1 2.74Å; K463-E470 PolarHBondContact NZ-OE1 3.11Å; K463-E470 IonicContact NZ-OE2 2.67Å; K463-E470 PolarHBondContact NZ-OE2 2.84Å; E470-N554 WeakPolarHBondContact CA-O 3.3Å; E470-N554 WeakPolarHBondContact CB-O 3.13Å
471	L	96.8	Very high	86.1	Confident	4 Å²	4	83.4 Å²	83.4	2%	0.021	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	136.5	169.8	-67.5	167.2	0	0	0	110.3	L456 C457 A549 N554 S555 V556 W570	L456-L471 HydrophobicContact CB-CB 4.11Å; L456-L471 HydrophobicContact CB-CD2 4.21Å; L456-L471 HydrophobicContact CD1-CB 3.99Å; L456-L471 HydrophobicContact CD1-CD1 4.48Å; C457-L471 WeakPolarHBondContact O-CA 3.39Å; L471-A549 HydrophobicContact CD1-CB 3.74Å; L471-N554 HydrophobicContact CB-CB 4.47Å; L471-N554 PolarHBondContact N-O 3.5Å; L471-N554 WeakPolarHBondContact O-CB 3.27Å; L471-S555 WeakPolarHBondContact CD1-O 2.97Å; L471-V556 HydrophobicContact CD1-CG1 4.2Å; L471-V556 HydrophobicContact CD2-CG1 3.96Å; L471-V556 HydrophobicContact CG-CG1 3.82Å; L471-W570 HydrophobicContact CD2-CH2 3.92Å; L471-W570 HydrophobicContact CD2-CZ3 4.01Å
472	A	95.1	Very high	85.5	Confident	5 Å²	5	90.6 Å²	90.6	4%	0.041	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	160.7	174.2	0	0	0	0	0	110.8	C457 D459 C474 Y483	C457-A472 PolarHBondContact N-O 2.85Å; C457-A472 PolarHBondContact O-N 3.42Å; D459-A472 HydrophobicContact CB-CB 3.88Å; A472-C474 PolarHBondContact O-N 3.02Å; A472-Y483 HydrophobicContact CB-CD1 4.17Å; A472-Y483 HydrophobicContact CB-CE1 4.03Å
473	P	93.2	Very high	85.3	Confident	80 Å²	80	89 Å²	89	52%	0.519	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	131.7	169.9	-26.7	35.5	0	0	0	110.9	L456 V475 Q485	L456-P473 HydrophobicContact CD2-CG 4.5Å; P473-V475 PolarHBondContact O-N 3.18Å; P473-Q485 PolarHBondContact O-NE2 2.79Å
474	C	92.4	Very high	85.2	Confident	39 Å²	39	88 Å²	88	26%	0.264	44%	0.44	S	S	.	.			trans	-63.8	128.2	178.4	-67.8	0	0	0	0	110.5	G455 L456 C457 A472	G455-C474 PolarHBondContact O-SG 3.36Å; L456-C474 VanDerWaalsContact C-SG 3.59Å; C457-C474 HydrophobicContact CB-CB 4.01Å; C457-C474 WeakPolarHBondContact CB-SG 3.45Å; C457-C474 PolarHBondContact N-SG 3.32Å; C457-C474 WeakPolarHBondContact SG-CB 3.43Å; C457-C474 CovalentContact SG-SG 2.04Å; C457-C474 PolarHBondContact SG-SG 2.96Å; A472-C474 PolarHBondContact O-N 3.02Å
475	V	88.3	Confident	85.3	Confident	36 Å²	36	85.9 Å²	85.9	22%	0.218	42%	0.421	C	S	.	.			trans	-111.4	142.2	-179.7	-111.9	0	0	0	0	113.2	P473 V479 Y483	P473-V475 PolarHBondContact O-N 3.18Å; V475-V479 HydrophobicContact CB-CG2 3.72Å; V475-V479 HydrophobicContact CG1-CB 4.09Å; V475-V479 HydrophobicContact CG1-CG1 3.67Å; V475-V479 HydrophobicContact CG1-CG2 3.32Å; V475-V479 HydrophobicContact CG2-CG2 4.24Å; V475-Y483 HydrophobicContact CB-CD2 4.42Å; V475-Y483 HydrophobicContact CG1-CD2 4.31Å; V475-Y483 HydrophobicContact CG1-CE2 4.25Å; V475-Y483 HydrophobicContact CG2-CD1 4Å; V475-Y483 HydrophobicContact CG2-CD2 3.5Å; V475-Y483 VanDerWaalsContact CG2-CD2 3.5Å; V475-Y483 HydrophobicContact CG2-CE1 4.49Å; V475-Y483 HydrophobicContact CG2-CE2 4.03Å; V475-Y483 HydrophobicContact CG2-CG 3.46Å; V475-Y483 VanDerWaalsContact CG2-CG 3.46Å
476	K	76	Confident	85.4	Confident	128 Å²	128	87.5 Å²	87.5	56%	0.557	42%	0.421	S	S	*	.			trans	-116.9	126.8	172	-68.4	-178.3	177.3	179	0	108.3	L575	K476-L575 HydrophobicContact CG-CD1 3.89Å
477	G	67.2	Low	85.6	Confident	72 Å²	72	81.8 Å²	81.8	74%	0.742	39%	0.393	S	S	*	.	S	Bend	trans	80.3	-164.1	173.4	0	0	0	0	0	115.4	V479	G477-V479 PolarHBondContact O-N 2.76Å
478	N	58.6	Low	85.5	Confident	183 Å²	183	79.1 Å²	79.1	98%	0.979	38%	0.38	S	S	*	.			trans	-81.6	101.8	-178	-104.2	-14.2	0	0	0	110.7
479	V	65.9	Low	85.4	Confident	68 Å²	68	72.7 Å²	72.7	41%	0.412	36%	0.356	S	S	.	.			trans	-96.3	147.3	173.8	-122.8	0	0	0	0	109.8	V475 G477 K481 Y483	V475-V479 HydrophobicContact CB-CG2 3.72Å; V475-V479 HydrophobicContact CG1-CB 4.09Å; V475-V479 HydrophobicContact CG1-CG1 3.67Å; V475-V479 HydrophobicContact CG1-CG2 3.32Å; V475-V479 HydrophobicContact CG2-CG2 4.24Å; G477-V479 PolarHBondContact O-N 2.76Å; V479-K481 PolarHBondContact O-N 2.76Å; V479-Y483 HydrophobicContact CB-CD2 4.39Å; V479-Y483 HydrophobicContact CB-CE2 4.43Å; V479-Y483 HydrophobicContact CG2-CD2 3.99Å; V479-Y483 HydrophobicContact CG2-CE2 4.41Å
480	R	63.9	Low	85.2	Confident	262 Å²	262	73.4 Å²	73.4	99%	0.989	36%	0.36	S	S	*	.	S	Bend	trans	-60.1	-32.5	175.8	-77.1	-175.7	177.4	174.6	-0.5	113.2
481	K	69.4	Low	84.8	Confident	150 Å²	150	72.4 Å²	72.4	65%	0.652	36%	0.364	S	S	*	.	S	Bend	trans	-84.3	137.5	173.8	-80.8	-175.6	177.9	-177.5	0	109.9	V479 Y483	V479-K481 PolarHBondContact O-N 2.76Å; K481-Y483 HydrophobicContact CB-CD2 4.02Å; K481-Y483 HydrophobicContact CB-CE2 3.46Å; K481-Y483 VanDerWaalsContact CB-CE2 3.46Å; K481-Y483 WeakPolarHBondContact O-CD2 3.29Å; K481-Y483 PolarHBondContact O-N 2.84Å
482	R	80.6	Confident	84.4	Confident	213 Å²	213	75.5 Å²	75.5	80%	0.804	38%	0.378	S	S	*	.			trans	-77	112.4	175	-80	-173.6	173.8	179.1	-1.4	109.8	F462	F462-R482 HydrophobicContact CD2-CB 4.2Å; F462-R482 HydrophobicContact CE2-CB 3.86Å
483	Y	88.3	Confident	84.3	Confident	63 Å²	63	80.4 Å²	80.4	25%	0.247	40%	0.398	C	S	.	.			trans	-114.8	143.2	173.5	-66.7	-86	0	0	0	109.2	D459 H461 A472 V475 V479 K481	D459-Y483 WeakPolarHBondContact OD2-CB 3.37Å; D459-Y483 WeakPolarHBondContact OD2-CD1 3.44Å; H461-Y483 AromaticContact CE1-CD1 3.78Å; A472-Y483 HydrophobicContact CB-CD1 4.17Å; A472-Y483 HydrophobicContact CB-CE1 4.03Å; V475-Y483 HydrophobicContact CB-CD2 4.42Å; V475-Y483 HydrophobicContact CG1-CD2 4.31Å; V475-Y483 HydrophobicContact CG1-CE2 4.25Å; V475-Y483 HydrophobicContact CG2-CD1 4Å; V475-Y483 HydrophobicContact CG2-CD2 3.5Å; V475-Y483 VanDerWaalsContact CG2-CD2 3.5Å; V475-Y483 HydrophobicContact CG2-CE1 4.49Å; V475-Y483 HydrophobicContact CG2-CE2 4.03Å; V475-Y483 HydrophobicContact CG2-CG 3.46Å; V475-Y483 VanDerWaalsContact CG2-CG 3.46Å; V479-Y483 HydrophobicContact CB-CD2 4.39Å; V479-Y483 HydrophobicContact CB-CE2 4.43Å; V479-Y483 HydrophobicContact CG2-CD2 3.99Å; V479-Y483 HydrophobicContact CG2-CE2 4.41Å; K481-Y483 HydrophobicContact CB-CD2 4.02Å; K481-Y483 HydrophobicContact CB-CE2 3.46Å; K481-Y483 VanDerWaalsContact CB-CE2 3.46Å; K481-Y483 WeakPolarHBondContact O-CD2 3.29Å; K481-Y483 PolarHBondContact O-N 2.84Å
484	E	92.5	Very high	84.4	Confident	15 Å²	15	77.1 Å²	77.1	7%	0.07	38%	0.376	C	S	.	.			trans	-120.4	68.6	-179.7	-164.9	179.6	-141.7	0	0	109.5	D459 A460 F462 P497 R500	D459-E484 WeakPolarHBondContact OD1-CA 3.45Å; D459-E484 PolarHBondContact OD1-N 2.79Å; A460-E484 HydrophobicContact CB-CB 4.16Å; A460-E484 HydrophobicContact CB-CG 4.17Å; A460-E484 WeakPolarHBondContact CB-OE2 3.48Å; A460-E484 PolarHBondContact N-O 3.01Å; A460-E484 VanDerWaalsContact N-O 3.14Å; F462-E484 VanDerWaalsContact CA-OE2 3.24Å; F462-E484 WeakPolarHBondContact CA-OE2 3.48Å; F462-E484 HydrophobicContact CD1-CB 4.43Å; F462-E484 HydrophobicContact CD1-CG 4.26Å; F462-E484 WeakPolarHBondContact CD1-OE1 3.39Å; F462-E484 HydrophobicContact CD2-CB 4.02Å; F462-E484 HydrophobicContact CE1-CB 4.27Å; F462-E484 HydrophobicContact CE1-CG 4.03Å; F462-E484 HydrophobicContact CE2-CB 3.83Å; F462-E484 HydrophobicContact CE2-CG 4.47Å; F462-E484 HydrophobicContact CG-CB 4.32Å; F462-E484 HydrophobicContact CZ-CB 3.97Å; F462-E484 HydrophobicContact CZ-CG 4.14Å; F462-E484 PolarHBondContact N-OE2 3.31Å; E484-P497 HydrophobicContact CG-CB 3.96Å; E484-R500 VanDerWaalsContact OE1-CD 3.3Å; E484-R500 WeakPolarHBondContact OE1-CD 3.35Å; E484-R500 WeakPolarHBondContact OE1-CG 3.28Å; E484-R500 IonicContact OE1-NE 3.15Å
485	Q	94.1	Very high	84.7	Confident	9 Å²	9	75.3 Å²	75.3	4%	0.042	36%	0.363	C	S	.	.			trans	-103.6	-0.3	-171.8	-60.4	-176.5	-3	0	0	114.4	N448 C457 D459 P473 F487	N448-Q485 WeakPolarHBondContact CA-O 3.47Å; C457-Q485 HydrophobicContact CB-CG 4.44Å; D459-Q485 HydrophobicContact CB-CG 4.02Å; D459-Q485 WeakPolarHBondContact OD2-CG 3.49Å; D459-Q485 PolarHBondContact OD2-NE2 2.81Å; P473-Q485 PolarHBondContact O-NE2 2.79Å; Q485-F487 WeakPolarHBondContact O-CD2 3.44Å
486	H	92.9	Very high	85	Confident	78 Å²	78	75.7 Å²	75.7	36%	0.361	36%	0.362	S	S	.	.			trans	-92.1	105.9	179.6	-160.8	140.1	0	0	0	109.2	K498	H486-K498 HydrophobicContact CB-CB 4.35Å; H486-K498 WeakPolarHBondContact O-CB 3.49Å; H486-K498 PolarHBondContact O-N 3.3Å
