A0A5K4F0H9_SCHMA Loading...

Choline dehydrogenase

AlphaFold DB , UniProt , Accession A0A5K4F0H9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 652 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	41.4	Very low	195 Å²	195	126.5 Å²	126.5	96%	0.961	68%	0.679	S	S	*	*				0	-48.3	0	-76	-153.3	-135.7	0	0	112.7	Y3 V4 N5	M1-Y3 VanDerWaalsContact C-N 3.26Å; M1-Y3 PolarHBondContact O-N 2.94Å; M1-V4 PolarHBondContact O-N 3.05Å; M1-N5 PolarHBondContact O-N 3.45Å; M1-N5 VanDerWaalsContact O-N 3.11Å
2	N	37.7	Very low	40.9	Very low	144 Å²	144	123.4 Å²	123.4	77%	0.77	67%	0.673	S	S	*	*	H	α-helix	trans	-58.2	-31.6	-179.1	-66.3	-4.4	0	0	0	114.9	S6	N2-S6 PolarHBondContact O-N 3.04Å
3	Y	39.6	Very low	40.7	Very low	192 Å²	192	130.5 Å²	130.5	75%	0.753	69%	0.686	S	S	*	*	H	α-helix	trans	-73.9	-23.7	175.1	-161.2	-98.3	0	0	0	113.8	M1 S6 V7	M1-Y3 VanDerWaalsContact C-N 3.26Å; M1-Y3 PolarHBondContact O-N 2.94Å; Y3-S6 PolarHBondContact O-OG 2.89Å; Y3-V7 WeakPolarHBondContact O-CG2 3.31Å
4	V	45.9	Very low	40.5	Very low	90 Å²	90	132.6 Å²	132.6	55%	0.545	70%	0.697	S	S	.	*	H	α-helix	trans	-83.5	-36.5	177.7	178.1	0	0	0	0	110.1	M1 V7 L8	M1-V4 PolarHBondContact O-N 3.05Å; V4-V7 PolarHBondContact O-N 3.08Å; V4-L8 HydrophobicContact CG1-CD1 4.23Å; V4-L8 PolarHBondContact O-N 3.44Å
5	N	43.7	Very low	40.4	Very low	89 Å²	89	134.5 Å²	134.5	48%	0.476	70%	0.697	S	S	.	*	H	α-helix	trans	-69.2	-35.3	177.2	-73.5	-8.2	0	0	0	112.6	M1 V7 L8 E9	M1-N5 PolarHBondContact O-N 3.45Å; M1-N5 VanDerWaalsContact O-N 3.11Å; N5-V7 PolarHBondContact O-N 2.82Å; N5-L8 PolarHBondContact O-N 3.39Å; N5-E9 PolarHBondContact O-N 2.89Å
6	S	43.5	Very low	40.1	Very low	59 Å²	59	137.6 Å²	137.6	41%	0.413	70%	0.699	S	S	.	*	H	α-helix	trans	-68	-25.3	177.1	77.9	0	0	0	0	113.3	N2 Y3	N2-S6 PolarHBondContact O-N 3.04Å; Y3-S6 PolarHBondContact O-OG 2.89Å
7	V	43.4	Very low	40	Very low	87 Å²	87	140.4 Å²	140.4	53%	0.527	70%	0.7	S	S	.	*	H	α-helix	trans	-82.5	-26.4	177.8	176.2	0	0	0	0	111.4	Y3 V4 N5	Y3-V7 WeakPolarHBondContact O-CG2 3.31Å; V4-V7 PolarHBondContact O-N 3.08Å; N5-V7 PolarHBondContact O-N 2.82Å
8	L	44.8	Very low	39.9	Very low	131 Å²	131	138.9 Å²	138.9	69%	0.686	69%	0.691	S	S	*	*	H	α-helix	trans	-84.4	-29.7	177.1	-69.8	172.9	0	0	0	113.2	V4 N5 Q10	V4-L8 HydrophobicContact CG1-CD1 4.23Å; V4-L8 PolarHBondContact O-N 3.44Å; N5-L8 PolarHBondContact O-N 3.39Å; L8-Q10 VanDerWaalsContact C-N 3.34Å
9	E	46.3	Very low	39.7	Very low	172 Å²	172	137.2 Å²	137.2	80%	0.804	68%	0.684	S	S	*	*	H	α-helix	trans	-75.7	-20.5	177.2	-78	-175.6	164.3	0	0	113.7	N5 G11	N5-E9 PolarHBondContact O-N 2.89Å; E9-G11 PolarHBondContact O-N 2.64Å
10	Q	37.3	Very low	39.8	Very low	153 Å²	153	136 Å²	136	72%	0.715	68%	0.678	S	S	*	*	S	Bend	trans	-97.2	77.4	176.7	-65.2	-172.2	-0	0	0	110.3	L8 C12	L8-Q10 VanDerWaalsContact C-N 3.34Å; Q10-C12 PolarHBondContact O-N 2.87Å
11	G	34.5	Very low	39.8	Very low	80 Å²	80	136 Å²	136	83%	0.825	67%	0.674	S	S	*	*			trans	-58	67	179.9	0	0	0	0	0	115.7	E9	E9-G11 PolarHBondContact O-N 2.64Å
12	C	34.8	Very low	39.7	Very low	89 Å²	89	133.3 Å²	133.3	60%	0.601	66%	0.659	S	S	*	*			trans	-112.6	19.5	-176.4	-92.7	0	0	0	0	113.9	Q10 L14	Q10-C12 PolarHBondContact O-N 2.87Å; C12-L14 PolarHBondContact O-N 3.48Å
13	Y	38	Very low	39.6	Very low	216 Å²	216	133.7 Å²	133.7	85%	0.847	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-15.6	177.4	-107.8	-85.6	0	0	0	114.4
14	L	38.8	Very low	39.4	Very low	159 Å²	159	134.7 Å²	134.7	83%	0.832	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-9.4	-178.1	-82.5	159.3	0	0	0	115.1	C12	C12-L14 PolarHBondContact O-N 3.48Å
15	K	38.5	Very low	38.9	Very low	161 Å²	161	139 Å²	139	70%	0.7	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-19.2	178.7	-100	-179.5	176.8	176.8	0	115
16	Y	34.9	Very low	38.3	Very low	185 Å²	185	142.1 Å²	142.1	73%	0.725	68%	0.68	S	S	*	*	H	α-helix	trans	-77.5	-27.8	179.3	-142.9	-93.8	0	0	0	112.7	I20	Y16-I20 HydrophobicContact CD1-CD1 4.09Å; Y16-I20 HydrophobicContact CE1-CD1 4Å
17	Y	38.5	Very low	37.8	Very low	184 Å²	184	148.5 Å²	148.5	72%	0.722	70%	0.7	S	S	*	*	H	α-helix	trans	-78.3	-31.7	-177.2	-139.6	-91.7	0	0	0	113.3
18	E	38.4	Very low	37.3	Very low	115 Å²	115	153.4 Å²	153.4	54%	0.537	72%	0.717	S	S	.	*	H	α-helix	trans	-79.7	-31.8	178.5	-79.4	-66.6	142.6	0	0	113	I20 K21 H22	E18-I20 VanDerWaalsContact C-N 3.33Å; E18-I20 PolarHBondContact O-N 3.32Å; E18-K21 PolarHBondContact O-N 2.75Å; E18-H22 PolarHBondContact O-N 2.99Å
19	L	36.6	Very low	36.7	Very low	106 Å²	106	154 Å²	154	56%	0.555	72%	0.719	S	S	*	*	H	α-helix	trans	-70	-27.9	-179	-110.6	136.8	0	0	0	113.4
20	I	41.8	Very low	36	Very low	112 Å²	112	152 Å²	152	57%	0.574	72%	0.718	S	S	*	*	H	α-helix	trans	-77.2	-27.4	176.8	-64.3	178.2	0	0	0	111.7	Y16 E18	Y16-I20 HydrophobicContact CD1-CD1 4.09Å; Y16-I20 HydrophobicContact CE1-CD1 4Å; E18-I20 VanDerWaalsContact C-N 3.33Å; E18-I20 PolarHBondContact O-N 3.32Å
21	K	40.5	Very low	35.6	Very low	137 Å²	137	154.3 Å²	154.3	60%	0.596	73%	0.726	S	S	*	*	H	α-helix	trans	-75.1	-32.5	177.4	-88	-174.9	175.1	178.4	0	113.5	E18	E18-K21 PolarHBondContact O-N 2.75Å
22	H	37.3	Very low	35.4	Very low	139 Å²	139	162 Å²	162	64%	0.644	73%	0.73	S	S	*	*	H	α-helix	trans	-96.3	-20.2	-170.7	-98.6	-84.1	0	0	0	116.4	E18	E18-H22 PolarHBondContact O-N 2.99Å
23	Q	35.9	Very low	35.3	Very low	152 Å²	152	166.2 Å²	166.2	71%	0.71	75%	0.746	S	S	*	*	H	α-helix	trans	-94.5	-16.5	-178	-85.2	-168.6	-14.4	0	0	116.1
24	Y	34.5	Very low	35	Very low	212 Å²	212	164.9 Å²	164.9	83%	0.831	75%	0.745	S	S	*	*	S	Bend	trans	-94.3	-11.6	178.2	-100.5	-85.9	0	0	0	115.2
25	Y	34.4	Very low	34.5	Very low	180 Å²	180	167.2 Å²	167.2	71%	0.706	75%	0.749	S	S	*	*	S	Bend	trans	-101.2	-7	-172.5	-101.3	-82.8	0	0	0	116.9
26	H	32.2	Very low	34.1	Very low	156 Å²	156	165.2 Å²	165.2	72%	0.722	75%	0.75	S	S	*	*	S	Bend	trans	-125.9	11.8	-169.6	-96.4	-66.6	0	0	0	118.9
27	K	33	Very low	33.9	Very low	193 Å²	193	162.1 Å²	162.1	84%	0.839	76%	0.755	S	S	*	*	S	Bend	trans	-109.5	5.2	178.8	-119	-179.4	-178.5	-179.8	0	118.4
28	H	31.7	Very low	33.5	Very low	190 Å²	190	158.8 Å²	158.8	88%	0.88	76%	0.758	S	S	*	*	S	Bend	trans	-134.1	7.7	178	-84.8	-60.8	0	0	0	118.1
29	I	33.2	Very low	33.1	Very low	144 Å²	144	158.5 Å²	158.5	74%	0.738	77%	0.768	S	S	*	*	S	Bend	trans	-97.9	-5	-176.8	-69.1	177.7	0	0	0	115.2
30	T	31.3	Very low	33	Very low	128 Å²	128	159.4 Å²	159.4	79%	0.785	78%	0.778	S	S	*	*	S	Bend	trans	-118.4	79.4	176.7	41.2	0	0	0	0	112.3
31	K	29.9	Very low	32.6	Very low	203 Å²	203	159.4 Å²	159.4	88%	0.883	78%	0.783	S	S	*	*	S	Bend	trans	172	76.5	146	-98.5	172.7	-179.1	-178.1	0	111.3
32	R	29.7	Very low	32.3	Very low	240 Å²	240	159.7 Å²	159.7	91%	0.906	79%	0.791	S	S	*	*			trans	-166.6	49	151.9	-112.9	173.3	-175.1	-173.7	1.5	111.7	F34	R32-F34 VanDerWaalsContact C-N 3.26Å; R32-F34 PolarHBondContact O-N 3.13Å
33	L	31.7	Very low	32.4	Very low	179 Å²	179	158.3 Å²	158.3	94%	0.937	79%	0.785	S	S	*	*			trans	-83.9	75.9	160.4	-79.4	163.3	0	0	0	107.9
34	F	31.7	Very low	32.9	Very low	187 Å²	187	159.5 Å²	159.5	82%	0.82	79%	0.788	S	S	*	*			trans	-127.2	106.9	164.9	-93.7	-80.3	0	0	0	109.1	R32 T36	R32-F34 VanDerWaalsContact C-N 3.26Å; R32-F34 PolarHBondContact O-N 3.13Å; F34-T36 PolarHBondContact O-N 3.49Å
35	K	29.9	Very low	33.6	Very low	209 Å²	209	151.7 Å²	151.7	91%	0.909	76%	0.76	S	S	*	*			trans	-11.1	102.5	158.9	-67.5	172.2	174.1	178	0	114.1
36	T	29.8	Very low	34.3	Very low	119 Å²	119	145.6 Å²	145.6	73%	0.73	74%	0.742	S	S	*	*			trans	-123.9	113.7	147.6	41.1	0	0	0	0	107.2	F34 C38	F34-T36 PolarHBondContact O-N 3.49Å; T36-C38 PolarHBondContact O-N 3.4Å
37	S	30.2	Very low	35.1	Very low	119 Å²	119	145.2 Å²	145.2	83%	0.832	74%	0.744	S	S	*	*			trans	-57.6	99.4	168.4	48.6	0	0	0	0	109	S39	S37-S39 PolarHBondContact O-N 2.92Å
38	C	30	Very low	36.1	Very low	115 Å²	115	137.2 Å²	137.2	78%	0.777	71%	0.711	S	S	*	*			trans	-81.4	94.3	171.6	-83.9	0	0	0	0	109	T36	T36-C38 PolarHBondContact O-N 3.4Å
39	S	29.9	Very low	37.3	Very low	108 Å²	108	135.4 Å²	135.4	76%	0.755	70%	0.701	S	S	*	*			trans	-65	128.5	157	43.6	0	0	0	0	109.5	S37	S37-S39 PolarHBondContact O-N 2.92Å
40	V	34	Very low	38.5	Very low	125 Å²	125	132.8 Å²	132.8	76%	0.758	70%	0.696	S	S	*	*			trans	29.1	98.6	162.9	-165.9	0	0	0	0	115.8	N42	V40-N42 PolarHBondContact O-N 2.99Å
41	T	32.9	Very low	39.8	Very low	112 Å²	112	133.6 Å²	133.6	69%	0.687	70%	0.695	S	S	*	*			trans	-55.6	98.9	163.9	41.6	0	0	0	0	110	H43	T41-H43 PolarHBondContact O-N 3.28Å
42	N	34.2	Very low	41.5	Very low	144 Å²	144	128.1 Å²	128.1	77%	0.77	68%	0.675	S	S	*	*			trans	-56.7	105	159.8	-84.8	-24	0	0	0	107.4	V40 K44	V40-N42 PolarHBondContact O-N 2.99Å; N42-K44 PolarHBondContact O-N 3.32Å
43	H	39.5	Very low	43.5	Very low	109 Å²	109	118 Å²	118	51%	0.505	64%	0.638	S	S	.	*			trans	-53	110.4	172	-68	-67	0	0	0	108.2	T41 I45	T41-H43 PolarHBondContact O-N 3.28Å; H43-I45 PolarHBondContact O-N 3.13Å
44	K	46.9	Very low	45	Very low	178 Å²	178	120.4 Å²	120.4	77%	0.774	64%	0.635	S	S	*	*			trans	-76.1	80.6	173.5	-75.4	-172.9	179.5	-179.7	0	107.4	N42 P46	N42-K44 PolarHBondContact O-N 3.32Å; K44-P46 WeakPolarHBondContact O-CD 3.4Å
45	I	48.7	Very low	47.2	Very low	48 Å²	48	116 Å²	116	25%	0.246	62%	0.62	C	S	.	*			trans	-52.3	126.1	157.4	-56.7	178.3	0	0	0	105.3	H43 I47 F285 G287	H43-I45 PolarHBondContact O-N 3.13Å; I45-I47 VanDerWaalsContact C-N 3.31Å; I45-I47 WeakPolarHBondContact O-CG1 3.23Å; I45-I47 PolarHBondContact O-N 3.09Å; I45-F285 HydrophobicContact CG2-CB 4.08Å; I45-F285 VanDerWaalsContact CG2-O 3.29Å; I45-F285 WeakPolarHBondContact CG2-O 3.46Å; I45-G287 VanDerWaalsContact CD1-CA 3.49Å
46	P	49.8	Very low	50.1	Low	51 Å²	51	108 Å²	108	33%	0.331	59%	0.59	S	S	.	*			trans	-65.1	96.2	179.7	20.1	-26.1	0	0	0	108.7	K44 V48	K44-P46 WeakPolarHBondContact O-CD 3.4Å; P46-V48 PolarHBondContact O-N 3.4Å; P46-V48 VanDerWaalsContact O-N 3.15Å
47	I	48.8	Very low	53.3	Low	148 Å²	148	103 Å²	103	76%	0.759	56%	0.558	S	S	*	*			trans	-72.2	106.4	178	-55.2	176.1	0	0	0	107.2	I45	I45-I47 VanDerWaalsContact C-N 3.31Å; I45-I47 WeakPolarHBondContact O-CG1 3.23Å; I45-I47 PolarHBondContact O-N 3.09Å
48	V	55.1	Low	56.5	Low	26 Å²	26	99.1 Å²	99.1	16%	0.158	53%	0.526	C	S	.	.			trans	-82.1	133	169.7	-178.6	0	0	0	0	107.4	P46 D52 F53 L284	P46-V48 PolarHBondContact O-N 3.4Å; P46-V48 VanDerWaalsContact O-N 3.15Å; V48-D52 HydrophobicContact CG1-CB 3.74Å; V48-D52 WeakPolarHBondContact CG1-OD2 3.25Å; V48-F53 HydrophobicContact CB-CE2 4.4Å; V48-F53 HydrophobicContact CB-CZ 4.25Å; V48-F53 HydrophobicContact CG1-CD2 4.5Å; V48-F53 HydrophobicContact CG1-CE1 4.37Å; V48-F53 HydrophobicContact CG1-CE2 3.73Å; V48-F53 HydrophobicContact CG1-CZ 3.66Å; V48-L284 HydrophobicContact CG2-CB 4.18Å; V48-L284 HydrophobicContact CG2-CD1 3.99Å; V48-L284 HydrophobicContact CG2-CD2 3.8Å; V48-L284 HydrophobicContact CG2-CG 4.18Å
49	K	55.8	Low	59.8	Low	151 Å²	151	94 Å²	94	66%	0.657	49%	0.491	S	S	*	.			trans	-77.9	146.5	177.1	-68.4	-176.5	179.3	-178.4	0	108.7	D51 D52	K49-D51 PolarHBondContact O-N 3.18Å; K49-D52 PolarHBondContact N-OD2 3.38Å; K49-D52 WeakPolarHBondContact O-CB 3.49Å; K49-D52 PolarHBondContact O-N 2.96Å
50	S	58	Low	63.1	Low	90 Å²	90	88.8 Å²	88.8	63%	0.629	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-49.6	-34.5	178.5	50.6	0	0	0	0	113.2	D52 F53	S50-D52 PolarHBondContact O-N 3.01Å; S50-F53 WeakPolarHBondContact O-CD2 3.26Å; S50-F53 PolarHBondContact O-N 3.24Å
51	D	59.8	Low	66.2	Low	144 Å²	144	82.9 Å²	82.9	77%	0.77	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-76.4	-10.1	-174.1	-53	-14.6	0	0	0	113.1	K49 F53	K49-D51 PolarHBondContact O-N 3.18Å; D51-F53 PolarHBondContact O-N 3.49Å
52	D	65.8	Low	69.3	Low	89 Å²	89	78.2 Å²	78.2	48%	0.476	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-74.2	-17.6	177.1	-65.1	-34.5	0	0	0	112.2	V48 K49 S50	V48-D52 HydrophobicContact CG1-CB 3.74Å; V48-D52 WeakPolarHBondContact CG1-OD2 3.25Å; K49-D52 PolarHBondContact N-OD2 3.38Å; K49-D52 WeakPolarHBondContact O-CB 3.49Å; K49-D52 PolarHBondContact O-N 2.96Å; S50-D52 PolarHBondContact O-N 3.01Å
53	F	70.5	Confident	72.4	Confident	28 Å²	28	71.9 Å²	71.9	12%	0.123	36%	0.358	C	S	.	.			trans	-89.8	110.1	-176.5	-61.4	-74.6	0	0	0	111.5	V48 S50 D51 L284 V303 R305	V48-F53 HydrophobicContact CB-CE2 4.4Å; V48-F53 HydrophobicContact CB-CZ 4.25Å; V48-F53 HydrophobicContact CG1-CD2 4.5Å; V48-F53 HydrophobicContact CG1-CE1 4.37Å; V48-F53 HydrophobicContact CG1-CE2 3.73Å; V48-F53 HydrophobicContact CG1-CZ 3.66Å; S50-F53 WeakPolarHBondContact O-CD2 3.26Å; S50-F53 PolarHBondContact O-N 3.24Å; D51-F53 PolarHBondContact O-N 3.49Å; F53-L284 HydrophobicContact CE1-CD1 4.32Å; F53-V303 HydrophobicContact CD1-CG1 3.47Å; F53-V303 VanDerWaalsContact CD1-CG1 3.47Å; F53-V303 HydrophobicContact CE1-CG1 3.35Å; F53-V303 HydrophobicContact CG-CG1 4.47Å; F53-V303 HydrophobicContact CZ-CG1 4.25Å; F53-R305 HydrophobicContact CB-CB 4.05Å; F53-R305 HydrophobicContact CD1-CB 3.42Å; F53-R305 VanDerWaalsContact CD1-CB 3.42Å; F53-R305 HydrophobicContact CD1-CG 4.17Å; F53-R305 HydrophobicContact CD2-CB 4.32Å; F53-R305 HydrophobicContact CD2-CG 4.39Å; F53-R305 HydrophobicContact CE1-CB 3.83Å; F53-R305 HydrophobicContact CE1-CG 4.22Å; F53-R305 HydrophobicContact CE2-CG 4.47Å; F53-R305 HydrophobicContact CG-CB 3.69Å; F53-R305 HydrophobicContact CG-CG 4.25Å; F53-R305 HydrophobicContact CZ-CB 4.45Å; F53-R305 HydrophobicContact CZ-CG 4.38Å
54	R	63.9	Low	75.2	Confident	228 Å²	228	66.7 Å²	66.7	86%	0.86	33%	0.334	S	S	*	.	S	Bend	trans	-77.1	-27.1	175.1	-69.6	-169.9	-177.9	-175.7	1	114.1
55	N	78.3	Confident	77.7	Confident	96 Å²	96	58.8 Å²	58.8	51%	0.513	30%	0.303	S	S	.	.			trans	-142.8	142.2	-177.6	-70.1	-42.5	0	0	0	110.2	Y57 R305	N55-Y57 HydrophobicContact CB-CE2 3.72Å; N55-R305 PolarHBondContact O-N 3.2Å
56	S	89.4	Confident	80.1	Confident	40 Å²	40	57.1 Å²	57.1	28%	0.28	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	145.8	170.1	69.7	0	0	0	0	111.7	K87 E307	S56-K87 WeakPolarHBondContact O-CE 3.42Å; S56-K87 PolarHBondContact O-NZ 2.77Å; S56-E307 WeakPolarHBondContact CB-OE1 2.86Å; S56-E307 PolarHBondContact OG-OE1 2.84Å
57	Y	97.8	Very high	82.4	Confident	15 Å²	15	54.9 Å²	54.9	6%	0.059	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	148.3	176.7	-62	-92	0	0	0	108.2	N55 K87 L89 R305 A306 E307	N55-Y57 HydrophobicContact CB-CE2 3.72Å; Y57-K87 HydrophobicContact CD1-CD 4.29Å; Y57-K87 HydrophobicContact CD1-CG 3.9Å; Y57-K87 HydrophobicContact CE1-CG 4.48Å; Y57-L89 HydrophobicContact CD1-CB 3.6Å; Y57-L89 HydrophobicContact CD2-CB 3.69Å; Y57-L89 HydrophobicContact CD2-CD2 3.89Å; Y57-L89 HydrophobicContact CD2-CG 4.36Å; Y57-L89 HydrophobicContact CE1-CB 3.82Å; Y57-L89 HydrophobicContact CE1-CD1 4.43Å; Y57-L89 HydrophobicContact CE2-CB 3.9Å; Y57-L89 HydrophobicContact CE2-CD1 4.32Å; Y57-L89 HydrophobicContact CE2-CD2 3.72Å; Y57-L89 HydrophobicContact CE2-CG 4.2Å; Y57-L89 HydrophobicContact CG-CB 3.54Å; Y57-R305 PolarHBondContact N-O 3.18Å; Y57-A306 CarbonylContact O-C 3.54Å; Y57-A306 WeakPolarHBondContact O-CA 3.43Å; Y57-E307 PolarHBondContact O-N 3.17Å
58	E	98	Very high	84.8	Confident	36 Å²	36	47.8 Å²	47.8	17%	0.168	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-45.6	174.2	-166	-177.7	161.8	0	0	110.1	S86 K87 S308 E309 R616	E58-S86 PolarHBondContact OE1-OG 3.16Å; E58-S86 WeakPolarHBondContact OE2-CA 3.5Å; E58-S86 WeakPolarHBondContact OE2-CB 3.5Å; E58-S86 PolarHBondContact OE2-OG 3.31Å; E58-K87 WeakPolarHBondContact CB-O 3.41Å; E58-K87 PolarHBondContact N-O 2.74Å; E58-S308 WeakPolarHBondContact CG-OG 3.4Å; E58-S308 WeakPolarHBondContact O-CA 3.47Å; E58-S308 VanDerWaalsContact O-CB 3.26Å; E58-S308 WeakPolarHBondContact O-CB 3.39Å; E58-S308 PolarHBondContact O-N 2.71Å; E58-E309 PolarHBondContact O-N 2.57Å; E58-R616 WeakPolarHBondContact OE1-CD 3.22Å; E58-R616 WeakPolarHBondContact OE1-CG 3.38Å
59	Y	98.8	Very high	86.9	Confident	7 Å²	7	46.6 Å²	46.6	3%	0.027	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.1	176.7	-62	-77.7	0	0	0	112.1	L75 S86 K87 V88 L89 E309 I311 I612	Y59-L75 HydrophobicContact CD2-CD1 4.21Å; Y59-L75 HydrophobicContact CG-CD1 4.18Å; Y59-S86 WeakPolarHBondContact CE2-OG 3.35Å; Y59-K87 PolarHBondContact N-O 2.97Å; Y59-V88 WeakPolarHBondContact O-CA 3.43Å; Y59-L89 PolarHBondContact O-N 2.85Å; Y59-E309 WeakPolarHBondContact CA-O 3.23Å; Y59-E309 HydrophobicContact CD1-CB 3.82Å; Y59-E309 HydrophobicContact CD1-CG 4.38Å; Y59-E309 HydrophobicContact CE1-CB 3.85Å; Y59-E309 HydrophobicContact CE1-CG 3.89Å; Y59-I311 HydrophobicContact CD1-CD1 3.93Å; Y59-I311 HydrophobicContact CG-CD1 4.47Å; Y59-I612 HydrophobicContact CE1-CG2 3.69Å; Y59-I612 HydrophobicContact CE2-CG2 4.28Å; Y59-I612 WeakPolarHBondContact OH-CG2 2.96Å
60	I	98.8	Very high	88.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.1	167	-60.4	-178.5	0	0	0	108.5	I62 L89 L91 V293 A304 A306 E309 I311	I60-I62 HydrophobicContact CG2-CG1 4.38Å; I60-L89 CarbonylContact C-O 3.47Å; I60-L89 WeakPolarHBondContact CA-O 3.35Å; I60-L89 HydrophobicContact CD1-CD2 4.42Å; I60-L89 HydrophobicContact CG1-CB 4.32Å; I60-L89 HydrophobicContact CG1-CD2 4.37Å; I60-L89 HydrophobicContact CG2-CD2 4.44Å; I60-L91 HydrophobicContact CG2-CD1 4.17Å; I60-V293 HydrophobicContact CD1-CG2 4.12Å; I60-V293 HydrophobicContact CG2-CG1 4.38Å; I60-V293 HydrophobicContact CG2-CG2 3.98Å; I60-A304 HydrophobicContact CD1-CB 3.72Å; I60-A304 WeakPolarHBondContact CD1-O 3.15Å; I60-A306 HydrophobicContact CB-CB 4.48Å; I60-A306 HydrophobicContact CD1-CB 3.98Å; I60-A306 HydrophobicContact CG1-CB 3.97Å; I60-E309 PolarHBondContact N-O 2.5Å; I60-E309 VanDerWaalsContact N-O 3.1Å; I60-I311 PolarHBondContact O-N 3.48Å
61	I	98.9	Very high	90.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.6	176.3	-58.9	167.3	0	0	0	108.9	L71 A72 L75 V88 L89 V90 L91 I311	I61-L71 HydrophobicContact CD1-CB 3.62Å; I61-L71 HydrophobicContact CG1-CB 4.46Å; I61-A72 HydrophobicContact CD1-CB 4.18Å; I61-L75 HydrophobicContact CD1-CD1 4.5Å; I61-V88 HydrophobicContact CD1-CG1 3.61Å; I61-V88 HydrophobicContact CG1-CG1 4.17Å; I61-L89 PolarHBondContact N-O 2.93Å; I61-V90 HydrophobicContact CB-CG2 4.31Å; I61-V90 HydrophobicContact CD1-CG2 4.31Å; I61-V90 WeakPolarHBondContact O-CA 3.41Å; I61-L91 PolarHBondContact O-N 3.44Å; I61-I311 WeakPolarHBondContact CA-O 3.24Å; I61-I311 HydrophobicContact CG1-CB 4.45Å; I61-I311 HydrophobicContact CG1-CD1 4.38Å
62	I	98.9	Very high	92.7	Very high	15 Å²	15	28.2 Å²	28.2	8%	0.077	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	108.8	-178	-51.5	-179.6	0	0	0	109.7	I60 V280 V293 V310 I311 L312 S313 G314 L322	I60-I62 HydrophobicContact CG2-CG1 4.38Å; I62-V280 HydrophobicContact CB-CG2 4.45Å; I62-V280 HydrophobicContact CD1-CB 4.42Å; I62-V280 HydrophobicContact CD1-CG1 4Å; I62-V280 HydrophobicContact CD1-CG2 4.18Å; I62-V280 HydrophobicContact CG1-CG2 4.16Å; I62-V280 HydrophobicContact CG2-CB 3.9Å; I62-V280 HydrophobicContact CG2-CG2 3.62Å; I62-V293 HydrophobicContact CD1-CG1 3.66Å; I62-V293 HydrophobicContact CG1-CG1 4.48Å; I62-V310 HydrophobicContact CD1-CG1 3.76Å; I62-V310 HydrophobicContact CG1-CG1 4.36Å; I62-I311 PolarHBondContact N-O 3.23Å; I62-L312 HydrophobicContact CB-CD2 4.18Å; I62-L312 HydrophobicContact CD1-CD2 3.35Å; I62-L312 HydrophobicContact CG1-CD2 4.11Å; I62-S313 CarbonylContact O-C 3.57Å; I62-S313 WeakPolarHBondContact O-CA 3.46Å; I62-S313 WeakPolarHBondContact O-CB 2.92Å; I62-S313 PolarHBondContact O-N 2.81Å; I62-G314 PolarHBondContact O-N 3.05Å; I62-L322 HydrophobicContact CD1-CD2 3.73Å; I62-L322 HydrophobicContact CG2-CD2 4.15Å
63	G	98.8	Very high	94.3	Very high	10 Å²	10	24.6 Å²	24.6	10%	0.103	12%	0.12	C	C	.	.			trans	99.4	121.5	-176.5	0	0	0	0	0	111.9	G65 G68 L91	G63-G65 PolarHBondContact O-N 3.26Å; G63-G68 WeakPolarHBondContact O-CA 3.47Å; G63-L91 WeakPolarHBondContact CA-O 3.45Å; G63-L91 PolarHBondContact N-O 3.39Å
64	A	98.6	Very high	95.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.			trans	-93.4	38.8	174	0	0	0	0	0	111.3	C69 V90 E92 L145 G146 G147 L262	A64-C69 PolarHBondContact O-SG 2.65Å; A64-V90 HydrophobicContact CB-CG1 3.79Å; A64-E92 HydrophobicContact CB-CB 3.77Å; A64-E92 HydrophobicContact CB-CG 4.07Å; A64-E92 PolarHBondContact N-OE2 3.21Å; A64-L145 HydrophobicContact CB-CD2 3.51Å; A64-G146 CarbonylContact O-C 3.6Å; A64-G146 WeakPolarHBondContact O-CA 3.31Å; A64-G146 PolarHBondContact O-N 2.68Å; A64-G147 PolarHBondContact O-N 3.34Å; A64-L262 HydrophobicContact CB-CD2 4.25Å
65	G	98.7	Very high	97.3	Very high	12 Å²	12	15.2 Å²	15.2	12%	0.124	8%	0.084	C	C	.	.	S	Bend	trans	-70.5	-162.6	171.2	0	0	0	0	0	112.7	G63 A67 G68 C69	G63-G65 PolarHBondContact O-N 3.26Å; G65-A67 PolarHBondContact O-N 2.81Å; G65-G68 PolarHBondContact O-N 2.87Å; G65-C69 WeakPolarHBondContact O-CB 3.25Å; G65-C69 PolarHBondContact O-N 3.28Å; G65-C69 PolarHBondContact O-SG 3.05Å
66	S	98.8	Very high	98.3	Very high	14 Å²	14	10.7 Å²	10.7	10%	0.098	6%	0.06	C	C	.	.	H	α-helix	trans	-57.1	-48.1	-180	-52.3	0	0	0	0	112.6	V70 N598	S66-V70 WeakPolarHBondContact O-CG2 3.32Å; S66-V70 PolarHBondContact O-N 3.4Å; S66-N598 WeakPolarHBondContact CB-OD1 3.29Å; S66-N598 PolarHBondContact OG-OD1 3.19Å
67	A	98.9	Very high	98.7	Very high	3 Å²	3	10.7 Å²	10.7	3%	0.025	6%	0.056	C	C	.	.	H	α-helix	trans	-69.7	-47.9	179.3	0	0	0	0	0	112.8	G65 C69 V70 L71 V584 D585 V601 A605	G65-A67 PolarHBondContact O-N 2.81Å; A67-C69 VanDerWaalsContact C-N 3.29Å; A67-C69 PolarHBondContact O-N 3.1Å; A67-V70 WeakPolarHBondContact O-CB 3.4Å; A67-V70 PolarHBondContact O-N 3.12Å; A67-V70 VanDerWaalsContact O-N 3.08Å; A67-L71 PolarHBondContact O-N 3.47Å; A67-V584 HydrophobicContact CB-CG1 4.21Å; A67-V584 WeakPolarHBondContact CB-O 3.34Å; A67-D585 HydrophobicContact CB-CB 4.37Å; A67-V601 HydrophobicContact CB-CG1 3.8Å; A67-A605 HydrophobicContact CB-CB 3.81Å
68	G	98.9	Very high	98.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.4	-35.5	-179	0	0	0	0	0	113.4	G63 G65 A72	G63-G68 WeakPolarHBondContact O-CA 3.47Å; G65-G68 PolarHBondContact O-N 2.87Å; G68-A72 WeakPolarHBondContact O-CB 3.38Å; G68-A72 PolarHBondContact O-N 3.41Å
69	C	98.9	Very high	98.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.6	-42.3	173.5	-72.7	0	0	0	0	112.6	A64 G65 A67 N73 A257 Y261 L262	A64-C69 PolarHBondContact O-SG 2.65Å; G65-C69 WeakPolarHBondContact O-CB 3.25Å; G65-C69 PolarHBondContact O-N 3.28Å; G65-C69 PolarHBondContact O-SG 3.05Å; A67-C69 VanDerWaalsContact C-N 3.29Å; A67-C69 PolarHBondContact O-N 3.1Å; C69-N73 PolarHBondContact O-N 2.75Å; C69-A257 HydrophobicContact CB-CB 3.86Å; C69-Y261 WeakPolarHBondContact O-CB 3.45Å; C69-L262 HydrophobicContact CB-CB 4.09Å
70	V	99	Very high	98.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66	-50.4	178	173.2	0	0	0	0	110.2	S66 A67 A72 N73 R74 Y261 I602 A605 E606	S66-V70 WeakPolarHBondContact O-CG2 3.32Å; S66-V70 PolarHBondContact O-N 3.4Å; A67-V70 WeakPolarHBondContact O-CB 3.4Å; A67-V70 PolarHBondContact O-N 3.12Å; A67-V70 VanDerWaalsContact O-N 3.08Å; V70-A72 VanDerWaalsContact C-N 3.34Å; V70-A72 PolarHBondContact O-N 2.9Å; V70-N73 WeakPolarHBondContact O-CB 3.42Å; V70-N73 PolarHBondContact O-N 3.07Å; V70-N73 VanDerWaalsContact O-N 3.17Å; V70-R74 HydrophobicContact CG1-CG 4.17Å; V70-R74 WeakPolarHBondContact O-CG 3.5Å; V70-R74 PolarHBondContact O-N 3.48Å; V70-Y261 HydrophobicContact CB-CD1 4.35Å; V70-Y261 HydrophobicContact CG1-CD1 4.43Å; V70-Y261 HydrophobicContact CG1-CE1 4.27Å; V70-Y261 HydrophobicContact CG2-CD1 4.03Å; V70-Y261 HydrophobicContact CG2-CD2 3.79Å; V70-Y261 HydrophobicContact CG2-CE1 4Å; V70-Y261 HydrophobicContact CG2-CE2 3.79Å; V70-Y261 HydrophobicContact CG2-CG 3.93Å; V70-I602 HydrophobicContact CG2-CB 4.48Å; V70-I602 HydrophobicContact CG2-CG1 4.37Å; V70-I602 HydrophobicContact CG2-CG2 4Å; V70-A605 HydrophobicContact CB-CB 3.72Å; V70-A605 HydrophobicContact CG1-CB 3.79Å; V70-A605 HydrophobicContact CG2-CB 4.28Å; V70-E606 HydrophobicContact CG1-CB 4.44Å; V70-E606 HydrophobicContact CG1-CG 3.84Å
71	L	98.9	Very high	98.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.3	-45.9	178.6	-71.9	171.2	0	0	0	111.8	I61 A67 N73 R74 L75 I311 V584 A608 A609 I612	I61-L71 HydrophobicContact CD1-CB 3.62Å; I61-L71 HydrophobicContact CG1-CB 4.46Å; A67-L71 PolarHBondContact O-N 3.47Å; L71-N73 VanDerWaalsContact C-N 3.28Å; L71-N73 PolarHBondContact O-N 3.28Å; L71-R74 PolarHBondContact O-N 3.38Å; L71-L75 VanDerWaalsContact O-CB 3.31Å; L71-L75 WeakPolarHBondContact O-CB 3.37Å; L71-L75 VanDerWaalsContact O-CG 3.32Å; L71-L75 WeakPolarHBondContact O-CG 3.21Å; L71-L75 PolarHBondContact O-N 2.85Å; L71-I311 HydrophobicContact CD1-CG2 3.74Å; L71-V584 HydrophobicContact CD1-CB 3.81Å; L71-V584 HydrophobicContact CD1-CG1 4.02Å; L71-V584 HydrophobicContact CD1-CG2 4.17Å; L71-V584 HydrophobicContact CG-CG1 4.47Å; L71-A608 HydrophobicContact CD2-CB 4.5Å; L71-A609 HydrophobicContact CD2-CB 4.15Å; L71-I612 HydrophobicContact CD2-CD1 4.02Å
72	A	98.9	Very high	98.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.5	-44.3	177.3	0	0	0	0	0	111.6	I61 G68 V70 S76 V90 L262 L272	I61-A72 HydrophobicContact CD1-CB 4.18Å; G68-A72 WeakPolarHBondContact O-CB 3.38Å; G68-A72 PolarHBondContact O-N 3.41Å; V70-A72 VanDerWaalsContact C-N 3.34Å; V70-A72 PolarHBondContact O-N 2.9Å; A72-S76 WeakPolarHBondContact O-CB 3.35Å; A72-S76 PolarHBondContact O-N 2.87Å; A72-S76 PolarHBondContact O-OG 3.3Å; A72-V90 HydrophobicContact CB-CG2 3.53Å; A72-L262 HydrophobicContact CB-CD1 3.58Å; A72-L272 HydrophobicContact CB-CD1 4.07Å
73	N	98.7	Very high	98.2	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.07	17%	0.168	C	C	.	.	H	α-helix	trans	-64.7	-52	176.8	179.3	-83.6	0	0	0	112.3	C69 V70 L71 L75 L77 Y261 A265	C69-N73 PolarHBondContact O-N 2.75Å; V70-N73 WeakPolarHBondContact O-CB 3.42Å; V70-N73 PolarHBondContact O-N 3.07Å; V70-N73 VanDerWaalsContact O-N 3.17Å; L71-N73 VanDerWaalsContact C-N 3.28Å; L71-N73 PolarHBondContact O-N 3.28Å; N73-L75 PolarHBondContact O-N 3.17Å; N73-L77 WeakPolarHBondContact O-CB 3.39Å; N73-L77 PolarHBondContact O-N 3.04Å; N73-Y261 HydrophobicContact CB-CD1 4.07Å; N73-Y261 HydrophobicContact CB-CG 4.47Å; N73-Y261 PolarHBondContact ND2-O 3.37Å; N73-A265 HydrophobicContact CB-CB 4.21Å
74	R	98.6	Very high	98.1	Very high	59 Å²	59	35.1 Å²	35.1	22%	0.223	18%	0.184	C	C	.	.	H	α-helix	trans	-70.2	-33.6	-172.5	-64.5	-55.7	-173	-167.7	0.1	113.3	V70 L71 E606 A609	V70-R74 HydrophobicContact CG1-CG 4.17Å; V70-R74 WeakPolarHBondContact O-CG 3.5Å; V70-R74 PolarHBondContact O-N 3.48Å; L71-R74 PolarHBondContact O-N 3.38Å; R74-E606 IonicContact CZ-OE1 3.06Å; R74-E606 IonicContact CZ-OE2 3.33Å; R74-E606 IonicContact NE-OE1 3.17Å; R74-E606 PolarHBondContact NE-OE1 2.89Å; R74-E606 IonicContact NE-OE2 2.72Å; R74-E606 PolarHBondContact NE-OE2 2.85Å; R74-E606 IonicContact NH2-OE1 3.58Å; R74-E606 PolarHBondContact NH2-OE1 2.78Å; R74-E606 IonicContact NH2-OE2 3.68Å; R74-E606 PolarHBondContact NH2-OE2 2.93Å; R74-A609 HydrophobicContact CB-CB 3.48Å; R74-A609 VanDerWaalsContact CB-CB 3.48Å; R74-A609 HydrophobicContact CG-CB 3.87Å
75	L	98.7	Very high	98	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-84.5	-35.3	-179	-61.7	179.5	0	0	0	112.6	Y59 I61 L71 N73 S86 V88 I311 I612 V613	Y59-L75 HydrophobicContact CD2-CD1 4.21Å; Y59-L75 HydrophobicContact CG-CD1 4.18Å; I61-L75 HydrophobicContact CD1-CD1 4.5Å; L71-L75 VanDerWaalsContact O-CB 3.31Å; L71-L75 WeakPolarHBondContact O-CB 3.37Å; L71-L75 VanDerWaalsContact O-CG 3.32Å; L71-L75 WeakPolarHBondContact O-CG 3.21Å; L71-L75 PolarHBondContact O-N 2.85Å; N73-L75 PolarHBondContact O-N 3.17Å; L75-S86 PolarHBondContact O-N 3.29Å; L75-V88 HydrophobicContact CB-CG2 3.81Å; L75-I311 HydrophobicContact CD1-CD1 4Å; L75-I612 HydrophobicContact CD1-CD1 4.46Å; L75-I612 HydrophobicContact CD1-CG2 4.36Å; L75-I612 HydrophobicContact CD2-CB 4.16Å; L75-I612 HydrophobicContact CD2-CG2 3.72Å; L75-V613 HydrophobicContact CD2-CG2 3.92Å
76	S	98.6	Very high	98	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-84.7	-17.4	-175.7	70.7	0	0	0	0	114.9	A72 S86 S269	A72-S76 WeakPolarHBondContact O-CB 3.35Å; A72-S76 PolarHBondContact O-N 2.87Å; A72-S76 PolarHBondContact O-OG 3.3Å; S76-S86 WeakPolarHBondContact CA-O 3.43Å; S76-S269 PolarHBondContact O-OG 3.35Å
77	L	98.1	Very high	98	Very high	40 Å²	40	39.9 Å²	39.9	21%	0.209	20%	0.204	C	C	.	.	S	Bend	trans	-97.4	149.6	176.5	-68.2	171	0	0	0	111.1	N73 H79 A265 S268	N73-L77 WeakPolarHBondContact O-CB 3.39Å; N73-L77 PolarHBondContact O-N 3.04Å; L77-H79 PolarHBondContact O-N 2.8Å; L77-A265 HydrophobicContact CD1-CB 4.25Å; L77-A265 HydrophobicContact CG-CB 4.46Å; L77-S268 WeakPolarHBondContact CD2-OG 3.47Å
78	P	97.5	Very high	98	Very high	82 Å²	82	39.7 Å²	39.7	53%	0.532	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-55.2	121.7	174.3	-28.1	36.6	0	0	0	111.6
79	H	97.2	Very high	98	Very high	25 Å²	25	39.8 Å²	39.8	12%	0.116	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-66.1	136.9	178.7	-176.4	-101.3	0	0	0	110.4	L77 K81 T82 K83 N84 V613 V621	L77-H79 PolarHBondContact O-N 2.8Å; H79-K81 VanDerWaalsContact C-N 3.26Å; H79-K81 PolarHBondContact ND1-N 3.25Å; H79-K81 PolarHBondContact O-N 2.99Å; H79-K81 VanDerWaalsContact O-N 3.14Å; H79-T82 WeakPolarHBondContact CB-OG1 3.33Å; H79-T82 PolarHBondContact ND1-N 2.86Å; H79-K83 WeakPolarHBondContact O-CA 3.41Å; H79-K83 PolarHBondContact O-N 3.1Å; H79-N84 PolarHBondContact N-O 3.45Å; H79-V613 HydrophobicContact CB-CG1 4.36Å; H79-V621 VanDerWaalsContact CE1-CG1 3.46Å; H79-V621 WeakPolarHBondContact CE1-CG1 3.39Å
80	P	95.6	Very high	98	Very high	96 Å²	96	39.8 Å²	39.8	62%	0.623	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-34.1	-174.3	-28.6	36	0	0	0	114.8	K83	P80-K83 VanDerWaalsContact O-CE 3.32Å; P80-K83 WeakPolarHBondContact O-CE 3.42Å; P80-K83 PolarHBondContact O-NZ 3.46Å
81	K	96.7	Very high	98	Very high	137 Å²	137	39.9 Å²	39.9	60%	0.596	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-47.6	-177.8	-176.5	172.2	167.6	-170.4	0	113.2	H79 S620 V621	H79-K81 VanDerWaalsContact C-N 3.26Å; H79-K81 PolarHBondContact ND1-N 3.25Å; H79-K81 PolarHBondContact O-N 2.99Å; H79-K81 VanDerWaalsContact O-N 3.14Å; K81-S620 PolarHBondContact NZ-O 2.93Å; K81-V621 HydrophobicContact CB-CG1 4.44Å; K81-V621 HydrophobicContact CD-CG1 4.16Å
82	T	96.8	Very high	97.9	Very high	27 Å²	27	40.3 Å²	40.3	17%	0.166	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-14.2	-172.9	58.3	0	0	0	0	113	H79 N84 D617 V619 V621	H79-T82 WeakPolarHBondContact CB-OG1 3.33Å; H79-T82 PolarHBondContact ND1-N 2.86Å; T82-N84 PolarHBondContact O-N 3.44Å; T82-N84 PolarHBondContact O-OD1 3.45Å; T82-D617 WeakPolarHBondContact CB-OD2 3.39Å; T82-D617 HydrophobicContact CG2-CB 4.08Å; T82-D617 WeakPolarHBondContact CG2-OD2 2.89Å; T82-D617 PolarHBondContact OG1-OD2 3.28Å; T82-V619 HydrophobicContact CG2-CB 4.45Å; T82-V621 HydrophobicContact CG2-CG1 3.85Å
83	K	97	Very high	97.9	Very high	146 Å²	146	41.2 Å²	41.2	64%	0.635	21%	0.214	S	C	*	.			trans	62.3	-4	-176.7	-50.3	-54.6	-172.6	-171.2	0	115.4	H79 P80	H79-K83 WeakPolarHBondContact O-CA 3.41Å; H79-K83 PolarHBondContact O-N 3.1Å; P80-K83 VanDerWaalsContact O-CE 3.32Å; P80-K83 WeakPolarHBondContact O-CE 3.42Å; P80-K83 PolarHBondContact O-NZ 3.46Å
84	N	97	Very high	97.8	Very high	83 Å²	83	40.6 Å²	40.6	44%	0.444	21%	0.21	S	C	.	.			trans	-77.7	148.5	176.4	-66.4	-13.5	0	0	0	111.6	H79 T82 R616 D617	H79-N84 PolarHBondContact N-O 3.45Å; T82-N84 PolarHBondContact O-N 3.44Å; T82-N84 PolarHBondContact O-OD1 3.45Å; N84-R616 PolarHBondContact O-NH2 2.65Å; N84-D617 PolarHBondContact ND2-OD1 2.81Å
85	S	97.2	Very high	97.6	Very high	38 Å²	38	38.6 Å²	38.6	27%	0.266	21%	0.205	S	C	.	.			trans	-140.3	155.6	173.9	61	0	0	0	0	109.6	N271	S85-N271 PolarHBondContact OG-ND2 3.39Å
86	S	98.2	Very high	97.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.			trans	-113.7	150.3	-175.1	-68.9	0	0	0	0	112.7	E58 Y59 L75 S76 V88 N271 R616	E58-S86 PolarHBondContact OE1-OG 3.16Å; E58-S86 WeakPolarHBondContact OE2-CA 3.5Å; E58-S86 WeakPolarHBondContact OE2-CB 3.5Å; E58-S86 PolarHBondContact OE2-OG 3.31Å; Y59-S86 WeakPolarHBondContact CE2-OG 3.35Å; L75-S86 PolarHBondContact O-N 3.29Å; S76-S86 WeakPolarHBondContact CA-O 3.43Å; S86-V88 PolarHBondContact O-N 2.99Å; S86-N271 VanDerWaalsContact O-CB 3.32Å; S86-N271 WeakPolarHBondContact O-CB 3.3Å; S86-R616 WeakPolarHBondContact OG-CD 3.3Å; S86-R616 PolarHBondContact OG-NH1 3.26Å
87	K	98.3	Very high	97.3	Very high	88 Å²	88	41.1 Å²	41.1	38%	0.383	22%	0.22	S	C	.	.			trans	-76.4	114.9	170.2	-165.4	-175.5	177.8	-167.5	0	109.3	S56 Y57 E58 Y59 N271	S56-K87 WeakPolarHBondContact O-CE 3.42Å; S56-K87 PolarHBondContact O-NZ 2.77Å; Y57-K87 HydrophobicContact CD1-CD 4.29Å; Y57-K87 HydrophobicContact CD1-CG 3.9Å; Y57-K87 HydrophobicContact CE1-CG 4.48Å; E58-K87 WeakPolarHBondContact CB-O 3.41Å; E58-K87 PolarHBondContact N-O 2.74Å; Y59-K87 PolarHBondContact N-O 2.97Å; K87-N271 CarbonylContact C-O 3.5Å; K87-N271 WeakPolarHBondContact CA-O 3.35Å
88	V	98.8	Very high	97	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132	-170.2	178.9	0	0	0	0	110.8	Y59 I61 L75 S86 V90 N271 L272 T273	Y59-V88 WeakPolarHBondContact O-CA 3.43Å; I61-V88 HydrophobicContact CD1-CG1 3.61Å; I61-V88 HydrophobicContact CG1-CG1 4.17Å; L75-V88 HydrophobicContact CB-CG2 3.81Å; S86-V88 PolarHBondContact O-N 2.99Å; V88-V90 HydrophobicContact CG1-CG2 4.15Å; V88-N271 PolarHBondContact N-O 2.84Å; V88-L272 HydrophobicContact CB-CD1 4.1Å; V88-L272 HydrophobicContact CG1-CD1 3.99Å; V88-T273 PolarHBondContact O-N 3.37Å
89	L	98.7	Very high	96.5	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.8	164.7	176.4	63.6	0	0	0	109.8	Y57 Y59 I60 I61 L91 T273 E275 A304	Y57-L89 HydrophobicContact CD1-CB 3.6Å; Y57-L89 HydrophobicContact CD2-CB 3.69Å; Y57-L89 HydrophobicContact CD2-CD2 3.89Å; Y57-L89 HydrophobicContact CD2-CG 4.36Å; Y57-L89 HydrophobicContact CE1-CB 3.82Å; Y57-L89 HydrophobicContact CE1-CD1 4.43Å; Y57-L89 HydrophobicContact CE2-CB 3.9Å; Y57-L89 HydrophobicContact CE2-CD1 4.32Å; Y57-L89 HydrophobicContact CE2-CD2 3.72Å; Y57-L89 HydrophobicContact CE2-CG 4.2Å; Y57-L89 HydrophobicContact CG-CB 3.54Å; Y59-L89 PolarHBondContact O-N 2.85Å; I60-L89 CarbonylContact C-O 3.47Å; I60-L89 WeakPolarHBondContact CA-O 3.35Å; I60-L89 HydrophobicContact CD1-CD2 4.42Å; I60-L89 HydrophobicContact CG1-CB 4.32Å; I60-L89 HydrophobicContact CG1-CD2 4.37Å; I60-L89 HydrophobicContact CG2-CD2 4.44Å; I61-L89 PolarHBondContact N-O 2.93Å; L89-L91 HydrophobicContact CD1-CD2 3.92Å; L89-L91 HydrophobicContact CD2-CD1 4.32Å; L89-L91 HydrophobicContact CD2-CD2 3.82Å; L89-L91 HydrophobicContact CD2-CG 4.09Å; L89-L91 HydrophobicContact CG-CD2 3.84Å; L89-L91 HydrophobicContact CG-CG 4.05Å; L89-T273 CarbonylContact C-O 3.57Å; L89-T273 WeakPolarHBondContact CA-O 3.25Å; L89-T273 HydrophobicContact CD1-CG2 3.81Å; L89-E275 HydrophobicContact CD1-CG 3.87Å; L89-A304 HydrophobicContact CD2-CB 3.62Å
90	V	98.9	Very high	95.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.5	169.5	-177.5	0	0	0	0	109	I61 A64 A72 V88 L272 T273 V274 E275	I61-V90 HydrophobicContact CB-CG2 4.31Å; I61-V90 HydrophobicContact CD1-CG2 4.31Å; I61-V90 WeakPolarHBondContact O-CA 3.41Å; A64-V90 HydrophobicContact CB-CG1 3.79Å; A72-V90 HydrophobicContact CB-CG2 3.53Å; V88-V90 HydrophobicContact CG1-CG2 4.15Å; V90-L272 HydrophobicContact CG2-CD1 3.79Å; V90-T273 PolarHBondContact N-O 3.49Å; V90-V274 HydrophobicContact CB-CG1 4.37Å; V90-V274 HydrophobicContact CB-CG2 4.27Å; V90-V274 HydrophobicContact CG2-CG2 4.48Å; V90-E275 PolarHBondContact O-N 3.3Å
91	L	98.8	Very high	94.5	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	113.1	176.5	-60.9	179.1	0	0	0	109.8	I60 I61 G63 L89 E275 A278 V280 V293 Y295	I60-L91 HydrophobicContact CG2-CD1 4.17Å; I61-L91 PolarHBondContact O-N 3.44Å; G63-L91 WeakPolarHBondContact CA-O 3.45Å; G63-L91 PolarHBondContact N-O 3.39Å; L89-L91 HydrophobicContact CD1-CD2 3.92Å; L89-L91 HydrophobicContact CD2-CD1 4.32Å; L89-L91 HydrophobicContact CD2-CD2 3.82Å; L89-L91 HydrophobicContact CD2-CG 4.09Å; L89-L91 HydrophobicContact CG-CD2 3.84Å; L89-L91 HydrophobicContact CG-CG 4.05Å; L91-E275 HydrophobicContact CD2-CB 3.74Å; L91-E275 HydrophobicContact CD2-CG 4.19Å; L91-A278 HydrophobicContact CB-CB 4.39Å; L91-A278 HydrophobicContact CD2-CB 4.08Å; L91-V280 HydrophobicContact CB-CG2 4Å; L91-V280 HydrophobicContact CD1-CG2 3.51Å; L91-V280 HydrophobicContact CG-CG2 4.41Å; L91-V293 HydrophobicContact CD1-CG2 3.61Å; L91-Y295 HydrophobicContact CD1-CD1 3.87Å; L91-Y295 HydrophobicContact CD1-CE1 4.34Å; L91-Y295 HydrophobicContact CD1-CG 4.04Å; L91-Y295 HydrophobicContact CD2-CD2 4.37Å; L91-Y295 HydrophobicContact CD2-CE1 4.39Å; L91-Y295 HydrophobicContact CD2-CE2 4.22Å
92	E	98.6	Very high	94.1	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.037	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.2	176.3	174.7	52.8	-143.4	0	0	110.7	A64 G94 V144 L145 E275 T276 N277 A278	A64-E92 HydrophobicContact CB-CB 3.77Å; A64-E92 HydrophobicContact CB-CG 4.07Å; A64-E92 PolarHBondContact N-OE2 3.21Å; E92-G94 PolarHBondContact O-N 3.25Å; E92-G94 PolarHBondContact OE1-N 2.74Å; E92-V144 PolarHBondContact OE1-N 3.16Å; E92-V144 VanDerWaalsContact OE1-N 3.1Å; E92-L145 HydrophobicContact CB-CD2 3.92Å; E92-L145 HydrophobicContact CG-CD2 4Å; E92-E275 PolarHBondContact N-O 3.29Å; E92-T276 CarbonylContact O-C 3.39Å; E92-T276 WeakPolarHBondContact O-CA 3.4Å; E92-N277 PolarHBondContact O-N 3.05Å; E92-A278 CarbonylContact C-O 3.42Å; E92-A278 PolarHBondContact O-N 3.13Å
93	A	97.5	Very high	93.9	Very high	20 Å²	20	45.3 Å²	45.3	17%	0.165	25%	0.246	C	C	.	.	S	Bend	trans	-65.8	-27.9	178.4	0	0	0	0	0	112.6	W122 R143 N277 A278 L279	A93-W122 HydrophobicContact CB-CH2 3.6Å; A93-W122 HydrophobicContact CB-CZ2 3.55Å; A93-R143 HydrophobicContact CB-CG 4.23Å; A93-N277 WeakPolarHBondContact O-CA 3.45Å; A93-A278 WeakPolarHBondContact CA-O 3.39Å; A93-A278 PolarHBondContact N-O 2.8Å; A93-L279 HydrophobicContact CB-CD1 3.96Å
94	G	96.6	Very high	93.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-87.1	174.5	177.7	0	0	0	0	0	115.5	E92 R143 T276 N277	E92-G94 PolarHBondContact O-N 3.25Å; E92-G94 PolarHBondContact OE1-N 2.74Å; G94-R143 VanDerWaalsContact CA-O 3.31Å; G94-R143 WeakPolarHBondContact CA-O 3.16Å; G94-T276 WeakPolarHBondContact O-CB 3.49Å; G94-N277 PolarHBondContact O-N 2.87Å
95	P	95.7	Very high	93.6	Very high	17 Å²	17	35.3 Å²	35.3	11%	0.11	20%	0.2	C	C	.	.			trans	-75.6	174	175	33.7	-36.1	0	0	0	111.7	Y120 R143 V144 L145	P95-Y120 HydrophobicContact CG-CD1 3.61Å; P95-Y120 HydrophobicContact CG-CE1 3.62Å; P95-R143 WeakPolarHBondContact CD-O 3.35Å; P95-V144 HydrophobicContact CG-CG2 4.43Å; P95-V144 WeakPolarHBondContact O-CA 3.46Å; P95-V144 WeakPolarHBondContact O-CG2 3.47Å; P95-L145 PolarHBondContact O-N 3.38Å; P95-L145 VanDerWaalsContact O-N 3.12Å
96	T	95.9	Very high	93.5	Very high	44 Å²	44	37 Å²	37	27%	0.27	20%	0.202	S	C	.	.			trans	-58.7	155.6	167.8	-174.3	0	0	0	0	112.3	V98 R102	T96-V98 HydrophobicContact CG2-CG2 4.45Å; T96-V98 VanDerWaalsContact OG1-CG2 3.26Å; T96-V98 WeakPolarHBondContact OG1-CG2 3.42Å; T96-V98 PolarHBondContact OG1-N 2.9Å; T96-R102 PolarHBondContact O-NH1 2.9Å; T96-R102 PolarHBondContact O-NH2 3.18Å
97	D	95.4	Very high	93.4	Very high	9 Å²	9	37.8 Å²	37.8	5%	0.048	21%	0.206	C	C	.	.	S	Bend	trans	-96.5	-3.4	173.7	65.7	-35	0	0	0	113.9	R102 I105 V144 L145 S258 H263	D97-R102 WeakPolarHBondContact O-CB 3.42Å; D97-I105 HydrophobicContact CB-CD1 4.23Å; D97-V144 HydrophobicContact CB-CG2 3.94Å; D97-L145 HydrophobicContact CB-CB 4.21Å; D97-L145 WeakPolarHBondContact CB-O 3.38Å; D97-L145 WeakPolarHBondContact OD1-CB 3.45Å; D97-S258 WeakPolarHBondContact OD2-CB 3.47Å; D97-S258 PolarHBondContact OD2-OG 3.27Å; D97-H263 IonicContact OD1-CD2 3.86Å; D97-H263 IonicContact OD1-CE1 3.19Å; D97-H263 PolarHBondContact OD1-CE1 2.62Å; D97-H263 VanDerWaalsContact OD1-CE1 3.27Å; D97-H263 IonicContact OD1-NE2 2.59Å; D97-H263 PolarHBondContact OD1-NE2 3.26Å; D97-H263 IonicContact OD2-CE1 3.79Å; D97-H263 PolarHBondContact OD2-CE1 2.65Å; D97-H263 IonicContact OD2-NE2 4Å; D97-H263 PolarHBondContact OD2-NE2 2.81Å
98	V	91.7	Very high	93.2	Very high	71 Å²	71	33.6 Å²	33.6	43%	0.43	19%	0.188	S	C	.	.			trans	-98.4	161.2	178.6	-61.6	0	0	0	0	113	T96 R102 H263	T96-V98 HydrophobicContact CG2-CG2 4.45Å; T96-V98 VanDerWaalsContact OG1-CG2 3.26Å; T96-V98 WeakPolarHBondContact OG1-CG2 3.42Å; T96-V98 PolarHBondContact OG1-N 2.9Å; V98-R102 WeakPolarHBondContact O-CG 3.49Å; V98-H263 WeakPolarHBondContact CG1-CE1 3.49Å
99	G	85.9	Confident	93	Very high	40 Å²	40	35.4 Å²	35.4	41%	0.412	20%	0.203	S	C	.	.	S	Bend	trans	123	162.9	-178.6	0	0	0	0	0	113.5	S101 R102	G99-S101 VanDerWaalsContact C-N 3.33Å; G99-S101 PolarHBondContact O-N 3.07Å; G99-R102 WeakPolarHBondContact O-CB 3.46Å; G99-R102 PolarHBondContact O-N 2.86Å
100	I	74.9	Confident	92.7	Very high	170 Å²	170	35.4 Å²	35.4	87%	0.872	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-62.9	-39.5	-176	-67.3	165	0	0	0	111.4	R102	I100-R102 PolarHBondContact O-N 2.75Å; I100-R102 VanDerWaalsContact O-N 3.1Å
101	S	75.7	Confident	92.2	Very high	80 Å²	80	36.7 Å²	36.7	56%	0.559	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-72.9	2.3	179.1	58.9	0	0	0	0	114.4	G99	G99-S101 VanDerWaalsContact C-N 3.33Å; G99-S101 PolarHBondContact O-N 3.07Å
102	R	89.3	Confident	91.7	Very high	22 Å²	22	38.4 Å²	38.4	8%	0.083	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-104.6	20	-175.2	-52.4	-46.5	-170.7	86.7	9.2	114.3	T96 D97 V98 G99 I100 T104 I105 Y120	T96-R102 PolarHBondContact O-NH1 2.9Å; T96-R102 PolarHBondContact O-NH2 3.18Å; D97-R102 WeakPolarHBondContact O-CB 3.42Å; V98-R102 WeakPolarHBondContact O-CG 3.49Å; G99-R102 WeakPolarHBondContact O-CB 3.46Å; G99-R102 PolarHBondContact O-N 2.86Å; I100-R102 PolarHBondContact O-N 2.75Å; I100-R102 VanDerWaalsContact O-N 3.1Å; R102-T104 PolarHBondContact O-N 2.72Å; R102-I105 HydrophobicContact CB-CD1 4.48Å; R102-I105 PolarHBondContact O-N 2.84Å; R102-I105 VanDerWaalsContact O-N 3.12Å; R102-Y120 WeakPolarHBondContact CD-OH 3.31Å; R102-Y120 VanDerWaalsContact CZ-CZ 3.46Å; R102-Y120 PolarHBondContact NE-OH 2.78Å; R102-Y120 PolarHBondContact NH1-OH 3.03Å
103	W	91.2	Very high	91.2	Very high	111 Å²	111	42.8 Å²	42.8	42%	0.42	24%	0.235	S	C	.	.	H	α-helix	trans	-58.5	-30.3	177.7	69.2	-94	0	0	0	112.6	I105 K106 M107 A110	W103-I105 VanDerWaalsContact C-N 3.27Å; W103-I105 PolarHBondContact O-N 3.3Å; W103-K106 PolarHBondContact O-N 3.42Å; W103-K106 VanDerWaalsContact O-N 3.13Å; W103-M107 HydrophobicContact CE3-CB 4.29Å; W103-M107 HydrophobicContact CE3-CE 3.75Å; W103-M107 HydrophobicContact CE3-SD 4.2Å; W103-M107 HydrophobicContact CZ3-CE 3.68Å; W103-M107 HydrophobicContact CZ3-SD 3.76Å; W103-M107 WeakPolarHBondContact O-CB 3.4Å; W103-M107 PolarHBondContact O-N 3.04Å; W103-A110 HydrophobicContact CZ3-CB 4.06Å
104	T	92.7	Very high	90.8	Very high	16 Å²	16	42.1 Å²	42.1	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-65.6	-25.6	177.4	56.6	0	0	0	0	113.6	R102 Y113 N114	R102-T104 PolarHBondContact O-N 2.72Å; T104-Y113 HydrophobicContact CG2-CG 4.27Å; T104-N114 PolarHBondContact O-ND2 3.4Å; T104-N114 PolarHBondContact OG1-OD1 3.23Å
105	I	95.3	Very high	90.5	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-76.9	-39	173.7	-66.4	175.3	0	0	0	109.5	D97 R102 W103 Y120 V144 R254	D97-I105 HydrophobicContact CB-CD1 4.23Å; R102-I105 HydrophobicContact CB-CD1 4.48Å; R102-I105 PolarHBondContact O-N 2.84Å; R102-I105 VanDerWaalsContact O-N 3.12Å; W103-I105 VanDerWaalsContact C-N 3.27Å; W103-I105 PolarHBondContact O-N 3.3Å; I105-Y120 HydrophobicContact CD1-CD2 4.3Å; I105-Y120 HydrophobicContact CD1-CE2 4.41Å; I105-Y120 HydrophobicContact CD1-CG 4.44Å; I105-V144 HydrophobicContact CD1-CG2 4.18Å; I105-R254 WeakPolarHBondContact O-CD 3.48Å; I105-R254 PolarHBondContact O-NE 2.85Å
106	K	95.1	Very high	90.1	Very high	72 Å²	72	45.6 Å²	45.6	31%	0.313	24%	0.241	S	C	.	.	H	α-helix	trans	-75.3	-40.4	-176	-63.1	-179.6	-178.2	178.7	0	113	W103 P108 E253 R254 W388	W103-K106 PolarHBondContact O-N 3.42Å; W103-K106 VanDerWaalsContact O-N 3.13Å; K106-P108 VanDerWaalsContact O-CD 3.25Å; K106-P108 WeakPolarHBondContact O-CD 3.47Å; K106-E253 WeakPolarHBondContact O-CA 3.37Å; K106-R254 PolarHBondContact O-N 3Å; K106-W388 HydrophobicContact CB-CH2 4.21Å; K106-W388 HydrophobicContact CB-CZ2 4.27Å
107	M	95.8	Very high	89.6	Confident	17 Å²	17	49.6 Å²	49.6	8%	0.084	26%	0.257	C	S	.	.	S	Bend	trans	-74.7	118	-177	-177.8	-173	-71.2	0	0	110.4	W103 A109 A110 W388 A396	W103-M107 HydrophobicContact CE3-CB 4.29Å; W103-M107 HydrophobicContact CE3-CE 3.75Å; W103-M107 HydrophobicContact CE3-SD 4.2Å; W103-M107 HydrophobicContact CZ3-CE 3.68Å; W103-M107 HydrophobicContact CZ3-SD 3.76Å; W103-M107 WeakPolarHBondContact O-CB 3.4Å; W103-M107 PolarHBondContact O-N 3.04Å; M107-A109 PolarHBondContact O-N 3Å; M107-A110 HydrophobicContact CB-CB 3.9Å; M107-A110 HydrophobicContact CG-CB 4.11Å; M107-A110 PolarHBondContact O-N 2.69Å; M107-A110 VanDerWaalsContact O-N 3.13Å; M107-A110 HydrophobicContact SD-CB 3.98Å; M107-W388 VanDerWaalsContact CA-CZ2 3.5Å; M107-W388 HydrophobicContact CB-CD2 4.28Å; M107-W388 HydrophobicContact CB-CE3 4.46Å; M107-W388 HydrophobicContact CB-CH2 3.89Å; M107-W388 HydrophobicContact CB-CZ2 3.68Å; M107-W388 HydrophobicContact CB-CZ3 4.28Å; M107-W388 HydrophobicContact CE-CB 4.33Å; M107-W388 HydrophobicContact CE-CD2 3.61Å; M107-W388 HydrophobicContact CE-CE3 3.24Å; M107-W388 HydrophobicContact CE-CG 4.09Å; M107-W388 HydrophobicContact CE-CH2 4.49Å; M107-W388 HydrophobicContact CE-CZ3 3.74Å; M107-W388 HydrophobicContact CG-CD2 4.02Å; M107-W388 HydrophobicContact CG-CE3 4.43Å; M107-W388 HydrophobicContact CG-CG 4.33Å; M107-W388 HydrophobicContact CG-CZ2 4.27Å; M107-A396 HydrophobicContact CE-CB 4.24Å; M107-A396 HydrophobicContact CG-CB 3.96Å; M107-A396 WeakPolarHBondContact CG-O 3.21Å; M107-A396 HydrophobicContact SD-CB 3.73Å
108	P	95.7	Very high	89.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-53.7	-48.4	-177.3	-35.1	40.6	0	0	0	115.8	K106 A110 M154 I249 G252 A396 T398 T399	K106-P108 VanDerWaalsContact O-CD 3.25Å; K106-P108 WeakPolarHBondContact O-CD 3.47Å; P108-A110 PolarHBondContact O-N 3.46Å; P108-M154 HydrophobicContact CB-CE 3.63Å; P108-M154 HydrophobicContact CB-SD 4.02Å; P108-M154 HydrophobicContact CG-CE 4.35Å; P108-M154 HydrophobicContact CG-SD 4.17Å; P108-M154 WeakPolarHBondContact O-CE 3.36Å; P108-I249 HydrophobicContact CB-CD1 3.89Å; P108-I249 HydrophobicContact CG-CD1 3.9Å; P108-I249 HydrophobicContact CG-CG1 4.15Å; P108-I249 HydrophobicContact CG-CG2 4.32Å; P108-G252 VanDerWaalsContact CD-O 3.28Å; P108-G252 WeakPolarHBondContact CD-O 3.02Å; P108-A396 VanDerWaalsContact CD-O 3.24Å; P108-A396 WeakPolarHBondContact CD-O 3.33Å; P108-T398 WeakPolarHBondContact CB-O 3.43Å; P108-T399 HydrophobicContact CB-CG2 4.28Å
109	A	93.7	Very high	89.5	Confident	39 Å²	39	55.9 Å²	55.9	32%	0.322	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-72	-12.3	-177.9	0	0	0	0	0	114	M107 L111 A396 T398	M107-A109 PolarHBondContact O-N 3Å; A109-L111 PolarHBondContact O-N 2.83Å; A109-A396 PolarHBondContact N-O 2.63Å; A109-T398 PolarHBondContact N-O 3.14Å
110	A	92	Very high	89.9	Confident	2 Å²	2	54.4 Å²	54.4	2%	0.017	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-83.5	11.2	-178.7	0	0	0	0	0	113.6	W103 M107 P108 M112 Y113	W103-A110 HydrophobicContact CZ3-CB 4.06Å; M107-A110 HydrophobicContact CB-CB 3.9Å; M107-A110 HydrophobicContact CG-CB 4.11Å; M107-A110 PolarHBondContact O-N 2.69Å; M107-A110 VanDerWaalsContact O-N 3.13Å; M107-A110 HydrophobicContact SD-CB 3.98Å; P108-A110 PolarHBondContact O-N 3.46Å; A110-M112 VanDerWaalsContact C-N 3.26Å; A110-M112 PolarHBondContact O-N 3.19Å; A110-M112 VanDerWaalsContact O-N 3.13Å; A110-Y113 HydrophobicContact CB-CD2 3.98Å; A110-Y113 WeakPolarHBondContact O-CB 3.19Å; A110-Y113 WeakPolarHBondContact O-CD2 3.44Å; A110-Y113 PolarHBondContact O-N 3.05Å; A110-Y113 VanDerWaalsContact O-N 3.09Å
111	L	89.6	Confident	90.8	Very high	26 Å²	26	46.3 Å²	46.3	14%	0.136	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-54.2	-38.7	-170.6	77.5	101	0	0	0	113.6	A109 Y113 N114 L115 A153 T399	A109-L111 PolarHBondContact O-N 2.83Å; L111-Y113 VanDerWaalsContact C-N 3.29Å; L111-Y113 PolarHBondContact O-N 3.44Å; L111-N114 PolarHBondContact O-N 2.95Å; L111-L115 HydrophobicContact CD1-CD1 4.41Å; L111-A153 HydrophobicContact CD2-CB 4.38Å; L111-T399 HydrophobicContact CD2-CG2 4.29Å
112	M	87.2	Confident	91.8	Very high	38 Å²	38	45.5 Å²	45.5	19%	0.187	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-65.6	-29.4	-177.5	-52.2	-50.1	-100.4	0	0	113.4	A110 N114 L115 Y116 H430	A110-M112 VanDerWaalsContact C-N 3.26Å; A110-M112 PolarHBondContact O-N 3.19Å; A110-M112 VanDerWaalsContact O-N 3.13Å; M112-N114 PolarHBondContact O-N 3.11Å; M112-L115 PolarHBondContact O-N 2.73Å; M112-L115 HydrophobicContact SD-CD1 4.02Å; M112-Y116 HydrophobicContact CB-CE1 4.35Å; M112-Y116 PolarHBondContact O-N 3.47Å; M112-H430 WeakPolarHBondContact CE-O 3.38Å
113	Y	88.2	Confident	92	Very high	101 Å²	101	47.9 Å²	47.9	40%	0.396	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-59.4	-32.3	179.7	-76.6	-91.2	0	0	0	112.6	T104 A110 L111 L115	T104-Y113 HydrophobicContact CG2-CG 4.27Å; A110-Y113 HydrophobicContact CB-CD2 3.98Å; A110-Y113 WeakPolarHBondContact O-CB 3.19Å; A110-Y113 WeakPolarHBondContact O-CD2 3.44Å; A110-Y113 PolarHBondContact O-N 3.05Å; A110-Y113 VanDerWaalsContact O-N 3.09Å; L111-Y113 VanDerWaalsContact C-N 3.29Å; L111-Y113 PolarHBondContact O-N 3.44Å; Y113-L115 VanDerWaalsContact C-N 3.3Å
114	N	88.8	Confident	92.2	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.027	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-85.9	-5.1	-178.6	-53.5	-55.4	0	0	0	112.7	T104 L111 M112 Y120 L151	T104-N114 PolarHBondContact O-ND2 3.4Å; T104-N114 PolarHBondContact OG1-OD1 3.23Å; L111-N114 PolarHBondContact O-N 2.95Å; M112-N114 PolarHBondContact O-N 3.11Å; N114-Y120 HydrophobicContact CB-CD2 4.31Å; N114-L151 HydrophobicContact CB-CD2 4.3Å; N114-L151 HydrophobicContact CB-CG 4Å
115	L	90.4	Very high	92.3	Very high	16 Å²	16	46.8 Å²	46.8	8%	0.084	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-29.1	177.3	-56.4	-177.5	0	0	0	111.6	L111 M112 Y113 H117 N121 Y123 Y138 P140 L151	L111-L115 HydrophobicContact CD1-CD1 4.41Å; M112-L115 PolarHBondContact O-N 2.73Å; M112-L115 HydrophobicContact SD-CD1 4.02Å; Y113-L115 VanDerWaalsContact C-N 3.3Å; L115-H117 VanDerWaalsContact C-N 3.26Å; L115-H117 PolarHBondContact O-N 2.88Å; L115-H117 VanDerWaalsContact O-N 3.14Å; L115-N121 PolarHBondContact O-ND2 3.42Å; L115-N121 VanDerWaalsContact O-ND2 3.14Å; L115-Y123 WeakPolarHBondContact O-CE2 3.15Å; L115-Y138 PolarHBondContact O-OH 3.35Å; L115-P140 HydrophobicContact CD2-CB 3.84Å; L115-P140 HydrophobicContact CD2-CG 4.27Å; L115-L151 HydrophobicContact CD2-CB 4.4Å; L115-L151 HydrophobicContact CD2-CD2 4.11Å
116	Y	86.8	Confident	92.4	Very high	74 Å²	74	47 Å²	47	29%	0.29	22%	0.216	S	C	.	.	S	Bend	trans	-62.8	-23.3	-173.4	-61.1	-30.5	0	0	0	116.3	M112 G431 R432	M112-Y116 HydrophobicContact CB-CE1 4.35Å; M112-Y116 PolarHBondContact O-N 3.47Å; Y116-G431 PolarHBondContact OH-O 3.1Å; Y116-R432 HydrophobicContact CD1-CG 3.59Å; Y116-R432 HydrophobicContact CE1-CB 4.07Å; Y116-R432 HydrophobicContact CE1-CG 3.45Å; Y116-R432 VanDerWaalsContact CE1-CG 3.45Å
117	H	87.3	Confident	92.4	Very high	129 Å²	129	45 Å²	45	60%	0.597	21%	0.21	S	C	*	.	S	Bend	trans	-138.3	159	-176.1	-57.2	-62.9	0	0	0	111.3	L115 K119 N121	L115-H117 VanDerWaalsContact C-N 3.26Å; L115-H117 PolarHBondContact O-N 2.88Å; L115-H117 VanDerWaalsContact O-N 3.14Å; H117-K119 PolarHBondContact O-N 3.26Å; H117-K119 VanDerWaalsContact O-N 3.08Å; H117-N121 WeakPolarHBondContact O-CB 3.44Å
118	D	91.5	Very high	92.4	Very high	99 Å²	99	48 Å²	48	53%	0.529	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	9.2	179.1	70.1	-15.5	0	0	0	114.1	Y120 N121 R143	D118-Y120 PolarHBondContact O-N 3.33Å; D118-N121 CarbonylContact C-O 3.58Å; D118-N121 WeakPolarHBondContact CA-O 3.49Å; D118-N121 VanDerWaalsContact O-O 3.11Å; D118-R143 PolarHBondContact O-NH1 3.19Å; D118-R143 PolarHBondContact O-NH2 2.89Å
119	K	92.6	Very high	92.5	Very high	112 Å²	112	48.1 Å²	48.1	49%	0.487	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-42.2	-177.1	-168.8	-177.1	-175.3	-172.9	0	113	H117 R143	H117-K119 PolarHBondContact O-N 3.26Å; H117-K119 VanDerWaalsContact O-N 3.08Å; K119-R143 PolarHBondContact O-NH2 3.07Å
120	Y	94.4	Very high	92.5	Very high	10 Å²	10	52.9 Å²	52.9	4%	0.039	24%	0.241	C	C	.	.	S	Bend	trans	-123.7	7.9	179	-51.3	-47.6	0	0	0	112.5	P95 R102 I105 N114 D118 R143 V144 L151	P95-Y120 HydrophobicContact CG-CD1 3.61Å; P95-Y120 HydrophobicContact CG-CE1 3.62Å; R102-Y120 WeakPolarHBondContact CD-OH 3.31Å; R102-Y120 VanDerWaalsContact CZ-CZ 3.46Å; R102-Y120 PolarHBondContact NE-OH 2.78Å; R102-Y120 PolarHBondContact NH1-OH 3.03Å; I105-Y120 HydrophobicContact CD1-CD2 4.3Å; I105-Y120 HydrophobicContact CD1-CE2 4.41Å; I105-Y120 HydrophobicContact CD1-CG 4.44Å; N114-Y120 HydrophobicContact CB-CD2 4.31Å; D118-Y120 PolarHBondContact O-N 3.33Å; Y120-R143 CarbonylContact C-O 3.54Å; Y120-R143 WeakPolarHBondContact CA-O 3.46Å; Y120-R143 CarbonylContact O-C 3.57Å; Y120-R143 PolarHBondContact O-N 3.27Å; Y120-V144 HydrophobicContact CD1-CB 4.3Å; Y120-V144 HydrophobicContact CD1-CG2 4.03Å; Y120-L151 WeakPolarHBondContact O-CD2 3.02Å
121	N	94.3	Very high	92.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-132.4	133.6	-168.8	178.8	12.1	0	0	0	107.4	L115 H117 D118 Y123 Y138 P140 R141 R143 L151	L115-N121 PolarHBondContact O-ND2 3.42Å; L115-N121 VanDerWaalsContact O-ND2 3.14Å; H117-N121 WeakPolarHBondContact O-CB 3.44Å; D118-N121 CarbonylContact C-O 3.58Å; D118-N121 WeakPolarHBondContact CA-O 3.49Å; D118-N121 VanDerWaalsContact O-O 3.11Å; N121-Y123 WeakPolarHBondContact ND2-CD2 3.18Å; N121-Y123 PolarHBondContact O-N 3.5Å; N121-Y123 PolarHBondContact OD1-N 2.83Å; N121-Y138 PolarHBondContact ND2-OH 2.69Å; N121-P140 WeakPolarHBondContact OD1-CA 3.43Å; N121-P140 WeakPolarHBondContact OD1-CB 3.5Å; N121-R141 CarbonylContact C-O 3.49Å; N121-R141 VanDerWaalsContact CA-O 3.27Å; N121-R141 WeakPolarHBondContact CA-O 3.48Å; N121-R141 PolarHBondContact OD1-N 2.9Å; N121-R141 PolarHBondContact OD1-O 3.45Å; N121-R143 PolarHBondContact O-NH1 3.36Å; N121-L151 HydrophobicContact CB-CD2 4.16Å
122	W	95.5	Very high	92.9	Very high	62 Å²	62	54.1 Å²	54.1	24%	0.235	25%	0.245	C	C	.	.			trans	-64.7	-23.5	171.9	-73.3	102.6	0	0	0	113	A93 Y124 R141 G142 R143 L279	A93-W122 HydrophobicContact CB-CH2 3.6Å; A93-W122 HydrophobicContact CB-CZ2 3.55Å; W122-Y124 VanDerWaalsContact C-N 3.33Å; W122-Y124 HydrophobicContact CB-CD1 4.36Å; W122-Y124 HydrophobicContact CB-CD2 3.66Å; W122-Y124 HydrophobicContact CB-CE1 3.99Å; W122-Y124 HydrophobicContact CB-CE2 3.22Å; W122-Y124 HydrophobicContact CB-CG 4.21Å; W122-Y124 HydrophobicContact CD2-CE2 4.25Å; W122-Y124 AromaticContact CD2-CZ 3.79Å; W122-Y124 HydrophobicContact CE3-CE1 4.31Å; W122-Y124 AromaticContact CE3-CZ 3.89Å; W122-Y124 HydrophobicContact CG-CD2 4.48Å; W122-Y124 AromaticContact CG-CE2 3.6Å; W122-Y124 HydrophobicContact CG-CE2 3.6Å; W122-Y124 AromaticContact CG-CZ 3.62Å; W122-Y124 PolarHBondContact O-N 3.49Å; W122-R141 HydrophobicContact CB-CB 4.14Å; W122-R141 HydrophobicContact CG-CB 4.35Å; W122-R141 PolarHBondContact N-O 2.81Å; W122-G142 PolarHBondContact NE1-O 2.95Å; W122-R143 HydrophobicContact CD2-CB 4.03Å; W122-R143 HydrophobicContact CD2-CG 3.89Å; W122-R143 HydrophobicContact CE3-CG 4.41Å; W122-R143 HydrophobicContact CG-CB 3.92Å; W122-R143 HydrophobicContact CG-CG 4.33Å; W122-R143 HydrophobicContact CH2-CG 4.35Å; W122-R143 HydrophobicContact CZ2-CG 3.79Å; W122-L279 HydrophobicContact CH2-CD1 3.8Å
123	Y	93.9	Very high	93.4	Very high	72 Å²	72	55.6 Å²	55.6	28%	0.282	25%	0.254	S	S	.	.			trans	59	41.6	172.3	-150.6	-90.3	0	0	0	112.9	L115 N121 H125 Y138	L115-Y123 WeakPolarHBondContact O-CE2 3.15Å; N121-Y123 WeakPolarHBondContact ND2-CD2 3.18Å; N121-Y123 PolarHBondContact O-N 3.5Å; N121-Y123 PolarHBondContact OD1-N 2.83Å; Y123-H125 AromaticContact CD1-CE1 3.73Å; Y123-H125 AromaticContact CE1-CE1 3.65Å; Y123-H125 PolarHBondContact O-ND1 2.6Å; Y123-Y138 HydrophobicContact CD1-CE2 4.2Å; Y123-Y138 AromaticContact CD2-CE2 3.63Å; Y123-Y138 HydrophobicContact CD2-CE2 3.63Å; Y123-Y138 HydrophobicContact CE1-CE2 4.18Å; Y123-Y138 AromaticContact CE2-CE2 3.58Å; Y123-Y138 HydrophobicContact CE2-CE2 3.58Å; Y123-Y138 AromaticContact CE2-CZ 3.97Å; Y123-Y138 AromaticContact CG-CE2 3.92Å; Y123-Y138 HydrophobicContact CG-CE2 3.92Å; Y123-Y138 AromaticContact CZ-CE2 3.86Å
124	Y	95.3	Very high	93.9	Very high	23 Å²	23	55.9 Å²	55.9	9%	0.09	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	161.6	-178.6	-60	-60	0	0	0	112.6	W122 W139 R141 I317 N318 P466 I468	W122-Y124 VanDerWaalsContact C-N 3.33Å; W122-Y124 HydrophobicContact CB-CD1 4.36Å; W122-Y124 HydrophobicContact CB-CD2 3.66Å; W122-Y124 HydrophobicContact CB-CE1 3.99Å; W122-Y124 HydrophobicContact CB-CE2 3.22Å; W122-Y124 HydrophobicContact CB-CG 4.21Å; W122-Y124 HydrophobicContact CD2-CE2 4.25Å; W122-Y124 AromaticContact CD2-CZ 3.79Å; W122-Y124 HydrophobicContact CE3-CE1 4.31Å; W122-Y124 AromaticContact CE3-CZ 3.89Å; W122-Y124 HydrophobicContact CG-CD2 4.48Å; W122-Y124 AromaticContact CG-CE2 3.6Å; W122-Y124 HydrophobicContact CG-CE2 3.6Å; W122-Y124 AromaticContact CG-CZ 3.62Å; W122-Y124 PolarHBondContact O-N 3.49Å; Y124-W139 WeakPolarHBondContact CB-O 3.22Å; Y124-W139 PolarHBondContact N-O 2.88Å; Y124-W139 PolarHBondContact O-N 3.16Å; Y124-R141 HydrophobicContact CD2-CB 4.13Å; Y124-R141 HydrophobicContact CE2-CB 4.09Å; Y124-I317 HydrophobicContact CD2-CD1 3.71Å; Y124-I317 HydrophobicContact CD2-CG2 4.41Å; Y124-I317 HydrophobicContact CE2-CB 4.4Å; Y124-I317 HydrophobicContact CE2-CD1 3.93Å; Y124-I317 HydrophobicContact CE2-CG2 3.95Å; Y124-N318 PolarHBondContact OH-ND2 3.23Å; Y124-N318 PolarHBondContact OH-OD1 3.36Å; Y124-P466 HydrophobicContact CD1-CG 4.32Å; Y124-P466 HydrophobicContact CE1-CG 4.02Å; Y124-I468 HydrophobicContact CD1-CD1 4.37Å; Y124-I468 HydrophobicContact CD2-CD1 4.26Å; Y124-I468 HydrophobicContact CG-CD1 3.89Å
125	H	95.3	Very high	94.3	Very high	82 Å²	82	58.6 Å²	58.6	38%	0.38	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149	168.2	-64.6	76	0	0	0	109.3	Y123 T136 M137 Y138	Y123-H125 AromaticContact CD1-CE1 3.73Å; Y123-H125 AromaticContact CE1-CE1 3.65Å; Y123-H125 PolarHBondContact O-ND1 2.6Å; H125-T136 HydrophobicContact CB-CG2 3.74Å; H125-M137 CarbonylContact C-O 3.58Å; H125-M137 VanDerWaalsContact CA-O 3.23Å; H125-M137 WeakPolarHBondContact CA-O 3.37Å; H125-Y138 AromaticContact NE2-CD2 3.92Å
126	T	96.5	Very high	94.6	Very high	8 Å²	8	61.5 Å²	61.5	5%	0.049	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-71.6	168.4	170.3	66.8	0	0	0	0	110.4	T136 M137 W139 I468 P470	T126-T136 WeakPolarHBondContact O-CG2 3.06Å; T126-M137 HydrophobicContact CG2-CB 4.02Å; T126-M137 PolarHBondContact N-O 3.13Å; T126-M137 PolarHBondContact OG1-N 3.37Å; T126-W139 HydrophobicContact CG2-CD2 3.99Å; T126-W139 HydrophobicContact CG2-CG 4.09Å; T126-W139 HydrophobicContact CG2-CZ2 4.19Å; T126-I468 CarbonylContact C-O 3.58Å; T126-I468 VanDerWaalsContact CA-O 3.28Å; T126-I468 WeakPolarHBondContact CA-O 3.42Å; T126-I468 WeakPolarHBondContact CB-O 3.22Å; T126-I468 HydrophobicContact CG2-CG2 4.26Å; T126-P470 HydrophobicContact CG2-CG 4.04Å
127	V	95.4	Very high	95	Very high	31 Å²	31	58.2 Å²	58.2	19%	0.188	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-66.8	164.2	156.3	-59.9	0	0	0	0	110.3	Q129 K467 I468 D469	V127-Q129 PolarHBondContact O-N 2.97Å; V127-Q129 PolarHBondContact O-NE2 2.76Å; V127-K467 HydrophobicContact CG1-CD 4.1Å; V127-K467 HydrophobicContact CG1-CG 3.34Å; V127-I468 PolarHBondContact N-O 2.94Å; V127-D469 HydrophobicContact CG2-CB 3.65Å; V127-D469 VanDerWaalsContact CG2-CG 3.47Å
128	P	97.1	Very high	95.3	Very high	78 Å²	78	52.4 Å²	52.4	51%	0.506	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-50.2	125.9	169.5	-29.4	37.4	0	0	0	111	R130 D134	P128-R130 PolarHBondContact O-N 3.46Å; P128-D134 HydrophobicContact CB-CB 4.43Å
129	Q	96.6	Very high	95.4	Very high	3 Å²	3	47.7 Å²	47.7	1%	0.014	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-91.8	104	-174.6	-66.8	-57	-70.4	0	0	110.2	V127 H131 M132 D134 R135 M137 D469 P470 Y472	V127-Q129 PolarHBondContact O-N 2.97Å; V127-Q129 PolarHBondContact O-NE2 2.76Å; Q129-H131 PolarHBondContact O-N 3.22Å; Q129-M132 HydrophobicContact CB-CB 3.72Å; Q129-M132 HydrophobicContact CB-CG 3.8Å; Q129-M132 CarbonylContact O-C 3.59Å; Q129-M132 PolarHBondContact O-N 2.99Å; Q129-D134 WeakPolarHBondContact O-CA 3.44Å; Q129-D134 PolarHBondContact O-N 3.29Å; Q129-D134 VanDerWaalsContact O-N 3.09Å; Q129-R135 WeakPolarHBondContact CB-O 3.36Å; Q129-R135 PolarHBondContact N-O 3.35Å; Q129-M137 HydrophobicContact CB-SD 4.46Å; Q129-M137 HydrophobicContact CG-CG 4.22Å; Q129-M137 HydrophobicContact CG-SD 3.83Å; Q129-D469 PolarHBondContact NE2-OD1 2.91Å; Q129-P470 VanDerWaalsContact OE1-CG 3.31Å; Q129-Y472 HydrophobicContact CG-CD2 4.46Å
130	R	93.4	Very high	95.5	Very high	140 Å²	140	42.6 Å²	42.6	53%	0.528	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-32.3	-173.7	67.6	178.3	174.4	157.7	5.4	115	P128 N471	P128-R130 PolarHBondContact O-N 3.46Å; R130-N471 PolarHBondContact NE-OD1 2.89Å; R130-N471 PolarHBondContact NH2-ND2 2.85Å; R130-N471 PolarHBondContact NH2-OD1 3.05Å
131	H	94.8	Very high	95.6	Very high	53 Å²	53	44 Å²	44	25%	0.245	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	5.6	-178.1	-58.8	-55.8	0	0	0	113.1	Q129 Y472 L473 A474 R524	Q129-H131 PolarHBondContact O-N 3.22Å; H131-Y472 VanDerWaalsContact CB-O 3.23Å; H131-Y472 WeakPolarHBondContact CB-O 3.27Å; H131-L473 HydrophobicContact CB-CB 4.21Å; H131-A474 WeakPolarHBondContact CD2-CA 3.46Å; H131-A474 WeakPolarHBondContact NE2-CA 3.47Å; H131-R524 VanDerWaalsContact O-CD 3.31Å; H131-R524 WeakPolarHBondContact O-CD 3.46Å; H131-R524 WeakPolarHBondContact O-CG 3.49Å
132	M	96.7	Very high	95.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	40.9	-179	-54.1	-70.8	-64.9	0	0	110.8	Q129 D134 R135 M137 L356 Y472 L473 V523 R524 G527	Q129-M132 HydrophobicContact CB-CB 3.72Å; Q129-M132 HydrophobicContact CB-CG 3.8Å; Q129-M132 CarbonylContact O-C 3.59Å; Q129-M132 PolarHBondContact O-N 2.99Å; M132-D134 VanDerWaalsContact C-N 3.28Å; M132-D134 PolarHBondContact O-N 2.79Å; M132-R135 VanDerWaalsContact CE-NH2 3.28Å; M132-R135 WeakPolarHBondContact O-CB 3.33Å; M132-R135 VanDerWaalsContact O-CG 3.26Å; M132-R135 WeakPolarHBondContact O-CG 3.34Å; M132-R135 PolarHBondContact O-N 3.2Å; M132-R135 PolarHBondContact O-NE 3.42Å; M132-M137 HydrophobicContact CE-CE 4.39Å; M132-M137 HydrophobicContact CG-SD 4.35Å; M132-L356 HydrophobicContact CE-CD1 4.13Å; M132-L356 HydrophobicContact CE-CD2 4.22Å; M132-L356 HydrophobicContact SD-CD2 4.37Å; M132-Y472 HydrophobicContact CG-CD2 4.45Å; M132-L473 HydrophobicContact CE-CD1 4.3Å; M132-L473 HydrophobicContact SD-CB 4.37Å; M132-L473 HydrophobicContact SD-CD1 3.22Å; M132-L473 WeakPolarHBondContact SD-CD1 3.41Å; M132-L473 HydrophobicContact SD-CG 3.62Å; M132-V523 WeakPolarHBondContact CE-O 3.48Å; M132-R524 CarbonylContact C-O 3.55Å; M132-G527 WeakPolarHBondContact CE-O 3.37Å
133	N	97.5	Very high	95.8	Very high	70 Å²	70	44 Å²	44	37%	0.374	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	39.3	-176.1	-63.3	-12.8	0	0	0	113.1	R135 E521 R524 S525	N133-R135 PolarHBondContact O-N 2.91Å; N133-E521 PolarHBondContact ND2-OE1 3.45Å; N133-R524 WeakPolarHBondContact OD1-CD 3.46Å; N133-R524 PolarHBondContact OD1-NE 3.47Å; N133-S525 PolarHBondContact ND2-OG 3.33Å
134	D	97.5	Very high	96	Very high	106 Å²	106	40.6 Å²	40.6	57%	0.567	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	22.4	-178.6	-64.4	-50	0	0	0	114.6	P128 Q129 M132 T136	P128-D134 HydrophobicContact CB-CB 4.43Å; Q129-D134 WeakPolarHBondContact O-CA 3.44Å; Q129-D134 PolarHBondContact O-N 3.29Å; Q129-D134 VanDerWaalsContact O-N 3.09Å; M132-D134 VanDerWaalsContact C-N 3.28Å; M132-D134 PolarHBondContact O-N 2.79Å; D134-T136 PolarHBondContact O-N 2.85Å
135	R	97.2	Very high	96.1	Very high	62 Å²	62	39.6 Å²	39.6	23%	0.234	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-65.5	134.6	177.8	-69.1	-171.5	-61.4	139.9	4.6	110.5	Q129 M132 N133 M137 R524 S525 G527	Q129-R135 WeakPolarHBondContact CB-O 3.36Å; Q129-R135 PolarHBondContact N-O 3.35Å; M132-R135 VanDerWaalsContact CE-NH2 3.28Å; M132-R135 WeakPolarHBondContact O-CB 3.33Å; M132-R135 VanDerWaalsContact O-CG 3.26Å; M132-R135 WeakPolarHBondContact O-CG 3.34Å; M132-R135 PolarHBondContact O-N 3.2Å; M132-R135 PolarHBondContact O-NE 3.42Å; N133-R135 PolarHBondContact O-N 2.91Å; R135-M137 HydrophobicContact CB-CG 4.48Å; R135-R524 PolarHBondContact NE-O 2.77Å; R135-R524 PolarHBondContact NH2-O 3.48Å; R135-S525 PolarHBondContact NE-O 3.26Å; R135-S525 PolarHBondContact NH1-O 2.98Å; R135-G527 PolarHBondContact NH2-O 2.96Å
136	T	96.3	Very high	96.3	Very high	78 Å²	78	35.7 Å²	35.7	48%	0.479	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-85.1	116.4	163.5	-69.3	0	0	0	0	107.9	H125 T126 D134	H125-T136 HydrophobicContact CB-CG2 3.74Å; T126-T136 WeakPolarHBondContact O-CG2 3.06Å; D134-T136 PolarHBondContact O-N 2.85Å
137	M	95	Very high	96.4	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.02	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-98.9	141.2	-170.9	-57.5	177.4	69.5	0	0	110.7	H125 T126 Q129 M132 R135 L356 Y472 G527 D528	H125-M137 CarbonylContact C-O 3.58Å; H125-M137 VanDerWaalsContact CA-O 3.23Å; H125-M137 WeakPolarHBondContact CA-O 3.37Å; T126-M137 HydrophobicContact CG2-CB 4.02Å; T126-M137 PolarHBondContact N-O 3.13Å; T126-M137 PolarHBondContact OG1-N 3.37Å; Q129-M137 HydrophobicContact CB-SD 4.46Å; Q129-M137 HydrophobicContact CG-CG 4.22Å; Q129-M137 HydrophobicContact CG-SD 3.83Å; M132-M137 HydrophobicContact CE-CE 4.39Å; M132-M137 HydrophobicContact CG-SD 4.35Å; R135-M137 HydrophobicContact CB-CG 4.48Å; M137-L356 HydrophobicContact CE-CD1 4.25Å; M137-Y472 HydrophobicContact CE-CD2 4.26Å; M137-Y472 HydrophobicContact CE-CE2 3.9Å; M137-Y472 HydrophobicContact SD-CD2 3.68Å; M137-Y472 HydrophobicContact SD-CE2 3.62Å; M137-G527 WeakPolarHBondContact CE-O 3.36Å; M137-D528 HydrophobicContact CE-CB 4.43Å; M137-D528 VanDerWaalsContact CE-OD1 3.24Å; M137-D528 WeakPolarHBondContact CE-OD1 3.23Å
138	Y	94.1	Very high	96.5	Very high	7 Å²	7	35.7 Å²	35.7	3%	0.027	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	125.7	180	166.5	-113.3	0	0	0	111.1	L115 N121 Y123 H125 P140 H430 Y531	L115-Y138 PolarHBondContact O-OH 3.35Å; N121-Y138 PolarHBondContact ND2-OH 2.69Å; Y123-Y138 HydrophobicContact CD1-CE2 4.2Å; Y123-Y138 AromaticContact CD2-CE2 3.63Å; Y123-Y138 HydrophobicContact CD2-CE2 3.63Å; Y123-Y138 HydrophobicContact CE1-CE2 4.18Å; Y123-Y138 AromaticContact CE2-CE2 3.58Å; Y123-Y138 HydrophobicContact CE2-CE2 3.58Å; Y123-Y138 AromaticContact CE2-CZ 3.97Å; Y123-Y138 AromaticContact CG-CE2 3.92Å; Y123-Y138 HydrophobicContact CG-CE2 3.92Å; Y123-Y138 AromaticContact CZ-CE2 3.86Å; H125-Y138 AromaticContact NE2-CD2 3.92Å; Y138-P140 HydrophobicContact CD1-CG 4.32Å; Y138-P140 HydrophobicContact CE1-CB 4.02Å; Y138-P140 HydrophobicContact CE1-CG 3.65Å; Y138-P140 HydrophobicContact CE2-CB 4.42Å; Y138-P140 WeakPolarHBondContact OH-CB 3.28Å; Y138-H430 HydrophobicContact CD1-CB 4.24Å; Y138-H430 AromaticContact CD1-CD2 3.67Å; Y138-H430 AromaticContact CD1-CG 3.82Å; Y138-H430 AromaticContact CD1-NE2 3.92Å; Y138-H430 HydrophobicContact CE1-CB 4.4Å; Y138-Y531 WeakPolarHBondContact O-CE1 3.4Å
139	W	94.9	Very high	96.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	84.2	-176.5	-88.7	29.2	0	0	0	111	Y124 T126 I317 L352 D354 I468 P470 Y472 P533	Y124-W139 WeakPolarHBondContact CB-O 3.22Å; Y124-W139 PolarHBondContact N-O 2.88Å; Y124-W139 PolarHBondContact O-N 3.16Å; T126-W139 HydrophobicContact CG2-CD2 3.99Å; T126-W139 HydrophobicContact CG2-CG 4.09Å; T126-W139 HydrophobicContact CG2-CZ2 4.19Å; W139-I317 HydrophobicContact CE3-CD1 4.07Å; W139-I317 HydrophobicContact CZ3-CD1 4.44Å; W139-L352 HydrophobicContact CH2-CD1 4.36Å; W139-L352 HydrophobicContact CH2-CD2 3.93Å; W139-L352 HydrophobicContact CH2-CG 4.42Å; W139-L352 HydrophobicContact CZ3-CD1 4.46Å; W139-L352 HydrophobicContact CZ3-CD2 4.25Å; W139-D354 HydrophobicContact CH2-CB 4.38Å; W139-D354 HydrophobicContact CZ2-CB 4.36Å; W139-I468 HydrophobicContact CD2-CG2 4.16Å; W139-I468 HydrophobicContact CE3-CD1 4.29Å; W139-I468 HydrophobicContact CE3-CG2 3.44Å; W139-I468 VanDerWaalsContact CE3-CG2 3.44Å; W139-I468 HydrophobicContact CH2-CG2 3.81Å; W139-I468 HydrophobicContact CZ2-CG2 4.44Å; W139-I468 HydrophobicContact CZ3-CG2 3.24Å; W139-P470 HydrophobicContact CH2-CB 3.85Å; W139-P470 HydrophobicContact CH2-CG 4.11Å; W139-P470 HydrophobicContact CZ2-CB 3.64Å; W139-P470 HydrophobicContact CZ2-CG 3.58Å; W139-Y472 HydrophobicContact CZ2-CE2 4.26Å; W139-Y472 AromaticContact CZ2-CZ 3.81Å; W139-Y472 WeakPolarHBondContact CZ2-OH 3.29Å; W139-Y472 PolarHBondContact NE1-OH 3.37Å; W139-P533 HydrophobicContact CE3-CB 4.5Å; W139-P533 HydrophobicContact CH2-CB 4.11Å; W139-P533 HydrophobicContact CZ3-CB 3.75Å; W139-P533 HydrophobicContact CZ3-CG 4.24Å
140	P	94.5	Very high	96.6	Very high	6 Å²	6	31.9 Å²	31.9	4%	0.039	16%	0.155	C	C	.	.			trans	-63.2	146.9	173.2	25.1	-28.9	0	0	0	111.7	L115 N121 Y138 Y531	L115-P140 HydrophobicContact CD2-CB 3.84Å; L115-P140 HydrophobicContact CD2-CG 4.27Å; N121-P140 WeakPolarHBondContact OD1-CA 3.43Å; N121-P140 WeakPolarHBondContact OD1-CB 3.5Å; Y138-P140 HydrophobicContact CD1-CG 4.32Å; Y138-P140 HydrophobicContact CE1-CB 4.02Å; Y138-P140 HydrophobicContact CE1-CG 3.65Å; Y138-P140 HydrophobicContact CE2-CB 4.42Å; Y138-P140 WeakPolarHBondContact OH-CB 3.28Å; P140-Y531 HydrophobicContact CG-CD1 4.11Å; P140-Y531 HydrophobicContact CG-CD2 3.9Å; P140-Y531 HydrophobicContact CG-CE1 3.77Å; P140-Y531 HydrophobicContact CG-CE2 3.5Å; P140-Y531 HydrophobicContact CG-CG 4.15Å
141	R	96.2	Very high	96.7	Very high	38 Å²	38	25.5 Å²	25.5	14%	0.143	13%	0.132	C	C	.	.			trans	-148.8	133.3	173.7	-159.6	57.1	44.7	-168.6	-9	109.6	N121 W122 Y124 R143 S148 Y531	N121-R141 CarbonylContact C-O 3.49Å; N121-R141 VanDerWaalsContact CA-O 3.27Å; N121-R141 WeakPolarHBondContact CA-O 3.48Å; N121-R141 PolarHBondContact OD1-N 2.9Å; N121-R141 PolarHBondContact OD1-O 3.45Å; W122-R141 HydrophobicContact CB-CB 4.14Å; W122-R141 HydrophobicContact CG-CB 4.35Å; W122-R141 PolarHBondContact N-O 2.81Å; Y124-R141 HydrophobicContact CD2-CB 4.13Å; Y124-R141 HydrophobicContact CE2-CB 4.09Å; R141-R143 PolarHBondContact O-N 2.78Å; R141-S148 VanDerWaalsContact CD-OG 3.24Å; R141-S148 WeakPolarHBondContact CD-OG 3.34Å; R141-Y531 PolarHBondContact NH1-O 2.87Å; R141-Y531 PolarHBondContact NH2-O 3.01Å
142	G	96.8	Very high	96.7	Very high	9 Å²	9	25 Å²	25	9%	0.093	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-61.3	128.2	-179	0	0	0	0	0	112.5	W122 S148	W122-G142 PolarHBondContact NE1-O 2.95Å; G142-S148 PolarHBondContact N-OG 2.68Å
143	R	96.9	Very high	96.7	Very high	54 Å²	54	26.5 Å²	26.5	20%	0.204	14%	0.143	C	C	.	.			trans	-124.5	72.9	172.6	-166.1	-172.1	87.5	-127	-5.7	108	A93 G94 P95 D118 K119 Y120 N121 W122 R141	A93-R143 HydrophobicContact CB-CG 4.23Å; G94-R143 VanDerWaalsContact CA-O 3.31Å; G94-R143 WeakPolarHBondContact CA-O 3.16Å; P95-R143 WeakPolarHBondContact CD-O 3.35Å; D118-R143 PolarHBondContact O-NH1 3.19Å; D118-R143 PolarHBondContact O-NH2 2.89Å; K119-R143 PolarHBondContact O-NH2 3.07Å; Y120-R143 CarbonylContact C-O 3.54Å; Y120-R143 WeakPolarHBondContact CA-O 3.46Å; Y120-R143 CarbonylContact O-C 3.57Å; Y120-R143 PolarHBondContact O-N 3.27Å; N121-R143 PolarHBondContact O-NH1 3.36Å; W122-R143 HydrophobicContact CD2-CB 4.03Å; W122-R143 HydrophobicContact CD2-CG 3.89Å; W122-R143 HydrophobicContact CE3-CG 4.41Å; W122-R143 HydrophobicContact CG-CB 3.92Å; W122-R143 HydrophobicContact CG-CG 4.33Å; W122-R143 HydrophobicContact CH2-CG 4.35Å; W122-R143 HydrophobicContact CZ2-CG 3.79Å; R141-R143 PolarHBondContact O-N 2.78Å
144	V	97.9	Very high	96.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-168.9	161.1	-174.9	66.4	0	0	0	0	107.4	E92 P95 D97 I105 Y120 G146 G147 L151	E92-V144 PolarHBondContact OE1-N 3.16Å; E92-V144 VanDerWaalsContact OE1-N 3.1Å; P95-V144 HydrophobicContact CG-CG2 4.43Å; P95-V144 WeakPolarHBondContact O-CA 3.46Å; P95-V144 WeakPolarHBondContact O-CG2 3.47Å; D97-V144 HydrophobicContact CB-CG2 3.94Å; I105-V144 HydrophobicContact CD1-CG2 4.18Å; Y120-V144 HydrophobicContact CD1-CB 4.3Å; Y120-V144 HydrophobicContact CD1-CG2 4.03Å; V144-G146 PolarHBondContact O-N 2.94Å; V144-G147 VanDerWaalsContact O-CA 3.28Å; V144-G147 WeakPolarHBondContact O-CA 3.21Å; V144-G147 PolarHBondContact O-N 3.49Å; V144-L151 HydrophobicContact CG1-CD1 3.56Å
145	L	98.6	Very high	96.7	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	130.2	169	-65.6	-176.9	0	0	0	111.4	A64 E92 P95 D97 G147 S150 S258 L262 V274 T276	A64-L145 HydrophobicContact CB-CD2 3.51Å; E92-L145 HydrophobicContact CB-CD2 3.92Å; E92-L145 HydrophobicContact CG-CD2 4Å; P95-L145 PolarHBondContact O-N 3.38Å; P95-L145 VanDerWaalsContact O-N 3.12Å; D97-L145 HydrophobicContact CB-CB 4.21Å; D97-L145 WeakPolarHBondContact CB-O 3.38Å; D97-L145 WeakPolarHBondContact OD1-CB 3.45Å; L145-G147 VanDerWaalsContact C-N 3.3Å; L145-S150 PolarHBondContact O-OG 3.46Å; L145-S258 PolarHBondContact O-OG 3.16Å; L145-L262 HydrophobicContact CB-CD2 4.45Å; L145-L262 HydrophobicContact CD1-CD2 4.29Å; L145-L262 HydrophobicContact CD2-CD2 3.78Å; L145-L262 HydrophobicContact CG-CD2 4.4Å; L145-V274 HydrophobicContact CD2-CG1 3.87Å; L145-T276 HydrophobicContact CD1-CG2 3.99Å; L145-T276 HydrophobicContact CD2-CG2 3.87Å; L145-T276 HydrophobicContact CG-CG2 3.87Å
146	G	98.4	Very high	96.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	-10.2	-170.8	0	0	0	0	0	113.6	A64 V144 S148 S149 S150	A64-G146 CarbonylContact O-C 3.6Å; A64-G146 WeakPolarHBondContact O-CA 3.31Å; A64-G146 PolarHBondContact O-N 2.68Å; V144-G146 PolarHBondContact O-N 2.94Å; G146-S148 PolarHBondContact O-N 3.18Å; G146-S149 WeakPolarHBondContact O-CB 3.41Å; G146-S149 PolarHBondContact O-N 2.87Å; G146-S149 VanDerWaalsContact O-N 3.11Å; G146-S149 PolarHBondContact O-OG 3.29Å; G146-S150 WeakPolarHBondContact CA-OG 3.49Å
147	G	98.1	Very high	96.8	Very high	3 Å²	3	12 Å²	12	3%	0.031	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	48.2	-129.7	-178.9	0	0	0	0	0	111.5	A64 V144 L145 S149 S150	A64-G147 PolarHBondContact O-N 3.34Å; V144-G147 VanDerWaalsContact O-CA 3.28Å; V144-G147 WeakPolarHBondContact O-CA 3.21Å; V144-G147 PolarHBondContact O-N 3.49Å; L145-G147 VanDerWaalsContact C-N 3.3Å; G147-S149 PolarHBondContact O-N 3.35Å; G147-S150 WeakPolarHBondContact O-CB 3.41Å; G147-S150 PolarHBondContact O-N 2.88Å
148	S	97.9	Very high	96.9	Very high	36 Å²	36	12 Å²	12	25%	0.252	7%	0.067	S	C	.	.	G	3₁₀ helix	trans	-65.2	-24.4	-177	-54	0	0	0	0	113.8	R141 G142 G146 S150 L151 N152	R141-S148 VanDerWaalsContact CD-OG 3.24Å; R141-S148 WeakPolarHBondContact CD-OG 3.34Å; G142-S148 PolarHBondContact N-OG 2.68Å; G146-S148 PolarHBondContact O-N 3.18Å; S148-S150 PolarHBondContact O-N 3.04Å; S148-L151 PolarHBondContact O-N 3.15Å; S148-N152 VanDerWaalsContact O-CB 3.31Å; S148-N152 WeakPolarHBondContact O-CB 3.36Å; S148-N152 PolarHBondContact O-N 3.08Å
149	S	98.3	Very high	97	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.007	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-65.8	-19.6	174.9	73.9	0	0	0	0	113	G146 G147 R254 A257	G146-S149 WeakPolarHBondContact O-CB 3.41Å; G146-S149 PolarHBondContact O-N 2.87Å; G146-S149 VanDerWaalsContact O-N 3.11Å; G146-S149 PolarHBondContact O-OG 3.29Å; G147-S149 PolarHBondContact O-N 3.35Å; S149-R254 WeakPolarHBondContact O-CD 3.3Å; S149-R254 PolarHBondContact O-NH1 3.49Å; S149-R254 VanDerWaalsContact O-NH1 3.08Å; S149-A257 WeakPolarHBondContact OG-CB 3.44Å; S149-A257 PolarHBondContact OG-N 3.32Å
150	S	97.7	Very high	97.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-83.2	-12	174.4	-62.4	0	0	0	0	113.2	L145 G146 G147 S148 R254	L145-S150 PolarHBondContact O-OG 3.46Å; G146-S150 WeakPolarHBondContact CA-OG 3.49Å; G147-S150 WeakPolarHBondContact O-CB 3.41Å; G147-S150 PolarHBondContact O-N 2.88Å; S148-S150 PolarHBondContact O-N 3.04Å; S150-R254 PolarHBondContact O-NE 3.04Å
151	L	95.2	Very high	97.3	Very high	7 Å²	7	12.5 Å²	12.5	4%	0.037	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-26.2	-175.2	-77.5	72.5	0	0	0	113.9	N114 L115 Y120 N121 V144 S148	N114-L151 HydrophobicContact CB-CD2 4.3Å; N114-L151 HydrophobicContact CB-CG 4Å; L115-L151 HydrophobicContact CD2-CB 4.4Å; L115-L151 HydrophobicContact CD2-CD2 4.11Å; Y120-L151 WeakPolarHBondContact O-CD2 3.02Å; N121-L151 HydrophobicContact CB-CD2 4.16Å; V144-L151 HydrophobicContact CG1-CD1 3.56Å; S148-L151 PolarHBondContact O-N 3.15Å
152	N	95.9	Very high	97.2	Very high	43 Å²	43	13 Å²	13	23%	0.23	8%	0.077	C	C	.	.	S	Bend	trans	-62.1	177.2	-173.2	73.7	3.4	0	0	0	113.9	S148 M154 R254	S148-N152 VanDerWaalsContact O-CB 3.31Å; S148-N152 WeakPolarHBondContact O-CB 3.36Å; S148-N152 PolarHBondContact O-N 3.08Å; N152-M154 PolarHBondContact O-N 3.37Å; N152-M154 PolarHBondContact OD1-N 3.37Å; N152-R254 PolarHBondContact O-NH1 2.85Å; N152-R254 PolarHBondContact O-NH2 3.24Å; N152-R254 PolarHBondContact OD1-NH1 3.17Å
153	A	95.5	Very high	97.3	Very high	31 Å²	31	12.6 Å²	12.6	26%	0.256	7%	0.072	S	C	.	.			trans	-85.1	18.3	179.2	0	0	0	0	0	115	L111 V155 T399 L401	L111-A153 HydrophobicContact CD2-CB 4.38Å; A153-V155 PolarHBondContact O-N 3.34Å; A153-T399 WeakPolarHBondContact O-CB 3.36Å; A153-T399 VanDerWaalsContact O-CG2 3.22Å; A153-T399 WeakPolarHBondContact O-CG2 3.42Å; A153-T399 PolarHBondContact O-OG1 2.88Å; A153-L401 HydrophobicContact CB-CD1 3.51Å
154	M	97.4	Very high	97.3	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.063	C	C	.	.			trans	58.2	-3.1	174.8	-70.2	163.6	-85.8	0	0	117.8	P108 N152 Y156 M247 T248 I249 R254 T399	P108-M154 HydrophobicContact CB-CE 3.63Å; P108-M154 HydrophobicContact CB-SD 4.02Å; P108-M154 HydrophobicContact CG-CE 4.35Å; P108-M154 HydrophobicContact CG-SD 4.17Å; P108-M154 WeakPolarHBondContact O-CE 3.36Å; N152-M154 PolarHBondContact O-N 3.37Å; N152-M154 PolarHBondContact OD1-N 3.37Å; M154-Y156 PolarHBondContact O-N 3.04Å; M154-M247 CarbonylContact O-C 3.5Å; M154-M247 WeakPolarHBondContact O-CA 3.45Å; M154-T248 PolarHBondContact O-N 3.29Å; M154-T248 PolarHBondContact O-OG1 2.91Å; M154-I249 HydrophobicContact CB-CG1 4.28Å; M154-I249 HydrophobicContact CG-CG1 4.42Å; M154-I249 HydrophobicContact SD-CD1 4.05Å; M154-I249 HydrophobicContact SD-CG1 3.6Å; M154-R254 VanDerWaalsContact CE-CZ 3.47Å; M154-R254 HydrophobicContact CG-CG 4.04Å; M154-R254 VanDerWaalsContact CG-NH1 3.34Å; M154-R254 HydrophobicContact SD-CB 3.6Å; M154-R254 HydrophobicContact SD-CG 3.7Å; M154-T399 HydrophobicContact CB-CG2 3.96Å; M154-T399 HydrophobicContact CE-CG2 3Å; M154-T399 HydrophobicContact CG-CG2 4.41Å; M154-T399 HydrophobicContact SD-CG2 4.09Å
155	V	97.7	Very high	97.3	Very high	7 Å²	7	12.5 Å²	12.5	4%	0.042	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	125.8	175.1	-169.7	0	0	0	0	109.4	A153 I157 F245 L401	A153-V155 PolarHBondContact O-N 3.34Å; V155-I157 HydrophobicContact CG1-CD1 4.26Å; V155-I157 HydrophobicContact CG1-CG1 3.89Å; V155-F245 HydrophobicContact CG1-CB 4Å; V155-F245 HydrophobicContact CG1-CD2 3.64Å; V155-F245 HydrophobicContact CG1-CE2 4.38Å; V155-F245 HydrophobicContact CG1-CG 4.08Å; V155-L401 HydrophobicContact CG2-CB 3.67Å; V155-L401 HydrophobicContact CG2-CD1 3.96Å
156	Y	98.1	Very high	97.3	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.016	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	103.8	179.1	-178.5	-89	0	0	0	108.9	M154 R158 Q188 L204 V206 N235 D246 T248 A599	M154-Y156 PolarHBondContact O-N 3.04Å; Y156-R158 HydrophobicContact CE1-CG 3.82Å; Y156-R158 PolarHBondContact OH-NE 3Å; Y156-R158 VanDerWaalsContact OH-NE 3.12Å; Y156-Q188 VanDerWaalsContact CE1-NE2 3.29Å; Y156-L204 HydrophobicContact CD2-CD2 4.08Å; Y156-L204 HydrophobicContact CE2-CD2 3.77Å; Y156-V206 HydrophobicContact CD1-CG1 3.89Å; Y156-V206 HydrophobicContact CD1-CG2 4.25Å; Y156-V206 HydrophobicContact CD2-CG1 4.5Å; Y156-V206 HydrophobicContact CD2-CG2 3.61Å; Y156-V206 HydrophobicContact CE1-CG1 4.5Å; Y156-V206 HydrophobicContact CE1-CG2 4.42Å; Y156-V206 HydrophobicContact CE2-CG2 3.78Å; Y156-V206 HydrophobicContact CG-CG1 3.9Å; Y156-V206 HydrophobicContact CG-CG2 3.86Å; Y156-N235 PolarHBondContact O-ND2 3.14Å; Y156-N235 PolarHBondContact O-OD1 3.36Å; Y156-D246 HydrophobicContact CD1-CB 4.32Å; Y156-D246 PolarHBondContact N-O 3.36Å; Y156-T248 HydrophobicContact CD2-CG2 3.89Å; Y156-A599 HydrophobicContact CD2-CB 3.76Å; Y156-A599 HydrophobicContact CE1-CB 4.44Å; Y156-A599 HydrophobicContact CE2-CB 3.31Å; Y156-A599 HydrophobicContact CG-CB 4.48Å
157	I	98	Very high	97.3	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	9%	0.087	C	C	.	.			trans	-124.4	140.2	173.9	-59.7	-62	0	0	0	109.3	V155 V234 N235 F245 F406 N596 A599	V155-I157 HydrophobicContact CG1-CD1 4.26Å; V155-I157 HydrophobicContact CG1-CG1 3.89Å; I157-V234 HydrophobicContact CD1-CB 4.48Å; I157-V234 HydrophobicContact CD1-CG2 3.54Å; I157-N235 WeakPolarHBondContact CA-OD1 3.39Å; I157-F245 HydrophobicContact CD1-CD1 4.08Å; I157-F245 HydrophobicContact CD1-CE1 4.23Å; I157-F245 HydrophobicContact CD1-CG 4.3Å; I157-F406 HydrophobicContact CD1-CE2 4.05Å; I157-F406 HydrophobicContact CD1-CZ 4.08Å; I157-F406 HydrophobicContact CG1-CZ 4.24Å; I157-F406 HydrophobicContact CG2-CE1 4.47Å; I157-F406 HydrophobicContact CG2-CE2 4.49Å; I157-F406 HydrophobicContact CG2-CZ 3.74Å; I157-N596 HydrophobicContact CB-CB 4.04Å; I157-N596 HydrophobicContact CG1-CB 4.44Å; I157-N596 WeakPolarHBondContact CG1-OD1 3.31Å; I157-N596 VanDerWaalsContact O-O 3.14Å; I157-A599 WeakPolarHBondContact O-CB 3.38Å
158	R	97.3	Very high	97.3	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.008	10%	0.1	C	C	.	.			trans	-98.6	-16.2	178.5	-63	-179.5	-177.5	171.6	-14	114.6	Y156 Y164 F184 Y197 N235 A599	Y156-R158 HydrophobicContact CE1-CG 3.82Å; Y156-R158 PolarHBondContact OH-NE 3Å; Y156-R158 VanDerWaalsContact OH-NE 3.12Å; R158-Y164 PolarHBondContact O-OH 3.28Å; R158-F184 HydrophobicContact CB-CD1 4.32Å; R158-F184 HydrophobicContact CB-CE1 3.9Å; R158-F184 HydrophobicContact CB-CE2 4.37Å; R158-F184 HydrophobicContact CB-CZ 3.94Å; R158-F184 HydrophobicContact CG-CD1 3.71Å; R158-F184 HydrophobicContact CG-CE1 3.69Å; R158-F184 HydrophobicContact CG-CG 4.27Å; R158-F184 HydrophobicContact CG-CZ 4.23Å; R158-Y197 VanDerWaalsContact CZ-O 3.24Å; R158-Y197 PolarHBondContact NH1-O 2.87Å; R158-Y197 PolarHBondContact NH2-O 2.97Å; R158-N235 HydrophobicContact CG-CB 4.07Å; R158-N235 PolarHBondContact N-OD1 2.92Å; R158-N235 PolarHBondContact NH1-O 2.75Å; R158-A599 HydrophobicContact CG-CB 4.45Å
159	G	96.7	Very high	97.2	Very high	5 Å²	5	21.5 Å²	21.5	5%	0.052	12%	0.122	C	C	.	.			trans	84.1	175	-170.7	0	0	0	0	0	112.8	S594	G159-S594 WeakPolarHBondContact CA-O 3.22Å
160	N	97.3	Very high	97.1	Very high	12 Å²	12	23.9 Å²	23.9	6%	0.064	13%	0.133	C	C	.	.			trans	-84	143.3	-176.5	-161.4	-84.7	0	0	0	111.5	L162 D163 Y164 Q239 H415	N160-L162 PolarHBondContact O-N 3.26Å; N160-L162 WeakPolarHBondContact OD1-CB 3.31Å; N160-L162 PolarHBondContact OD1-N 2.81Å; N160-D163 VanDerWaalsContact CB-OD2 3.29Å; N160-D163 WeakPolarHBondContact CB-OD2 3.38Å; N160-D163 PolarHBondContact N-OD2 2.87Å; N160-D163 WeakPolarHBondContact O-CB 3.01Å; N160-D163 PolarHBondContact O-N 2.95Å; N160-Y164 VanDerWaalsContact O-CD2 3.26Å; N160-Y164 WeakPolarHBondContact O-CD2 3.33Å; N160-Q239 PolarHBondContact ND2-OE1 2.99Å; N160-H415 PolarHBondContact OD1-CD2 3.37Å
161	P	96.5	Very high	97.1	Very high	8 Å²	8	24.2 Å²	24.2	5%	0.052	14%	0.137	C	C	.	.	H	α-helix	trans	-47.8	-44	170.7	-30.8	36.9	0	0	0	114.2	D163 Y164 D165 Y177 Y631	P161-D163 PolarHBondContact O-N 3.46Å; P161-D163 VanDerWaalsContact O-N 3.16Å; P161-Y164 WeakPolarHBondContact O-CB 3.33Å; P161-Y164 PolarHBondContact O-N 3.5Å; P161-D165 PolarHBondContact O-N 3.08Å; P161-D165 VanDerWaalsContact O-N 3.16Å; P161-Y177 HydrophobicContact CB-CD1 3.67Å; P161-Y177 HydrophobicContact CB-CD2 4.01Å; P161-Y177 HydrophobicContact CB-CE1 4.04Å; P161-Y177 HydrophobicContact CB-CE2 4.32Å; P161-Y177 HydrophobicContact CB-CG 3.65Å; P161-Y177 HydrophobicContact CG-CD1 4.01Å; P161-Y177 HydrophobicContact CG-CD2 4.26Å; P161-Y177 HydrophobicContact CG-CE1 3.83Å; P161-Y177 HydrophobicContact CG-CE2 4.06Å; P161-Y177 HydrophobicContact CG-CG 4.22Å; P161-Y631 HydrophobicContact CB-CD1 3.76Å; P161-Y631 HydrophobicContact CB-CE1 4.04Å; P161-Y631 HydrophobicContact CB-CG 4.14Å; P161-Y631 HydrophobicContact CG-CD1 4.07Å; P161-Y631 HydrophobicContact CG-CG 4.09Å
162	L	96.1	Very high	97.2	Very high	48 Å²	48	23.9 Å²	23.9	25%	0.251	14%	0.135	S	C	.	.	H	α-helix	trans	-66.8	-18.9	-177	-62.2	-173	0	0	0	113.6	N160 R166 H415 Y631	N160-L162 PolarHBondContact O-N 3.26Å; N160-L162 WeakPolarHBondContact OD1-CB 3.31Å; N160-L162 PolarHBondContact OD1-N 2.81Å; L162-R166 WeakPolarHBondContact O-CB 3.34Å; L162-R166 PolarHBondContact O-N 3.44Å; L162-H415 HydrophobicContact CD1-CB 3.93Å; L162-Y631 HydrophobicContact CD2-CE2 3.96Å; L162-Y631 VanDerWaalsContact CD2-OH 3.24Å; L162-Y631 WeakPolarHBondContact CD2-OH 3.12Å; L162-Y631 HydrophobicContact CG-CE2 4.43Å
163	D	97.7	Very high	97.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-72.2	-33.6	174.7	-58.5	-41.6	0	0	0	111.9	N160 P161 R166 W167 H415 R448 V593 S594	N160-D163 VanDerWaalsContact CB-OD2 3.29Å; N160-D163 WeakPolarHBondContact CB-OD2 3.38Å; N160-D163 PolarHBondContact N-OD2 2.87Å; N160-D163 WeakPolarHBondContact O-CB 3.01Å; N160-D163 PolarHBondContact O-N 2.95Å; P161-D163 PolarHBondContact O-N 3.46Å; P161-D163 VanDerWaalsContact O-N 3.16Å; D163-R166 WeakPolarHBondContact O-CB 3.43Å; D163-R166 IonicContact OD1-NH2 3.85Å; D163-W167 VanDerWaalsContact O-CD1 3.24Å; D163-W167 PolarHBondContact O-N 2.88Å; D163-W167 VanDerWaalsContact O-N 3.15Å; D163-H415 IonicContact OD1-CD2 3.26Å; D163-H415 IonicContact OD1-CE1 3.18Å; D163-H415 IonicContact OD1-NE2 2.9Å; D163-H415 PolarHBondContact OD1-NE2 3.27Å; D163-R448 WeakPolarHBondContact OD1-CD 3.33Å; D163-R448 IonicContact OD1-NH1 2.81Å; D163-V593 HydrophobicContact CB-CB 4.06Å; D163-V593 HydrophobicContact CB-CG1 3.91Å; D163-S594 PolarHBondContact OD1-OG 2.8Å; D163-S594 VanDerWaalsContact OD1-OG 3.06Å; D163-S594 WeakPolarHBondContact OD2-CA 3.28Å; D163-S594 WeakPolarHBondContact OD2-CB 3.46Å; D163-S594 PolarHBondContact OD2-N 2.93Å; D163-S594 PolarHBondContact OD2-OG 3.33Å
164	Y	98.1	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-76.3	-41.4	176	-62	-74.8	0	0	0	111.2	R158 N160 P161 R166 W167 E168 N176 Y177 C180 F184 V593 P600 M603	R158-Y164 PolarHBondContact O-OH 3.28Å; N160-Y164 VanDerWaalsContact O-CD2 3.26Å; N160-Y164 WeakPolarHBondContact O-CD2 3.33Å; P161-Y164 WeakPolarHBondContact O-CB 3.33Å; P161-Y164 PolarHBondContact O-N 3.5Å; Y164-R166 PolarHBondContact O-N 3.28Å; Y164-W167 HydrophobicContact CD1-CD2 4.19Å; Y164-W167 AromaticContact CD1-CE3 3.67Å; Y164-W167 HydrophobicContact CD1-CE3 3.67Å; Y164-W167 HydrophobicContact CD1-CH2 4.24Å; Y164-W167 AromaticContact CD1-CZ3 3.7Å; Y164-W167 HydrophobicContact CD1-CZ3 3.7Å; Y164-W167 HydrophobicContact CE1-CE3 4.13Å; Y164-W167 AromaticContact CE1-CH2 3.85Å; Y164-W167 HydrophobicContact CE1-CH2 3.85Å; Y164-W167 HydrophobicContact CE1-CZ2 4.43Å; Y164-W167 AromaticContact CE1-CZ3 3.68Å; Y164-W167 HydrophobicContact CE1-CZ3 3.68Å; Y164-W167 VanDerWaalsContact O-CB 3.29Å; Y164-W167 WeakPolarHBondContact O-CB 3.43Å; Y164-W167 PolarHBondContact O-N 3.5Å; Y164-E168 PolarHBondContact O-N 2.93Å; Y164-N176 WeakPolarHBondContact O-CA 3.38Å; Y164-Y177 AromaticContact CD2-CD2 3.68Å; Y164-Y177 HydrophobicContact CD2-CD2 3.68Å; Y164-Y177 HydrophobicContact CD2-CE2 4.42Å; Y164-Y177 HydrophobicContact CE2-CD2 4.28Å; Y164-Y177 HydrophobicContact CG-CD2 4.34Å; Y164-C180 HydrophobicContact CD1-CB 4.29Å; Y164-F184 HydrophobicContact CE1-CE2 4.41Å; Y164-F184 HydrophobicContact CE2-CE2 4.18Å; Y164-F184 AromaticContact CZ-CE2 3.87Å; Y164-F184 AromaticContact CZ-CZ 3.89Å; Y164-F184 VanDerWaalsContact OH-CZ 3.32Å; Y164-F184 WeakPolarHBondContact OH-CZ 3.32Å; Y164-V593 HydrophobicContact CE1-CG1 4.02Å; Y164-P600 WeakPolarHBondContact OH-CG 3.27Å; Y164-M603 HydrophobicContact CD1-CE 4.29Å; Y164-M603 HydrophobicContact CE1-CE 3.66Å
165	D	97.2	Very high	97.5	Very high	53 Å²	53	25.2 Å²	25.2	28%	0.283	14%	0.142	S	C	.	.	H	α-helix	trans	-60.2	-37	174.1	-62.5	-13.8	0	0	0	110.4	P161 E168 S169 Y177	P161-D165 PolarHBondContact O-N 3.08Å; P161-D165 VanDerWaalsContact O-N 3.16Å; D165-E168 PolarHBondContact O-N 3.37Å; D165-S169 PolarHBondContact O-N 2.87Å; D165-Y177 WeakPolarHBondContact OD1-CB 3.34Å; D165-Y177 PolarHBondContact OD1-N 3.31Å
166	R	97.6	Very high	97.5	Very high	61 Å²	61	26.1 Å²	26.1	23%	0.23	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-41.5	170	177.7	-175.7	58.8	-178.8	-1.2	112.6	L162 D163 Y164 E168 S169 E170 I592	L162-R166 WeakPolarHBondContact O-CB 3.34Å; L162-R166 PolarHBondContact O-N 3.44Å; D163-R166 WeakPolarHBondContact O-CB 3.43Å; D163-R166 IonicContact OD1-NH2 3.85Å; Y164-R166 PolarHBondContact O-N 3.28Å; R166-E168 PolarHBondContact O-N 2.79Å; R166-S169 WeakPolarHBondContact CA-OG 3.38Å; R166-S169 CarbonylContact O-C 3.38Å; R166-S169 WeakPolarHBondContact O-CA 3.34Å; R166-S169 PolarHBondContact O-N 2.88Å; R166-S169 PolarHBondContact O-OG 3.07Å; R166-E170 HydrophobicContact CG-CG 4.1Å; R166-E170 WeakPolarHBondContact O-CB 3.4Å; R166-E170 WeakPolarHBondContact O-CG 3.39Å; R166-E170 PolarHBondContact O-N 3.13Å; R166-I592 PolarHBondContact NH2-O 3.14Å
167	W	98.4	Very high	97.5	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-54.7	-42	177.2	-72.3	-5.2	0	0	0	112.3	D163 Y164 E170 G171 A172 W175 M589 P590 S591 V593 M603 M604	D163-W167 VanDerWaalsContact O-CD1 3.24Å; D163-W167 PolarHBondContact O-N 2.88Å; D163-W167 VanDerWaalsContact O-N 3.15Å; Y164-W167 HydrophobicContact CD1-CD2 4.19Å; Y164-W167 AromaticContact CD1-CE3 3.67Å; Y164-W167 HydrophobicContact CD1-CE3 3.67Å; Y164-W167 HydrophobicContact CD1-CH2 4.24Å; Y164-W167 AromaticContact CD1-CZ3 3.7Å; Y164-W167 HydrophobicContact CD1-CZ3 3.7Å; Y164-W167 HydrophobicContact CE1-CE3 4.13Å; Y164-W167 AromaticContact CE1-CH2 3.85Å; Y164-W167 HydrophobicContact CE1-CH2 3.85Å; Y164-W167 HydrophobicContact CE1-CZ2 4.43Å; Y164-W167 AromaticContact CE1-CZ3 3.68Å; Y164-W167 HydrophobicContact CE1-CZ3 3.68Å; Y164-W167 VanDerWaalsContact O-CB 3.29Å; Y164-W167 WeakPolarHBondContact O-CB 3.43Å; Y164-W167 PolarHBondContact O-N 3.5Å; W167-E170 CarbonylContact O-C 3.4Å; W167-E170 WeakPolarHBondContact O-CB 3.5Å; W167-E170 PolarHBondContact O-N 2.79Å; W167-E170 VanDerWaalsContact O-N 3.15Å; W167-G171 PolarHBondContact O-N 3.07Å; W167-A172 HydrophobicContact CB-CB 4.2Å; W167-A172 WeakPolarHBondContact O-CB 3.3Å; W167-A172 PolarHBondContact O-N 2.85Å; W167-W175 HydrophobicContact CE3-CB 4.26Å; W167-W175 HydrophobicContact CZ3-CE3 4.37Å; W167-M589 HydrophobicContact CH2-CB 4.39Å; W167-M589 HydrophobicContact CH2-CG 3.82Å; W167-M589 HydrophobicContact CH2-SD 4.44Å; W167-M589 HydrophobicContact CZ2-CB 3.78Å; W167-M589 HydrophobicContact CZ2-CG 3.6Å; W167-M589 HydrophobicContact CZ2-SD 4.09Å; W167-P590 HydrophobicContact CB-CG 4.05Å; W167-P590 HydrophobicContact CD2-CG 4.45Å; W167-P590 HydrophobicContact CG-CB 4.4Å; W167-P590 HydrophobicContact CG-CG 3.95Å; W167-S591 PolarHBondContact NE1-O 3.13Å; W167-V593 HydrophobicContact CH2-CG1 4.07Å; W167-V593 HydrophobicContact CZ2-CG1 3.37Å; W167-M603 HydrophobicContact CZ3-CE 4.38Å; W167-M604 HydrophobicContact CH2-CG 4.44Å; W167-M604 HydrophobicContact CH2-SD 3.8Å; W167-M604 HydrophobicContact CZ3-CG 4.34Å; W167-M604 HydrophobicContact CZ3-SD 4.07Å
168	E	97.9	Very high	97.5	Very high	65 Å²	65	27 Å²	27	30%	0.304	15%	0.154	S	C	.	.	H	α-helix	trans	-62.9	-45.2	175.8	-177.7	163	-108.4	0	0	111.5	Y164 D165 R166 E170 G171 G174 N176	Y164-E168 PolarHBondContact O-N 2.93Å; D165-E168 PolarHBondContact O-N 3.37Å; R166-E168 PolarHBondContact O-N 2.79Å; E168-E170 PolarHBondContact O-N 2.75Å; E168-G171 PolarHBondContact O-N 3.29Å; E168-G174 PolarHBondContact OE1-N 3.38Å; E168-N176 HydrophobicContact CB-CB 4.03Å; E168-N176 PolarHBondContact OE1-ND2 3.37Å; E168-N176 WeakPolarHBondContact OE2-CB 3.47Å; E168-N176 PolarHBondContact OE2-ND2 3.22Å
169	S	97.1	Very high	97.6	Very high	102 Å²	102	28.6 Å²	28.6	71%	0.713	16%	0.163	S	C	*	.	H	α-helix	trans	-61.7	-26	174.3	78.6	0	0	0	0	113.5	D165 R166 G171	D165-S169 PolarHBondContact O-N 2.87Å; R166-S169 WeakPolarHBondContact CA-OG 3.38Å; R166-S169 CarbonylContact O-C 3.38Å; R166-S169 WeakPolarHBondContact O-CA 3.34Å; R166-S169 PolarHBondContact O-N 2.88Å; R166-S169 PolarHBondContact O-OG 3.07Å; S169-G171 VanDerWaalsContact C-N 3.26Å; S169-G171 PolarHBondContact O-N 3.32Å
170	E	96.3	Very high	97.6	Very high	50 Å²	50	28.4 Å²	28.4	23%	0.234	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-1	176.1	-73	174.8	149.2	0	0	112.8	R166 W167 E168 R538 P590 S591	R166-E170 HydrophobicContact CG-CG 4.1Å; R166-E170 WeakPolarHBondContact O-CB 3.4Å; R166-E170 WeakPolarHBondContact O-CG 3.39Å; R166-E170 PolarHBondContact O-N 3.13Å; W167-E170 CarbonylContact O-C 3.4Å; W167-E170 WeakPolarHBondContact O-CB 3.5Å; W167-E170 PolarHBondContact O-N 2.79Å; W167-E170 VanDerWaalsContact O-N 3.15Å; E168-E170 PolarHBondContact O-N 2.75Å; E170-R538 PolarHBondContact O-NH2 2.64Å; E170-P590 HydrophobicContact CB-CB 4.01Å; E170-P590 VanDerWaalsContact OE2-CB 3.3Å; E170-P590 WeakPolarHBondContact OE2-CB 3.15Å; E170-S591 PolarHBondContact OE1-OG 2.89Å; E170-S591 WeakPolarHBondContact OE2-CB 3.26Å; E170-S591 PolarHBondContact OE2-OG 3.28Å
171	G	96.7	Very high	97.7	Very high	8 Å²	8	27.8 Å²	27.8	8%	0.082	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.5	6.2	173.7	0	0	0	0	0	115.3	W167 E168 S169 D173	W167-G171 PolarHBondContact O-N 3.07Å; E168-G171 PolarHBondContact O-N 3.29Å; S169-G171 VanDerWaalsContact C-N 3.26Å; S169-G171 PolarHBondContact O-N 3.32Å; G171-D173 VanDerWaalsContact C-N 3.27Å; G171-D173 PolarHBondContact O-N 3.26Å; G171-D173 VanDerWaalsContact O-N 3.13Å
172	A	98.1	Very high	97.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.			trans	-83.9	69.8	171.4	0	0	0	0	0	110.4	W167 G174 W175 M539 P590	W167-A172 HydrophobicContact CB-CB 4.2Å; W167-A172 WeakPolarHBondContact O-CB 3.3Å; W167-A172 PolarHBondContact O-N 2.85Å; A172-G174 PolarHBondContact O-N 2.85Å; A172-W175 HydrophobicContact CB-CB 3.98Å; A172-W175 HydrophobicContact CB-CG 4.16Å; A172-W175 VanDerWaalsContact O-CB 3.27Å; A172-W175 WeakPolarHBondContact O-CB 3.31Å; A172-W175 PolarHBondContact O-N 2.93Å; A172-M539 HydrophobicContact CB-CB 4.46Å; A172-M539 HydrophobicContact CB-CG 3.88Å; A172-M539 HydrophobicContact CB-SD 3.44Å; A172-M539 WeakPolarHBondContact CB-SD 3.16Å; A172-P590 HydrophobicContact CB-CG 3.72Å
173	D	98.2	Very high	97.9	Very high	76 Å²	76	25.6 Å²	25.6	41%	0.406	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	132.2	-176.5	-66.1	-25.4	0	0	0	112.5	G171 W175 K541 S571	G171-D173 VanDerWaalsContact C-N 3.27Å; G171-D173 PolarHBondContact O-N 3.26Å; G171-D173 VanDerWaalsContact O-N 3.13Å; D173-W175 VanDerWaalsContact C-N 3.26Å; D173-W175 PolarHBondContact O-N 2.79Å; D173-K541 WeakPolarHBondContact OD1-CE 3.25Å; D173-K541 IonicContact OD1-NZ 3.42Å; D173-K541 PolarHBondContact OD1-NZ 2.87Å; D173-K541 WeakPolarHBondContact OD2-CE 3.31Å; D173-K541 IonicContact OD2-NZ 3.37Å; D173-K541 PolarHBondContact OD2-NZ 3.42Å; D173-S571 PolarHBondContact N-OG 2.79Å
174	G	98	Very high	97.9	Very high	22 Å²	22	25.7 Å²	25.7	23%	0.227	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	11.7	-179.5	0	0	0	0	0	114	E168 A172 N179 K607	E168-G174 PolarHBondContact OE1-N 3.38Å; A172-G174 PolarHBondContact O-N 2.85Å; G174-N179 WeakPolarHBondContact O-CB 3.37Å; G174-K607 PolarHBondContact O-NZ 2.95Å
175	W	98.6	Very high	97.9	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.011	16%	0.159	C	C	.	.			trans	-103.8	15.9	174.7	-69.1	86.2	0	0	0	114.3	W167 A172 D173 C180 M539 S571 M603 M604 K607 I611	W167-W175 HydrophobicContact CE3-CB 4.26Å; W167-W175 HydrophobicContact CZ3-CE3 4.37Å; A172-W175 HydrophobicContact CB-CB 3.98Å; A172-W175 HydrophobicContact CB-CG 4.16Å; A172-W175 VanDerWaalsContact O-CB 3.27Å; A172-W175 WeakPolarHBondContact O-CB 3.31Å; A172-W175 PolarHBondContact O-N 2.93Å; D173-W175 VanDerWaalsContact C-N 3.26Å; D173-W175 PolarHBondContact O-N 2.79Å; W175-C180 PolarHBondContact O-SG 3.09Å; W175-C180 VanDerWaalsContact O-SG 3.35Å; W175-M539 VanDerWaalsContact CD1-SD 3.51Å; W175-M539 HydrophobicContact CD2-SD 4.36Å; W175-M539 HydrophobicContact CG-SD 4.13Å; W175-M539 HydrophobicContact CZ2-CE 3.9Å; W175-M539 PolarHBondContact NE1-SD 2.98Å; W175-M539 VanDerWaalsContact NE1-SD 3.36Å; W175-S571 PolarHBondContact NE1-O 2.98Å; W175-M603 HydrophobicContact CZ3-SD 4.17Å; W175-M604 HydrophobicContact CE3-CG 4.41Å; W175-M604 HydrophobicContact CH2-CB 4.04Å; W175-M604 HydrophobicContact CH2-CG 4.13Å; W175-M604 HydrophobicContact CZ3-CB 3.94Å; W175-M604 HydrophobicContact CZ3-CG 3.61Å; W175-K607 HydrophobicContact CD2-CD 4.36Å; W175-K607 HydrophobicContact CE3-CD 4.05Å; W175-K607 HydrophobicContact CH2-CB 4.1Å; W175-K607 HydrophobicContact CH2-CD 3.83Å; W175-K607 HydrophobicContact CH2-CG 4.15Å; W175-K607 HydrophobicContact CZ2-CD 4.13Å; W175-K607 HydrophobicContact CZ2-CG 4.48Å; W175-K607 HydrophobicContact CZ3-CB 4.34Å; W175-K607 HydrophobicContact CZ3-CD 3.75Å; W175-K607 HydrophobicContact CZ3-CG 4.47Å; W175-I611 HydrophobicContact CZ2-CD1 4.4Å
176	N	98	Very high	98	Very high	27 Å²	27	28.4 Å²	28.4	14%	0.144	15%	0.154	C	C	.	.	S	Bend	trans	-62.3	168.8	169	69.5	25.1	0	0	0	112.6	Y164 E168 A178 N179 C180	Y164-N176 WeakPolarHBondContact O-CA 3.38Å; E168-N176 HydrophobicContact CB-CB 4.03Å; E168-N176 PolarHBondContact OE1-ND2 3.37Å; E168-N176 WeakPolarHBondContact OE2-CB 3.47Å; E168-N176 PolarHBondContact OE2-ND2 3.22Å; N176-A178 VanDerWaalsContact C-N 3.27Å; N176-A178 PolarHBondContact O-N 2.75Å; N176-A178 WeakPolarHBondContact OD1-CB 3.31Å; N176-A178 PolarHBondContact OD1-N 2.91Å; N176-N179 PolarHBondContact O-N 3.3Å; N176-N179 PolarHBondContact OD1-N 2.85Å; N176-N179 PolarHBondContact OD1-ND2 3.33Å; N176-C180 PolarHBondContact O-N 3.4Å; N176-C180 PolarHBondContact O-SG 3.33Å
177	Y	97.7	Very high	98	Very high	6 Å²	6	25.6 Å²	25.6	2%	0.024	14%	0.144	C	C	.	.	H	α-helix	trans	-61.3	-37	-174.1	-173.9	-115.3	0	0	0	112.8	P161 Y164 D165 N179 C180 L181 L629	P161-Y177 HydrophobicContact CB-CD1 3.67Å; P161-Y177 HydrophobicContact CB-CD2 4.01Å; P161-Y177 HydrophobicContact CB-CE1 4.04Å; P161-Y177 HydrophobicContact CB-CE2 4.32Å; P161-Y177 HydrophobicContact CB-CG 3.65Å; P161-Y177 HydrophobicContact CG-CD1 4.01Å; P161-Y177 HydrophobicContact CG-CD2 4.26Å; P161-Y177 HydrophobicContact CG-CE1 3.83Å; P161-Y177 HydrophobicContact CG-CE2 4.06Å; P161-Y177 HydrophobicContact CG-CG 4.22Å; Y164-Y177 AromaticContact CD2-CD2 3.68Å; Y164-Y177 HydrophobicContact CD2-CD2 3.68Å; Y164-Y177 HydrophobicContact CD2-CE2 4.42Å; Y164-Y177 HydrophobicContact CE2-CD2 4.28Å; Y164-Y177 HydrophobicContact CG-CD2 4.34Å; D165-Y177 WeakPolarHBondContact OD1-CB 3.34Å; D165-Y177 PolarHBondContact OD1-N 3.31Å; Y177-N179 PolarHBondContact O-N 3.39Å; Y177-C180 PolarHBondContact O-N 2.92Å; Y177-L181 HydrophobicContact CE1-CB 4.43Å; Y177-L181 HydrophobicContact CE1-CD2 4.27Å; Y177-L181 HydrophobicContact CE2-CD1 4.5Å; Y177-L181 PolarHBondContact O-N 2.52Å; Y177-L629 HydrophobicContact CD1-CD1 3.78Å; Y177-L629 HydrophobicContact CE1-CD1 4.12Å
178	A	97.9	Very high	98.1	Very high	18 Å²	18	25.5 Å²	25.5	15%	0.149	14%	0.143	C	C	.	.	H	α-helix	trans	-57.3	-37.7	176.5	0	0	0	0	0	112.8	N176 P182 A625 D626 L629	N176-A178 VanDerWaalsContact C-N 3.27Å; N176-A178 PolarHBondContact O-N 2.75Å; N176-A178 WeakPolarHBondContact OD1-CB 3.31Å; N176-A178 PolarHBondContact OD1-N 2.91Å; A178-P182 WeakPolarHBondContact O-CD 3.43Å; A178-A625 HydrophobicContact CB-CB 4.18Å; A178-A625 CarbonylContact O-C 3.6Å; A178-A625 WeakPolarHBondContact O-CA 3.44Å; A178-D626 VanDerWaalsContact CB-O 3.24Å; A178-D626 WeakPolarHBondContact CB-O 3.37Å; A178-D626 PolarHBondContact O-N 2.76Å; A178-L629 HydrophobicContact CB-CD1 4Å
179	N	98.4	Very high	98.1	Very high	35 Å²	35	24 Å²	24	19%	0.187	14%	0.139	C	C	.	.	H	α-helix	trans	-82.6	-22.9	175.8	-74.6	-76.3	0	0	0	113.6	G174 N176 Y177 Y183	G174-N179 WeakPolarHBondContact O-CB 3.37Å; N176-N179 PolarHBondContact O-N 3.3Å; N176-N179 PolarHBondContact OD1-N 2.85Å; N176-N179 PolarHBondContact OD1-ND2 3.33Å; Y177-N179 PolarHBondContact O-N 3.39Å; N179-Y183 WeakPolarHBondContact O-CD2 3.22Å