487	F	95.6	Very high	85.9	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	158.3	179.1	-68.6	-97.1	0	0	0	111.9	E446 G447 I449 L458 A460 Q485 I495 K496 P497 L504 F572	E446-F487 WeakPolarHBondContact CA-O 3.08Å; G447-F487 PolarHBondContact N-O 3.5Å; G447-F487 PolarHBondContact O-N 3.14Å; I449-F487 HydrophobicContact CD1-CB 3.8Å; I449-F487 HydrophobicContact CD1-CD1 4.24Å; I449-F487 HydrophobicContact CD1-CD2 4.11Å; I449-F487 HydrophobicContact CD1-CG 3.79Å; I449-F487 HydrophobicContact CG1-CB 4.17Å; I449-F487 HydrophobicContact CG1-CD2 4.33Å; I449-F487 HydrophobicContact CG1-CG 4.35Å; L458-F487 HydrophobicContact CB-CE2 4.14Å; L458-F487 HydrophobicContact CB-CZ 4.45Å; L458-F487 HydrophobicContact CD2-CE1 3.97Å; L458-F487 HydrophobicContact CD2-CE2 4.1Å; L458-F487 HydrophobicContact CD2-CZ 3.74Å; L458-F487 HydrophobicContact CG-CE2 4.19Å; L458-F487 HydrophobicContact CG-CZ 3.99Å; L458-F487 WeakPolarHBondContact O-CE2 3.37Å; A460-F487 HydrophobicContact CB-CE1 4.45Å; A460-F487 HydrophobicContact CB-CZ 4.03Å; Q485-F487 WeakPolarHBondContact O-CD2 3.44Å; F487-I495 HydrophobicContact CB-CG2 4.33Å; F487-I495 HydrophobicContact CD1-CG2 4Å; F487-I495 HydrophobicContact CG-CG2 4.5Å; F487-K496 CarbonylContact C-O 3.54Å; F487-K496 VanDerWaalsContact CA-O 3.27Å; F487-K496 WeakPolarHBondContact CA-O 3.39Å; F487-P497 HydrophobicContact CD1-CG 4.25Å; F487-P497 HydrophobicContact CE1-CB 4.35Å; F487-P497 HydrophobicContact CE1-CG 3.78Å; F487-P497 HydrophobicContact CZ-CG 4.42Å; F487-L504 HydrophobicContact CE1-CD2 4.2Å; F487-F572 HydrophobicContact CB-CE2 3.82Å; F487-F572 HydrophobicContact CB-CZ 3.62Å
488	Q	94.6	Very high	87	Confident	29 Å²	29	70.8 Å²	70.8	14%	0.136	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129	173.8	-67.2	-179.2	-60.4	0	0	109	E446 I495 K496 K498	E446-Q488 HydrophobicContact CG-CG 4.06Å; E446-Q488 PolarHBondContact OE1-NE2 3.11Å; Q488-I495 WeakPolarHBondContact O-CA 3.11Å; Q488-K496 HydrophobicContact CB-CG 4.35Å; Q488-K496 PolarHBondContact N-O 3.05Å; Q488-K496 PolarHBondContact O-N 2.78Å; Q488-K498 HydrophobicContact CG-CB 4.05Å; Q488-K498 HydrophobicContact CG-CD 4.48Å; Q488-K498 HydrophobicContact CG-CG 4.17Å
489	Y	95.3	Very high	88.3	Confident	18 Å²	18	65.6 Å²	65.6	7%	0.071	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	105.9	163.8	-174	-136.9	0	0	0	108.4	S443 L444 I445 K493 E494 I495 W529 F572	S443-Y489 CarbonylContact C-O 3.5Å; S443-Y489 WeakPolarHBondContact CA-O 3.12Å; S443-Y489 WeakPolarHBondContact CB-O 3.19Å; L444-Y489 HydrophobicContact CB-CD1 3.77Å; L444-Y489 HydrophobicContact CB-CE1 4.36Å; L444-Y489 HydrophobicContact CD1-CD1 3.83Å; L444-Y489 HydrophobicContact CD1-CE1 3.62Å; L444-Y489 HydrophobicContact CG-CD1 4.39Å; L444-Y489 PolarHBondContact N-O 3.09Å; I445-Y489 HydrophobicContact CD1-CD1 4.33Å; I445-Y489 HydrophobicContact CG1-CD1 4.38Å; I445-Y489 PolarHBondContact N-O 3.42Å; I445-Y489 PolarHBondContact O-N 3.01Å; Y489-K493 HydrophobicContact CE2-CB 4.02Å; Y489-E494 CarbonylContact C-O 3.51Å; Y489-E494 WeakPolarHBondContact CA-O 3.45Å; Y489-E494 WeakPolarHBondContact CD2-O 3.09Å; Y489-I495 HydrophobicContact CD2-CG1 3.81Å; Y489-I495 HydrophobicContact CE2-CG1 4.4Å; Y489-W529 HydrophobicContact CE2-CB 4.21Å; Y489-W529 PolarHBondContact OH-O 2.69Å; Y489-F572 HydrophobicContact CG-CE1 4.48Å
490	T	91.7	Very high	89.3	Confident	17 Å²	17	65.6 Å²	65.6	10%	0.104	30%	0.303	C	S	.	.			trans	-78.7	164.7	-168.9	74.3	0	0	0	0	112	L444 K492 K493 E494 K496	L444-T490 WeakPolarHBondContact CD1-O 3.38Å; T490-K492 PolarHBondContact O-N 3.08Å; T490-K492 PolarHBondContact OG1-N 2.9Å; T490-K493 WeakPolarHBondContact O-CA 3.31Å; T490-K493 PolarHBondContact O-N 3.34Å; T490-E494 HydrophobicContact CG2-CB 4.43Å; T490-E494 PolarHBondContact N-O 2.87Å; T490-E494 PolarHBondContact OG1-N 3.4Å; T490-K496 HydrophobicContact CG2-CD 4Å; T490-K496 HydrophobicContact CG2-CG 3.99Å
491	A	88.6	Confident	90.4	Very high	51 Å²	51	57 Å²	57	42%	0.421	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.8	171.2	0	0	0	0	0	113.2	P441 K493	P441-A491 HydrophobicContact CB-CB 3.73Å; P441-A491 HydrophobicContact CG-CB 4.34Å; A491-K493 PolarHBondContact O-N 2.86Å
492	K	88.6	Confident	91.6	Very high	69 Å²	69	51.7 Å²	51.7	30%	0.3	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	2.8	172.1	-65.8	178	-179.8	168.6	0	113	K435 T490 E494	K435-K492 PolarHBondContact O-NZ 3.49Å; T490-K492 PolarHBondContact O-N 3.08Å; T490-K492 PolarHBondContact OG1-N 2.9Å; K492-E494 VanDerWaalsContact C-N 3.27Å; K492-E494 HydrophobicContact CB-CG 4.19Å; K492-E494 PolarHBondContact O-N 2.95Å
493	K	93.8	Very high	92.3	Very high	108 Å²	108	41.6 Å²	41.6	47%	0.47	22%	0.222	S	C	.	.	S	Bend	trans	62.6	32.2	-177.4	-57.5	-178.4	-178.7	176.8	0	113.3	Y489 T490 A491 L528 W529	Y489-K493 HydrophobicContact CE2-CB 4.02Å; T490-K493 WeakPolarHBondContact O-CA 3.31Å; T490-K493 PolarHBondContact O-N 3.34Å; A491-K493 PolarHBondContact O-N 2.86Å; K493-L528 HydrophobicContact CB-CD1 3.77Å; K493-L528 HydrophobicContact CD-CD1 4.24Å; K493-W529 WeakPolarHBondContact CB-O 3.45Å; K493-W529 PolarHBondContact O-N 3.45Å
494	E	95.2	Very high	92.8	Very high	11 Å²	11	38.6 Å²	38.6	5%	0.051	21%	0.21	C	C	.	.			trans	-97.1	152.6	172.1	-59.7	160.6	151.5	0	0	109.2	Y489 T490 K492 G522 Q527	Y489-E494 CarbonylContact C-O 3.51Å; Y489-E494 WeakPolarHBondContact CA-O 3.45Å; Y489-E494 WeakPolarHBondContact CD2-O 3.09Å; T490-E494 HydrophobicContact CG2-CB 4.43Å; T490-E494 PolarHBondContact N-O 2.87Å; T490-E494 PolarHBondContact OG1-N 3.4Å; K492-E494 VanDerWaalsContact C-N 3.27Å; K492-E494 HydrophobicContact CB-CG 4.19Å; K492-E494 PolarHBondContact O-N 2.95Å; E494-G522 WeakPolarHBondContact OE1-CA 3.36Å; E494-G522 PolarHBondContact OE1-N 2.9Å; E494-Q527 HydrophobicContact CG-CB 4.48Å
495	I	97.2	Very high	93	Very high	1 Å²	1	38 Å²	38	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.4	171.3	-59	175.4	0	0	0	107.8	I449 F487 Q488 Y489 C503 L504 W529 I538 F572	I449-I495 HydrophobicContact CD1-CG2 3.66Å; F487-I495 HydrophobicContact CB-CG2 4.33Å; F487-I495 HydrophobicContact CD1-CG2 4Å; F487-I495 HydrophobicContact CG-CG2 4.5Å; Q488-I495 WeakPolarHBondContact O-CA 3.11Å; Y489-I495 HydrophobicContact CD2-CG1 3.81Å; Y489-I495 HydrophobicContact CE2-CG1 4.4Å; I495-C503 CarbonylContact O-C 3.57Å; I495-C503 WeakPolarHBondContact O-CA 3.02Å; I495-L504 HydrophobicContact CB-CB 4.32Å; I495-L504 HydrophobicContact CB-CD1 3.83Å; I495-L504 HydrophobicContact CB-CG 4.04Å; I495-L504 HydrophobicContact CD1-CD1 4.46Å; I495-L504 HydrophobicContact CG2-CD1 3.47Å; I495-L504 VanDerWaalsContact CG2-CD1 3.47Å; I495-L504 HydrophobicContact CG2-CG 3.9Å; I495-L504 PolarHBondContact O-N 3.44Å; I495-W529 HydrophobicContact CD1-CB 3.8Å; I495-W529 HydrophobicContact CD1-CD2 4.01Å; I495-W529 HydrophobicContact CD1-CE3 4.42Å; I495-W529 HydrophobicContact CD1-CG 3.73Å; I495-W529 HydrophobicContact CG1-CB 3.94Å; I495-W529 HydrophobicContact CG1-CG 3.87Å; I495-I538 HydrophobicContact CD1-CG2 3.82Å; I495-F572 HydrophobicContact CD1-CE1 4.32Å; I495-F572 HydrophobicContact CG1-CE1 4.23Å; I495-F572 HydrophobicContact CG2-CE1 4.08Å; I495-F572 HydrophobicContact CG2-CZ 4.28Å
496	K	95.3	Very high	93.1	Very high	45 Å²	45	37.9 Å²	37.9	20%	0.196	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	151.3	-179.8	51	177.7	-106	172.1	0	112.6	F487 Q488 T490 R500 F502	F487-K496 CarbonylContact C-O 3.54Å; F487-K496 VanDerWaalsContact CA-O 3.27Å; F487-K496 WeakPolarHBondContact CA-O 3.39Å; Q488-K496 HydrophobicContact CB-CG 4.35Å; Q488-K496 PolarHBondContact N-O 3.05Å; Q488-K496 PolarHBondContact O-N 2.78Å; T490-K496 HydrophobicContact CG2-CD 4Å; T490-K496 HydrophobicContact CG2-CG 3.99Å; K496-R500 WeakPolarHBondContact CE-O 3.42Å; K496-R500 PolarHBondContact NZ-O 2.78Å; K496-F502 WeakPolarHBondContact CB-O 3.35Å