180	C	98.5	Very high	98.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-85.7	-36.1	-179.9	-73.5	0	0	0	0	113.5	Y164 W175 N176 Y177 Y183 F184 M603	Y164-C180 HydrophobicContact CD1-CB 4.29Å; W175-C180 PolarHBondContact O-SG 3.09Å; W175-C180 VanDerWaalsContact O-SG 3.35Å; N176-C180 PolarHBondContact O-N 3.4Å; N176-C180 PolarHBondContact O-SG 3.33Å; Y177-C180 PolarHBondContact O-N 2.92Å; C180-Y183 WeakPolarHBondContact O-CB 3.32Å; C180-Y183 PolarHBondContact O-N 3.02Å; C180-F184 HydrophobicContact CB-CD2 4.44Å; C180-F184 HydrophobicContact CB-CE2 4.26Å; C180-F184 PolarHBondContact O-N 2.77Å; C180-F184 VanDerWaalsContact O-N 3.08Å; C180-M603 HydrophobicContact CB-CE 3.86Å; C180-M603 HydrophobicContact CB-CG 4.47Å; C180-M603 HydrophobicContact CB-SD 3.8Å; C180-M603 VanDerWaalsContact SG-CE 3.53Å; C180-M603 VanDerWaalsContact SG-SD 3.64Å
181	L	98.2	Very high	98.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58	-41.7	-175.8	-174.5	63.2	0	0	0	114.6	Y177 Y183 F184 R185 Y197 L629	Y177-L181 HydrophobicContact CE1-CB 4.43Å; Y177-L181 HydrophobicContact CE1-CD2 4.27Å; Y177-L181 HydrophobicContact CE2-CD1 4.5Å; Y177-L181 PolarHBondContact O-N 2.52Å; L181-Y183 PolarHBondContact O-N 3.4Å; L181-F184 HydrophobicContact CD1-CB 4.38Å; L181-F184 PolarHBondContact O-N 2.92Å; L181-R185 PolarHBondContact O-N 3.16Å; L181-Y197 HydrophobicContact CD1-CD1 4.44Å; L181-Y197 HydrophobicContact CD2-CD1 4.16Å; L181-L629 HydrophobicContact CD2-CD1 4.26Å; L181-L629 HydrophobicContact CD2-CD2 3.32Å; L181-L629 HydrophobicContact CD2-CG 4.45Å
182	P	98.4	Very high	98.1	Very high	10 Å²	10	22.4 Å²	22.4	7%	0.065	12%	0.12	C	C	.	.	H	α-helix	trans	-54	-36	174	-26.2	34.8	0	0	0	112.8	A178 R185 K186 L623 P624 D626	A178-P182 WeakPolarHBondContact O-CD 3.43Å; P182-R185 PolarHBondContact O-N 2.8Å; P182-K186 WeakPolarHBondContact O-CB 3.28Å; P182-K186 PolarHBondContact O-N 2.59Å; P182-L623 HydrophobicContact CB-CB 3.9Å; P182-L623 HydrophobicContact CB-CD1 3.79Å; P182-P624 WeakPolarHBondContact CG-O 3.4Å; P182-D626 HydrophobicContact CG-CB 4.34Å
183	Y	98.7	Very high	97.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-79.2	-33.6	179.6	-73.1	-74	0	0	0	113.5	N179 C180 L181 R185 K186 A187 E606 K607 D610 V622 L623	N179-Y183 WeakPolarHBondContact O-CD2 3.22Å; C180-Y183 WeakPolarHBondContact O-CB 3.32Å; C180-Y183 PolarHBondContact O-N 3.02Å; L181-Y183 PolarHBondContact O-N 3.4Å; Y183-R185 VanDerWaalsContact C-N 3.29Å; Y183-R185 PolarHBondContact O-N 3.36Å; Y183-K186 HydrophobicContact CD1-CD 3.87Å; Y183-K186 HydrophobicContact CE1-CD 4Å; Y183-K186 PolarHBondContact O-N 3.33Å; Y183-A187 WeakPolarHBondContact O-CB 3.29Å; Y183-A187 PolarHBondContact O-N 3.01Å; Y183-E606 HydrophobicContact CD1-CB 3.75Å; Y183-E606 HydrophobicContact CE1-CB 4.5Å; Y183-E606 WeakPolarHBondContact CE1-O 3.49Å; Y183-K607 HydrophobicContact CD1-CB 3.9Å; Y183-K607 HydrophobicContact CD2-CB 3.73Å; Y183-K607 HydrophobicContact CD2-CD 3.89Å; Y183-K607 HydrophobicContact CD2-CG 3.88Å; Y183-K607 VanDerWaalsContact CE1-CA 3.4Å; Y183-K607 HydrophobicContact CE1-CB 3.92Å; Y183-K607 HydrophobicContact CE1-CG 4.38Å; Y183-K607 HydrophobicContact CE2-CB 3.77Å; Y183-K607 HydrophobicContact CE2-CD 3.83Å; Y183-K607 HydrophobicContact CE2-CG 3.53Å; Y183-K607 HydrophobicContact CG-CB 3.79Å; Y183-K607 HydrophobicContact CG-CG 4.44Å; Y183-D610 HydrophobicContact CE1-CB 4.35Å; Y183-D610 WeakPolarHBondContact CE1-OD2 3.47Å; Y183-D610 WeakPolarHBondContact OH-CB 3.18Å; Y183-D610 PolarHBondContact OH-OD2 3.44Å; Y183-V622 WeakPolarHBondContact OH-CA 3.37Å; Y183-L623 HydrophobicContact CD1-CD1 4.25Å; Y183-L623 HydrophobicContact CE1-CD1 4.07Å; Y183-L623 HydrophobicContact CE1-CG 4.14Å; Y183-L623 HydrophobicContact CE2-CB 3.97Å; Y183-L623 HydrophobicContact CE2-CD1 4.5Å; Y183-L623 HydrophobicContact CE2-CG 4.35Å; Y183-L623 PolarHBondContact OH-N 2.82Å
184	F	98.5	Very high	97.7	Very high	1 Å²	1	26 Å²	26	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-41.5	167.2	-80.7	-60.8	0	0	0	112	R158 Y164 C180 L181 Q188 A599 M603	R158-F184 HydrophobicContact CB-CD1 4.32Å; R158-F184 HydrophobicContact CB-CE1 3.9Å; R158-F184 HydrophobicContact CB-CE2 4.37Å; R158-F184 HydrophobicContact CB-CZ 3.94Å; R158-F184 HydrophobicContact CG-CD1 3.71Å; R158-F184 HydrophobicContact CG-CE1 3.69Å; R158-F184 HydrophobicContact CG-CG 4.27Å; R158-F184 HydrophobicContact CG-CZ 4.23Å; Y164-F184 HydrophobicContact CE1-CE2 4.41Å; Y164-F184 HydrophobicContact CE2-CE2 4.18Å; Y164-F184 AromaticContact CZ-CE2 3.87Å; Y164-F184 AromaticContact CZ-CZ 3.89Å; Y164-F184 VanDerWaalsContact OH-CZ 3.32Å; Y164-F184 WeakPolarHBondContact OH-CZ 3.32Å; C180-F184 HydrophobicContact CB-CD2 4.44Å; C180-F184 HydrophobicContact CB-CE2 4.26Å; C180-F184 PolarHBondContact O-N 2.77Å; C180-F184 VanDerWaalsContact O-N 3.08Å; L181-F184 HydrophobicContact CD1-CB 4.38Å; L181-F184 PolarHBondContact O-N 2.92Å; F184-Q188 WeakPolarHBondContact O-CB 3.44Å; F184-Q188 PolarHBondContact O-N 3.24Å; F184-A599 HydrophobicContact CE1-CB 4.16Å; F184-M603 HydrophobicContact CD1-CB 3.74Å; F184-M603 HydrophobicContact CD1-CG 4.01Å; F184-M603 HydrophobicContact CD2-CB 4.44Å; F184-M603 HydrophobicContact CD2-CG 3.83Å; F184-M603 HydrophobicContact CE1-CB 3.55Å; F184-M603 HydrophobicContact CE1-CG 3.99Å; F184-M603 HydrophobicContact CE2-CB 4.28Å; F184-M603 HydrophobicContact CE2-CE 3.97Å; F184-M603 HydrophobicContact CE2-CG 3.81Å; F184-M603 HydrophobicContact CG-CB 4.18Å; F184-M603 HydrophobicContact CG-CG 3.92Å; F184-M603 HydrophobicContact CZ-CB 3.83Å; F184-M603 HydrophobicContact CZ-CE 3.94Å; F184-M603 HydrophobicContact CZ-CG 3.87Å
185	R	98.2	Very high	97.6	Very high	68 Å²	68	28.6 Å²	28.6	26%	0.257	16%	0.155	S	C	.	.	H	α-helix	trans	-66.8	-46.7	173.9	-70.3	-174.1	-69	-167.1	-3.3	111.8	L181 P182 Y183 A187 Q188 Q196 Y197 G199 D626	L181-R185 PolarHBondContact O-N 3.16Å; P182-R185 PolarHBondContact O-N 2.8Å; Y183-R185 VanDerWaalsContact C-N 3.29Å; Y183-R185 PolarHBondContact O-N 3.36Å; R185-A187 PolarHBondContact O-N 3.46Å; R185-Q188 PolarHBondContact O-N 3.5Å; R185-Q188 VanDerWaalsContact O-N 3.16Å; R185-Q196 WeakPolarHBondContact CD-O 3.32Å; R185-Q196 PolarHBondContact NH1-O 3.34Å; R185-Y197 WeakPolarHBondContact CG-O 3.26Å; R185-G199 VanDerWaalsContact O-CA 3.28Å; R185-G199 WeakPolarHBondContact O-CA 3.34Å; R185-D626 IonicContact CZ-OD2 3.95Å; R185-D626 IonicContact NH1-OD2 2.92Å; R185-D626 PolarHBondContact NH1-OD2 3.22Å; R185-D626 IonicContact NH2-OD2 2.99Å; R185-D626 PolarHBondContact NH2-OD2 2.91Å
186	K	98.5	Very high	97.4	Very high	43 Å²	43	32.4 Å²	32.4	19%	0.187	17%	0.173	C	C	.	.	H	α-helix	trans	-55.1	-39.1	178.3	-174	-172.3	-178.3	-174.4	0	112.5	P182 Y183 G202 E606 D610 L623	P182-K186 WeakPolarHBondContact O-CB 3.28Å; P182-K186 PolarHBondContact O-N 2.59Å; Y183-K186 HydrophobicContact CD1-CD 3.87Å; Y183-K186 HydrophobicContact CE1-CD 4Å; Y183-K186 PolarHBondContact O-N 3.33Å; K186-G202 WeakPolarHBondContact O-CA 3.43Å; K186-E606 HydrophobicContact CD-CB 4.5Å; K186-E606 WeakPolarHBondContact CD-OE2 3.24Å; K186-E606 VanDerWaalsContact CE-OE2 3.25Å; K186-E606 WeakPolarHBondContact CE-OE2 3.32Å; K186-E606 IonicContact NZ-OE2 3.84Å; K186-E606 PolarHBondContact NZ-OE2 3.19Å; K186-D610 IonicContact NZ-OD1 3.82Å; K186-D610 PolarHBondContact NZ-OD1 2.96Å; K186-D610 IonicContact NZ-OD2 3.72Å; K186-D610 PolarHBondContact NZ-OD2 2.97Å; K186-L623 HydrophobicContact CB-CD1 4.29Å; K186-L623 HydrophobicContact CD-CD1 4.1Å
187	A	98.7	Very high	97.3	Very high	2 Å²	2	31.8 Å²	31.8	2%	0.017	17%	0.169	C	C	.	.	H	α-helix	trans	-74.1	-30.1	-178.4	0	0	0	0	0	113.7	Y183 R185 G202 L204 Y261 I602 E606	Y183-A187 WeakPolarHBondContact O-CB 3.29Å; Y183-A187 PolarHBondContact O-N 3.01Å; R185-A187 PolarHBondContact O-N 3.46Å; A187-G202 CarbonylContact O-C 3.34Å; A187-L204 VanDerWaalsContact O-CB 3.26Å; A187-L204 WeakPolarHBondContact O-CB 3.37Å; A187-L204 PolarHBondContact O-N 3.1Å; A187-Y261 WeakPolarHBondContact CA-OH 3.44Å; A187-Y261 WeakPolarHBondContact CB-OH 3.47Å; A187-Y261 PolarHBondContact O-OH 2.79Å; A187-I602 HydrophobicContact CB-CG2 3.76Å; A187-E606 HydrophobicContact CB-CG 4.13Å
188	Q	98.7	Very high	97.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137.4	-163.4	-171.1	-174	47.9	0	0	112.8	Y156 F184 R185 H190 G199 S200 G202 L204 V206	Y156-Q188 VanDerWaalsContact CE1-NE2 3.29Å; F184-Q188 WeakPolarHBondContact O-CB 3.44Å; F184-Q188 PolarHBondContact O-N 3.24Å; R185-Q188 PolarHBondContact O-N 3.5Å; R185-Q188 VanDerWaalsContact O-N 3.16Å; Q188-H190 HydrophobicContact CG-CB 4.25Å; Q188-G199 CarbonylContact O-C 3.57Å; Q188-G199 VanDerWaalsContact O-CA 3.22Å; Q188-G199 WeakPolarHBondContact O-CA 3.48Å; Q188-S200 PolarHBondContact O-N 2.93Å; Q188-G202 WeakPolarHBondContact O-CA 3.31Å; Q188-G202 PolarHBondContact O-N 3Å; Q188-L204 CarbonylContact C-O 3.57Å; Q188-L204 WeakPolarHBondContact CA-O 3.4Å; Q188-V206 HydrophobicContact CG-CB 4.06Å; Q188-V206 HydrophobicContact CG-CG2 3.81Å
189	T	98.6	Very high	97.2	Very high	33 Å²	33	31.6 Å²	31.6	20%	0.202	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	108.6	151.1	-69.9	0	0	0	0	107.6	N201 G202 L204 Y205 V206	T189-N201 VanDerWaalsContact OG1-C 3.22Å; T189-N201 VanDerWaalsContact OG1-CA 3.31Å; T189-N201 WeakPolarHBondContact OG1-CA 3.34Å; T189-N201 PolarHBondContact OG1-N 3.09Å; T189-G202 WeakPolarHBondContact CB-O 3.24Å; T189-G202 PolarHBondContact N-O 3.06Å; T189-G202 PolarHBondContact OG1-N 3.32Å; T189-G202 PolarHBondContact OG1-O 2.81Å; T189-L204 PolarHBondContact N-O 2.59Å; T189-Y205 HydrophobicContact CG2-CD2 3.94Å; T189-Y205 HydrophobicContact CG2-CE2 4.24Å; T189-Y205 WeakPolarHBondContact O-CA 3.45Å; T189-V206 PolarHBondContact O-N 3.17Å
190	H	98.1	Very high	97.1	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.019	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	138.8	176.6	-165.4	-86.1	0	0	0	111	Q188 L192 N193 R198 G199 V206 D246	Q188-H190 HydrophobicContact CG-CB 4.25Å; H190-L192 VanDerWaalsContact C-N 3.28Å; H190-L192 WeakPolarHBondContact ND1-CB 3.23Å; H190-L192 PolarHBondContact ND1-N 3.29Å; H190-L192 PolarHBondContact O-N 3.37Å; H190-N193 PolarHBondContact O-N 3.32Å; H190-N193 VanDerWaalsContact O-N 3.14Å; H190-R198 HydrophobicContact CB-CB 4.15Å; H190-R198 HydrophobicContact CB-CG 4.44Å; H190-G199 PolarHBondContact N-O 2.76Å; H190-V206 WeakPolarHBondContact CA-O 3.38Å; H190-D246 IonicContact CD2-OD2 2.76Å; H190-D246 IonicContact NE2-OD1 3.35Å; H190-D246 PolarHBondContact NE2-OD1 3.11Å; H190-D246 IonicContact NE2-OD2 3.83Å; H190-D246 PolarHBondContact NE2-OD2 3.18Å
191	E	96.4	Very high	97	Very high	37 Å²	37	39.8 Å²	39.8	17%	0.173	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-27.7	-176.8	73	176.6	-170.7	0	0	114.7	N193 Y205 V206 S207 R208 K210	E191-N193 PolarHBondContact O-N 3Å; E191-Y205 HydrophobicContact CB-CE1 4.31Å; E191-Y205 VanDerWaalsContact CB-OH 3.27Å; E191-Y205 WeakPolarHBondContact CB-OH 3.22Å; E191-V206 PolarHBondContact N-O 3.16Å; E191-S207 VanDerWaalsContact CD-CB 3.5Å; E191-S207 WeakPolarHBondContact OE2-CA 3.47Å; E191-S207 WeakPolarHBondContact OE2-CB 3.29Å; E191-R208 VanDerWaalsContact CD-N 3.26Å; E191-R208 WeakPolarHBondContact OE1-CA 3.21Å; E191-R208 VanDerWaalsContact OE1-CB 3.28Å; E191-R208 WeakPolarHBondContact OE1-CB 3.48Å; E191-R208 PolarHBondContact OE1-N 3.44Å; E191-K210 WeakPolarHBondContact OE1-CE 3.37Å; E191-K210 IonicContact OE1-NZ 3.95Å; E191-K210 PolarHBondContact OE1-NZ 3.23Å; E191-K210 WeakPolarHBondContact OE2-CE 3.47Å; E191-K210 IonicContact OE2-NZ 3.96Å; E191-K210 PolarHBondContact OE2-NZ 2.87Å
192	L	94.8	Very high	97	Very high	86 Å²	86	40 Å²	40	45%	0.45	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	22.7	175.7	-56	179.7	0	0	0	112.6	H190 R208	H190-L192 VanDerWaalsContact C-N 3.28Å; H190-L192 WeakPolarHBondContact ND1-CB 3.23Å; H190-L192 PolarHBondContact ND1-N 3.29Å; H190-L192 PolarHBondContact O-N 3.37Å; L192-R208 HydrophobicContact CD1-CB 4.34Å
193	N	94.5	Very high	97	Very high	120 Å²	120	41.5 Å²	41.5	64%	0.642	23%	0.227	S	C	*	.			trans	66.7	172.3	-172.2	-52.2	-59.4	0	0	0	114.5	H190 E191	H190-N193 PolarHBondContact O-N 3.32Å; H190-N193 VanDerWaalsContact O-N 3.14Å; E191-N193 PolarHBondContact O-N 3Å
194	G	94.7	Very high	97	Very high	31 Å²	31	41.5 Å²	41.5	32%	0.32	23%	0.227	S	C	.	.			trans	-83.4	156.6	175.9	0	0	0	0	0	112.5	R198	G194-R198 WeakPolarHBondContact CA-O 3.47Å
195	N	95	Very high	97	Very high	77 Å²	77	43.9 Å²	43.9	41%	0.412	24%	0.236	S	C	.	.			trans	-149.8	-160.8	174.2	65.2	24.3	0	0	0	109	Y197 R198	N195-Y197 PolarHBondContact O-N 3.22Å; N195-Y197 VanDerWaalsContact O-N 3.14Å; N195-Y197 WeakPolarHBondContact OD1-CA 3.39Å; N195-Y197 PolarHBondContact OD1-N 3.36Å; N195-R198 PolarHBondContact N-O 3.03Å; N195-R198 PolarHBondContact OD1-N 3.35Å
196	Q	95	Very high	97.1	Very high	83 Å²	83	40.6 Å²	40.6	39%	0.388	22%	0.224	S	C	.	.	S	Bend	trans	-53.7	-33.6	177	-173.9	175.3	6.5	0	0	113	R185 N628	R185-Q196 WeakPolarHBondContact CD-O 3.32Å; R185-Q196 PolarHBondContact NH1-O 3.34Å; Q196-N628 PolarHBondContact NE2-O 2.79Å
197	Y	96.1	Very high	97	Very high	14 Å²	14	39 Å²	39	6%	0.055	22%	0.218	C	C	.	.	S	Bend	trans	-106.7	-30.8	-178.1	-52.2	-87.7	0	0	0	113.5	R158 L181 R185 N195 Y237 S630	R158-Y197 VanDerWaalsContact CZ-O 3.24Å; R158-Y197 PolarHBondContact NH1-O 2.87Å; R158-Y197 PolarHBondContact NH2-O 2.97Å; L181-Y197 HydrophobicContact CD1-CD1 4.44Å; L181-Y197 HydrophobicContact CD2-CD1 4.16Å; R185-Y197 WeakPolarHBondContact CG-O 3.26Å; N195-Y197 PolarHBondContact O-N 3.22Å; N195-Y197 VanDerWaalsContact O-N 3.14Å; N195-Y197 WeakPolarHBondContact OD1-CA 3.39Å; N195-Y197 PolarHBondContact OD1-N 3.36Å; Y197-Y237 WeakPolarHBondContact OH-CD2 3.33Å; Y197-S630 PolarHBondContact OH-O 2.86Å
198	R	95.9	Very high	96.8	Very high	15 Å²	15	40.1 Å²	40.1	6%	0.057	22%	0.222	C	C	.	.			trans	-94.5	139.3	-173.3	-65.6	179.1	-172.7	161.2	6.5	112.4	H190 G194 N195 D232 D233	H190-R198 HydrophobicContact CB-CB 4.15Å; H190-R198 HydrophobicContact CB-CG 4.44Å; G194-R198 WeakPolarHBondContact CA-O 3.47Å; N195-R198 PolarHBondContact N-O 3.03Å; N195-R198 PolarHBondContact OD1-N 3.35Å; R198-D232 IonicContact NH2-OD2 3.24Å; R198-D233 IonicContact CZ-OD2 2.77Å; R198-D233 IonicContact NE-OD2 3.36Å; R198-D233 PolarHBondContact NE-OD2 3.33Å; R198-D233 IonicContact NH2-OD2 3.23Å; R198-D233 PolarHBondContact NH2-OD2 3.43Å
199	G	97.7	Very high	96.3	Very high	4 Å²	4	40.7 Å²	40.7	4%	0.041	23%	0.227	C	C	.	.			trans	-81.5	153.6	169.5	0	0	0	0	0	112.3	R185 Q188 H190	R185-G199 VanDerWaalsContact O-CA 3.28Å; R185-G199 WeakPolarHBondContact O-CA 3.34Å; Q188-G199 CarbonylContact O-C 3.57Å; Q188-G199 VanDerWaalsContact O-CA 3.22Å; Q188-G199 WeakPolarHBondContact O-CA 3.48Å; H190-G199 PolarHBondContact N-O 2.76Å
200	S	97	Very high	95.5	Very high	71 Å²	71	45.2 Å²	45.2	50%	0.497	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-120	-10.8	-179.2	54.8	0	0	0	0	114.7	Q188	Q188-S200 PolarHBondContact O-N 2.93Å
201	N	96.4	Very high	94.7	Very high	136 Å²	136	47.2 Å²	47.2	73%	0.727	26%	0.256	S	S	*	.	S	Bend	trans	-142.6	10.2	-169.8	65.5	-4.6	0	0	0	114.1	T189	T189-N201 VanDerWaalsContact OG1-C 3.22Å; T189-N201 VanDerWaalsContact OG1-CA 3.31Å; T189-N201 WeakPolarHBondContact OG1-CA 3.34Å; T189-N201 PolarHBondContact OG1-N 3.09Å
202	G	98.2	Very high	94.3	Very high	6 Å²	6	52 Å²	52	6%	0.062	28%	0.283	C	S	.	.			trans	-76.6	160.7	177.6	0	0	0	0	0	114	K186 A187 Q188 T189 L204	K186-G202 WeakPolarHBondContact O-CA 3.43Å; A187-G202 CarbonylContact O-C 3.34Å; Q188-G202 WeakPolarHBondContact O-CA 3.31Å; Q188-G202 PolarHBondContact O-N 3Å; T189-G202 WeakPolarHBondContact CB-O 3.24Å; T189-G202 PolarHBondContact N-O 3.06Å; T189-G202 PolarHBondContact OG1-N 3.32Å; T189-G202 PolarHBondContact OG1-O 2.81Å; G202-L204 VanDerWaalsContact C-N 3.35Å; G202-L204 PolarHBondContact O-N 3.28Å
203	P	98.3	Very high	94.3	Very high	41 Å²	41	48.6 Å²	48.6	27%	0.266	27%	0.265	S	S	.	.	S	Bend	trans	-69.8	-27.1	-173.9	-21.9	35.7	0	0	0	114.7	Y205 A260 Y261	P203-Y205 PolarHBondContact O-N 3.43Å; P203-A260 HydrophobicContact CB-CB 4.49Å; P203-A260 VanDerWaalsContact CB-O 3.3Å; P203-A260 WeakPolarHBondContact CB-O 3.4Å; P203-A260 WeakPolarHBondContact O-CB 3.47Å; P203-Y261 HydrophobicContact CB-CD1 3.97Å; P203-Y261 HydrophobicContact CB-CD2 4.4Å; P203-Y261 HydrophobicContact CB-CE1 3.68Å; P203-Y261 HydrophobicContact CB-CE2 4.12Å; P203-Y261 HydrophobicContact CB-CG 4.32Å; P203-Y261 HydrophobicContact CG-CD1 3.94Å; P203-Y261 HydrophobicContact CG-CE1 3.41Å; P203-Y261 VanDerWaalsContact CG-CE1 3.41Å
204	L	98.8	Very high	94.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	112.1	179.2	-172.3	74.5	0	0	0	110.2	Y156 A187 Q188 T189 G202 V206 T248 A260 Y261 I602	Y156-L204 HydrophobicContact CD2-CD2 4.08Å; Y156-L204 HydrophobicContact CE2-CD2 3.77Å; A187-L204 VanDerWaalsContact O-CB 3.26Å; A187-L204 WeakPolarHBondContact O-CB 3.37Å; A187-L204 PolarHBondContact O-N 3.1Å; Q188-L204 CarbonylContact C-O 3.57Å; Q188-L204 WeakPolarHBondContact CA-O 3.4Å; T189-L204 PolarHBondContact N-O 2.59Å; G202-L204 VanDerWaalsContact C-N 3.35Å; G202-L204 PolarHBondContact O-N 3.28Å; L204-V206 HydrophobicContact CD2-CG2 4.34Å; L204-V206 HydrophobicContact CG-CG2 4.42Å; L204-T248 HydrophobicContact CD1-CG2 4.14Å; L204-T248 HydrophobicContact CD2-CG2 4.02Å; L204-T248 HydrophobicContact CG-CG2 4.21Å; L204-A260 HydrophobicContact CB-CB 4.48Å; L204-A260 HydrophobicContact CD1-CB 4.08Å; L204-Y261 HydrophobicContact CB-CE2 4.21Å; L204-I602 HydrophobicContact CD1-CD1 4.21Å; L204-I602 HydrophobicContact CD2-CD1 3.77Å
205	Y	98.6	Very high	94.6	Very high	50 Å²	50	44.8 Å²	44.8	20%	0.196	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	132.2	176.1	-169.5	-87.6	0	0	0	111.1	T189 E191 P203 I249 K250	T189-Y205 HydrophobicContact CG2-CD2 3.94Å; T189-Y205 HydrophobicContact CG2-CE2 4.24Å; T189-Y205 WeakPolarHBondContact O-CA 3.45Å; E191-Y205 HydrophobicContact CB-CE1 4.31Å; E191-Y205 VanDerWaalsContact CB-OH 3.27Å; E191-Y205 WeakPolarHBondContact CB-OH 3.22Å; P203-Y205 PolarHBondContact O-N 3.43Å; Y205-I249 VanDerWaalsContact CD1-O 3.29Å; Y205-I249 WeakPolarHBondContact CD1-O 3.49Å; Y205-I249 WeakPolarHBondContact CE1-O 3.36Å; Y205-K250 HydrophobicContact CD1-CB 3.62Å; Y205-K250 HydrophobicContact CD1-CD 4.41Å; Y205-K250 HydrophobicContact CD1-CG 3.75Å; Y205-K250 HydrophobicContact CD2-CD 4.1Å; Y205-K250 HydrophobicContact CD2-CG 4.14Å; Y205-K250 HydrophobicContact CE1-CB 4.31Å; Y205-K250 HydrophobicContact CE1-CG 4.19Å; Y205-K250 HydrophobicContact CG-CB 3.86Å; Y205-K250 HydrophobicContact CG-CD 3.84Å; Y205-K250 HydrophobicContact CG-CG 3.69Å
206	V	98.4	Very high	94.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.6	-179.3	178.4	0	0	0	0	109.4	Y156 Q188 T189 H190 E191 L204 D246 M247 T248	Y156-V206 HydrophobicContact CD1-CG1 3.89Å; Y156-V206 HydrophobicContact CD1-CG2 4.25Å; Y156-V206 HydrophobicContact CD2-CG1 4.5Å; Y156-V206 HydrophobicContact CD2-CG2 3.61Å; Y156-V206 HydrophobicContact CE1-CG1 4.5Å; Y156-V206 HydrophobicContact CE1-CG2 4.42Å; Y156-V206 HydrophobicContact CE2-CG2 3.78Å; Y156-V206 HydrophobicContact CG-CG1 3.9Å; Y156-V206 HydrophobicContact CG-CG2 3.86Å; Q188-V206 HydrophobicContact CG-CB 4.06Å; Q188-V206 HydrophobicContact CG-CG2 3.81Å; T189-V206 PolarHBondContact O-N 3.17Å; H190-V206 WeakPolarHBondContact CA-O 3.38Å; E191-V206 PolarHBondContact N-O 3.16Å; L204-V206 HydrophobicContact CD2-CG2 4.34Å; L204-V206 HydrophobicContact CG-CG2 4.42Å; V206-D246 HydrophobicContact CG1-CB 3.51Å; V206-M247 CarbonylContact C-O 3.41Å; V206-M247 WeakPolarHBondContact CA-O 3.47Å; V206-T248 HydrophobicContact CG2-CG2 4.44Å
207	S	97.2	Very high	94.8	Very high	8 Å²	8	39.8 Å²	39.8	6%	0.056	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	149	178.5	54.8	0	0	0	0	111.7	E191 D246 M247 I249	E191-S207 VanDerWaalsContact CD-CB 3.5Å; E191-S207 WeakPolarHBondContact OE2-CA 3.47Å; E191-S207 WeakPolarHBondContact OE2-CB 3.29Å; S207-D246 CarbonylContact O-C 3.6Å; S207-D246 VanDerWaalsContact O-CA 3.27Å; S207-D246 WeakPolarHBondContact O-CA 3.46Å; S207-M247 PolarHBondContact N-O 3.2Å; S207-M247 PolarHBondContact O-N 3.13Å; S207-M247 PolarHBondContact OG-O 2.7Å; S207-I249 PolarHBondContact OG-O 2.81Å
208	R	94.9	Very high	94.9	Very high	26 Å²	26	39.5 Å²	39.5	10%	0.098	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	153.4	169.7	-179.7	58.5	63.6	104.5	-5.4	109.5	E191 L192 K210 D232 D246	E191-R208 VanDerWaalsContact CD-N 3.26Å; E191-R208 WeakPolarHBondContact OE1-CA 3.21Å; E191-R208 VanDerWaalsContact OE1-CB 3.28Å; E191-R208 WeakPolarHBondContact OE1-CB 3.48Å; E191-R208 PolarHBondContact OE1-N 3.44Å; L192-R208 HydrophobicContact CD1-CB 4.34Å; R208-K210 WeakPolarHBondContact O-CG 3.17Å; R208-D232 PolarHBondContact NH1-O 3.11Å; R208-D232 PolarHBondContact NH2-O 2.66Å; R208-D246 IonicContact CZ-OD1 2.69Å; R208-D246 IonicContact NE-OD1 2.73Å; R208-D246 PolarHBondContact NE-OD1 2.86Å; R208-D246 IonicContact NH2-OD1 2.78Å
209	A	87.8	Confident	95	Very high	13 Å²	13	38.8 Å²	38.8	11%	0.107	22%	0.219	C	C	.	.			trans	-47.5	140.1	164.9	0	0	0	0	0	113.9	Y244 F245 M247 E402	A209-Y244 HydrophobicContact CB-CD1 3.81Å; A209-Y244 HydrophobicContact CB-CG 4.41Å; A209-F245 PolarHBondContact N-O 2.87Å; A209-M247 HydrophobicContact CB-CE 4.47Å; A209-E402 HydrophobicContact CB-CB 3.5Å; A209-E402 VanDerWaalsContact CB-CB 3.5Å; A209-E402 HydrophobicContact CB-CG 3.63Å; A209-E402 WeakPolarHBondContact CB-O 3.41Å
210	K	81.4	Confident	95	Very high	128 Å²	128	39.1 Å²	39.1	56%	0.557	22%	0.22	S	C	*	.			trans	-144.4	3.4	-173.3	-50	-168.1	-178.2	-178.8	0	116.5	E191 R208 N212 E402	E191-K210 WeakPolarHBondContact OE1-CE 3.37Å; E191-K210 IonicContact OE1-NZ 3.95Å; E191-K210 PolarHBondContact OE1-NZ 3.23Å; E191-K210 WeakPolarHBondContact OE2-CE 3.47Å; E191-K210 IonicContact OE2-NZ 3.96Å; E191-K210 PolarHBondContact OE2-NZ 2.87Å; R208-K210 WeakPolarHBondContact O-CG 3.17Å; K210-N212 PolarHBondContact O-N 3Å; K210-E402 PolarHBondContact N-OE2 3.43Å
211	T	82.3	Confident	95.1	Very high	46 Å²	46	39.2 Å²	39.2	28%	0.282	21%	0.212	S	C	.	.			trans	-69.2	-19.3	-176.8	54.3	0	0	0	0	113.5	H213 T398 E402	T211-H213 PolarHBondContact O-N 2.84Å; T211-H213 VanDerWaalsContact O-N 3.13Å; T211-H213 PolarHBondContact OG1-N 2.86Å; T211-T398 HydrophobicContact CG2-CG2 3.71Å; T211-E402 WeakPolarHBondContact CB-OE2 3.44Å; T211-E402 WeakPolarHBondContact CG2-OE1 3.4Å; T211-E402 PolarHBondContact N-OE2 2.96Å; T211-E402 PolarHBondContact OG1-OE1 3.31Å; T211-E402 PolarHBondContact OG1-OE2 3.07Å
212	N	88.4	Confident	95.2	Very high	136 Å²	136	32.7 Å²	32.7	73%	0.727	18%	0.177	S	C	*	.			trans	52.4	28.4	-170.7	-59.7	-26.9	0	0	0	112.1	K210 P214	K210-N212 PolarHBondContact O-N 3Å; N212-P214 WeakPolarHBondContact O-CD 3.33Å
213	H	94.5	Very high	95.2	Very high	16 Å²	16	32.4 Å²	32.4	7%	0.074	17%	0.174	C	C	.	.			trans	-65.5	127.4	179.8	-169	-42.1	0	0	0	109.3	T211 L215 H216 I368	T211-H213 PolarHBondContact O-N 2.84Å; T211-H213 VanDerWaalsContact O-N 3.13Å; T211-H213 PolarHBondContact OG1-N 2.86Å; H213-L215 PolarHBondContact ND1-N 2.93Å; H213-L215 PolarHBondContact O-N 2.85Å; H213-H216 PolarHBondContact O-N 3.46Å; H213-I368 PolarHBondContact CE1-O 2.79Å; H213-I368 VanDerWaalsContact CE1-O 3.31Å; H213-I368 PolarHBondContact NE2-O 3.17Å
214	P	96.7	Very high	95.2	Very high	70 Å²	70	34.8 Å²	34.8	46%	0.455	18%	0.181	S	C	.	.	H	α-helix	trans	-55.1	-33	-174.2	-30.5	35	0	0	0	115.1	N212 H216 S217 A218 F502	N212-P214 WeakPolarHBondContact O-CD 3.33Å; P214-H216 VanDerWaalsContact C-N 3.34Å; P214-H216 PolarHBondContact O-N 3.02Å; P214-S217 PolarHBondContact O-N 3.31Å; P214-A218 WeakPolarHBondContact O-CB 3.49Å; P214-A218 PolarHBondContact O-N 2.76Å; P214-F502 HydrophobicContact CB-CZ 4.29Å
215	L	97.8	Very high	95.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.6	-31.3	178.8	-70.2	177.6	0	0	0	113.6	H213 W219 I368 T369 F422 P424 F440 L498 F502	H213-L215 PolarHBondContact ND1-N 2.93Å; H213-L215 PolarHBondContact O-N 2.85Å; L215-W219 WeakPolarHBondContact O-CB 3.48Å; L215-W219 PolarHBondContact O-N 2.74Å; L215-I368 HydrophobicContact CD1-CD1 4.32Å; L215-I368 HydrophobicContact CD1-CG1 4.33Å; L215-I368 HydrophobicContact CD2-CD1 4.27Å; L215-I368 HydrophobicContact CG-CD1 3.94Å; L215-I368 HydrophobicContact CG-CG1 4.49Å; L215-T369 HydrophobicContact CD1-CG2 4.03Å; L215-F422 HydrophobicContact CB-CE1 3.71Å; L215-F422 HydrophobicContact CB-CZ 3.85Å; L215-P424 HydrophobicContact CB-CB 4.39Å; L215-P424 HydrophobicContact CD1-CB 3.75Å; L215-F440 HydrophobicContact CD1-CB 4.28Å; L215-F440 HydrophobicContact CD1-CD1 4.16Å; L215-F440 HydrophobicContact CD2-CD1 4.1Å; L215-F440 HydrophobicContact CD2-CE1 4.3Å; L215-L498 HydrophobicContact CD2-CD2 4.46Å; L215-F502 HydrophobicContact CD2-CB 3.71Å; L215-F502 HydrophobicContact CD2-CD1 3.64Å; L215-F502 HydrophobicContact CD2-CD2 4.17Å; L215-F502 HydrophobicContact CD2-CE1 4.3Å; L215-F502 HydrophobicContact CD2-CG 3.56Å
216	H	97.5	Very high	95.2	Very high	2 Å²	2	34 Å²	34	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-67.6	-43.9	174.3	-69	-56.8	0	0	0	110.9	H213 P214 W219 I220 Y244 H400 S403 F422	H213-H216 PolarHBondContact O-N 3.46Å; P214-H216 VanDerWaalsContact C-N 3.34Å; P214-H216 PolarHBondContact O-N 3.02Å; H216-W219 PolarHBondContact O-N 3.06Å; H216-I220 WeakPolarHBondContact O-CG1 3.07Å; H216-I220 PolarHBondContact O-N 2.66Å; H216-I220 VanDerWaalsContact O-N 3.08Å; H216-Y244 HydrophobicContact CB-CE1 4.14Å; H216-H400 PolarHBondContact CE1-O 3.22Å; H216-H400 VanDerWaalsContact CE1-O 3.22Å; H216-H400 PolarHBondContact NE2-O 3Å; H216-S403 PolarHBondContact ND1-OG 3.19Å; H216-F422 AromaticContact CE1-CD1 3.88Å; H216-F422 AromaticContact ND1-CD1 3.52Å
217	S	97.1	Very high	95.1	Very high	54 Å²	54	34.3 Å²	34.3	38%	0.378	18%	0.182	S	C	.	.	H	α-helix	trans	-65	-41.4	175.5	-53.4	0	0	0	0	111.6	P214 I220 E221 Y244	P214-S217 PolarHBondContact O-N 3.31Å; S217-I220 PolarHBondContact O-N 3.28Å; S217-E221 WeakPolarHBondContact O-CB 3.43Å; S217-E221 PolarHBondContact O-N 2.84Å; S217-Y244 PolarHBondContact OG-OH 3.31Å
218	A	98.3	Very high	95.1	Very high	8 Å²	8	34.2 Å²	34.2	7%	0.066	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-39.8	176.2	0	0	0	0	0	112.2	P214 E221 A222 L498 F502	P214-A218 WeakPolarHBondContact O-CB 3.49Å; P214-A218 PolarHBondContact O-N 2.76Å; A218-E221 PolarHBondContact O-N 2.93Å; A218-A222 WeakPolarHBondContact O-CB 3.49Å; A218-A222 PolarHBondContact O-N 2.99Å; A218-L498 HydrophobicContact CB-CD2 3.73Å; A218-L498 HydrophobicContact CB-CG 4.27Å; A218-F502 HydrophobicContact CB-CD2 3.82Å; A218-F502 HydrophobicContact CB-CE2 3.69Å
219	W	98.3	Very high	95.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.3	-49	173.5	167.2	-95.3	0	0	0	112.2	L215 H216 E221 A222 G223 G404 F420 F422 V442 I492 F493 L498	L215-W219 WeakPolarHBondContact O-CB 3.48Å; L215-W219 PolarHBondContact O-N 2.74Å; H216-W219 PolarHBondContact O-N 3.06Å; W219-E221 PolarHBondContact O-N 2.87Å; W219-A222 PolarHBondContact O-N 3.06Å; W219-G223 PolarHBondContact O-N 3.37Å; W219-G404 PolarHBondContact NE1-O 3.04Å; W219-G404 VanDerWaalsContact NE1-O 3.13Å; W219-F420 HydrophobicContact CH2-CB 4.23Å; W219-F420 AromaticContact CH2-CD1 3.99Å; W219-F420 HydrophobicContact CH2-CD1 3.99Å; W219-F420 HydrophobicContact CH2-CE1 4.47Å; W219-F420 HydrophobicContact CH2-CG 4.05Å; W219-F420 HydrophobicContact CZ2-CB 3.65Å; W219-F420 HydrophobicContact CZ2-CD1 4.21Å; W219-F420 HydrophobicContact CZ2-CD2 4.18Å; W219-F420 AromaticContact CZ2-CG 3.78Å; W219-F420 HydrophobicContact CZ2-CG 3.78Å; W219-F422 HydrophobicContact CB-CB 4.44Å; W219-F422 HydrophobicContact CB-CD1 4.13Å; W219-F422 HydrophobicContact CB-CD2 3.85Å; W219-F422 HydrophobicContact CB-CE1 4.36Å; W219-F422 HydrophobicContact CB-CE2 4.08Å; W219-F422 HydrophobicContact CB-CG 3.86Å; W219-F422 HydrophobicContact CB-CZ 4.33Å; W219-F422 HydrophobicContact CD2-CB 3.84Å; W219-F422 AromaticContact CD2-CD2 3.54Å; W219-F422 HydrophobicContact CD2-CD2 3.54Å; W219-F422 HydrophobicContact CD2-CE2 4.35Å; W219-F422 AromaticContact CD2-CG 3.86Å; W219-F422 HydrophobicContact CD2-CG 3.86Å; W219-F422 HydrophobicContact CE3-CB 4.43Å; W219-F422 AromaticContact CE3-CD2 3.37Å; W219-F422 HydrophobicContact CE3-CD2 3.37Å; W219-F422 AromaticContact CE3-CE2 3.95Å; W219-F422 HydrophobicContact CE3-CE2 3.95Å; W219-F422 HydrophobicContact CE3-CG 4.18Å; W219-F422 HydrophobicContact CG-CB 3.8Å; W219-F422 HydrophobicContact CG-CD1 4.38Å; W219-F422 AromaticContact CG-CD2 3.74Å; W219-F422 HydrophobicContact CG-CD2 3.74Å; W219-F422 HydrophobicContact CG-CE2 4.43Å; W219-F422 AromaticContact CG-CG 3.69Å; W219-F422 HydrophobicContact CG-CG 3.69Å; W219-F422 HydrophobicContact CZ3-CD2 4.17Å; W219-V442 HydrophobicContact CH2-CB 4.09Å; W219-V442 HydrophobicContact CH2-CG1 4.42Å; W219-V442 HydrophobicContact CH2-CG2 3.65Å; W219-V442 HydrophobicContact CZ2-CG2 4.05Å; W219-V442 HydrophobicContact CZ3-CB 4.18Å; W219-V442 HydrophobicContact CZ3-CG2 4.21Å; W219-I492 HydrophobicContact CE3-CG2 3.88Å; W219-I492 HydrophobicContact CH2-CB 4.44Å; W219-I492 HydrophobicContact CH2-CD1 3.99Å; W219-I492 HydrophobicContact CH2-CG2 3.93Å; W219-I492 HydrophobicContact CZ2-CD1 4.41Å; W219-I492 HydrophobicContact CZ3-CB 4.26Å; W219-I492 HydrophobicContact CZ3-CG2 3.54Å; W219-F493 HydrophobicContact CE3-CD1 4.25Å; W219-F493 AromaticContact CE3-CE1 3.76Å; W219-F493 HydrophobicContact CE3-CE1 3.76Å; W219-F493 AromaticContact CZ3-CD1 3.92Å; W219-F493 HydrophobicContact CZ3-CD1 3.92Å; W219-F493 AromaticContact CZ3-CE1 3.46Å; W219-F493 HydrophobicContact CZ3-CE1 3.46Å; W219-F493 VanDerWaalsContact CZ3-CE1 3.46Å; W219-F493 HydrophobicContact CZ3-CZ 4.36Å; W219-L498 HydrophobicContact CE3-CD1 4.16Å
220	I	98.2	Very high	95.7	Very high	11 Å²	11	37.9 Å²	37.9	6%	0.056	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-44.8	179.8	-67.4	167.8	0	0	0	110.3	H216 S217 G223 K224 F230 V242 Y244	H216-I220 WeakPolarHBondContact O-CG1 3.07Å; H216-I220 PolarHBondContact O-N 2.66Å; H216-I220 VanDerWaalsContact O-N 3.08Å; S217-I220 PolarHBondContact O-N 3.28Å; I220-G223 PolarHBondContact O-N 2.86Å; I220-K224 HydrophobicContact CG2-CD 4.49Å; I220-K224 WeakPolarHBondContact O-CG 3.46Å; I220-K224 PolarHBondContact O-N 2.92Å; I220-F230 HydrophobicContact CG2-CD2 3.65Å; I220-F230 HydrophobicContact CG2-CE2 3.89Å; I220-V242 HydrophobicContact CG2-CG2 4.25Å; I220-V242 WeakPolarHBondContact O-CG2 3.24Å; I220-Y244 HydrophobicContact CD1-CD1 3.92Å; I220-Y244 HydrophobicContact CD1-CD2 3.66Å; I220-Y244 HydrophobicContact CD1-CE1 3.74Å; I220-Y244 HydrophobicContact CD1-CE2 3.46Å; I220-Y244 VanDerWaalsContact CD1-CE2 3.46Å; I220-Y244 HydrophobicContact CD1-CG 3.89Å; I220-Y244 VanDerWaalsContact CD1-CZ 3.5Å
221	E	98.5	Very high	96.5	Very high	72 Å²	72	31.9 Å²	31.9	34%	0.336	17%	0.172	S	C	.	.	H	α-helix	trans	-66.5	-38.1	178.4	-173.7	56.5	-151.5	0	0	111.9	S217 A218 W219 G223 K224 Q225 A497	S217-E221 WeakPolarHBondContact O-CB 3.43Å; S217-E221 PolarHBondContact O-N 2.84Å; A218-E221 PolarHBondContact O-N 2.93Å; W219-E221 PolarHBondContact O-N 2.87Å; E221-G223 PolarHBondContact O-N 2.92Å; E221-K224 WeakPolarHBondContact O-CB 3.44Å; E221-K224 PolarHBondContact O-N 2.84Å; E221-K224 IonicContact OE1-NZ 3.64Å; E221-K224 IonicContact OE2-NZ 2.8Å; E221-K224 PolarHBondContact OE2-NZ 3.12Å; E221-Q225 WeakPolarHBondContact O-CB 3.41Å; E221-Q225 VanDerWaalsContact O-CG 3.25Å; E221-Q225 WeakPolarHBondContact O-CG 3.21Å; E221-Q225 PolarHBondContact O-N 2.85Å; E221-Q225 PolarHBondContact OE1-NE2 2.93Å; E221-A497 HydrophobicContact CB-CB 3.89Å; E221-A497 HydrophobicContact CG-CB 3.81Å
222	A	98.6	Very high	97	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-41.7	172.9	0	0	0	0	0	111.9	A218 W219 K224 Q225 A226 I492 Q495 A497 L498	A218-A222 WeakPolarHBondContact O-CB 3.49Å; A218-A222 PolarHBondContact O-N 2.99Å; W219-A222 PolarHBondContact O-N 3.06Å; A222-K224 VanDerWaalsContact C-N 3.32Å; A222-K224 PolarHBondContact O-N 3.24Å; A222-Q225 CarbonylContact O-C 3.44Å; A222-Q225 PolarHBondContact O-N 3.2Å; A222-A226 PolarHBondContact O-N 3.29Å; A222-I492 HydrophobicContact CB-CG2 3.94Å; A222-Q495 HydrophobicContact CB-CB 4Å; A222-Q495 VanDerWaalsContact O-CG 3.31Å; A222-Q495 WeakPolarHBondContact O-CG 3.39Å; A222-A497 HydrophobicContact CB-CB 4.2Å; A222-L498 HydrophobicContact CB-CB 4.32Å; A222-L498 HydrophobicContact CB-CD1 3.68Å; A222-L498 HydrophobicContact CB-CG 3.84Å
223	G	98.3	Very high	97.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.3	-40	174.5	0	0	0	0	0	112.9	W219 I220 E221 A226 G227 Y228	W219-G223 PolarHBondContact O-N 3.37Å; I220-G223 PolarHBondContact O-N 2.86Å; E221-G223 PolarHBondContact O-N 2.92Å; G223-A226 WeakPolarHBondContact O-CB 3.4Å; G223-A226 PolarHBondContact O-N 2.97Å; G223-G227 PolarHBondContact O-N 2.82Å; G223-Y228 WeakPolarHBondContact O-CB 3.19Å; G223-Y228 WeakPolarHBondContact O-CD2 3.39Å; G223-Y228 PolarHBondContact O-N 3.38Å; G223-Y228 VanDerWaalsContact O-N 3.11Å
224	K	98.4	Very high	97.4	Very high	91 Å²	91	27.8 Å²	27.8	40%	0.396	15%	0.149	S	C	.	.	H	α-helix	trans	-64.3	-43.4	172.9	-68.8	167.4	61.8	-153.9	0	112.4	I220 E221 A222 A226 G227 Y228 F230 V242	I220-K224 HydrophobicContact CG2-CD 4.49Å; I220-K224 WeakPolarHBondContact O-CG 3.46Å; I220-K224 PolarHBondContact O-N 2.92Å; E221-K224 WeakPolarHBondContact O-CB 3.44Å; E221-K224 PolarHBondContact O-N 2.84Å; E221-K224 IonicContact OE1-NZ 3.64Å; E221-K224 IonicContact OE2-NZ 2.8Å; E221-K224 PolarHBondContact OE2-NZ 3.12Å; A222-K224 VanDerWaalsContact C-N 3.32Å; A222-K224 PolarHBondContact O-N 3.24Å; K224-A226 PolarHBondContact O-N 2.69Å; K224-G227 WeakPolarHBondContact O-CA 3.39Å; K224-G227 PolarHBondContact O-N 2.81Å; K224-Y228 WeakPolarHBondContact CA-O 3.38Å; K224-F230 HydrophobicContact CD-CB 4.19Å; K224-F230 HydrophobicContact CG-CB 4.32Å; K224-V242 HydrophobicContact CG-CG2 4.26Å
225	Q	98.5	Very high	97.5	Very high	33 Å²	33	24.7 Å²	24.7	15%	0.154	13%	0.128	C	C	.	.	H	α-helix	trans	-64.8	-26.5	176	-71.7	172.5	0.8	0	0	112.3	E221 A222 G227 Q495 P496 P645 L646	E221-Q225 WeakPolarHBondContact O-CB 3.41Å; E221-Q225 VanDerWaalsContact O-CG 3.25Å; E221-Q225 WeakPolarHBondContact O-CG 3.21Å; E221-Q225 PolarHBondContact O-N 2.85Å; E221-Q225 PolarHBondContact OE1-NE2 2.93Å; A222-Q225 CarbonylContact O-C 3.44Å; A222-Q225 PolarHBondContact O-N 3.2Å; Q225-G227 PolarHBondContact O-N 3.3Å; Q225-Q495 HydrophobicContact CB-CB 3.83Å; Q225-Q495 HydrophobicContact CB-CG 4.01Å; Q225-Q495 PolarHBondContact O-OE1 2.75Å; Q225-P496 VanDerWaalsContact OE1-CD 3.3Å; Q225-P645 CarbonylContact O-C 3.53Å; Q225-P645 VanDerWaalsContact O-CA 3.31Å; Q225-P645 WeakPolarHBondContact O-CA 3.45Å; Q225-L646 HydrophobicContact CB-CD1 3.94Å; Q225-L646 HydrophobicContact CB-CG 4.25Å; Q225-L646 HydrophobicContact CG-CD1 3.73Å; Q225-L646 PolarHBondContact O-N 2.83Å
226	A	97.9	Very high	97.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-1.6	169.6	0	0	0	0	0	112.5	A222 G223 K224 Y228 I492 Q495 R641	A222-A226 PolarHBondContact O-N 3.29Å; G223-A226 WeakPolarHBondContact O-CB 3.4Å; G223-A226 PolarHBondContact O-N 2.97Å; K224-A226 PolarHBondContact O-N 2.69Å; A226-Y228 HydrophobicContact CB-CD2 3.91Å; A226-Y228 HydrophobicContact CB-CE2 3.92Å; A226-I492 HydrophobicContact CB-CG1 4Å; A226-Q495 HydrophobicContact CB-CG 3.85Å; A226-R641 WeakPolarHBondContact O-CD 3.08Å; A226-R641 PolarHBondContact O-NH1 2.8Å
227	G	97.3	Very high	97.3	Very high	7 Å²	7	29.9 Å²	29.9	7%	0.072	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	9	177.5	0	0	0	0	0	115.1	G223 K224 Q225 G643	G223-G227 PolarHBondContact O-N 2.82Å; K224-G227 WeakPolarHBondContact O-CA 3.39Å; K224-G227 PolarHBondContact O-N 2.81Å; Q225-G227 PolarHBondContact O-N 3.3Å; G227-G643 VanDerWaalsContact O-CA 3.26Å; G227-G643 WeakPolarHBondContact O-CA 3.45Å; G227-G643 PolarHBondContact O-N 2.97Å
228	Y	97.7	Very high	97.3	Very high	5 Å²	5	28.7 Å²	28.7	2%	0.02	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-84.4	146.4	172.9	-59.8	-67.4	0	0	0	111.4	G223 K224 A226 I407 L488 I492 Q640 R641	G223-Y228 WeakPolarHBondContact O-CB 3.19Å; G223-Y228 WeakPolarHBondContact O-CD2 3.39Å; G223-Y228 PolarHBondContact O-N 3.38Å; G223-Y228 VanDerWaalsContact O-N 3.11Å; K224-Y228 WeakPolarHBondContact CA-O 3.38Å; A226-Y228 HydrophobicContact CB-CD2 3.91Å; A226-Y228 HydrophobicContact CB-CE2 3.92Å; Y228-I407 HydrophobicContact CD1-CB 4.08Å; Y228-I407 HydrophobicContact CD1-CD1 4.48Å; Y228-I407 HydrophobicContact CD1-CG2 3.48Å; Y228-I407 VanDerWaalsContact CD1-CG2 3.48Å; Y228-I407 HydrophobicContact CD2-CG2 4.38Å; Y228-I407 HydrophobicContact CE1-CB 3.82Å; Y228-I407 HydrophobicContact CE1-CD1 3.63Å; Y228-I407 HydrophobicContact CE1-CG1 4.33Å; Y228-I407 HydrophobicContact CE1-CG2 3.68Å; Y228-I407 HydrophobicContact CE2-CD1 3.98Å; Y228-I407 HydrophobicContact CG-CG2 3.86Å; Y228-I407 WeakPolarHBondContact OH-CD1 3.39Å; Y228-L488 WeakPolarHBondContact OH-CD2 3.45Å; Y228-I492 HydrophobicContact CD2-CD1 4.31Å; Y228-I492 HydrophobicContact CD2-CG1 4.46Å; Y228-I492 HydrophobicContact CE2-CD1 4Å; Y228-I492 HydrophobicContact CE2-CG1 4.09Å; Y228-Q640 PolarHBondContact OH-NE2 3.01Å; Y228-R641 HydrophobicContact CD1-CB 3.73Å; Y228-R641 HydrophobicContact CD1-CG 4.45Å; Y228-R641 HydrophobicContact CE1-CB 3.76Å; Y228-R641 HydrophobicContact CE1-CG 4.32Å; Y228-R641 PolarHBondContact OH-NH1 2.8Å; Y228-R641 VanDerWaalsContact OH-NH1 3.12Å; Y228-R641 PolarHBondContact OH-NH2 2.78Å; Y228-R641 VanDerWaalsContact OH-NH2 3.1Å
229	P	97	Very high	97.2	Very high	29 Å²	29	28.8 Å²	28.8	19%	0.188	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-68.3	154.6	176.5	30	-34.9	0	0	0	111	G241 V242 W632	P229-G241 CarbonylContact O-C 3.41Å; P229-G241 WeakPolarHBondContact O-CA 3.3Å; P229-V242 PolarHBondContact O-N 3.24Å; P229-W632 HydrophobicContact CG-CH2 4.1Å; P229-W632 HydrophobicContact CG-CZ2 4.21Å
230	F	97.5	Very high	97.2	Very high	87 Å²	87	29.2 Å²	29.2	38%	0.382	14%	0.14	S	C	.	.	B	Isolated β-bridge	trans	-79	141	163.3	174.9	-106	0	0	0	109.2	I220 K224 D232 Q238 V242	I220-F230 HydrophobicContact CG2-CD2 3.65Å; I220-F230 HydrophobicContact CG2-CE2 3.89Å; K224-F230 HydrophobicContact CD-CB 4.19Å; K224-F230 HydrophobicContact CG-CB 4.32Å; F230-D232 HydrophobicContact CE1-CB 4.14Å; F230-Q238 PolarHBondContact O-NE2 3.25Å; F230-V242 WeakPolarHBondContact CA-O 3.43Å; F230-V242 VanDerWaalsContact CD2-O 3.3Å; F230-V242 WeakPolarHBondContact CD2-O 3.41Å
231	T	96.9	Very high	97.1	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.012	14%	0.137	C	C	.	.			trans	-117.2	127.1	167.3	172.7	0	0	0	0	110.6	D233 V234 Q238 V242	T231-D233 VanDerWaalsContact C-N 3.29Å; T231-D233 VanDerWaalsContact OG1-C 3.28Å; T231-D233 PolarHBondContact OG1-N 3.46Å; T231-D233 PolarHBondContact OG1-O 2.8Å; T231-V234 HydrophobicContact CG2-CG1 3.49Å; T231-V234 VanDerWaalsContact CG2-CG1 3.49Å; T231-Q238 WeakPolarHBondContact CB-O 3.36Å; T231-Q238 PolarHBondContact OG1-O 3.4Å; T231-V242 PolarHBondContact N-O 2.67Å
232	D	94.5	Very high	97.1	Very high	99 Å²	99	25.2 Å²	25.2	53%	0.529	12%	0.121	S	C	.	.	S	Bend	trans	-72.3	-25.9	173.1	-176.2	64.9	0	0	0	112	R198 R208 F230	R198-D232 IonicContact NH2-OD2 3.24Å; R208-D232 PolarHBondContact NH1-O 3.11Å; R208-D232 PolarHBondContact NH2-O 2.66Å; F230-D232 HydrophobicContact CE1-CB 4.14Å
233	D	95.3	Very high	97.1	Very high	11 Å²	11	25.2 Å²	25.2	6%	0.059	12%	0.121	C	C	.	.			trans	-152.3	99.3	-176.9	-169.1	-7.4	0	0	0	111.9	R198 T231 N235 G236	R198-D233 IonicContact CZ-OD2 2.77Å; R198-D233 IonicContact NE-OD2 3.36Å; R198-D233 PolarHBondContact NE-OD2 3.33Å; R198-D233 IonicContact NH2-OD2 3.23Å; R198-D233 PolarHBondContact NH2-OD2 3.43Å; T231-D233 VanDerWaalsContact C-N 3.29Å; T231-D233 VanDerWaalsContact OG1-C 3.28Å; T231-D233 PolarHBondContact OG1-N 3.46Å; T231-D233 PolarHBondContact OG1-O 2.8Å; D233-N235 PolarHBondContact O-N 3.47Å; D233-N235 WeakPolarHBondContact OD1-CA 3.37Å; D233-N235 VanDerWaalsContact OD1-CB 3.26Å; D233-N235 WeakPolarHBondContact OD1-CB 3.49Å; D233-N235 PolarHBondContact OD1-N 3.25Å; D233-G236 PolarHBondContact O-N 3.41Å; D233-G236 PolarHBondContact OD1-N 3.24Å
234	V	96.3	Very high	97	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.6	174.9	-62.9	0	0	0	0	113.7	I157 T231 F245 F406	I157-V234 HydrophobicContact CD1-CB 4.48Å; I157-V234 HydrophobicContact CD1-CG2 3.54Å; T231-V234 HydrophobicContact CG2-CG1 3.49Å; T231-V234 VanDerWaalsContact CG2-CG1 3.49Å; V234-F245 HydrophobicContact CG1-CD1 4.15Å; V234-F245 HydrophobicContact CG1-CE1 3.97Å; V234-F245 HydrophobicContact CG2-CD1 3.8Å; V234-F245 HydrophobicContact CG2-CE1 4.17Å; V234-F406 HydrophobicContact CB-CD2 4.33Å; V234-F406 HydrophobicContact CB-CE2 4.08Å; V234-F406 HydrophobicContact CG1-CD2 4.25Å; V234-F406 HydrophobicContact CG1-CE2 4.29Å
235	N	96.9	Very high	97	Very high	5 Å²	5	24 Å²	24	3%	0.027	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-1.8	178.7	-63.7	-56.9	0	0	0	113.6	Y156 I157 R158 D233 D246	Y156-N235 PolarHBondContact O-ND2 3.14Å; Y156-N235 PolarHBondContact O-OD1 3.36Å; I157-N235 WeakPolarHBondContact CA-OD1 3.39Å; R158-N235 HydrophobicContact CG-CB 4.07Å; R158-N235 PolarHBondContact N-OD1 2.92Å; R158-N235 PolarHBondContact NH1-O 2.75Å; D233-N235 PolarHBondContact O-N 3.47Å; D233-N235 WeakPolarHBondContact OD1-CA 3.37Å; D233-N235 VanDerWaalsContact OD1-CB 3.26Å; D233-N235 WeakPolarHBondContact OD1-CB 3.49Å; D233-N235 PolarHBondContact OD1-N 3.25Å; N235-D246 PolarHBondContact ND2-OD2 2.94Å
236	G	95.7	Very high	96.9	Very high	5 Å²	5	22.5 Å²	22.5	5%	0.052	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-134.3	-173.3	0	0	0	0	0	112.7	D233 Q238	D233-G236 PolarHBondContact O-N 3.41Å; D233-G236 PolarHBondContact OD1-N 3.24Å; G236-Q238 VanDerWaalsContact C-N 3.28Å; G236-Q238 PolarHBondContact O-N 3.44Å
237	Y	96	Very high	96.9	Very high	107 Å²	107	22.8 Å²	22.8	42%	0.42	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-36.5	-176.3	175.1	-115.8	0	0	0	113.7	Y197 S630 Y631 W632	Y197-Y237 WeakPolarHBondContact OH-CD2 3.33Å; Y237-S630 WeakPolarHBondContact CE2-OG 3.49Å; Y237-Y631 CarbonylContact O-C 3.46Å; Y237-Y631 WeakPolarHBondContact O-CA 3.44Å; Y237-W632 HydrophobicContact CD1-CB 3.97Å; Y237-W632 HydrophobicContact CE1-CB 3.66Å; Y237-W632 AromaticContact CE1-CD1 3.79Å; Y237-W632 HydrophobicContact CE1-CG 4.15Å; Y237-W632 HydrophobicContact CE2-CB 4.4Å; Y237-W632 HydrophobicContact CG-CB 4.48Å; Y237-W632 PolarHBondContact O-N 2.89Å
238	Q	96.5	Very high	97	Very high	29 Å²	29	22.5 Å²	22.5	14%	0.136	11%	0.106	C	C	.	.			trans	-134.4	109.4	-171.1	-178.6	-178.1	-26.1	0	0	111.2	F230 T231 G236 E240 W632	F230-Q238 PolarHBondContact O-NE2 3.25Å; T231-Q238 WeakPolarHBondContact CB-O 3.36Å; T231-Q238 PolarHBondContact OG1-O 3.4Å; G236-Q238 VanDerWaalsContact C-N 3.28Å; G236-Q238 PolarHBondContact O-N 3.44Å; Q238-E240 VanDerWaalsContact CG-O 3.31Å; Q238-E240 WeakPolarHBondContact CG-O 3.33Å; Q238-E240 PolarHBondContact NE2-O 2.82Å; Q238-W632 HydrophobicContact CB-CB 3.56Å; Q238-W632 HydrophobicContact CB-CG 3.94Å; Q238-W632 HydrophobicContact CG-CB 3.68Å; Q238-W632 HydrophobicContact CG-CD2 3.72Å; Q238-W632 HydrophobicContact CG-CE3 4.05Å; Q238-W632 HydrophobicContact CG-CG 3.57Å; Q238-W632 VanDerWaalsContact OE1-CD1 3.28Å
239	Q	97	Very high	96.9	Very high	10 Å²	10	22.7 Å²	22.7	5%	0.047	11%	0.107	C	C	.	.			trans	-80.5	-41.3	171.3	-169.1	-174.6	42.1	0	0	112.2	N160 F406 S594	N160-Q239 PolarHBondContact ND2-OE1 2.99Å; Q239-F406 HydrophobicContact CG-CB 3.98Å; Q239-F406 HydrophobicContact CG-CD1 4.22Å; Q239-F406 HydrophobicContact CG-CD2 3.69Å; Q239-F406 HydrophobicContact CG-CE2 4.22Å; Q239-F406 HydrophobicContact CG-CG 3.7Å; Q239-S594 PolarHBondContact NE2-O 3.47Å
240	E	97.5	Very high	97	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.037	12%	0.116	C	C	.	.	S	Bend	trans	-64.8	133.8	-174.9	-172.6	159.3	169.6	0	0	111.8	Q238 F406 R408 P416 W632	Q238-E240 VanDerWaalsContact CG-O 3.31Å; Q238-E240 WeakPolarHBondContact CG-O 3.33Å; Q238-E240 PolarHBondContact NE2-O 2.82Å; E240-F406 CarbonylContact C-O 3.04Å; E240-F406 WeakPolarHBondContact CA-O 3.39Å; E240-R408 IonicContact OE1-CZ 3.7Å; E240-R408 IonicContact OE1-NE 3.35Å; E240-R408 PolarHBondContact OE1-NE 3.44Å; E240-R408 IonicContact OE1-NH2 3.25Å; E240-R408 IonicContact OE2-NE 2.61Å; E240-R408 PolarHBondContact OE2-NE 3.21Å; E240-P416 HydrophobicContact CB-CG 3.44Å; E240-P416 VanDerWaalsContact CB-CG 3.44Å; E240-P416 HydrophobicContact CG-CG 3.64Å; E240-P416 WeakPolarHBondContact OE2-CD 3.46Å; E240-W632 HydrophobicContact CB-CE3 4.12Å; E240-W632 HydrophobicContact CB-CH2 4.49Å; E240-W632 HydrophobicContact CB-CZ3 3.68Å; E240-W632 HydrophobicContact CG-CH2 4.42Å; E240-W632 HydrophobicContact CG-CZ3 3.95Å
241	G	97.9	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.1	-171.7	-178.4	0	0	0	0	0	113.8	P229 G405 F406	P229-G241 CarbonylContact O-C 3.41Å; P229-G241 WeakPolarHBondContact O-CA 3.3Å; G241-G405 CarbonylContact O-C 3.59Å; G241-G405 WeakPolarHBondContact O-CA 3.47Å; G241-F406 PolarHBondContact N-O 3.24Å; G241-F406 PolarHBondContact O-N 3.46Å
242	V	98.3	Very high	96.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	144.1	175.4	-69	0	0	0	0	110.8	I220 K224 P229 F230 T231 G404	I220-V242 HydrophobicContact CG2-CG2 4.25Å; I220-V242 WeakPolarHBondContact O-CG2 3.24Å; K224-V242 HydrophobicContact CG-CG2 4.26Å; P229-V242 PolarHBondContact O-N 3.24Å; F230-V242 WeakPolarHBondContact CA-O 3.43Å; F230-V242 VanDerWaalsContact CD2-O 3.3Å; F230-V242 WeakPolarHBondContact CD2-O 3.41Å; T231-V242 PolarHBondContact N-O 2.67Å; V242-G404 WeakPolarHBondContact CA-O 3.24Å
243	G	97.4	Very high	96.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	-177.7	-175.7	0	0	0	0	0	113.8	S403 G404	G243-S403 WeakPolarHBondContact O-CA 3.49Å; G243-G404 PolarHBondContact N-O 3.26Å; G243-G404 PolarHBondContact O-N 3.08Å
244	Y	97	Very high	97	Very high	65 Å²	65	23.5 Å²	23.5	26%	0.255	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	144.7	172.7	-69.6	-77	0	0	0	110.6	A209 H216 S217 I220 E402	A209-Y244 HydrophobicContact CB-CD1 3.81Å; A209-Y244 HydrophobicContact CB-CG 4.41Å; H216-Y244 HydrophobicContact CB-CE1 4.14Å; S217-Y244 PolarHBondContact OG-OH 3.31Å; I220-Y244 HydrophobicContact CD1-CD1 3.92Å; I220-Y244 HydrophobicContact CD1-CD2 3.66Å; I220-Y244 HydrophobicContact CD1-CE1 3.74Å; I220-Y244 HydrophobicContact CD1-CE2 3.46Å; I220-Y244 VanDerWaalsContact CD1-CE2 3.46Å; I220-Y244 HydrophobicContact CD1-CG 3.89Å; I220-Y244 VanDerWaalsContact CD1-CZ 3.5Å; Y244-E402 CarbonylContact C-O 3.17Å; Y244-E402 WeakPolarHBondContact CA-O 3.36Å; Y244-E402 WeakPolarHBondContact CD1-O 3.19Å
245	F	97.5	Very high	97	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-95.1	150.7	174.1	-68	-14.3	0	0	0	111.3	V155 I157 A209 V234 E402 G404 F406 F420 H421	V155-F245 HydrophobicContact CG1-CB 4Å; V155-F245 HydrophobicContact CG1-CD2 3.64Å; V155-F245 HydrophobicContact CG1-CE2 4.38Å; V155-F245 HydrophobicContact CG1-CG 4.08Å; I157-F245 HydrophobicContact CD1-CD1 4.08Å; I157-F245 HydrophobicContact CD1-CE1 4.23Å; I157-F245 HydrophobicContact CD1-CG 4.3Å; A209-F245 PolarHBondContact N-O 2.87Å; V234-F245 HydrophobicContact CG1-CD1 4.15Å; V234-F245 HydrophobicContact CG1-CE1 3.97Å; V234-F245 HydrophobicContact CG2-CD1 3.8Å; V234-F245 HydrophobicContact CG2-CE1 4.17Å; F245-E402 PolarHBondContact N-O 3.36Å; F245-G404 VanDerWaalsContact CZ-CA 3.47Å; F245-F406 AromaticContact CE1-CE2 3.94Å; F245-F406 HydrophobicContact CE1-CE2 3.94Å; F245-F406 HydrophobicContact CZ-CE2 4.1Å; F245-F420 WeakPolarHBondContact CE2-O 3.42Å; F245-F420 WeakPolarHBondContact CZ-O 3.49Å; F245-H421 AromaticContact CD2-CD2 3.91Å; F245-H421 HydrophobicContact CE2-CB 4.47Å; F245-H421 AromaticContact CE2-CD2 3.48Å; F245-H421 VanDerWaalsContact CE2-CD2 3.48Å; F245-H421 WeakPolarHBondContact CE2-CD2 3.18Å; F245-H421 AromaticContact CE2-CG 3.97Å
246	D	97.2	Very high	97.1	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	159	167.8	-62	-26.6	0	0	0	110.1	Y156 H190 V206 S207 R208 N235	Y156-D246 HydrophobicContact CD1-CB 4.32Å; Y156-D246 PolarHBondContact N-O 3.36Å; H190-D246 IonicContact CD2-OD2 2.76Å; H190-D246 IonicContact NE2-OD1 3.35Å; H190-D246 PolarHBondContact NE2-OD1 3.11Å; H190-D246 IonicContact NE2-OD2 3.83Å; H190-D246 PolarHBondContact NE2-OD2 3.18Å; V206-D246 HydrophobicContact CG1-CB 3.51Å; S207-D246 CarbonylContact O-C 3.6Å; S207-D246 VanDerWaalsContact O-CA 3.27Å; S207-D246 WeakPolarHBondContact O-CA 3.46Å; R208-D246 IonicContact CZ-OD1 2.69Å; R208-D246 IonicContact NE-OD1 2.73Å; R208-D246 PolarHBondContact NE-OD1 2.86Å; R208-D246 IonicContact NH2-OD1 2.78Å; N235-D246 PolarHBondContact ND2-OD2 2.94Å
247	M	97.6	Very high	97.3	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.03	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	146.9	-176.6	-64.1	176.3	-73.3	0	0	111.5	M154 V206 S207 A209 I249 E402	M154-M247 CarbonylContact O-C 3.5Å; M154-M247 WeakPolarHBondContact O-CA 3.45Å; V206-M247 CarbonylContact C-O 3.41Å; V206-M247 WeakPolarHBondContact CA-O 3.47Å; S207-M247 PolarHBondContact N-O 3.2Å; S207-M247 PolarHBondContact O-N 3.13Å; S207-M247 PolarHBondContact OG-O 2.7Å; A209-M247 HydrophobicContact CB-CE 4.47Å; M247-I249 HydrophobicContact CB-CD1 4.11Å; M247-I249 HydrophobicContact CB-CG1 4.16Å; M247-I249 HydrophobicContact CE-CD1 4.47Å; M247-I249 PolarHBondContact O-N 2.75Å; M247-I249 HydrophobicContact SD-CD1 3.91Å; M247-E402 HydrophobicContact CE-CG 3.99Å; M247-E402 HydrophobicContact SD-CG 4.19Å
248	T	98.2	Very high	97.4	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	9%	0.089	C	C	.	.			trans	-82.4	67.4	171.1	58.9	0	0	0	0	110.7	M154 Y156 L204 V206 C255	M154-T248 PolarHBondContact O-N 3.29Å; M154-T248 PolarHBondContact O-OG1 2.91Å; Y156-T248 HydrophobicContact CD2-CG2 3.89Å; L204-T248 HydrophobicContact CD1-CG2 4.14Å; L204-T248 HydrophobicContact CD2-CG2 4.02Å; L204-T248 HydrophobicContact CG-CG2 4.21Å; V206-T248 HydrophobicContact CG2-CG2 4.44Å; T248-C255 WeakPolarHBondContact CB-O 3.36Å; T248-C255 WeakPolarHBondContact O-CB 3.26Å; T248-C255 PolarHBondContact O-N 2.58Å
249	I	97.6	Very high	97.5	Very high	10 Å²	10	20.8 Å²	20.8	5%	0.051	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.4	179.1	-65.2	174.2	0	0	0	109.6	P108 M154 Y205 S207 M247 E253	P108-I249 HydrophobicContact CB-CD1 3.89Å; P108-I249 HydrophobicContact CG-CD1 3.9Å; P108-I249 HydrophobicContact CG-CG1 4.15Å; P108-I249 HydrophobicContact CG-CG2 4.32Å; M154-I249 HydrophobicContact CB-CG1 4.28Å; M154-I249 HydrophobicContact CG-CG1 4.42Å; M154-I249 HydrophobicContact SD-CD1 4.05Å; M154-I249 HydrophobicContact SD-CG1 3.6Å; Y205-I249 VanDerWaalsContact CD1-O 3.29Å; Y205-I249 WeakPolarHBondContact CD1-O 3.49Å; Y205-I249 WeakPolarHBondContact CE1-O 3.36Å; S207-I249 PolarHBondContact OG-O 2.81Å; M247-I249 HydrophobicContact CB-CD1 4.11Å; M247-I249 HydrophobicContact CB-CG1 4.16Å; M247-I249 HydrophobicContact CE-CD1 4.47Å; M247-I249 PolarHBondContact O-N 2.75Å; M247-I249 HydrophobicContact SD-CD1 3.91Å; I249-E253 CarbonylContact C-O 3.05Å; I249-E253 WeakPolarHBondContact CA-O 3.26Å