497	P	95	Very high	93.1	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	140.8	167.6	-13.8	27.2	0	0	0	110.4	A460 E484 F487 G499 R500 F502 L517	A460-P497 HydrophobicContact CB-CB 4.42Å; A460-P497 HydrophobicContact CB-CG 3.68Å; E484-P497 HydrophobicContact CG-CB 3.96Å; F487-P497 HydrophobicContact CD1-CG 4.25Å; F487-P497 HydrophobicContact CE1-CB 4.35Å; F487-P497 HydrophobicContact CE1-CG 3.78Å; F487-P497 HydrophobicContact CZ-CG 4.42Å; P497-G499 PolarHBondContact O-N 3.37Å; P497-R500 HydrophobicContact CB-CB 4.18Å; P497-R500 HydrophobicContact CB-CG 3.88Å; P497-R500 HydrophobicContact CG-CB 4.44Å; P497-R500 HydrophobicContact CG-CG 4.38Å; P497-R500 PolarHBondContact O-N 3.46Å; P497-R500 VanDerWaalsContact O-N 3.14Å; P497-F502 VanDerWaalsContact CD-O 3.29Å; P497-F502 WeakPolarHBondContact CD-O 3.44Å; P497-L517 HydrophobicContact CG-CD2 4.13Å
498	K	90.1	Very high	93	Very high	97 Å²	97	41.6 Å²	41.6	42%	0.422	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	126.7	-176.6	-176.5	164.8	-176.9	161	0	110.2	E446 H486 Q488 R500	E446-K498 IonicContact OE2-NZ 3.31Å; E446-K498 PolarHBondContact OE2-NZ 2.95Å; H486-K498 HydrophobicContact CB-CB 4.35Å; H486-K498 WeakPolarHBondContact O-CB 3.49Å; H486-K498 PolarHBondContact O-N 3.3Å; Q488-K498 HydrophobicContact CG-CB 4.05Å; Q488-K498 HydrophobicContact CG-CD 4.48Å; Q488-K498 HydrophobicContact CG-CG 4.17Å; K498-R500 VanDerWaalsContact C-N 3.31Å; K498-R500 PolarHBondContact O-N 3.43Å
499	G	85.1	Confident	92.7	Very high	74 Å²	74	44.8 Å²	44.8	76%	0.763	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	2.3	-179.6	0	0	0	0	0	115.4	P497	P497-G499 PolarHBondContact O-N 3.37Å
500	R	87.8	Confident	92.5	Very high	67 Å²	67	49.9 Å²	49.9	25%	0.253	28%	0.278	S	S	.	.			trans	-100	154.8	175.3	-62.4	-81.4	-80.5	179.9	-4.8	111.5	F462 K463 E484 K496 P497 K498 F502	F462-R500 PolarHBondContact O-NH2 3.48Å; K463-R500 PolarHBondContact O-NH2 3.14Å; E484-R500 VanDerWaalsContact OE1-CD 3.3Å; E484-R500 WeakPolarHBondContact OE1-CD 3.35Å; E484-R500 WeakPolarHBondContact OE1-CG 3.28Å; E484-R500 IonicContact OE1-NE 3.15Å; K496-R500 WeakPolarHBondContact CE-O 3.42Å; K496-R500 PolarHBondContact NZ-O 2.78Å; P497-R500 HydrophobicContact CB-CB 4.18Å; P497-R500 HydrophobicContact CB-CG 3.88Å; P497-R500 HydrophobicContact CG-CB 4.44Å; P497-R500 HydrophobicContact CG-CG 4.38Å; P497-R500 PolarHBondContact O-N 3.46Å; P497-R500 VanDerWaalsContact O-N 3.14Å; K498-R500 VanDerWaalsContact C-N 3.31Å; K498-R500 PolarHBondContact O-N 3.43Å; R500-F502 VanDerWaalsContact C-N 3.31Å
501	S	86.9	Confident	92.6	Very high	81 Å²	81	55.4 Å²	55.4	57%	0.566	30%	0.301	S	S	*	.	S	Bend	trans	-93.8	15.5	171	50.5	0	0	0	0	112.8	C520	S501-C520 PolarHBondContact O-N 3.47Å; S501-C520 PolarHBondContact O-SG 3.1Å
502	F	94	Very high	92.8	Very high	40 Å²	40	58.9 Å²	58.9	18%	0.175	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	138.4	175.7	-58.7	-56.2	0	0	0	111.6	A465 K496 P497 R500 L517 Y518	A465-F502 HydrophobicContact CB-CD1 4.35Å; A465-F502 HydrophobicContact CB-CE1 3.81Å; A465-F502 HydrophobicContact CB-CZ 4.32Å; K496-F502 WeakPolarHBondContact CB-O 3.35Å; P497-F502 VanDerWaalsContact CD-O 3.29Å; P497-F502 WeakPolarHBondContact CD-O 3.44Å; R500-F502 VanDerWaalsContact C-N 3.31Å; F502-L517 HydrophobicContact CB-CB 4.18Å; F502-L517 HydrophobicContact CB-CD2 4.29Å; F502-Y518 CarbonylContact C-O 3.54Å; F502-Y518 WeakPolarHBondContact CA-O 3.48Å
503	C	96.2	Very high	93.2	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	153.4	178.3	-77.3	0	0	0	0	109.5	I495 D505 Y518 C520 Q527	I495-C503 CarbonylContact O-C 3.57Å; I495-C503 WeakPolarHBondContact O-CA 3.02Å; C503-D505 PolarHBondContact O-N 3.02Å; C503-Y518 PolarHBondContact N-O 2.85Å; C503-Y518 PolarHBondContact O-N 3.29Å; C503-C520 VanDerWaalsContact CA-SG 3.58Å; C503-C520 HydrophobicContact CB-CB 4.06Å; C503-C520 WeakPolarHBondContact CB-SG 3.44Å; C503-C520 PolarHBondContact N-SG 3.26Å; C503-C520 WeakPolarHBondContact SG-CB 3.4Å; C503-C520 CovalentContact SG-SG 2.04Å; C503-C520 PolarHBondContact SG-SG 3.36Å; C503-Q527 HydrophobicContact CB-CG 4.24Å
504	L	97.7	Very high	93.3	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	127.3	168.2	-63	-169.9	0	0	0	109.1	L458 V469 F487 I495 V515 I516 L517 W529	L458-L504 HydrophobicContact CD2-CD1 3.74Å; L458-L504 HydrophobicContact CD2-CD2 4.39Å; V469-L504 HydrophobicContact CB-CD2 4.35Å; V469-L504 HydrophobicContact CG1-CD2 3.6Å; V469-L504 HydrophobicContact CG2-CD2 3.93Å; F487-L504 HydrophobicContact CE1-CD2 4.2Å; I495-L504 HydrophobicContact CB-CB 4.32Å; I495-L504 HydrophobicContact CB-CD1 3.83Å; I495-L504 HydrophobicContact CB-CG 4.04Å; I495-L504 HydrophobicContact CD1-CD1 4.46Å; I495-L504 HydrophobicContact CG2-CD1 3.47Å; I495-L504 VanDerWaalsContact CG2-CD1 3.47Å; I495-L504 HydrophobicContact CG2-CG 3.9Å; I495-L504 PolarHBondContact O-N 3.44Å; L504-V515 HydrophobicContact CB-CG1 3.83Å; L504-V515 HydrophobicContact CD1-CG1 4.39Å; L504-V515 HydrophobicContact CD2-CG1 4.07Å; L504-V515 HydrophobicContact CG-CG1 4.31Å; L504-I516 WeakPolarHBondContact CA-O 3.43Å; L504-L517 HydrophobicContact CD2-CD2 4.12Å; L504-W529 HydrophobicContact CB-CZ2 3.72Å; L504-W529 PolarHBondContact O-NE1 3.12Å
505	D	97.3	Very high	93.4	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.4	-171.3	-163.8	-69	0	0	0	110.4	C503 P507 I516 N526 Q527	C503-D505 PolarHBondContact O-N 3.02Å; D505-P507 WeakPolarHBondContact O-CD 3.45Å; D505-I516 HydrophobicContact CB-CG1 3.94Å; D505-I516 PolarHBondContact N-O 2.86Å; D505-I516 PolarHBondContact O-N 3.45Å; D505-N526 PolarHBondContact OD1-ND2 3.13Å; D505-N526 PolarHBondContact OD2-ND2 2.85Å; D505-Q527 HydrophobicContact CB-CG 4.21Å; D505-Q527 WeakPolarHBondContact OD2-CG 3.35Å; D505-Q527 PolarHBondContact OD2-NE2 3.14Å
506	V	97	Very high	93.5	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.03	28%	0.283	C	S	.	.			trans	-105.6	98.8	173.5	-178.2	0	0	0	0	108.6	E508 T513 N526 W529 H540 M558	V506-E508 VanDerWaalsContact C-N 3.3Å; V506-E508 VanDerWaalsContact CG1-O 3.31Å; V506-E508 WeakPolarHBondContact CG1-O 3.47Å; V506-E508 PolarHBondContact O-N 3.25Å; V506-T513 HydrophobicContact CG1-CG2 4.06Å; V506-N526 PolarHBondContact N-O 3.01Å; V506-N526 VanDerWaalsContact N-O 3.11Å; V506-N526 WeakPolarHBondContact O-CB 3.23Å; V506-W529 HydrophobicContact CG2-CH2 3.61Å; V506-W529 HydrophobicContact CG2-CZ2 3.82Å; V506-H540 HydrophobicContact CG2-CB 4.26Å; V506-M558 HydrophobicContact CG1-CG 3.78Å; V506-M558 HydrophobicContact CG2-CE 4.49Å; V506-M558 HydrophobicContact CG2-CG 3.91Å; V506-M558 HydrophobicContact CG2-SD 3.78Å
507	P	93	Very high	93.6	Very high	61 Å²	61	50.1 Å²	50.1	40%	0.396	27%	0.274	S	S	.	.			trans	-71.1	-25.3	-169.1	27.4	-35.7	0	0	0	113.3	D505 T513 I516	D505-P507 WeakPolarHBondContact O-CD 3.45Å; P507-T513 HydrophobicContact CG-CG2 3.91Å; P507-I516 HydrophobicContact CB-CD1 3.93Å; P507-I516 HydrophobicContact CG-CD1 3.95Å; P507-I516 HydrophobicContact CG-CG1 4.37Å
508	E	91.6	Very high	93.6	Very high	95 Å²	95	54.9 Å²	54.9	44%	0.444	29%	0.293	S	S	.	.	S	Bend	trans	-131.5	142.7	-177.8	-68.3	-176.4	-133	0	0	111.4	V506 K510 T513	V506-E508 VanDerWaalsContact C-N 3.3Å; V506-E508 VanDerWaalsContact CG1-O 3.31Å; V506-E508 WeakPolarHBondContact CG1-O 3.47Å; V506-E508 PolarHBondContact O-N 3.25Å; E508-K510 PolarHBondContact O-N 3.19Å; E508-K510 WeakPolarHBondContact OE2-CD 3.38Å; E508-K510 WeakPolarHBondContact OE2-CE 3.4Å; E508-K510 IonicContact OE2-NZ 3.42Å; E508-K510 PolarHBondContact OE2-NZ 2.04Å; E508-T513 HydrophobicContact CB-CG2 3.99Å; E508-T513 PolarHBondContact O-OG1 3.26Å
509	S	89.4	Confident	93.6	Very high	96 Å²	96	52.6 Å²	52.6	67%	0.671	29%	0.292	S	S	*	.	S	Bend	trans	-84.2	50.3	177.5	-63.6	0	0	0	0	112.4	T543	S509-T543 WeakPolarHBondContact OG-CG2 3.46Å
510	K	90.3	Very high	93.8	Very high	126 Å²	126	51 Å²	51	55%	0.548	27%	0.268	S	S	.	.	S	Bend	trans	-126.1	160.1	-177.1	-62.5	177.9	-170.1	152.6	0	111.8	E508 T513 L545	E508-K510 PolarHBondContact O-N 3.19Å; E508-K510 WeakPolarHBondContact OE2-CD 3.38Å; E508-K510 WeakPolarHBondContact OE2-CE 3.4Å; E508-K510 IonicContact OE2-NZ 3.42Å; E508-K510 PolarHBondContact OE2-NZ 2.04Å; K510-T513 WeakPolarHBondContact O-CB 3.41Å; K510-T513 PolarHBondContact O-OG1 3.29Å; K510-T513 VanDerWaalsContact O-OG1 3.05Å; K510-L545 WeakPolarHBondContact O-CD1 3.49Å
511	F	93.5	Very high	93.7	Very high	133 Å²	133	50 Å²	50	58%	0.583	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	151.4	167.5	-62.9	-66.6	0	0	0	110.3	T513 L545 A560	F511-T513 PolarHBondContact O-N 2.99Å; F511-T513 VanDerWaalsContact O-N 3.12Å; F511-L545 HydrophobicContact CD1-CD1 4.3Å; F511-L545 HydrophobicContact CD1-CD2 3.82Å; F511-L545 HydrophobicContact CE1-CD2 3.37Å; F511-L545 HydrophobicContact CZ-CD2 4.24Å; F511-A560 HydrophobicContact CE1-CB 3.81Å; F511-A560 HydrophobicContact CZ-CB 4.5Å