250	K	97.1	Very high	97.5	Very high	86 Å²	86	20.7 Å²	20.7	37%	0.374	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.3	176.8	-170.5	178.2	-173.2	173.5	0	110	Y205 G252 E253 C255	Y205-K250 HydrophobicContact CD1-CB 3.62Å; Y205-K250 HydrophobicContact CD1-CD 4.41Å; Y205-K250 HydrophobicContact CD1-CG 3.75Å; Y205-K250 HydrophobicContact CD2-CD 4.1Å; Y205-K250 HydrophobicContact CD2-CG 4.14Å; Y205-K250 HydrophobicContact CE1-CB 4.31Å; Y205-K250 HydrophobicContact CE1-CG 4.19Å; Y205-K250 HydrophobicContact CG-CB 3.86Å; Y205-K250 HydrophobicContact CG-CD 3.84Å; Y205-K250 HydrophobicContact CG-CG 3.69Å; K250-G252 PolarHBondContact O-N 3.17Å; K250-E253 PolarHBondContact N-O 2.95Å; K250-E253 PolarHBondContact O-N 2.73Å; K250-E253 VanDerWaalsContact O-N 3.07Å; K250-C255 HydrophobicContact CB-CB 4.29Å
251	N	95.3	Very high	97.6	Very high	120 Å²	120	20.3 Å²	20.3	64%	0.642	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	42.1	178.9	-58.1	-20.5	0	0	0	113	E253 R392	N251-E253 PolarHBondContact O-N 2.86Å; N251-R392 WeakPolarHBondContact O-CB 3.22Å
252	G	95.4	Very high	97.6	Very high	11 Å²	11	20.3 Å²	20.3	11%	0.113	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	8.3	179.8	0	0	0	0	0	115.7	P108 K250 W388 R392	P108-G252 VanDerWaalsContact CD-O 3.28Å; P108-G252 WeakPolarHBondContact CD-O 3.02Å; K250-G252 PolarHBondContact O-N 3.17Å; G252-W388 PolarHBondContact O-NE1 2.8Å; G252-R392 WeakPolarHBondContact CA-O 3.28Å
253	E	96.5	Very high	97.6	Very high	23 Å²	23	21.9 Å²	21.9	11%	0.107	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	149.7	173.9	-60.2	-172.6	152.9	0	0	110.5	K106 I249 K250 N251 C255 R259 W388 R392	K106-E253 WeakPolarHBondContact O-CA 3.37Å; I249-E253 CarbonylContact C-O 3.05Å; I249-E253 WeakPolarHBondContact CA-O 3.26Å; K250-E253 PolarHBondContact N-O 2.95Å; K250-E253 PolarHBondContact O-N 2.73Å; K250-E253 VanDerWaalsContact O-N 3.07Å; N251-E253 PolarHBondContact O-N 2.86Å; E253-C255 PolarHBondContact O-N 3.3Å; E253-R259 IonicContact OE2-CZ 3.8Å; E253-R259 VanDerWaalsContact OE2-CZ 3.24Å; E253-R259 IonicContact OE2-NH1 2.67Å; E253-R259 PolarHBondContact OE2-NH1 3.06Å; E253-R259 IonicContact OE2-NH2 3.54Å; E253-R259 PolarHBondContact OE2-NH2 3.16Å; E253-W388 HydrophobicContact CG-CZ2 4.17Å; E253-R392 IonicContact OE1-CZ 3.46Å; E253-R392 IonicContact OE1-NE 2.87Å; E253-R392 PolarHBondContact OE1-NE 2.72Å; E253-R392 IonicContact OE1-NH2 3.7Å
254	R	97.4	Very high	97.6	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.015	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	133.4	169.3	177	-175.6	-65.6	-85.9	0.3	111.2	I105 K106 S149 S150 N152 M154 R259	I105-R254 WeakPolarHBondContact O-CD 3.48Å; I105-R254 PolarHBondContact O-NE 2.85Å; K106-R254 PolarHBondContact O-N 3Å; S149-R254 WeakPolarHBondContact O-CD 3.3Å; S149-R254 PolarHBondContact O-NH1 3.49Å; S149-R254 VanDerWaalsContact O-NH1 3.08Å; S150-R254 PolarHBondContact O-NE 3.04Å; N152-R254 PolarHBondContact O-NH1 2.85Å; N152-R254 PolarHBondContact O-NH2 3.24Å; N152-R254 PolarHBondContact OD1-NH1 3.17Å; M154-R254 VanDerWaalsContact CE-CZ 3.47Å; M154-R254 HydrophobicContact CG-CG 4.04Å; M154-R254 VanDerWaalsContact CG-NH1 3.34Å; M154-R254 HydrophobicContact SD-CB 3.6Å; M154-R254 HydrophobicContact SD-CG 3.7Å; R254-R259 WeakPolarHBondContact O-CD 3.33Å
255	C	97.9	Very high	97.7	Very high	4 Å²	4	21.4 Å²	21.4	3%	0.027	11%	0.109	C	C	.	.			trans	-104.5	79.1	169.1	-165.7	0	0	0	0	109.7	T248 K250 E253	T248-C255 WeakPolarHBondContact CB-O 3.36Å; T248-C255 WeakPolarHBondContact O-CB 3.26Å; T248-C255 PolarHBondContact O-N 2.58Å; K250-C255 HydrophobicContact CB-CB 4.29Å; E253-C255 PolarHBondContact O-N 3.3Å
256	S	98.4	Very high	97.7	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.028	13%	0.13	C	C	.	.			trans	-71	165.7	173.3	59.9	0	0	0	0	111.4	S258 R259 A260	S256-S258 VanDerWaalsContact C-N 3.28Å; S256-S258 PolarHBondContact O-N 2.81Å; S256-S258 PolarHBondContact OG-OG 2.88Å; S256-R259 PolarHBondContact O-N 3.25Å; S256-R259 PolarHBondContact OG-N 3.03Å; S256-A260 WeakPolarHBondContact O-CB 2.9Å; S256-A260 PolarHBondContact O-N 3.26Å
257	A	98.8	Very high	97.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-33.2	174.1	0	0	0	0	0	112.4	C69 S149 A260 Y261	C69-A257 HydrophobicContact CB-CB 3.86Å; S149-A257 WeakPolarHBondContact OG-CB 3.44Å; S149-A257 PolarHBondContact OG-N 3.32Å; A257-A260 PolarHBondContact O-N 3.05Å; A257-Y261 WeakPolarHBondContact O-CB 3.48Å; A257-Y261 PolarHBondContact O-N 3.22Å
258	S	98.5	Very high	97.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-61.4	-46.6	173.4	49	0	0	0	0	111.5	D97 L145 S256 L262 H263	D97-S258 WeakPolarHBondContact OD2-CB 3.47Å; D97-S258 PolarHBondContact OD2-OG 3.27Å; L145-S258 PolarHBondContact O-OG 3.16Å; S256-S258 VanDerWaalsContact C-N 3.28Å; S256-S258 PolarHBondContact O-N 2.81Å; S256-S258 PolarHBondContact OG-OG 2.88Å; S258-L262 CarbonylContact O-C 3.47Å; S258-L262 WeakPolarHBondContact O-CA 3.16Å; S258-L262 WeakPolarHBondContact O-CB 3.2Å; S258-L262 PolarHBondContact O-N 2.83Å; S258-H263 PolarHBondContact O-N 3.38Å
259	R	97.9	Very high	97.6	Very high	83 Å²	83	38.5 Å²	38.5	31%	0.313	20%	0.198	S	C	.	.	I	π-helix	trans	-68.1	-38.4	178.7	-176.2	178.7	169.8	113.2	-18.3	112.4	E253 R254 S256 P264	E253-R259 IonicContact OE2-CZ 3.8Å; E253-R259 VanDerWaalsContact OE2-CZ 3.24Å; E253-R259 IonicContact OE2-NH1 2.67Å; E253-R259 PolarHBondContact OE2-NH1 3.06Å; E253-R259 IonicContact OE2-NH2 3.54Å; E253-R259 PolarHBondContact OE2-NH2 3.16Å; R254-R259 WeakPolarHBondContact O-CD 3.33Å; S256-R259 PolarHBondContact O-N 3.25Å; S256-R259 PolarHBondContact OG-N 3.03Å; R259-P264 WeakPolarHBondContact O-CD 3.36Å
260	A	98.6	Very high	97.5	Very high	9 Å²	9	43.7 Å²	43.7	7%	0.074	24%	0.235	C	C	.	.	I	π-helix	trans	-74	-40.9	-178.2	0	0	0	0	0	112.8	P203 L204 S256 A257	P203-A260 HydrophobicContact CB-CB 4.49Å; P203-A260 VanDerWaalsContact CB-O 3.3Å; P203-A260 WeakPolarHBondContact CB-O 3.4Å; P203-A260 WeakPolarHBondContact O-CB 3.47Å; L204-A260 HydrophobicContact CB-CB 4.48Å; L204-A260 HydrophobicContact CD1-CB 4.08Å; S256-A260 WeakPolarHBondContact O-CB 2.9Å; S256-A260 PolarHBondContact O-N 3.26Å; A257-A260 PolarHBondContact O-N 3.05Å
261	Y	98.8	Very high	97.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-118.5	-53.1	-170.2	-67.8	-90.7	0	0	0	113.3	C69 V70 N73 A187 P203 L204 A257 P264 A265 I602 E606	C69-Y261 WeakPolarHBondContact O-CB 3.45Å; V70-Y261 HydrophobicContact CB-CD1 4.35Å; V70-Y261 HydrophobicContact CG1-CD1 4.43Å; V70-Y261 HydrophobicContact CG1-CE1 4.27Å; V70-Y261 HydrophobicContact CG2-CD1 4.03Å; V70-Y261 HydrophobicContact CG2-CD2 3.79Å; V70-Y261 HydrophobicContact CG2-CE1 4Å; V70-Y261 HydrophobicContact CG2-CE2 3.79Å; V70-Y261 HydrophobicContact CG2-CG 3.93Å; N73-Y261 HydrophobicContact CB-CD1 4.07Å; N73-Y261 HydrophobicContact CB-CG 4.47Å; N73-Y261 PolarHBondContact ND2-O 3.37Å; A187-Y261 WeakPolarHBondContact CA-OH 3.44Å; A187-Y261 WeakPolarHBondContact CB-OH 3.47Å; A187-Y261 PolarHBondContact O-OH 2.79Å; P203-Y261 HydrophobicContact CB-CD1 3.97Å; P203-Y261 HydrophobicContact CB-CD2 4.4Å; P203-Y261 HydrophobicContact CB-CE1 3.68Å; P203-Y261 HydrophobicContact CB-CE2 4.12Å; P203-Y261 HydrophobicContact CB-CG 4.32Å; P203-Y261 HydrophobicContact CG-CD1 3.94Å; P203-Y261 HydrophobicContact CG-CE1 3.41Å; P203-Y261 VanDerWaalsContact CG-CE1 3.41Å; L204-Y261 HydrophobicContact CB-CE2 4.21Å; A257-Y261 WeakPolarHBondContact O-CB 3.48Å; A257-Y261 PolarHBondContact O-N 3.22Å; Y261-P264 WeakPolarHBondContact O-CD 3.42Å; Y261-A265 PolarHBondContact O-N 3.21Å; Y261-I602 HydrophobicContact CE2-CG2 4.18Å; Y261-E606 WeakPolarHBondContact CE1-OE1 3.38Å; Y261-E606 PolarHBondContact OH-OE1 3.23Å; Y261-E606 VanDerWaalsContact OH-OE1 3.11Å
262	L	98.8	Very high	97.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.205	C	C	.	.	I	π-helix	trans	-71.9	-49.3	-168.8	-170.6	67	0	0	0	112.8	A64 C69 A72 L145 S258 A265 M266 L272 V274	A64-L262 HydrophobicContact CB-CD2 4.25Å; C69-L262 HydrophobicContact CB-CB 4.09Å; A72-L262 HydrophobicContact CB-CD1 3.58Å; L145-L262 HydrophobicContact CB-CD2 4.45Å; L145-L262 HydrophobicContact CD1-CD2 4.29Å; L145-L262 HydrophobicContact CD2-CD2 3.78Å; L145-L262 HydrophobicContact CG-CD2 4.4Å; S258-L262 CarbonylContact O-C 3.47Å; S258-L262 WeakPolarHBondContact O-CA 3.16Å; S258-L262 WeakPolarHBondContact O-CB 3.2Å; S258-L262 PolarHBondContact O-N 2.83Å; L262-A265 PolarHBondContact O-N 3.15Å; L262-A265 VanDerWaalsContact O-N 3.11Å; L262-M266 HydrophobicContact CD2-SD 4.28Å; L262-M266 HydrophobicContact CG-CG 4.23Å; L262-M266 HydrophobicContact CG-SD 3.92Å; L262-M266 VanDerWaalsContact O-CG 3.31Å; L262-M266 WeakPolarHBondContact O-CG 3.49Å; L262-M266 PolarHBondContact O-N 3.48Å; L262-L272 HydrophobicContact CD1-CD2 4.06Å; L262-V274 HydrophobicContact CD1-CG2 4.05Å; L262-V274 HydrophobicContact CD2-CG1 4.5Å
263	H	98.1	Very high	97.8	Very high	33 Å²	33	38.8 Å²	38.8	15%	0.153	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-42.5	-178.6	-60.5	164.2	0	0	0	112.7	D97 V98 S258 A265 M266 K267	D97-H263 IonicContact OD1-CD2 3.86Å; D97-H263 IonicContact OD1-CE1 3.19Å; D97-H263 PolarHBondContact OD1-CE1 2.62Å; D97-H263 VanDerWaalsContact OD1-CE1 3.27Å; D97-H263 IonicContact OD1-NE2 2.59Å; D97-H263 PolarHBondContact OD1-NE2 3.26Å; D97-H263 IonicContact OD2-CE1 3.79Å; D97-H263 PolarHBondContact OD2-CE1 2.65Å; D97-H263 IonicContact OD2-NE2 4Å; D97-H263 PolarHBondContact OD2-NE2 2.81Å; V98-H263 WeakPolarHBondContact CG1-CE1 3.49Å; S258-H263 PolarHBondContact O-N 3.38Å; H263-A265 VanDerWaalsContact C-N 3.32Å; H263-A265 PolarHBondContact O-N 2.89Å; H263-M266 PolarHBondContact O-N 2.87Å; H263-K267 WeakPolarHBondContact O-CG 3.35Å; H263-K267 PolarHBondContact O-N 3.25Å
264	P	97.9	Very high	97.9	Very high	55 Å²	55	39.1 Å²	39.1	36%	0.357	22%	0.215	S	C	.	.	H	α-helix	trans	-55.9	-45.1	170.5	-28.1	36.6	0	0	0	112.9	R259 Y261 K267 S268	R259-P264 WeakPolarHBondContact O-CD 3.36Å; Y261-P264 WeakPolarHBondContact O-CD 3.42Å; P264-K267 PolarHBondContact O-N 3.31Å; P264-S268 WeakPolarHBondContact O-CB 3.4Å; P264-S268 PolarHBondContact O-N 3.49Å; P264-S268 PolarHBondContact O-OG 3.15Å
265	A	98.3	Very high	97.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.4	-43.3	179.1	0	0	0	0	0	112.3	N73 L77 Y261 L262 H263 K267 S268 S269 L272	N73-A265 HydrophobicContact CB-CB 4.21Å; L77-A265 HydrophobicContact CD1-CB 4.25Å; L77-A265 HydrophobicContact CG-CB 4.46Å; Y261-A265 PolarHBondContact O-N 3.21Å; L262-A265 PolarHBondContact O-N 3.15Å; L262-A265 VanDerWaalsContact O-N 3.11Å; H263-A265 VanDerWaalsContact C-N 3.32Å; H263-A265 PolarHBondContact O-N 2.89Å; A265-K267 PolarHBondContact O-N 2.67Å; A265-S268 PolarHBondContact O-N 3.06Å; A265-S268 VanDerWaalsContact O-N 3.09Å; A265-S269 WeakPolarHBondContact O-CB 3.45Å; A265-S269 PolarHBondContact O-N 3.28Å; A265-L272 HydrophobicContact CB-CD2 3.66Å
266	M	98.1	Very high	97.9	Very high	86 Å²	86	42.8 Å²	42.8	42%	0.424	23%	0.234	S	C	.	.	H	α-helix	trans	-59.2	-29.4	176.2	-70.3	171.7	69.1	0	0	113.2	L262 H263 L272 V274	L262-M266 HydrophobicContact CD2-SD 4.28Å; L262-M266 HydrophobicContact CG-CG 4.23Å; L262-M266 HydrophobicContact CG-SD 3.92Å; L262-M266 VanDerWaalsContact O-CG 3.31Å; L262-M266 WeakPolarHBondContact O-CG 3.49Å; L262-M266 PolarHBondContact O-N 3.48Å; H263-M266 PolarHBondContact O-N 2.87Å; M266-L272 HydrophobicContact CG-CD2 3.98Å; M266-V274 HydrophobicContact CG-CG2 3.84Å; M266-V274 HydrophobicContact SD-CG2 4.15Å
267	K	97.2	Very high	97.9	Very high	184 Å²	184	46.1 Å²	46.1	80%	0.8	25%	0.252	S	S	*	.	H	α-helix	trans	-84	-22.7	178.5	-70.7	175.2	-177.3	-177.4	0	113.5	H263 P264 A265	H263-K267 WeakPolarHBondContact O-CG 3.35Å; H263-K267 PolarHBondContact O-N 3.25Å; P264-K267 PolarHBondContact O-N 3.31Å; A265-K267 PolarHBondContact O-N 2.67Å
268	S	96	Very high	97.8	Very high	80 Å²	80	46.1 Å²	46.1	56%	0.559	25%	0.252	S	S	*	.	H	α-helix	trans	-121.5	-15.5	-166.4	56.1	0	0	0	0	114.8	L77 P264 A265	L77-S268 WeakPolarHBondContact CD2-OG 3.47Å; P264-S268 WeakPolarHBondContact O-CB 3.4Å; P264-S268 PolarHBondContact O-N 3.49Å; P264-S268 PolarHBondContact O-OG 3.15Å; A265-S268 PolarHBondContact O-N 3.06Å; A265-S268 VanDerWaalsContact O-N 3.09Å
269	S	96.3	Very high	97.7	Very high	16 Å²	16	49.6 Å²	49.6	11%	0.112	27%	0.27	C	S	.	.			trans	-109.8	122.8	179.3	-176.4	0	0	0	0	111.5	S76 A265 N271 L272	S76-S269 PolarHBondContact O-OG 3.35Å; A265-S269 WeakPolarHBondContact O-CB 3.45Å; A265-S269 PolarHBondContact O-N 3.28Å; S269-N271 WeakPolarHBondContact OG-CB 3.3Å; S269-N271 PolarHBondContact OG-N 2.84Å; S269-L272 PolarHBondContact OG-N 2.72Å
270	S	96	Very high	97.7	Very high	120 Å²	120	46.4 Å²	46.4	84%	0.839	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-13.3	165.4	52.8	0	0	0	0	112.9
271	N	97.6	Very high	97.5	Very high	52 Å²	52	48.2 Å²	48.2	28%	0.278	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-5.6	-179	-73.9	-28.3	0	0	0	113.2	S85 S86 K87 V88 S269	S85-N271 PolarHBondContact OG-ND2 3.39Å; S86-N271 VanDerWaalsContact O-CB 3.32Å; S86-N271 WeakPolarHBondContact O-CB 3.3Å; K87-N271 CarbonylContact C-O 3.5Å; K87-N271 WeakPolarHBondContact CA-O 3.35Å; V88-N271 PolarHBondContact N-O 2.84Å; S269-N271 WeakPolarHBondContact OG-CB 3.3Å; S269-N271 PolarHBondContact OG-N 2.84Å
272	L	98.6	Very high	97.3	Very high	19 Å²	19	50.8 Å²	50.8	10%	0.099	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.6	-179.4	-177.8	60	0	0	0	111.4	A72 V88 V90 L262 A265 M266 S269 V274	A72-L272 HydrophobicContact CB-CD1 4.07Å; V88-L272 HydrophobicContact CB-CD1 4.1Å; V88-L272 HydrophobicContact CG1-CD1 3.99Å; V90-L272 HydrophobicContact CG2-CD1 3.79Å; L262-L272 HydrophobicContact CD1-CD2 4.06Å; A265-L272 HydrophobicContact CB-CD2 3.66Å; M266-L272 HydrophobicContact CG-CD2 3.98Å; S269-L272 PolarHBondContact OG-N 2.72Å; L272-V274 HydrophobicContact CD1-CG2 4.1Å; L272-V274 HydrophobicContact CD2-CG2 4.06Å; L272-V274 HydrophobicContact CG-CG2 3.87Å
273	T	98.4	Very high	97.2	Very high	42 Å²	42	50.8 Å²	50.8	26%	0.258	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.9	164.5	-56.9	0	0	0	0	109.4	V88 L89 V90 E275	V88-T273 PolarHBondContact O-N 3.37Å; L89-T273 CarbonylContact C-O 3.57Å; L89-T273 WeakPolarHBondContact CA-O 3.25Å; L89-T273 HydrophobicContact CD1-CG2 3.81Å; V90-T273 PolarHBondContact N-O 3.49Å; T273-E275 HydrophobicContact CG2-CG 4.33Å
274	V	98.4	Very high	97.1	Very high	30 Å²	30	49.5 Å²	49.5	18%	0.182	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.7	176.1	-176.5	0	0	0	0	109.2	V90 L145 L262 M266 L272	V90-V274 HydrophobicContact CB-CG1 4.37Å; V90-V274 HydrophobicContact CB-CG2 4.27Å; V90-V274 HydrophobicContact CG2-CG2 4.48Å; L145-V274 HydrophobicContact CD2-CG1 3.87Å; L262-V274 HydrophobicContact CD1-CG2 4.05Å; L262-V274 HydrophobicContact CD2-CG1 4.5Å; M266-V274 HydrophobicContact CG-CG2 3.84Å; M266-V274 HydrophobicContact SD-CG2 4.15Å; L272-V274 HydrophobicContact CD1-CG2 4.1Å; L272-V274 HydrophobicContact CD2-CG2 4.06Å; L272-V274 HydrophobicContact CG-CG2 3.87Å
275	E	97.9	Very high	97.1	Very high	51 Å²	51	47 Å²	47	24%	0.238	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	115.7	177.2	-65.6	-67.9	-179.8	0	0	110.2	L89 V90 L91 E92 T273 A278 K297	L89-E275 HydrophobicContact CD1-CG 3.87Å; V90-E275 PolarHBondContact O-N 3.3Å; L91-E275 HydrophobicContact CD2-CB 3.74Å; L91-E275 HydrophobicContact CD2-CG 4.19Å; E92-E275 PolarHBondContact N-O 3.29Å; T273-E275 HydrophobicContact CG2-CG 4.33Å; E275-A278 HydrophobicContact CB-CB 4.08Å; E275-K297 IonicContact OE2-NZ 2.75Å; E275-K297 PolarHBondContact OE2-NZ 3.19Å
276	T	97.8	Very high	96.9	Very high	34 Å²	34	51.2 Å²	51.2	21%	0.209	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	160	174.5	59	0	0	0	0	111.6	E92 G94 L145 A278	E92-T276 CarbonylContact O-C 3.39Å; E92-T276 WeakPolarHBondContact O-CA 3.4Å; G94-T276 WeakPolarHBondContact O-CB 3.49Å; L145-T276 HydrophobicContact CD1-CG2 3.99Å; L145-T276 HydrophobicContact CD2-CG2 3.87Å; L145-T276 HydrophobicContact CG-CG2 3.87Å; T276-A278 PolarHBondContact O-N 3.19Å
277	N	97.1	Very high	96.7	Very high	74 Å²	74	48.9 Å²	48.9	40%	0.396	28%	0.277	S	S	.	.	S	Bend	trans	55.1	35.2	-171.4	-49.1	-63.4	0	0	0	112	E92 A93 G94	E92-N277 PolarHBondContact O-N 3.05Å; A93-N277 WeakPolarHBondContact O-CA 3.45Å; G94-N277 PolarHBondContact O-N 2.87Å
278	A	97.5	Very high	96.7	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	95.5	-178.5	0	0	0	0	0	109.3	L91 E92 A93 E275 T276 V280 Y295 S296	L91-A278 HydrophobicContact CB-CB 4.39Å; L91-A278 HydrophobicContact CD2-CB 4.08Å; E92-A278 CarbonylContact C-O 3.42Å; E92-A278 PolarHBondContact O-N 3.13Å; A93-A278 WeakPolarHBondContact CA-O 3.39Å; A93-A278 PolarHBondContact N-O 2.8Å; E275-A278 HydrophobicContact CB-CB 4.08Å; T276-A278 PolarHBondContact O-N 3.19Å; A278-V280 PolarHBondContact O-N 3.47Å; A278-Y295 HydrophobicContact CB-CD2 3.78Å; A278-Y295 HydrophobicContact CB-CE2 4.13Å; A278-S296 CarbonylContact C-O 3.36Å; A278-S296 WeakPolarHBondContact CA-O 3.24Å
279	L	96.4	Very high	96.8	Very high	72 Å²	72	46.6 Å²	46.6	38%	0.377	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	109.4	179.5	178.6	63.1	0	0	0	109.7	A93 W122 T281 Y295 S296	A93-L279 HydrophobicContact CB-CD1 3.96Å; W122-L279 HydrophobicContact CH2-CD1 3.8Å; L279-T281 HydrophobicContact CG-CG2 4.35Å; L279-T281 PolarHBondContact O-N 3.36Å; L279-Y295 CarbonylContact O-C 3.58Å; L279-Y295 WeakPolarHBondContact O-CA 3.37Å; L279-Y295 WeakPolarHBondContact O-CB 3.34Å; L279-S296 PolarHBondContact N-O 3.11Å; L279-S296 PolarHBondContact O-N 2.94Å
280	V	97.2	Very high	96.9	Very high	16 Å²	16	45.9 Å²	45.9	10%	0.097	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	132	169.9	-177.9	0	0	0	0	109.6	I62 L91 A278 V293 K294 L322	I62-V280 HydrophobicContact CB-CG2 4.45Å; I62-V280 HydrophobicContact CD1-CB 4.42Å; I62-V280 HydrophobicContact CD1-CG1 4Å; I62-V280 HydrophobicContact CD1-CG2 4.18Å; I62-V280 HydrophobicContact CG1-CG2 4.16Å; I62-V280 HydrophobicContact CG2-CB 3.9Å; I62-V280 HydrophobicContact CG2-CG2 3.62Å; L91-V280 HydrophobicContact CB-CG2 4Å; L91-V280 HydrophobicContact CD1-CG2 3.51Å; L91-V280 HydrophobicContact CG-CG2 4.41Å; A278-V280 PolarHBondContact O-N 3.47Å; V280-V293 HydrophobicContact CG1-CB 4.03Å; V280-V293 HydrophobicContact CG1-CG1 4.41Å; V280-K294 WeakPolarHBondContact CG1-O 3.27Å; V280-L322 HydrophobicContact CB-CD2 4.24Å; V280-L322 HydrophobicContact CG1-CD1 4Å; V280-L322 HydrophobicContact CG1-CD2 3.73Å
281	T	94	Very high	96.9	Very high	47 Å²	47	40.2 Å²	40.2	29%	0.288	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-19.6	-179.5	55	0	0	0	0	113.2	L279 K294	L279-T281 HydrophobicContact CG-CG2 4.35Å; L279-T281 PolarHBondContact O-N 3.36Å; T281-K294 PolarHBondContact N-O 3.29Å; T281-K294 PolarHBondContact OG1-O 3.33Å
282	Q	95.1	Very high	96.9	Very high	55 Å²	55	37.8 Å²	37.8	26%	0.257	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	142.5	-177.9	-163.2	-179.5	-5.1	0	0	112	V293 K294	Q282-V293 WeakPolarHBondContact O-CA 3.29Å; Q282-K294 HydrophobicContact CB-CB 4.17Å; Q282-K294 PolarHBondContact N-O 3.01Å; Q282-K294 PolarHBondContact O-N 3.45Å
283	I	97.7	Very high	96.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	137.7	165.1	-53.9	164.9	0	0	0	108.5	F285 A290 L312 L322 L323 S326 L581	I283-F285 HydrophobicContact CB-CE2 3.7Å; I283-F285 HydrophobicContact CB-CZ 3.75Å; I283-F285 HydrophobicContact CG2-CD2 4.45Å; I283-F285 HydrophobicContact CG2-CE1 3.96Å; I283-F285 HydrophobicContact CG2-CE2 3.7Å; I283-F285 HydrophobicContact CG2-CZ 3.4Å; I283-F285 WeakPolarHBondContact O-CD2 3.49Å; I283-F285 VanDerWaalsContact O-CE2 3.28Å; I283-F285 WeakPolarHBondContact O-CE2 3.44Å; I283-A290 HydrophobicContact CG2-CB 4.06Å; I283-L312 HydrophobicContact CD1-CD1 4.13Å; I283-L312 HydrophobicContact CD1-CD2 4.04Å; I283-L322 HydrophobicContact CD1-CD2 4.48Å; I283-L322 HydrophobicContact CD1-CG 4.27Å; I283-L322 HydrophobicContact CG1-CD2 4.2Å; I283-L322 HydrophobicContact CG1-CG 4.13Å; I283-L323 HydrophobicContact CD1-CD2 4.12Å; I283-S326 PolarHBondContact N-OG 3.45Å; I283-L581 HydrophobicContact CD1-CD1 4.06Å; I283-L581 HydrophobicContact CD1-CD2 4.21Å
284	L	96.6	Very high	96.7	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	138.9	-176.6	-55.7	169.7	0	0	0	109.7	V48 F53 V291 G292 K294 V303	V48-L284 HydrophobicContact CG2-CB 4.18Å; V48-L284 HydrophobicContact CG2-CD1 3.99Å; V48-L284 HydrophobicContact CG2-CD2 3.8Å; V48-L284 HydrophobicContact CG2-CG 4.18Å; F53-L284 HydrophobicContact CE1-CD1 4.32Å; L284-V291 HydrophobicContact CB-CG2 4.3Å; L284-V291 WeakPolarHBondContact O-CG2 3.5Å; L284-V291 PolarHBondContact O-N 3.2Å; L284-G292 PolarHBondContact N-O 3.35Å; L284-K294 HydrophobicContact CD2-CB 4.38Å; L284-V303 HydrophobicContact CD1-CG1 3.55Å
285	F	96.5	Very high	96.6	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.013	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.4	-172.3	-61.4	-87.6	0	0	0	112.6	I45 I283 R289 A290 I328 W342 I578	I45-F285 HydrophobicContact CG2-CB 4.08Å; I45-F285 VanDerWaalsContact CG2-O 3.29Å; I45-F285 WeakPolarHBondContact CG2-O 3.46Å; I283-F285 HydrophobicContact CB-CE2 3.7Å; I283-F285 HydrophobicContact CB-CZ 3.75Å; I283-F285 HydrophobicContact CG2-CD2 4.45Å; I283-F285 HydrophobicContact CG2-CE1 3.96Å; I283-F285 HydrophobicContact CG2-CE2 3.7Å; I283-F285 HydrophobicContact CG2-CZ 3.4Å; I283-F285 WeakPolarHBondContact O-CD2 3.49Å; I283-F285 VanDerWaalsContact O-CE2 3.28Å; I283-F285 WeakPolarHBondContact O-CE2 3.44Å; F285-R289 VanDerWaalsContact CA-O 3.28Å; F285-R289 WeakPolarHBondContact CA-O 3.47Å; F285-A290 HydrophobicContact CD1-CB 4.19Å; F285-A290 HydrophobicContact CE1-CB 3.9Å; F285-I328 HydrophobicContact CE1-CD1 4.11Å; F285-I328 HydrophobicContact CE2-CD1 4.3Å; F285-I328 HydrophobicContact CZ-CD1 3.53Å; F285-W342 HydrophobicContact CB-CZ2 4.31Å; F285-W342 AromaticContact CD1-CH2 3.98Å; F285-W342 HydrophobicContact CD1-CH2 3.98Å; F285-W342 AromaticContact CD1-CZ2 3.91Å; F285-W342 HydrophobicContact CD1-CZ2 3.91Å; F285-W342 AromaticContact CD2-CZ2 3.67Å; F285-W342 HydrophobicContact CD2-CZ2 3.67Å; F285-W342 HydrophobicContact CE1-CH2 4.33Å; F285-W342 HydrophobicContact CE1-CZ2 4.13Å; F285-W342 AromaticContact CE2-CZ2 3.88Å; F285-W342 HydrophobicContact CE2-CZ2 3.88Å; F285-W342 HydrophobicContact CG-CH2 4.09Å; F285-W342 AromaticContact CG-CZ2 3.68Å; F285-W342 HydrophobicContact CG-CZ2 3.68Å; F285-W342 HydrophobicContact CZ-CZ2 4.11Å; F285-I578 HydrophobicContact CD1-CG2 4.48Å; F285-I578 HydrophobicContact CE1-CG2 3.8Å
286	E	94.7	Very high	96.5	Very high	88 Å²	88	37.4 Å²	37.4	41%	0.411	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	104.5	161.7	-72.6	167.1	-149.4	0	0	106.8	K288 R289 V291 R305	E286-K288 PolarHBondContact O-N 3.27Å; E286-R289 PolarHBondContact N-O 3.28Å; E286-R289 WeakPolarHBondContact O-CB 3.5Å; E286-R289 PolarHBondContact O-N 2.77Å; E286-R289 VanDerWaalsContact O-N 3.11Å; E286-V291 HydrophobicContact CB-CG1 3.93Å; E286-V291 HydrophobicContact CG-CG1 3.92Å; E286-V291 HydrophobicContact CG-CG2 4.01Å; E286-R305 IonicContact OE1-CZ 3.99Å; E286-R305 IonicContact OE1-NH1 3.12Å; E286-R305 PolarHBondContact OE1-NH1 3.21Å; E286-R305 VanDerWaalsContact OE1-NH1 3.12Å; E286-R305 IonicContact OE1-NH2 2.81Å
287	G	94.5	Very high	96.3	Very high	36 Å²	36	38 Å²	38	37%	0.371	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	-125.6	-169.5	0	0	0	0	0	111.4	I45	I45-G287 VanDerWaalsContact CD1-CA 3.49Å
288	K	96.4	Very high	96.1	Very high	118 Å²	118	40.5 Å²	40.5	51%	0.513	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	7.4	175.2	-71	-173.6	166.8	-167.7	0	113.9	E286 W342 I578 D579	E286-K288 PolarHBondContact O-N 3.27Å; K288-W342 HydrophobicContact CG-CZ3 4.29Å; K288-I578 WeakPolarHBondContact O-CA 3.36Å; K288-D579 PolarHBondContact O-N 2.96Å
289	R	98	Very high	95.7	Very high	99 Å²	99	46.2 Å²	46.2	37%	0.374	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.6	-178	-176.7	-179.7	173.6	82.6	-0.1	110.5	F285 E286 V291 E307 D579 N580	F285-R289 VanDerWaalsContact CA-O 3.28Å; F285-R289 WeakPolarHBondContact CA-O 3.47Å; E286-R289 PolarHBondContact N-O 3.28Å; E286-R289 WeakPolarHBondContact O-CB 3.5Å; E286-R289 PolarHBondContact O-N 2.77Å; E286-R289 VanDerWaalsContact O-N 3.11Å; R289-V291 HydrophobicContact CG-CG1 4.1Å; R289-V291 PolarHBondContact O-N 2.69Å; R289-E307 PolarHBondContact NH2-O 3.49Å; R289-D579 HydrophobicContact CB-CB 4.25Å; R289-D579 HydrophobicContact CG-CB 4.38Å; R289-N580 HydrophobicContact CG-CB 4.21Å; R289-N580 VanDerWaalsContact CZ-CG 3.47Å; R289-N580 PolarHBondContact NE-ND2 3.04Å; R289-N580 PolarHBondContact NH1-ND2 3.39Å; R289-N580 PolarHBondContact NH1-OD1 3.49Å; R289-N580 PolarHBondContact NH2-ND2 2.93Å
290	A	98.1	Very high	95.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	125.4	168.2	0	0	0	0	0	109.9	I283 F285 V310 D579 N580 L581	I283-A290 HydrophobicContact CG2-CB 4.06Å; F285-A290 HydrophobicContact CD1-CB 4.19Å; F285-A290 HydrophobicContact CE1-CB 3.9Å; A290-V310 HydrophobicContact CB-CB 4.44Å; A290-V310 HydrophobicContact CB-CG2 4.33Å; A290-D579 PolarHBondContact N-O 2.71Å; A290-N580 HydrophobicContact CB-CB 4.3Å; A290-N580 VanDerWaalsContact O-CB 3.26Å; A290-N580 WeakPolarHBondContact O-CB 3.22Å; A290-N580 PolarHBondContact O-ND2 3.13Å; A290-L581 HydrophobicContact CB-CB 4.08Å; A290-L581 HydrophobicContact CB-CD1 4.48Å
291	V	97.2	Very high	95.4	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	-6.7	-173.8	-63.4	0	0	0	0	113.9	L284 E286 R289 R305 A306	L284-V291 HydrophobicContact CB-CG2 4.3Å; L284-V291 WeakPolarHBondContact O-CG2 3.5Å; L284-V291 PolarHBondContact O-N 3.2Å; E286-V291 HydrophobicContact CB-CG1 3.93Å; E286-V291 HydrophobicContact CG-CG1 3.92Å; E286-V291 HydrophobicContact CG-CG2 4.01Å; R289-V291 HydrophobicContact CG-CG1 4.1Å; R289-V291 PolarHBondContact O-N 2.69Å; V291-R305 WeakPolarHBondContact O-CG 3.34Å; V291-A306 PolarHBondContact O-N 3.46Å
292	G	97	Very high	95.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.3	-168.5	-179.4	0	0	0	0	0	112.8	L284 A304	L284-G292 PolarHBondContact N-O 3.35Å; G292-A304 CarbonylContact C-O 3.59Å; G292-A304 WeakPolarHBondContact CA-O 3.43Å
293	V	97.4	Very high	95.5	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.8	-177.7	-58.2	0	0	0	0	111.4	I60 I62 L91 V280 Q282 Y295 V303 A304 V310	I60-V293 HydrophobicContact CD1-CG2 4.12Å; I60-V293 HydrophobicContact CG2-CG1 4.38Å; I60-V293 HydrophobicContact CG2-CG2 3.98Å; I62-V293 HydrophobicContact CD1-CG1 3.66Å; I62-V293 HydrophobicContact CG1-CG1 4.48Å; L91-V293 HydrophobicContact CD1-CG2 3.61Å; V280-V293 HydrophobicContact CG1-CB 4.03Å; V280-V293 HydrophobicContact CG1-CG1 4.41Å; Q282-V293 WeakPolarHBondContact O-CA 3.29Å; V293-Y295 HydrophobicContact CG2-CD1 4.43Å; V293-V303 WeakPolarHBondContact O-CA 3.4Å; V293-A304 HydrophobicContact CG2-CB 4.4Å; V293-A304 PolarHBondContact N-O 3.35Å; V293-A304 PolarHBondContact O-N 2.92Å; V293-A304 VanDerWaalsContact O-N 3.07Å; V293-V310 HydrophobicContact CG1-CG1 3.81Å; V293-V310 HydrophobicContact CG1-CG2 4.16Å
294	K	96.1	Very high	95.4	Very high	74 Å²	74	52.1 Å²	52.1	32%	0.322	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132	167	-170.3	179.8	-169.9	175.7	0	108.9	V280 T281 Q282 L284 V301 H302	V280-K294 WeakPolarHBondContact CG1-O 3.27Å; T281-K294 PolarHBondContact N-O 3.29Å; T281-K294 PolarHBondContact OG1-O 3.33Å; Q282-K294 HydrophobicContact CB-CB 4.17Å; Q282-K294 PolarHBondContact N-O 3.01Å; Q282-K294 PolarHBondContact O-N 3.45Å; L284-K294 HydrophobicContact CD2-CB 4.38Å; K294-V301 HydrophobicContact CD-CG1 4.1Å; K294-V301 HydrophobicContact CG-CG1 3.84Å; K294-H302 WeakPolarHBondContact CA-O 3.25Å
295	Y	95.8	Very high	95.4	Very high	24 Å²	24	55.5 Å²	55.5	9%	0.094	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152.2	179.7	68.5	-82.2	0	0	0	112	L91 A278 L279 V293 K297 H302 A304	L91-Y295 HydrophobicContact CD1-CD1 3.87Å; L91-Y295 HydrophobicContact CD1-CE1 4.34Å; L91-Y295 HydrophobicContact CD1-CG 4.04Å; L91-Y295 HydrophobicContact CD2-CD2 4.37Å; L91-Y295 HydrophobicContact CD2-CE1 4.39Å; L91-Y295 HydrophobicContact CD2-CE2 4.22Å; A278-Y295 HydrophobicContact CB-CD2 3.78Å; A278-Y295 HydrophobicContact CB-CE2 4.13Å; L279-Y295 CarbonylContact O-C 3.58Å; L279-Y295 WeakPolarHBondContact O-CA 3.37Å; L279-Y295 WeakPolarHBondContact O-CB 3.34Å; V293-Y295 HydrophobicContact CG2-CD1 4.43Å; Y295-K297 HydrophobicContact CD2-CB 4.34Å; Y295-K297 HydrophobicContact CE2-CB 4.23Å; Y295-H302 HydrophobicContact CD1-CB 3.91Å; Y295-H302 HydrophobicContact CD2-CB 4.06Å; Y295-H302 HydrophobicContact CE1-CB 3.43Å; Y295-H302 VanDerWaalsContact CE1-CB 3.43Å; Y295-H302 HydrophobicContact CE2-CB 3.62Å; Y295-H302 AromaticContact CE2-CG 3.95Å; Y295-H302 HydrophobicContact CG-CB 4.21Å; Y295-H302 AromaticContact CZ-CG 3.92Å; Y295-H302 PolarHBondContact N-O 3.45Å; Y295-H302 PolarHBondContact O-N 2.96Å; Y295-A304 HydrophobicContact CE1-CB 4.13Å
296	S	94.9	Very high	95.5	Very high	36 Å²	36	55.5 Å²	55.5	25%	0.252	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.1	173.8	-172.4	0	0	0	0	110.4	A278 L279 Q300	A278-S296 CarbonylContact C-O 3.36Å; A278-S296 WeakPolarHBondContact CA-O 3.24Å; L279-S296 PolarHBondContact N-O 3.11Å; L279-S296 PolarHBondContact O-N 2.94Å; S296-Q300 CarbonylContact C-O 3.56Å; S296-Q300 VanDerWaalsContact CA-O 3.26Å; S296-Q300 WeakPolarHBondContact CA-O 3.15Å
297	K	94.5	Very high	95.6	Very high	48 Å²	48	56 Å²	56	21%	0.209	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	131.6	172.2	-177.5	-179.8	178.4	-168.2	0	108.3	E275 Y295 S299 Q300	E275-K297 IonicContact OE2-NZ 2.75Å; E275-K297 PolarHBondContact OE2-NZ 3.19Å; Y295-K297 HydrophobicContact CD2-CB 4.34Å; Y295-K297 HydrophobicContact CE2-CB 4.23Å; K297-S299 PolarHBondContact O-N 3.09Å; K297-Q300 PolarHBondContact N-O 3.02Å; K297-Q300 PolarHBondContact O-N 3.34Å
298	N	92.3	Very high	95.7	Very high	125 Å²	125	56 Å²	56	67%	0.668	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	40.3	-176.2	-56.1	-29.2	0	0	0	112.9	Q300	N298-Q300 PolarHBondContact O-N 3.28Å
299	S	89.5	Confident	95.8	Very high	122 Å²	122	51.1 Å²	51.1	85%	0.853	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	8.4	-175.2	-52	0	0	0	0	115.5	K297	K297-S299 PolarHBondContact O-N 3.09Å
300	Q	93.5	Very high	95.9	Very high	127 Å²	127	46.4 Å²	46.4	59%	0.593	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	144.8	173.3	-65.7	-172.7	-18.3	0	0	110.1	S296 K297 N298 H302	S296-Q300 CarbonylContact C-O 3.56Å; S296-Q300 VanDerWaalsContact CA-O 3.26Å; S296-Q300 WeakPolarHBondContact CA-O 3.15Å; K297-Q300 PolarHBondContact N-O 3.02Å; K297-Q300 PolarHBondContact O-N 3.34Å; N298-Q300 PolarHBondContact O-N 3.28Å; Q300-H302 PolarHBondContact O-CD2 3.29Å
301	V	93.8	Very high	95.9	Very high	93 Å²	93	46.4 Å²	46.4	56%	0.564	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.5	175.6	169.8	0	0	0	0	108.8	K294	K294-V301 HydrophobicContact CD-CG1 4.1Å; K294-V301 HydrophobicContact CG-CG1 3.84Å
302	H	94.8	Very high	96	Very high	53 Å²	53	46.4 Å²	46.4	25%	0.245	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	158.8	176.7	-60.9	-88	0	0	0	110.4	K294 Y295 Q300	K294-H302 WeakPolarHBondContact CA-O 3.25Å; Y295-H302 HydrophobicContact CD1-CB 3.91Å; Y295-H302 HydrophobicContact CD2-CB 4.06Å; Y295-H302 HydrophobicContact CE1-CB 3.43Å; Y295-H302 VanDerWaalsContact CE1-CB 3.43Å; Y295-H302 HydrophobicContact CE2-CB 3.62Å; Y295-H302 AromaticContact CE2-CG 3.95Å; Y295-H302 HydrophobicContact CG-CB 4.21Å; Y295-H302 AromaticContact CZ-CG 3.92Å; Y295-H302 PolarHBondContact N-O 3.45Å; Y295-H302 PolarHBondContact O-N 2.96Å; Q300-H302 PolarHBondContact O-CD2 3.29Å
303	V	95.6	Very high	96.1	Very high	37 Å²	37	46.7 Å²	46.7	22%	0.224	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137	177.2	-177.3	0	0	0	0	108.5	F53 L284 V293	F53-V303 HydrophobicContact CD1-CG1 3.47Å; F53-V303 VanDerWaalsContact CD1-CG1 3.47Å; F53-V303 HydrophobicContact CE1-CG1 3.35Å; F53-V303 HydrophobicContact CG-CG1 4.47Å; F53-V303 HydrophobicContact CZ-CG1 4.25Å; L284-V303 HydrophobicContact CD1-CG1 3.55Å; V293-V303 WeakPolarHBondContact O-CA 3.4Å
304	A	96.2	Very high	96.1	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.025	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.3	175.6	0	0	0	0	0	110.6	I60 L89 G292 V293 Y295	I60-A304 HydrophobicContact CD1-CB 3.72Å; I60-A304 WeakPolarHBondContact CD1-O 3.15Å; L89-A304 HydrophobicContact CD2-CB 3.62Å; G292-A304 CarbonylContact C-O 3.59Å; G292-A304 WeakPolarHBondContact CA-O 3.43Å; V293-A304 HydrophobicContact CG2-CB 4.4Å; V293-A304 PolarHBondContact N-O 3.35Å; V293-A304 PolarHBondContact O-N 2.92Å; V293-A304 VanDerWaalsContact O-N 3.07Å; Y295-A304 HydrophobicContact CE1-CB 4.13Å
305	R	97.4	Very high	96.2	Very high	77 Å²	77	45.3 Å²	45.3	29%	0.291	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.9	179.8	-165.7	166.5	172.8	81.3	-1.3	111.1	F53 N55 Y57 E286 V291	F53-R305 HydrophobicContact CB-CB 4.05Å; F53-R305 HydrophobicContact CD1-CB 3.42Å; F53-R305 VanDerWaalsContact CD1-CB 3.42Å; F53-R305 HydrophobicContact CD1-CG 4.17Å; F53-R305 HydrophobicContact CD2-CB 4.32Å; F53-R305 HydrophobicContact CD2-CG 4.39Å; F53-R305 HydrophobicContact CE1-CB 3.83Å; F53-R305 HydrophobicContact CE1-CG 4.22Å; F53-R305 HydrophobicContact CE2-CG 4.47Å; F53-R305 HydrophobicContact CG-CB 3.69Å; F53-R305 HydrophobicContact CG-CG 4.25Å; F53-R305 HydrophobicContact CZ-CB 4.45Å; F53-R305 HydrophobicContact CZ-CG 4.38Å; N55-R305 PolarHBondContact O-N 3.2Å; Y57-R305 PolarHBondContact N-O 3.18Å; E286-R305 IonicContact OE1-CZ 3.99Å; E286-R305 IonicContact OE1-NH1 3.12Å; E286-R305 PolarHBondContact OE1-NH1 3.21Å; E286-R305 VanDerWaalsContact OE1-NH1 3.12Å; E286-R305 IonicContact OE1-NH2 2.81Å; V291-R305 WeakPolarHBondContact O-CG 3.34Å
306	A	97.8	Very high	96.4	Very high	3 Å²	3	44.4 Å²	44.4	3%	0.025	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.4	166.7	0	0	0	0	0	109	Y57 I60 V291 V310	Y57-A306 CarbonylContact O-C 3.54Å; Y57-A306 WeakPolarHBondContact O-CA 3.43Å; I60-A306 HydrophobicContact CB-CB 4.48Å; I60-A306 HydrophobicContact CD1-CB 3.98Å; I60-A306 HydrophobicContact CG1-CB 3.97Å; V291-A306 PolarHBondContact O-N 3.46Å; A306-V310 HydrophobicContact CB-CG2 3.7Å
307	E	96.7	Very high	96.5	Very high	98 Å²	98	42.8 Å²	42.8	46%	0.458	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-40.8	177.9	-61.1	172	176.4	0	0	110.8	S56 Y57 R289	S56-E307 WeakPolarHBondContact CB-OE1 2.86Å; S56-E307 PolarHBondContact OG-OE1 2.84Å; Y57-E307 PolarHBondContact O-N 3.17Å; R289-E307 PolarHBondContact NH2-O 3.49Å
308	S	97.5	Very high	96.7	Very high	37 Å²	37	41.7 Å²	41.7	26%	0.259	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-68.7	179.5	-62.2	0	0	0	0	112.3	E58 N580	E58-S308 WeakPolarHBondContact CG-OG 3.4Å; E58-S308 WeakPolarHBondContact O-CA 3.47Å; E58-S308 VanDerWaalsContact O-CB 3.26Å; E58-S308 WeakPolarHBondContact O-CB 3.39Å; E58-S308 PolarHBondContact O-N 2.71Å; S308-N580 VanDerWaalsContact O-CB 3.3Å; S308-N580 WeakPolarHBondContact O-CB 3.18Å; S308-N580 PolarHBondContact O-ND2 2.9Å; S308-N580 PolarHBondContact O-OD1 3.35Å
309	E	98.6	Very high	97	Very high	16 Å²	16	35.8 Å²	35.8	8%	0.075	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	147.6	-175.1	-53.2	179.6	167.9	0	0	113.7	E58 Y59 I60 I311 N580 R582	E58-E309 PolarHBondContact O-N 2.57Å; Y59-E309 WeakPolarHBondContact CA-O 3.23Å; Y59-E309 HydrophobicContact CD1-CB 3.82Å; Y59-E309 HydrophobicContact CD1-CG 4.38Å; Y59-E309 HydrophobicContact CE1-CB 3.85Å; Y59-E309 HydrophobicContact CE1-CG 3.89Å; I60-E309 PolarHBondContact N-O 2.5Å; I60-E309 VanDerWaalsContact N-O 3.1Å; E309-I311 HydrophobicContact CB-CG1 4.43Å; E309-N580 CarbonylContact C-O 3.47Å; E309-N580 WeakPolarHBondContact CA-O 3.13Å; E309-R582 VanDerWaalsContact CD-NE 3.26Å; E309-R582 IonicContact OE1-CZ 3.47Å; E309-R582 IonicContact OE1-NE 3.25Å; E309-R582 PolarHBondContact OE1-NE 3.2Å; E309-R582 IonicContact OE1-NH2 2.75Å; E309-R582 PolarHBondContact OE1-NH2 3.14Å; E309-R582 VanDerWaalsContact OE2-CD 3.25Å; E309-R582 WeakPolarHBondContact OE2-CD 3.35Å; E309-R582 WeakPolarHBondContact OE2-CG 3.5Å; E309-R582 IonicContact OE2-CZ 3.75Å; E309-R582 IonicContact OE2-NE 3.81Å; E309-R582 PolarHBondContact OE2-NE 2.81Å; E309-R582 IonicContact OE2-NH2 3.2Å
310	V	98.9	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.4	161.4	178.4	0	0	0	0	107.8	I62 A290 V293 A306 L312 N580 L581 R582	I62-V310 HydrophobicContact CD1-CG1 3.76Å; I62-V310 HydrophobicContact CG1-CG1 4.36Å; A290-V310 HydrophobicContact CB-CB 4.44Å; A290-V310 HydrophobicContact CB-CG2 4.33Å; V293-V310 HydrophobicContact CG1-CG1 3.81Å; V293-V310 HydrophobicContact CG1-CG2 4.16Å; A306-V310 HydrophobicContact CB-CG2 3.7Å; V310-L312 HydrophobicContact CG1-CD2 4.35Å; V310-N580 PolarHBondContact N-O 3.19Å; V310-L581 HydrophobicContact CB-CD1 3.99Å; V310-L581 HydrophobicContact CG1-CD1 4.01Å; V310-L581 WeakPolarHBondContact O-CA 3.39Å; V310-R582 PolarHBondContact O-N 3.2Å
311	I	98.9	Very high	97.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	115.8	-178.2	-51.6	169.4	0	0	0	109.2	Y59 I60 I61 I62 L71 L75 E309 R582 V584 I612	Y59-I311 HydrophobicContact CD1-CD1 3.93Å; Y59-I311 HydrophobicContact CG-CD1 4.47Å; I60-I311 PolarHBondContact O-N 3.48Å; I61-I311 WeakPolarHBondContact CA-O 3.24Å; I61-I311 HydrophobicContact CG1-CB 4.45Å; I61-I311 HydrophobicContact CG1-CD1 4.38Å; I62-I311 PolarHBondContact N-O 3.23Å; L71-I311 HydrophobicContact CD1-CG2 3.74Å; L75-I311 HydrophobicContact CD1-CD1 4Å; E309-I311 HydrophobicContact CB-CG1 4.43Å; I311-R582 WeakPolarHBondContact CA-O 3.48Å; I311-R582 HydrophobicContact CG1-CB 4.43Å; I311-R582 HydrophobicContact CG2-CB 4.33Å; I311-V584 HydrophobicContact CG2-CB 4.3Å; I311-V584 HydrophobicContact CG2-CG2 3.93Å; I311-I612 HydrophobicContact CD1-CD1 3.75Å
312	L	99	Very high	97.7	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.5	175.5	-55.4	-170.6	0	0	0	110.5	I62 I283 V310 L322 L323 L581 R582 I583 V584	I62-L312 HydrophobicContact CB-CD2 4.18Å; I62-L312 HydrophobicContact CD1-CD2 3.35Å; I62-L312 HydrophobicContact CG1-CD2 4.11Å; I283-L312 HydrophobicContact CD1-CD1 4.13Å; I283-L312 HydrophobicContact CD1-CD2 4.04Å; V310-L312 HydrophobicContact CG1-CD2 4.35Å; L312-L322 HydrophobicContact CD2-CD2 3.82Å; L312-L323 HydrophobicContact CD1-CD2 3.75Å; L312-L323 HydrophobicContact CD1-CG 3.8Å; L312-L581 HydrophobicContact CG-CD1 4.19Å; L312-R582 PolarHBondContact N-O 2.99Å; L312-I583 HydrophobicContact CB-CB 4.37Å; L312-I583 HydrophobicContact CB-CG1 4.16Å; L312-I583 HydrophobicContact CB-CG2 4.09Å; L312-I583 HydrophobicContact CD1-CD1 4.5Å; L312-I583 HydrophobicContact CD1-CG1 4.21Å; L312-I583 HydrophobicContact CG-CG1 4.41Å; L312-I583 CarbonylContact O-C 3.43Å; L312-I583 WeakPolarHBondContact O-CA 3.46Å; L312-V584 PolarHBondContact O-N 3.29Å
313	S	98.9	Very high	97.9	Very high	6 Å²	6	18.3 Å²	18.3	4%	0.042	10%	0.104	C	C	.	.			trans	-134.1	32	174.3	-67.2	0	0	0	0	111.1	I62 G315 V584 D585	I62-S313 CarbonylContact O-C 3.57Å; I62-S313 WeakPolarHBondContact O-CA 3.46Å; I62-S313 WeakPolarHBondContact O-CB 2.92Å; I62-S313 PolarHBondContact O-N 2.81Å; S313-G315 PolarHBondContact O-N 2.79Å; S313-V584 WeakPolarHBondContact CB-O 3.28Å; S313-V584 PolarHBondContact OG-O 3.21Å; S313-D585 WeakPolarHBondContact CA-OD2 3.42Å
314	G	98.3	Very high	97.9	Very high	24 Å²	24	16.7 Å²	16.7	25%	0.247	10%	0.095	C	C	.	.	S	Bend	trans	-75.3	-7.5	-178.1	0	0	0	0	0	114.3	I62 N318 S319 D585	I62-G314 PolarHBondContact O-N 3.05Å; G314-N318 WeakPolarHBondContact O-CB 3.2Å; G314-S319 WeakPolarHBondContact CA-OG 3.28Å; G314-S319 PolarHBondContact N-OG 3.29Å; G314-D585 PolarHBondContact N-OD2 3.47Å
315	G	98.4	Very high	97.9	Very high	20 Å²	20	18.8 Å²	18.8	21%	0.206	11%	0.105	C	C	.	.	H	α-helix	trans	85.3	177.1	-176.1	0	0	0	0	0	112.8	S313 I317 N318 S319 D585	S313-G315 PolarHBondContact O-N 2.79Å; G315-I317 PolarHBondContact O-N 3.34Å; G315-N318 PolarHBondContact O-N 3.18Å; G315-S319 PolarHBondContact N-OG 2.97Å; G315-S319 WeakPolarHBondContact O-CB 3.07Å; G315-S319 PolarHBondContact O-N 3.36Å; G315-S319 VanDerWaalsContact O-N 3.09Å; G315-S319 PolarHBondContact O-OG 3.01Å; G315-D585 VanDerWaalsContact CA-CG 3.46Å; G315-D585 WeakPolarHBondContact CA-OD2 3.22Å; G315-D585 PolarHBondContact N-OD2 3.2Å
316	A	98.2	Very high	97.8	Very high	5 Å²	5	15.5 Å²	15.5	4%	0.041	9%	0.094	C	C	.	.	H	α-helix	trans	-56.8	-19.3	-175.5	0	0	0	0	0	115.3	P320 P533 T536 A586	A316-P320 WeakPolarHBondContact O-CG 3.23Å; A316-P533 VanDerWaalsContact CB-C 3.4Å; A316-P533 HydrophobicContact CB-CB 4.09Å; A316-P533 HydrophobicContact CB-CG 4.46Å; A316-P533 WeakPolarHBondContact CB-O 3.43Å; A316-T536 WeakPolarHBondContact CA-OG1 3.48Å; A316-T536 HydrophobicContact CB-CG2 4.5Å; A316-T536 WeakPolarHBondContact O-CB 3.43Å; A316-T536 VanDerWaalsContact O-CG2 3.28Å; A316-T536 WeakPolarHBondContact O-CG2 3.14Å; A316-T536 PolarHBondContact O-OG1 2.71Å; A316-A586 HydrophobicContact CB-CB 4.47Å
317	I	98.1	Very high	97.7	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-97.4	-52.9	179.6	-59.1	167.9	0	0	0	110.4	Y124 W139 G315 P320 H321 I455 P466 I468 P533	Y124-I317 HydrophobicContact CD2-CD1 3.71Å; Y124-I317 HydrophobicContact CD2-CG2 4.41Å; Y124-I317 HydrophobicContact CE2-CB 4.4Å; Y124-I317 HydrophobicContact CE2-CD1 3.93Å; Y124-I317 HydrophobicContact CE2-CG2 3.95Å; W139-I317 HydrophobicContact CE3-CD1 4.07Å; W139-I317 HydrophobicContact CZ3-CD1 4.44Å; G315-I317 PolarHBondContact O-N 3.34Å; I317-P320 WeakPolarHBondContact O-CD 3.42Å; I317-P320 WeakPolarHBondContact O-CG 3.39Å; I317-H321 VanDerWaalsContact O-CB 3.27Å; I317-H321 WeakPolarHBondContact O-CB 3.31Å; I317-H321 PolarHBondContact O-N 2.86Å; I317-I455 HydrophobicContact CG1-CD1 4.26Å; I317-P466 HydrophobicContact CG2-CB 4.25Å; I317-P466 HydrophobicContact CG2-CG 3.63Å; I317-I468 HydrophobicContact CD1-CD1 3.96Å; I317-I468 HydrophobicContact CG1-CD1 4.39Å; I317-I468 HydrophobicContact CG2-CD1 4.01Å; I317-I468 HydrophobicContact CG2-CG1 4.47Å; I317-P533 HydrophobicContact CD1-CG 4.47Å
318	N	97.9	Very high	97.7	Very high	25 Å²	25	10.8 Å²	10.8	13%	0.134	7%	0.072	C	C	.	.	H	α-helix	trans	-84	-25.7	-168.3	-66.9	-44.5	0	0	0	114.5	Y124 G314 G315 H321 L322	Y124-N318 PolarHBondContact OH-ND2 3.23Å; Y124-N318 PolarHBondContact OH-OD1 3.36Å; G314-N318 WeakPolarHBondContact O-CB 3.2Å; G315-N318 PolarHBondContact O-N 3.18Å; N318-H321 PolarHBondContact O-N 3.22Å; N318-L322 WeakPolarHBondContact O-CB 3.49Å; N318-L322 PolarHBondContact O-N 3.39Å
319	S	98.7	Very high	97.6	Very high	2 Å²	2	9 Å²	9	1%	0.014	6%	0.059	C	C	.	.	H	α-helix	trans	-64.5	-52.7	175.5	-66.7	0	0	0	0	112.6	G314 G315 H321 L322 L323 D585	G314-S319 WeakPolarHBondContact CA-OG 3.28Å; G314-S319 PolarHBondContact N-OG 3.29Å; G315-S319 PolarHBondContact N-OG 2.97Å; G315-S319 WeakPolarHBondContact O-CB 3.07Å; G315-S319 PolarHBondContact O-N 3.36Å; G315-S319 VanDerWaalsContact O-N 3.09Å; G315-S319 PolarHBondContact O-OG 3.01Å; S319-H321 VanDerWaalsContact C-N 3.29Å; S319-H321 PolarHBondContact O-N 3.48Å; S319-L322 PolarHBondContact O-N 2.72Å; S319-L323 WeakPolarHBondContact O-CG 3.19Å; S319-L323 PolarHBondContact O-N 3.45Å; S319-D585 WeakPolarHBondContact CB-OD2 3.31Å; S319-D585 PolarHBondContact OG-OD2 3.04Å
320	P	97.8	Very high	97.4	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.7	-33.4	174.6	28.6	-37.2	0	0	0	112.2	A316 I317 L323 M324 V348 I455	A316-P320 WeakPolarHBondContact O-CG 3.23Å; I317-P320 WeakPolarHBondContact O-CD 3.42Å; I317-P320 WeakPolarHBondContact O-CG 3.39Å; P320-L323 PolarHBondContact O-N 3.11Å; P320-M324 HydrophobicContact CB-CE 4.46Å; P320-M324 WeakPolarHBondContact O-CE 3.44Å; P320-M324 WeakPolarHBondContact O-CG 3.48Å; P320-M324 PolarHBondContact O-N 2.96Å; P320-V348 HydrophobicContact CB-CG1 3.83Å; P320-I455 HydrophobicContact CG-CB 4.31Å; P320-I455 HydrophobicContact CG-CG2 4.25Å
321	H	97.2	Very high	97.2	Very high	14 Å²	14	9.6 Å²	9.6	7%	0.065	6%	0.063	C	C	.	.	H	α-helix	trans	-58.7	-48.3	176	-170.8	-119	0	0	0	112.1	I317 N318 S319 M324 L325 L457 G463	I317-H321 VanDerWaalsContact O-CB 3.27Å; I317-H321 WeakPolarHBondContact O-CB 3.31Å; I317-H321 PolarHBondContact O-N 2.86Å; N318-H321 PolarHBondContact O-N 3.22Å; S319-H321 VanDerWaalsContact C-N 3.29Å; S319-H321 PolarHBondContact O-N 3.48Å; H321-M324 PolarHBondContact O-N 2.86Å; H321-L325 WeakPolarHBondContact O-CG 3.38Å; H321-L325 PolarHBondContact O-N 2.9Å; H321-L457 WeakPolarHBondContact CD2-CD2 3.24Å; H321-L457 WeakPolarHBondContact NE2-CD2 3.27Å; H321-G463 PolarHBondContact CE1-O 3.14Å; H321-G463 PolarHBondContact NE2-O 2.61Å
322	L	97.6	Very high	96.8	Very high	13 Å²	13	15.2 Å²	15.2	7%	0.068	9%	0.094	C	C	.	.	H	α-helix	trans	-68.2	-35.2	179.3	-179.6	59.6	0	0	0	112.6	I62 V280 I283 L312 N318 S319 L325 S326	I62-L322 HydrophobicContact CD1-CD2 3.73Å; I62-L322 HydrophobicContact CG2-CD2 4.15Å; V280-L322 HydrophobicContact CB-CD2 4.24Å; V280-L322 HydrophobicContact CG1-CD1 4Å; V280-L322 HydrophobicContact CG1-CD2 3.73Å; I283-L322 HydrophobicContact CD1-CD2 4.48Å; I283-L322 HydrophobicContact CD1-CG 4.27Å; I283-L322 HydrophobicContact CG1-CD2 4.2Å; I283-L322 HydrophobicContact CG1-CG 4.13Å; L312-L322 HydrophobicContact CD2-CD2 3.82Å; N318-L322 WeakPolarHBondContact O-CB 3.49Å; N318-L322 PolarHBondContact O-N 3.39Å; S319-L322 PolarHBondContact O-N 2.72Å; L322-L325 PolarHBondContact O-N 2.65Å; L322-S326 WeakPolarHBondContact O-CB 3.4Å; L322-S326 PolarHBondContact O-N 3.3Å; L322-S326 PolarHBondContact O-OG 3.31Å
323	L	98.2	Very high	96.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.4	-49.3	172.1	-72.4	176.9	0	0	0	111.2	I283 L312 S319 P320 L325 S326 G327 I328 V348 V568 L581 I583	I283-L323 HydrophobicContact CD1-CD2 4.12Å; L312-L323 HydrophobicContact CD1-CD2 3.75Å; L312-L323 HydrophobicContact CD1-CG 3.8Å; S319-L323 WeakPolarHBondContact O-CG 3.19Å; S319-L323 PolarHBondContact O-N 3.45Å; P320-L323 PolarHBondContact O-N 3.11Å; L323-L325 PolarHBondContact O-N 3.09Å; L323-S326 CarbonylContact O-C 3.57Å; L323-S326 WeakPolarHBondContact O-CA 3.16Å; L323-S326 PolarHBondContact O-N 3.24Å; L323-G327 PolarHBondContact O-N 2.8Å; L323-I328 CarbonylContact C-O 3.6Å; L323-I328 HydrophobicContact CB-CB 4.28Å; L323-I328 HydrophobicContact CB-CG2 4.5Å; L323-I328 HydrophobicContact CD2-CB 4.5Å; L323-I328 HydrophobicContact CD2-CD1 4.05Å; L323-I328 HydrophobicContact CD2-CG2 4.5Å; L323-I328 PolarHBondContact O-N 3.48Å; L323-V348 HydrophobicContact CB-CG1 3.86Å; L323-V348 HydrophobicContact CD1-CG1 4.03Å; L323-V348 HydrophobicContact CD1-CG2 3.89Å; L323-V568 HydrophobicContact CD1-CG1 4.12Å; L323-L581 HydrophobicContact CD2-CD2 3.79Å; L323-I583 HydrophobicContact CD1-CD1 3.73Å
324	M	96.6	Very high	96.2	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.02	10%	0.1	C	C	.	.	H	α-helix	trans	-61.7	-43.9	178.5	-73.5	-173.9	-81.8	0	0	112	P320 H321 S326 G327 I328 L334 V348 I455 L457	P320-M324 HydrophobicContact CB-CE 4.46Å; P320-M324 WeakPolarHBondContact O-CE 3.44Å; P320-M324 WeakPolarHBondContact O-CG 3.48Å; P320-M324 PolarHBondContact O-N 2.96Å; H321-M324 PolarHBondContact O-N 2.86Å; M324-S326 PolarHBondContact O-N 2.97Å; M324-G327 PolarHBondContact O-N 2.94Å; M324-I328 VanDerWaalsContact CA-O 3.29Å; M324-I328 WeakPolarHBondContact CA-O 3.48Å; M324-I328 PolarHBondContact N-O 3.16Å; M324-L334 HydrophobicContact CB-CD2 3.84Å; M324-L334 HydrophobicContact CG-CD1 4.49Å; M324-L334 HydrophobicContact CG-CD2 3.99Å; M324-L334 HydrophobicContact SD-CD2 4.24Å; M324-V348 HydrophobicContact CG-CG1 3.81Å; M324-I455 HydrophobicContact CE-CG2 4.31Å; M324-I455 VanDerWaalsContact CE-O 3.28Å; M324-I455 WeakPolarHBondContact CE-O 3.32Å; M324-L457 HydrophobicContact CB-CD1 3.75Å; M324-L457 HydrophobicContact CB-CD2 3.88Å; M324-L457 HydrophobicContact CB-CG 3.64Å; M324-L457 HydrophobicContact CE-CD2 4.45Å; M324-L457 HydrophobicContact SD-CG 4.13Å
325	L	94.6	Very high	96	Very high	47 Å²	47	22.1 Å²	22.1	25%	0.246	11%	0.111	C	C	.	.	H	α-helix	trans	-59.4	-26.4	173.4	-76	175.3	0	0	0	112.9	H321 L322 L323 G327 L457	H321-L325 WeakPolarHBondContact O-CG 3.38Å; H321-L325 PolarHBondContact O-N 2.9Å; L322-L325 PolarHBondContact O-N 2.65Å; L323-L325 PolarHBondContact O-N 3.09Å; L325-G327 VanDerWaalsContact C-N 3.34Å; L325-L457 HydrophobicContact CD2-CD1 4.14Å; L325-L457 HydrophobicContact CD2-CD2 4.11Å; L325-L457 HydrophobicContact CG-CD2 3.98Å
326	S	95.7	Very high	95.7	Very high	7 Å²	7	25.4 Å²	25.4	5%	0.049	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	9.1	179.4	-50.6	0	0	0	0	113.3	I283 L322 L323 M324 W342	I283-S326 PolarHBondContact N-OG 3.45Å; L322-S326 WeakPolarHBondContact O-CB 3.4Å; L322-S326 PolarHBondContact O-N 3.3Å; L322-S326 PolarHBondContact O-OG 3.31Å; L323-S326 CarbonylContact O-C 3.57Å; L323-S326 WeakPolarHBondContact O-CA 3.16Å; L323-S326 PolarHBondContact O-N 3.24Å; M324-S326 PolarHBondContact O-N 2.97Å; S326-W342 PolarHBondContact O-NE1 3.42Å; S326-W342 VanDerWaalsContact O-NE1 3.09Å
327	G	95.1	Very high	95.4	Very high	2 Å²	2	27.2 Å²	27.2	2%	0.021	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	16.1	176.6	0	0	0	0	0	115.1	L323 M324 L325 A341 W342 H343	L323-G327 PolarHBondContact O-N 2.8Å; M324-G327 PolarHBondContact O-N 2.94Å; L325-G327 VanDerWaalsContact C-N 3.34Å; G327-A341 WeakPolarHBondContact O-CA 3.49Å; G327-W342 PolarHBondContact O-N 3.39Å; G327-W342 VanDerWaalsContact O-N 3.08Å; G327-H343 PolarHBondContact O-N 2.88Å
328	I	97.2	Very high	95	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.5	177.7	-60	166.6	0	0	0	109.6	F285 L323 M324 W342 H343 L345 V348 I578 L581	F285-I328 HydrophobicContact CE1-CD1 4.11Å; F285-I328 HydrophobicContact CE2-CD1 4.3Å; F285-I328 HydrophobicContact CZ-CD1 3.53Å; L323-I328 CarbonylContact C-O 3.6Å; L323-I328 HydrophobicContact CB-CB 4.28Å; L323-I328 HydrophobicContact CB-CG2 4.5Å; L323-I328 HydrophobicContact CD2-CB 4.5Å; L323-I328 HydrophobicContact CD2-CD1 4.05Å; L323-I328 HydrophobicContact CD2-CG2 4.5Å; L323-I328 PolarHBondContact O-N 3.48Å; M324-I328 VanDerWaalsContact CA-O 3.29Å; M324-I328 WeakPolarHBondContact CA-O 3.48Å; M324-I328 PolarHBondContact N-O 3.16Å; I328-W342 HydrophobicContact CD1-CZ2 4.49Å; I328-W342 HydrophobicContact CG1-CZ2 4.28Å; I328-H343 HydrophobicContact CG1-CB 4.1Å; I328-L345 HydrophobicContact CG2-CB 4.01Å; I328-L345 HydrophobicContact CG2-CD2 4.13Å; I328-V348 HydrophobicContact CG2-CG2 4.3Å; I328-I578 HydrophobicContact CD1-CD1 4.15Å; I328-I578 HydrophobicContact CD1-CG1 4.14Å; I328-L581 HydrophobicContact CD1-CD2 4.24Å