512	Q	94.8	Very high	93.5	Very high	124 Å²	124	46.9 Å²	46.9	58%	0.579	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	8	-178.5	-57.1	-66.9	-30.8	0	0	114.4	F557 M558	Q512-F557 VanDerWaalsContact NE2-CE2 3.3Å; Q512-F557 VanDerWaalsContact OE1-CE2 3.31Å; Q512-M558 PolarHBondContact N-O 3.17Å
513	T	95.8	Very high	92.9	Very high	8 Å²	8	51.1 Å²	51.1	5%	0.049	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-62.2	125.6	173	-65.2	0	0	0	0	109.6	V506 P507 E508 K510 F511 F557 M558	V506-T513 HydrophobicContact CG1-CG2 4.06Å; P507-T513 HydrophobicContact CG-CG2 3.91Å; E508-T513 HydrophobicContact CB-CG2 3.99Å; E508-T513 PolarHBondContact O-OG1 3.26Å; K510-T513 WeakPolarHBondContact O-CB 3.41Å; K510-T513 PolarHBondContact O-OG1 3.29Å; K510-T513 VanDerWaalsContact O-OG1 3.05Å; F511-T513 PolarHBondContact O-N 2.99Å; F511-T513 VanDerWaalsContact O-N 3.12Å; T513-F557 CarbonylContact O-C 3.5Å; T513-F557 VanDerWaalsContact O-CA 3.27Å; T513-F557 WeakPolarHBondContact O-CA 3.38Å; T513-M558 PolarHBondContact O-N 3.14Å
514	P	96.8	Very high	92.3	Very high	30 Å²	30	56.6 Å²	56.6	20%	0.195	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-71.3	149.8	176.5	30.6	-35.5	0	0	0	110.8	R468	R468-P514 HydrophobicContact CG-CB 3.94Å; R468-P514 HydrophobicContact CG-CG 4.29Å
515	V	97.6	Very high	92	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-84.5	131.3	171.2	-176.4	0	0	0	0	109.2	R468 V469 L504 W529 L547 V556 M558	R468-V515 WeakPolarHBondContact CA-O 3.09Å; V469-V515 HydrophobicContact CG2-CB 3.8Å; V469-V515 HydrophobicContact CG2-CG1 3.82Å; V469-V515 WeakPolarHBondContact CG2-O 3.38Å; V469-V515 PolarHBondContact N-O 3.35Å; V469-V515 VanDerWaalsContact N-O 3.07Å; L504-V515 HydrophobicContact CB-CG1 3.83Å; L504-V515 HydrophobicContact CD1-CG1 4.39Å; L504-V515 HydrophobicContact CD2-CG1 4.07Å; L504-V515 HydrophobicContact CG-CG1 4.31Å; V515-W529 HydrophobicContact CG1-CH2 4.23Å; V515-W529 HydrophobicContact CG1-CZ2 4.11Å; V515-W529 HydrophobicContact CG2-CH2 4.05Å; V515-L547 HydrophobicContact CG2-CD1 3.56Å; V515-V556 HydrophobicContact CB-CG2 4.25Å; V515-M558 HydrophobicContact CG2-CG 4.45Å; V515-M558 HydrophobicContact CG2-SD 3.81Å
516	I	97.4	Very high	91.8	Very high	11 Å²	11	60.4 Å²	60.4	6%	0.056	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	166	-179.6	67.6	178.3	0	0	0	111.4	M466 E467 R468 L504 D505 P507	M466-I516 HydrophobicContact CE-CD1 4.44Å; M466-I516 HydrophobicContact SD-CD1 4.03Å; E467-I516 CarbonylContact O-C 3.59Å; E467-I516 VanDerWaalsContact O-CA 3.23Å; E467-I516 WeakPolarHBondContact O-CA 3.38Å; E467-I516 WeakPolarHBondContact O-CB 3.44Å; R468-I516 HydrophobicContact CG-CG2 4.07Å; L504-I516 WeakPolarHBondContact CA-O 3.43Å; D505-I516 HydrophobicContact CB-CG1 3.94Å; D505-I516 PolarHBondContact N-O 2.86Å; D505-I516 PolarHBondContact O-N 3.45Å; P507-I516 HydrophobicContact CB-CD1 3.93Å; P507-I516 HydrophobicContact CG-CD1 3.95Å; P507-I516 HydrophobicContact CG-CG1 4.37Å
517	L	97.3	Very high	91.8	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	125.3	164.2	-65.7	172.2	0	0	0	109.4	A460 K463 A465 M466 E467 V469 P497 F502 L504	A460-L517 HydrophobicContact CB-CD1 3.99Å; A460-L517 HydrophobicContact CB-CD2 4.32Å; K463-L517 HydrophobicContact CB-CD1 4Å; K463-L517 WeakPolarHBondContact O-CD1 3.41Å; A465-L517 CarbonylContact C-O 3.6Å; A465-L517 WeakPolarHBondContact CA-O 3.24Å; M466-L517 PolarHBondContact N-O 3.32Å; E467-L517 PolarHBondContact O-N 3.2Å; V469-L517 HydrophobicContact CG1-CD1 4.38Å; V469-L517 HydrophobicContact CG1-CD2 3.74Å; V469-L517 HydrophobicContact CG1-CG 3.77Å; P497-L517 HydrophobicContact CG-CD2 4.13Å; F502-L517 HydrophobicContact CB-CB 4.18Å; F502-L517 HydrophobicContact CB-CD2 4.29Å; L504-L517 HydrophobicContact CD2-CD2 4.12Å
518	Y	95.1	Very high	91.9	Very high	101 Å²	101	58.6 Å²	58.6	40%	0.396	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	159.3	172.6	-160.6	-103	0	0	0	111.1	M466 F502 C503 C520	M466-Y518 HydrophobicContact CG-CD2 4.47Å; M466-Y518 HydrophobicContact CG-CE2 4.47Å; M466-Y518 HydrophobicContact SD-CD2 3.44Å; M466-Y518 WeakPolarHBondContact SD-CD2 3.4Å; M466-Y518 HydrophobicContact SD-CE2 3.44Å; M466-Y518 WeakPolarHBondContact SD-CE2 3.25Å; F502-Y518 CarbonylContact C-O 3.54Å; F502-Y518 WeakPolarHBondContact CA-O 3.48Å; C503-Y518 PolarHBondContact N-O 2.85Å; C503-Y518 PolarHBondContact O-N 3.29Å; Y518-C520 PolarHBondContact O-N 2.74Å
519	A	90.9	Very high	92.2	Very high	48 Å²	48	54 Å²	54	40%	0.397	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	127.4	178.4	0	0	0	0	0	110.2	H521 Q527	A519-H521 PolarHBondContact O-N 3.49Å; A519-Q527 PolarHBondContact O-NE2 3.03Å
520	C	90.1	Very high	92.6	Very high	40 Å²	40	54.5 Å²	54.5	27%	0.27	28%	0.277	S	S	.	.			trans	-62.4	121.2	177.3	-65.7	0	0	0	0	109.5	S501 C503 Y518	S501-C520 PolarHBondContact O-N 3.47Å; S501-C520 PolarHBondContact O-SG 3.1Å; C503-C520 VanDerWaalsContact CA-SG 3.58Å; C503-C520 HydrophobicContact CB-CB 4.06Å; C503-C520 WeakPolarHBondContact CB-SG 3.44Å; C503-C520 PolarHBondContact N-SG 3.26Å; C503-C520 WeakPolarHBondContact SG-CB 3.4Å; C503-C520 CovalentContact SG-SG 2.04Å; C503-C520 PolarHBondContact SG-SG 3.36Å; Y518-C520 PolarHBondContact O-N 2.74Å
521	H	84.1	Confident	92.8	Very high	47 Å²	47	49.8 Å²	49.8	22%	0.218	26%	0.256	C	S	.	.			trans	-109.6	-10.7	-176.5	54.8	79.5	0	0	0	114.1	A519 M523 Q524 N526 Q527	A519-H521 PolarHBondContact O-N 3.49Å; H521-M523 HydrophobicContact CB-CE 3.99Å; H521-M523 HydrophobicContact CB-CG 4.18Å; H521-M523 VanDerWaalsContact ND1-CB 3.31Å; H521-M523 WeakPolarHBondContact ND1-CB 3.38Å; H521-M523 PolarHBondContact ND1-N 2.76Å; H521-M523 VanDerWaalsContact O-CG 3.32Å; H521-M523 WeakPolarHBondContact O-CG 3.39Å; H521-M523 PolarHBondContact O-N 3.48Å; H521-Q524 PolarHBondContact CE1-O 3.08Å; H521-N526 PolarHBondContact NE2-OD1 3.38Å; H521-N526 VanDerWaalsContact NE2-OD1 3.16Å; H521-Q527 PolarHBondContact CD2-NE2 2.81Å; H521-Q527 PolarHBondContact CD2-OE1 2.96Å; H521-Q527 VanDerWaalsContact CD2-OE1 3.22Å; H521-Q527 VanDerWaalsContact N-OE1 3.13Å; H521-Q527 WeakPolarHBondContact NE2-CG 3.49Å; H521-Q527 PolarHBondContact NE2-NE2 3.12Å; H521-Q527 PolarHBondContact NE2-OE1 2.92Å
522	G	82.8	Confident	92.9	Very high	15 Å²	15	44.6 Å²	44.6	16%	0.155	23%	0.234	C	C	.	.	S	Bend	trans	61.6	20.7	177.1	0	0	0	0	0	113.7	K435 E494	K435-G522 PolarHBondContact NZ-O 3.05Å; E494-G522 WeakPolarHBondContact OE1-CA 3.36Å; E494-G522 PolarHBondContact OE1-N 2.9Å
523	M	81.3	Confident	92.7	Very high	130 Å²	130	47.2 Å²	47.2	64%	0.64	24%	0.239	S	C	*	.	S	Bend	trans	-105.6	12.5	179	-45.8	-171	-70	0	0	112.1	H521 G525	H521-M523 HydrophobicContact CB-CE 3.99Å; H521-M523 HydrophobicContact CB-CG 4.18Å; H521-M523 VanDerWaalsContact ND1-CB 3.31Å; H521-M523 WeakPolarHBondContact ND1-CB 3.38Å; H521-M523 PolarHBondContact ND1-N 2.76Å; H521-M523 VanDerWaalsContact O-CG 3.32Å; H521-M523 WeakPolarHBondContact O-CG 3.39Å; H521-M523 PolarHBondContact O-N 3.48Å; M523-G525 PolarHBondContact O-N 3.19Å
524	Q	84.5	Confident	92.6	Very high	115 Å²	115	55.6 Å²	55.6	54%	0.537	28%	0.277	S	S	.	.			trans	60.7	-121.4	-172.3	-53.9	-179.9	-10.1	0	0	110.7	H521 N526 Q527 L528	H521-Q524 PolarHBondContact CE1-O 3.08Å; Q524-N526 PolarHBondContact O-N 2.8Å; Q524-Q527 PolarHBondContact O-N 3.34Å; Q524-L528 HydrophobicContact CB-CB 4.06Å; Q524-L528 HydrophobicContact CB-CD1 4.14Å; Q524-L528 HydrophobicContact CB-CD2 4.16Å; Q524-L528 HydrophobicContact CB-CG 4.33Å; Q524-L528 HydrophobicContact CG-CD1 4.12Å
525	G	90.8	Very high	92.4	Very high	29 Å²	29	58.4 Å²	58.4	30%	0.299	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	62.9	-134.1	176.5	0	0	0	0	0	113.1	M523 Q527 L528 V542	M523-G525 PolarHBondContact O-N 3.19Å; G525-Q527 PolarHBondContact O-N 2.93Å; G525-Q527 VanDerWaalsContact O-N 3.07Å; G525-L528 VanDerWaalsContact O-CB 3.29Å; G525-L528 WeakPolarHBondContact O-CB 3.44Å; G525-L528 PolarHBondContact O-N 2.78Å; G525-V542 VanDerWaalsContact C-CG2 3.48Å; G525-V542 WeakPolarHBondContact O-CG2 3.25Å