329	G	96	Very high	94.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162	-155.6	177.8	0	0	0	0	0	112.2	V331 H343 H344 L345	G329-V331 PolarHBondContact O-N 3.17Å; G329-H343 PolarHBondContact N-O 3.24Å; G329-H344 WeakPolarHBondContact O-CA 3.32Å; G329-L345 CarbonylContact C-O 3.59Å; G329-L345 WeakPolarHBondContact CA-O 3.48Å; G329-L345 PolarHBondContact O-N 3.01Å
330	D	94	Very high	94.3	Very high	15 Å²	15	35.6 Å²	35.6	8%	0.08	20%	0.2	C	C	.	.			trans	-67.9	104.7	169.2	-171.9	-55.4	0	0	0	110	D332 Y333 L334 P346 N561	D330-D332 VanDerWaalsContact C-N 3.29Å; D330-D332 PolarHBondContact O-N 2.79Å; D330-D332 WeakPolarHBondContact OD1-CB 3.05Å; D330-D332 PolarHBondContact OD1-N 2.76Å; D330-Y333 PolarHBondContact O-N 2.84Å; D330-Y333 PolarHBondContact OD1-N 3.39Å; D330-L334 WeakPolarHBondContact O-CB 3.28Å; D330-L334 VanDerWaalsContact O-CG 3.29Å; D330-L334 WeakPolarHBondContact O-CG 3.49Å; D330-L334 PolarHBondContact O-N 3.06Å; D330-P346 HydrophobicContact CB-CB 4.35Å; D330-N561 PolarHBondContact OD2-ND2 2.82Å
331	V	94	Very high	94	Very high	13 Å²	13	35.6 Å²	35.6	8%	0.079	20%	0.2	C	C	.	.	H	α-helix	trans	-56.5	-38.4	-178	166.6	0	0	0	0	113.2	G329 R335 A341 H344	G329-V331 PolarHBondContact O-N 3.17Å; V331-R335 HydrophobicContact CG1-CG 4.27Å; V331-R335 VanDerWaalsContact O-CB 3.27Å; V331-R335 WeakPolarHBondContact O-CB 3.27Å; V331-R335 VanDerWaalsContact O-CG 3.25Å; V331-R335 WeakPolarHBondContact O-CG 2.83Å; V331-R335 PolarHBondContact O-N 3.19Å; V331-A341 HydrophobicContact CB-CB 4.3Å; V331-A341 HydrophobicContact CG1-CB 4.39Å; V331-A341 HydrophobicContact CG2-CB 3.96Å; V331-H344 HydrophobicContact CB-CB 4.38Å; V331-H344 HydrophobicContact CG2-CB 3.7Å; V331-H344 PolarHBondContact N-ND1 3.23Å
332	D	92.2	Very high	93.8	Very high	119 Å²	119	37.3 Å²	37.3	64%	0.636	21%	0.206	S	C	*	.	H	α-helix	trans	-68	-46.3	-178.7	-65.5	-28.4	0	0	0	109.7	D330 S336	D330-D332 VanDerWaalsContact C-N 3.29Å; D330-D332 PolarHBondContact O-N 2.79Å; D330-D332 WeakPolarHBondContact OD1-CB 3.05Å; D330-D332 PolarHBondContact OD1-N 2.76Å; D332-S336 WeakPolarHBondContact O-CB 3.35Å; D332-S336 PolarHBondContact O-N 3Å
333	Y	91.7	Very high	93.8	Very high	48 Å²	48	37.6 Å²	37.6	19%	0.188	21%	0.207	C	C	.	.	H	α-helix	trans	-61.6	-52.1	175.7	176.7	-107	0	0	0	111.9	D330 R335 S336 I337 L456 L457	D330-Y333 PolarHBondContact O-N 2.84Å; D330-Y333 PolarHBondContact OD1-N 3.39Å; Y333-R335 PolarHBondContact O-N 3.4Å; Y333-S336 WeakPolarHBondContact O-CB 3.42Å; Y333-S336 PolarHBondContact O-N 2.88Å; Y333-S336 VanDerWaalsContact O-N 3.12Å; Y333-S336 PolarHBondContact O-OG 3.04Å; Y333-I337 HydrophobicContact CE1-CD1 3.91Å; Y333-I337 HydrophobicContact CE2-CG2 4.26Å; Y333-I337 PolarHBondContact O-N 3.29Å; Y333-L456 HydrophobicContact CD1-CD2 4.12Å; Y333-L456 HydrophobicContact CE1-CB 3.91Å; Y333-L456 HydrophobicContact CE1-CD1 4.35Å; Y333-L456 HydrophobicContact CE1-CD2 3.83Å; Y333-L456 HydrophobicContact CE1-CG 4.25Å; Y333-L456 HydrophobicContact CE2-CD1 4.21Å; Y333-L457 PolarHBondContact OH-O 2.74Å
334	L	93	Very high	93.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-41.6	-176.6	-69.8	179.9	0	0	0	112.1	M324 D330 I337 G338 I339 A341 L457	M324-L334 HydrophobicContact CB-CD2 3.84Å; M324-L334 HydrophobicContact CG-CD1 4.49Å; M324-L334 HydrophobicContact CG-CD2 3.99Å; M324-L334 HydrophobicContact SD-CD2 4.24Å; D330-L334 WeakPolarHBondContact O-CB 3.28Å; D330-L334 VanDerWaalsContact O-CG 3.29Å; D330-L334 WeakPolarHBondContact O-CG 3.49Å; D330-L334 PolarHBondContact O-N 3.06Å; L334-I337 HydrophobicContact CD2-CD1 4.48Å; L334-I337 WeakPolarHBondContact O-CG1 3.29Å; L334-I337 PolarHBondContact O-N 2.92Å; L334-G338 PolarHBondContact O-N 3.12Å; L334-I339 HydrophobicContact CB-CB 4.12Å; L334-I339 HydrophobicContact CB-CG2 4.34Å; L334-I339 WeakPolarHBondContact O-CB 3.16Å; L334-I339 PolarHBondContact O-N 2.75Å; L334-A341 HydrophobicContact CB-CB 3.52Å; L334-A341 HydrophobicContact CD1-CB 3.77Å; L334-A341 HydrophobicContact CG-CB 4.29Å; L334-L457 HydrophobicContact CD2-CD1 3.94Å; L334-L457 HydrophobicContact CD2-CG 4.39Å
335	R	93.6	Very high	93.7	Very high	128 Å²	128	40.8 Å²	40.8	48%	0.483	22%	0.222	S	C	.	.	H	α-helix	trans	-66.6	-36.6	175	-73.1	177.7	179.4	167.3	4.6	112.4	V331 Y333 I337 G338 A341	V331-R335 HydrophobicContact CG1-CG 4.27Å; V331-R335 VanDerWaalsContact O-CB 3.27Å; V331-R335 WeakPolarHBondContact O-CB 3.27Å; V331-R335 VanDerWaalsContact O-CG 3.25Å; V331-R335 WeakPolarHBondContact O-CG 2.83Å; V331-R335 PolarHBondContact O-N 3.19Å; Y333-R335 PolarHBondContact O-N 3.4Å; R335-I337 PolarHBondContact O-N 3.29Å; R335-I337 VanDerWaalsContact O-N 3.15Å; R335-G338 PolarHBondContact O-N 3.25Å; R335-A341 HydrophobicContact CG-CB 4.31Å; R335-A341 PolarHBondContact NE-O 3.36Å; R335-A341 PolarHBondContact NH2-O 2.77Å
336	S	91.9	Very high	93.7	Very high	90 Å²	90	38.6 Å²	38.6	63%	0.629	21%	0.211	S	C	*	.	H	α-helix	trans	-60.2	-24.5	177.5	80.1	0	0	0	0	113.1	D332 Y333	D332-S336 WeakPolarHBondContact O-CB 3.35Å; D332-S336 PolarHBondContact O-N 3Å; Y333-S336 WeakPolarHBondContact O-CB 3.42Å; Y333-S336 PolarHBondContact O-N 2.88Å; Y333-S336 VanDerWaalsContact O-N 3.12Å; Y333-S336 PolarHBondContact O-OG 3.04Å
337	I	91.7	Very high	93.7	Very high	43 Å²	43	38.4 Å²	38.4	22%	0.221	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	10.9	177.9	66.6	167.6	0	0	0	113.3	Y333 L334 R335 I339 L457 P459	Y333-I337 HydrophobicContact CE1-CD1 3.91Å; Y333-I337 HydrophobicContact CE2-CG2 4.26Å; Y333-I337 PolarHBondContact O-N 3.29Å; L334-I337 HydrophobicContact CD2-CD1 4.48Å; L334-I337 WeakPolarHBondContact O-CG1 3.29Å; L334-I337 PolarHBondContact O-N 2.92Å; R335-I337 PolarHBondContact O-N 3.29Å; R335-I337 VanDerWaalsContact O-N 3.15Å; I337-I339 HydrophobicContact CD1-CG1 4.21Å; I337-I339 HydrophobicContact CG1-CG1 4.12Å; I337-L457 HydrophobicContact CD1-CB 3.69Å; I337-L457 HydrophobicContact CD1-CD1 4.34Å; I337-P459 HydrophobicContact CB-CG 4Å; I337-P459 HydrophobicContact CG2-CG 3.62Å
338	G	90.4	Very high	93.8	Very high	67 Å²	67	38.5 Å²	38.5	69%	0.691	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.8	14.3	173.1	0	0	0	0	0	116	L334 R335	L334-G338 PolarHBondContact O-N 3.12Å; R335-G338 PolarHBondContact O-N 3.25Å
339	I	90.8	Very high	93.7	Very high	43 Å²	43	38.5 Å²	38.5	22%	0.221	21%	0.21	C	C	.	.			trans	-85.3	135.5	172.1	-60	-66	0	0	0	109.5	L334 I337 A341 L457	L334-I339 HydrophobicContact CB-CB 4.12Å; L334-I339 HydrophobicContact CB-CG2 4.34Å; L334-I339 WeakPolarHBondContact O-CB 3.16Å; L334-I339 PolarHBondContact O-N 2.75Å; I337-I339 HydrophobicContact CD1-CG1 4.21Å; I337-I339 HydrophobicContact CG1-CG1 4.12Å; I339-A341 PolarHBondContact O-N 3.31Å; I339-L457 HydrophobicContact CD1-CD1 4.08Å; I339-L457 HydrophobicContact CG1-CD1 3.83Å
340	D	90.5	Very high	93.6	Very high	95 Å²	95	38.8 Å²	38.8	51%	0.508	21%	0.211	S	C	.	.			trans	-74	76.3	174.2	-170.6	14.4	0	0	0	110.8
341	A	92.1	Very high	93.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.			trans	-79.9	123	178.1	0	0	0	0	0	111.3	G327 V331 L334 R335 I339	G327-A341 WeakPolarHBondContact O-CA 3.49Å; V331-A341 HydrophobicContact CB-CB 4.3Å; V331-A341 HydrophobicContact CG1-CB 4.39Å; V331-A341 HydrophobicContact CG2-CB 3.96Å; L334-A341 HydrophobicContact CB-CB 3.52Å; L334-A341 HydrophobicContact CD1-CB 3.77Å; L334-A341 HydrophobicContact CG-CB 4.29Å; R335-A341 HydrophobicContact CG-CB 4.31Å; R335-A341 PolarHBondContact NE-O 3.36Å; R335-A341 PolarHBondContact NH2-O 2.77Å; I339-A341 PolarHBondContact O-N 3.31Å
342	W	93.1	Very high	93.7	Very high	49 Å²	49	38 Å²	38	19%	0.186	21%	0.206	C	C	.	.			trans	-122.7	-18.2	-173.3	63.3	-90.4	0	0	0	112.9	F285 K288 S326 G327 I328 I578	F285-W342 HydrophobicContact CB-CZ2 4.31Å; F285-W342 AromaticContact CD1-CH2 3.98Å; F285-W342 HydrophobicContact CD1-CH2 3.98Å; F285-W342 AromaticContact CD1-CZ2 3.91Å; F285-W342 HydrophobicContact CD1-CZ2 3.91Å; F285-W342 AromaticContact CD2-CZ2 3.67Å; F285-W342 HydrophobicContact CD2-CZ2 3.67Å; F285-W342 HydrophobicContact CE1-CH2 4.33Å; F285-W342 HydrophobicContact CE1-CZ2 4.13Å; F285-W342 AromaticContact CE2-CZ2 3.88Å; F285-W342 HydrophobicContact CE2-CZ2 3.88Å; F285-W342 HydrophobicContact CG-CH2 4.09Å; F285-W342 AromaticContact CG-CZ2 3.68Å; F285-W342 HydrophobicContact CG-CZ2 3.68Å; F285-W342 HydrophobicContact CZ-CZ2 4.11Å; K288-W342 HydrophobicContact CG-CZ3 4.29Å; S326-W342 PolarHBondContact O-NE1 3.42Å; S326-W342 VanDerWaalsContact O-NE1 3.09Å; G327-W342 PolarHBondContact O-N 3.39Å; G327-W342 VanDerWaalsContact O-N 3.08Å; I328-W342 HydrophobicContact CD1-CZ2 4.49Å; I328-W342 HydrophobicContact CG1-CZ2 4.28Å; W342-I578 HydrophobicContact CH2-CD1 3.67Å; W342-I578 HydrophobicContact CZ2-CD1 4.5Å; W342-I578 HydrophobicContact CZ3-CD1 4.13Å
343	H	96.7	Very high	94	Very high	20 Å²	20	32.6 Å²	32.6	9%	0.093	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	113.7	174.3	-169.4	71	0	0	0	110.9	G327 I328 G329 L345 W576 G577 I578	G327-H343 PolarHBondContact O-N 2.88Å; I328-H343 HydrophobicContact CG1-CB 4.1Å; G329-H343 PolarHBondContact N-O 3.24Å; H343-L345 PolarHBondContact O-N 3.5Å; H343-W576 PolarHBondContact NE2-O 2.73Å; H343-G577 PolarHBondContact CE1-O 2.77Å; H343-I578 HydrophobicContact CB-CD1 4.25Å
344	H	95.7	Very high	94.3	Very high	67 Å²	67	31 Å²	31	31%	0.31	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	113.2	176.5	-170.3	72	0	0	0	110.1	G329 V331 P346	G329-H344 WeakPolarHBondContact O-CA 3.32Å; V331-H344 HydrophobicContact CB-CB 4.38Å; V331-H344 HydrophobicContact CG2-CB 3.7Å; V331-H344 PolarHBondContact N-ND1 3.23Å; H344-P346 WeakPolarHBondContact NE2-CG 3.27Å
345	L	96.6	Very high	94.5	Very high	3 Å²	3	31 Å²	31	2%	0.016	17%	0.172	C	C	.	.			trans	-142.8	81.2	173.2	-168.7	58.3	0	0	0	108.5	I328 G329 H343 G347 V348 P543 V568 V575 W576	I328-L345 HydrophobicContact CG2-CB 4.01Å; I328-L345 HydrophobicContact CG2-CD2 4.13Å; G329-L345 CarbonylContact C-O 3.59Å; G329-L345 WeakPolarHBondContact CA-O 3.48Å; G329-L345 PolarHBondContact O-N 3.01Å; H343-L345 PolarHBondContact O-N 3.5Å; L345-G347 PolarHBondContact O-N 3.28Å; L345-G347 VanDerWaalsContact O-N 3.13Å; L345-V348 HydrophobicContact CB-CG2 4.13Å; L345-V348 HydrophobicContact CD2-CG2 4.02Å; L345-V348 HydrophobicContact CG-CG2 4Å; L345-V348 WeakPolarHBondContact O-CG2 3.33Å; L345-V348 PolarHBondContact O-N 3.35Å; L345-V348 VanDerWaalsContact O-N 3.14Å; L345-P543 HydrophobicContact CD1-CB 3.83Å; L345-V568 HydrophobicContact CD2-CB 4.35Å; L345-V568 HydrophobicContact CD2-CG1 3.8Å; L345-V568 HydrophobicContact CG-CG2 4.48Å; L345-V575 HydrophobicContact CD2-CG1 3.65Å; L345-W576 HydrophobicContact CD1-CB 3.97Å
346	P	94.8	Very high	94.7	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.013	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.6	-162.8	30.7	-37.4	0	0	0	113.8	D330 H344 V348 Q350 R563	D330-P346 HydrophobicContact CB-CB 4.35Å; H344-P346 WeakPolarHBondContact NE2-CG 3.27Å; P346-V348 VanDerWaalsContact C-N 3.25Å; P346-V348 PolarHBondContact O-N 2.51Å; P346-Q350 WeakPolarHBondContact O-CG 3.18Å; P346-R563 HydrophobicContact CB-CB 4.35Å; P346-R563 HydrophobicContact CB-CG 3.57Å; P346-R563 HydrophobicContact CG-CB 4.28Å; P346-R563 HydrophobicContact CG-CG 3.64Å
347	G	95.6	Very high	94.9	Very high	3 Å²	3	21.9 Å²	21.9	3%	0.031	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-15.6	171.8	0	0	0	0	0	114.1	L345 G349 Q350 V568	L345-G347 PolarHBondContact O-N 3.28Å; L345-G347 VanDerWaalsContact O-N 3.13Å; G347-G349 PolarHBondContact O-N 2.98Å; G347-Q350 PolarHBondContact O-N 3.25Å; G347-V568 WeakPolarHBondContact O-CG2 3.1Å
348	V	97.3	Very high	95.2	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.018	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	120.7	-177.4	175.7	0	0	0	0	110.6	P320 L323 M324 I328 L345 P346 Q350 V568	P320-V348 HydrophobicContact CB-CG1 3.83Å; L323-V348 HydrophobicContact CB-CG1 3.86Å; L323-V348 HydrophobicContact CD1-CG1 4.03Å; L323-V348 HydrophobicContact CD1-CG2 3.89Å; M324-V348 HydrophobicContact CG-CG1 3.81Å; I328-V348 HydrophobicContact CG2-CG2 4.3Å; L345-V348 HydrophobicContact CB-CG2 4.13Å; L345-V348 HydrophobicContact CD2-CG2 4.02Å; L345-V348 HydrophobicContact CG-CG2 4Å; L345-V348 WeakPolarHBondContact O-CG2 3.33Å; L345-V348 PolarHBondContact O-N 3.35Å; L345-V348 VanDerWaalsContact O-N 3.14Å; P346-V348 VanDerWaalsContact C-N 3.25Å; P346-V348 PolarHBondContact O-N 2.51Å; V348-Q350 PolarHBondContact O-N 3.15Å; V348-V568 HydrophobicContact CB-CG2 4.47Å; V348-V568 HydrophobicContact CG2-CG1 3.85Å; V348-V568 HydrophobicContact CG2-CG2 3.89Å
349	G	95.8	Very high	95.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	-10	-179.1	0	0	0	0	0	114	G347 Q454 I455 T536	G347-G349 PolarHBondContact O-N 2.98Å; G349-Q454 CarbonylContact O-C 3.58Å; G349-Q454 WeakPolarHBondContact O-CA 3.44Å; G349-I455 WeakPolarHBondContact CA-O 2.9Å; G349-I455 PolarHBondContact O-N 2.81Å; G349-T536 WeakPolarHBondContact CA-O 3.33Å; G349-T536 PolarHBondContact N-O 2.79Å
350	Q	94.5	Very high	95.8	Very high	6 Å²	6	16.2 Å²	16.2	3%	0.028	8%	0.077	C	C	.	.			trans	-84	173.3	-179.4	-59	-58	-43.2	0	0	111.6	P346 G347 V348 L352 T536	P346-Q350 WeakPolarHBondContact O-CG 3.18Å; G347-Q350 PolarHBondContact O-N 3.25Å; V348-Q350 PolarHBondContact O-N 3.15Å; Q350-L352 PolarHBondContact O-N 2.89Å; Q350-T536 VanDerWaalsContact O-CA 3.27Å; Q350-T536 WeakPolarHBondContact O-CA 3.4Å
351	N	94.1	Very high	96.2	Very high	10 Å²	10	12.3 Å²	12.3	5%	0.053	6%	0.056	C	C	.	.	S	Bend	trans	58.9	30.8	177.7	-175.4	51.2	0	0	0	113.1	Q353 R452 G453 C535 Y558 P590	N351-Q353 PolarHBondContact O-N 2.99Å; N351-Q353 PolarHBondContact OD1-NE2 2.74Å; N351-R452 VanDerWaalsContact OD1-CD 3.29Å; N351-R452 WeakPolarHBondContact OD1-CD 3.46Å; N351-R452 PolarHBondContact OD1-NE 2.81Å; N351-G453 PolarHBondContact N-O 2.93Å; N351-C535 WeakPolarHBondContact ND2-CB 3.22Å; N351-C535 PolarHBondContact ND2-O 3.25Å; N351-C535 VanDerWaalsContact O-CB 3.25Å; N351-C535 WeakPolarHBondContact O-CB 3.25Å; N351-Y558 HydrophobicContact CB-CE1 4.31Å; N351-Y558 PolarHBondContact OD1-OH 3.46Å; N351-P590 PolarHBondContact ND2-O 2.87Å; N351-P590 VanDerWaalsContact ND2-O 3.13Å
352	L	96.3	Very high	96.5	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-61.2	123.7	174.7	174.7	63.7	0	0	0	109	W139 Q350 G453 I455 I468 P470 P533 T536	W139-L352 HydrophobicContact CH2-CD1 4.36Å; W139-L352 HydrophobicContact CH2-CD2 3.93Å; W139-L352 HydrophobicContact CH2-CG 4.42Å; W139-L352 HydrophobicContact CZ3-CD1 4.46Å; W139-L352 HydrophobicContact CZ3-CD2 4.25Å; Q350-L352 PolarHBondContact O-N 2.89Å; L352-G453 VanDerWaalsContact CB-C 3.42Å; L352-G453 PolarHBondContact N-O 3.34Å; L352-G453 PolarHBondContact O-N 3.09Å; L352-I455 HydrophobicContact CD1-CD1 4.39Å; L352-I455 HydrophobicContact CD1-CG1 4.44Å; L352-I455 HydrophobicContact CD2-CD1 3.75Å; L352-I455 HydrophobicContact CD2-CG1 4.2Å; L352-I468 HydrophobicContact CD2-CG2 4.37Å; L352-P470 HydrophobicContact CD2-CB 4.36Å; L352-P533 HydrophobicContact CD1-CB 3.83Å; L352-T536 HydrophobicContact CB-CG2 3.86Å; L352-T536 HydrophobicContact CD1-CG2 3.58Å; L352-T536 HydrophobicContact CG-CG2 4.29Å
353	Q	96.9	Very high	96.7	Very high	7 Å²	7	11.6 Å²	11.6	3%	0.033	6%	0.057	C	C	.	.	B	Isolated β-bridge	trans	-124.1	140.8	175.9	-69.1	175	50.4	0	0	109	N351 R452 P533 S534 C535 I592	N351-Q353 PolarHBondContact O-N 2.99Å; N351-Q353 PolarHBondContact OD1-NE2 2.74Å; Q353-R452 VanDerWaalsContact CD-NE 3.27Å; Q353-R452 VanDerWaalsContact CG-CD 3.43Å; Q353-P533 CarbonylContact O-C 3.52Å; Q353-P533 VanDerWaalsContact O-CA 3.27Å; Q353-P533 WeakPolarHBondContact O-CA 3.22Å; Q353-S534 PolarHBondContact N-O 3.13Å; Q353-S534 PolarHBondContact O-N 2.94Å; Q353-S534 PolarHBondContact O-OG 3.26Å; Q353-C535 HydrophobicContact CB-CB 4.43Å; Q353-C535 HydrophobicContact CG-CB 4.44Å; Q353-I592 HydrophobicContact CB-CB 4.01Å; Q353-I592 HydrophobicContact CB-CG2 4.17Å
354	D	97.9	Very high	96.8	Very high	13 Å²	13	11.2 Å²	11.2	7%	0.07	6%	0.057	C	C	.	.			trans	-147.7	155.1	177.4	-179.6	49.7	0	0	0	109.8	W139 Y472 S529 H532 P533	W139-D354 HydrophobicContact CH2-CB 4.38Å; W139-D354 HydrophobicContact CZ2-CB 4.36Å; D354-Y472 HydrophobicContact CB-CE1 4.12Å; D354-Y472 PolarHBondContact OD2-OH 2.98Å; D354-S529 PolarHBondContact OD1-OG 2.73Å; D354-S529 WeakPolarHBondContact OD2-CB 3.44Å; D354-S529 PolarHBondContact OD2-OG 3.16Å; D354-H532 WeakPolarHBondContact OD1-CA 3.43Å; D354-H532 PolarHBondContact OD1-N 3.05Å; D354-P533 VanDerWaalsContact OD1-N 3.15Å
355	H	97.9	Very high	96.9	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	7%	0.067	C	C	.	.			trans	-84.8	119.8	171.7	-67.1	151.5	0	0	0	109.5	M447 A530 H532 I592 V593 G595	H355-M447 HydrophobicContact CB-CE 3.91Å; H355-M447 VanDerWaalsContact CD2-CA 3.46Å; H355-M447 WeakPolarHBondContact CD2-CA 3.45Å; H355-M447 PolarHBondContact CD2-O 3.26Å; H355-M447 PolarHBondContact NE2-O 3.12Å; H355-A530 HydrophobicContact CB-CB 3.87Å; H355-A530 WeakPolarHBondContact O-CB 3.41Å; H355-A530 PolarHBondContact O-N 2.85Å; H355-H532 HydrophobicContact CB-CB 4.27Å; H355-H532 AromaticContact ND1-CG 3.81Å; H355-H532 AromaticContact ND1-ND1 3.33Å; H355-H532 PolarHBondContact ND1-ND1 3.28Å; H355-I592 VanDerWaalsContact NE2-CD1 3.35Å; H355-I592 WeakPolarHBondContact NE2-CD1 3.43Å; H355-I592 WeakPolarHBondContact NE2-CG1 3.26Å; H355-V593 PolarHBondContact CE1-O 2.59Å; H355-V593 PolarHBondContact NE2-O 2.91Å; H355-G595 PolarHBondContact CE1-O 3.11Å
356	L	97.6	Very high	96.9	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.021	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	136.5	168.4	-170.5	76.1	0	0	0	108.4	M132 M137 G445 Y472 L473 M482 D528	M132-L356 HydrophobicContact CE-CD1 4.13Å; M132-L356 HydrophobicContact CE-CD2 4.22Å; M132-L356 HydrophobicContact SD-CD2 4.37Å; M137-L356 HydrophobicContact CE-CD1 4.25Å; L356-G445 WeakPolarHBondContact O-CA 3.41Å; L356-Y472 HydrophobicContact CB-CD1 4.09Å; L356-Y472 HydrophobicContact CB-CE1 4.16Å; L356-Y472 HydrophobicContact CD1-CD1 3.88Å; L356-Y472 HydrophobicContact CD1-CD2 4.1Å; L356-Y472 HydrophobicContact CD1-CE1 3.95Å; L356-Y472 HydrophobicContact CD1-CE2 4.15Å; L356-Y472 HydrophobicContact CD1-CG 3.93Å; L356-Y472 HydrophobicContact CG-CD1 4.39Å; L356-L473 HydrophobicContact CD2-CD1 4.4Å; L356-L473 HydrophobicContact CD2-CD2 3.67Å; L356-L473 HydrophobicContact CD2-CG 3.92Å; L356-M482 HydrophobicContact CD2-CE 4.14Å; L356-M482 HydrophobicContact CG-CE 4.42Å; L356-D528 WeakPolarHBondContact CD1-O 3.47Å
357	E	97	Very high	96.9	Very high	22 Å²	22	20.8 Å²	20.8	10%	0.103	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	163.7	176.8	60.4	-178.4	-172.5	0	0	111.3	Y359 H443 V444 G527 D528 A530	E357-Y359 HydrophobicContact CG-CE1 4.46Å; E357-H443 IonicContact OE1-ND1 3.92Å; E357-H443 IonicContact OE2-ND1 2.92Å; E357-V444 CarbonylContact C-O 3.58Å; E357-V444 VanDerWaalsContact CA-O 3.31Å; E357-V444 WeakPolarHBondContact CA-O 3.43Å; E357-G527 CarbonylContact O-C 3.44Å; E357-G527 WeakPolarHBondContact O-CA 3.28Å; E357-D528 PolarHBondContact N-O 3.34Å; E357-D528 PolarHBondContact O-N 3.25Å; E357-D528 VanDerWaalsContact O-O 3.1Å; E357-A530 HydrophobicContact CB-CB 4.45Å; E357-A530 VanDerWaalsContact CD-CB 3.43Å; E357-A530 HydrophobicContact CG-CB 3.83Å; E357-A530 WeakPolarHBondContact OE1-CA 3.4Å
358	L	96.8	Very high	96.9	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	171.1	167	63.5	76.3	0	0	0	110	V360 H443 V444 M482 I486 F522 V523	L358-V360 HydrophobicContact CD1-CG2 3.56Å; L358-H443 WeakPolarHBondContact O-CA 3.1Å; L358-V444 HydrophobicContact CD1-CG1 3.73Å; L358-V444 HydrophobicContact CG-CG1 4.32Å; L358-V444 PolarHBondContact N-O 2.97Å; L358-V444 PolarHBondContact O-N 3.13Å; L358-M482 HydrophobicContact CB-CE 4.04Å; L358-M482 HydrophobicContact CD2-CE 3.45Å; L358-M482 VanDerWaalsContact CD2-CE 3.45Å; L358-M482 HydrophobicContact CG-CE 3.8Å; L358-I486 HydrophobicContact CD1-CG1 3.92Å; L358-I486 HydrophobicContact CD2-CD1 3.62Å; L358-I486 HydrophobicContact CD2-CG1 3.62Å; L358-I486 HydrophobicContact CG-CG1 4.41Å; L358-F522 HydrophobicContact CD1-CE1 4.42Å; L358-F522 HydrophobicContact CD2-CD1 4.36Å; L358-F522 HydrophobicContact CD2-CE1 4.27Å; L358-V523 HydrophobicContact CD2-CG2 3.68Å
359	Y	97.1	Very high	96.8	Very high	33 Å²	33	23.1 Å²	23.1	13%	0.129	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	117.8	178.6	-48.8	-34.3	0	0	0	110.4	E357 I427 V442 H443	E357-Y359 HydrophobicContact CG-CE1 4.46Å; Y359-I427 HydrophobicContact CD2-CB 4.3Å; Y359-I427 WeakPolarHBondContact CD2-O 3.22Å; Y359-I427 HydrophobicContact CE2-CB 3.9Å; Y359-I427 HydrophobicContact CE2-CG2 3.84Å; Y359-V442 WeakPolarHBondContact CA-O 3.3Å; Y359-H443 HydrophobicContact CD1-CB 4.11Å; Y359-H443 AromaticContact CD1-CD2 3.73Å; Y359-H443 AromaticContact CD1-CG 3.62Å; Y359-H443 AromaticContact CD1-ND1 3.87Å; Y359-H443 HydrophobicContact CE1-CB 4.13Å; Y359-H443 AromaticContact CE1-CD2 3.84Å; Y359-H443 AromaticContact CE1-CE1 3.41Å; Y359-H443 VanDerWaalsContact CE1-CE1 3.41Å; Y359-H443 WeakPolarHBondContact CE1-CE1 3.46Å; Y359-H443 AromaticContact CE1-CG 3.46Å; Y359-H443 VanDerWaalsContact CE1-CG 3.46Å; Y359-H443 AromaticContact CE1-ND1 3.21Å; Y359-H443 WeakPolarHBondContact CE1-ND1 3.26Å; Y359-H443 AromaticContact CE1-NE2 3.82Å; Y359-H443 AromaticContact CZ-CE1 3.87Å
360	V	98.2	Very high	96.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	118.1	164.4	-174.3	0	0	0	0	107.3	L358 Q441 V442 V444 I486 F493 A508	L358-V360 HydrophobicContact CD1-CG2 3.56Å; V360-Q441 CarbonylContact O-C 3.57Å; V360-Q441 WeakPolarHBondContact O-CA 3.46Å; V360-Q441 WeakPolarHBondContact O-CB 3.35Å; V360-V442 HydrophobicContact CB-CG1 4.02Å; V360-V442 PolarHBondContact N-O 3.04Å; V360-V442 VanDerWaalsContact N-O 3.09Å; V360-V442 PolarHBondContact O-N 2.84Å; V360-V444 HydrophobicContact CG2-CG1 4.23Å; V360-I486 HydrophobicContact CG2-CG1 4.43Å; V360-I486 HydrophobicContact CG2-CG2 4.45Å; V360-F493 HydrophobicContact CB-CE2 4.38Å; V360-F493 HydrophobicContact CG1-CD2 4.26Å; V360-F493 HydrophobicContact CG1-CE2 3.97Å; V360-A508 CarbonylContact C-O 3.54Å; V360-A508 WeakPolarHBondContact CA-O 3.19Å
361	Q	98	Very high	96.7	Very high	13 Å²	13	24.7 Å²	24.7	6%	0.061	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.2	-168.4	-61	-173.9	-11.6	0	0	111.3	T426 I427 H428 Q441 L507 A508	Q361-T426 HydrophobicContact CB-CG2 4.31Å; Q361-T426 HydrophobicContact CG-CG2 4.14Å; Q361-I427 PolarHBondContact NE2-O 3.22Å; Q361-H428 PolarHBondContact OE1-CE1 3.44Å; Q361-H428 VanDerWaalsContact OE1-CE1 3.3Å; Q361-Q441 HydrophobicContact CB-CB 4.35Å; Q361-Q441 HydrophobicContact CG-CB 3.77Å; Q361-L507 HydrophobicContact CB-CB 3.97Å; Q361-L507 PolarHBondContact O-N 3.25Å; Q361-A508 HydrophobicContact CB-CB 4.06Å; Q361-A508 HydrophobicContact CG-CB 4.11Å; Q361-A508 PolarHBondContact N-O 3.06Å; Q361-A508 PolarHBondContact O-N 3.5Å
362	Q	98	Very high	96.5	Very high	23 Å²	23	27.7 Å²	27.7	11%	0.107	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136	174.6	-150	81.2	18.7	0	0	110.2	A439 F440 F493 A503 G504 E506	Q362-A439 CarbonylContact O-C 3.6Å; Q362-A439 WeakPolarHBondContact O-CA 3.35Å; Q362-A439 VanDerWaalsContact O-CB 3.23Å; Q362-A439 WeakPolarHBondContact O-CB 3.18Å; Q362-F440 HydrophobicContact CB-CD2 4.12Å; Q362-F440 HydrophobicContact CB-CE1 4.36Å; Q362-F440 HydrophobicContact CB-CE2 3.56Å; Q362-F440 HydrophobicContact CB-CZ 3.71Å; Q362-F440 HydrophobicContact CG-CE2 4.35Å; Q362-F440 HydrophobicContact CG-CZ 4.11Å; Q362-F440 PolarHBondContact N-O 3.34Å; Q362-F440 PolarHBondContact O-N 2.85Å; Q362-F493 HydrophobicContact CB-CD2 4.33Å; Q362-F493 HydrophobicContact CB-CE2 4.32Å; Q362-A503 HydrophobicContact CG-CB 3.89Å; Q362-G504 PolarHBondContact NE2-O 3.02Å; Q362-E506 VanDerWaalsContact NE2-N 3.16Å
363	A	98.2	Very high	96.3	Very high	12 Å²	12	28.9 Å²	28.9	10%	0.099	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	148.9	163.9	0	0	0	0	0	109.4	G504 K505 L507	A363-G504 WeakPolarHBondContact O-CA 3.15Å; A363-G504 PolarHBondContact O-N 3.21Å; A363-K505 WeakPolarHBondContact CB-O 3.44Å; A363-K505 PolarHBondContact N-O 3.16Å; A363-L507 HydrophobicContact CB-CD1 4.28Å; A363-L507 HydrophobicContact CB-CD2 4.24Å; A363-L507 HydrophobicContact CB-CG 4.29Å
364	C	98.4	Very high	95.9	Very high	12 Å²	12	29.3 Å²	29.3	8%	0.081	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.3	177.1	-169.8	0	0	0	0	109.4	K366 T369 H438 F440 F502	C364-K366 PolarHBondContact O-N 3.44Å; C364-K366 PolarHBondContact SG-O 3.43Å; C364-T369 HydrophobicContact CB-CG2 3.53Å; C364-H438 HydrophobicContact CB-CB 4.27Å; C364-H438 PolarHBondContact N-O 3.28Å; C364-F440 HydrophobicContact CB-CD1 3.9Å; C364-F440 HydrophobicContact CB-CE1 4.22Å; C364-F502 CarbonylContact C-O 3.56Å; C364-F502 WeakPolarHBondContact CA-O 3.42Å
365	K	98.1	Very high	95.4	Very high	121 Å²	121	36.1 Å²	36.1	53%	0.526	17%	0.172	S	C	.	.	S	Bend	trans	-59.3	-26.5	176.7	-71.2	168.6	169.2	159.9	0	112.7	A499 K500 F502 A503	K365-A499 PolarHBondContact NZ-O 2.88Å; K365-K500 PolarHBondContact NZ-O 2.71Å; K365-F502 PolarHBondContact N-O 3.41Å; K365-A503 WeakPolarHBondContact CD-O 3.49Å; K365-A503 WeakPolarHBondContact CE-O 3.32Å; K365-A503 PolarHBondContact NZ-O 2.87Å
366	K	97	Very high	95	Very high	81 Å²	81	42.7 Å²	42.7	35%	0.352	20%	0.2	S	C	.	.	S	Bend	trans	-110.1	142.9	-176.5	-67.1	-168.3	175	-171	0	112	C364 I368 E501 F502	C364-K366 PolarHBondContact O-N 3.44Å; C364-K366 PolarHBondContact SG-O 3.43Å; K366-I368 HydrophobicContact CB-CD1 4.25Å; K366-I368 HydrophobicContact CB-CG1 4.03Å; K366-I368 HydrophobicContact CB-CG2 4.19Å; K366-I368 PolarHBondContact O-N 2.74Å; K366-E501 HydrophobicContact CD-CG 4.16Å; K366-E501 VanDerWaalsContact CE-CG 3.44Å; K366-E501 WeakPolarHBondContact CE-OE1 3.46Å; K366-E501 VanDerWaalsContact NZ-CD 3.31Å; K366-E501 IonicContact NZ-OE1 3.27Å; K366-E501 PolarHBondContact NZ-OE1 2.8Å; K366-F502 HydrophobicContact CD-CD1 4.23Å; K366-F502 HydrophobicContact CD-CE1 4.02Å
367	P	95.2	Very high	94.7	Very high	71 Å²	71	45.6 Å²	45.6	46%	0.461	21%	0.211	S	C	.	.	S	Bend	trans	-82.7	53.3	-177.8	36.8	-38.6	0	0	0	112.5	K372 H438	P367-K372 WeakPolarHBondContact O-CE 3.49Å; P367-K372 PolarHBondContact O-NZ 2.98Å; P367-H438 VanDerWaalsContact C-CE1 3.44Å; P367-H438 VanDerWaalsContact CA-CE1 3.5Å; P367-H438 WeakPolarHBondContact CA-CE1 3.31Å; P367-H438 WeakPolarHBondContact CA-NE2 3.34Å; P367-H438 WeakPolarHBondContact CB-NE2 3.2Å
368	I	94.6	Very high	94.5	Very high	54 Å²	54	47.4 Å²	47.4	28%	0.277	23%	0.225	S	C	.	.			trans	-113.4	-1.2	-172.5	61.8	171.8	0	0	0	113.7	H213 L215 K366 F502	H213-I368 PolarHBondContact CE1-O 2.79Å; H213-I368 VanDerWaalsContact CE1-O 3.31Å; H213-I368 PolarHBondContact NE2-O 3.17Å; L215-I368 HydrophobicContact CD1-CD1 4.32Å; L215-I368 HydrophobicContact CD1-CG1 4.33Å; L215-I368 HydrophobicContact CD2-CD1 4.27Å; L215-I368 HydrophobicContact CG-CD1 3.94Å; L215-I368 HydrophobicContact CG-CG1 4.49Å; K366-I368 HydrophobicContact CB-CD1 4.25Å; K366-I368 HydrophobicContact CB-CG1 4.03Å; K366-I368 HydrophobicContact CB-CG2 4.19Å; K366-I368 PolarHBondContact O-N 2.74Å; I368-F502 HydrophobicContact CD1-CD1 3.8Å; I368-F502 HydrophobicContact CD1-CE1 3.58Å
369	T	95.8	Very high	94.4	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.006	26%	0.255	C	S	.	.	S	Bend	trans	-84.7	173.5	-176.4	78.9	0	0	0	0	112.3	L215 C364 Y371 P424 H438 A439	L215-T369 HydrophobicContact CD1-CG2 4.03Å; C364-T369 HydrophobicContact CB-CG2 3.53Å; T369-Y371 PolarHBondContact O-N 2.8Å; T369-Y371 WeakPolarHBondContact OG1-CB 3.27Å; T369-Y371 PolarHBondContact OG1-N 3.36Å; T369-P424 VanDerWaalsContact CB-O 3.3Å; T369-P424 WeakPolarHBondContact CB-O 3.49Å; T369-H438 HydrophobicContact CG2-CB 4.3Å; T369-H438 WeakPolarHBondContact OG1-CA 3.28Å; T369-H438 PolarHBondContact OG1-ND1 3.08Å; T369-A439 WeakPolarHBondContact CB-O 3.17Å; T369-A439 WeakPolarHBondContact CG2-O 3.13Å
370	L	93.1	Very high	94.2	Very high	18 Å²	18	54.5 Å²	54.5	9%	0.094	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-68.4	0	176.8	-58.4	176.3	0	0	0	114.3	K372 A373 W395 H400 P424	L370-K372 PolarHBondContact O-N 3.19Å; L370-K372 VanDerWaalsContact O-N 3.12Å; L370-A373 WeakPolarHBondContact O-CA 3.48Å; L370-A373 WeakPolarHBondContact O-CB 3.27Å; L370-A373 PolarHBondContact O-N 3.25Å; L370-W395 HydrophobicContact CD2-CD2 4.44Å; L370-W395 HydrophobicContact CD2-CE3 4.06Å; L370-W395 HydrophobicContact CD2-CZ3 4.25Å; L370-H400 HydrophobicContact CD1-CB 3.71Å; L370-H400 VanDerWaalsContact CD1-CG 3.45Å; L370-P424 HydrophobicContact CD1-CG 4.39Å; L370-P424 HydrophobicContact CG-CG 4.38Å; L370-P424 PolarHBondContact N-O 2.85Å
371	Y	93.7	Very high	94	Very high	21 Å²	21	56.4 Å²	56.4	8%	0.082	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-55.1	-28.9	173.4	178.7	-107.3	0	0	0	113.3	T369 A373 Q374 K376 Y377 G435 D436 Q437 H438	T369-Y371 PolarHBondContact O-N 2.8Å; T369-Y371 WeakPolarHBondContact OG1-CB 3.27Å; T369-Y371 PolarHBondContact OG1-N 3.36Å; Y371-A373 VanDerWaalsContact C-N 3.33Å; Y371-Q374 VanDerWaalsContact CD2-NE2 3.3Å; Y371-Q374 WeakPolarHBondContact O-CG 3.46Å; Y371-K376 PolarHBondContact OH-NZ 3.29Å; Y371-Y377 HydrophobicContact CD1-CE2 4.44Å; Y371-Y377 HydrophobicContact CE1-CE2 4.18Å; Y371-G435 WeakPolarHBondContact CE2-O 3.49Å; Y371-D436 VanDerWaalsContact CE2-O 3.24Å; Y371-D436 WeakPolarHBondContact CE2-O 3.47Å; Y371-D436 PolarHBondContact OH-O 2.84Å; Y371-Q437 VanDerWaalsContact CD2-C 3.46Å; Y371-Q437 VanDerWaalsContact CD2-O 3.28Å; Y371-Q437 WeakPolarHBondContact CD2-O 3.43Å; Y371-Q437 VanDerWaalsContact CE2-N 3.28Å; Y371-H438 AromaticContact CD1-CD2 3.75Å; Y371-H438 AromaticContact CD1-CE1 3.98Å; Y371-H438 AromaticContact CD1-NE2 3.76Å
372	K	91.4	Very high	93.9	Very high	73 Å²	73	60.1 Å²	60.1	32%	0.317	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-74.7	-20	174.1	-76.6	170.5	178.5	176.3	0	113.7	P367 L370 Q374 Y377 I380	P367-K372 WeakPolarHBondContact O-CE 3.49Å; P367-K372 PolarHBondContact O-NZ 2.98Å; L370-K372 PolarHBondContact O-N 3.19Å; L370-K372 VanDerWaalsContact O-N 3.12Å; K372-Q374 PolarHBondContact O-N 3.04Å; K372-Q374 VanDerWaalsContact O-N 3.09Å; K372-Y377 WeakPolarHBondContact O-CD2 3.28Å; K372-I380 HydrophobicContact CB-CD1 4Å; K372-I380 HydrophobicContact CG-CD1 4.44Å; K372-I380 WeakPolarHBondContact O-CG2 3.37Å
373	A	90.5	Very high	93.8	Very high	26 Å²	26	60.8 Å²	60.8	22%	0.215	30%	0.302	C	S	.	.	S	Bend	trans	-86.4	56.9	178.1	0	0	0	0	0	110.8	L370 Y371 M381 I384 W395	L370-A373 WeakPolarHBondContact O-CA 3.48Å; L370-A373 WeakPolarHBondContact O-CB 3.27Å; L370-A373 PolarHBondContact O-N 3.25Å; Y371-A373 VanDerWaalsContact C-N 3.33Å; A373-M381 HydrophobicContact CB-SD 4.37Å; A373-I384 HydrophobicContact CB-CD1 3.64Å; A373-W395 HydrophobicContact CB-CE3 4.04Å; A373-W395 HydrophobicContact CB-CZ3 4.13Å
374	Q	89	Confident	93.6	Very high	15 Å²	15	61.6 Å²	61.6	7%	0.07	30%	0.304	C	S	.	.	S	Bend	trans	-135.1	155.7	-178.7	-59.4	-178.7	1.9	0	0	110.3	Y371 K372 K376 Y377 M381 M434 G435	Y371-Q374 VanDerWaalsContact CD2-NE2 3.3Å; Y371-Q374 WeakPolarHBondContact O-CG 3.46Å; K372-Q374 PolarHBondContact O-N 3.04Å; K372-Q374 VanDerWaalsContact O-N 3.09Å; Q374-K376 PolarHBondContact O-N 2.83Å; Q374-Y377 CarbonylContact O-C 3.48Å; Q374-Y377 WeakPolarHBondContact O-CA 3.4Å; Q374-Y377 PolarHBondContact O-N 2.97Å; Q374-M381 WeakPolarHBondContact O-CG 3.37Å; Q374-M434 HydrophobicContact CB-CE 4.2Å; Q374-M434 VanDerWaalsContact CD-SD 3.56Å; Q374-M434 HydrophobicContact CG-CE 3.79Å; Q374-M434 HydrophobicContact CG-CG 3.8Å; Q374-M434 HydrophobicContact CG-SD 3.62Å; Q374-M434 PolarHBondContact NE2-SD 3.46Å; Q374-M434 VanDerWaalsContact NE2-SD 3.38Å; Q374-M434 VanDerWaalsContact OE1-CG 3.31Å; Q374-G435 PolarHBondContact NE2-O 3.23Å
375	W	88.2	Confident	93.4	Very high	157 Å²	157	61.9 Å²	61.9	60%	0.595	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-14.6	179.7	-79	107.4	0	0	0	114.5	Y377 P378 M381 I382	W375-Y377 PolarHBondContact O-N 3.29Å; W375-P378 HydrophobicContact CE3-CB 4.31Å; W375-P378 WeakPolarHBondContact O-CD 3.18Å; W375-M381 HydrophobicContact CD2-CB 4.45Å; W375-M381 HydrophobicContact CD2-CG 4.47Å; W375-M381 HydrophobicContact CE3-CB 4.32Å; W375-M381 HydrophobicContact CZ3-CB 4.43Å; W375-I382 HydrophobicContact CZ3-CG1 4.45Å
376	K	88.7	Confident	93.3	Very high	139 Å²	139	60.2 Å²	60.2	60%	0.604	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.1	165	-174.5	176.3	177.7	-179.3	0	112.6	Y371 Q374 P378	Y371-K376 PolarHBondContact OH-NZ 3.29Å; Q374-K376 PolarHBondContact O-N 2.83Å; K376-P378 WeakPolarHBondContact O-CD 3.17Å
377	Y	92	Very high	93.3	Very high	64 Å²	64	61.8 Å²	61.8	25%	0.251	31%	0.312	S	S	.	.	S	Bend	trans	-119.3	71.6	175.6	-52.6	-75.8	0	0	0	109.9	Y371 K372 Q374 W375 H379 I380 M381	Y371-Y377 HydrophobicContact CD1-CE2 4.44Å; Y371-Y377 HydrophobicContact CE1-CE2 4.18Å; K372-Y377 WeakPolarHBondContact O-CD2 3.28Å; Q374-Y377 CarbonylContact O-C 3.48Å; Q374-Y377 WeakPolarHBondContact O-CA 3.4Å; Q374-Y377 PolarHBondContact O-N 2.97Å; W375-Y377 PolarHBondContact O-N 3.29Å; Y377-H379 VanDerWaalsContact C-N 3.28Å; Y377-H379 PolarHBondContact O-N 3.42Å; Y377-I380 HydrophobicContact CG-CD1 4.24Å; Y377-I380 WeakPolarHBondContact O-CB 3.4Å; Y377-I380 PolarHBondContact O-N 3.38Å; Y377-M381 PolarHBondContact O-N 3.01Å; Y377-M381 VanDerWaalsContact O-N 3.11Å
378	P	93	Very high	93.3	Very high	61 Å²	61	58.8 Å²	58.8	40%	0.396	29%	0.292	S	S	.	.	H	α-helix	trans	-61.3	-34.6	-168.8	23.8	-33.8	0	0	0	113	W375 K376 I380 M381 I382	W375-P378 HydrophobicContact CE3-CB 4.31Å; W375-P378 WeakPolarHBondContact O-CD 3.18Å; K376-P378 WeakPolarHBondContact O-CD 3.17Å; P378-I380 VanDerWaalsContact C-N 3.32Å; P378-I380 PolarHBondContact O-N 3.44Å; P378-M381 PolarHBondContact O-N 2.81Å; P378-I382 WeakPolarHBondContact O-CB 3.48Å; P378-I382 WeakPolarHBondContact O-CD1 3.49Å; P378-I382 WeakPolarHBondContact O-CG1 3.46Å; P378-I382 PolarHBondContact O-N 3.24Å
379	H	94.6	Very high	93.4	Very high	135 Å²	135	61 Å²	61	63%	0.625	30%	0.303	S	S	*	.	H	α-helix	trans	-62.2	-37.1	176.3	60.7	-79.3	0	0	0	112.7	Y377 G383	Y377-H379 VanDerWaalsContact C-N 3.28Å; Y377-H379 PolarHBondContact O-N 3.42Å; H379-G383 PolarHBondContact O-N 3.29Å
380	I	93.7	Very high	93.4	Very high	47 Å²	47	66.4 Å²	66.4	24%	0.241	33%	0.332	C	S	.	.	H	α-helix	trans	-70	-47.8	174.7	-63	174.5	0	0	0	109.7	K372 Y377 P378 I382 G383 I384	K372-I380 HydrophobicContact CB-CD1 4Å; K372-I380 HydrophobicContact CG-CD1 4.44Å; K372-I380 WeakPolarHBondContact O-CG2 3.37Å; Y377-I380 HydrophobicContact CG-CD1 4.24Å; Y377-I380 WeakPolarHBondContact O-CB 3.4Å; Y377-I380 PolarHBondContact O-N 3.38Å; P378-I380 VanDerWaalsContact C-N 3.32Å; P378-I380 PolarHBondContact O-N 3.44Å; I380-I382 PolarHBondContact O-N 3.31Å; I380-G383 PolarHBondContact O-N 3.16Å; I380-I384 HydrophobicContact CG2-CD1 3.71Å; I380-I384 HydrophobicContact CG2-CG1 4.31Å; I380-I384 VanDerWaalsContact O-CG1 3.28Å; I380-I384 WeakPolarHBondContact O-CG1 3.18Å; I380-I384 PolarHBondContact O-N 3.15Å
381	M	93.3	Very high	93.5	Very high	41 Å²	41	72 Å²	72	20%	0.202	36%	0.356	C	S	.	.	H	α-helix	trans	-59.3	-46.5	178.9	-78.1	-62.8	-72.2	0	0	112.8	A373 Q374 W375 Y377 P378 G383 I384 G385	A373-M381 HydrophobicContact CB-SD 4.37Å; Q374-M381 WeakPolarHBondContact O-CG 3.37Å; W375-M381 HydrophobicContact CD2-CB 4.45Å; W375-M381 HydrophobicContact CD2-CG 4.47Å; W375-M381 HydrophobicContact CE3-CB 4.32Å; W375-M381 HydrophobicContact CZ3-CB 4.43Å; Y377-M381 PolarHBondContact O-N 3.01Å; Y377-M381 VanDerWaalsContact O-N 3.11Å; P378-M381 PolarHBondContact O-N 2.81Å; M381-G383 VanDerWaalsContact C-N 3.35Å; M381-I384 PolarHBondContact O-N 3.25Å; M381-G385 PolarHBondContact O-N 3.19Å
382	I	94.5	Very high	93.6	Very high	90 Å²	90	75.2 Å²	75.2	46%	0.462	37%	0.368	S	S	.	.	H	α-helix	trans	-61.8	-45	175.8	-68.7	165.4	0	0	0	109.8	W375 P378 I380 I384 G385 L386	W375-I382 HydrophobicContact CZ3-CG1 4.45Å; P378-I382 WeakPolarHBondContact O-CB 3.48Å; P378-I382 WeakPolarHBondContact O-CD1 3.49Å; P378-I382 WeakPolarHBondContact O-CG1 3.46Å; P378-I382 PolarHBondContact O-N 3.24Å; I380-I382 PolarHBondContact O-N 3.31Å; I382-I384 PolarHBondContact O-N 2.81Å; I382-G385 PolarHBondContact O-N 3.13Å; I382-L386 HydrophobicContact CG2-CD1 3.69Å; I382-L386 HydrophobicContact CG2-CG 4.11Å; I382-L386 WeakPolarHBondContact O-CB 3.39Å; I382-L386 VanDerWaalsContact O-CG 3.32Å; I382-L386 WeakPolarHBondContact O-CG 3.47Å; I382-L386 PolarHBondContact O-N 3.06Å
383	G	96.3	Very high	93.7	Very high	37 Å²	37	80.4 Å²	80.4	38%	0.381	39%	0.385	S	S	.	.	H	α-helix	trans	-59.9	-42.1	176.5	0	0	0	0	0	113.5	H379 I380 M381 K387	H379-G383 PolarHBondContact O-N 3.29Å; I380-G383 PolarHBondContact O-N 3.16Å; M381-G383 VanDerWaalsContact C-N 3.35Å; G383-K387 WeakPolarHBondContact O-CB 3.36Å; G383-K387 PolarHBondContact O-N 3.36Å
384	I	94.3	Very high	93.8	Very high	29 Å²	29	80.5 Å²	80.5	15%	0.149	39%	0.389	C	S	.	.	H	α-helix	trans	-61.1	-48.7	175	-70.1	165.6	0	0	0	110.3	A373 I380 M381 I382 W388 W395 A396	A373-I384 HydrophobicContact CB-CD1 3.64Å; I380-I384 HydrophobicContact CG2-CD1 3.71Å; I380-I384 HydrophobicContact CG2-CG1 4.31Å; I380-I384 VanDerWaalsContact O-CG1 3.28Å; I380-I384 WeakPolarHBondContact O-CG1 3.18Å; I380-I384 PolarHBondContact O-N 3.15Å; M381-I384 PolarHBondContact O-N 3.25Å; I382-I384 PolarHBondContact O-N 2.81Å; I384-W388 PolarHBondContact O-N 2.73Å; I384-W395 HydrophobicContact CD1-CE3 3.72Å; I384-W395 HydrophobicContact CD1-CZ3 4.41Å; I384-W395 HydrophobicContact CG1-CB 4.4Å; I384-W395 HydrophobicContact CG1-CE3 4.37Å; I384-W395 HydrophobicContact CG2-CB 4.17Å; I384-A396 HydrophobicContact CG2-CB 3.66Å
385	G	94.5	Very high	94	Very high	18 Å²	18	84.4 Å²	84.4	19%	0.186	40%	0.403	C	S	.	.	H	α-helix	trans	-61.7	-49.4	178.7	0	0	0	0	0	112.5	M381 I382 K387 W388 I389	M381-G385 PolarHBondContact O-N 3.19Å; I382-G385 PolarHBondContact O-N 3.13Å; G385-K387 PolarHBondContact O-N 3.49Å; G385-W388 PolarHBondContact O-N 3.27Å; G385-W388 VanDerWaalsContact O-N 3.17Å; G385-I389 VanDerWaalsContact O-CG1 3.32Å; G385-I389 WeakPolarHBondContact O-CG1 3.28Å; G385-I389 PolarHBondContact O-N 3.13Å
386	L	95.9	Very high	94.3	Very high	87 Å²	87	77 Å²	77	46%	0.455	38%	0.375	S	S	.	.	H	α-helix	trans	-60.4	-43.1	179.1	-74.4	175.4	0	0	0	112.1	I382 W388 I389 L390	I382-L386 HydrophobicContact CG2-CD1 3.69Å; I382-L386 HydrophobicContact CG2-CG 4.11Å; I382-L386 WeakPolarHBondContact O-CB 3.39Å; I382-L386 VanDerWaalsContact O-CG 3.32Å; I382-L386 WeakPolarHBondContact O-CG 3.47Å; I382-L386 PolarHBondContact O-N 3.06Å; L386-W388 PolarHBondContact O-N 2.65Å; L386-I389 PolarHBondContact O-N 3.14Å; L386-L390 WeakPolarHBondContact O-CB 3.18Å; L386-L390 WeakPolarHBondContact O-CG 3.35Å; L386-L390 PolarHBondContact O-N 3.14Å
387	K	96.4	Very high	94.6	Very high	113 Å²	113	71.2 Å²	71.2	49%	0.491	35%	0.353	S	S	.	.	H	α-helix	trans	-60.3	-36.9	177.6	-168.7	171.8	-177.9	171.1	0	112	G383 G385 F391 R393	G383-K387 WeakPolarHBondContact O-CB 3.36Å; G383-K387 PolarHBondContact O-N 3.36Å; G385-K387 PolarHBondContact O-N 3.49Å; K387-F391 HydrophobicContact CG-CD2 4.34Å; K387-F391 WeakPolarHBondContact O-CB 3.43Å; K387-F391 PolarHBondContact O-N 3.21Å; K387-R393 CarbonylContact C-O 3.46Å
388	W	96.4	Very high	94.7	Very high	8 Å²	8	68.5 Å²	68.5	3%	0.03	34%	0.343	C	S	.	.	H	α-helix	trans	-74.9	-42.1	174.3	-177.2	89.9	0	0	0	112.7	K106 M107 G252 E253 I384 G385 L386 L390 R392 A396	K106-W388 HydrophobicContact CB-CH2 4.21Å; K106-W388 HydrophobicContact CB-CZ2 4.27Å; M107-W388 VanDerWaalsContact CA-CZ2 3.5Å; M107-W388 HydrophobicContact CB-CD2 4.28Å; M107-W388 HydrophobicContact CB-CE3 4.46Å; M107-W388 HydrophobicContact CB-CH2 3.89Å; M107-W388 HydrophobicContact CB-CZ2 3.68Å; M107-W388 HydrophobicContact CB-CZ3 4.28Å; M107-W388 HydrophobicContact CE-CB 4.33Å; M107-W388 HydrophobicContact CE-CD2 3.61Å; M107-W388 HydrophobicContact CE-CE3 3.24Å; M107-W388 HydrophobicContact CE-CG 4.09Å; M107-W388 HydrophobicContact CE-CH2 4.49Å; M107-W388 HydrophobicContact CE-CZ3 3.74Å; M107-W388 HydrophobicContact CG-CD2 4.02Å; M107-W388 HydrophobicContact CG-CE3 4.43Å; M107-W388 HydrophobicContact CG-CG 4.33Å; M107-W388 HydrophobicContact CG-CZ2 4.27Å; G252-W388 PolarHBondContact O-NE1 2.8Å; E253-W388 HydrophobicContact CG-CZ2 4.17Å; I384-W388 PolarHBondContact O-N 2.73Å; G385-W388 PolarHBondContact O-N 3.27Å; G385-W388 VanDerWaalsContact O-N 3.17Å; L386-W388 PolarHBondContact O-N 2.65Å; W388-L390 VanDerWaalsContact C-N 3.31Å; W388-L390 PolarHBondContact O-N 3.49Å; W388-R392 VanDerWaalsContact O-CA 3.23Å; W388-R392 WeakPolarHBondContact O-CA 3.32Å; W388-R392 WeakPolarHBondContact O-CD 3.46Å; W388-R392 PolarHBondContact O-N 3Å; W388-R392 PolarHBondContact O-NH1 2.96Å; W388-A396 HydrophobicContact CB-CB 3.6Å; W388-A396 HydrophobicContact CG-CB 3.93Å
389	I	95.5	Very high	94.6	Very high	100 Å²	100	65.9 Å²	65.9	51%	0.513	33%	0.326	S	S	.	.	H	α-helix	trans	-60.3	-42.1	178.3	-71	168.4	0	0	0	111.1	G385 L386 R392	G385-I389 VanDerWaalsContact O-CG1 3.32Å; G385-I389 WeakPolarHBondContact O-CG1 3.28Å; G385-I389 PolarHBondContact O-N 3.13Å; L386-I389 PolarHBondContact O-N 3.14Å; I389-R392 VanDerWaalsContact C-NH1 3.25Å; I389-R392 VanDerWaalsContact CA-NH1 3.32Å; I389-R392 PolarHBondContact O-NH1 2.83Å
390	L	96	Very high	94.6	Very high	116 Å²	116	60.3 Å²	60.3	61%	0.607	30%	0.3	S	S	*	.	H	α-helix	trans	-83.6	-39.2	-176.8	-63.7	174.3	0	0	0	112.9	L386 W388	L386-L390 WeakPolarHBondContact O-CB 3.18Å; L386-L390 WeakPolarHBondContact O-CG 3.35Å; L386-L390 PolarHBondContact O-N 3.14Å; W388-L390 VanDerWaalsContact C-N 3.31Å; W388-L390 PolarHBondContact O-N 3.49Å
391	F	96.3	Very high	94.7	Very high	136 Å²	136	58.9 Å²	58.9	60%	0.596	29%	0.293	S	S	*	.	H	α-helix	trans	-125.5	-6.5	-167.9	-51.9	-68.5	0	0	0	115.2	K387 R393	K387-F391 HydrophobicContact CG-CD2 4.34Å; K387-F391 WeakPolarHBondContact O-CB 3.43Å; K387-F391 PolarHBondContact O-N 3.21Å; F391-R393 HydrophobicContact CB-CB 4.29Å; F391-R393 HydrophobicContact CB-CG 4.48Å; F391-R393 WeakPolarHBondContact O-CG 3.27Å; F391-R393 PolarHBondContact O-N 3.02Å
392	R	95.4	Very high	94.8	Very high	88 Å²	88	57.1 Å²	57.1	33%	0.332	28%	0.284	S	S	.	.	S	Bend	trans	51.3	40.4	-171	-58.9	-69.5	-177.6	-82	-8.8	112.4	N251 G252 E253 W388 I389	N251-R392 WeakPolarHBondContact O-CB 3.22Å; G252-R392 WeakPolarHBondContact CA-O 3.28Å; E253-R392 IonicContact OE1-CZ 3.46Å; E253-R392 IonicContact OE1-NE 2.87Å; E253-R392 PolarHBondContact OE1-NE 2.72Å; E253-R392 IonicContact OE1-NH2 3.7Å; W388-R392 VanDerWaalsContact O-CA 3.23Å; W388-R392 WeakPolarHBondContact O-CA 3.32Å; W388-R392 WeakPolarHBondContact O-CD 3.46Å; W388-R392 PolarHBondContact O-N 3Å; W388-R392 PolarHBondContact O-NH1 2.96Å; I389-R392 VanDerWaalsContact C-NH1 3.25Å; I389-R392 VanDerWaalsContact CA-NH1 3.32Å; I389-R392 PolarHBondContact O-NH1 2.83Å
393	R	93.8	Very high	95	Very high	182 Å²	182	52.8 Å²	52.8	69%	0.687	26%	0.262	S	S	*	.			trans	-134.8	170.4	-178.4	-71.8	176.6	-176.5	-167.1	0.8	110.8	K387 F391	K387-R393 CarbonylContact C-O 3.46Å; F391-R393 HydrophobicContact CB-CB 4.29Å; F391-R393 HydrophobicContact CB-CG 4.48Å; F391-R393 WeakPolarHBondContact O-CG 3.27Å; F391-R393 PolarHBondContact O-N 3.02Å
394	G	92.9	Very high	95	Very high	28 Å²	28	51 Å²	51	29%	0.289	24%	0.244	S	C	.	.	S	Bend	trans	89.9	-166.3	176.7	0	0	0	0	0	113.1	A396 A397	G394-A396 VanDerWaalsContact C-N 3.27Å; G394-A396 PolarHBondContact O-N 2.94Å; G394-A397 VanDerWaalsContact O-CB 3.27Å; G394-A397 WeakPolarHBondContact O-CB 2.88Å; G394-A397 PolarHBondContact O-N 2.79Å
395	W	92.4	Very high	95.2	Very high	97 Å²	97	49.7 Å²	49.7	37%	0.367	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-62.1	-31.9	-171.3	-70	2.1	0	0	0	113.6	L370 A373 I384 A397 T398 H400	L370-W395 HydrophobicContact CD2-CD2 4.44Å; L370-W395 HydrophobicContact CD2-CE3 4.06Å; L370-W395 HydrophobicContact CD2-CZ3 4.25Å; A373-W395 HydrophobicContact CB-CE3 4.04Å; A373-W395 HydrophobicContact CB-CZ3 4.13Å; I384-W395 HydrophobicContact CD1-CE3 3.72Å; I384-W395 HydrophobicContact CD1-CZ3 4.41Å; I384-W395 HydrophobicContact CG1-CB 4.4Å; I384-W395 HydrophobicContact CG1-CE3 4.37Å; I384-W395 HydrophobicContact CG2-CB 4.17Å; W395-A397 PolarHBondContact O-N 2.79Å; W395-T398 WeakPolarHBondContact O-CG2 3.41Å; W395-T398 PolarHBondContact O-N 3.4Å; W395-H400 PolarHBondContact O-CE1 2.7Å; W395-H400 VanDerWaalsContact O-CE1 3.27Å; W395-H400 PolarHBondContact O-NE2 3.27Å
396	A	94.5	Very high	95.4	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.017	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-69.2	-13.3	174.8	0	0	0	0	0	114.1	M107 P108 A109 I384 W388 G394	M107-A396 HydrophobicContact CE-CB 4.24Å; M107-A396 HydrophobicContact CG-CB 3.96Å; M107-A396 WeakPolarHBondContact CG-O 3.21Å; M107-A396 HydrophobicContact SD-CB 3.73Å; P108-A396 VanDerWaalsContact CD-O 3.24Å; P108-A396 WeakPolarHBondContact CD-O 3.33Å; A109-A396 PolarHBondContact N-O 2.63Å; I384-A396 HydrophobicContact CG2-CB 3.66Å; W388-A396 HydrophobicContact CB-CB 3.6Å; W388-A396 HydrophobicContact CG-CB 3.93Å; G394-A396 VanDerWaalsContact C-N 3.27Å; G394-A396 PolarHBondContact O-N 2.94Å
397	A	95.5	Very high	95.5	Very high	16 Å²	16	44.7 Å²	44.7	13%	0.132	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-91.6	7.4	-178	0	0	0	0	0	114.4	G394 W395	G394-A397 VanDerWaalsContact O-CB 3.27Å; G394-A397 WeakPolarHBondContact O-CB 2.88Å; G394-A397 PolarHBondContact O-N 2.79Å; W395-A397 PolarHBondContact O-N 2.79Å
398	T	93.8	Very high	95.5	Very high	8 Å²	8	39.4 Å²	39.4	5%	0.049	18%	0.184	C	C	.	.			trans	-135.6	164.8	177.4	-180	0	0	0	0	110.7	P108 A109 T211 W395 H400 E402	P108-T398 WeakPolarHBondContact CB-O 3.43Å; A109-T398 PolarHBondContact N-O 3.14Å; T211-T398 HydrophobicContact CG2-CG2 3.71Å; W395-T398 WeakPolarHBondContact O-CG2 3.41Å; W395-T398 PolarHBondContact O-N 3.4Å; T398-H400 VanDerWaalsContact CG2-CE1 3.42Å; T398-H400 WeakPolarHBondContact CG2-CE1 3.36Å; T398-H400 WeakPolarHBondContact CG2-ND1 3.36Å; T398-H400 PolarHBondContact OG1-N 3.06Å; T398-H400 VanDerWaalsContact OG1-N 3.15Å; T398-E402 WeakPolarHBondContact CB-OE1 3.05Å; T398-E402 PolarHBondContact OG1-OE1 2.93Å
399	T	90.7	Very high	95.5	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.037	19%	0.189	C	C	.	.			trans	-92.9	-7.8	168.8	56	0	0	0	0	114	P108 L111 A153 M154 L401	P108-T399 HydrophobicContact CB-CG2 4.28Å; L111-T399 HydrophobicContact CD2-CG2 4.29Å; A153-T399 WeakPolarHBondContact O-CB 3.36Å; A153-T399 VanDerWaalsContact O-CG2 3.22Å; A153-T399 WeakPolarHBondContact O-CG2 3.42Å; A153-T399 PolarHBondContact O-OG1 2.88Å; M154-T399 HydrophobicContact CB-CG2 3.96Å; M154-T399 HydrophobicContact CE-CG2 3Å; M154-T399 HydrophobicContact CG-CG2 4.41Å; M154-T399 HydrophobicContact SD-CG2 4.09Å; T399-L401 PolarHBondContact O-N 2.92Å
400	H	94.6	Very high	95.5	Very high	18 Å²	18	39.4 Å²	39.4	8%	0.083	19%	0.186	C	C	.	.	S	Bend	trans	67.5	3.4	-177.6	-46.3	-78.5	0	0	0	115.6	H216 L370 W395 T398 E402 L423	H216-H400 PolarHBondContact CE1-O 3.22Å; H216-H400 VanDerWaalsContact CE1-O 3.22Å; H216-H400 PolarHBondContact NE2-O 3Å; L370-H400 HydrophobicContact CD1-CB 3.71Å; L370-H400 VanDerWaalsContact CD1-CG 3.45Å; W395-H400 PolarHBondContact O-CE1 2.7Å; W395-H400 VanDerWaalsContact O-CE1 3.27Å; W395-H400 PolarHBondContact O-NE2 3.27Å; T398-H400 VanDerWaalsContact CG2-CE1 3.42Å; T398-H400 WeakPolarHBondContact CG2-CE1 3.36Å; T398-H400 WeakPolarHBondContact CG2-ND1 3.36Å; T398-H400 PolarHBondContact OG1-N 3.06Å; T398-H400 VanDerWaalsContact OG1-N 3.15Å; H400-E402 VanDerWaalsContact C-N 3.28Å; H400-E402 PolarHBondContact O-N 3.14Å; H400-L423 HydrophobicContact CB-CD1 4.01Å
401	L	95.1	Very high	95.4	Very high	17 Å²	17	35.2 Å²	35.2	9%	0.089	17%	0.168	C	C	.	.			trans	-91.9	62.2	171.9	-65.6	165.9	0	0	0	109.8	A153 V155 T399 H421 L423	A153-L401 HydrophobicContact CB-CD1 3.51Å; V155-L401 HydrophobicContact CG2-CB 3.67Å; V155-L401 HydrophobicContact CG2-CD1 3.96Å; T399-L401 PolarHBondContact O-N 2.92Å; L401-H421 HydrophobicContact CD2-CB 3.95Å; L401-L423 HydrophobicContact CD2-CB 4.02Å; L401-L423 HydrophobicContact CD2-CD1 3.86Å; L401-L423 HydrophobicContact CD2-CG 4.42Å; L401-L423 HydrophobicContact CG-CD1 4.24Å
402	E	95.8	Very high	95.2	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.014	17%	0.174	C	C	.	.			trans	-94.4	-14.1	-165.8	-80.3	-179.8	-145	0	0	114.5	A209 K210 T211 Y244 F245 M247 T398 H400	A209-E402 HydrophobicContact CB-CB 3.5Å; A209-E402 VanDerWaalsContact CB-CB 3.5Å; A209-E402 HydrophobicContact CB-CG 3.63Å; A209-E402 WeakPolarHBondContact CB-O 3.41Å; K210-E402 PolarHBondContact N-OE2 3.43Å; T211-E402 WeakPolarHBondContact CB-OE2 3.44Å; T211-E402 WeakPolarHBondContact CG2-OE1 3.4Å; T211-E402 PolarHBondContact N-OE2 2.96Å; T211-E402 PolarHBondContact OG1-OE1 3.31Å; T211-E402 PolarHBondContact OG1-OE2 3.07Å; Y244-E402 CarbonylContact C-O 3.17Å; Y244-E402 WeakPolarHBondContact CA-O 3.36Å; Y244-E402 WeakPolarHBondContact CD1-O 3.19Å; F245-E402 PolarHBondContact N-O 3.36Å; M247-E402 HydrophobicContact CE-CG 3.99Å; M247-E402 HydrophobicContact SD-CG 4.19Å; T398-E402 WeakPolarHBondContact CB-OE1 3.05Å; T398-E402 PolarHBondContact OG1-OE1 2.93Å; H400-E402 VanDerWaalsContact C-N 3.28Å; H400-E402 PolarHBondContact O-N 3.14Å
403	S	98	Very high	95.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	162.2	177.8	66.5	0	0	0	0	110.8	H216 G243 F422	H216-S403 PolarHBondContact ND1-OG 3.19Å; G243-S403 WeakPolarHBondContact O-CA 3.49Å; S403-F422 WeakPolarHBondContact O-CB 3.44Å; S403-F422 PolarHBondContact O-N 3.02Å
404	G	97.9	Very high	95	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.9	-142.9	178	0	0	0	0	0	110.6	W219 V242 G243 F245 F420	W219-G404 PolarHBondContact NE1-O 3.04Å; W219-G404 VanDerWaalsContact NE1-O 3.13Å; V242-G404 WeakPolarHBondContact CA-O 3.24Å; G243-G404 PolarHBondContact N-O 3.26Å; G243-G404 PolarHBondContact O-N 3.08Å; F245-G404 VanDerWaalsContact CZ-CA 3.47Å; G404-F420 WeakPolarHBondContact CA-O 3.27Å
405	G	97.9	Very high	95.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178	168.7	174.9	0	0	0	0	0	113	G241 Q419 F420	G241-G405 CarbonylContact O-C 3.59Å; G241-G405 WeakPolarHBondContact O-CA 3.47Å; G405-Q419 CarbonylContact O-C 3.55Å; G405-Q419 WeakPolarHBondContact O-CA 3.45Å; G405-F420 PolarHBondContact N-O 3.02Å; G405-F420 PolarHBondContact O-N 3.47Å
406	F	98.5	Very high	95.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.2	173.7	-66	-94.6	0	0	0	107.9	I157 V234 Q239 E240 G241 F245 P416 I418 Q419 S594	I157-F406 HydrophobicContact CD1-CE2 4.05Å; I157-F406 HydrophobicContact CD1-CZ 4.08Å; I157-F406 HydrophobicContact CG1-CZ 4.24Å; I157-F406 HydrophobicContact CG2-CE1 4.47Å; I157-F406 HydrophobicContact CG2-CE2 4.49Å; I157-F406 HydrophobicContact CG2-CZ 3.74Å; V234-F406 HydrophobicContact CB-CD2 4.33Å; V234-F406 HydrophobicContact CB-CE2 4.08Å; V234-F406 HydrophobicContact CG1-CD2 4.25Å; V234-F406 HydrophobicContact CG1-CE2 4.29Å; Q239-F406 HydrophobicContact CG-CB 3.98Å; Q239-F406 HydrophobicContact CG-CD1 4.22Å; Q239-F406 HydrophobicContact CG-CD2 3.69Å; Q239-F406 HydrophobicContact CG-CE2 4.22Å; Q239-F406 HydrophobicContact CG-CG 3.7Å; E240-F406 CarbonylContact C-O 3.04Å; E240-F406 WeakPolarHBondContact CA-O 3.39Å; G241-F406 PolarHBondContact N-O 3.24Å; G241-F406 PolarHBondContact O-N 3.46Å; F245-F406 AromaticContact CE1-CE2 3.94Å; F245-F406 HydrophobicContact CE1-CE2 3.94Å; F245-F406 HydrophobicContact CZ-CE2 4.1Å; F406-P416 HydrophobicContact CB-CB 3.67Å; F406-P416 HydrophobicContact CB-CG 4.11Å; F406-I418 WeakPolarHBondContact CA-O 3.49Å; F406-Q419 HydrophobicContact CD1-CB 3.87Å; F406-Q419 HydrophobicContact CD1-CG 3.96Å; F406-Q419 HydrophobicContact CE1-CB 3.63Å; F406-Q419 VanDerWaalsContact CE1-CD 3.41Å; F406-Q419 HydrophobicContact CE1-CG 3.39Å; F406-Q419 HydrophobicContact CE2-CG 4.34Å; F406-Q419 HydrophobicContact CZ-CB 4.36Å; F406-Q419 VanDerWaalsContact CZ-CD 3.42Å; F406-Q419 HydrophobicContact CZ-CG 3.6Å; F406-S594 WeakPolarHBondContact CE1-O 3.35Å
407	I	97.8	Very high	95.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	167.2	179	68.7	170.9	0	0	0	110.8	Y228 P416 N417 I418 F420 L488	Y228-I407 HydrophobicContact CD1-CB 4.08Å; Y228-I407 HydrophobicContact CD1-CD1 4.48Å; Y228-I407 HydrophobicContact CD1-CG2 3.48Å; Y228-I407 VanDerWaalsContact CD1-CG2 3.48Å; Y228-I407 HydrophobicContact CD2-CG2 4.38Å; Y228-I407 HydrophobicContact CE1-CB 3.82Å; Y228-I407 HydrophobicContact CE1-CD1 3.63Å; Y228-I407 HydrophobicContact CE1-CG1 4.33Å; Y228-I407 HydrophobicContact CE1-CG2 3.68Å; Y228-I407 HydrophobicContact CE2-CD1 3.98Å; Y228-I407 HydrophobicContact CG-CG2 3.86Å; Y228-I407 WeakPolarHBondContact OH-CD1 3.39Å; I407-P416 CarbonylContact O-C 3.04Å; I407-P416 VanDerWaalsContact O-CA 3.31Å; I407-P416 WeakPolarHBondContact O-CA 3.34Å; I407-N417 PolarHBondContact O-N 3.05Å; I407-N417 VanDerWaalsContact O-N 3.07Å; I407-I418 HydrophobicContact CD1-CD1 3.71Å; I407-I418 HydrophobicContact CD1-CG1 4.31Å; I407-I418 HydrophobicContact CG1-CD1 3.45Å; I407-I418 VanDerWaalsContact CG1-CD1 3.45Å; I407-I418 HydrophobicContact CG1-CG1 3.48Å; I407-I418 VanDerWaalsContact CG1-CG1 3.48Å; I407-I418 PolarHBondContact N-O 3.17Å; I407-I418 VanDerWaalsContact N-O 3.14Å; I407-I418 VanDerWaalsContact O-CG1 3.31Å; I407-I418 WeakPolarHBondContact O-CG1 3.43Å; I407-I418 PolarHBondContact O-N 2.85Å; I407-I418 VanDerWaalsContact O-N 3.13Å; I407-F420 HydrophobicContact CB-CE2 4.47Å; I407-F420 HydrophobicContact CD1-CE2 3.44Å; I407-F420 VanDerWaalsContact CD1-CE2 3.44Å; I407-F420 HydrophobicContact CD1-CZ 3.6Å; I407-F420 HydrophobicContact CG1-CE2 3.54Å; I407-F420 HydrophobicContact CG1-CZ 4.06Å; I407-F420 HydrophobicContact CG2-CE2 4.19Å; I407-L488 HydrophobicContact CD1-CB 4.2Å; I407-L488 HydrophobicContact CD1-CD1 3.78Å
408	R	97.2	Very high	95.6	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.011	13%	0.126	C	C	.	.			trans	-87.2	141.2	171.2	-64.2	-179.8	-76.9	150.8	6	109.7	E240 D410 I413 N417 P637 K639 Q640	E240-R408 IonicContact OE1-CZ 3.7Å; E240-R408 IonicContact OE1-NE 3.35Å; E240-R408 PolarHBondContact OE1-NE 3.44Å; E240-R408 IonicContact OE1-NH2 3.25Å; E240-R408 IonicContact OE2-NE 2.61Å; E240-R408 PolarHBondContact OE2-NE 3.21Å; R408-D410 VanDerWaalsContact C-N 3.34Å; R408-I413 HydrophobicContact CB-CB 4.49Å; R408-I413 WeakPolarHBondContact CD-O 3.37Å; R408-I413 PolarHBondContact NH1-O 2.9Å; R408-N417 WeakPolarHBondContact CA-OD1 3.3Å; R408-P637 PolarHBondContact NH1-O 3.2Å; R408-K639 VanDerWaalsContact CZ-O 3.24Å; R408-K639 PolarHBondContact NH1-O 3.03Å; R408-K639 VanDerWaalsContact NH1-O 3.16Å; R408-K639 PolarHBondContact NH2-O 3.3Å; R408-Q640 PolarHBondContact NH2-O 3.4Å; R408-Q640 WeakPolarHBondContact O-CG 3.42Å; R408-Q640 PolarHBondContact O-NE2 3.07Å
409	T	96.7	Very high	95.8	Very high	24 Å²	24	20.2 Å²	20.2	15%	0.147	13%	0.125	C	C	.	.	S	Bend	trans	-76	-26.7	172.6	53.4	0	0	0	0	112.2	I413 N417 I418 E481 A484	T409-I413 WeakPolarHBondContact OG1-CD1 3.33Å; T409-N417 PolarHBondContact N-OD1 2.89Å; T409-N417 PolarHBondContact OG1-ND2 2.84Å; T409-N417 PolarHBondContact OG1-OD1 2.61Å; T409-I418 HydrophobicContact CG2-CB 4.34Å; T409-I418 HydrophobicContact CG2-CD1 3.95Å; T409-I418 HydrophobicContact CG2-CG1 3.98Å; T409-I418 HydrophobicContact CG2-CG2 3.43Å; T409-I418 VanDerWaalsContact CG2-CG2 3.43Å; T409-E481 HydrophobicContact CG2-CG 4.48Å; T409-A484 HydrophobicContact CG2-CB 3.82Å
410	D	94.3	Very high	96.1	Very high	83 Å²	83	20 Å²	20	44%	0.444	12%	0.123	S	C	.	.	S	Bend	trans	-150.7	161.1	-179.6	-177.3	69.6	0	0	0	111.5	R408 S412 I413	R408-D410 VanDerWaalsContact C-N 3.34Å; D410-S412 VanDerWaalsContact C-N 3.29Å; D410-S412 PolarHBondContact O-N 3.42Å; D410-S412 WeakPolarHBondContact OD2-CB 3.4Å; D410-S412 PolarHBondContact OD2-N 2.57Å; D410-S412 PolarHBondContact OD2-OG 3.35Å; D410-I413 HydrophobicContact CB-CD1 4.5Å; D410-I413 HydrophobicContact CB-CG1 4.48Å; D410-I413 PolarHBondContact O-N 3Å
411	A	93.8	Very high	96.3	Very high	28 Å²	28	19.7 Å²	19.7	23%	0.231	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.5	177.6	0	0	0	0	0	114.3	I413 D638	A411-I413 PolarHBondContact O-N 3.28Å; A411-I413 VanDerWaalsContact O-N 3.13Å; A411-D638 VanDerWaalsContact CB-O 3.23Å; A411-D638 WeakPolarHBondContact CB-O 3.42Å
412	S	92.6	Very high	96.5	Very high	103 Å²	103	18.9 Å²	18.9	72%	0.72	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.6	-178.8	84.2	0	0	0	0	113.6	D410	D410-S412 VanDerWaalsContact C-N 3.29Å; D410-S412 PolarHBondContact O-N 3.42Å; D410-S412 WeakPolarHBondContact OD2-CB 3.4Å; D410-S412 PolarHBondContact OD2-N 2.57Å; D410-S412 PolarHBondContact OD2-OG 3.35Å
413	I	93.2	Very high	96.5	Very high	21 Å²	21	19.2 Å²	19.2	11%	0.108	12%	0.119	C	C	.	.			trans	-92.6	129.2	-174.1	-54.3	-173.4	0	0	0	109.1	R408 T409 D410 A411 H415 N417	R408-I413 HydrophobicContact CB-CB 4.49Å; R408-I413 WeakPolarHBondContact CD-O 3.37Å; R408-I413 PolarHBondContact NH1-O 2.9Å; T409-I413 WeakPolarHBondContact OG1-CD1 3.33Å; D410-I413 HydrophobicContact CB-CD1 4.5Å; D410-I413 HydrophobicContact CB-CG1 4.48Å; D410-I413 PolarHBondContact O-N 3Å; A411-I413 PolarHBondContact O-N 3.28Å; A411-I413 VanDerWaalsContact O-N 3.13Å; I413-H415 VanDerWaalsContact C-N 3.34Å; I413-H415 VanDerWaalsContact CG2-O 3.22Å; I413-H415 WeakPolarHBondContact CG2-O 3.28Å; I413-H415 PolarHBondContact O-N 3.02Å; I413-N417 HydrophobicContact CD1-CB 4.39Å; I413-N417 VanDerWaalsContact CD1-CG 3.44Å; I413-N417 WeakPolarHBondContact CD1-ND2 3.25Å; I413-N417 WeakPolarHBondContact CD1-OD1 3.24Å; I413-N417 HydrophobicContact CG2-CB 4.06Å
414	P	91	Very high	96.5	Very high	95 Å²	95	19.2 Å²	19.2	62%	0.617	12%	0.119	S	C	*	.	S	Bend	trans	-70	-27.3	-171.7	23	-32.2	0	0	0	114.4
415	H	95	Very high	96.3	Very high	18 Å²	18	20.1 Å²	20.1	8%	0.083	13%	0.126	C	C	.	.	S	Bend	trans	-158.5	162.6	-178.5	60.4	-70.8	0	0	0	110.8	N160 L162 D163 I413 N417 R448	N160-H415 PolarHBondContact OD1-CD2 3.37Å; L162-H415 HydrophobicContact CD1-CB 3.93Å; D163-H415 IonicContact OD1-CD2 3.26Å; D163-H415 IonicContact OD1-CE1 3.18Å; D163-H415 IonicContact OD1-NE2 2.9Å; D163-H415 PolarHBondContact OD1-NE2 3.27Å; I413-H415 VanDerWaalsContact C-N 3.34Å; I413-H415 VanDerWaalsContact CG2-O 3.22Å; I413-H415 WeakPolarHBondContact CG2-O 3.28Å; I413-H415 PolarHBondContact O-N 3.02Å; H415-N417 PolarHBondContact O-N 3.01Å; H415-R448 PolarHBondContact CD2-NH1 3.28Å; H415-R448 VanDerWaalsContact NE2-CZ 3.32Å; H415-R448 PolarHBondContact NE2-NH1 3.01Å; H415-R448 PolarHBondContact O-NH2 2.8Å
416	P	97.3	Very high	96.2	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.013	13%	0.129	C	C	.	.			trans	-47.9	128.1	-172.6	-32.7	38.2	0	0	0	114.1	E240 F406 I407 R448	E240-P416 HydrophobicContact CB-CG 3.44Å; E240-P416 VanDerWaalsContact CB-CG 3.44Å; E240-P416 HydrophobicContact CG-CG 3.64Å; E240-P416 WeakPolarHBondContact OE2-CD 3.46Å; F406-P416 HydrophobicContact CB-CB 3.67Å; F406-P416 HydrophobicContact CB-CG 4.11Å; I407-P416 CarbonylContact O-C 3.04Å; I407-P416 VanDerWaalsContact O-CA 3.31Å; I407-P416 WeakPolarHBondContact O-CA 3.34Å; P416-R448 PolarHBondContact O-NH1 2.79Å
417	N	97.3	Very high	95.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	14%	0.137	C	C	.	.			trans	-115.3	-5.3	179.6	66.3	-46.5	0	0	0	112.8	I407 R408 T409 I413 H415 P446 M447 E481	I407-N417 PolarHBondContact O-N 3.05Å; I407-N417 VanDerWaalsContact O-N 3.07Å; R408-N417 WeakPolarHBondContact CA-OD1 3.3Å; T409-N417 PolarHBondContact N-OD1 2.89Å; T409-N417 PolarHBondContact OG1-ND2 2.84Å; T409-N417 PolarHBondContact OG1-OD1 2.61Å; I413-N417 HydrophobicContact CD1-CB 4.39Å; I413-N417 VanDerWaalsContact CD1-CG 3.44Å; I413-N417 WeakPolarHBondContact CD1-ND2 3.25Å; I413-N417 WeakPolarHBondContact CD1-OD1 3.24Å; I413-N417 HydrophobicContact CG2-CB 4.06Å; H415-N417 PolarHBondContact O-N 3.01Å; N417-P446 CarbonylContact O-C 3.53Å; N417-P446 WeakPolarHBondContact O-CA 3.32Å; N417-M447 PolarHBondContact O-N 3.36Å; N417-E481 PolarHBondContact ND2-OE1 2.88Å
418	I	98.1	Very high	95.5	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.8	170.3	56.5	165	0	0	0	111	F406 I407 T409 F420 V444 G445 A485 L488	F406-I418 WeakPolarHBondContact CA-O 3.49Å; I407-I418 HydrophobicContact CD1-CD1 3.71Å; I407-I418 HydrophobicContact CD1-CG1 4.31Å; I407-I418 HydrophobicContact CG1-CD1 3.45Å; I407-I418 VanDerWaalsContact CG1-CD1 3.45Å; I407-I418 HydrophobicContact CG1-CG1 3.48Å; I407-I418 VanDerWaalsContact CG1-CG1 3.48Å; I407-I418 PolarHBondContact N-O 3.17Å; I407-I418 VanDerWaalsContact N-O 3.14Å; I407-I418 VanDerWaalsContact O-CG1 3.31Å; I407-I418 WeakPolarHBondContact O-CG1 3.43Å; I407-I418 PolarHBondContact O-N 2.85Å; I407-I418 VanDerWaalsContact O-N 3.13Å; T409-I418 HydrophobicContact CG2-CB 4.34Å; T409-I418 HydrophobicContact CG2-CD1 3.95Å; T409-I418 HydrophobicContact CG2-CG1 3.98Å; T409-I418 HydrophobicContact CG2-CG2 3.43Å; T409-I418 VanDerWaalsContact CG2-CG2 3.43Å; I418-F420 HydrophobicContact CD1-CE2 4.31Å; I418-F420 HydrophobicContact CD1-CZ 3.89Å; I418-V444 HydrophobicContact CD1-CG2 4.49Å; I418-G445 WeakPolarHBondContact CA-O 3.34Å; I418-A485 HydrophobicContact CG2-CB 4.42Å; I418-L488 HydrophobicContact CD1-CD1 3.95Å
419	Q	98.5	Very high	94.9	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.014	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.3	176.6	-179.7	177.8	16.9	0	0	109.5	G405 F406 H421 V444 G445 M447 N596	G405-Q419 CarbonylContact O-C 3.55Å; G405-Q419 WeakPolarHBondContact O-CA 3.45Å; F406-Q419 HydrophobicContact CD1-CB 3.87Å; F406-Q419 HydrophobicContact CD1-CG 3.96Å; F406-Q419 HydrophobicContact CE1-CB 3.63Å; F406-Q419 VanDerWaalsContact CE1-CD 3.41Å; F406-Q419 HydrophobicContact CE1-CG 3.39Å; F406-Q419 HydrophobicContact CE2-CG 4.34Å; F406-Q419 HydrophobicContact CZ-CB 4.36Å; F406-Q419 VanDerWaalsContact CZ-CD 3.42Å; F406-Q419 HydrophobicContact CZ-CG 3.6Å; Q419-H421 PolarHBondContact NE2-CE1 3.37Å; Q419-H421 PolarHBondContact NE2-NE2 3.42Å; Q419-V444 WeakPolarHBondContact O-CA 3.38Å; Q419-G445 PolarHBondContact N-O 3.4Å; Q419-M447 HydrophobicContact CB-CE 3.89Å; Q419-M447 HydrophobicContact CB-CG 3.79Å; Q419-M447 HydrophobicContact CB-SD 3.49Å; Q419-M447 WeakPolarHBondContact CB-SD 3.32Å; Q419-M447 HydrophobicContact CG-SD 4.44Å; Q419-M447 PolarHBondContact OE1-SD 3.49Å; Q419-N596 PolarHBondContact NE2-OD1 3.19Å
420	F	98.4	Very high	94.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.3	169.3	-59.4	-75	0	0	0	110.2	W219 F245 G404 G405 I407 I418 V442 H443 V444 S489 I492	W219-F420 HydrophobicContact CH2-CB 4.23Å; W219-F420 AromaticContact CH2-CD1 3.99Å; W219-F420 HydrophobicContact CH2-CD1 3.99Å; W219-F420 HydrophobicContact CH2-CE1 4.47Å; W219-F420 HydrophobicContact CH2-CG 4.05Å; W219-F420 HydrophobicContact CZ2-CB 3.65Å; W219-F420 HydrophobicContact CZ2-CD1 4.21Å; W219-F420 HydrophobicContact CZ2-CD2 4.18Å; W219-F420 AromaticContact CZ2-CG 3.78Å; W219-F420 HydrophobicContact CZ2-CG 3.78Å; F245-F420 WeakPolarHBondContact CE2-O 3.42Å; F245-F420 WeakPolarHBondContact CZ-O 3.49Å; G404-F420 WeakPolarHBondContact CA-O 3.27Å; G405-F420 PolarHBondContact N-O 3.02Å; G405-F420 PolarHBondContact O-N 3.47Å; I407-F420 HydrophobicContact CB-CE2 4.47Å; I407-F420 HydrophobicContact CD1-CE2 3.44Å; I407-F420 VanDerWaalsContact CD1-CE2 3.44Å; I407-F420 HydrophobicContact CD1-CZ 3.6Å; I407-F420 HydrophobicContact CG1-CE2 3.54Å; I407-F420 HydrophobicContact CG1-CZ 4.06Å; I407-F420 HydrophobicContact CG2-CE2 4.19Å; I418-F420 HydrophobicContact CD1-CE2 4.31Å; I418-F420 HydrophobicContact CD1-CZ 3.89Å; F420-V442 HydrophobicContact CB-CG2 3.57Å; F420-V442 HydrophobicContact CD1-CG1 4.46Å; F420-V442 HydrophobicContact CD1-CG2 3.51Å; F420-V442 HydrophobicContact CG-CG2 3.97Å; F420-H443 CarbonylContact C-O 3.55Å; F420-H443 VanDerWaalsContact CA-O 3.27Å; F420-H443 WeakPolarHBondContact CA-O 3.32Å; F420-V444 HydrophobicContact CD1-CB 3.76Å; F420-V444 HydrophobicContact CD1-CG2 3.39Å; F420-V444 HydrophobicContact CE1-CB 4.03Å; F420-V444 HydrophobicContact CE1-CG2 3.32Å; F420-V444 HydrophobicContact CG-CG2 4.34Å; F420-V444 HydrophobicContact CZ-CG2 4.22Å; F420-S489 WeakPolarHBondContact CE1-OG 3.29Å; F420-I492 HydrophobicContact CE2-CD1 4.06Å; F420-I492 HydrophobicContact CZ-CD1 3.94Å
421	H	98.1	Very high	93.8	Very high	12 Å²	12	25 Å²	25	6%	0.056	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.7	156.7	-61.3	82.8	0	0	0	109.4	F245 L401 Q419 V442 H443 N596	F245-H421 AromaticContact CD2-CD2 3.91Å; F245-H421 HydrophobicContact CE2-CB 4.47Å; F245-H421 AromaticContact CE2-CD2 3.48Å; F245-H421 VanDerWaalsContact CE2-CD2 3.48Å; F245-H421 WeakPolarHBondContact CE2-CD2 3.18Å; F245-H421 AromaticContact CE2-CG 3.97Å; L401-H421 HydrophobicContact CD2-CB 3.95Å; Q419-H421 PolarHBondContact NE2-CE1 3.37Å; Q419-H421 PolarHBondContact NE2-NE2 3.42Å; H421-V442 CarbonylContact O-C 3.48Å; H421-V442 WeakPolarHBondContact O-CA 3.4Å; H421-H443 HydrophobicContact CB-CB 4.1Å; H421-H443 PolarHBondContact N-O 3.22Å; H421-H443 PolarHBondContact O-N 3.06Å; H421-N596 PolarHBondContact NE2-ND2 3.32Å; H421-N596 PolarHBondContact NE2-OD1 3.43Å
422	F	98.3	Very high	93.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	135.4	177	-179.3	-92.2	0	0	0	110.6	L215 H216 W219 S403 F440 F493	L215-F422 HydrophobicContact CB-CE1 3.71Å; L215-F422 HydrophobicContact CB-CZ 3.85Å; H216-F422 AromaticContact CE1-CD1 3.88Å; H216-F422 AromaticContact ND1-CD1 3.52Å; W219-F422 HydrophobicContact CB-CB 4.44Å; W219-F422 HydrophobicContact CB-CD1 4.13Å; W219-F422 HydrophobicContact CB-CD2 3.85Å; W219-F422 HydrophobicContact CB-CE1 4.36Å; W219-F422 HydrophobicContact CB-CE2 4.08Å; W219-F422 HydrophobicContact CB-CG 3.86Å; W219-F422 HydrophobicContact CB-CZ 4.33Å; W219-F422 HydrophobicContact CD2-CB 3.84Å; W219-F422 AromaticContact CD2-CD2 3.54Å; W219-F422 HydrophobicContact CD2-CD2 3.54Å; W219-F422 HydrophobicContact CD2-CE2 4.35Å; W219-F422 AromaticContact CD2-CG 3.86Å; W219-F422 HydrophobicContact CD2-CG 3.86Å; W219-F422 HydrophobicContact CE3-CB 4.43Å; W219-F422 AromaticContact CE3-CD2 3.37Å; W219-F422 HydrophobicContact CE3-CD2 3.37Å; W219-F422 AromaticContact CE3-CE2 3.95Å; W219-F422 HydrophobicContact CE3-CE2 3.95Å; W219-F422 HydrophobicContact CE3-CG 4.18Å; W219-F422 HydrophobicContact CG-CB 3.8Å; W219-F422 HydrophobicContact CG-CD1 4.38Å; W219-F422 AromaticContact CG-CD2 3.74Å; W219-F422 HydrophobicContact CG-CD2 3.74Å; W219-F422 HydrophobicContact CG-CE2 4.43Å; W219-F422 AromaticContact CG-CG 3.69Å; W219-F422 HydrophobicContact CG-CG 3.69Å; W219-F422 HydrophobicContact CZ3-CD2 4.17Å; S403-F422 WeakPolarHBondContact O-CB 3.44Å; S403-F422 PolarHBondContact O-N 3.02Å; F422-F440 HydrophobicContact CE2-CB 4.27Å; F422-F440 AromaticContact CE2-CD2 3.68Å; F422-F440 HydrophobicContact CE2-CD2 3.68Å; F422-F440 HydrophobicContact CE2-CE2 4.35Å; F422-F440 HydrophobicContact CE2-CG 4.19Å; F422-F440 HydrophobicContact CZ-CB 3.92Å; F422-F440 AromaticContact CZ-CD2 3.99Å; F422-F440 HydrophobicContact CZ-CD2 3.99Å; F422-F440 HydrophobicContact CZ-CG 4.03Å; F422-F493 HydrophobicContact CD2-CE1 4.45Å; F422-F493 HydrophobicContact CE2-CE1 4.22Å
423	L	97	Very high	92.8	Very high	11 Å²	11	29.8 Å²	29.8	6%	0.058	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	125.6	-179.6	-176.7	72.2	0	0	0	110.5	H400 L401 S425 I427 F440 Q441	H400-L423 HydrophobicContact CB-CD1 4.01Å; L401-L423 HydrophobicContact CD2-CB 4.02Å; L401-L423 HydrophobicContact CD2-CD1 3.86Å; L401-L423 HydrophobicContact CD2-CG 4.42Å; L401-L423 HydrophobicContact CG-CD1 4.24Å; L423-S425 PolarHBondContact O-N 2.81Å; L423-I427 HydrophobicContact CD2-CD1 3.82Å; L423-I427 HydrophobicContact CD2-CG1 3.53Å; L423-F440 WeakPolarHBondContact O-CA 3.13Å; L423-F440 WeakPolarHBondContact O-CB 3.43Å; L423-Q441 HydrophobicContact CB-CG 4.16Å; L423-Q441 HydrophobicContact CD2-CG 4.42Å; L423-Q441 PolarHBondContact N-O 2.63Å; L423-Q441 PolarHBondContact O-N 3.3Å
424	P	96.9	Very high	92.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-78.2	48.1	174	33.7	-36.3	0	0	0	112.1	L215 T369 L370	L215-P424 HydrophobicContact CB-CB 4.39Å; L215-P424 HydrophobicContact CD1-CB 3.75Å; T369-P424 VanDerWaalsContact CB-O 3.3Å; T369-P424 WeakPolarHBondContact CB-O 3.49Å; L370-P424 HydrophobicContact CD1-CG 4.39Å; L370-P424 HydrophobicContact CG-CG 4.38Å; L370-P424 PolarHBondContact N-O 2.85Å
425	S	95.4	Very high	92.4	Very high	19 Å²	19	29.9 Å²	29.9	13%	0.133	15%	0.147	C	C	.	.	S	Bend	trans	-161.7	175.4	177.8	-166.3	0	0	0	0	109.3	L423 A439 F440 Q441	L423-S425 PolarHBondContact O-N 2.81Å; S425-A439 CarbonylContact C-O 3.58Å; S425-A439 VanDerWaalsContact CA-O 3.29Å; S425-A439 WeakPolarHBondContact CA-O 3.41Å; S425-A439 PolarHBondContact N-O 3.25Å; S425-F440 CarbonylContact O-C 3.52Å; S425-Q441 VanDerWaalsContact O-CG 3.32Å; S425-Q441 WeakPolarHBondContact O-CG 3.4Å; S425-Q441 PolarHBondContact O-N 3.22Å
426	T	94.3	Very high	92.3	Very high	12 Å²	12	34.8 Å²	34.8	7%	0.074	17%	0.174	C	C	.	.			trans	-105.3	154.1	161.2	57.6	0	0	0	0	111.5	Q361 H428 A439 Q441	Q361-T426 HydrophobicContact CB-CG2 4.31Å; Q361-T426 HydrophobicContact CG-CG2 4.14Å; T426-H428 VanDerWaalsContact CB-NE2 3.32Å; T426-H428 WeakPolarHBondContact CB-NE2 3.47Å; T426-H428 PolarHBondContact OG1-NE2 3.43Å; T426-A439 HydrophobicContact CG2-CB 3.49Å; T426-A439 VanDerWaalsContact CG2-CB 3.49Å; T426-Q441 VanDerWaalsContact CA-OE1 3.26Å
427	I	91.7	Very high	92.2	Very high	32 Å²	32	38.3 Å²	38.3	16%	0.164	19%	0.19	C	C	.	.			trans	-118.8	127.8	171	-60.5	-64.8	0	0	0	108.1	Y359 Q361 L423	Y359-I427 HydrophobicContact CD2-CB 4.3Å; Y359-I427 WeakPolarHBondContact CD2-O 3.22Å; Y359-I427 HydrophobicContact CE2-CB 3.9Å; Y359-I427 HydrophobicContact CE2-CG2 3.84Å; Q361-I427 PolarHBondContact NE2-O 3.22Å; L423-I427 HydrophobicContact CD2-CD1 3.82Å; L423-I427 HydrophobicContact CD2-CG1 3.53Å
428	H	89.7	Confident	92.2	Very high	57 Å²	57	39.8 Å²	39.8	26%	0.264	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-130	136.9	175.2	-53.8	-83.4	0	0	0	109.7	Q361 T426 H430 G431 R432 K433	Q361-H428 PolarHBondContact OE1-CE1 3.44Å; Q361-H428 VanDerWaalsContact OE1-CE1 3.3Å; T426-H428 VanDerWaalsContact CB-NE2 3.32Å; T426-H428 WeakPolarHBondContact CB-NE2 3.47Å; T426-H428 PolarHBondContact OG1-NE2 3.43Å; H428-H430 PolarHBondContact O-N 3.17Å; H428-G431 CarbonylContact O-C 3.52Å; H428-G431 WeakPolarHBondContact O-CA 3.33Å; H428-G431 PolarHBondContact O-N 3.27Å; H428-R432 PolarHBondContact O-N 3.31Å; H428-K433 HydrophobicContact CB-CB 3.96Å; H428-K433 HydrophobicContact CB-CG 4.33Å; H428-K433 PolarHBondContact O-N 2.86Å; H428-K433 VanDerWaalsContact O-N 3.14Å
429	D	85.8	Confident	92.2	Very high	84 Å²	84	39.8 Å²	39.8	45%	0.449	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	51.1	179.3	-172.2	33.4	0	0	0	112.8	G431 R432 K433	D429-G431 PolarHBondContact O-N 3.41Å; D429-G431 VanDerWaalsContact O-N 3.14Å; D429-R432 HydrophobicContact CB-CB 4.33Å; D429-R432 VanDerWaalsContact CG-NE 3.31Å; D429-R432 WeakPolarHBondContact O-CB 3.28Å; D429-R432 VanDerWaalsContact O-CG 3.31Å; D429-R432 WeakPolarHBondContact O-CG 3.4Å; D429-R432 PolarHBondContact O-N 2.91Å; D429-R432 PolarHBondContact O-NE 3.01Å; D429-R432 VanDerWaalsContact O-NE 3.11Å; D429-R432 IonicContact OD1-CZ 3.94Å; D429-R432 IonicContact OD1-NE 2.87Å; D429-R432 PolarHBondContact OD1-NE 2.82Å; D429-R432 IonicContact OD1-NH2 3.55Å; D429-R432 PolarHBondContact OD1-NH2 3.49Å; D429-R432 WeakPolarHBondContact OD2-CB 3.33Å; D429-R432 IonicContact OD2-CZ 3.7Å; D429-R432 IonicContact OD2-NE 2.6Å; D429-R432 PolarHBondContact OD2-NE 2.98Å; D429-R432 IonicContact OD2-NH2 2.95Å; D429-K433 HydrophobicContact CB-CB 4.15Å
430	H	84.5	Confident	92.2	Very high	14 Å²	14	39.7 Å²	39.7	7%	0.065	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	39.5	-173	-43.1	-87	0	0	0	112.5	M112 Y138 H428 R432 D528 Y531	M112-H430 WeakPolarHBondContact CE-O 3.38Å; Y138-H430 HydrophobicContact CD1-CB 4.24Å; Y138-H430 AromaticContact CD1-CD2 3.67Å; Y138-H430 AromaticContact CD1-CG 3.82Å; Y138-H430 AromaticContact CD1-NE2 3.92Å; Y138-H430 HydrophobicContact CE1-CB 4.4Å; H428-H430 PolarHBondContact O-N 3.17Å; H430-R432 PolarHBondContact CD2-NH2 2.93Å; H430-R432 PolarHBondContact O-N 3.41Å; H430-D528 IonicContact CE1-OD1 2.68Å; H430-D528 PolarHBondContact CE1-OD1 3.46Å; H430-D528 VanDerWaalsContact CE1-OD1 3.25Å; H430-D528 IonicContact CE1-OD2 3.42Å; H430-D528 PolarHBondContact CE1-OD2 3.36Å; H430-D528 IonicContact NE2-OD1 3.4Å; H430-D528 IonicContact NE2-OD2 3.3Å; H430-Y531 PolarHBondContact CE1-OH 2.85Å; H430-Y531 VanDerWaalsContact CG-OH 3.26Å; H430-Y531 AromaticContact ND1-CZ 3.74Å; H430-Y531 PolarHBondContact ND1-OH 3.28Å
431	G	83.2	Confident	92.1	Very high	13 Å²	13	39.7 Å²	39.7	13%	0.134	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	14.6	-177.5	0	0	0	0	0	116.2	Y116 H428 D429	Y116-G431 PolarHBondContact OH-O 3.1Å; H428-G431 CarbonylContact O-C 3.52Å; H428-G431 WeakPolarHBondContact O-CA 3.33Å; H428-G431 PolarHBondContact O-N 3.27Å; D429-G431 PolarHBondContact O-N 3.41Å; D429-G431 VanDerWaalsContact O-N 3.14Å
432	R	80.1	Confident	92.2	Very high	88 Å²	88	39.1 Å²	39.1	33%	0.332	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-25.6	166.9	-66.1	179.4	-71.4	-162	2.9	112.1	Y116 H428 D429 H430	Y116-R432 HydrophobicContact CD1-CG 3.59Å; Y116-R432 HydrophobicContact CE1-CB 4.07Å; Y116-R432 HydrophobicContact CE1-CG 3.45Å; Y116-R432 VanDerWaalsContact CE1-CG 3.45Å; H428-R432 PolarHBondContact O-N 3.31Å; D429-R432 HydrophobicContact CB-CB 4.33Å; D429-R432 VanDerWaalsContact CG-NE 3.31Å; D429-R432 WeakPolarHBondContact O-CB 3.28Å; D429-R432 VanDerWaalsContact O-CG 3.31Å; D429-R432 WeakPolarHBondContact O-CG 3.4Å; D429-R432 PolarHBondContact O-N 2.91Å; D429-R432 PolarHBondContact O-NE 3.01Å; D429-R432 VanDerWaalsContact O-NE 3.11Å; D429-R432 IonicContact OD1-CZ 3.94Å; D429-R432 IonicContact OD1-NE 2.87Å; D429-R432 PolarHBondContact OD1-NE 2.82Å; D429-R432 IonicContact OD1-NH2 3.55Å; D429-R432 PolarHBondContact OD1-NH2 3.49Å; D429-R432 WeakPolarHBondContact OD2-CB 3.33Å; D429-R432 IonicContact OD2-CZ 3.7Å; D429-R432 IonicContact OD2-NE 2.6Å; D429-R432 PolarHBondContact OD2-NE 2.98Å; D429-R432 IonicContact OD2-NH2 2.95Å; H430-R432 PolarHBondContact CD2-NH2 2.93Å; H430-R432 PolarHBondContact O-N 3.41Å
433	K	85.8	Confident	92.1	Very high	144 Å²	144	40 Å²	40	63%	0.626	20%	0.198	S	C	*	.	B	Isolated β-bridge	trans	-110	130.4	175.6	-175.5	175.3	176.2	-178	0	110.5	H428 D429	H428-K433 HydrophobicContact CB-CB 3.96Å; H428-K433 HydrophobicContact CB-CG 4.33Å; H428-K433 PolarHBondContact O-N 2.86Å; H428-K433 VanDerWaalsContact O-N 3.14Å; D429-K433 HydrophobicContact CB-CB 4.15Å
434	M	85.2	Confident	92.2	Very high	110 Å²	110	39.5 Å²	39.5	54%	0.542	20%	0.196	S	C	.	.			trans	-80	142.1	-179.7	-161.2	63.8	84.8	0	0	111	Q374	Q374-M434 HydrophobicContact CB-CE 4.2Å; Q374-M434 VanDerWaalsContact CD-SD 3.56Å; Q374-M434 HydrophobicContact CG-CE 3.79Å; Q374-M434 HydrophobicContact CG-CG 3.8Å; Q374-M434 HydrophobicContact CG-SD 3.62Å; Q374-M434 PolarHBondContact NE2-SD 3.46Å; Q374-M434 VanDerWaalsContact NE2-SD 3.38Å; Q374-M434 VanDerWaalsContact OE1-CG 3.31Å
435	G	89.8	Confident	92.2	Very high	7 Å²	7	39.6 Å²	39.6	7%	0.072	20%	0.196	C	C	.	.			trans	-67.1	150.9	171.5	0	0	0	0	0	112	Y371 Q374	Y371-G435 WeakPolarHBondContact CE2-O 3.49Å; Q374-G435 PolarHBondContact NE2-O 3.23Å
436	D	92.5	Very high	92.3	Very high	121 Å²	121	38.7 Å²	38.7	65%	0.647	19%	0.19	S	C	*	.	S	Bend	trans	-98.4	-8.9	-171.2	62.9	-2.8	0	0	0	114.8	Y371	Y371-D436 VanDerWaalsContact CE2-O 3.24Å; Y371-D436 WeakPolarHBondContact CE2-O 3.47Å; Y371-D436 PolarHBondContact OH-O 2.84Å
437	Q	95.5	Very high	92.5	Very high	76 Å²	76	38.3 Å²	38.3	36%	0.355	19%	0.187	S	C	.	.	S	Bend	trans	-147.4	171.1	-179	67.7	-167.5	-61.6	0	0	113.3	Y371 A439 L507	Y371-Q437 VanDerWaalsContact CD2-C 3.46Å; Y371-Q437 VanDerWaalsContact CD2-O 3.28Å; Y371-Q437 WeakPolarHBondContact CD2-O 3.43Å; Y371-Q437 VanDerWaalsContact CE2-N 3.28Å; Q437-A439 HydrophobicContact CG-CB 4.42Å; Q437-A439 PolarHBondContact O-N 3.11Å; Q437-L507 HydrophobicContact CG-CD1 4.3Å
438	H	97.6	Very high	92.7	Very high	32 Å²	32	38.5 Å²	38.5	15%	0.148	19%	0.186	C	C	.	.	S	Bend	trans	-65.6	115.6	168	-81	-70.7	0	0	0	110	C364 P367 T369 Y371	C364-H438 HydrophobicContact CB-CB 4.27Å; C364-H438 PolarHBondContact N-O 3.28Å; P367-H438 VanDerWaalsContact C-CE1 3.44Å; P367-H438 VanDerWaalsContact CA-CE1 3.5Å; P367-H438 WeakPolarHBondContact CA-CE1 3.31Å; P367-H438 WeakPolarHBondContact CA-NE2 3.34Å; P367-H438 WeakPolarHBondContact CB-NE2 3.2Å; T369-H438 HydrophobicContact CG2-CB 4.3Å; T369-H438 WeakPolarHBondContact OG1-CA 3.28Å; T369-H438 PolarHBondContact OG1-ND1 3.08Å; Y371-H438 AromaticContact CD1-CD2 3.75Å; Y371-H438 AromaticContact CD1-CE1 3.98Å; Y371-H438 AromaticContact CD1-NE2 3.76Å
439	A	98.1	Very high	92.9	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	162.2	-179.3	0	0	0	0	0	110.9	Q362 T369 S425 T426 Q437 L507	Q362-A439 CarbonylContact O-C 3.6Å; Q362-A439 WeakPolarHBondContact O-CA 3.35Å; Q362-A439 VanDerWaalsContact O-CB 3.23Å; Q362-A439 WeakPolarHBondContact O-CB 3.18Å; T369-A439 WeakPolarHBondContact CB-O 3.17Å; T369-A439 WeakPolarHBondContact CG2-O 3.13Å; S425-A439 CarbonylContact C-O 3.58Å; S425-A439 VanDerWaalsContact CA-O 3.29Å; S425-A439 WeakPolarHBondContact CA-O 3.41Å; S425-A439 PolarHBondContact N-O 3.25Å; T426-A439 HydrophobicContact CG2-CB 3.49Å; T426-A439 VanDerWaalsContact CG2-CB 3.49Å; Q437-A439 HydrophobicContact CG-CB 4.42Å; Q437-A439 PolarHBondContact O-N 3.11Å; A439-L507 HydrophobicContact CB-CD1 3.75Å
440	F	98	Very high	93.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	162.8	170.2	58.1	-100.6	0	0	0	109.4	L215 Q362 C364 F422 L423 S425 F493 L498 F502 A503	L215-F440 HydrophobicContact CD1-CB 4.28Å; L215-F440 HydrophobicContact CD1-CD1 4.16Å; L215-F440 HydrophobicContact CD2-CD1 4.1Å; L215-F440 HydrophobicContact CD2-CE1 4.3Å; Q362-F440 HydrophobicContact CB-CD2 4.12Å; Q362-F440 HydrophobicContact CB-CE1 4.36Å; Q362-F440 HydrophobicContact CB-CE2 3.56Å; Q362-F440 HydrophobicContact CB-CZ 3.71Å; Q362-F440 HydrophobicContact CG-CE2 4.35Å; Q362-F440 HydrophobicContact CG-CZ 4.11Å; Q362-F440 PolarHBondContact N-O 3.34Å; Q362-F440 PolarHBondContact O-N 2.85Å; C364-F440 HydrophobicContact CB-CD1 3.9Å; C364-F440 HydrophobicContact CB-CE1 4.22Å; F422-F440 HydrophobicContact CE2-CB 4.27Å; F422-F440 AromaticContact CE2-CD2 3.68Å; F422-F440 HydrophobicContact CE2-CD2 3.68Å; F422-F440 HydrophobicContact CE2-CE2 4.35Å; F422-F440 HydrophobicContact CE2-CG 4.19Å; F422-F440 HydrophobicContact CZ-CB 3.92Å; F422-F440 AromaticContact CZ-CD2 3.99Å; F422-F440 HydrophobicContact CZ-CD2 3.99Å; F422-F440 HydrophobicContact CZ-CG 4.03Å; L423-F440 WeakPolarHBondContact O-CA 3.13Å; L423-F440 WeakPolarHBondContact O-CB 3.43Å; S425-F440 CarbonylContact O-C 3.52Å; F440-F493 HydrophobicContact CD2-CE1 4.08Å; F440-F493 AromaticContact CD2-CZ 3.98Å; F440-F493 HydrophobicContact CD2-CZ 3.98Å; F440-F493 HydrophobicContact CE2-CD1 4.06Å; F440-F493 AromaticContact CE2-CE1 3.75Å; F440-F493 HydrophobicContact CE2-CE1 3.75Å; F440-F493 HydrophobicContact CE2-CE2 4.29Å; F440-F493 HydrophobicContact CE2-CG 4.43Å; F440-F493 AromaticContact CE2-CZ 3.89Å; F440-F493 HydrophobicContact CE2-CZ 3.89Å; F440-L498 HydrophobicContact CE2-CD2 4.47Å; F440-L498 HydrophobicContact CZ-CD2 4.23Å; F440-F502 HydrophobicContact CE1-CB 4.1Å; F440-A503 HydrophobicContact CZ-CB 3.95Å
441	Q	97.9	Very high	93.5	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	166	-179	77.7	-179.1	25.9	0	0	112.2	V360 Q361 L423 S425 T426 H443	V360-Q441 CarbonylContact O-C 3.57Å; V360-Q441 WeakPolarHBondContact O-CA 3.46Å; V360-Q441 WeakPolarHBondContact O-CB 3.35Å; Q361-Q441 HydrophobicContact CB-CB 4.35Å; Q361-Q441 HydrophobicContact CG-CB 3.77Å; L423-Q441 HydrophobicContact CB-CG 4.16Å; L423-Q441 HydrophobicContact CD2-CG 4.42Å; L423-Q441 PolarHBondContact N-O 2.63Å; L423-Q441 PolarHBondContact O-N 3.3Å; S425-Q441 VanDerWaalsContact O-CG 3.32Å; S425-Q441 WeakPolarHBondContact O-CG 3.4Å; S425-Q441 PolarHBondContact O-N 3.22Å; T426-Q441 VanDerWaalsContact CA-OE1 3.26Å; Q441-H443 PolarHBondContact NE2-CD2 3.35Å; Q441-H443 PolarHBondContact NE2-NE2 2.99Å
442	V	98.2	Very high	94	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.2	163.9	67.6	0	0	0	0	109.8	W219 Y359 V360 F420 H421 F493	W219-V442 HydrophobicContact CH2-CB 4.09Å; W219-V442 HydrophobicContact CH2-CG1 4.42Å; W219-V442 HydrophobicContact CH2-CG2 3.65Å; W219-V442 HydrophobicContact CZ2-CG2 4.05Å; W219-V442 HydrophobicContact CZ3-CB 4.18Å; W219-V442 HydrophobicContact CZ3-CG2 4.21Å; Y359-V442 WeakPolarHBondContact CA-O 3.3Å; V360-V442 HydrophobicContact CB-CG1 4.02Å; V360-V442 PolarHBondContact N-O 3.04Å; V360-V442 VanDerWaalsContact N-O 3.09Å; V360-V442 PolarHBondContact O-N 2.84Å; F420-V442 HydrophobicContact CB-CG2 3.57Å; F420-V442 HydrophobicContact CD1-CG1 4.46Å; F420-V442 HydrophobicContact CD1-CG2 3.51Å; F420-V442 HydrophobicContact CG-CG2 3.97Å; H421-V442 CarbonylContact O-C 3.48Å; H421-V442 WeakPolarHBondContact O-CA 3.4Å; V442-F493 HydrophobicContact CB-CZ 4.12Å; V442-F493 HydrophobicContact CG1-CE2 4.37Å; V442-F493 HydrophobicContact CG1-CZ 3.9Å
443	H	97.8	Very high	94.6	Very high	19 Å²	19	35.9 Å²	35.9	9%	0.088	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	121.1	166.1	-59.6	-146.6	0	0	0	106.9	E357 L358 Y359 F420 H421 Q441	E357-H443 IonicContact OE1-ND1 3.92Å; E357-H443 IonicContact OE2-ND1 2.92Å; L358-H443 WeakPolarHBondContact O-CA 3.1Å; Y359-H443 HydrophobicContact CD1-CB 4.11Å; Y359-H443 AromaticContact CD1-CD2 3.73Å; Y359-H443 AromaticContact CD1-CG 3.62Å; Y359-H443 AromaticContact CD1-ND1 3.87Å; Y359-H443 HydrophobicContact CE1-CB 4.13Å; Y359-H443 AromaticContact CE1-CD2 3.84Å; Y359-H443 AromaticContact CE1-CE1 3.41Å; Y359-H443 VanDerWaalsContact CE1-CE1 3.41Å; Y359-H443 WeakPolarHBondContact CE1-CE1 3.46Å; Y359-H443 AromaticContact CE1-CG 3.46Å; Y359-H443 VanDerWaalsContact CE1-CG 3.46Å; Y359-H443 AromaticContact CE1-ND1 3.21Å; Y359-H443 WeakPolarHBondContact CE1-ND1 3.26Å; Y359-H443 AromaticContact CE1-NE2 3.82Å; Y359-H443 AromaticContact CZ-CE1 3.87Å; F420-H443 CarbonylContact C-O 3.55Å; F420-H443 VanDerWaalsContact CA-O 3.27Å; F420-H443 WeakPolarHBondContact CA-O 3.32Å; H421-H443 HydrophobicContact CB-CB 4.1Å; H421-H443 PolarHBondContact N-O 3.22Å; H421-H443 PolarHBondContact O-N 3.06Å; Q441-H443 PolarHBondContact NE2-CD2 3.35Å; Q441-H443 PolarHBondContact NE2-NE2 2.99Å
444	V	98.4	Very high	95	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	141.6	-176.3	67	0	0	0	0	111.3	E357 L358 V360 I418 Q419 F420 A485	E357-V444 CarbonylContact C-O 3.58Å; E357-V444 VanDerWaalsContact CA-O 3.31Å; E357-V444 WeakPolarHBondContact CA-O 3.43Å; L358-V444 HydrophobicContact CD1-CG1 3.73Å; L358-V444 HydrophobicContact CG-CG1 4.32Å; L358-V444 PolarHBondContact N-O 2.97Å; L358-V444 PolarHBondContact O-N 3.13Å; V360-V444 HydrophobicContact CG2-CG1 4.23Å; I418-V444 HydrophobicContact CD1-CG2 4.49Å; Q419-V444 WeakPolarHBondContact O-CA 3.38Å; F420-V444 HydrophobicContact CD1-CB 3.76Å; F420-V444 HydrophobicContact CD1-CG2 3.39Å; F420-V444 HydrophobicContact CE1-CB 4.03Å; F420-V444 HydrophobicContact CE1-CG2 3.32Å; F420-V444 HydrophobicContact CG-CG2 4.34Å; F420-V444 HydrophobicContact CZ-CG2 4.22Å; V444-A485 HydrophobicContact CB-CB 4.41Å; V444-A485 HydrophobicContact CG1-CB 4.04Å; V444-A485 HydrophobicContact CG2-CB 3.6Å
445	G	97.6	Very high	95.5	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177	172.1	170.7	0	0	0	0	0	113.2	L356 I418 Q419 M447	L356-G445 WeakPolarHBondContact O-CA 3.41Å; I418-G445 WeakPolarHBondContact CA-O 3.34Å; Q419-G445 PolarHBondContact N-O 3.4Å; G445-M447 VanDerWaalsContact O-CE 3.31Å; G445-M447 WeakPolarHBondContact O-CE 3.42Å
446	P	97.4	Very high	95.7	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	137.5	177.8	29.7	-34.7	0	0	0	111.4	N417 S449 E481 M482	N417-P446 CarbonylContact O-C 3.53Å; N417-P446 WeakPolarHBondContact O-CA 3.32Å; P446-S449 WeakPolarHBondContact CG-OG 3.24Å; P446-E481 HydrophobicContact CB-CB 4.02Å; P446-E481 WeakPolarHBondContact CB-OE2 3.1Å; P446-E481 HydrophobicContact CG-CB 4.5Å; P446-M482 WeakPolarHBondContact CD-SD 3.32Å; P446-M482 HydrophobicContact CG-CG 4.24Å; P446-M482 HydrophobicContact CG-SD 4.04Å
447	M	97.6	Very high	95.8	Very high	3 Å²	3	19 Å²	19	2%	0.015	8%	0.084	C	C	.	.	S	Bend	trans	-96.8	-8.3	-179.5	-60.4	-67.9	99.2	0	0	112.8	H355 N417 Q419 G445 I592	H355-M447 HydrophobicContact CB-CE 3.91Å; H355-M447 VanDerWaalsContact CD2-CA 3.46Å; H355-M447 WeakPolarHBondContact CD2-CA 3.45Å; H355-M447 PolarHBondContact CD2-O 3.26Å; H355-M447 PolarHBondContact NE2-O 3.12Å; N417-M447 PolarHBondContact O-N 3.36Å; Q419-M447 HydrophobicContact CB-CE 3.89Å; Q419-M447 HydrophobicContact CB-CG 3.79Å; Q419-M447 HydrophobicContact CB-SD 3.49Å; Q419-M447 WeakPolarHBondContact CB-SD 3.32Å; Q419-M447 HydrophobicContact CG-SD 4.44Å; Q419-M447 PolarHBondContact OE1-SD 3.49Å; G445-M447 VanDerWaalsContact O-CE 3.31Å; G445-M447 WeakPolarHBondContact O-CE 3.42Å; M447-I592 WeakPolarHBondContact O-CG2 3.39Å
448	R	95.3	Very high	95.4	Very high	37 Å²	37	16.9 Å²	16.9	14%	0.14	8%	0.077	C	C	.	.	S	Bend	trans	-141	40.6	-176	-60.2	-169.4	-60	-99.8	5.6	112.2	D163 H415 P416 S594	D163-R448 WeakPolarHBondContact OD1-CD 3.33Å; D163-R448 IonicContact OD1-NH1 2.81Å; H415-R448 PolarHBondContact CD2-NH1 3.28Å; H415-R448 VanDerWaalsContact NE2-CZ 3.32Å; H415-R448 PolarHBondContact NE2-NH1 3.01Å; H415-R448 PolarHBondContact O-NH2 2.8Å; P416-R448 PolarHBondContact O-NH1 2.79Å; R448-S594 WeakPolarHBondContact CD-OG 3.32Å; R448-S594 PolarHBondContact NH1-OG 3.29Å
449	S	94.2	Very high	94.5	Very high	19 Å²	19	19.1 Å²	19.1	13%	0.133	10%	0.095	C	C	.	.			trans	-45.9	144.3	174.6	-56.9	0	0	0	0	111.4	P446 R452	P446-S449 WeakPolarHBondContact CG-OG 3.24Å; S449-R452 PolarHBondContact O-NH1 2.55Å
450	R	91.2	Very high	93.3	Very high	139 Å²	139	23.8 Å²	23.8	53%	0.525	13%	0.133	S	C	.	.	S	Bend	trans	-81.1	-27.7	178.1	-71.5	-165.6	176.6	-170.1	-0.1	113.1	R452 C475 T477 D478	R450-R452 VanDerWaalsContact C-NH1 3.26Å; R450-R452 PolarHBondContact O-NH1 2.75Å; R450-C475 HydrophobicContact CB-CB 3.97Å; R450-T477 WeakPolarHBondContact CD-OG1 3.15Å; R450-D478 PolarHBondContact N-OD1 3.4Å; R450-D478 PolarHBondContact N-OD2 3.31Å
451	S	92.4	Very high	92.2	Very high	8 Å²	8	25 Å²	25	6%	0.056	14%	0.142	C	C	.	.			trans	-56.5	142.8	178.9	-57.1	0	0	0	0	111.9	N471 A474 C475 D478	S451-N471 VanDerWaalsContact CB-O 3.24Å; S451-N471 WeakPolarHBondContact CB-O 3.25Å; S451-A474 PolarHBondContact OG-N 3.34Å; S451-C475 PolarHBondContact OG-N 3.27Å; S451-D478 WeakPolarHBondContact CB-OD2 3.48Å; S451-D478 PolarHBondContact N-OD2 3.29Å; S451-D478 PolarHBondContact OG-OD2 3.33Å
452	R	93	Very high	90.5	Very high	33 Å²	33	32 Å²	32	13%	0.125	18%	0.178	C	C	.	.			trans	-130.6	127.9	-178.6	-65.8	-65.3	-178.7	-89.7	3.7	110.6	N351 Q353 S449 R450 G557 Y558	N351-R452 VanDerWaalsContact OD1-CD 3.29Å; N351-R452 WeakPolarHBondContact OD1-CD 3.46Å; N351-R452 PolarHBondContact OD1-NE 2.81Å; Q353-R452 VanDerWaalsContact CD-NE 3.27Å; Q353-R452 VanDerWaalsContact CG-CD 3.43Å; S449-R452 PolarHBondContact O-NH1 2.55Å; R450-R452 VanDerWaalsContact C-NH1 3.26Å; R450-R452 PolarHBondContact O-NH1 2.75Å; R452-G557 PolarHBondContact N-O 3.13Å; R452-Y558 HydrophobicContact CB-CD1 4.32Å; R452-Y558 HydrophobicContact CB-CD2 3.89Å; R452-Y558 HydrophobicContact CB-CE1 4.44Å; R452-Y558 HydrophobicContact CB-CE2 4.07Å; R452-Y558 HydrophobicContact CB-CG 4.06Å; R452-Y558 HydrophobicContact CG-CD2 3.83Å; R452-Y558 HydrophobicContact CG-CE2 3.58Å; R452-Y558 HydrophobicContact CG-CG 4.47Å
453	G	93.8	Very high	88.7	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.01	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-100.3	-166	178.7	0	0	0	0	0	114	N351 L352 D469 P470	N351-G453 PolarHBondContact N-O 2.93Å; L352-G453 VanDerWaalsContact CB-C 3.42Å; L352-G453 PolarHBondContact N-O 3.34Å; L352-G453 PolarHBondContact O-N 3.09Å; G453-D469 CarbonylContact C-O 3.6Å; G453-D469 WeakPolarHBondContact CA-O 3.41Å; G453-P470 PolarHBondContact N-O 3.32Å
454	Q	94.4	Very high	87.5	Confident	14 Å²	14	38.7 Å²	38.7	7%	0.065	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	158	174	60	-174.2	-25.5	0	0	113.6	G349 L456 D469 L559	G349-Q454 CarbonylContact O-C 3.58Å; G349-Q454 WeakPolarHBondContact O-CA 3.44Å; Q454-L456 HydrophobicContact CG-CD1 4.33Å; Q454-L456 HydrophobicContact CG-CG 4.23Å; Q454-D469 HydrophobicContact CG-CB 4.32Å; Q454-D469 PolarHBondContact N-O 2.89Å; Q454-D469 PolarHBondContact O-N 3.37Å; Q454-L559 HydrophobicContact CG-CB 4.39Å; Q454-L559 HydrophobicContact CG-CD1 4.24Å
455	I	95.5	Very high	87	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.5	167.4	-56.5	-65	0	0	0	107.5	I317 P320 M324 G349 L352 P466 K467 I468 T536	I317-I455 HydrophobicContact CG1-CD1 4.26Å; P320-I455 HydrophobicContact CG-CB 4.31Å; P320-I455 HydrophobicContact CG-CG2 4.25Å; M324-I455 HydrophobicContact CE-CG2 4.31Å; M324-I455 VanDerWaalsContact CE-O 3.28Å; M324-I455 WeakPolarHBondContact CE-O 3.32Å; G349-I455 WeakPolarHBondContact CA-O 2.9Å; G349-I455 PolarHBondContact O-N 2.81Å; L352-I455 HydrophobicContact CD1-CD1 4.39Å; L352-I455 HydrophobicContact CD1-CG1 4.44Å; L352-I455 HydrophobicContact CD2-CD1 3.75Å; L352-I455 HydrophobicContact CD2-CG1 4.2Å; I455-P466 HydrophobicContact CG2-CB 4Å; I455-K467 WeakPolarHBondContact CA-O 3.34Å; I455-I468 HydrophobicContact CD1-CB 4.11Å; I455-I468 HydrophobicContact CD1-CG1 3.86Å; I455-I468 HydrophobicContact CD1-CG2 3.84Å; I455-T536 HydrophobicContact CG1-CG2 3.79Å
456	L	94.1	Very high	86.8	Confident	14 Å²	14	41.6 Å²	41.6	7%	0.073	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	162.1	178.3	-60.3	175.4	0	0	0	111	Y333 Q454 P466 K467	Y333-L456 HydrophobicContact CD1-CD2 4.12Å; Y333-L456 HydrophobicContact CE1-CB 3.91Å; Y333-L456 HydrophobicContact CE1-CD1 4.35Å; Y333-L456 HydrophobicContact CE1-CD2 3.83Å; Y333-L456 HydrophobicContact CE1-CG 4.25Å; Y333-L456 HydrophobicContact CE2-CD1 4.21Å; Q454-L456 HydrophobicContact CG-CD1 4.33Å; Q454-L456 HydrophobicContact CG-CG 4.23Å; L456-P466 CarbonylContact O-C 3.6Å; L456-P466 WeakPolarHBondContact O-CA 3.27Å; L456-K467 HydrophobicContact CB-CB 4.22Å; L456-K467 HydrophobicContact CD1-CD 4.47Å; L456-K467 PolarHBondContact N-O 2.95Å; L456-K467 PolarHBondContact O-N 2.81Å
457	L	94.1	Very high	86.7	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	142.8	164.4	-61.1	-174.2	0	0	0	110	H321 M324 L325 Y333 L334 I337 I339	H321-L457 WeakPolarHBondContact CD2-CD2 3.24Å; H321-L457 WeakPolarHBondContact NE2-CD2 3.27Å; M324-L457 HydrophobicContact CB-CD1 3.75Å; M324-L457 HydrophobicContact CB-CD2 3.88Å; M324-L457 HydrophobicContact CB-CG 3.64Å; M324-L457 HydrophobicContact CE-CD2 4.45Å; M324-L457 HydrophobicContact SD-CG 4.13Å; L325-L457 HydrophobicContact CD2-CD1 4.14Å; L325-L457 HydrophobicContact CD2-CD2 4.11Å; L325-L457 HydrophobicContact CG-CD2 3.98Å; Y333-L457 PolarHBondContact OH-O 2.74Å; L334-L457 HydrophobicContact CD2-CD1 3.94Å; L334-L457 HydrophobicContact CD2-CG 4.39Å; I337-L457 HydrophobicContact CD1-CB 3.69Å; I337-L457 HydrophobicContact CD1-CD1 4.34Å; I339-L457 HydrophobicContact CD1-CD1 4.08Å; I339-L457 HydrophobicContact CG1-CD1 3.83Å
458	S	87.7	Confident	86.6	Confident	30 Å²	30	45.3 Å²	45.3	21%	0.21	25%	0.248	C	C	.	.			trans	-98.6	124.1	172.5	178.8	0	0	0	0	110.4	A460 S461 G463 A465	S458-A460 PolarHBondContact O-N 3.3Å; S458-A460 PolarHBondContact OG-N 3.28Å; S458-S461 WeakPolarHBondContact CB-OG 3.47Å; S458-S461 PolarHBondContact O-N 3.18Å; S458-S461 PolarHBondContact O-OG 3.09Å; S458-S461 VanDerWaalsContact O-OG 3.08Å; S458-G463 PolarHBondContact O-N 3.44Å; S458-G463 VanDerWaalsContact O-N 3.09Å; S458-A465 WeakPolarHBondContact CB-O 3.44Å
459	P	78.7	Confident	86.6	Confident	79 Å²	79	44.7 Å²	44.7	51%	0.513	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-57.3	-36.6	171.6	-23.7	32.8	0	0	0	112.3	I337 S461 L462	I337-P459 HydrophobicContact CB-CG 4Å; I337-P459 HydrophobicContact CG2-CG 3.62Å; P459-S461 VanDerWaalsContact C-N 3.26Å; P459-S461 PolarHBondContact O-N 3.31Å; P459-L462 PolarHBondContact O-N 2.83Å; P459-L462 VanDerWaalsContact O-N 3.08Å
460	A	72.6	Confident	86.7	Confident	99 Å²	99	44 Å²	44	82%	0.818	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-68	-24.6	-177.7	0	0	0	0	0	113.3	S458	S458-A460 PolarHBondContact O-N 3.3Å; S458-A460 PolarHBondContact OG-N 3.28Å
461	S	73.7	Confident	86.8	Confident	27 Å²	27	37.5 Å²	37.5	19%	0.189	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-94	5.1	175.6	71.7	0	0	0	0	112.6	S458 P459 G463 F464 A465	S458-S461 WeakPolarHBondContact CB-OG 3.47Å; S458-S461 PolarHBondContact O-N 3.18Å; S458-S461 PolarHBondContact O-OG 3.09Å; S458-S461 VanDerWaalsContact O-OG 3.08Å; P459-S461 VanDerWaalsContact C-N 3.26Å; P459-S461 PolarHBondContact O-N 3.31Å; S461-G463 PolarHBondContact O-N 3.46Å; S461-G463 VanDerWaalsContact O-N 3.13Å; S461-G463 PolarHBondContact OG-N 3.14Å; S461-F464 WeakPolarHBondContact O-CB 3.4Å; S461-F464 WeakPolarHBondContact O-CD2 3.41Å; S461-F464 PolarHBondContact O-N 3.36Å; S461-F464 PolarHBondContact OG-N 2.79Å; S461-A465 PolarHBondContact OG-N 3.14Å; S461-A465 PolarHBondContact OG-O 3.28Å
462	L	62.4	Low	87	Confident	145 Å²	145	37.7 Å²	37.7	76%	0.759	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	31.9	-166.6	-58	174.1	0	0	0	111.9	P459 F464	P459-L462 PolarHBondContact O-N 2.83Å; P459-L462 VanDerWaalsContact O-N 3.08Å; L462-F464 HydrophobicContact CB-CD2 4.24Å; L462-F464 HydrophobicContact CB-CE2 4.32Å
463	G	61.3	Low	87.1	Confident	5 Å²	5	36.5 Å²	36.5	5%	0.052	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	5.1	-176.5	0	0	0	0	0	115.8	H321 S458 S461	H321-G463 PolarHBondContact CE1-O 3.14Å; H321-G463 PolarHBondContact NE2-O 2.61Å; S458-G463 PolarHBondContact O-N 3.44Å; S458-G463 VanDerWaalsContact O-N 3.09Å; S461-G463 PolarHBondContact O-N 3.46Å; S461-G463 VanDerWaalsContact O-N 3.13Å; S461-G463 PolarHBondContact OG-N 3.14Å
464	F	73.2	Confident	87	Confident	155 Å²	155	37.2 Å²	37.2	68%	0.68	22%	0.22	S	C	*	.	S	Bend	trans	-77.3	-34	179.9	-72.3	-69.6	0	0	0	113.7	S461 L462	S461-F464 WeakPolarHBondContact O-CB 3.4Å; S461-F464 WeakPolarHBondContact O-CD2 3.41Å; S461-F464 PolarHBondContact O-N 3.36Å; S461-F464 PolarHBondContact OG-N 2.79Å; L462-F464 HydrophobicContact CB-CD2 4.24Å; L462-F464 HydrophobicContact CB-CE2 4.32Å
465	A	86.8	Confident	86.9	Confident	49 Å²	49	36.7 Å²	36.7	41%	0.405	22%	0.218	S	C	.	.	S	Bend	trans	-114.5	129.2	177.2	0	0	0	0	0	110.5	S458 S461	S458-A465 WeakPolarHBondContact CB-O 3.44Å; S461-A465 PolarHBondContact OG-N 3.14Å; S461-A465 PolarHBondContact OG-O 3.28Å
466	P	94	Very high	86.8	Confident	14 Å²	14	41.1 Å²	41.1	9%	0.091	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	147.1	179.5	27.5	-33.3	0	0	0	111.5	Y124 I317 I455 L456 I468	Y124-P466 HydrophobicContact CD1-CG 4.32Å; Y124-P466 HydrophobicContact CE1-CG 4.02Å; I317-P466 HydrophobicContact CG2-CB 4.25Å; I317-P466 HydrophobicContact CG2-CG 3.63Å; I455-P466 HydrophobicContact CG2-CB 4Å; L456-P466 CarbonylContact O-C 3.6Å; L456-P466 WeakPolarHBondContact O-CA 3.27Å; P466-I468 HydrophobicContact CB-CG1 4.24Å; P466-I468 HydrophobicContact CG-CD1 4.23Å; P466-I468 HydrophobicContact CG-CG1 4.12Å
467	K	94.3	Very high	86.7	Confident	81 Å²	81	42.9 Å²	42.9	35%	0.352	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	116.6	161.1	-172.6	-171.5	177.6	-172.5	0	107.8	V127 I455 L456	V127-K467 HydrophobicContact CG1-CD 4.1Å; V127-K467 HydrophobicContact CG1-CG 3.34Å; I455-K467 WeakPolarHBondContact CA-O 3.34Å; L456-K467 HydrophobicContact CB-CB 4.22Å; L456-K467 HydrophobicContact CD1-CD 4.47Å; L456-K467 PolarHBondContact N-O 2.95Å; L456-K467 PolarHBondContact O-N 2.81Å
468	I	96	Very high	86.7	Confident	1 Å²	1	43 Å²	43	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.9	-178.1	-55.8	-178.9	0	0	0	108.8	Y124 T126 V127 W139 I317 L352 I455 P466	Y124-I468 HydrophobicContact CD1-CD1 4.37Å; Y124-I468 HydrophobicContact CD2-CD1 4.26Å; Y124-I468 HydrophobicContact CG-CD1 3.89Å; T126-I468 CarbonylContact C-O 3.58Å; T126-I468 VanDerWaalsContact CA-O 3.28Å; T126-I468 WeakPolarHBondContact CA-O 3.42Å; T126-I468 WeakPolarHBondContact CB-O 3.22Å; T126-I468 HydrophobicContact CG2-CG2 4.26Å; V127-I468 PolarHBondContact N-O 2.94Å; W139-I468 HydrophobicContact CD2-CG2 4.16Å; W139-I468 HydrophobicContact CE3-CD1 4.29Å; W139-I468 HydrophobicContact CE3-CG2 3.44Å; W139-I468 VanDerWaalsContact CE3-CG2 3.44Å; W139-I468 HydrophobicContact CH2-CG2 3.81Å; W139-I468 HydrophobicContact CZ2-CG2 4.44Å; W139-I468 HydrophobicContact CZ3-CG2 3.24Å; I317-I468 HydrophobicContact CD1-CD1 3.96Å; I317-I468 HydrophobicContact CG1-CD1 4.39Å; I317-I468 HydrophobicContact CG2-CD1 4.01Å; I317-I468 HydrophobicContact CG2-CG1 4.47Å; L352-I468 HydrophobicContact CD2-CG2 4.37Å; I455-I468 HydrophobicContact CD1-CB 4.11Å; I455-I468 HydrophobicContact CD1-CG1 3.86Å; I455-I468 HydrophobicContact CD1-CG2 3.84Å; P466-I468 HydrophobicContact CB-CG1 4.24Å; P466-I468 HydrophobicContact CG-CD1 4.23Å; P466-I468 HydrophobicContact CG-CG1 4.12Å
469	D	95.5	Very high	87.1	Confident	24 Å²	24	44.1 Å²	44.1	13%	0.128	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	89.4	-177.4	-167	-0.6	0	0	0	111.1	V127 Q129 G453 Q454 N471 L559	V127-D469 HydrophobicContact CG2-CB 3.65Å; V127-D469 VanDerWaalsContact CG2-CG 3.47Å; Q129-D469 PolarHBondContact NE2-OD1 2.91Å; G453-D469 CarbonylContact C-O 3.6Å; G453-D469 WeakPolarHBondContact CA-O 3.41Å; Q454-D469 HydrophobicContact CG-CB 4.32Å; Q454-D469 PolarHBondContact N-O 2.89Å; Q454-D469 PolarHBondContact O-N 3.37Å; D469-N471 VanDerWaalsContact C-N 3.25Å; D469-N471 PolarHBondContact O-N 3.02Å; D469-N471 PolarHBondContact OD1-N 2.79Å; D469-L559 HydrophobicContact CB-CD1 4.12Å; D469-L559 VanDerWaalsContact CG-CD1 3.41Å; D469-L559 WeakPolarHBondContact OD2-CD1 3.46Å
470	P	95.8	Very high	88	Confident	6 Å²	6	42.3 Å²	42.3	4%	0.039	24%	0.241	C	C	.	.			trans	-70.9	-16	-179.6	27	-34	0	0	0	114.3	T126 Q129 W139 L352 G453 Y472	T126-P470 HydrophobicContact CG2-CG 4.04Å; Q129-P470 VanDerWaalsContact OE1-CG 3.31Å; W139-P470 HydrophobicContact CH2-CB 3.85Å; W139-P470 HydrophobicContact CH2-CG 4.11Å; W139-P470 HydrophobicContact CZ2-CB 3.64Å; W139-P470 HydrophobicContact CZ2-CG 3.58Å; L352-P470 HydrophobicContact CD2-CB 4.36Å; G453-P470 PolarHBondContact N-O 3.32Å; P470-Y472 VanDerWaalsContact C-N 3.28Å; P470-Y472 HydrophobicContact CB-CD1 4.08Å; P470-Y472 HydrophobicContact CB-CD2 4.02Å; P470-Y472 HydrophobicContact CB-CE1 3.81Å; P470-Y472 HydrophobicContact CB-CE2 3.74Å; P470-Y472 HydrophobicContact CB-CG 4.2Å; P470-Y472 HydrophobicContact CG-CD1 4.46Å; P470-Y472 HydrophobicContact CG-CD2 3.49Å; P470-Y472 VanDerWaalsContact CG-CD2 3.49Å; P470-Y472 HydrophobicContact CG-CE1 4.23Å; P470-Y472 HydrophobicContact CG-CE2 3.19Å; P470-Y472 HydrophobicContact CG-CG 4.15Å; P470-Y472 PolarHBondContact O-N 3.38Å
471	N	94.2	Very high	89.2	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.011	21%	0.21	C	C	.	.			trans	54.2	40.2	-178.8	-163	29.8	0	0	0	113.7	R130 S451 D469 A474 G557 L559	R130-N471 PolarHBondContact NE-OD1 2.89Å; R130-N471 PolarHBondContact NH2-ND2 2.85Å; R130-N471 PolarHBondContact NH2-OD1 3.05Å; S451-N471 VanDerWaalsContact CB-O 3.24Å; S451-N471 WeakPolarHBondContact CB-O 3.25Å; D469-N471 VanDerWaalsContact C-N 3.25Å; D469-N471 PolarHBondContact O-N 3.02Å; D469-N471 PolarHBondContact OD1-N 2.79Å; N471-A474 WeakPolarHBondContact ND2-CB 3.49Å; N471-A474 PolarHBondContact O-N 3.08Å; N471-G557 PolarHBondContact ND2-O 3.39Å; N471-L559 HydrophobicContact CB-CD1 3.66Å; N471-L559 HydrophobicContact CB-CD2 4.23Å; N471-L559 HydrophobicContact CB-CG 3.85Å; N471-L559 WeakPolarHBondContact ND2-CD2 3.49Å
472	Y	96.1	Very high	90.3	Very high	12 Å²	12	37.9 Å²	37.9	5%	0.047	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	147.4	-177.5	-64.5	-60.1	0	0	0	112.5	Q129 H131 M132 M137 W139 D354 L356 P470 A474 S529	Q129-Y472 HydrophobicContact CG-CD2 4.46Å; H131-Y472 VanDerWaalsContact CB-O 3.23Å; H131-Y472 WeakPolarHBondContact CB-O 3.27Å; M132-Y472 HydrophobicContact CG-CD2 4.45Å; M137-Y472 HydrophobicContact CE-CD2 4.26Å; M137-Y472 HydrophobicContact CE-CE2 3.9Å; M137-Y472 HydrophobicContact SD-CD2 3.68Å; M137-Y472 HydrophobicContact SD-CE2 3.62Å; W139-Y472 HydrophobicContact CZ2-CE2 4.26Å; W139-Y472 AromaticContact CZ2-CZ 3.81Å; W139-Y472 WeakPolarHBondContact CZ2-OH 3.29Å; W139-Y472 PolarHBondContact NE1-OH 3.37Å; D354-Y472 HydrophobicContact CB-CE1 4.12Å; D354-Y472 PolarHBondContact OD2-OH 2.98Å; L356-Y472 HydrophobicContact CB-CD1 4.09Å; L356-Y472 HydrophobicContact CB-CE1 4.16Å; L356-Y472 HydrophobicContact CD1-CD1 3.88Å; L356-Y472 HydrophobicContact CD1-CD2 4.1Å; L356-Y472 HydrophobicContact CD1-CE1 3.95Å; L356-Y472 HydrophobicContact CD1-CE2 4.15Å; L356-Y472 HydrophobicContact CD1-CG 3.93Å; L356-Y472 HydrophobicContact CG-CD1 4.39Å; P470-Y472 VanDerWaalsContact C-N 3.28Å; P470-Y472 HydrophobicContact CB-CD1 4.08Å; P470-Y472 HydrophobicContact CB-CD2 4.02Å; P470-Y472 HydrophobicContact CB-CE1 3.81Å; P470-Y472 HydrophobicContact CB-CE2 3.74Å; P470-Y472 HydrophobicContact CB-CG 4.2Å; P470-Y472 HydrophobicContact CG-CD1 4.46Å; P470-Y472 HydrophobicContact CG-CD2 3.49Å; P470-Y472 VanDerWaalsContact CG-CD2 3.49Å; P470-Y472 HydrophobicContact CG-CE1 4.23Å; P470-Y472 HydrophobicContact CG-CE2 3.19Å; P470-Y472 HydrophobicContact CG-CG 4.15Å; P470-Y472 PolarHBondContact O-N 3.38Å; Y472-A474 PolarHBondContact O-N 2.87Å; Y472-A474 VanDerWaalsContact O-N 3.1Å; Y472-S529 WeakPolarHBondContact OH-CB 3.38Å; Y472-S529 PolarHBondContact OH-OG 3.01Å