526	N	94	Very high	92.3	Very high	55 Å²	55	60.6 Å²	60.6	29%	0.294	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-61.4	-7.5	177.4	53.5	-28.9	0	0	0	114.9	D505 V506 H521 Q524 H540	D505-N526 PolarHBondContact OD1-ND2 3.13Å; D505-N526 PolarHBondContact OD2-ND2 2.85Å; V506-N526 PolarHBondContact N-O 3.01Å; V506-N526 VanDerWaalsContact N-O 3.11Å; V506-N526 WeakPolarHBondContact O-CB 3.23Å; H521-N526 PolarHBondContact NE2-OD1 3.38Å; H521-N526 VanDerWaalsContact NE2-OD1 3.16Å; Q524-N526 PolarHBondContact O-N 2.8Å; N526-H540 WeakPolarHBondContact CA-NE2 3.42Å; N526-H540 PolarHBondContact O-NE2 2.85Å
527	Q	96.3	Very high	92.3	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-109.3	9.3	174.8	-61	-177.6	-5.8	0	0	112.9	E494 C503 D505 A519 H521 Q524 G525	E494-Q527 HydrophobicContact CG-CB 4.48Å; C503-Q527 HydrophobicContact CB-CG 4.24Å; D505-Q527 HydrophobicContact CB-CG 4.21Å; D505-Q527 WeakPolarHBondContact OD2-CG 3.35Å; D505-Q527 PolarHBondContact OD2-NE2 3.14Å; A519-Q527 PolarHBondContact O-NE2 3.03Å; H521-Q527 PolarHBondContact CD2-NE2 2.81Å; H521-Q527 PolarHBondContact CD2-OE1 2.96Å; H521-Q527 VanDerWaalsContact CD2-OE1 3.22Å; H521-Q527 VanDerWaalsContact N-OE1 3.13Å; H521-Q527 WeakPolarHBondContact NE2-CG 3.49Å; H521-Q527 PolarHBondContact NE2-NE2 3.12Å; H521-Q527 PolarHBondContact NE2-OE1 2.92Å; Q524-Q527 PolarHBondContact O-N 3.34Å; G525-Q527 PolarHBondContact O-N 2.93Å; G525-Q527 VanDerWaalsContact O-N 3.07Å
528	L	96.3	Very high	92.3	Very high	27 Å²	27	60.5 Å²	60.5	14%	0.141	30%	0.298	C	S	.	.			trans	-89.3	109.5	-179.2	-174.4	65.5	0	0	0	111.8	K493 Q524 G525 S541	K493-L528 HydrophobicContact CB-CD1 3.77Å; K493-L528 HydrophobicContact CD-CD1 4.24Å; Q524-L528 HydrophobicContact CB-CB 4.06Å; Q524-L528 HydrophobicContact CB-CD1 4.14Å; Q524-L528 HydrophobicContact CB-CD2 4.16Å; Q524-L528 HydrophobicContact CB-CG 4.33Å; Q524-L528 HydrophobicContact CG-CD1 4.12Å; G525-L528 VanDerWaalsContact O-CB 3.29Å; G525-L528 WeakPolarHBondContact O-CB 3.44Å; G525-L528 PolarHBondContact O-N 2.78Å; L528-S541 VanDerWaalsContact O-CB 3.29Å; L528-S541 WeakPolarHBondContact O-CB 3.35Å; L528-S541 PolarHBondContact O-N 2.84Å; L528-S541 PolarHBondContact O-OG 2.84Å
529	W	97.3	Very high	92.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	147.2	-178.4	-60.5	91.6	0	0	0	112.2	Y489 K493 I495 L504 V506 V515 I538 I539 H540 M558	Y489-W529 HydrophobicContact CE2-CB 4.21Å; Y489-W529 PolarHBondContact OH-O 2.69Å; K493-W529 WeakPolarHBondContact CB-O 3.45Å; K493-W529 PolarHBondContact O-N 3.45Å; I495-W529 HydrophobicContact CD1-CB 3.8Å; I495-W529 HydrophobicContact CD1-CD2 4.01Å; I495-W529 HydrophobicContact CD1-CE3 4.42Å; I495-W529 HydrophobicContact CD1-CG 3.73Å; I495-W529 HydrophobicContact CG1-CB 3.94Å; I495-W529 HydrophobicContact CG1-CG 3.87Å; L504-W529 HydrophobicContact CB-CZ2 3.72Å; L504-W529 PolarHBondContact O-NE1 3.12Å; V506-W529 HydrophobicContact CG2-CH2 3.61Å; V506-W529 HydrophobicContact CG2-CZ2 3.82Å; V515-W529 HydrophobicContact CG1-CH2 4.23Å; V515-W529 HydrophobicContact CG1-CZ2 4.11Å; V515-W529 HydrophobicContact CG2-CH2 4.05Å; W529-I538 HydrophobicContact CD2-CG2 4.41Å; W529-I538 HydrophobicContact CE3-CG2 3.53Å; W529-I538 HydrophobicContact CZ3-CG2 3.94Å; W529-I539 CarbonylContact C-O 3.51Å; W529-I539 WeakPolarHBondContact CA-O 3.15Å; W529-H540 HydrophobicContact CE3-CB 4.27Å; W529-H540 HydrophobicContact CH2-CB 4.48Å; W529-H540 HydrophobicContact CZ3-CB 3.99Å; W529-M558 HydrophobicContact CH2-SD 4.01Å; W529-M558 HydrophobicContact CZ3-CE 4.33Å; W529-M558 HydrophobicContact CZ3-SD 4.2Å
530	K	96.8	Very high	92.8	Very high	105 Å²	105	54.7 Å²	54.7	46%	0.457	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.1	167.6	178.2	-173	175.5	-168.5	0	108.1	I539	K530-I539 HydrophobicContact CB-CB 4.31Å; K530-I539 HydrophobicContact CD-CD1 4.29Å; K530-I539 PolarHBondContact N-O 3.38Å; K530-I539 PolarHBondContact O-N 3.05Å
531	Y	96.1	Very high	93	Very high	27 Å²	27	53.7 Å²	53.7	11%	0.106	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	112.5	168.9	-179.4	-126.7	0	0	0	110.1	I445 R533 Q537 I538 W570 F572	I445-Y531 HydrophobicContact CD1-CD1 3.36Å; I445-Y531 HydrophobicContact CD1-CE1 3.73Å; I445-Y531 HydrophobicContact CD1-CG 4.49Å; Y531-R533 HydrophobicContact CD1-CB 4.46Å; Y531-R533 HydrophobicContact CE1-CB 4.01Å; Y531-R533 HydrophobicContact CE1-CG 4.22Å; Y531-Q537 WeakPolarHBondContact CD2-O 3.38Å; Y531-I538 HydrophobicContact CD2-CG1 3.59Å; Y531-I538 HydrophobicContact CE2-CG1 4.13Å; Y531-W570 WeakPolarHBondContact CE2-O 3.49Å; Y531-W570 PolarHBondContact OH-O 3.18Å; Y531-W570 VanDerWaalsContact OH-O 3.05Å; Y531-F572 HydrophobicContact CD1-CB 4.24Å; Y531-F572 HydrophobicContact CE1-CB 3.83Å; Y531-F572 HydrophobicContact CE2-CB 4.27Å; Y531-F572 PolarHBondContact OH-N 3.4Å; Y531-F572 VanDerWaalsContact OH-N 3.13Å
532	D	94.6	Very high	93.5	Very high	24 Å²	24	55.2 Å²	55.2	13%	0.128	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	98.6	173.4	-168	-34.6	0	0	0	109.2	Q534 K535 N536 Q537 I539	D532-Q534 VanDerWaalsContact C-N 3.29Å; D532-Q534 PolarHBondContact O-N 2.74Å; D532-Q534 PolarHBondContact OD1-N 2.81Å; D532-Q534 VanDerWaalsContact OD1-N 3.11Å; D532-K535 HydrophobicContact CB-CB 4.21Å; D532-K535 PolarHBondContact O-N 3.07Å; D532-K535 PolarHBondContact OD1-N 3.28Å; D532-K535 VanDerWaalsContact OD1-N 3.14Å; D532-K535 WeakPolarHBondContact OD2-CD 3.46Å; D532-N536 WeakPolarHBondContact O-CA 3.4Å; D532-N536 PolarHBondContact O-N 2.98Å; D532-Q537 PolarHBondContact N-O 2.87Å; D532-Q537 PolarHBondContact O-N 2.63Å; D532-Q537 VanDerWaalsContact O-N 3.08Å; D532-I539 HydrophobicContact CB-CD1 4.2Å
533	R	91.7	Very high	94	Very high	179 Å²	179	55.9 Å²	55.9	68%	0.675	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-25.6	-177.2	-170.8	175.4	177.7	-171.1	-1.5	113.3	Y531 N536	Y531-R533 HydrophobicContact CD1-CB 4.46Å; Y531-R533 HydrophobicContact CE1-CB 4.01Å; Y531-R533 HydrophobicContact CE1-CG 4.22Å; R533-N536 PolarHBondContact O-OD1 3.27Å
534	Q	92.3	Very high	94.7	Very high	184 Å²	184	56.7 Å²	56.7	86%	0.86	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-37.5	177.4	-68.1	-178.5	-8.5	0	0	110.6	D532	D532-Q534 VanDerWaalsContact C-N 3.29Å; D532-Q534 PolarHBondContact O-N 2.74Å; D532-Q534 PolarHBondContact OD1-N 2.81Å; D532-Q534 VanDerWaalsContact OD1-N 3.11Å
535	K	93.7	Very high	95.4	Very high	89 Å²	89	52 Å²	52	39%	0.387	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-6.5	179.3	-60.6	-177.2	179	-179.7	0	113.9	D532 Q537 Q563	D532-K535 HydrophobicContact CB-CB 4.21Å; D532-K535 PolarHBondContact O-N 3.07Å; D532-K535 PolarHBondContact OD1-N 3.28Å; D532-K535 VanDerWaalsContact OD1-N 3.14Å; D532-K535 WeakPolarHBondContact OD2-CD 3.46Å; K535-Q537 HydrophobicContact CB-CB 4.28Å; K535-Q537 HydrophobicContact CB-CG 4.24Å; K535-Q537 PolarHBondContact O-N 3.5Å; K535-Q563 HydrophobicContact CB-CG 4.29Å; K535-Q563 HydrophobicContact CD-CG 4.27Å; K535-Q563 HydrophobicContact CG-CG 4.39Å
536	N	95.3	Very high	95.7	Very high	47 Å²	47	50.7 Å²	50.7	25%	0.251	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	37.9	-168.3	-64.6	-45.5	0	0	0	112.5	L452 D532 R533 S569 W570	L452-N536 HydrophobicContact CD1-CB 4.16Å; D532-N536 WeakPolarHBondContact O-CA 3.4Å; D532-N536 PolarHBondContact O-N 2.98Å; R533-N536 PolarHBondContact O-OD1 3.27Å; N536-S569 CarbonylContact O-C 3.55Å; N536-S569 WeakPolarHBondContact O-CA 3.46Å; N536-W570 WeakPolarHBondContact CB-O 3.46Å; N536-W570 PolarHBondContact O-N 2.93Å
537	Q	97.1	Very high	95.9	Very high	9 Å²	9	48.1 Å²	48.1	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.4	-177.9	-77.3	-177.9	-36.7	0	0	111.2	Y531 D532 K535 I539 N562	Y531-Q537 WeakPolarHBondContact CD2-O 3.38Å; D532-Q537 PolarHBondContact N-O 2.87Å; D532-Q537 PolarHBondContact O-N 2.63Å; D532-Q537 VanDerWaalsContact O-N 3.08Å; K535-Q537 HydrophobicContact CB-CB 4.28Å; K535-Q537 HydrophobicContact CB-CG 4.24Å; K535-Q537 PolarHBondContact O-N 3.5Å; Q537-I539 HydrophobicContact CB-CG1 4.16Å; Q537-N562 PolarHBondContact NE2-O 3.26Å