473	L	95	Very high	92	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.037	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	25.6	174.8	-52	-178.6	0	0	0	114.8	H131 M132 L356 C475 D478 R479 M482 V523 R524	H131-L473 HydrophobicContact CB-CB 4.21Å; M132-L473 HydrophobicContact CE-CD1 4.3Å; M132-L473 HydrophobicContact SD-CB 4.37Å; M132-L473 HydrophobicContact SD-CD1 3.22Å; M132-L473 WeakPolarHBondContact SD-CD1 3.41Å; M132-L473 HydrophobicContact SD-CG 3.62Å; L356-L473 HydrophobicContact CD2-CD1 4.4Å; L356-L473 HydrophobicContact CD2-CD2 3.67Å; L356-L473 HydrophobicContact CD2-CG 3.92Å; L473-C475 VanDerWaalsContact C-N 3.32Å; L473-D478 HydrophobicContact CD2-CB 4.28Å; L473-R479 HydrophobicContact CB-CG 4.08Å; L473-R479 HydrophobicContact CD2-CG 4.29Å; L473-R479 PolarHBondContact O-NH1 3.22Å; L473-M482 HydrophobicContact CD2-CG 4.09Å; L473-V523 HydrophobicContact CD1-CG1 3.62Å; L473-V523 HydrophobicContact CD2-CG1 4.29Å; L473-R524 HydrophobicContact CD1-CG 4.37Å
474	A	92.2	Very high	93.8	Very high	17 Å²	17	32.7 Å²	32.7	14%	0.14	17%	0.174	C	C	.	.			trans	-66.1	-37.9	173.9	0	0	0	0	0	111.7	H131 S451 N471 Y472 R479	H131-A474 WeakPolarHBondContact CD2-CA 3.46Å; H131-A474 WeakPolarHBondContact NE2-CA 3.47Å; S451-A474 PolarHBondContact OG-N 3.34Å; N471-A474 WeakPolarHBondContact ND2-CB 3.49Å; N471-A474 PolarHBondContact O-N 3.08Å; Y472-A474 PolarHBondContact O-N 2.87Å; Y472-A474 VanDerWaalsContact O-N 3.1Å; A474-R479 PolarHBondContact O-NH1 3.33Å; A474-R479 VanDerWaalsContact O-NH1 3.08Å
475	C	92	Very high	95	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.02	14%	0.142	C	C	.	.	S	Bend	trans	-90.4	142.6	-178.4	-57.5	0	0	0	0	112.2	R450 S451 L473 T477 D478	R450-C475 HydrophobicContact CB-CB 3.97Å; S451-C475 PolarHBondContact OG-N 3.27Å; L473-C475 VanDerWaalsContact C-N 3.32Å; C475-T477 VanDerWaalsContact C-N 3.27Å; C475-T477 PolarHBondContact O-N 3.02Å; C475-D478 PolarHBondContact O-N 3.12Å
476	E	92.7	Very high	95.5	Very high	93 Å²	93	23 Å²	23	44%	0.435	12%	0.122	S	C	.	.	H	α-helix	trans	-63	-33.5	176.2	-177.9	54.1	-142.4	0	0	112.6	D478 R479 A480 R483	E476-D478 PolarHBondContact O-N 3.02Å; E476-R479 VanDerWaalsContact CA-NH2 3.27Å; E476-R479 PolarHBondContact O-N 3.32Å; E476-R479 VanDerWaalsContact O-N 3.16Å; E476-R479 IonicContact OE2-CZ 2.74Å; E476-R479 IonicContact OE2-NE 2.7Å; E476-R479 PolarHBondContact OE2-NE 2.78Å; E476-R479 IonicContact OE2-NH2 2.89Å; E476-R479 PolarHBondContact OE2-NH2 3.05Å; E476-A480 PolarHBondContact O-N 2.96Å; E476-R483 IonicContact OE1-CZ 2.87Å; E476-R483 IonicContact OE1-NH1 3.98Å; E476-R483 PolarHBondContact OE1-NH1 3.36Å; E476-R483 IonicContact OE1-NH2 3.4Å; E476-R483 PolarHBondContact OE1-NH2 2.96Å
477	T	92.3	Very high	95.7	Very high	51 Å²	51	26 Å²	26	31%	0.313	13%	0.132	S	C	.	.	H	α-helix	trans	-56	-39.8	175.5	50.9	0	0	0	0	111.9	R450 C475 R479 A480 E481	R450-T477 WeakPolarHBondContact CD-OG1 3.15Å; C475-T477 VanDerWaalsContact C-N 3.27Å; C475-T477 PolarHBondContact O-N 3.02Å; T477-R479 VanDerWaalsContact C-N 3.34Å; T477-R479 PolarHBondContact O-N 2.94Å; T477-A480 PolarHBondContact O-N 3.3Å; T477-E481 WeakPolarHBondContact O-CB 3.36Å; T477-E481 WeakPolarHBondContact O-CG 3.35Å; T477-E481 PolarHBondContact O-N 3.39Å
478	D	95.1	Very high	95.8	Very high	2 Å²	2	23 Å²	23	1%	0.011	12%	0.12	C	C	.	.	H	α-helix	trans	-70	-37.2	-177.2	-56.5	0.4	0	0	0	110.4	R450 S451 L473 C475 E476 M482	R450-D478 PolarHBondContact N-OD1 3.4Å; R450-D478 PolarHBondContact N-OD2 3.31Å; S451-D478 WeakPolarHBondContact CB-OD2 3.48Å; S451-D478 PolarHBondContact N-OD2 3.29Å; S451-D478 PolarHBondContact OG-OD2 3.33Å; L473-D478 HydrophobicContact CD2-CB 4.28Å; C475-D478 PolarHBondContact O-N 3.12Å; E476-D478 PolarHBondContact O-N 3.02Å; D478-M482 VanDerWaalsContact O-CG 3.28Å; D478-M482 WeakPolarHBondContact O-CG 3.44Å; D478-M482 PolarHBondContact O-N 3.15Å
479	R	96.4	Very high	95.9	Very high	55 Å²	55	23 Å²	23	21%	0.208	12%	0.12	C	C	.	.	H	α-helix	trans	-67.2	-46.6	174.8	-63	-176.3	-70.8	-96.1	6.1	110.7	L473 A474 E476 T477 E481 M482 R483	L473-R479 HydrophobicContact CB-CG 4.08Å; L473-R479 HydrophobicContact CD2-CG 4.29Å; L473-R479 PolarHBondContact O-NH1 3.22Å; A474-R479 PolarHBondContact O-NH1 3.33Å; A474-R479 VanDerWaalsContact O-NH1 3.08Å; E476-R479 VanDerWaalsContact CA-NH2 3.27Å; E476-R479 PolarHBondContact O-N 3.32Å; E476-R479 VanDerWaalsContact O-N 3.16Å; E476-R479 IonicContact OE2-CZ 2.74Å; E476-R479 IonicContact OE2-NE 2.7Å; E476-R479 PolarHBondContact OE2-NE 2.78Å; E476-R479 IonicContact OE2-NH2 2.89Å; E476-R479 PolarHBondContact OE2-NH2 3.05Å; T477-R479 VanDerWaalsContact C-N 3.34Å; T477-R479 PolarHBondContact O-N 2.94Å; R479-E481 PolarHBondContact O-N 3.32Å; R479-M482 WeakPolarHBondContact O-CB 3.31Å; R479-M482 PolarHBondContact O-N 3.08Å; R479-R483 WeakPolarHBondContact O-CG 3.41Å; R479-R483 PolarHBondContact O-N 3.34Å
480	A	96.7	Very high	96	Very high	40 Å²	40	23.3 Å²	23.3	33%	0.331	12%	0.119	S	C	.	.	H	α-helix	trans	-59.1	-43.4	176.2	0	0	0	0	0	112.6	E476 T477 R483 A484	E476-A480 PolarHBondContact O-N 2.96Å; T477-A480 PolarHBondContact O-N 3.3Å; A480-R483 PolarHBondContact O-N 3.09Å; A480-A484 PolarHBondContact O-N 3.03Å
481	E	97.3	Very high	96.1	Very high	34 Å²	34	23.8 Å²	23.8	16%	0.159	12%	0.121	C	C	.	.	H	α-helix	trans	-65.5	-36.9	175.8	-72.3	-177.7	161.5	0	0	112.3	T409 N417 P446 T477 R479 A484 A485	T409-E481 HydrophobicContact CG2-CG 4.48Å; N417-E481 PolarHBondContact ND2-OE1 2.88Å; P446-E481 HydrophobicContact CB-CB 4.02Å; P446-E481 WeakPolarHBondContact CB-OE2 3.1Å; P446-E481 HydrophobicContact CG-CB 4.5Å; T477-E481 WeakPolarHBondContact O-CB 3.36Å; T477-E481 WeakPolarHBondContact O-CG 3.35Å; T477-E481 PolarHBondContact O-N 3.39Å; R479-E481 PolarHBondContact O-N 3.32Å; E481-A484 PolarHBondContact O-N 3.16Å; E481-A485 WeakPolarHBondContact O-CB 3.46Å; E481-A485 PolarHBondContact O-N 2.93Å
482	M	98.1	Very high	96.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65	-40.3	172.9	-74.8	-65.3	-80.4	0	0	112.4	L356 L358 P446 L473 D478 R479 A485 I486 V523	L356-M482 HydrophobicContact CD2-CE 4.14Å; L356-M482 HydrophobicContact CG-CE 4.42Å; L358-M482 HydrophobicContact CB-CE 4.04Å; L358-M482 HydrophobicContact CD2-CE 3.45Å; L358-M482 VanDerWaalsContact CD2-CE 3.45Å; L358-M482 HydrophobicContact CG-CE 3.8Å; P446-M482 WeakPolarHBondContact CD-SD 3.32Å; P446-M482 HydrophobicContact CG-CG 4.24Å; P446-M482 HydrophobicContact CG-SD 4.04Å; L473-M482 HydrophobicContact CD2-CG 4.09Å; D478-M482 VanDerWaalsContact O-CG 3.28Å; D478-M482 WeakPolarHBondContact O-CG 3.44Å; D478-M482 PolarHBondContact O-N 3.15Å; R479-M482 WeakPolarHBondContact O-CB 3.31Å; R479-M482 PolarHBondContact O-N 3.08Å; M482-A485 WeakPolarHBondContact O-CB 3.26Å; M482-A485 PolarHBondContact O-N 3.25Å; M482-I486 WeakPolarHBondContact O-CG1 3.49Å; M482-I486 PolarHBondContact O-N 2.85Å; M482-I486 VanDerWaalsContact O-N 3.16Å; M482-V523 HydrophobicContact CB-CG1 4.07Å; M482-V523 HydrophobicContact CB-CG2 3.96Å; M482-V523 HydrophobicContact CE-CB 4.48Å; M482-V523 HydrophobicContact CE-CG1 3.49Å; M482-V523 VanDerWaalsContact CE-CG1 3.49Å; M482-V523 HydrophobicContact CE-CG2 4.24Å; M482-V523 HydrophobicContact CG-CG1 4.04Å
483	R	98.1	Very high	96.3	Very high	19 Å²	19	23.4 Å²	23.4	7%	0.072	12%	0.119	C	C	.	.	H	α-helix	trans	-62.9	-44.5	173.4	-65.2	-167.2	-65.8	-81.7	6.1	111.3	E476 R479 A480 A485 I486 R487 D516 L519 D520	E476-R483 IonicContact OE1-CZ 2.87Å; E476-R483 IonicContact OE1-NH1 3.98Å; E476-R483 PolarHBondContact OE1-NH1 3.36Å; E476-R483 IonicContact OE1-NH2 3.4Å; E476-R483 PolarHBondContact OE1-NH2 2.96Å; R479-R483 WeakPolarHBondContact O-CG 3.41Å; R479-R483 PolarHBondContact O-N 3.34Å; A480-R483 PolarHBondContact O-N 3.09Å; R483-A485 VanDerWaalsContact C-N 3.35Å; R483-A485 PolarHBondContact O-N 3.47Å; R483-I486 PolarHBondContact O-N 2.95Å; R483-R487 WeakPolarHBondContact O-CG 3.4Å; R483-R487 PolarHBondContact O-N 2.77Å; R483-D516 WeakPolarHBondContact CD-OD1 3.36Å; R483-D516 IonicContact CZ-OD2 3.65Å; R483-D516 IonicContact NE-OD1 3.64Å; R483-D516 PolarHBondContact NE-OD1 3.35Å; R483-D516 IonicContact NE-OD2 2.81Å; R483-D516 PolarHBondContact NE-OD2 2.99Å; R483-D516 IonicContact NH2-OD2 3.65Å; R483-D516 PolarHBondContact NH2-OD2 3.26Å; R483-L519 HydrophobicContact CB-CD1 4.27Å; R483-L519 HydrophobicContact CG-CB 4.01Å; R483-L519 HydrophobicContact CG-CD1 4.41Å; R483-D520 VanDerWaalsContact CD-OD1 3.3Å; R483-D520 WeakPolarHBondContact CD-OD1 3.11Å; R483-D520 WeakPolarHBondContact CG-OD1 3.44Å; R483-D520 IonicContact CZ-OD1 3.48Å; R483-D520 IonicContact NE-OD1 2.75Å; R483-D520 IonicContact NH1-OD1 3.15Å; R483-D520 PolarHBondContact NH1-OD1 2.88Å; R483-D520 IonicContact NH1-OD2 3.84Å; R483-D520 PolarHBondContact NH1-OD2 3Å
484	A	97.6	Very high	96.4	Very high	21 Å²	21	24.2 Å²	24.2	17%	0.174	13%	0.127	C	C	.	.	H	α-helix	trans	-60.4	-43.8	175.6	0	0	0	0	0	111.5	T409 A480 E481 I486 R487 L488	T409-A484 HydrophobicContact CG2-CB 3.82Å; A480-A484 PolarHBondContact O-N 3.03Å; E481-A484 PolarHBondContact O-N 3.16Å; A484-I486 VanDerWaalsContact C-N 3.33Å; A484-I486 PolarHBondContact O-N 3.25Å; A484-R487 PolarHBondContact O-N 2.6Å; A484-L488 WeakPolarHBondContact O-CB 3.29Å; A484-L488 WeakPolarHBondContact O-CG 3.43Å; A484-L488 PolarHBondContact O-N 2.97Å
485	A	98.2	Very high	96.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-55.2	-44.1	175.5	0	0	0	0	0	112.9	I418 V444 E481 M482 R483 S489	I418-A485 HydrophobicContact CG2-CB 4.42Å; V444-A485 HydrophobicContact CB-CB 4.41Å; V444-A485 HydrophobicContact CG1-CB 4.04Å; V444-A485 HydrophobicContact CG2-CB 3.6Å; E481-A485 WeakPolarHBondContact O-CB 3.46Å; E481-A485 PolarHBondContact O-N 2.93Å; M482-A485 WeakPolarHBondContact O-CB 3.26Å; M482-A485 PolarHBondContact O-N 3.25Å; R483-A485 VanDerWaalsContact C-N 3.35Å; R483-A485 PolarHBondContact O-N 3.47Å; A485-S489 WeakPolarHBondContact O-CB 3.41Å; A485-S489 PolarHBondContact O-N 3.5Å; A485-S489 PolarHBondContact O-OG 3.37Å
486	I	98.3	Very high	97	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.5	-50	175.9	-63.8	167.4	0	0	0	110.8	L358 V360 M482 R483 A484 L488 S489 R490 P509 L519 F522 V523	L358-I486 HydrophobicContact CD1-CG1 3.92Å; L358-I486 HydrophobicContact CD2-CD1 3.62Å; L358-I486 HydrophobicContact CD2-CG1 3.62Å; L358-I486 HydrophobicContact CG-CG1 4.41Å; V360-I486 HydrophobicContact CG2-CG1 4.43Å; V360-I486 HydrophobicContact CG2-CG2 4.45Å; M482-I486 WeakPolarHBondContact O-CG1 3.49Å; M482-I486 PolarHBondContact O-N 2.85Å; M482-I486 VanDerWaalsContact O-N 3.16Å; R483-I486 PolarHBondContact O-N 2.95Å; A484-I486 VanDerWaalsContact C-N 3.33Å; A484-I486 PolarHBondContact O-N 3.25Å; I486-L488 PolarHBondContact O-N 3.08Å; I486-S489 WeakPolarHBondContact O-CB 3.33Å; I486-S489 PolarHBondContact O-N 3.41Å; I486-R490 PolarHBondContact O-N 3.28Å; I486-P509 HydrophobicContact CD1-CG 4.29Å; I486-P509 HydrophobicContact CG2-CG 3.84Å; I486-L519 HydrophobicContact CD1-CB 4.2Å; I486-L519 HydrophobicContact CD1-CD2 3.98Å; I486-L519 HydrophobicContact CD1-CG 4.49Å; I486-L519 HydrophobicContact CG2-CD2 3.95Å; I486-F522 HydrophobicContact CD1-CD1 4.29Å; I486-V523 HydrophobicContact CD1-CG2 3.89Å
487	R	97.6	Very high	97.3	Very high	79 Å²	79	21.3 Å²	21.3	30%	0.298	12%	0.116	S	C	.	.	H	α-helix	trans	-60.2	-46.7	-177.5	-72.3	175.7	173	129.2	8.4	111.6	R483 A484 S489 R490 E491 I514 D516 L519 H649	R483-R487 WeakPolarHBondContact O-CG 3.4Å; R483-R487 PolarHBondContact O-N 2.77Å; A484-R487 PolarHBondContact O-N 2.6Å; R487-S489 VanDerWaalsContact C-N 3.33Å; R487-S489 PolarHBondContact O-N 3.48Å; R487-R490 WeakPolarHBondContact O-CB 3.36Å; R487-R490 PolarHBondContact O-N 3.37Å; R487-E491 PolarHBondContact O-N 3.1Å; R487-I514 PolarHBondContact NH2-O 3.34Å; R487-D516 IonicContact CZ-OD1 3.33Å; R487-D516 IonicContact NH1-OD1 2.65Å; R487-D516 PolarHBondContact NH1-OD1 3.22Å; R487-D516 IonicContact NH2-OD1 3.58Å; R487-D516 PolarHBondContact NH2-OD1 3.23Å; R487-L519 HydrophobicContact CG-CD1 4.32Å; R487-H649 PolarHBondContact O-CD2 3.45Å; R487-H649 PolarHBondContact O-NE2 3.06Å
488	L	97.5	Very high	97.6	Very high	18 Å²	18	18.9 Å²	18.9	9%	0.094	10%	0.101	C	C	.	.	H	α-helix	trans	-67.6	-33.3	179.1	-63.4	174.4	0	0	0	111.9	Y228 I407 I418 A484 I486 E491 I492	Y228-L488 WeakPolarHBondContact OH-CD2 3.45Å; I407-L488 HydrophobicContact CD1-CB 4.2Å; I407-L488 HydrophobicContact CD1-CD1 3.78Å; I418-L488 HydrophobicContact CD1-CD1 3.95Å; A484-L488 WeakPolarHBondContact O-CB 3.29Å; A484-L488 WeakPolarHBondContact O-CG 3.43Å; A484-L488 PolarHBondContact O-N 2.97Å; I486-L488 PolarHBondContact O-N 3.08Å; L488-E491 PolarHBondContact O-N 3.45Å; L488-I492 WeakPolarHBondContact O-CG1 3.49Å; L488-I492 PolarHBondContact O-N 3.07Å; L488-I492 VanDerWaalsContact O-N 3.1Å
489	S	98	Very high	97.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.7	-46.1	171.6	-59.8	0	0	0	0	112	F420 A485 I486 R487 E491 I492 F493	F420-S489 WeakPolarHBondContact CE1-OG 3.29Å; A485-S489 WeakPolarHBondContact O-CB 3.41Å; A485-S489 PolarHBondContact O-N 3.5Å; A485-S489 PolarHBondContact O-OG 3.37Å; I486-S489 WeakPolarHBondContact O-CB 3.33Å; I486-S489 PolarHBondContact O-N 3.41Å; R487-S489 VanDerWaalsContact C-N 3.33Å; R487-S489 PolarHBondContact O-N 3.48Å; S489-E491 VanDerWaalsContact C-N 3.31Å; S489-E491 PolarHBondContact O-N 2.82Å; S489-I492 PolarHBondContact O-N 3.27Å; S489-F493 PolarHBondContact O-N 2.66Å
490	R	97.6	Very high	97.6	Very high	31 Å²	31	25.5 Å²	25.5	12%	0.117	14%	0.137	C	C	.	.	H	α-helix	trans	-59.7	-41.7	175.6	-74.5	177.9	170.9	160	-0.3	111.9	I486 R487 I492 F493 A494 E506 G510 K513	I486-R490 PolarHBondContact O-N 3.28Å; R487-R490 WeakPolarHBondContact O-CB 3.36Å; R487-R490 PolarHBondContact O-N 3.37Å; R490-I492 VanDerWaalsContact C-N 3.34Å; R490-I492 PolarHBondContact O-N 2.84Å; R490-F493 PolarHBondContact O-N 2.93Å; R490-A494 WeakPolarHBondContact O-CB 3.48Å; R490-A494 PolarHBondContact O-N 3.33Å; R490-E506 WeakPolarHBondContact CG-OE2 3.38Å; R490-E506 IonicContact CZ-OE1 3.42Å; R490-E506 IonicContact CZ-OE2 3.36Å; R490-E506 IonicContact NE-OE1 2.64Å; R490-E506 PolarHBondContact NE-OE1 3.11Å; R490-E506 IonicContact NE-OE2 2.97Å; R490-E506 PolarHBondContact NE-OE2 3.01Å; R490-E506 IonicContact NH2-OE1 3.23Å; R490-E506 PolarHBondContact NH2-OE1 2.81Å; R490-E506 IonicContact NH2-OE2 3.81Å; R490-G510 PolarHBondContact NH2-O 2.87Å; R490-K513 VanDerWaalsContact CZ-O 3.32Å; R490-K513 PolarHBondContact NH1-O 3.07Å; R490-K513 PolarHBondContact NH2-O 2.64Å
491	E	97.1	Very high	97.6	Very high	16 Å²	16	28 Å²	28	8%	0.075	14%	0.142	C	C	.	.	H	α-helix	trans	-61.7	-41.9	178	-164	175.3	63.5	0	0	112.4	R487 L488 S489 A494 Q495 R641 H649	R487-E491 PolarHBondContact O-N 3.1Å; L488-E491 PolarHBondContact O-N 3.45Å; S489-E491 VanDerWaalsContact C-N 3.31Å; S489-E491 PolarHBondContact O-N 2.82Å; E491-A494 PolarHBondContact O-N 3.41Å; E491-Q495 WeakPolarHBondContact O-CG 3.23Å; E491-Q495 PolarHBondContact O-N 2.83Å; E491-Q495 PolarHBondContact O-NE2 3.46Å; E491-R641 IonicContact OE1-CZ 3.39Å; E491-R641 IonicContact OE1-NH1 3.21Å; E491-R641 PolarHBondContact OE1-NH1 3.34Å; E491-R641 IonicContact OE1-NH2 2.89Å; E491-R641 PolarHBondContact OE1-NH2 3.15Å; E491-H649 IonicContact OE2-CD2 3.95Å
492	I	98	Very high	97.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.3	-45.5	176.3	-66.6	168.5	0	0	0	110.2	W219 A222 A226 Y228 F420 L488 S489 R490 A494 Q495	W219-I492 HydrophobicContact CE3-CG2 3.88Å; W219-I492 HydrophobicContact CH2-CB 4.44Å; W219-I492 HydrophobicContact CH2-CD1 3.99Å; W219-I492 HydrophobicContact CH2-CG2 3.93Å; W219-I492 HydrophobicContact CZ2-CD1 4.41Å; W219-I492 HydrophobicContact CZ3-CB 4.26Å; W219-I492 HydrophobicContact CZ3-CG2 3.54Å; A222-I492 HydrophobicContact CB-CG2 3.94Å; A226-I492 HydrophobicContact CB-CG1 4Å; Y228-I492 HydrophobicContact CD2-CD1 4.31Å; Y228-I492 HydrophobicContact CD2-CG1 4.46Å; Y228-I492 HydrophobicContact CE2-CD1 4Å; Y228-I492 HydrophobicContact CE2-CG1 4.09Å; F420-I492 HydrophobicContact CE2-CD1 4.06Å; F420-I492 HydrophobicContact CZ-CD1 3.94Å; L488-I492 WeakPolarHBondContact O-CG1 3.49Å; L488-I492 PolarHBondContact O-N 3.07Å; L488-I492 VanDerWaalsContact O-N 3.1Å; S489-I492 PolarHBondContact O-N 3.27Å; R490-I492 VanDerWaalsContact C-N 3.34Å; R490-I492 PolarHBondContact O-N 2.84Å; I492-A494 PolarHBondContact O-N 3.13Å; I492-Q495 WeakPolarHBondContact O-CB 3.32Å; I492-Q495 PolarHBondContact O-N 3.49Å; I492-Q495 VanDerWaalsContact O-N 3.07Å
493	F	97.7	Very high	97.6	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.026	14%	0.14	C	C	.	.	H	α-helix	trans	-63.1	-28.3	177.9	-74	-10.4	0	0	0	113.6	W219 V360 Q362 F422 F440 V442 S489 R490 Q495 L498	W219-F493 HydrophobicContact CE3-CD1 4.25Å; W219-F493 AromaticContact CE3-CE1 3.76Å; W219-F493 HydrophobicContact CE3-CE1 3.76Å; W219-F493 AromaticContact CZ3-CD1 3.92Å; W219-F493 HydrophobicContact CZ3-CD1 3.92Å; W219-F493 AromaticContact CZ3-CE1 3.46Å; W219-F493 HydrophobicContact CZ3-CE1 3.46Å; W219-F493 VanDerWaalsContact CZ3-CE1 3.46Å; W219-F493 HydrophobicContact CZ3-CZ 4.36Å; V360-F493 HydrophobicContact CB-CE2 4.38Å; V360-F493 HydrophobicContact CG1-CD2 4.26Å; V360-F493 HydrophobicContact CG1-CE2 3.97Å; Q362-F493 HydrophobicContact CB-CD2 4.33Å; Q362-F493 HydrophobicContact CB-CE2 4.32Å; F422-F493 HydrophobicContact CD2-CE1 4.45Å; F422-F493 HydrophobicContact CE2-CE1 4.22Å; F440-F493 HydrophobicContact CD2-CE1 4.08Å; F440-F493 AromaticContact CD2-CZ 3.98Å; F440-F493 HydrophobicContact CD2-CZ 3.98Å; F440-F493 HydrophobicContact CE2-CD1 4.06Å; F440-F493 AromaticContact CE2-CE1 3.75Å; F440-F493 HydrophobicContact CE2-CE1 3.75Å; F440-F493 HydrophobicContact CE2-CE2 4.29Å; F440-F493 HydrophobicContact CE2-CG 4.43Å; F440-F493 AromaticContact CE2-CZ 3.89Å; F440-F493 HydrophobicContact CE2-CZ 3.89Å; V442-F493 HydrophobicContact CB-CZ 4.12Å; V442-F493 HydrophobicContact CG1-CE2 4.37Å; V442-F493 HydrophobicContact CG1-CZ 3.9Å; S489-F493 PolarHBondContact O-N 2.66Å; R490-F493 PolarHBondContact O-N 2.93Å; F493-Q495 VanDerWaalsContact C-N 3.28Å; F493-Q495 PolarHBondContact O-N 3.3Å; F493-L498 HydrophobicContact CD1-CD1 3.65Å; F493-L498 HydrophobicContact CE1-CD1 4.18Å
494	A	97.1	Very high	97.5	Very high	23 Å²	23	27.6 Å²	27.6	19%	0.19	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-11.6	175.6	0	0	0	0	0	114.1	R490 E491 I492 A499 I652	R490-A494 WeakPolarHBondContact O-CB 3.48Å; R490-A494 PolarHBondContact O-N 3.33Å; E491-A494 PolarHBondContact O-N 3.41Å; I492-A494 PolarHBondContact O-N 3.13Å; A494-A499 WeakPolarHBondContact O-CB 3.43Å; A494-I652 HydrophobicContact CB-CD1 3.34Å
495	Q	98.5	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-69.6	147	179.7	-60.3	-51.7	-46.3	0	0	112.1	A222 Q225 A226 E491 I492 F493 A497 L498 A499 V647	A222-Q495 HydrophobicContact CB-CB 4Å; A222-Q495 VanDerWaalsContact O-CG 3.31Å; A222-Q495 WeakPolarHBondContact O-CG 3.39Å; Q225-Q495 HydrophobicContact CB-CB 3.83Å; Q225-Q495 HydrophobicContact CB-CG 4.01Å; Q225-Q495 PolarHBondContact O-OE1 2.75Å; A226-Q495 HydrophobicContact CB-CG 3.85Å; E491-Q495 WeakPolarHBondContact O-CG 3.23Å; E491-Q495 PolarHBondContact O-N 2.83Å; E491-Q495 PolarHBondContact O-NE2 3.46Å; I492-Q495 WeakPolarHBondContact O-CB 3.32Å; I492-Q495 PolarHBondContact O-N 3.49Å; I492-Q495 VanDerWaalsContact O-N 3.07Å; F493-Q495 VanDerWaalsContact C-N 3.28Å; F493-Q495 PolarHBondContact O-N 3.3Å; Q495-A497 VanDerWaalsContact C-N 3.27Å; Q495-A497 PolarHBondContact O-N 3.23Å; Q495-L498 PolarHBondContact O-N 2.98Å; Q495-A499 WeakPolarHBondContact O-CB 3.37Å; Q495-A499 PolarHBondContact O-N 2.81Å; Q495-V647 PolarHBondContact NE2-O 3.12Å
496	P	98.2	Very high	97.5	Very high	30 Å²	30	33.5 Å²	33.5	20%	0.195	17%	0.171	C	C	.	.	H	α-helix	trans	-49	-38.6	-172.9	-32.5	36.3	0	0	0	116.3	Q225 L498 K500 V647	Q225-P496 VanDerWaalsContact OE1-CD 3.3Å; P496-L498 VanDerWaalsContact C-N 3.26Å; P496-L498 PolarHBondContact O-N 2.9Å; P496-K500 HydrophobicContact CB-CD 4.11Å; P496-K500 HydrophobicContact CB-CG 4.42Å; P496-K500 WeakPolarHBondContact O-CB 3.37Å; P496-K500 PolarHBondContact O-N 2.92Å; P496-V647 HydrophobicContact CG-CG2 4.5Å
497	A	98.1	Very high	97.4	Very high	22 Å²	22	36.1 Å²	36.1	18%	0.182	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-31.4	-178.4	0	0	0	0	0	113.6	E221 A222 Q495 F502	E221-A497 HydrophobicContact CB-CB 3.89Å; E221-A497 HydrophobicContact CG-CB 3.81Å; A222-A497 HydrophobicContact CB-CB 4.2Å; Q495-A497 VanDerWaalsContact C-N 3.27Å; Q495-A497 PolarHBondContact O-N 3.23Å; A497-F502 WeakPolarHBondContact O-CD2 3.41Å
498	L	97.8	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-99.3	-47.7	172.9	-78.3	171.9	0	0	0	111.5	L215 A218 W219 A222 F440 F493 Q495 P496 K500 F502 A503	L215-L498 HydrophobicContact CD2-CD2 4.46Å; A218-L498 HydrophobicContact CB-CD2 3.73Å; A218-L498 HydrophobicContact CB-CG 4.27Å; W219-L498 HydrophobicContact CE3-CD1 4.16Å; A222-L498 HydrophobicContact CB-CB 4.32Å; A222-L498 HydrophobicContact CB-CD1 3.68Å; A222-L498 HydrophobicContact CB-CG 3.84Å; F440-L498 HydrophobicContact CE2-CD2 4.47Å; F440-L498 HydrophobicContact CZ-CD2 4.23Å; F493-L498 HydrophobicContact CD1-CD1 3.65Å; F493-L498 HydrophobicContact CE1-CD1 4.18Å; Q495-L498 PolarHBondContact O-N 2.98Å; P496-L498 VanDerWaalsContact C-N 3.26Å; P496-L498 PolarHBondContact O-N 2.9Å; L498-K500 PolarHBondContact O-N 2.92Å; L498-F502 HydrophobicContact CD2-CB 4.4Å; L498-F502 HydrophobicContact CD2-CD2 4.42Å; L498-F502 WeakPolarHBondContact O-CA 3.24Å; L498-F502 PolarHBondContact O-N 3.4Å; L498-A503 PolarHBondContact O-N 3.33Å
499	A	97.3	Very high	97.4	Very high	30 Å²	30	32.8 Å²	32.8	25%	0.248	18%	0.176	C	C	.	.	H	α-helix	trans	-59.4	-44.4	-170.9	0	0	0	0	0	113.9	K365 A494 Q495	K365-A499 PolarHBondContact NZ-O 2.88Å; A494-A499 WeakPolarHBondContact O-CB 3.43Å; Q495-A499 WeakPolarHBondContact O-CB 3.37Å; Q495-A499 PolarHBondContact O-N 2.81Å
500	K	96	Very high	97.3	Very high	166 Å²	166	33.1 Å²	33.1	72%	0.722	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-49.4	-174	-69.7	-177.9	175.4	178.4	0	111.6	K365 P496 L498	K365-K500 PolarHBondContact NZ-O 2.71Å; P496-K500 HydrophobicContact CB-CD 4.11Å; P496-K500 HydrophobicContact CB-CG 4.42Å; P496-K500 WeakPolarHBondContact O-CB 3.37Å; P496-K500 PolarHBondContact O-N 2.92Å; L498-K500 PolarHBondContact O-N 2.92Å
501	E	96	Very high	97.1	Very high	92 Å²	92	37.3 Å²	37.3	43%	0.43	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-33.7	-166.6	-172.1	176.4	158.4	0	0	114.3	K366	K366-E501 HydrophobicContact CD-CG 4.16Å; K366-E501 VanDerWaalsContact CE-CG 3.44Å; K366-E501 WeakPolarHBondContact CE-OE1 3.46Å; K366-E501 VanDerWaalsContact NZ-CD 3.31Å; K366-E501 IonicContact NZ-OE1 3.27Å; K366-E501 PolarHBondContact NZ-OE1 2.8Å
502	F	98.4	Very high	97	Very high	12 Å²	12	41.2 Å²	41.2	5%	0.053	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-47.7	-165	-57.4	-69	0	0	0	113.9	P214 L215 A218 C364 K365 K366 I368 F440 A497 L498 G504	P214-F502 HydrophobicContact CB-CZ 4.29Å; L215-F502 HydrophobicContact CD2-CB 3.71Å; L215-F502 HydrophobicContact CD2-CD1 3.64Å; L215-F502 HydrophobicContact CD2-CD2 4.17Å; L215-F502 HydrophobicContact CD2-CE1 4.3Å; L215-F502 HydrophobicContact CD2-CG 3.56Å; A218-F502 HydrophobicContact CB-CD2 3.82Å; A218-F502 HydrophobicContact CB-CE2 3.69Å; C364-F502 CarbonylContact C-O 3.56Å; C364-F502 WeakPolarHBondContact CA-O 3.42Å; K365-F502 PolarHBondContact N-O 3.41Å; K366-F502 HydrophobicContact CD-CD1 4.23Å; K366-F502 HydrophobicContact CD-CE1 4.02Å; I368-F502 HydrophobicContact CD1-CD1 3.8Å; I368-F502 HydrophobicContact CD1-CE1 3.58Å; F440-F502 HydrophobicContact CE1-CB 4.1Å; A497-F502 WeakPolarHBondContact O-CD2 3.41Å; L498-F502 HydrophobicContact CD2-CB 4.4Å; L498-F502 HydrophobicContact CD2-CD2 4.42Å; L498-F502 WeakPolarHBondContact O-CA 3.24Å; L498-F502 PolarHBondContact O-N 3.4Å; F502-G504 PolarHBondContact O-N 2.83Å
503	A	97.3	Very high	96.9	Very high	9 Å²	9	44.6 Å²	44.6	7%	0.074	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	119.4	-174	0	0	0	0	0	111.5	Q362 K365 F440 L498	Q362-A503 HydrophobicContact CG-CB 3.89Å; K365-A503 WeakPolarHBondContact CD-O 3.49Å; K365-A503 WeakPolarHBondContact CE-O 3.32Å; K365-A503 PolarHBondContact NZ-O 2.87Å; F440-A503 HydrophobicContact CZ-CB 3.95Å; L498-A503 PolarHBondContact O-N 3.33Å
504	G	96.2	Very high	96.8	Very high	25 Å²	25	49.9 Å²	49.9	26%	0.258	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-145	168.8	0	0	0	0	0	111.3	Q362 A363 F502	Q362-G504 PolarHBondContact NE2-O 3.02Å; A363-G504 WeakPolarHBondContact O-CA 3.15Å; A363-G504 PolarHBondContact O-N 3.21Å; F502-G504 PolarHBondContact O-N 2.83Å
505	K	96.5	Very high	96.8	Very high	126 Å²	126	50.9 Å²	50.9	55%	0.548	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	144.9	176.2	-173.9	177.1	177.6	167.4	0	111.8	A363 E511	A363-K505 WeakPolarHBondContact CB-O 3.44Å; A363-K505 PolarHBondContact N-O 3.16Å; K505-E511 VanDerWaalsContact CE-OE1 3.23Å; K505-E511 WeakPolarHBondContact CE-OE1 3.36Å; K505-E511 IonicContact NZ-OE1 3.3Å; K505-E511 PolarHBondContact NZ-OE1 2.98Å
506	E	97.7	Very high	96.8	Very high	19 Å²	19	54.2 Å²	54.2	9%	0.089	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128	169.4	-171	-178.1	123.2	0	0	109.8	Q362 R490 P509 G510	Q362-E506 VanDerWaalsContact NE2-N 3.16Å; R490-E506 WeakPolarHBondContact CG-OE2 3.38Å; R490-E506 IonicContact CZ-OE1 3.42Å; R490-E506 IonicContact CZ-OE2 3.36Å; R490-E506 IonicContact NE-OE1 2.64Å; R490-E506 PolarHBondContact NE-OE1 3.11Å; R490-E506 IonicContact NE-OE2 2.97Å; R490-E506 PolarHBondContact NE-OE2 3.01Å; R490-E506 IonicContact NH2-OE1 3.23Å; R490-E506 PolarHBondContact NH2-OE1 2.81Å; R490-E506 IonicContact NH2-OE2 3.81Å; E506-P509 VanDerWaalsContact OE1-CD 3.25Å; E506-P509 WeakPolarHBondContact OE1-CD 3.4Å; E506-G510 WeakPolarHBondContact OE1-CA 3.48Å; E506-G510 PolarHBondContact OE1-N 2.8Å
507	L	97.3	Very high	96.8	Very high	55 Å²	55	56.7 Å²	56.7	29%	0.288	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-35.3	-177.7	-59.2	178	0	0	0	112.2	Q361 A363 Q437 A439	Q361-L507 HydrophobicContact CB-CB 3.97Å; Q361-L507 PolarHBondContact O-N 3.25Å; A363-L507 HydrophobicContact CB-CD1 4.28Å; A363-L507 HydrophobicContact CB-CD2 4.24Å; A363-L507 HydrophobicContact CB-CG 4.29Å; Q437-L507 HydrophobicContact CG-CD1 4.3Å; A439-L507 HydrophobicContact CB-CD1 3.75Å
508	A	97.2	Very high	96.8	Very high	14 Å²	14	58.8 Å²	58.8	12%	0.116	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	132.1	178.9	0	0	0	0	0	109.6	V360 Q361 G510 F522	V360-A508 CarbonylContact C-O 3.54Å; V360-A508 WeakPolarHBondContact CA-O 3.19Å; Q361-A508 HydrophobicContact CB-CB 4.06Å; Q361-A508 HydrophobicContact CG-CB 4.11Å; Q361-A508 PolarHBondContact N-O 3.06Å; Q361-A508 PolarHBondContact O-N 3.5Å; A508-G510 VanDerWaalsContact C-N 3.28Å; A508-F522 HydrophobicContact CB-CE2 4.15Å; A508-F522 HydrophobicContact CB-CZ 3.94Å
509	P	97.1	Very high	96.8	Very high	12 Å²	12	58.8 Å²	58.8	8%	0.078	31%	0.311	C	S	.	.	S	Bend	cis	-62.3	-20	-1.1	-16.8	24.3	0	0	0	116.8	I486 E506 K513 L519 F522	I486-P509 HydrophobicContact CD1-CG 4.29Å; I486-P509 HydrophobicContact CG2-CG 3.84Å; E506-P509 VanDerWaalsContact OE1-CD 3.25Å; E506-P509 WeakPolarHBondContact OE1-CD 3.4Å; P509-K513 HydrophobicContact CB-CB 3.9Å; P509-K513 HydrophobicContact CB-CG 4.04Å; P509-K513 WeakPolarHBondContact O-CG 3.2Å; P509-L519 HydrophobicContact CG-CD2 4.36Å; P509-F522 VanDerWaalsContact CA-CE2 3.49Å; P509-F522 HydrophobicContact CB-CB 4.25Å; P509-F522 HydrophobicContact CB-CD1 3.85Å; P509-F522 HydrophobicContact CB-CD2 3.71Å; P509-F522 HydrophobicContact CB-CE1 4.1Å; P509-F522 HydrophobicContact CB-CE2 4Å; P509-F522 HydrophobicContact CB-CG 3.64Å; P509-F522 HydrophobicContact CB-CZ 4.18Å; P509-F522 HydrophobicContact CG-CD1 3.68Å; P509-F522 HydrophobicContact CG-CD2 4.41Å; P509-F522 HydrophobicContact CG-CE1 3.77Å; P509-F522 HydrophobicContact CG-CG 4.02Å; P509-F522 HydrophobicContact CG-CZ 4.2Å
510	G	95.9	Very high	96.9	Very high	8 Å²	8	58.5 Å²	58.5	8%	0.082	31%	0.306	C	S	.	.			trans	106.4	140.5	-168.7	0	0	0	0	0	110.4	R490 E506 A508 D512 K513	R490-G510 PolarHBondContact NH2-O 2.87Å; E506-G510 WeakPolarHBondContact OE1-CA 3.48Å; E506-G510 PolarHBondContact OE1-N 2.8Å; A508-G510 VanDerWaalsContact C-N 3.28Å; G510-D512 PolarHBondContact O-N 3.47Å; G510-D512 VanDerWaalsContact O-N 3.13Å; G510-K513 PolarHBondContact O-N 3.4Å
511	E	93.2	Very high	97	Very high	119 Å²	119	54 Å²	54	56%	0.556	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.2	-176.4	68.1	-160.5	161.6	0	0	113.6	K505 K513	K505-E511 VanDerWaalsContact CE-OE1 3.23Å; K505-E511 WeakPolarHBondContact CE-OE1 3.36Å; K505-E511 IonicContact NZ-OE1 3.3Å; K505-E511 PolarHBondContact NZ-OE1 2.98Å; E511-K513 VanDerWaalsContact C-N 3.32Å; E511-K513 PolarHBondContact O-N 3.17Å
512	D	94.8	Very high	97.1	Very high	97 Å²	97	50.5 Å²	50.5	52%	0.519	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-10.6	178.5	64	-64.3	0	0	0	114.2	G510 Q518	G510-D512 PolarHBondContact O-N 3.47Å; G510-D512 VanDerWaalsContact O-N 3.13Å; D512-Q518 PolarHBondContact O-NE2 3.06Å; D512-Q518 VanDerWaalsContact O-NE2 3.09Å; D512-Q518 PolarHBondContact O-OE1 2.84Å
513	K	96.4	Very high	97.1	Very high	71 Å²	71	50 Å²	50	31%	0.309	27%	0.268	S	S	.	.			trans	-95.2	94	-179.8	-54.7	-63.3	178.2	170.5	0	110.3	R490 P509 G510 E511 Q518 L519	R490-K513 VanDerWaalsContact CZ-O 3.32Å; R490-K513 PolarHBondContact NH1-O 3.07Å; R490-K513 PolarHBondContact NH2-O 2.64Å; P509-K513 HydrophobicContact CB-CB 3.9Å; P509-K513 HydrophobicContact CB-CG 4.04Å; P509-K513 WeakPolarHBondContact O-CG 3.2Å; G510-K513 PolarHBondContact O-N 3.4Å; E511-K513 VanDerWaalsContact C-N 3.32Å; E511-K513 PolarHBondContact O-N 3.17Å; K513-Q518 HydrophobicContact CB-CB 4.23Å; K513-Q518 HydrophobicContact CD-CB 4.06Å; K513-Q518 HydrophobicContact CD-CG 4.35Å; K513-L519 HydrophobicContact CB-CD2 4.34Å; K513-L519 WeakPolarHBondContact O-CD2 3.37Å
514	I	95.5	Very high	97.1	Very high	117 Å²	117	52.6 Å²	52.6	60%	0.6	28%	0.276	S	S	*	.			trans	-116.9	-43.9	-171.8	-57.2	175.1	0	0	0	112.1	R487	R487-I514 PolarHBondContact NH2-O 3.34Å
515	S	97.9	Very high	97.1	Very high	45 Å²	45	53.1 Å²	53.1	32%	0.315	28%	0.276	S	S	.	.	S	Bend	trans	-69.1	157.2	-175	75.2	0	0	0	0	112.1	S517 Q518 L519	S515-S517 VanDerWaalsContact C-N 3.25Å; S515-S517 PolarHBondContact O-N 2.93Å; S515-S517 PolarHBondContact OG-OG 2.56Å; S515-Q518 PolarHBondContact O-N 3.37Å; S515-Q518 VanDerWaalsContact O-N 3.13Å; S515-Q518 WeakPolarHBondContact OG-CB 3.47Å; S515-Q518 VanDerWaalsContact OG-CG 3.25Å; S515-Q518 WeakPolarHBondContact OG-CG 3.35Å; S515-Q518 PolarHBondContact OG-N 2.87Å; S515-Q518 PolarHBondContact OG-OE1 3.24Å; S515-L519 WeakPolarHBondContact O-CG 3.47Å; S515-L519 PolarHBondContact O-N 2.81Å
516	D	98.2	Very high	97.1	Very high	69 Å²	69	53.1 Å²	53.1	37%	0.369	28%	0.276	S	S	.	.	H	α-helix	trans	-53.9	-44.1	175.1	-84.7	17.2	0	0	0	111.9	R483 R487 Q518 L519 D520	R483-D516 WeakPolarHBondContact CD-OD1 3.36Å; R483-D516 IonicContact CZ-OD2 3.65Å; R483-D516 IonicContact NE-OD1 3.64Å; R483-D516 PolarHBondContact NE-OD1 3.35Å; R483-D516 IonicContact NE-OD2 2.81Å; R483-D516 PolarHBondContact NE-OD2 2.99Å; R483-D516 IonicContact NH2-OD2 3.65Å; R483-D516 PolarHBondContact NH2-OD2 3.26Å; R487-D516 IonicContact CZ-OD1 3.33Å; R487-D516 IonicContact NH1-OD1 2.65Å; R487-D516 PolarHBondContact NH1-OD1 3.22Å; R487-D516 IonicContact NH2-OD1 3.58Å; R487-D516 PolarHBondContact NH2-OD1 3.23Å; D516-Q518 PolarHBondContact O-N 3.13Å; D516-L519 PolarHBondContact O-N 3.12Å; D516-D520 WeakPolarHBondContact O-CB 3.21Å; D516-D520 VanDerWaalsContact O-CG 3.23Å; D516-D520 PolarHBondContact O-N 3.36Å
517	S	98.1	Very high	97.1	Very high	83 Å²	83	52.2 Å²	52.2	58%	0.58	27%	0.272	S	S	*	.	H	α-helix	trans	-63.5	-37.7	178.6	57.1	0	0	0	0	113.6	S515 E521	S515-S517 VanDerWaalsContact C-N 3.25Å; S515-S517 PolarHBondContact O-N 2.93Å; S515-S517 PolarHBondContact OG-OG 2.56Å; S517-E521 WeakPolarHBondContact O-CB 3.03Å; S517-E521 PolarHBondContact O-N 2.76Å
518	Q	98.5	Very high	97	Very high	65 Å²	65	50.7 Å²	50.7	30%	0.304	26%	0.264	S	S	.	.	H	α-helix	trans	-69.9	-40.5	177	-73.7	172.9	-40.8	0	0	111.5	D512 K513 S515 D516 F522	D512-Q518 PolarHBondContact O-NE2 3.06Å; D512-Q518 VanDerWaalsContact O-NE2 3.09Å; D512-Q518 PolarHBondContact O-OE1 2.84Å; K513-Q518 HydrophobicContact CB-CB 4.23Å; K513-Q518 HydrophobicContact CD-CB 4.06Å; K513-Q518 HydrophobicContact CD-CG 4.35Å; S515-Q518 PolarHBondContact O-N 3.37Å; S515-Q518 VanDerWaalsContact O-N 3.13Å; S515-Q518 WeakPolarHBondContact OG-CB 3.47Å; S515-Q518 VanDerWaalsContact OG-CG 3.25Å; S515-Q518 WeakPolarHBondContact OG-CG 3.35Å; S515-Q518 PolarHBondContact OG-N 2.87Å; S515-Q518 PolarHBondContact OG-OE1 3.24Å; D516-Q518 PolarHBondContact O-N 3.13Å; Q518-F522 PolarHBondContact O-N 3.49Å
519	L	98.4	Very high	96.9	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.4	-44.8	176.4	-65.4	-173.3	0	0	0	111.1	R483 I486 R487 P509 K513 S515 D516 E521 F522 V523	R483-L519 HydrophobicContact CB-CD1 4.27Å; R483-L519 HydrophobicContact CG-CB 4.01Å; R483-L519 HydrophobicContact CG-CD1 4.41Å; I486-L519 HydrophobicContact CD1-CB 4.2Å; I486-L519 HydrophobicContact CD1-CD2 3.98Å; I486-L519 HydrophobicContact CD1-CG 4.49Å; I486-L519 HydrophobicContact CG2-CD2 3.95Å; R487-L519 HydrophobicContact CG-CD1 4.32Å; P509-L519 HydrophobicContact CG-CD2 4.36Å; K513-L519 HydrophobicContact CB-CD2 4.34Å; K513-L519 WeakPolarHBondContact O-CD2 3.37Å; S515-L519 WeakPolarHBondContact O-CG 3.47Å; S515-L519 PolarHBondContact O-N 2.81Å; D516-L519 PolarHBondContact O-N 3.12Å; L519-E521 VanDerWaalsContact C-N 3.3Å; L519-E521 PolarHBondContact O-N 3.1Å; L519-F522 WeakPolarHBondContact O-CB 3.2Å; L519-F522 PolarHBondContact O-N 2.83Å; L519-V523 WeakPolarHBondContact O-CG2 3.41Å; L519-V523 PolarHBondContact O-N 3.17Å
520	D	98.4	Very high	96.8	Very high	24 Å²	24	50.1 Å²	50.1	13%	0.128	26%	0.26	C	S	.	.	H	α-helix	trans	-60.2	-41.7	176.4	-72	-17.4	0	0	0	111.4	R483 D516 V523 R524	R483-D520 VanDerWaalsContact CD-OD1 3.3Å; R483-D520 WeakPolarHBondContact CD-OD1 3.11Å; R483-D520 WeakPolarHBondContact CG-OD1 3.44Å; R483-D520 IonicContact CZ-OD1 3.48Å; R483-D520 IonicContact NE-OD1 2.75Å; R483-D520 IonicContact NH1-OD1 3.15Å; R483-D520 PolarHBondContact NH1-OD1 2.88Å; R483-D520 IonicContact NH1-OD2 3.84Å; R483-D520 PolarHBondContact NH1-OD2 3Å; D516-D520 WeakPolarHBondContact O-CB 3.21Å; D516-D520 VanDerWaalsContact O-CG 3.23Å; D516-D520 PolarHBondContact O-N 3.36Å; D520-V523 PolarHBondContact O-N 3.19Å; D520-R524 WeakPolarHBondContact O-CG 3.44Å; D520-R524 PolarHBondContact O-N 2.92Å
521	E	98.2	Very high	96.9	Very high	71 Å²	71	52.1 Å²	52.1	33%	0.332	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-43.4	175	-179.4	50.7	-136	0	0	112.2	N133 S517 L519 V523 R524 S525	N133-E521 PolarHBondContact ND2-OE1 3.45Å; S517-E521 WeakPolarHBondContact O-CB 3.03Å; S517-E521 PolarHBondContact O-N 2.76Å; L519-E521 VanDerWaalsContact C-N 3.3Å; L519-E521 PolarHBondContact O-N 3.1Å; E521-V523 VanDerWaalsContact C-N 3.33Å; E521-V523 PolarHBondContact O-N 3.39Å; E521-R524 PolarHBondContact O-N 3.48Å; E521-R524 IonicContact OE2-CZ 3.57Å; E521-R524 IonicContact OE2-NE 3.73Å; E521-R524 PolarHBondContact OE2-NE 3.2Å; E521-R524 IonicContact OE2-NH2 2.65Å; E521-R524 PolarHBondContact OE2-NH2 3.31Å; E521-S525 WeakPolarHBondContact O-CB 3.2Å; E521-S525 PolarHBondContact O-N 3.08Å; E521-S525 PolarHBondContact O-OG 3.02Å; E521-S525 PolarHBondContact OE1-OG 2.99Å
522	F	98.2	Very high	97.1	Very high	19 Å²	19	47.5 Å²	47.5	8%	0.083	24%	0.244	C	C	.	.	H	α-helix	trans	-60.1	-45	174.5	178.6	-97.1	0	0	0	111.4	L358 I486 A508 P509 Q518 L519 R524 S525 F526	L358-F522 HydrophobicContact CD1-CE1 4.42Å; L358-F522 HydrophobicContact CD2-CD1 4.36Å; L358-F522 HydrophobicContact CD2-CE1 4.27Å; I486-F522 HydrophobicContact CD1-CD1 4.29Å; A508-F522 HydrophobicContact CB-CE2 4.15Å; A508-F522 HydrophobicContact CB-CZ 3.94Å; P509-F522 VanDerWaalsContact CA-CE2 3.49Å; P509-F522 HydrophobicContact CB-CB 4.25Å; P509-F522 HydrophobicContact CB-CD1 3.85Å; P509-F522 HydrophobicContact CB-CD2 3.71Å; P509-F522 HydrophobicContact CB-CE1 4.1Å; P509-F522 HydrophobicContact CB-CE2 4Å; P509-F522 HydrophobicContact CB-CG 3.64Å; P509-F522 HydrophobicContact CB-CZ 4.18Å; P509-F522 HydrophobicContact CG-CD1 3.68Å; P509-F522 HydrophobicContact CG-CD2 4.41Å; P509-F522 HydrophobicContact CG-CE1 3.77Å; P509-F522 HydrophobicContact CG-CG 4.02Å; P509-F522 HydrophobicContact CG-CZ 4.2Å; Q518-F522 PolarHBondContact O-N 3.49Å; L519-F522 WeakPolarHBondContact O-CB 3.2Å; L519-F522 PolarHBondContact O-N 2.83Å; F522-R524 PolarHBondContact O-N 3.05Å; F522-S525 PolarHBondContact O-N 2.91Å; F522-F526 AromaticContact CD2-CD2 3.36Å; F522-F526 HydrophobicContact CD2-CD2 3.36Å; F522-F526 AromaticContact CD2-CE2 3.89Å; F522-F526 HydrophobicContact CD2-CE2 3.89Å; F522-F526 HydrophobicContact CD2-CG 4.24Å; F522-F526 HydrophobicContact CE1-CB 4.36Å; F522-F526 HydrophobicContact CE2-CB 4.07Å; F522-F526 AromaticContact CE2-CD2 3.34Å; F522-F526 HydrophobicContact CE2-CD2 3.34Å; F522-F526 AromaticContact CE2-CE2 3.94Å; F522-F526 HydrophobicContact CE2-CE2 3.94Å; F522-F526 AromaticContact CE2-CG 3.83Å; F522-F526 HydrophobicContact CE2-CG 3.83Å; F522-F526 HydrophobicContact CG-CD2 4.14Å; F522-F526 HydrophobicContact CZ-CB 3.99Å; F522-F526 HydrophobicContact CZ-CD2 4.14Å; F522-F526 HydrophobicContact CZ-CG 4.24Å; F522-F526 WeakPolarHBondContact O-CB 3.38Å; F522-F526 WeakPolarHBondContact O-CD2 3.41Å; F522-F526 PolarHBondContact O-N 3.48Å
523	V	98	Very high	97.2	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-45.2	177.9	177.6	0	0	0	0	110.9	M132 L358 L473 M482 I486 L519 D520 E521 S525 F526 G527	M132-V523 WeakPolarHBondContact CE-O 3.48Å; L358-V523 HydrophobicContact CD2-CG2 3.68Å; L473-V523 HydrophobicContact CD1-CG1 3.62Å; L473-V523 HydrophobicContact CD2-CG1 4.29Å; M482-V523 HydrophobicContact CB-CG1 4.07Å; M482-V523 HydrophobicContact CB-CG2 3.96Å; M482-V523 HydrophobicContact CE-CB 4.48Å; M482-V523 HydrophobicContact CE-CG1 3.49Å; M482-V523 VanDerWaalsContact CE-CG1 3.49Å; M482-V523 HydrophobicContact CE-CG2 4.24Å; M482-V523 HydrophobicContact CG-CG1 4.04Å; I486-V523 HydrophobicContact CD1-CG2 3.89Å; L519-V523 WeakPolarHBondContact O-CG2 3.41Å; L519-V523 PolarHBondContact O-N 3.17Å; D520-V523 PolarHBondContact O-N 3.19Å; E521-V523 VanDerWaalsContact C-N 3.33Å; E521-V523 PolarHBondContact O-N 3.39Å; V523-S525 VanDerWaalsContact C-N 3.27Å; V523-S525 PolarHBondContact O-N 3.41Å; V523-F526 PolarHBondContact O-N 3.27Å; V523-G527 VanDerWaalsContact O-CA 3.32Å; V523-G527 WeakPolarHBondContact O-CA 3.28Å; V523-G527 PolarHBondContact O-N 3.47Å
524	R	97.9	Very high	97.3	Very high	65 Å²	65	39.8 Å²	39.8	25%	0.245	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-36.7	177	-72.1	-165.1	-67.4	-83.1	-3.7	112.7	H131 M132 N133 R135 L473 D520 E521 F522	H131-R524 VanDerWaalsContact O-CD 3.31Å; H131-R524 WeakPolarHBondContact O-CD 3.46Å; H131-R524 WeakPolarHBondContact O-CG 3.49Å; M132-R524 CarbonylContact C-O 3.55Å; N133-R524 WeakPolarHBondContact OD1-CD 3.46Å; N133-R524 PolarHBondContact OD1-NE 3.47Å; R135-R524 PolarHBondContact NE-O 2.77Å; R135-R524 PolarHBondContact NH2-O 3.48Å; L473-R524 HydrophobicContact CD1-CG 4.37Å; D520-R524 WeakPolarHBondContact O-CG 3.44Å; D520-R524 PolarHBondContact O-N 2.92Å; E521-R524 PolarHBondContact O-N 3.48Å; E521-R524 IonicContact OE2-CZ 3.57Å; E521-R524 IonicContact OE2-NE 3.73Å; E521-R524 PolarHBondContact OE2-NE 3.2Å; E521-R524 IonicContact OE2-NH2 2.65Å; E521-R524 PolarHBondContact OE2-NH2 3.31Å; F522-R524 PolarHBondContact O-N 3.05Å
525	S	96.7	Very high	97.5	Very high	35 Å²	35	34.2 Å²	34.2	25%	0.245	18%	0.178	C	C	.	.	H	α-helix	trans	-82.4	-28.6	-177.4	-76.8	0	0	0	0	114.5	N133 R135 E521 F522 V523	N133-S525 PolarHBondContact ND2-OG 3.33Å; R135-S525 PolarHBondContact NE-O 3.26Å; R135-S525 PolarHBondContact NH1-O 2.98Å; E521-S525 WeakPolarHBondContact O-CB 3.2Å; E521-S525 PolarHBondContact O-N 3.08Å; E521-S525 PolarHBondContact O-OG 3.02Å; E521-S525 PolarHBondContact OE1-OG 2.99Å; F522-S525 PolarHBondContact O-N 2.91Å; V523-S525 VanDerWaalsContact C-N 3.27Å; V523-S525 PolarHBondContact O-N 3.41Å
526	F	95.9	Very high	97.4	Very high	127 Å²	127	32 Å²	32	56%	0.557	16%	0.163	S	C	*	.	H	α-helix	trans	-132.6	-8.2	-170.2	-62.7	-76.6	0	0	0	115.6	F522 V523	F522-F526 AromaticContact CD2-CD2 3.36Å; F522-F526 HydrophobicContact CD2-CD2 3.36Å; F522-F526 AromaticContact CD2-CE2 3.89Å; F522-F526 HydrophobicContact CD2-CE2 3.89Å; F522-F526 HydrophobicContact CD2-CG 4.24Å; F522-F526 HydrophobicContact CE1-CB 4.36Å; F522-F526 HydrophobicContact CE2-CB 4.07Å; F522-F526 AromaticContact CE2-CD2 3.34Å; F522-F526 HydrophobicContact CE2-CD2 3.34Å; F522-F526 AromaticContact CE2-CE2 3.94Å; F522-F526 HydrophobicContact CE2-CE2 3.94Å; F522-F526 AromaticContact CE2-CG 3.83Å; F522-F526 HydrophobicContact CE2-CG 3.83Å; F522-F526 HydrophobicContact CG-CD2 4.14Å; F522-F526 HydrophobicContact CZ-CB 3.99Å; F522-F526 HydrophobicContact CZ-CD2 4.14Å; F522-F526 HydrophobicContact CZ-CG 4.24Å; F522-F526 WeakPolarHBondContact O-CB 3.38Å; F522-F526 WeakPolarHBondContact O-CD2 3.41Å; F522-F526 PolarHBondContact O-N 3.48Å; V523-F526 PolarHBondContact O-N 3.27Å
527	G	96.9	Very high	97.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.			trans	-63.1	137.3	172	0	0	0	0	0	110.8	M132 R135 M137 E357 V523	M132-G527 WeakPolarHBondContact CE-O 3.37Å; R135-G527 PolarHBondContact NH2-O 2.96Å; M137-G527 WeakPolarHBondContact CE-O 3.36Å; E357-G527 CarbonylContact O-C 3.44Å; E357-G527 WeakPolarHBondContact O-CA 3.28Å; V523-G527 VanDerWaalsContact O-CA 3.32Å; V523-G527 WeakPolarHBondContact O-CA 3.28Å; V523-G527 PolarHBondContact O-N 3.47Å
528	D	95	Very high	97.4	Very high	22 Å²	22	26.1 Å²	26.1	12%	0.118	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	161.8	-176.3	-102.9	-48.5	0	0	0	112.2	M137 L356 E357 H430	M137-D528 HydrophobicContact CE-CB 4.43Å; M137-D528 VanDerWaalsContact CE-OD1 3.24Å; M137-D528 WeakPolarHBondContact CE-OD1 3.23Å; L356-D528 WeakPolarHBondContact CD1-O 3.47Å; E357-D528 PolarHBondContact N-O 3.34Å; E357-D528 PolarHBondContact O-N 3.25Å; E357-D528 VanDerWaalsContact O-O 3.1Å; H430-D528 IonicContact CE1-OD1 2.68Å; H430-D528 PolarHBondContact CE1-OD1 3.46Å; H430-D528 VanDerWaalsContact CE1-OD1 3.25Å; H430-D528 IonicContact CE1-OD2 3.42Å; H430-D528 PolarHBondContact CE1-OD2 3.36Å; H430-D528 IonicContact NE2-OD1 3.4Å; H430-D528 IonicContact NE2-OD2 3.3Å
529	S	96.1	Very high	97.4	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.007	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	135.9	176.6	-178.3	0	0	0	0	111.3	D354 Y472 Y531	D354-S529 PolarHBondContact OD1-OG 2.73Å; D354-S529 WeakPolarHBondContact OD2-CB 3.44Å; D354-S529 PolarHBondContact OD2-OG 3.16Å; Y472-S529 WeakPolarHBondContact OH-CB 3.38Å; Y472-S529 PolarHBondContact OH-OG 3.01Å; S529-Y531 WeakPolarHBondContact O-CD1 3.39Å; S529-Y531 WeakPolarHBondContact O-CE1 3.46Å; S529-Y531 PolarHBondContact O-N 3.44Å; S529-Y531 WeakPolarHBondContact OG-CA 3.31Å; S529-Y531 PolarHBondContact OG-N 2.71Å
530	A	95.7	Very high	97.4	Very high	13 Å²	13	23.3 Å²	23.3	11%	0.107	11%	0.11	C	C	.	.			trans	-78.8	4.8	164.5	0	0	0	0	0	112.5	H355 E357 H532	H355-A530 HydrophobicContact CB-CB 3.87Å; H355-A530 WeakPolarHBondContact O-CB 3.41Å; H355-A530 PolarHBondContact O-N 2.85Å; E357-A530 HydrophobicContact CB-CB 4.45Å; E357-A530 VanDerWaalsContact CD-CB 3.43Å; E357-A530 HydrophobicContact CG-CB 3.83Å; E357-A530 WeakPolarHBondContact OE1-CA 3.4Å; A530-H532 PolarHBondContact O-CE1 3.13Å; A530-H532 PolarHBondContact O-ND1 2.99Å
531	Y	96.1	Very high	97.3	Very high	50 Å²	50	27.9 Å²	27.9	20%	0.196	13%	0.129	C	C	.	.	S	Bend	trans	64.7	41.2	177	-48.6	-39.3	0	0	0	114.9	Y138 P140 R141 H430 S529 P533	Y138-Y531 WeakPolarHBondContact O-CE1 3.4Å; P140-Y531 HydrophobicContact CG-CD1 4.11Å; P140-Y531 HydrophobicContact CG-CD2 3.9Å; P140-Y531 HydrophobicContact CG-CE1 3.77Å; P140-Y531 HydrophobicContact CG-CE2 3.5Å; P140-Y531 HydrophobicContact CG-CG 4.15Å; R141-Y531 PolarHBondContact NH1-O 2.87Å; R141-Y531 PolarHBondContact NH2-O 3.01Å; H430-Y531 PolarHBondContact CE1-OH 2.85Å; H430-Y531 VanDerWaalsContact CG-OH 3.26Å; H430-Y531 AromaticContact ND1-CZ 3.74Å; H430-Y531 PolarHBondContact ND1-OH 3.28Å; S529-Y531 WeakPolarHBondContact O-CD1 3.39Å; S529-Y531 WeakPolarHBondContact O-CE1 3.46Å; S529-Y531 PolarHBondContact O-N 3.44Å; S529-Y531 WeakPolarHBondContact OG-CA 3.31Å; S529-Y531 PolarHBondContact OG-N 2.71Å; Y531-P533 VanDerWaalsContact O-CD 3.27Å; Y531-P533 WeakPolarHBondContact O-CD 3.29Å
532	H	97.8	Very high	97.1	Very high	23 Å²	23	28 Å²	28	11%	0.106	13%	0.131	C	C	.	.			trans	-113.6	45.6	178.2	-64.9	134.6	0	0	0	114	D354 H355 A530 S534 I592 L597	D354-H532 WeakPolarHBondContact OD1-CA 3.43Å; D354-H532 PolarHBondContact OD1-N 3.05Å; H355-H532 HydrophobicContact CB-CB 4.27Å; H355-H532 AromaticContact ND1-CG 3.81Å; H355-H532 AromaticContact ND1-ND1 3.33Å; H355-H532 PolarHBondContact ND1-ND1 3.28Å; A530-H532 PolarHBondContact O-CE1 3.13Å; A530-H532 PolarHBondContact O-ND1 2.99Å; H532-S534 PolarHBondContact O-N 2.92Å; H532-I592 HydrophobicContact CB-CD1 4.17Å; H532-I592 VanDerWaalsContact O-CD1 3.24Å; H532-I592 WeakPolarHBondContact O-CD1 3.41Å; H532-L597 HydrophobicContact CB-CD1 3.73Å; H532-L597 HydrophobicContact CB-CG 3.81Å; H532-L597 WeakPolarHBondContact O-CD1 3.42Å
533	P	98.1	Very high	97	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.032	14%	0.136	C	C	.	.			trans	-64.3	138.6	176.6	29.6	-35.1	0	0	0	110.7	W139 A316 I317 L352 Q353 D354 Y531	W139-P533 HydrophobicContact CE3-CB 4.5Å; W139-P533 HydrophobicContact CH2-CB 4.11Å; W139-P533 HydrophobicContact CZ3-CB 3.75Å; W139-P533 HydrophobicContact CZ3-CG 4.24Å; A316-P533 VanDerWaalsContact CB-C 3.4Å; A316-P533 HydrophobicContact CB-CB 4.09Å; A316-P533 HydrophobicContact CB-CG 4.46Å; A316-P533 WeakPolarHBondContact CB-O 3.43Å; I317-P533 HydrophobicContact CD1-CG 4.47Å; L352-P533 HydrophobicContact CD1-CB 3.83Å; Q353-P533 CarbonylContact O-C 3.52Å; Q353-P533 VanDerWaalsContact O-CA 3.27Å; Q353-P533 WeakPolarHBondContact O-CA 3.22Å; D354-P533 VanDerWaalsContact OD1-N 3.15Å; Y531-P533 VanDerWaalsContact O-CD 3.27Å; Y531-P533 WeakPolarHBondContact O-CD 3.29Å
534	S	98.6	Very high	96.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-156.7	179	-173.2	60.3	0	0	0	0	111.9	Q353 H532 T536 A586 I592	Q353-S534 PolarHBondContact N-O 3.13Å; Q353-S534 PolarHBondContact O-N 2.94Å; Q353-S534 PolarHBondContact O-OG 3.26Å; H532-S534 PolarHBondContact O-N 2.92Å; S534-T536 VanDerWaalsContact C-N 3.27Å; S534-T536 PolarHBondContact O-N 3.22Å; S534-T536 VanDerWaalsContact O-N 3.16Å; S534-A586 WeakPolarHBondContact CA-O 3.46Å; S534-A586 WeakPolarHBondContact CB-O 3.36Å; S534-I592 WeakPolarHBondContact OG-CG1 3.32Å
535	C	97.9	Very high	96.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.			trans	71.1	4.7	164.7	-47.5	0	0	0	0	117.8	N351 Q353 C537 R538 A586 S587 M589 I592	N351-C535 WeakPolarHBondContact ND2-CB 3.22Å; N351-C535 PolarHBondContact ND2-O 3.25Å; N351-C535 VanDerWaalsContact O-CB 3.25Å; N351-C535 WeakPolarHBondContact O-CB 3.25Å; Q353-C535 HydrophobicContact CB-CB 4.43Å; Q353-C535 HydrophobicContact CG-CB 4.44Å; C535-C537 VanDerWaalsContact C-N 3.28Å; C535-C537 PolarHBondContact O-N 3.08Å; C535-R538 PolarHBondContact O-N 3.22Å; C535-A586 PolarHBondContact N-O 3.46Å; C535-S587 CarbonylContact C-O 3.6Å; C535-S587 WeakPolarHBondContact CA-O 3.41Å; C535-M589 WeakPolarHBondContact CA-O 3.18Å; C535-M589 VanDerWaalsContact CB-O 3.22Å; C535-M589 WeakPolarHBondContact CB-O 3.45Å; C535-M589 PolarHBondContact SG-O 3.49Å; C535-I592 PolarHBondContact SG-N 3.19Å; C535-I592 VanDerWaalsContact SG-N 3.35Å
536	T	97.7	Very high	96	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-8.4	-175.7	54.5	0	0	0	0	116.5	A316 G349 Q350 L352 I455 S534 S587	A316-T536 WeakPolarHBondContact CA-OG1 3.48Å; A316-T536 HydrophobicContact CB-CG2 4.5Å; A316-T536 WeakPolarHBondContact O-CB 3.43Å; A316-T536 VanDerWaalsContact O-CG2 3.28Å; A316-T536 WeakPolarHBondContact O-CG2 3.14Å; A316-T536 PolarHBondContact O-OG1 2.71Å; G349-T536 WeakPolarHBondContact CA-O 3.33Å; G349-T536 PolarHBondContact N-O 2.79Å; Q350-T536 VanDerWaalsContact O-CA 3.27Å; Q350-T536 WeakPolarHBondContact O-CA 3.4Å; L352-T536 HydrophobicContact CB-CG2 3.86Å; L352-T536 HydrophobicContact CD1-CG2 3.58Å; L352-T536 HydrophobicContact CG-CG2 4.29Å; I455-T536 HydrophobicContact CG1-CG2 3.79Å; S534-T536 VanDerWaalsContact C-N 3.27Å; S534-T536 PolarHBondContact O-N 3.22Å; S534-T536 VanDerWaalsContact O-N 3.16Å; T536-S587 PolarHBondContact N-O 2.91Å; T536-S587 VanDerWaalsContact N-O 3.15Å; T536-S587 VanDerWaalsContact OG1-CB 3.26Å; T536-S587 WeakPolarHBondContact OG1-CB 3.38Å
537	C	98.3	Very high	95.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	43.3	172.6	-63	0	0	0	0	109.9	C535 M539 V568 T569 I583 S587 I588	C535-C537 VanDerWaalsContact C-N 3.28Å; C535-C537 PolarHBondContact O-N 3.08Å; C537-M539 PolarHBondContact O-N 3.35Å; C537-V568 HydrophobicContact CB-CB 3.99Å; C537-V568 HydrophobicContact CB-CG1 3.81Å; C537-V568 HydrophobicContact CB-CG2 4.47Å; C537-T569 PolarHBondContact O-OG1 3.18Å; C537-I583 HydrophobicContact CB-CD1 3.68Å; C537-S587 CarbonylContact C-O 3.43Å; C537-S587 WeakPolarHBondContact CA-O 3.41Å; C537-S587 WeakPolarHBondContact CB-OG 3.22Å; C537-S587 PolarHBondContact N-O 3.42Å; C537-I588 WeakPolarHBondContact O-CA 3.37Å