538	I	97.9	Very high	96	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	113.6	167.8	-65.3	170.5	0	0	0	107	I449 I495 W529 Y531 C546 L547 W570	I449-I538 HydrophobicContact CG2-CD1 3.59Å; I495-I538 HydrophobicContact CD1-CG2 3.82Å; W529-I538 HydrophobicContact CD2-CG2 4.41Å; W529-I538 HydrophobicContact CE3-CG2 3.53Å; W529-I538 HydrophobicContact CZ3-CG2 3.94Å; Y531-I538 HydrophobicContact CD2-CG1 3.59Å; Y531-I538 HydrophobicContact CE2-CG1 4.13Å; I538-C546 WeakPolarHBondContact O-CA 3.29Å; I538-L547 HydrophobicContact CB-CB 3.99Å; I538-L547 HydrophobicContact CB-CD2 4.3Å; I538-L547 HydrophobicContact CD1-CD2 4.02Å; I538-L547 HydrophobicContact CG2-CB 4.16Å; I538-L547 HydrophobicContact CG2-CD2 4.3Å; I538-L547 PolarHBondContact O-N 3.08Å; I538-W570 HydrophobicContact CD1-CB 3.86Å; I538-W570 HydrophobicContact CD1-CG 4Å; I538-W570 HydrophobicContact CG1-CB 4.17Å; I538-W570 HydrophobicContact CG1-CG 4.37Å
539	I	97.8	Very high	96	Very high	24 Å²	24	47.7 Å²	47.7	12%	0.123	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.5	-170.6	-52.5	164.7	0	0	0	108.6	W529 K530 D532 Q537 S541	W529-I539 CarbonylContact C-O 3.51Å; W529-I539 WeakPolarHBondContact CA-O 3.15Å; K530-I539 HydrophobicContact CB-CB 4.31Å; K530-I539 HydrophobicContact CD-CD1 4.29Å; K530-I539 PolarHBondContact N-O 3.38Å; K530-I539 PolarHBondContact O-N 3.05Å; D532-I539 HydrophobicContact CB-CD1 4.2Å; Q537-I539 HydrophobicContact CB-CG1 4.16Å; I539-S541 PolarHBondContact O-N 3.16Å
540	H	97.5	Very high	96	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	114.7	168.4	-177.6	-123.8	0	0	0	109.3	V506 N526 W529 V542 T543 K544 L545 M558	V506-H540 HydrophobicContact CG2-CB 4.26Å; N526-H540 WeakPolarHBondContact CA-NE2 3.42Å; N526-H540 PolarHBondContact O-NE2 2.85Å; W529-H540 HydrophobicContact CE3-CB 4.27Å; W529-H540 HydrophobicContact CH2-CB 4.48Å; W529-H540 HydrophobicContact CZ3-CB 3.99Å; H540-V542 VanDerWaalsContact C-N 3.31Å; H540-V542 PolarHBondContact O-N 2.63Å; H540-T543 WeakPolarHBondContact ND1-CG2 3.27Å; H540-T543 PolarHBondContact ND1-N 3.06Å; H540-T543 PolarHBondContact ND1-OG1 2.86Å; H540-K544 VanDerWaalsContact O-CA 3.29Å; H540-K544 WeakPolarHBondContact O-CA 3.1Å; H540-K544 PolarHBondContact O-N 3.2Å; H540-L545 PolarHBondContact N-O 3.24Å; H540-M558 HydrophobicContact CB-CE 3.4Å; H540-M558 VanDerWaalsContact CB-CE 3.4Å; H540-M558 HydrophobicContact CB-SD 4.49Å
541	S	95.4	Very high	95.8	Very high	20 Å²	20	47.2 Å²	47.2	14%	0.14	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-25.8	-164.2	-62.2	0	0	0	0	113.6	L528 I539 K544	L528-S541 VanDerWaalsContact O-CB 3.29Å; L528-S541 WeakPolarHBondContact O-CB 3.35Å; L528-S541 PolarHBondContact O-N 2.84Å; L528-S541 PolarHBondContact O-OG 2.84Å; I539-S541 PolarHBondContact O-N 3.16Å; S541-K544 WeakPolarHBondContact O-CD 2.98Å; S541-K544 VanDerWaalsContact O-CE 3.27Å; S541-K544 WeakPolarHBondContact O-CE 3.16Å; S541-K544 PolarHBondContact O-NZ 3.02Å
542	V	93.6	Very high	95.8	Very high	78 Å²	78	50.9 Å²	50.9	47%	0.473	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-52.5	179.4	172.3	0	0	0	0	110.8	G525 H540	G525-V542 VanDerWaalsContact C-CG2 3.48Å; G525-V542 WeakPolarHBondContact O-CG2 3.25Å; H540-V542 VanDerWaalsContact C-N 3.31Å; H540-V542 PolarHBondContact O-N 2.63Å
543	T	94.6	Very high	95.8	Very high	30 Å²	30	56.2 Å²	56.2	18%	0.184	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-13.2	-176.7	63.2	0	0	0	0	113.5	S509 H540 L545	S509-T543 WeakPolarHBondContact OG-CG2 3.46Å; H540-T543 WeakPolarHBondContact ND1-CG2 3.27Å; H540-T543 PolarHBondContact ND1-N 3.06Å; H540-T543 PolarHBondContact ND1-OG1 2.86Å; T543-L545 PolarHBondContact O-N 2.84Å; T543-L545 WeakPolarHBondContact OG1-CB 3.48Å; T543-L545 WeakPolarHBondContact OG1-CG 3.07Å; T543-L545 PolarHBondContact OG1-N 2.04Å
544	K	96	Very high	96	Very high	147 Å²	147	51.6 Å²	51.6	64%	0.639	27%	0.271	S	S	*	.			trans	60	17.5	-171.1	-47.9	-58.1	-177.9	-166	0	113.9	H540 S541 C561	H540-K544 VanDerWaalsContact O-CA 3.29Å; H540-K544 WeakPolarHBondContact O-CA 3.1Å; H540-K544 PolarHBondContact O-N 3.2Å; S541-K544 WeakPolarHBondContact O-CD 2.98Å; S541-K544 VanDerWaalsContact O-CE 3.27Å; S541-K544 WeakPolarHBondContact O-CE 3.16Å; S541-K544 PolarHBondContact O-NZ 3.02Å; K544-C561 PolarHBondContact O-SG 2.77Å; K544-C561 VanDerWaalsContact O-SG 3.33Å
545	L	97.5	Very high	96.2	Very high	17 Å²	17	44.3 Å²	44.3	9%	0.089	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-85	156.7	174	-59.6	-179	0	0	0	110.8	K510 F511 H540 T543 M558 S559 C561	K510-L545 WeakPolarHBondContact O-CD1 3.49Å; F511-L545 HydrophobicContact CD1-CD1 4.3Å; F511-L545 HydrophobicContact CD1-CD2 3.82Å; F511-L545 HydrophobicContact CE1-CD2 3.37Å; F511-L545 HydrophobicContact CZ-CD2 4.24Å; H540-L545 PolarHBondContact N-O 3.24Å; T543-L545 PolarHBondContact O-N 2.84Å; T543-L545 WeakPolarHBondContact OG1-CB 3.48Å; T543-L545 WeakPolarHBondContact OG1-CG 3.07Å; T543-L545 PolarHBondContact OG1-N 2.04Å; L545-M558 HydrophobicContact CB-CB 4.09Å; L545-M558 HydrophobicContact CB-CE 3.6Å; L545-M558 HydrophobicContact CD1-CB 3.88Å; L545-M558 WeakPolarHBondContact O-CE 3.4Å; L545-S559 WeakPolarHBondContact CA-O 3.44Å; L545-S559 WeakPolarHBondContact CB-O 3.2Å; L545-C561 VanDerWaalsContact C-SG 3.56Å
546	C	97.8	Very high	96.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	148	177.8	-79.4	0	0	0	0	110.9	I538 D548 S559 C561	I538-C546 WeakPolarHBondContact O-CA 3.29Å; C546-D548 PolarHBondContact O-N 3.42Å; C546-S559 PolarHBondContact N-O 2.88Å; C546-S559 PolarHBondContact O-N 2.78Å; C546-C561 HydrophobicContact CB-CB 4Å; C546-C561 WeakPolarHBondContact CB-SG 3.2Å; C546-C561 PolarHBondContact N-SG 2.58Å; C546-C561 VanDerWaalsContact SG-CA 3.5Å; C546-C561 WeakPolarHBondContact SG-CB 3.24Å; C546-C561 CovalentContact SG-SG 2.04Å; C546-C561 PolarHBondContact SG-SG 3.3Å
547	L	98.1	Very high	96.4	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	125.9	169.3	-173.4	69.2	0	0	0	108.9	V515 I538 V556 M558 W570	V515-L547 HydrophobicContact CG2-CD1 3.56Å; I538-L547 HydrophobicContact CB-CB 3.99Å; I538-L547 HydrophobicContact CB-CD2 4.3Å; I538-L547 HydrophobicContact CD1-CD2 4.02Å; I538-L547 HydrophobicContact CG2-CB 4.16Å; I538-L547 HydrophobicContact CG2-CD2 4.3Å; I538-L547 PolarHBondContact O-N 3.08Å; L547-V556 HydrophobicContact CD1-CB 4.02Å; L547-V556 HydrophobicContact CD1-CG2 4.3Å; L547-M558 HydrophobicContact CD1-SD 4.47Å; L547-W570 HydrophobicContact CD2-CD2 4.19Å; L547-W570 HydrophobicContact CD2-CH2 4.23Å; L547-W570 HydrophobicContact CD2-CZ2 3.82Å; L547-W570 HydrophobicContact CG-CH2 4.49Å; L547-W570 HydrophobicContact CG-CZ2 3.76Å; L547-W570 PolarHBondContact O-NE1 3.34Å
548	D	97.7	Very high	96.5	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.064	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	159.3	-179.5	-150.9	-21.4	0	0	0	109.9	C546 V556 F557 S559 S567 Q568	C546-D548 PolarHBondContact O-N 3.42Å; D548-V556 VanDerWaalsContact O-CA 3.26Å; D548-V556 WeakPolarHBondContact O-CA 3.39Å; D548-V556 WeakPolarHBondContact O-CB 3.43Å; D548-F557 HydrophobicContact CB-CD2 4.1Å; D548-F557 HydrophobicContact CB-CE1 4.36Å; D548-F557 HydrophobicContact CB-CE2 3.67Å; D548-F557 HydrophobicContact CB-CZ 3.81Å; D548-F557 PolarHBondContact N-O 3.15Å; D548-F557 PolarHBondContact O-N 2.84Å; D548-S559 VanDerWaalsContact CB-OG 3.29Å; D548-S559 WeakPolarHBondContact CB-OG 3.43Å; D548-S559 PolarHBondContact OD2-OG 2.83Å; D548-S567 WeakPolarHBondContact OD1-CB 3.44Å; D548-S567 PolarHBondContact OD1-OG 2.83Å; D548-Q568 HydrophobicContact CB-CG 4Å; D548-Q568 VanDerWaalsContact CG-CG 3.46Å; D548-Q568 WeakPolarHBondContact OD2-CG 3.39Å; D548-Q568 PolarHBondContact OD2-NE2 3.2Å; D548-Q568 VanDerWaalsContact OD2-NE2 3.16Å
549	A	97.3	Very high	96.5	Very high	5 Å²	5	39.3 Å²	39.3	4%	0.041	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.4	-174.2	0	0	0	0	0	110.5	L471 P551 S567 W570	L471-A549 HydrophobicContact CD1-CB 3.74Å; A549-P551 WeakPolarHBondContact O-CD 3.49Å; A549-S567 PolarHBondContact N-O 3.36Å; A549-S567 WeakPolarHBondContact O-CB 3.12Å; A549-W570 HydrophobicContact CB-CH2 3.84Å; A549-W570 HydrophobicContact CB-CZ2 3.81Å
550	N	96.5	Very high	96.4	Very high	43 Å²	43	40.7 Å²	40.7	23%	0.23	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	93.7	161.2	-174.3	-1.7	0	0	0	109.3	S552 Q553 N554 S555 F557	N550-S552 VanDerWaalsContact C-N 3.27Å; N550-S552 PolarHBondContact O-N 2.88Å; N550-S552 PolarHBondContact OD1-N 2.84Å; N550-S552 PolarHBondContact OD1-OG 2.87Å; N550-Q553 HydrophobicContact CB-CB 4.46Å; N550-Q553 WeakPolarHBondContact ND2-CG 3.33Å; N550-Q553 PolarHBondContact ND2-OE1 2.83Å; N550-Q553 VanDerWaalsContact ND2-OE1 3.11Å; N550-Q553 PolarHBondContact O-N 3.03Å; N550-N554 PolarHBondContact O-N 2.67Å; N550-N554 VanDerWaalsContact O-N 3.07Å; N550-S555 PolarHBondContact N-O 2.88Å; N550-S555 PolarHBondContact O-N 3.5Å; N550-S555 VanDerWaalsContact O-N 3.15Å; N550-F557 HydrophobicContact CB-CE1 3.82Å
551	P	94.3	Very high	96.4	Very high	52 Å²	52	43.2 Å²	43.2	34%	0.338	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-62	-29.8	-177.1	-24.2	35	0	0	0	114	S454 L456 A549 Q553 N554	S454-P551 VanDerWaalsContact CB-CG 3.49Å; L456-P551 HydrophobicContact CD1-CB 4.12Å; A549-P551 WeakPolarHBondContact O-CD 3.49Å; P551-Q553 VanDerWaalsContact C-N 3.25Å; P551-Q553 PolarHBondContact O-N 2.81Å; P551-N554 PolarHBondContact O-N 3.09Å; P551-N554 PolarHBondContact O-OD1 2.81Å
552	S	94.2	Very high	96.5	Very high	105 Å²	105	45.8 Å²	45.8	73%	0.734	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-72	-22.8	-179.7	64.9	0	0	0	0	112.8	N550	N550-S552 VanDerWaalsContact C-N 3.27Å; N550-S552 PolarHBondContact O-N 2.88Å; N550-S552 PolarHBondContact OD1-N 2.84Å; N550-S552 PolarHBondContact OD1-OG 2.87Å
553	Q	94.9	Very high	96.4	Very high	136 Å²	136	48.1 Å²	48.1	64%	0.636	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-108.3	4.8	177.3	-66.3	-178.7	-9.8	0	0	113.1	N550 P551 S555	N550-Q553 HydrophobicContact CB-CB 4.46Å; N550-Q553 WeakPolarHBondContact ND2-CG 3.33Å; N550-Q553 PolarHBondContact ND2-OE1 2.83Å; N550-Q553 VanDerWaalsContact ND2-OE1 3.11Å; N550-Q553 PolarHBondContact O-N 3.03Å; P551-Q553 VanDerWaalsContact C-N 3.25Å; P551-Q553 PolarHBondContact O-N 2.81Å; Q553-S555 PolarHBondContact O-N 3.19Å; Q553-S555 VanDerWaalsContact O-N 3.14Å
554	N	95.6	Very high	96.4	Very high	81 Å²	81	51.6 Å²	51.6	43%	0.433	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	32.4	-173.6	-64.4	-35.9	0	0	0	114.1	E470 L471 N550 P551	E470-N554 WeakPolarHBondContact CA-O 3.3Å; E470-N554 WeakPolarHBondContact CB-O 3.13Å; L471-N554 HydrophobicContact CB-CB 4.47Å; L471-N554 PolarHBondContact N-O 3.5Å; L471-N554 WeakPolarHBondContact O-CB 3.27Å; N550-N554 PolarHBondContact O-N 2.67Å; N550-N554 VanDerWaalsContact O-N 3.07Å; P551-N554 PolarHBondContact O-N 3.09Å; P551-N554 PolarHBondContact O-OD1 2.81Å
555	S	96.5	Very high	96.3	Very high	32 Å²	32	46.6 Å²	46.6	22%	0.224	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	155.2	-171.8	66.3	0	0	0	0	112.6	L471 N550 Q553	L471-S555 WeakPolarHBondContact CD1-O 2.97Å; N550-S555 PolarHBondContact N-O 2.88Å; N550-S555 PolarHBondContact O-N 3.5Å; N550-S555 VanDerWaalsContact O-N 3.15Å; Q553-S555 PolarHBondContact O-N 3.19Å; Q553-S555 VanDerWaalsContact O-N 3.14Å
556	V	97.3	Very high	96.1	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144.5	169.7	-61.8	0	0	0	0	110.7	L458 V469 L471 V515 L547 D548 W570	L458-V556 HydrophobicContact CD1-CB 4.39Å; L458-V556 HydrophobicContact CD1-CG1 3.8Å; L458-V556 HydrophobicContact CD1-CG2 3.78Å; V469-V556 HydrophobicContact CG2-CG2 3.66Å; L471-V556 HydrophobicContact CD1-CG1 4.2Å; L471-V556 HydrophobicContact CD2-CG1 3.96Å; L471-V556 HydrophobicContact CG-CG1 3.82Å; V515-V556 HydrophobicContact CB-CG2 4.25Å; L547-V556 HydrophobicContact CD1-CB 4.02Å; L547-V556 HydrophobicContact CD1-CG2 4.3Å; D548-V556 VanDerWaalsContact O-CA 3.26Å; D548-V556 WeakPolarHBondContact O-CA 3.39Å; D548-V556 WeakPolarHBondContact O-CB 3.43Å; V556-W570 HydrophobicContact CG1-CH2 3.78Å; V556-W570 HydrophobicContact CG1-CZ2 4.36Å
557	F	97.7	Very high	96	Very high	24 Å²	24	50.9 Å²	50.9	11%	0.105	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	171.2	-174.4	58.2	-85.5	0	0	0	110.8	Q512 T513 D548 N550	Q512-F557 VanDerWaalsContact NE2-CE2 3.3Å; Q512-F557 VanDerWaalsContact OE1-CE2 3.31Å; T513-F557 CarbonylContact O-C 3.5Å; T513-F557 VanDerWaalsContact O-CA 3.27Å; T513-F557 WeakPolarHBondContact O-CA 3.38Å; D548-F557 HydrophobicContact CB-CD2 4.1Å; D548-F557 HydrophobicContact CB-CE1 4.36Å; D548-F557 HydrophobicContact CB-CE2 3.67Å; D548-F557 HydrophobicContact CB-CZ 3.81Å; D548-F557 PolarHBondContact N-O 3.15Å; D548-F557 PolarHBondContact O-N 2.84Å; N550-F557 HydrophobicContact CB-CE1 3.82Å
558	M	97.9	Very high	96	Very high	0 Å²	0	51 Å²	51	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131	178.5	-59.5	-51.7	-55.2	0	0	111.4	V506 Q512 T513 V515 W529 H540 L545 L547	V506-M558 HydrophobicContact CG1-CG 3.78Å; V506-M558 HydrophobicContact CG2-CE 4.49Å; V506-M558 HydrophobicContact CG2-CG 3.91Å; V506-M558 HydrophobicContact CG2-SD 3.78Å; Q512-M558 PolarHBondContact N-O 3.17Å; T513-M558 PolarHBondContact O-N 3.14Å; V515-M558 HydrophobicContact CG2-CG 4.45Å; V515-M558 HydrophobicContact CG2-SD 3.81Å; W529-M558 HydrophobicContact CH2-SD 4.01Å; W529-M558 HydrophobicContact CZ3-CE 4.33Å; W529-M558 HydrophobicContact CZ3-SD 4.2Å; H540-M558 HydrophobicContact CB-CE 3.4Å; H540-M558 VanDerWaalsContact CB-CE 3.4Å; H540-M558 HydrophobicContact CB-SD 4.49Å; L545-M558 HydrophobicContact CB-CB 4.09Å; L545-M558 HydrophobicContact CB-CE 3.6Å; L545-M558 HydrophobicContact CD1-CB 3.88Å; L545-M558 WeakPolarHBondContact O-CE 3.4Å; L547-M558 HydrophobicContact CD1-SD 4.47Å
559	S	97.4	Very high	95.9	Very high	12 Å²	12	51.8 Å²	51.8	8%	0.084	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	171.5	176.1	72.7	0	0	0	0	112.2	L545 C546 D548 C561 Q568	L545-S559 WeakPolarHBondContact CA-O 3.44Å; L545-S559 WeakPolarHBondContact CB-O 3.2Å; C546-S559 PolarHBondContact N-O 2.88Å; C546-S559 PolarHBondContact O-N 2.78Å; D548-S559 VanDerWaalsContact CB-OG 3.29Å; D548-S559 WeakPolarHBondContact CB-OG 3.43Å; D548-S559 PolarHBondContact OD2-OG 2.83Å; S559-C561 PolarHBondContact O-N 3.27Å; S559-Q568 PolarHBondContact OG-NE2 3.21Å
560	A	97.4	Very high	95.9	Very high	54 Å²	54	51.5 Å²	51.5	45%	0.446	31%	0.31	S	S	.	.			trans	-61.3	130.7	177.1	0	0	0	0	0	110.2	F511 N562 Q568	F511-A560 HydrophobicContact CE1-CB 3.81Å; F511-A560 HydrophobicContact CZ-CB 4.5Å; A560-N562 PolarHBondContact O-N 3.31Å; A560-Q568 PolarHBondContact O-NE2 3.01Å
561	C	97	Very high	95.8	Very high	54 Å²	54	53 Å²	53	37%	0.365	32%	0.317	S	S	.	.			trans	-62.9	120.4	180	-72.4	0	0	0	0	111.6	K544 L545 C546 S559	K544-C561 PolarHBondContact O-SG 2.77Å; K544-C561 VanDerWaalsContact O-SG 3.33Å; L545-C561 VanDerWaalsContact C-SG 3.56Å; C546-C561 HydrophobicContact CB-CB 4Å; C546-C561 WeakPolarHBondContact CB-SG 3.2Å; C546-C561 PolarHBondContact N-SG 2.58Å; C546-C561 VanDerWaalsContact SG-CA 3.5Å; C546-C561 WeakPolarHBondContact SG-CB 3.24Å; C546-C561 CovalentContact SG-SG 2.04Å; C546-C561 PolarHBondContact SG-SG 3.3Å; S559-C561 PolarHBondContact O-N 3.27Å
562	N	96.4	Very high	95.8	Very high	75 Å²	75	51.1 Å²	51.1	40%	0.401	30%	0.304	S	S	.	.			trans	-145.3	114.8	176.4	-175	-11.4	0	0	0	109.9	Q537 A560 S564 V565 Q568	Q537-N562 PolarHBondContact NE2-O 3.26Å; A560-N562 PolarHBondContact O-N 3.31Å; N562-S564 PolarHBondContact O-N 3.34Å; N562-S564 WeakPolarHBondContact OD1-CB 3.26Å; N562-S564 PolarHBondContact OD1-N 3.16Å; N562-V565 HydrophobicContact CB-CB 4.24Å; N562-V565 HydrophobicContact CB-CG2 3.67Å; N562-V565 WeakPolarHBondContact O-CB 3.46Å; N562-V565 PolarHBondContact O-N 3.36Å; N562-V565 VanDerWaalsContact O-N 3.08Å; N562-Q568 PolarHBondContact O-OE1 3.39Å
563	Q	92.2	Very high	95.5	Very high	126 Å²	126	46.8 Å²	46.8	59%	0.589	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.2	-179.2	-72.9	174.3	66.7	0	0	113	K535 V565	K535-Q563 HydrophobicContact CB-CG 4.29Å; K535-Q563 HydrophobicContact CD-CG 4.27Å; K535-Q563 HydrophobicContact CG-CG 4.39Å; Q563-V565 VanDerWaalsContact C-N 3.25Å
564	S	94.3	Very high	94.5	Very high	103 Å²	103	49.2 Å²	49.2	72%	0.72	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-9.8	175	-52.1	0	0	0	0	112.6	N562 P566	N562-S564 PolarHBondContact O-N 3.34Å; N562-S564 WeakPolarHBondContact OD1-CB 3.26Å; N562-S564 PolarHBondContact OD1-N 3.16Å; S564-P566 VanDerWaalsContact O-CD 3.24Å; S564-P566 WeakPolarHBondContact O-CD 3.21Å
565	V	94.6	Very high	92.7	Very high	42 Å²	42	47.5 Å²	47.5	26%	0.255	27%	0.274	S	S	.	.			trans	-87.4	108.8	177.7	174.2	0	0	0	0	109.1	N562 Q563 S567 Q568	N562-V565 HydrophobicContact CB-CB 4.24Å; N562-V565 HydrophobicContact CB-CG2 3.67Å; N562-V565 WeakPolarHBondContact O-CB 3.46Å; N562-V565 PolarHBondContact O-N 3.36Å; N562-V565 VanDerWaalsContact O-N 3.08Å; Q563-V565 VanDerWaalsContact C-N 3.25Å; V565-S567 VanDerWaalsContact C-N 3.29Å; V565-S567 WeakPolarHBondContact CG1-OG 3.47Å; V565-S567 PolarHBondContact O-N 3.3Å; V565-Q568 HydrophobicContact CB-CG 4.26Å; V565-Q568 HydrophobicContact CG1-CG 3.92Å; V565-Q568 PolarHBondContact O-N 2.92Å; V565-Q568 VanDerWaalsContact O-N 3.17Å
566	P	92.5	Very high	90.5	Very high	78 Å²	78	55.9 Å²	55.9	51%	0.506	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-66.3	-30.9	-170.7	-22.1	36.1	0	0	0	113	V453 S564 Q568 S569	V453-P566 HydrophobicContact CB-CB 4.31Å; V453-P566 HydrophobicContact CG1-CB 4.24Å; V453-P566 HydrophobicContact CG2-CB 3.36Å; V453-P566 WeakPolarHBondContact CG2-O 3.24Å; S564-P566 VanDerWaalsContact O-CD 3.24Å; S564-P566 WeakPolarHBondContact O-CD 3.21Å; P566-Q568 PolarHBondContact O-N 3.07Å; P566-S569 VanDerWaalsContact O-CB 3.24Å; P566-S569 WeakPolarHBondContact O-CB 3.22Å; P566-S569 PolarHBondContact O-N 3.24Å; P566-S569 VanDerWaalsContact O-N 3.09Å
567	S	96.2	Very high	87.7	Confident	29 Å²	29	61.4 Å²	61.4	20%	0.203	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-66.3	-13.9	178.6	54.6	0	0	0	0	114.1	N451 D548 A549 V565 S569	N451-S567 PolarHBondContact ND2-O 3.47Å; D548-S567 WeakPolarHBondContact OD1-CB 3.44Å; D548-S567 PolarHBondContact OD1-OG 2.83Å; A549-S567 PolarHBondContact N-O 3.36Å; A549-S567 WeakPolarHBondContact O-CB 3.12Å; V565-S567 VanDerWaalsContact C-N 3.29Å; V565-S567 WeakPolarHBondContact CG1-OG 3.47Å; V565-S567 PolarHBondContact O-N 3.3Å; S567-S569 VanDerWaalsContact C-N 3.34Å
568	Q	97.2	Very high	84.8	Confident	5 Å²	5	68.7 Å²	68.7	2%	0.023	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-90.5	5.1	174	-64.6	-178.7	12.5	0	0	113.8	D548 S559 A560 N562 V565 P566 W570	D548-Q568 HydrophobicContact CB-CG 4Å; D548-Q568 VanDerWaalsContact CG-CG 3.46Å; D548-Q568 WeakPolarHBondContact OD2-CG 3.39Å; D548-Q568 PolarHBondContact OD2-NE2 3.2Å; D548-Q568 VanDerWaalsContact OD2-NE2 3.16Å; S559-Q568 PolarHBondContact OG-NE2 3.21Å; A560-Q568 PolarHBondContact O-NE2 3.01Å; N562-Q568 PolarHBondContact O-OE1 3.39Å; V565-Q568 HydrophobicContact CB-CG 4.26Å; V565-Q568 HydrophobicContact CG1-CG 3.92Å; V565-Q568 PolarHBondContact O-N 2.92Å; V565-Q568 VanDerWaalsContact O-N 3.17Å; P566-Q568 PolarHBondContact O-N 3.07Å; Q568-W570 VanDerWaalsContact C-CD1 3.49Å
569	S	96.8	Very high	84.2	Confident	28 Å²	28	72.2 Å²	72.2	20%	0.196	41%	0.41	C	S	.	.			trans	-94.2	113.9	-175.9	-160.9	0	0	0	0	111	L452 N536 P566 S567	L452-S569 WeakPolarHBondContact CB-O 3.39Å; L452-S569 WeakPolarHBondContact CD1-OG 3.12Å; L452-S569 PolarHBondContact N-O 2.94Å; N536-S569 CarbonylContact O-C 3.55Å; N536-S569 WeakPolarHBondContact O-CA 3.46Å; P566-S569 VanDerWaalsContact O-CB 3.24Å; P566-S569 WeakPolarHBondContact O-CB 3.22Å; P566-S569 PolarHBondContact O-N 3.24Å; P566-S569 VanDerWaalsContact O-N 3.09Å; S567-S569 VanDerWaalsContact C-N 3.34Å
570	W	96.8	Very high	83.5	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.9	-172.7	-56.4	92.6	0	0	0	112.7	I449 R450 N451 L471 Y531 N536 I538 L547 A549 V556 Q568	I449-W570 HydrophobicContact CG2-CD2 4.37Å; I449-W570 HydrophobicContact CG2-CE3 3.71Å; I449-W570 HydrophobicContact CG2-CZ3 4.29Å; R450-W570 CarbonylContact O-C 3.52Å; R450-W570 WeakPolarHBondContact O-CA 3.31Å; N451-W570 HydrophobicContact CB-CE3 3.89Å; N451-W570 HydrophobicContact CB-CH2 4.12Å; N451-W570 HydrophobicContact CB-CZ3 3.65Å; L471-W570 HydrophobicContact CD2-CH2 3.92Å; L471-W570 HydrophobicContact CD2-CZ3 4.01Å; Y531-W570 WeakPolarHBondContact CE2-O 3.49Å; Y531-W570 PolarHBondContact OH-O 3.18Å; Y531-W570 VanDerWaalsContact OH-O 3.05Å; N536-W570 WeakPolarHBondContact CB-O 3.46Å; N536-W570 PolarHBondContact O-N 2.93Å; I538-W570 HydrophobicContact CD1-CB 3.86Å; I538-W570 HydrophobicContact CD1-CG 4Å; I538-W570 HydrophobicContact CG1-CB 4.17Å; I538-W570 HydrophobicContact CG1-CG 4.37Å; L547-W570 HydrophobicContact CD2-CD2 4.19Å; L547-W570 HydrophobicContact CD2-CH2 4.23Å; L547-W570 HydrophobicContact CD2-CZ2 3.82Å; L547-W570 HydrophobicContact CG-CH2 4.49Å; L547-W570 HydrophobicContact CG-CZ2 3.76Å; L547-W570 PolarHBondContact O-NE1 3.34Å; A549-W570 HydrophobicContact CB-CH2 3.84Å; A549-W570 HydrophobicContact CB-CZ2 3.81Å; V556-W570 HydrophobicContact CG1-CH2 3.78Å; V556-W570 HydrophobicContact CG1-CZ2 4.36Å; Q568-W570 VanDerWaalsContact C-CD1 3.49Å
571	I	95.3	Very high	82.7	Confident	75 Å²	75	76.5 Å²	76.5	39%	0.385	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.3	164.7	-70.5	179.7	0	0	0	108.8	I449 R450 L452	I449-I571 WeakPolarHBondContact CA-O 3.43Å; R450-I571 PolarHBondContact N-O 3.07Å; R450-I571 PolarHBondContact O-N 3.4Å; L452-I571 HydrophobicContact CD1-CD1 4.12Å; L452-I571 HydrophobicContact CD1-CG1 3.88Å; L452-I571 HydrophobicContact CD2-CD1 3.41Å; L452-I571 VanDerWaalsContact CD2-CD1 3.41Å; L452-I571 HydrophobicContact CD2-CG1 3.92Å; L452-I571 HydrophobicContact CG-CD1 3.94Å; L452-I571 HydrophobicContact CG-CG1 3.85Å
572	F	94.2	Very high	81.8	Confident	12 Å²	12	77.8 Å²	77.8	5%	0.053	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.3	170.4	-160.4	165.8	0	0	0	109.6	I445 N448 I449 F487 Y489 I495 Y531	I445-F572 HydrophobicContact CG2-CB 4.22Å; I445-F572 HydrophobicContact CG2-CD2 3.81Å; I445-F572 HydrophobicContact CG2-CE2 4.32Å; I445-F572 HydrophobicContact CG2-CG 3.91Å; I445-F572 WeakPolarHBondContact CG2-O 3.39Å; N448-F572 WeakPolarHBondContact O-CA 3.46Å; I449-F572 HydrophobicContact CD1-CD1 4.12Å; I449-F572 HydrophobicContact CD1-CD2 4.43Å; I449-F572 HydrophobicContact CD1-CE1 3.74Å; I449-F572 HydrophobicContact CD1-CE2 4.12Å; I449-F572 HydrophobicContact CD1-CG 4.45Å; I449-F572 HydrophobicContact CD1-CZ 3.77Å; I449-F572 HydrophobicContact CG1-CB 4.49Å; I449-F572 HydrophobicContact CG1-CD1 3.91Å; I449-F572 HydrophobicContact CG1-CD2 3.57Å; I449-F572 HydrophobicContact CG1-CE1 3.91Å; I449-F572 HydrophobicContact CG1-CE2 3.62Å; I449-F572 HydrophobicContact CG1-CG 3.74Å; I449-F572 HydrophobicContact CG1-CZ 3.8Å; F487-F572 HydrophobicContact CB-CE2 3.82Å; F487-F572 HydrophobicContact CB-CZ 3.62Å; Y489-F572 HydrophobicContact CG-CE1 4.48Å; I495-F572 HydrophobicContact CD1-CE1 4.32Å; I495-F572 HydrophobicContact CG1-CE1 4.23Å; I495-F572 HydrophobicContact CG2-CE1 4.08Å; I495-F572 HydrophobicContact CG2-CZ 4.28Å; Y531-F572 HydrophobicContact CD1-CB 4.24Å; Y531-F572 HydrophobicContact CE1-CB 3.83Å; Y531-F572 HydrophobicContact CE2-CB 4.27Å; Y531-F572 PolarHBondContact OH-N 3.4Å; Y531-F572 VanDerWaalsContact OH-N 3.13Å
573	G	87.6	Confident	80.9	Confident	13 Å²	13	78 Å²	78	13%	0.134	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158	-168.2	170.3	0	0	0	0	0	113.1	E446 N448 L575	E446-G573 CarbonylContact O-C 3.6Å; N448-G573 PolarHBondContact N-O 3.34Å; N448-G573 PolarHBondContact O-N 3.19Å; G573-L575 PolarHBondContact O-N 3.29Å
574	K	72.9	Confident	80.2	Confident	187 Å²	187	74.8 Å²	74.8	81%	0.813	42%	0.422	S	S	*	.			trans	-60.5	129.4	173.7	-70.1	-176.5	179.1	179.3	0	109.8	R576	K574-R576 PolarHBondContact O-N 2.84Å
575	L	59.7	Low	79.2	Confident	45 Å²	45	72.8 Å²	72.8	24%	0.236	40%	0.4	C	S	.	.			trans	-56.2	111.7	168.1	-72.9	167.9	0	0	0	108	N448 K476 G573	N448-L575 HydrophobicContact CB-CG 4.33Å; N448-L575 WeakPolarHBondContact ND2-CD1 3.32Å; K476-L575 HydrophobicContact CG-CD1 3.89Å; G573-L575 PolarHBondContact O-N 3.29Å
576	R	49	Very low	78	Confident	209 Å²	209	75.2 Å²	75.2	79%	0.789	41%	0.411	S	S	*	.			trans	-61.9	143.6	169.6	-70.5	-176.1	179.8	177.6	-2.5	108.3	K574 S578	K574-R576 PolarHBondContact O-N 2.84Å; R576-S578 PolarHBondContact O-N 3.11Å
577	P	39.7	Very low	76.8	Confident	118 Å²	118	74.9 Å²	74.9	77%	0.766	40%	0.403	S	S	*	.			trans	-54.2	129.2	163.1	-15.2	28.6	0	0	0	107.4
578	S	35.9	Very low	75	Confident	178 Å²	178	79.1 Å²	79.1	100%	1.245	42%	0.422	S	S	*	.			trans	-63.3	0	168.4	46.5	0	0	0	0	109.9	R576	R576-S578 PolarHBondContact O-N 3.11Å

Retrieved 578 of 578 residues in 476.8 ms (Link to these results)

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