538	R	97.8	Very high	94.3	Very high	28 Å²	28	36.8 Å²	36.8	11%	0.106	18%	0.18	C	C	.	.			trans	-33.2	129.9	-174.8	168.6	164.8	-165.6	-75.2	-4.9	114.5	E170 C535 G565 A567 V568 T569 S587	E170-R538 PolarHBondContact O-NH2 2.64Å; C535-R538 PolarHBondContact O-N 3.22Å; R538-G565 PolarHBondContact NH1-O 2.68Å; R538-A567 CarbonylContact O-C 3.21Å; R538-A567 WeakPolarHBondContact O-CA 3.49Å; R538-V568 PolarHBondContact O-N 2.87Å; R538-T569 PolarHBondContact O-N 3.37Å; R538-T569 VanDerWaalsContact O-N 3.12Å; R538-S587 PolarHBondContact N-O 3.3Å
539	M	98.5	Very high	93.3	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.015	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-74	140.4	166.5	-176.3	-179.2	-65.1	0	0	111.2	A172 W175 C537 T569 Q570 I588 P590	A172-M539 HydrophobicContact CB-CB 4.46Å; A172-M539 HydrophobicContact CB-CG 3.88Å; A172-M539 HydrophobicContact CB-SD 3.44Å; A172-M539 WeakPolarHBondContact CB-SD 3.16Å; W175-M539 VanDerWaalsContact CD1-SD 3.51Å; W175-M539 HydrophobicContact CD2-SD 4.36Å; W175-M539 HydrophobicContact CG-SD 4.13Å; W175-M539 HydrophobicContact CZ2-CE 3.9Å; W175-M539 PolarHBondContact NE1-SD 2.98Å; W175-M539 VanDerWaalsContact NE1-SD 3.36Å; C537-M539 PolarHBondContact O-N 3.35Å; M539-T569 CarbonylContact C-O 3.57Å; M539-T569 VanDerWaalsContact CA-O 3.29Å; M539-T569 WeakPolarHBondContact CA-O 3.5Å; M539-T569 WeakPolarHBondContact CA-OG1 3.25Å; M539-T569 PolarHBondContact N-OG1 2.87Å; M539-Q570 WeakPolarHBondContact CG-O 3.25Å; M539-I588 WeakPolarHBondContact CB-O 3.44Å; M539-I588 HydrophobicContact CE-CB 4.47Å; M539-I588 HydrophobicContact CE-CD1 3.84Å; M539-I588 HydrophobicContact CE-CG1 4.35Å; M539-I588 PolarHBondContact N-O 3.3Å; M539-P590 HydrophobicContact CB-CG 4.16Å
540	G	97.6	Very high	92.3	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.021	22%	0.217	C	C	.	.	S	Bend	trans	168.7	-173.1	174.8	0	0	0	0	0	114.2	A567 T569 W576	G540-A567 VanDerWaalsContact C-CB 3.45Å; G540-A567 WeakPolarHBondContact O-CB 3.48Å; G540-T569 PolarHBondContact N-O 2.84Å; G540-W576 PolarHBondContact O-NE1 3.27Å; G540-W576 VanDerWaalsContact O-NE1 3.1Å
541	K	95.5	Very high	91.3	Very high	121 Å²	121	45.6 Å²	45.6	53%	0.526	24%	0.239	S	C	.	.	S	Bend	trans	-94.9	-22.2	-170.2	-64	-175.5	179.6	-179.5	0	115.8	D173 W576	D173-K541 WeakPolarHBondContact OD1-CE 3.25Å; D173-K541 IonicContact OD1-NZ 3.42Å; D173-K541 PolarHBondContact OD1-NZ 2.87Å; D173-K541 WeakPolarHBondContact OD2-CE 3.31Å; D173-K541 IonicContact OD2-NZ 3.37Å; D173-K541 PolarHBondContact OD2-NZ 3.42Å; K541-W576 VanDerWaalsContact O-CZ2 3.32Å; K541-W576 WeakPolarHBondContact O-CZ2 3.44Å
542	N	94.8	Very high	90.3	Very high	73 Å²	73	44.4 Å²	44.4	39%	0.39	24%	0.236	S	C	.	.			trans	-119.8	106.8	-173	178.5	5.5	0	0	0	110.6	D544 G545 A567	N542-D544 VanDerWaalsContact C-N 3.31Å; N542-D544 PolarHBondContact O-N 3.47Å; N542-D544 PolarHBondContact OD1-N 3.31Å; N542-G545 PolarHBondContact OD1-N 2.77Å; N542-A567 WeakPolarHBondContact O-CB 3.48Å; N542-A567 PolarHBondContact O-N 2.89Å
543	P	96.1	Very high	88.7	Confident	28 Å²	28	49 Å²	49	18%	0.182	26%	0.258	C	S	.	.	S	Bend	trans	-70.7	-22.4	179.9	27.4	-33.5	0	0	0	114.9	L345 A567 W576	L345-P543 HydrophobicContact CD1-CB 3.83Å; P543-A567 VanDerWaalsContact CA-O 3.28Å; P543-A567 WeakPolarHBondContact CA-O 3.36Å; P543-W576 HydrophobicContact CB-CB 3.8Å; P543-W576 HydrophobicContact CB-CD2 4.07Å; P543-W576 HydrophobicContact CB-CG 3.74Å; P543-W576 HydrophobicContact CG-CB 4.41Å; P543-W576 HydrophobicContact CG-CD2 3.97Å; P543-W576 HydrophobicContact CG-CE3 4.01Å; P543-W576 HydrophobicContact CG-CG 4.16Å
544	D	92.8	Very high	87.3	Confident	95 Å²	95	53.9 Å²	53.9	51%	0.508	28%	0.283	S	S	.	.	S	Bend	trans	-83.4	-27.4	-176.9	-62.4	-40.7	0	0	0	112.6	N542 R563	N542-D544 VanDerWaalsContact C-N 3.31Å; N542-D544 PolarHBondContact O-N 3.47Å; N542-D544 PolarHBondContact OD1-N 3.31Å; D544-R563 PolarHBondContact O-NH1 3.23Å
545	G	90.6	Very high	85.9	Confident	16 Å²	16	59.3 Å²	59.3	17%	0.165	31%	0.307	C	S	.	.			trans	54.5	-149.5	-171.3	0	0	0	0	0	112.1	N542 I564	N542-G545 PolarHBondContact OD1-N 2.77Å; G545-I564 CarbonylContact C-O 3.58Å; G545-I564 WeakPolarHBondContact CA-O 3.42Å
546	R	87.9	Confident	84.4	Confident	121 Å²	121	60.4 Å²	60.4	46%	0.457	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	154.2	166.5	66.5	174.8	-174.1	78.5	-1.6	110.3	D552 R563 I564	R546-D552 IonicContact CZ-OD1 3.17Å; R546-D552 IonicContact CZ-OD2 2.79Å; R546-D552 IonicContact NH1-OD1 2.72Å; R546-D552 IonicContact NH1-OD2 2.71Å; R546-D552 PolarHBondContact NH1-OD2 3.03Å; R546-D552 IonicContact NH2-OD1 2.75Å; R546-D552 PolarHBondContact NH2-OD1 2.76Å; R546-D552 IonicContact NH2-OD2 3.42Å; R546-D552 PolarHBondContact NH2-OD2 3.35Å; R546-R563 CarbonylContact O-C 3.59Å; R546-R563 VanDerWaalsContact O-CA 3.24Å; R546-R563 WeakPolarHBondContact O-CA 3.21Å; R546-I564 HydrophobicContact CG-CB 4.22Å; R546-I564 PolarHBondContact N-O 3.39Å; R546-I564 PolarHBondContact O-N 2.87Å
547	K	80.7	Confident	83	Confident	148 Å²	148	60.5 Å²	60.5	64%	0.643	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	141.2	171.9	-67.7	-173.1	178.3	-175.3	0	109.8
548	A	76.8	Confident	82.1	Confident	23 Å²	23	61.7 Å²	61.7	19%	0.19	32%	0.321	C	S	.	.			trans	-61.3	132.2	166.3	0	0	0	0	0	109.8	D552 G562 I564	A548-D552 WeakPolarHBondContact CA-OD2 3.11Å; A548-D552 HydrophobicContact CB-CB 4Å; A548-G562 PolarHBondContact N-O 2.99Å; A548-I564 HydrophobicContact CB-CD1 3.81Å; A548-I564 HydrophobicContact CB-CG1 4.14Å
549	G	74.9	Confident	81.1	Confident	34 Å²	34	61.3 Å²	61.3	35%	0.351	32%	0.321	S	S	.	.			trans	-94.7	178	168.1	0	0	0	0	0	111.4	D551 D552 E553	G549-D551 PolarHBondContact O-N 2.91Å; G549-D552 PolarHBondContact N-OD2 2.86Å; G549-D552 WeakPolarHBondContact O-CB 3.3Å; G549-D552 PolarHBondContact O-N 3.41Å; G549-E553 PolarHBondContact O-N 3.44Å; G549-E553 VanDerWaalsContact O-N 3.16Å
550	S	73.3	Confident	79.5	Confident	80 Å²	80	63.9 Å²	63.9	56%	0.559	35%	0.348	S	S	*	.	H	α-helix	trans	-54.2	-40.4	177.9	51.3	0	0	0	0	112.9	D552 E553 I554	S550-D552 VanDerWaalsContact C-N 3.28Å; S550-D552 PolarHBondContact O-N 3.17Å; S550-E553 PolarHBondContact O-N 2.79Å; S550-I554 WeakPolarHBondContact O-CG1 3.41Å; S550-I554 PolarHBondContact O-N 2.91Å
551	D	74.6	Confident	77.9	Confident	108 Å²	108	67 Å²	67	58%	0.578	36%	0.364	S	S	*	.	H	α-helix	trans	-66.9	-32.8	-179.9	-63.8	-6.2	0	0	0	111.4	G549 I554 H555	G549-D551 PolarHBondContact O-N 2.91Å; D551-I554 PolarHBondContact O-N 2.95Å; D551-H555 VanDerWaalsContact O-CB 3.32Å; D551-H555 WeakPolarHBondContact O-CB 3.24Å; D551-H555 PolarHBondContact O-CD2 2.72Å; D551-H555 PolarHBondContact O-N 2.91Å
552	D	75.2	Confident	76.4	Confident	25 Å²	25	61.2 Å²	61.2	13%	0.134	34%	0.339	C	S	.	.	H	α-helix	trans	-70.5	-40.2	176.5	-61.2	-60.9	0	0	0	111.4	R546 A548 G549 S550 I554 H555 S556 G557 I564	R546-D552 IonicContact CZ-OD1 3.17Å; R546-D552 IonicContact CZ-OD2 2.79Å; R546-D552 IonicContact NH1-OD1 2.72Å; R546-D552 IonicContact NH1-OD2 2.71Å; R546-D552 PolarHBondContact NH1-OD2 3.03Å; R546-D552 IonicContact NH2-OD1 2.75Å; R546-D552 PolarHBondContact NH2-OD1 2.76Å; R546-D552 IonicContact NH2-OD2 3.42Å; R546-D552 PolarHBondContact NH2-OD2 3.35Å; A548-D552 WeakPolarHBondContact CA-OD2 3.11Å; A548-D552 HydrophobicContact CB-CB 4Å; G549-D552 PolarHBondContact N-OD2 2.86Å; G549-D552 WeakPolarHBondContact O-CB 3.3Å; G549-D552 PolarHBondContact O-N 3.41Å; S550-D552 VanDerWaalsContact C-N 3.28Å; S550-D552 PolarHBondContact O-N 3.17Å; D552-I554 PolarHBondContact O-N 3.08Å; D552-H555 PolarHBondContact O-N 2.92Å; D552-S556 VanDerWaalsContact C-OG 3.27Å; D552-S556 WeakPolarHBondContact CA-OG 3.37Å; D552-S556 WeakPolarHBondContact CB-OG 3.37Å; D552-S556 CarbonylContact O-C 3.45Å; D552-S556 WeakPolarHBondContact O-CA 3.49Å; D552-S556 WeakPolarHBondContact O-CB 3.35Å; D552-S556 PolarHBondContact O-N 3.06Å; D552-S556 PolarHBondContact O-OG 3.18Å; D552-G557 PolarHBondContact O-N 3.3Å; D552-G557 VanDerWaalsContact O-N 3.16Å; D552-I564 HydrophobicContact CB-CD1 3.42Å; D552-I564 VanDerWaalsContact CB-CD1 3.42Å; D552-I564 WeakPolarHBondContact OD1-CD1 3.46Å; D552-I564 WeakPolarHBondContact OD2-CD1 3.15Å
553	E	65	Low	75.7	Confident	119 Å²	119	60.5 Å²	60.5	56%	0.556	33%	0.33	S	S	*	.	H	α-helix	trans	-60.2	-36.3	176.6	-67.1	-176.8	176.8	0	0	111.6	G549 S550	G549-E553 PolarHBondContact O-N 3.44Å; G549-E553 VanDerWaalsContact O-N 3.16Å; S550-E553 PolarHBondContact O-N 2.79Å
554	I	67.8	Low	75.2	Confident	108 Å²	108	60.5 Å²	60.5	55%	0.554	33%	0.329	S	S	*	.	H	α-helix	trans	-76.6	-42.9	178.4	-62	168.1	0	0	0	111.7	S550 D551 D552	S550-I554 WeakPolarHBondContact O-CG1 3.41Å; S550-I554 PolarHBondContact O-N 2.91Å; D551-I554 PolarHBondContact O-N 2.95Å; D552-I554 PolarHBondContact O-N 3.08Å
555	H	69.7	Low	75	Confident	113 Å²	113	57.1 Å²	57.1	52%	0.523	32%	0.317	S	S	.	.	H	α-helix	trans	-107.8	-18.5	-166.2	-63.2	-57.1	0	0	0	116	D551 D552	D551-H555 VanDerWaalsContact O-CB 3.32Å; D551-H555 WeakPolarHBondContact O-CB 3.24Å; D551-H555 PolarHBondContact O-CD2 2.72Å; D551-H555 PolarHBondContact O-N 2.91Å; D552-H555 PolarHBondContact O-N 2.92Å
556	S	66	Low	75.1	Confident	24 Å²	24	56.6 Å²	56.6	17%	0.168	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-11.1	-179.1	72.1	0	0	0	0	113	D552 Y558	D552-S556 VanDerWaalsContact C-OG 3.27Å; D552-S556 WeakPolarHBondContact CA-OG 3.37Å; D552-S556 WeakPolarHBondContact CB-OG 3.37Å; D552-S556 CarbonylContact O-C 3.45Å; D552-S556 WeakPolarHBondContact O-CA 3.49Å; D552-S556 WeakPolarHBondContact O-CB 3.35Å; D552-S556 PolarHBondContact O-N 3.06Å; D552-S556 PolarHBondContact O-OG 3.18Å; S556-Y558 PolarHBondContact O-N 2.77Å; S556-Y558 VanDerWaalsContact O-N 3.11Å; S556-Y558 VanDerWaalsContact OG-CD2 3.3Å; S556-Y558 WeakPolarHBondContact OG-CD2 3.43Å
557	G	70.2	Confident	75.6	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.01	29%	0.289	C	S	.	.			trans	58.6	24.1	177.2	0	0	0	0	0	113.7	R452 N471 D552	R452-G557 PolarHBondContact N-O 3.13Å; N471-G557 PolarHBondContact ND2-O 3.39Å; D552-G557 PolarHBondContact O-N 3.3Å; D552-G557 VanDerWaalsContact O-N 3.16Å
558	Y	78.9	Confident	76.4	Confident	25 Å²	25	43.8 Å²	43.8	10%	0.098	26%	0.258	C	S	.	.			trans	-62	140	171.4	-88.2	-102	0	0	0	110.1	N351 R452 S556 I564	N351-Y558 HydrophobicContact CB-CE1 4.31Å; N351-Y558 PolarHBondContact OD1-OH 3.46Å; R452-Y558 HydrophobicContact CB-CD1 4.32Å; R452-Y558 HydrophobicContact CB-CD2 3.89Å; R452-Y558 HydrophobicContact CB-CE1 4.44Å; R452-Y558 HydrophobicContact CB-CE2 4.07Å; R452-Y558 HydrophobicContact CB-CG 4.06Å; R452-Y558 HydrophobicContact CG-CD2 3.83Å; R452-Y558 HydrophobicContact CG-CE2 3.58Å; R452-Y558 HydrophobicContact CG-CG 4.47Å; S556-Y558 PolarHBondContact O-N 2.77Å; S556-Y558 VanDerWaalsContact O-N 3.11Å; S556-Y558 VanDerWaalsContact OG-CD2 3.3Å; S556-Y558 WeakPolarHBondContact OG-CD2 3.43Å; Y558-I564 HydrophobicContact CD1-CG1 4.02Å; Y558-I564 HydrophobicContact CD2-CD1 4.14Å; Y558-I564 HydrophobicContact CD2-CG1 3.9Å; Y558-I564 HydrophobicContact CE1-CG1 4.08Å; Y558-I564 HydrophobicContact CE2-CD1 4.4Å; Y558-I564 HydrophobicContact CE2-CG1 3.94Å; Y558-I564 HydrophobicContact CE2-CG2 4.25Å; Y558-I564 HydrophobicContact CG-CD1 4.39Å; Y558-I564 HydrophobicContact CG-CG1 3.91Å
559	L	76.2	Confident	77.5	Confident	21 Å²	21	42.7 Å²	42.7	11%	0.11	25%	0.249	C	C	.	.			trans	-97.4	150.3	176.6	-69.3	-179.7	0	0	0	111.9	Q454 D469 N471 G562	Q454-L559 HydrophobicContact CG-CB 4.39Å; Q454-L559 HydrophobicContact CG-CD1 4.24Å; D469-L559 HydrophobicContact CB-CD1 4.12Å; D469-L559 VanDerWaalsContact CG-CD1 3.41Å; D469-L559 WeakPolarHBondContact OD2-CD1 3.46Å; N471-L559 HydrophobicContact CB-CD1 3.66Å; N471-L559 HydrophobicContact CB-CD2 4.23Å; N471-L559 HydrophobicContact CB-CG 3.85Å; N471-L559 WeakPolarHBondContact ND2-CD2 3.49Å; L559-G562 PolarHBondContact O-N 2.62Å
560	G	65.9	Low	78.6	Confident	56 Å²	56	43.9 Å²	43.9	58%	0.577	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	-144.5	165.3	0	0	0	0	0	114.5	G562	G560-G562 PolarHBondContact O-N 3.26Å; G560-G562 VanDerWaalsContact O-N 3.09Å
561	N	63.8	Low	79.8	Confident	67 Å²	67	41.5 Å²	41.5	36%	0.358	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	15.7	172.7	57.4	-10	0	0	0	113.2	D330 R563	D330-N561 PolarHBondContact OD2-ND2 2.82Å; N561-R563 PolarHBondContact O-N 3.17Å
562	G	62.9	Low	80.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.212	C	C	.	.			trans	-41.3	115.4	-170.9	0	0	0	0	0	113	A548 L559 G560 I564	A548-G562 PolarHBondContact N-O 2.99Å; L559-G562 PolarHBondContact O-N 2.62Å; G560-G562 PolarHBondContact O-N 3.26Å; G560-G562 VanDerWaalsContact O-N 3.09Å; G562-I564 PolarHBondContact O-N 3.27Å
563	R	80.1	Confident	82.1	Confident	58 Å²	58	37.2 Å²	37.2	22%	0.219	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	102.5	174.2	-65.6	-65.7	-169.1	127.1	2.1	109.3	P346 D544 R546 N561 G565 A566	P346-R563 HydrophobicContact CB-CB 4.35Å; P346-R563 HydrophobicContact CB-CG 3.57Å; P346-R563 HydrophobicContact CG-CB 4.28Å; P346-R563 HydrophobicContact CG-CG 3.64Å; D544-R563 PolarHBondContact O-NH1 3.23Å; R546-R563 CarbonylContact O-C 3.59Å; R546-R563 VanDerWaalsContact O-CA 3.24Å; R546-R563 WeakPolarHBondContact O-CA 3.21Å; N561-R563 PolarHBondContact O-N 3.17Å; R563-G565 PolarHBondContact O-N 2.74Å; R563-A566 HydrophobicContact CB-CB 3.5Å; R563-A566 WeakPolarHBondContact O-CB 3.33Å; R563-A566 PolarHBondContact O-N 3.18Å
564	I	85.3	Confident	83.7	Confident	28 Å²	28	34.8 Å²	34.8	14%	0.144	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	127.4	177.8	-58.9	179.3	0	0	0	108.8	G545 R546 A548 D552 Y558 G562 A566	G545-I564 CarbonylContact C-O 3.58Å; G545-I564 WeakPolarHBondContact CA-O 3.42Å; R546-I564 HydrophobicContact CG-CB 4.22Å; R546-I564 PolarHBondContact N-O 3.39Å; R546-I564 PolarHBondContact O-N 2.87Å; A548-I564 HydrophobicContact CB-CD1 3.81Å; A548-I564 HydrophobicContact CB-CG1 4.14Å; D552-I564 HydrophobicContact CB-CD1 3.42Å; D552-I564 VanDerWaalsContact CB-CD1 3.42Å; D552-I564 WeakPolarHBondContact OD1-CD1 3.46Å; D552-I564 WeakPolarHBondContact OD2-CD1 3.15Å; Y558-I564 HydrophobicContact CD1-CG1 4.02Å; Y558-I564 HydrophobicContact CD2-CD1 4.14Å; Y558-I564 HydrophobicContact CD2-CG1 3.9Å; Y558-I564 HydrophobicContact CE1-CG1 4.08Å; Y558-I564 HydrophobicContact CE2-CD1 4.4Å; Y558-I564 HydrophobicContact CE2-CG1 3.94Å; Y558-I564 HydrophobicContact CE2-CG2 4.25Å; Y558-I564 HydrophobicContact CG-CD1 4.39Å; Y558-I564 HydrophobicContact CG-CG1 3.91Å; G562-I564 PolarHBondContact O-N 3.27Å; I564-A566 PolarHBondContact O-N 3.36Å
565	G	88.4	Confident	85.2	Confident	25 Å²	25	29.7 Å²	29.7	26%	0.258	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	6.4	179.1	0	0	0	0	0	115.2	R538 R563 A567	R538-G565 PolarHBondContact NH1-O 2.68Å; R563-G565 PolarHBondContact O-N 2.74Å; G565-A567 PolarHBondContact O-N 3.43Å
566	A	94.3	Very high	86.5	Confident	5 Å²	5	27.4 Å²	27.4	4%	0.041	15%	0.154	C	C	.	.			trans	-64.4	117.1	174.2	0	0	0	0	0	110.5	R563 I564	R563-A566 HydrophobicContact CB-CB 3.5Å; R563-A566 WeakPolarHBondContact O-CB 3.33Å; R563-A566 PolarHBondContact O-N 3.18Å; I564-A566 PolarHBondContact O-N 3.36Å
567	A	97.5	Very high	88	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.167	C	C	.	.			trans	-81.6	137.3	175.9	0	0	0	0	0	110.5	R538 G540 N542 P543 G565	R538-A567 CarbonylContact O-C 3.21Å; R538-A567 WeakPolarHBondContact O-CA 3.49Å; G540-A567 VanDerWaalsContact C-CB 3.45Å; G540-A567 WeakPolarHBondContact O-CB 3.48Å; N542-A567 WeakPolarHBondContact O-CB 3.48Å; N542-A567 PolarHBondContact O-N 2.89Å; P543-A567 VanDerWaalsContact CA-O 3.28Å; P543-A567 WeakPolarHBondContact CA-O 3.36Å; G565-A567 PolarHBondContact O-N 3.43Å
568	V	98.6	Very high	89.4	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-99.6	-34.5	169.4	176.8	0	0	0	0	110	L323 L345 G347 V348 C537 R538 V575 W576 I583	L323-V568 HydrophobicContact CD1-CG1 4.12Å; L345-V568 HydrophobicContact CD2-CB 4.35Å; L345-V568 HydrophobicContact CD2-CG1 3.8Å; L345-V568 HydrophobicContact CG-CG2 4.48Å; G347-V568 WeakPolarHBondContact O-CG2 3.1Å; V348-V568 HydrophobicContact CB-CG2 4.47Å; V348-V568 HydrophobicContact CG2-CG1 3.85Å; V348-V568 HydrophobicContact CG2-CG2 3.89Å; C537-V568 HydrophobicContact CB-CB 3.99Å; C537-V568 HydrophobicContact CB-CG1 3.81Å; C537-V568 HydrophobicContact CB-CG2 4.47Å; R538-V568 PolarHBondContact O-N 2.87Å; V568-V575 WeakPolarHBondContact O-CA 3.46Å; V568-W576 PolarHBondContact O-N 3Å; V568-I583 HydrophobicContact CG1-CD1 4.03Å
569	T	98.8	Very high	90.3	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-118.6	154.3	180	53.2	0	0	0	0	113.4	C537 R538 M539 G540 K574 V575 W576 I583 I588	C537-T569 PolarHBondContact O-OG1 3.18Å; R538-T569 PolarHBondContact O-N 3.37Å; R538-T569 VanDerWaalsContact O-N 3.12Å; M539-T569 CarbonylContact C-O 3.57Å; M539-T569 VanDerWaalsContact CA-O 3.29Å; M539-T569 WeakPolarHBondContact CA-O 3.5Å; M539-T569 WeakPolarHBondContact CA-OG1 3.25Å; M539-T569 PolarHBondContact N-OG1 2.87Å; G540-T569 PolarHBondContact N-O 2.84Å; T569-K574 CarbonylContact C-O 3.58Å; T569-K574 WeakPolarHBondContact CA-O 3.42Å; T569-V575 HydrophobicContact CG2-CG2 4.41Å; T569-W576 PolarHBondContact O-NE1 3.01Å; T569-I583 HydrophobicContact CG2-CB 3.94Å; T569-I583 HydrophobicContact CG2-CD1 3.78Å; T569-I583 HydrophobicContact CG2-CG1 3.95Å; T569-I588 HydrophobicContact CG2-CG2 3.9Å
570	Q	98.6	Very high	91.4	Very high	59 Å²	59	32.2 Å²	32.2	28%	0.276	19%	0.19	S	C	.	.			trans	-88.6	170.7	171.5	-66.7	179.2	-42.5	0	0	110.7	M539 D572 C573 K574 W576	M539-Q570 WeakPolarHBondContact CG-O 3.25Å; Q570-D572 WeakPolarHBondContact CB-OD1 3.19Å; Q570-D572 PolarHBondContact O-N 2.76Å; Q570-D572 VanDerWaalsContact O-N 3.13Å; Q570-C573 WeakPolarHBondContact O-CA 3.49Å; Q570-C573 PolarHBondContact O-N 2.79Å; Q570-K574 PolarHBondContact N-O 3.1Å; Q570-W576 HydrophobicContact CG-CD2 3.79Å; Q570-W576 HydrophobicContact CG-CE3 4.38Å; Q570-W576 HydrophobicContact CG-CG 4.18Å; Q570-W576 HydrophobicContact CG-CH2 4.29Å; Q570-W576 HydrophobicContact CG-CZ2 3.66Å; Q570-W576 VanDerWaalsContact NE2-CZ3 3.3Å
571	S	98.3	Very high	92.9	Very high	30 Å²	30	29.6 Å²	29.6	21%	0.21	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.9	178.9	-57.4	0	0	0	0	114.6	D173 W175 C573	D173-S571 PolarHBondContact N-OG 2.79Å; W175-S571 PolarHBondContact NE1-O 2.98Å; S571-C573 VanDerWaalsContact C-N 3.3Å
572	D	98.4	Very high	94.6	Very high	42 Å²	42	26.5 Å²	26.5	23%	0.225	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	10.8	172.3	78.7	-22.9	0	0	0	112.7	Q570 K574 R582 I611	Q570-D572 WeakPolarHBondContact CB-OD1 3.19Å; Q570-D572 PolarHBondContact O-N 2.76Å; Q570-D572 VanDerWaalsContact O-N 3.13Å; D572-K574 VanDerWaalsContact C-N 3.26Å; D572-K574 PolarHBondContact O-N 3.35Å; D572-K574 WeakPolarHBondContact OD1-CB 3.41Å; D572-K574 WeakPolarHBondContact OD1-CG 3.4Å; D572-K574 PolarHBondContact OD1-N 2.88Å; D572-K574 VanDerWaalsContact OD1-N 3.16Å; D572-K574 WeakPolarHBondContact OD2-CD 3.4Å; D572-K574 WeakPolarHBondContact OD2-CE 3.41Å; D572-K574 WeakPolarHBondContact OD2-CG 3.47Å; D572-K574 IonicContact OD2-NZ 3.27Å; D572-K574 PolarHBondContact OD2-NZ 3Å; D572-R582 VanDerWaalsContact CG-NH1 3.31Å; D572-R582 PolarHBondContact O-NH1 3.12Å; D572-R582 IonicContact OD1-NH1 3.39Å; D572-R582 IonicContact OD2-CZ 3.36Å; D572-R582 IonicContact OD2-NH1 2.74Å; D572-R582 PolarHBondContact OD2-NH1 2.58Å; D572-I611 HydrophobicContact CB-CG2 3.89Å
573	C	98.8	Very high	96.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	70.6	6.6	-179.6	-51	0	0	0	0	115.7	Q570 S571 R582 I583 V584	Q570-C573 WeakPolarHBondContact O-CA 3.49Å; Q570-C573 PolarHBondContact O-N 2.79Å; S571-C573 VanDerWaalsContact C-N 3.3Å; C573-R582 CarbonylContact O-C 3.55Å; C573-R582 WeakPolarHBondContact O-CA 3.48Å; C573-R582 WeakPolarHBondContact O-CB 3.43Å; C573-I583 WeakPolarHBondContact CB-O 3.36Å; C573-I583 PolarHBondContact O-N 3.35Å; C573-V584 HydrophobicContact CB-CG2 4.11Å
574	K	98.8	Very high	97.2	Very high	68 Å²	68	23.7 Å²	23.7	30%	0.296	14%	0.135	S	C	.	.	B	Isolated β-bridge	trans	-70.9	147.4	173.4	-72.7	179	-174.7	161.5	0	112.2	T569 Q570 D572 L581 R582	T569-K574 CarbonylContact C-O 3.58Å; T569-K574 WeakPolarHBondContact CA-O 3.42Å; Q570-K574 PolarHBondContact N-O 3.1Å; D572-K574 VanDerWaalsContact C-N 3.26Å; D572-K574 PolarHBondContact O-N 3.35Å; D572-K574 WeakPolarHBondContact OD1-CB 3.41Å; D572-K574 WeakPolarHBondContact OD1-CG 3.4Å; D572-K574 PolarHBondContact OD1-N 2.88Å; D572-K574 VanDerWaalsContact OD1-N 3.16Å; D572-K574 WeakPolarHBondContact OD2-CD 3.4Å; D572-K574 WeakPolarHBondContact OD2-CE 3.41Å; D572-K574 WeakPolarHBondContact OD2-CG 3.47Å; D572-K574 IonicContact OD2-NZ 3.27Å; D572-K574 PolarHBondContact OD2-NZ 3Å; K574-L581 WeakPolarHBondContact CA-O 3.46Å; K574-R582 VanDerWaalsContact CE-CZ 3.41Å; K574-R582 HydrophobicContact CG-CG 3.99Å
575	V	98.8	Very high	97.9	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-77.1	132.2	174.1	178.2	0	0	0	0	110.2	L345 V568 T569 G577 I578 L581 I583	L345-V575 HydrophobicContact CD2-CG1 3.65Å; V568-V575 WeakPolarHBondContact O-CA 3.46Å; T569-V575 HydrophobicContact CG2-CG2 4.41Å; V575-G577 PolarHBondContact O-N 3.33Å; V575-I578 HydrophobicContact CB-CB 4.24Å; V575-I578 HydrophobicContact CG1-CB 4.14Å; V575-I578 HydrophobicContact CG1-CG1 3.98Å; V575-I578 PolarHBondContact O-N 2.87Å; V575-L581 HydrophobicContact CB-CB 4.34Å; V575-L581 HydrophobicContact CB-CD2 4.19Å; V575-L581 HydrophobicContact CB-CG 4.24Å; V575-L581 HydrophobicContact CG1-CD2 4.43Å; V575-L581 HydrophobicContact CG2-CB 4.26Å; V575-L581 HydrophobicContact CG2-CD2 3.9Å; V575-L581 HydrophobicContact CG2-CG 3.73Å; V575-L581 PolarHBondContact N-O 3.41Å; V575-I583 HydrophobicContact CG2-CD1 3.78Å; V575-I583 HydrophobicContact CG2-CG1 3.68Å
576	W	98.3	Very high	98.3	Very high	64 Å²	64	22 Å²	22	24%	0.242	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	123.9	-179.9	-85.1	102.6	0	0	0	112.4	H343 L345 G540 K541 P543 V568 T569 Q570 I578	H343-W576 PolarHBondContact NE2-O 2.73Å; L345-W576 HydrophobicContact CD1-CB 3.97Å; G540-W576 PolarHBondContact O-NE1 3.27Å; G540-W576 VanDerWaalsContact O-NE1 3.1Å; K541-W576 VanDerWaalsContact O-CZ2 3.32Å; K541-W576 WeakPolarHBondContact O-CZ2 3.44Å; P543-W576 HydrophobicContact CB-CB 3.8Å; P543-W576 HydrophobicContact CB-CD2 4.07Å; P543-W576 HydrophobicContact CB-CG 3.74Å; P543-W576 HydrophobicContact CG-CB 4.41Å; P543-W576 HydrophobicContact CG-CD2 3.97Å; P543-W576 HydrophobicContact CG-CE3 4.01Å; P543-W576 HydrophobicContact CG-CG 4.16Å; V568-W576 PolarHBondContact O-N 3Å; T569-W576 PolarHBondContact O-NE1 3.01Å; Q570-W576 HydrophobicContact CG-CD2 3.79Å; Q570-W576 HydrophobicContact CG-CE3 4.38Å; Q570-W576 HydrophobicContact CG-CG 4.18Å; Q570-W576 HydrophobicContact CG-CH2 4.29Å; Q570-W576 HydrophobicContact CG-CZ2 3.66Å; Q570-W576 VanDerWaalsContact NE2-CZ3 3.3Å; W576-I578 VanDerWaalsContact C-N 3.26Å; W576-I578 PolarHBondContact O-N 3.09Å
577	G	97.7	Very high	98.6	Very high	41 Å²	41	21.8 Å²	21.8	42%	0.423	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	11.7	175.6	0	0	0	0	0	115.3	H343 V575	H343-G577 PolarHBondContact CE1-O 2.77Å; V575-G577 PolarHBondContact O-N 3.33Å
578	I	98.4	Very high	98.6	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.031	12%	0.121	C	C	.	.			trans	-126	121.5	177.1	-56.7	-65.7	0	0	0	109.2	F285 K288 I328 W342 H343 V575 W576 L581	F285-I578 HydrophobicContact CD1-CG2 4.48Å; F285-I578 HydrophobicContact CE1-CG2 3.8Å; K288-I578 WeakPolarHBondContact O-CA 3.36Å; I328-I578 HydrophobicContact CD1-CD1 4.15Å; I328-I578 HydrophobicContact CD1-CG1 4.14Å; W342-I578 HydrophobicContact CH2-CD1 3.67Å; W342-I578 HydrophobicContact CZ2-CD1 4.5Å; W342-I578 HydrophobicContact CZ3-CD1 4.13Å; H343-I578 HydrophobicContact CB-CD1 4.25Å; V575-I578 HydrophobicContact CB-CB 4.24Å; V575-I578 HydrophobicContact CG1-CB 4.14Å; V575-I578 HydrophobicContact CG1-CG1 3.98Å; V575-I578 PolarHBondContact O-N 2.87Å; W576-I578 VanDerWaalsContact C-N 3.26Å; W576-I578 PolarHBondContact O-N 3.09Å; I578-L581 HydrophobicContact CB-CB 4.37Å; I578-L581 HydrophobicContact CB-CD2 4.47Å; I578-L581 HydrophobicContact CG2-CB 3.61Å; I578-L581 HydrophobicContact CG2-CD2 3.8Å; I578-L581 HydrophobicContact CG2-CG 4.37Å
579	D	98.3	Very high	98.6	Very high	101 Å²	101	21.8 Å²	21.8	54%	0.54	12%	0.121	S	C	.	.	B	Isolated β-bridge	trans	-77.2	150.8	175.8	-60.1	-44.6	0	0	0	110.3	K288 R289 A290 L581	K288-D579 PolarHBondContact O-N 2.96Å; R289-D579 HydrophobicContact CB-CB 4.25Å; R289-D579 HydrophobicContact CG-CB 4.38Å; A290-D579 PolarHBondContact N-O 2.71Å; D579-L581 PolarHBondContact O-N 2.96Å
580	N	98.5	Very high	98.6	Very high	25 Å²	25	21.9 Å²	21.9	13%	0.134	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	18.4	176.3	-72.1	13	0	0	0	116.6	R289 A290 S308 E309 V310	R289-N580 HydrophobicContact CG-CB 4.21Å; R289-N580 VanDerWaalsContact CZ-CG 3.47Å; R289-N580 PolarHBondContact NE-ND2 3.04Å; R289-N580 PolarHBondContact NH1-ND2 3.39Å; R289-N580 PolarHBondContact NH1-OD1 3.49Å; R289-N580 PolarHBondContact NH2-ND2 2.93Å; A290-N580 HydrophobicContact CB-CB 4.3Å; A290-N580 VanDerWaalsContact O-CB 3.26Å; A290-N580 WeakPolarHBondContact O-CB 3.22Å; A290-N580 PolarHBondContact O-ND2 3.13Å; S308-N580 VanDerWaalsContact O-CB 3.3Å; S308-N580 WeakPolarHBondContact O-CB 3.18Å; S308-N580 PolarHBondContact O-ND2 2.9Å; S308-N580 PolarHBondContact O-OD1 3.35Å; E309-N580 CarbonylContact C-O 3.47Å; E309-N580 WeakPolarHBondContact CA-O 3.13Å; V310-N580 PolarHBondContact N-O 3.19Å
581	L	98.9	Very high	98.5	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	123.4	178.8	-172	60.8	0	0	0	110.3	I283 A290 V310 L312 L323 I328 K574 V575 I578 D579	I283-L581 HydrophobicContact CD1-CD1 4.06Å; I283-L581 HydrophobicContact CD1-CD2 4.21Å; A290-L581 HydrophobicContact CB-CB 4.08Å; A290-L581 HydrophobicContact CB-CD1 4.48Å; V310-L581 HydrophobicContact CB-CD1 3.99Å; V310-L581 HydrophobicContact CG1-CD1 4.01Å; V310-L581 WeakPolarHBondContact O-CA 3.39Å; L312-L581 HydrophobicContact CG-CD1 4.19Å; L323-L581 HydrophobicContact CD2-CD2 3.79Å; I328-L581 HydrophobicContact CD1-CD2 4.24Å; K574-L581 WeakPolarHBondContact CA-O 3.46Å; V575-L581 HydrophobicContact CB-CB 4.34Å; V575-L581 HydrophobicContact CB-CD2 4.19Å; V575-L581 HydrophobicContact CB-CG 4.24Å; V575-L581 HydrophobicContact CG1-CD2 4.43Å; V575-L581 HydrophobicContact CG2-CB 4.26Å; V575-L581 HydrophobicContact CG2-CD2 3.9Å; V575-L581 HydrophobicContact CG2-CG 3.73Å; V575-L581 PolarHBondContact N-O 3.41Å; I578-L581 HydrophobicContact CB-CB 4.37Å; I578-L581 HydrophobicContact CB-CD2 4.47Å; I578-L581 HydrophobicContact CG2-CB 3.61Å; I578-L581 HydrophobicContact CG2-CD2 3.8Å; I578-L581 HydrophobicContact CG2-CG 4.37Å; D579-L581 PolarHBondContact O-N 2.96Å
582	R	98.8	Very high	98.5	Very high	1 Å²	1	18.2 Å²	18.2	0%	0.004	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	160	170.8	-61.3	-165	-163.5	-109	-2.3	111.5	E309 V310 I311 L312 D572 C573 K574	E309-R582 VanDerWaalsContact CD-NE 3.26Å; E309-R582 IonicContact OE1-CZ 3.47Å; E309-R582 IonicContact OE1-NE 3.25Å; E309-R582 PolarHBondContact OE1-NE 3.2Å; E309-R582 IonicContact OE1-NH2 2.75Å; E309-R582 PolarHBondContact OE1-NH2 3.14Å; E309-R582 VanDerWaalsContact OE2-CD 3.25Å; E309-R582 WeakPolarHBondContact OE2-CD 3.35Å; E309-R582 WeakPolarHBondContact OE2-CG 3.5Å; E309-R582 IonicContact OE2-CZ 3.75Å; E309-R582 IonicContact OE2-NE 3.81Å; E309-R582 PolarHBondContact OE2-NE 2.81Å; E309-R582 IonicContact OE2-NH2 3.2Å; V310-R582 PolarHBondContact O-N 3.2Å; I311-R582 WeakPolarHBondContact CA-O 3.48Å; I311-R582 HydrophobicContact CG1-CB 4.43Å; I311-R582 HydrophobicContact CG2-CB 4.33Å; L312-R582 PolarHBondContact N-O 2.99Å; D572-R582 VanDerWaalsContact CG-NH1 3.31Å; D572-R582 PolarHBondContact O-NH1 3.12Å; D572-R582 IonicContact OD1-NH1 3.39Å; D572-R582 IonicContact OD2-CZ 3.36Å; D572-R582 IonicContact OD2-NH1 2.74Å; D572-R582 PolarHBondContact OD2-NH1 2.58Å; C573-R582 CarbonylContact O-C 3.55Å; C573-R582 WeakPolarHBondContact O-CA 3.48Å; C573-R582 WeakPolarHBondContact O-CB 3.43Å; K574-R582 VanDerWaalsContact CE-CZ 3.41Å; K574-R582 HydrophobicContact CG-CG 3.99Å
583	I	98.9	Very high	98.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.7	170.2	-46.6	176.1	0	0	0	107.8	L312 L323 C537 V568 T569 C573 V575 S587 I588	L312-I583 HydrophobicContact CB-CB 4.37Å; L312-I583 HydrophobicContact CB-CG1 4.16Å; L312-I583 HydrophobicContact CB-CG2 4.09Å; L312-I583 HydrophobicContact CD1-CD1 4.5Å; L312-I583 HydrophobicContact CD1-CG1 4.21Å; L312-I583 HydrophobicContact CG-CG1 4.41Å; L312-I583 CarbonylContact O-C 3.43Å; L312-I583 WeakPolarHBondContact O-CA 3.46Å; L323-I583 HydrophobicContact CD1-CD1 3.73Å; C537-I583 HydrophobicContact CB-CD1 3.68Å; V568-I583 HydrophobicContact CG1-CD1 4.03Å; T569-I583 HydrophobicContact CG2-CB 3.94Å; T569-I583 HydrophobicContact CG2-CD1 3.78Å; T569-I583 HydrophobicContact CG2-CG1 3.95Å; C573-I583 WeakPolarHBondContact CB-O 3.36Å; C573-I583 PolarHBondContact O-N 3.35Å; V575-I583 HydrophobicContact CG2-CD1 3.78Å; V575-I583 HydrophobicContact CG2-CG1 3.68Å; I583-S587 VanDerWaalsContact CG2-OG 3.3Å; I583-S587 WeakPolarHBondContact CG2-OG 3.43Å; I583-I588 HydrophobicContact CB-CG2 3.76Å; I583-I588 HydrophobicContact CG2-CG2 3.77Å; I583-I588 WeakPolarHBondContact O-CG2 3.31Å
584	V	98.9	Very high	98.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.			trans	-140.3	94.6	178.6	-174.7	0	0	0	0	107.6	A67 L71 I311 L312 S313 C573 A605 A608	A67-V584 HydrophobicContact CB-CG1 4.21Å; A67-V584 WeakPolarHBondContact CB-O 3.34Å; L71-V584 HydrophobicContact CD1-CB 3.81Å; L71-V584 HydrophobicContact CD1-CG1 4.02Å; L71-V584 HydrophobicContact CD1-CG2 4.17Å; L71-V584 HydrophobicContact CG-CG1 4.47Å; I311-V584 HydrophobicContact CG2-CB 4.3Å; I311-V584 HydrophobicContact CG2-CG2 3.93Å; L312-V584 PolarHBondContact O-N 3.29Å; S313-V584 WeakPolarHBondContact CB-O 3.28Å; S313-V584 PolarHBondContact OG-O 3.21Å; C573-V584 HydrophobicContact CB-CG2 4.11Å; V584-A605 HydrophobicContact CG1-CB 3.98Å; V584-A608 HydrophobicContact CB-CB 4.41Å; V584-A608 HydrophobicContact CG1-CB 3.69Å; V584-A608 HydrophobicContact CG2-CB 3.73Å
585	D	98.8	Very high	98.3	Very high	5 Å²	5	13 Å²	13	3%	0.027	8%	0.077	C	C	.	.	S	Bend	trans	-170	-163.4	172.3	58.1	49	0	0	0	109.8	A67 S313 G314 G315 S319 S587 I588 M604	A67-D585 HydrophobicContact CB-CB 4.37Å; S313-D585 WeakPolarHBondContact CA-OD2 3.42Å; G314-D585 PolarHBondContact N-OD2 3.47Å; G315-D585 VanDerWaalsContact CA-CG 3.46Å; G315-D585 WeakPolarHBondContact CA-OD2 3.22Å; G315-D585 PolarHBondContact N-OD2 3.2Å; S319-D585 WeakPolarHBondContact CB-OD2 3.31Å; S319-D585 PolarHBondContact OG-OD2 3.04Å; D585-S587 PolarHBondContact O-N 3.49Å; D585-S587 WeakPolarHBondContact OD1-CA 3.48Å; D585-S587 WeakPolarHBondContact OD1-CB 3.44Å; D585-S587 PolarHBondContact OD1-N 3.4Å; D585-S587 PolarHBondContact OD1-OG 2.9Å; D585-I588 WeakPolarHBondContact O-CG1 3.32Å; D585-M604 VanDerWaalsContact O-CE 3.28Å; D585-M604 WeakPolarHBondContact O-CE 3.26Å
586	A	98.7	Very high	98.2	Very high	13 Å²	13	13.8 Å²	13.8	11%	0.107	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-65.9	-16.7	179.8	0	0	0	0	0	114.8	A316 S534 C535 I588 M589 V601	A316-A586 HydrophobicContact CB-CB 4.47Å; S534-A586 WeakPolarHBondContact CA-O 3.46Å; S534-A586 WeakPolarHBondContact CB-O 3.36Å; C535-A586 PolarHBondContact N-O 3.46Å; A586-I588 VanDerWaalsContact C-N 3.31Å; A586-I588 PolarHBondContact O-N 3.04Å; A586-M589 HydrophobicContact CB-CE 4.37Å; A586-M589 WeakPolarHBondContact O-CG 3.35Å; A586-V601 HydrophobicContact CB-CG2 3.78Å
587	S	98.8	Very high	98.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-66.7	-29.4	-179.4	65.5	0	0	0	0	112.9	C535 T536 C537 R538 I583 D585 M589	C535-S587 CarbonylContact C-O 3.6Å; C535-S587 WeakPolarHBondContact CA-O 3.41Å; T536-S587 PolarHBondContact N-O 2.91Å; T536-S587 VanDerWaalsContact N-O 3.15Å; T536-S587 VanDerWaalsContact OG1-CB 3.26Å; T536-S587 WeakPolarHBondContact OG1-CB 3.38Å; C537-S587 CarbonylContact C-O 3.43Å; C537-S587 WeakPolarHBondContact CA-O 3.41Å; C537-S587 WeakPolarHBondContact CB-OG 3.22Å; C537-S587 PolarHBondContact N-O 3.42Å; R538-S587 PolarHBondContact N-O 3.3Å; I583-S587 VanDerWaalsContact CG2-OG 3.3Å; I583-S587 WeakPolarHBondContact CG2-OG 3.43Å; D585-S587 PolarHBondContact O-N 3.49Å; D585-S587 WeakPolarHBondContact OD1-CA 3.48Å; D585-S587 WeakPolarHBondContact OD1-CB 3.44Å; D585-S587 PolarHBondContact OD1-N 3.4Å; D585-S587 PolarHBondContact OD1-OG 2.9Å; S587-M589 VanDerWaalsContact C-N 3.31Å; S587-M589 PolarHBondContact O-N 3.3Å
588	I	98.8	Very high	98.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-80.3	-10.8	-174.9	68.5	175.1	0	0	0	114	C537 M539 T569 I583 D585 A586 P590 M604	C537-I588 WeakPolarHBondContact O-CA 3.37Å; M539-I588 WeakPolarHBondContact CB-O 3.44Å; M539-I588 HydrophobicContact CE-CB 4.47Å; M539-I588 HydrophobicContact CE-CD1 3.84Å; M539-I588 HydrophobicContact CE-CG1 4.35Å; M539-I588 PolarHBondContact N-O 3.3Å; T569-I588 HydrophobicContact CG2-CG2 3.9Å; I583-I588 HydrophobicContact CB-CG2 3.76Å; I583-I588 HydrophobicContact CG2-CG2 3.77Å; I583-I588 WeakPolarHBondContact O-CG2 3.31Å; D585-I588 WeakPolarHBondContact O-CG1 3.32Å; A586-I588 VanDerWaalsContact C-N 3.31Å; A586-I588 PolarHBondContact O-N 3.04Å; I588-P590 WeakPolarHBondContact O-CD 3.31Å; I588-M604 HydrophobicContact CD1-SD 4.27Å; I588-M604 HydrophobicContact CG1-SD 4.03Å
589	M	98.7	Very high	98.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.057	C	C	.	.			trans	-54.3	128	177.1	-64.2	-177.6	178.6	0	0	109.8	W167 C535 A586 S587 S591 L597 P600 V601 M604	W167-M589 HydrophobicContact CH2-CB 4.39Å; W167-M589 HydrophobicContact CH2-CG 3.82Å; W167-M589 HydrophobicContact CH2-SD 4.44Å; W167-M589 HydrophobicContact CZ2-CB 3.78Å; W167-M589 HydrophobicContact CZ2-CG 3.6Å; W167-M589 HydrophobicContact CZ2-SD 4.09Å; C535-M589 WeakPolarHBondContact CA-O 3.18Å; C535-M589 VanDerWaalsContact CB-O 3.22Å; C535-M589 WeakPolarHBondContact CB-O 3.45Å; C535-M589 PolarHBondContact SG-O 3.49Å; A586-M589 HydrophobicContact CB-CE 4.37Å; A586-M589 WeakPolarHBondContact O-CG 3.35Å; S587-M589 VanDerWaalsContact C-N 3.31Å; S587-M589 PolarHBondContact O-N 3.3Å; M589-S591 VanDerWaalsContact C-N 3.31Å; M589-S591 PolarHBondContact O-N 2.88Å; M589-L597 HydrophobicContact CE-CB 4.27Å; M589-L597 HydrophobicContact CE-CD1 4.42Å; M589-L597 HydrophobicContact CE-CD2 4.18Å; M589-L597 HydrophobicContact SD-CD1 4.23Å; M589-L597 HydrophobicContact SD-CD2 4.17Å; M589-P600 HydrophobicContact CE-CB 3.85Å; M589-V601 HydrophobicContact CE-CG2 3.79Å; M589-M604 HydrophobicContact CE-CE 3.39Å; M589-M604 HydrophobicContact CE-SD 4.31Å; M589-M604 HydrophobicContact CG-CE 3.86Å; M589-M604 HydrophobicContact CG-SD 3.93Å; M589-M604 HydrophobicContact SD-CE 4.49Å
590	P	97.9	Very high	98.3	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.013	3%	0.032	C	C	.	.	S	Bend	trans	-61	-42.6	174.4	-27.6	35.9	0	0	0	113.2	W167 E170 A172 N351 M539 I588	W167-P590 HydrophobicContact CB-CG 4.05Å; W167-P590 HydrophobicContact CD2-CG 4.45Å; W167-P590 HydrophobicContact CG-CB 4.4Å; W167-P590 HydrophobicContact CG-CG 3.95Å; E170-P590 HydrophobicContact CB-CB 4.01Å; E170-P590 VanDerWaalsContact OE2-CB 3.3Å; E170-P590 WeakPolarHBondContact OE2-CB 3.15Å; A172-P590 HydrophobicContact CB-CG 3.72Å; N351-P590 PolarHBondContact ND2-O 2.87Å; N351-P590 VanDerWaalsContact ND2-O 3.13Å; M539-P590 HydrophobicContact CB-CG 4.16Å; I588-P590 WeakPolarHBondContact O-CD 3.31Å
591	S	97.2	Very high	98.3	Very high	7 Å²	7	4.8 Å²	4.8	5%	0.049	3%	0.029	C	C	.	.	S	Bend	trans	-145	152	176.3	-76.2	0	0	0	0	109.9	W167 E170 M589	W167-S591 PolarHBondContact NE1-O 3.13Å; E170-S591 PolarHBondContact OE1-OG 2.89Å; E170-S591 WeakPolarHBondContact OE2-CB 3.26Å; E170-S591 PolarHBondContact OE2-OG 3.28Å; M589-S591 VanDerWaalsContact C-N 3.31Å; M589-S591 PolarHBondContact O-N 2.88Å
592	I	98	Very high	98.3	Very high	4 Å²	4	4.8 Å²	4.8	2%	0.021	3%	0.029	C	C	.	.			trans	-65.8	142.5	179.2	-162	167.7	0	0	0	110.7	R166 Q353 H355 M447 H532 S534 C535 L597	R166-I592 PolarHBondContact NH2-O 3.14Å; Q353-I592 HydrophobicContact CB-CB 4.01Å; Q353-I592 HydrophobicContact CB-CG2 4.17Å; H355-I592 VanDerWaalsContact NE2-CD1 3.35Å; H355-I592 WeakPolarHBondContact NE2-CD1 3.43Å; H355-I592 WeakPolarHBondContact NE2-CG1 3.26Å; M447-I592 WeakPolarHBondContact O-CG2 3.39Å; H532-I592 HydrophobicContact CB-CD1 4.17Å; H532-I592 VanDerWaalsContact O-CD1 3.24Å; H532-I592 WeakPolarHBondContact O-CD1 3.41Å; S534-I592 WeakPolarHBondContact OG-CG1 3.32Å; C535-I592 PolarHBondContact SG-N 3.19Å; C535-I592 VanDerWaalsContact SG-N 3.35Å; I592-L597 HydrophobicContact CD1-CD1 4.09Å; I592-L597 HydrophobicContact CD1-CD2 4.5Å; I592-L597 HydrophobicContact CG1-CD1 4.12Å; I592-L597 HydrophobicContact CG1-CD2 3.9Å
593	V	98.2	Very high	98.3	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.029	C	C	.	.			trans	-90.6	156	178.3	-60.8	0	0	0	0	111.2	D163 Y164 W167 H355 G595 L597 P600	D163-V593 HydrophobicContact CB-CB 4.06Å; D163-V593 HydrophobicContact CB-CG1 3.91Å; Y164-V593 HydrophobicContact CE1-CG1 4.02Å; W167-V593 HydrophobicContact CH2-CG1 4.07Å; W167-V593 HydrophobicContact CZ2-CG1 3.37Å; H355-V593 PolarHBondContact CE1-O 2.59Å; H355-V593 PolarHBondContact NE2-O 2.91Å; V593-G595 VanDerWaalsContact C-N 3.26Å; V593-G595 PolarHBondContact O-N 3.47Å; V593-L597 HydrophobicContact CG2-CD2 3.6Å; V593-P600 HydrophobicContact CG2-CB 4.23Å; V593-P600 HydrophobicContact CG2-CG 3.72Å
594	S	97	Very high	98.3	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.03	C	C	.	.	S	Bend	trans	-79.4	69.5	-172.1	-46.1	0	0	0	0	112.6	G159 D163 Q239 F406 R448	G159-S594 WeakPolarHBondContact CA-O 3.22Å; D163-S594 PolarHBondContact OD1-OG 2.8Å; D163-S594 VanDerWaalsContact OD1-OG 3.06Å; D163-S594 WeakPolarHBondContact OD2-CA 3.28Å; D163-S594 WeakPolarHBondContact OD2-CB 3.46Å; D163-S594 PolarHBondContact OD2-N 2.93Å; D163-S594 PolarHBondContact OD2-OG 3.33Å; Q239-S594 PolarHBondContact NE2-O 3.47Å; F406-S594 WeakPolarHBondContact CE1-O 3.35Å; R448-S594 WeakPolarHBondContact CD-OG 3.32Å; R448-S594 PolarHBondContact NH1-OG 3.29Å
595	G	96.2	Very high	98.3	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.03	C	C	.	.	S	Bend	trans	159.3	-172.3	179.3	0	0	0	0	0	113.4	H355 V593	H355-G595 PolarHBondContact CE1-O 3.11Å; V593-G595 VanDerWaalsContact C-N 3.26Å; V593-G595 PolarHBondContact O-N 3.47Å
596	N	97.6	Very high	98.3	Very high	20 Å²	20	4.7 Å²	4.7	11%	0.107	3%	0.028	C	C	.	.			trans	-66.7	143.8	-176.9	-49.7	54.9	0	0	0	111.6	I157 Q419 H421 P600	I157-N596 HydrophobicContact CB-CB 4.04Å; I157-N596 HydrophobicContact CG1-CB 4.44Å; I157-N596 WeakPolarHBondContact CG1-OD1 3.31Å; I157-N596 VanDerWaalsContact O-O 3.14Å; Q419-N596 PolarHBondContact NE2-OD1 3.19Å; H421-N596 PolarHBondContact NE2-ND2 3.32Å; H421-N596 PolarHBondContact NE2-OD1 3.43Å; N596-P600 VanDerWaalsContact O-CD 3.25Å; N596-P600 WeakPolarHBondContact O-CD 3.38Å
597	L	98.2	Very high	98.3	Very high	9 Å²	9	4.5 Å²	4.5	5%	0.047	3%	0.025	C	C	.	.	S	Bend	trans	-91.2	-8.6	-168	-58	-170.8	0	0	0	115.9	H532 M589 I592 V593 P600 V601	H532-L597 HydrophobicContact CB-CD1 3.73Å; H532-L597 HydrophobicContact CB-CG 3.81Å; H532-L597 WeakPolarHBondContact O-CD1 3.42Å; M589-L597 HydrophobicContact CE-CB 4.27Å; M589-L597 HydrophobicContact CE-CD1 4.42Å; M589-L597 HydrophobicContact CE-CD2 4.18Å; M589-L597 HydrophobicContact SD-CD1 4.23Å; M589-L597 HydrophobicContact SD-CD2 4.17Å; I592-L597 HydrophobicContact CD1-CD1 4.09Å; I592-L597 HydrophobicContact CD1-CD2 4.5Å; I592-L597 HydrophobicContact CG1-CD1 4.12Å; I592-L597 HydrophobicContact CG1-CD2 3.9Å; V593-L597 HydrophobicContact CG2-CD2 3.6Å; L597-P600 WeakPolarHBondContact O-CD 3.4Å; L597-V601 WeakPolarHBondContact O-CB 3.47Å; L597-V601 WeakPolarHBondContact O-CG2 3.4Å; L597-V601 PolarHBondContact O-N 2.84Å
598	N	98.6	Very high	98.3	Very high	22 Å²	22	4.6 Å²	4.6	12%	0.118	3%	0.026	C	C	.	.	H	α-helix	trans	-65.2	-45.3	-175.3	-174.1	55.9	0	0	0	112.8	S66 V601 I602	S66-N598 WeakPolarHBondContact CB-OD1 3.29Å; S66-N598 PolarHBondContact OG-OD1 3.19Å; N598-V601 PolarHBondContact O-N 2.87Å; N598-I602 WeakPolarHBondContact O-CG1 3.46Å; N598-I602 PolarHBondContact O-N 2.88Å
599	A	98.7	Very high	98.3	Very high	4 Å²	4	4.6 Å²	4.6	3%	0.033	3%	0.026	C	C	.	.	H	α-helix	trans	-67.7	-44.6	178.1	0	0	0	0	0	112.2	Y156 I157 R158 F184 V601 I602 M603	Y156-A599 HydrophobicContact CD2-CB 3.76Å; Y156-A599 HydrophobicContact CE1-CB 4.44Å; Y156-A599 HydrophobicContact CE2-CB 3.31Å; Y156-A599 HydrophobicContact CG-CB 4.48Å; I157-A599 WeakPolarHBondContact O-CB 3.38Å; R158-A599 HydrophobicContact CG-CB 4.45Å; F184-A599 HydrophobicContact CE1-CB 4.16Å; A599-V601 VanDerWaalsContact C-N 3.31Å; A599-V601 PolarHBondContact O-N 2.93Å; A599-I602 PolarHBondContact O-N 3.36Å; A599-M603 WeakPolarHBondContact O-CB 3.41Å; A599-M603 PolarHBondContact O-N 3.1Å
600	P	98.8	Very high	98.3	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-53.1	-44.2	170.8	-28	32.8	0	0	0	113.3	Y164 M589 V593 N596 L597 I602 M603 M604	Y164-P600 WeakPolarHBondContact OH-CG 3.27Å; M589-P600 HydrophobicContact CE-CB 3.85Å; V593-P600 HydrophobicContact CG2-CB 4.23Å; V593-P600 HydrophobicContact CG2-CG 3.72Å; N596-P600 VanDerWaalsContact O-CD 3.25Å; N596-P600 WeakPolarHBondContact O-CD 3.38Å; L597-P600 WeakPolarHBondContact O-CD 3.4Å; P600-I602 PolarHBondContact O-N 2.8Å; P600-M603 WeakPolarHBondContact O-CB 3.2Å; P600-M603 PolarHBondContact O-N 2.84Å; P600-M604 VanDerWaalsContact O-CG 3.3Å; P600-M604 WeakPolarHBondContact O-CG 3.41Å; P600-M604 PolarHBondContact O-N 2.85Å
601	V	98.9	Very high	98.4	Very high	13 Å²	13	5.9 Å²	5.9	8%	0.079	3%	0.032	C	C	.	.	H	α-helix	trans	-64.4	-41.3	178.1	172	0	0	0	0	112.6	A67 A586 M589 L597 N598 A599 M603 M604 A605	A67-V601 HydrophobicContact CB-CG1 3.8Å; A586-V601 HydrophobicContact CB-CG2 3.78Å; M589-V601 HydrophobicContact CE-CG2 3.79Å; L597-V601 WeakPolarHBondContact O-CB 3.47Å; L597-V601 WeakPolarHBondContact O-CG2 3.4Å; L597-V601 PolarHBondContact O-N 2.84Å; N598-V601 PolarHBondContact O-N 2.87Å; A599-V601 VanDerWaalsContact C-N 3.31Å; A599-V601 PolarHBondContact O-N 2.93Å; V601-M603 VanDerWaalsContact C-N 3.34Å; V601-M604 HydrophobicContact CB-CE 4.24Å; V601-M604 HydrophobicContact CG2-CE 3.77Å; V601-M604 PolarHBondContact O-N 3.29Å; V601-A605 WeakPolarHBondContact O-CB 3.44Å; V601-A605 PolarHBondContact O-N 2.99Å
602	I	98.9	Very high	98.5	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.005	3%	0.03	C	C	.	.	H	α-helix	trans	-64.3	-42.2	175.7	-70.4	171.4	0	0	0	110.4	V70 A187 L204 Y261 N598 A599 P600 A605 E606	V70-I602 HydrophobicContact CG2-CB 4.48Å; V70-I602 HydrophobicContact CG2-CG1 4.37Å; V70-I602 HydrophobicContact CG2-CG2 4Å; A187-I602 HydrophobicContact CB-CG2 3.76Å; L204-I602 HydrophobicContact CD1-CD1 4.21Å; L204-I602 HydrophobicContact CD2-CD1 3.77Å; Y261-I602 HydrophobicContact CE2-CG2 4.18Å; N598-I602 WeakPolarHBondContact O-CG1 3.46Å; N598-I602 PolarHBondContact O-N 2.88Å; A599-I602 PolarHBondContact O-N 3.36Å; P600-I602 PolarHBondContact O-N 2.8Å; I602-A605 PolarHBondContact O-N 3.48Å; I602-E606 WeakPolarHBondContact O-CG 3.32Å; I602-E606 PolarHBondContact O-N 3.11Å
603	M	98.8	Very high	98.5	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-60	-47.5	174.8	175.8	-76.6	-67.7	0	0	111.6	Y164 W167 W175 C180 F184 A599 P600 V601 A605 E606 K607	Y164-M603 HydrophobicContact CD1-CE 4.29Å; Y164-M603 HydrophobicContact CE1-CE 3.66Å; W167-M603 HydrophobicContact CZ3-CE 4.38Å; W175-M603 HydrophobicContact CZ3-SD 4.17Å; C180-M603 HydrophobicContact CB-CE 3.86Å; C180-M603 HydrophobicContact CB-CG 4.47Å; C180-M603 HydrophobicContact CB-SD 3.8Å; C180-M603 VanDerWaalsContact SG-CE 3.53Å; C180-M603 VanDerWaalsContact SG-SD 3.64Å; F184-M603 HydrophobicContact CD1-CB 3.74Å; F184-M603 HydrophobicContact CD1-CG 4.01Å; F184-M603 HydrophobicContact CD2-CB 4.44Å; F184-M603 HydrophobicContact CD2-CG 3.83Å; F184-M603 HydrophobicContact CE1-CB 3.55Å; F184-M603 HydrophobicContact CE1-CG 3.99Å; F184-M603 HydrophobicContact CE2-CB 4.28Å; F184-M603 HydrophobicContact CE2-CE 3.97Å; F184-M603 HydrophobicContact CE2-CG 3.81Å; F184-M603 HydrophobicContact CG-CB 4.18Å; F184-M603 HydrophobicContact CG-CG 3.92Å; F184-M603 HydrophobicContact CZ-CB 3.83Å; F184-M603 HydrophobicContact CZ-CE 3.94Å; F184-M603 HydrophobicContact CZ-CG 3.87Å; A599-M603 WeakPolarHBondContact O-CB 3.41Å; A599-M603 PolarHBondContact O-N 3.1Å; P600-M603 WeakPolarHBondContact O-CB 3.2Å; P600-M603 PolarHBondContact O-N 2.84Å; V601-M603 VanDerWaalsContact C-N 3.34Å; M603-A605 VanDerWaalsContact C-N 3.29Å; M603-A605 PolarHBondContact O-N 2.79Å; M603-E606 PolarHBondContact O-N 2.94Å; M603-K607 PolarHBondContact O-N 3.48Å; M603-K607 VanDerWaalsContact O-N 3.08Å
604	M	98.9	Very high	98.5	Very high	3 Å²	3	6.3 Å²	6.3	2%	0.015	4%	0.036	C	C	.	.	H	α-helix	trans	-59.6	-41.6	176.9	-69.3	-173.4	-59.5	0	0	111.7	W167 W175 D585 I588 M589 P600 V601 K607 A608	W167-M604 HydrophobicContact CH2-CG 4.44Å; W167-M604 HydrophobicContact CH2-SD 3.8Å; W167-M604 HydrophobicContact CZ3-CG 4.34Å; W167-M604 HydrophobicContact CZ3-SD 4.07Å; W175-M604 HydrophobicContact CE3-CG 4.41Å; W175-M604 HydrophobicContact CH2-CB 4.04Å; W175-M604 HydrophobicContact CH2-CG 4.13Å; W175-M604 HydrophobicContact CZ3-CB 3.94Å; W175-M604 HydrophobicContact CZ3-CG 3.61Å; D585-M604 VanDerWaalsContact O-CE 3.28Å; D585-M604 WeakPolarHBondContact O-CE 3.26Å; I588-M604 HydrophobicContact CD1-SD 4.27Å; I588-M604 HydrophobicContact CG1-SD 4.03Å; M589-M604 HydrophobicContact CE-CE 3.39Å; M589-M604 HydrophobicContact CE-SD 4.31Å; M589-M604 HydrophobicContact CG-CE 3.86Å; M589-M604 HydrophobicContact CG-SD 3.93Å; M589-M604 HydrophobicContact SD-CE 4.49Å; P600-M604 VanDerWaalsContact O-CG 3.3Å; P600-M604 WeakPolarHBondContact O-CG 3.41Å; P600-M604 PolarHBondContact O-N 2.85Å; V601-M604 HydrophobicContact CB-CE 4.24Å; V601-M604 HydrophobicContact CG2-CE 3.77Å; V601-M604 PolarHBondContact O-N 3.29Å; M604-K607 PolarHBondContact O-N 2.88Å; M604-A608 VanDerWaalsContact O-CB 3.24Å; M604-A608 WeakPolarHBondContact O-CB 3.13Å; M604-A608 PolarHBondContact O-N 3.44Å
605	A	99	Very high	98.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-70	-36.5	179.3	0	0	0	0	0	113.3	A67 V70 V584 V601 I602 M603 K607 A608 A609	A67-A605 HydrophobicContact CB-CB 3.81Å; V70-A605 HydrophobicContact CB-CB 3.72Å; V70-A605 HydrophobicContact CG1-CB 3.79Å; V70-A605 HydrophobicContact CG2-CB 4.28Å; V584-A605 HydrophobicContact CG1-CB 3.98Å; V601-A605 WeakPolarHBondContact O-CB 3.44Å; V601-A605 PolarHBondContact O-N 2.99Å; I602-A605 PolarHBondContact O-N 3.48Å; M603-A605 VanDerWaalsContact C-N 3.29Å; M603-A605 PolarHBondContact O-N 2.79Å; A605-K607 VanDerWaalsContact C-N 3.32Å; A605-K607 PolarHBondContact O-N 3.39Å; A605-A608 PolarHBondContact O-N 2.79Å; A605-A609 WeakPolarHBondContact O-CB 3.21Å; A605-A609 PolarHBondContact O-N 2.93Å
606	E	98.9	Very high	98.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.8	-41.3	173.5	-80	-76.8	-167.9	0	0	112	V70 R74 Y183 K186 A187 Y261 I602 M603 D610	V70-E606 HydrophobicContact CG1-CB 4.44Å; V70-E606 HydrophobicContact CG1-CG 3.84Å; R74-E606 IonicContact CZ-OE1 3.06Å; R74-E606 IonicContact CZ-OE2 3.33Å; R74-E606 IonicContact NE-OE1 3.17Å; R74-E606 PolarHBondContact NE-OE1 2.89Å; R74-E606 IonicContact NE-OE2 2.72Å; R74-E606 PolarHBondContact NE-OE2 2.85Å; R74-E606 IonicContact NH2-OE1 3.58Å; R74-E606 PolarHBondContact NH2-OE1 2.78Å; R74-E606 IonicContact NH2-OE2 3.68Å; R74-E606 PolarHBondContact NH2-OE2 2.93Å; Y183-E606 HydrophobicContact CD1-CB 3.75Å; Y183-E606 HydrophobicContact CE1-CB 4.5Å; Y183-E606 WeakPolarHBondContact CE1-O 3.49Å; K186-E606 HydrophobicContact CD-CB 4.5Å; K186-E606 WeakPolarHBondContact CD-OE2 3.24Å; K186-E606 VanDerWaalsContact CE-OE2 3.25Å; K186-E606 WeakPolarHBondContact CE-OE2 3.32Å; K186-E606 IonicContact NZ-OE2 3.84Å; K186-E606 PolarHBondContact NZ-OE2 3.19Å; A187-E606 HydrophobicContact CB-CG 4.13Å; Y261-E606 WeakPolarHBondContact CE1-OE1 3.38Å; Y261-E606 PolarHBondContact OH-OE1 3.23Å; Y261-E606 VanDerWaalsContact OH-OE1 3.11Å; I602-E606 WeakPolarHBondContact O-CG 3.32Å; I602-E606 PolarHBondContact O-N 3.11Å; M603-E606 PolarHBondContact O-N 2.94Å; E606-D610 PolarHBondContact O-N 2.9Å
607	K	98.8	Very high	98.5	Very high	10 Å²	10	13 Å²	13	4%	0.043	7%	0.073	C	C	.	.	H	α-helix	trans	-72	-45	176.6	-175.8	172.6	174.1	-161.1	0	112.4	G174 W175 Y183 M603 M604 A605 A609 D610 I611	G174-K607 PolarHBondContact O-NZ 2.95Å; W175-K607 HydrophobicContact CD2-CD 4.36Å; W175-K607 HydrophobicContact CE3-CD 4.05Å; W175-K607 HydrophobicContact CH2-CB 4.1Å; W175-K607 HydrophobicContact CH2-CD 3.83Å; W175-K607 HydrophobicContact CH2-CG 4.15Å; W175-K607 HydrophobicContact CZ2-CD 4.13Å; W175-K607 HydrophobicContact CZ2-CG 4.48Å; W175-K607 HydrophobicContact CZ3-CB 4.34Å; W175-K607 HydrophobicContact CZ3-CD 3.75Å; W175-K607 HydrophobicContact CZ3-CG 4.47Å; Y183-K607 HydrophobicContact CD1-CB 3.9Å; Y183-K607 HydrophobicContact CD2-CB 3.73Å; Y183-K607 HydrophobicContact CD2-CD 3.89Å; Y183-K607 HydrophobicContact CD2-CG 3.88Å; Y183-K607 VanDerWaalsContact CE1-CA 3.4Å; Y183-K607 HydrophobicContact CE1-CB 3.92Å; Y183-K607 HydrophobicContact CE1-CG 4.38Å; Y183-K607 HydrophobicContact CE2-CB 3.77Å; Y183-K607 HydrophobicContact CE2-CD 3.83Å; Y183-K607 HydrophobicContact CE2-CG 3.53Å; Y183-K607 HydrophobicContact CG-CB 3.79Å; Y183-K607 HydrophobicContact CG-CG 4.44Å; M603-K607 PolarHBondContact O-N 3.48Å; M603-K607 VanDerWaalsContact O-N 3.08Å; M604-K607 PolarHBondContact O-N 2.88Å; A605-K607 VanDerWaalsContact C-N 3.32Å; A605-K607 PolarHBondContact O-N 3.39Å; K607-A609 VanDerWaalsContact C-N 3.25Å; K607-A609 PolarHBondContact O-N 2.87Å; K607-D610 PolarHBondContact O-N 2.94Å; K607-D610 VanDerWaalsContact O-N 3.1Å; K607-I611 HydrophobicContact CG-CD1 4.15Å; K607-I611 WeakPolarHBondContact O-CG1 3.38Å; K607-I611 PolarHBondContact O-N 2.88Å
608	A	98.9	Very high	98.4	Very high	2 Å²	2	15.9 Å²	15.9	2%	0.017	11%	0.105	C	C	.	.	H	α-helix	trans	-59.6	-37.7	176.4	0	0	0	0	0	111.6	L71 V584 M604 A605 D610 I611 I612	L71-A608 HydrophobicContact CD2-CB 4.5Å; V584-A608 HydrophobicContact CB-CB 4.41Å; V584-A608 HydrophobicContact CG1-CB 3.69Å; V584-A608 HydrophobicContact CG2-CB 3.73Å; M604-A608 VanDerWaalsContact O-CB 3.24Å; M604-A608 WeakPolarHBondContact O-CB 3.13Å; M604-A608 PolarHBondContact O-N 3.44Å; A605-A608 PolarHBondContact O-N 2.79Å; A608-D610 PolarHBondContact O-N 3Å; A608-I611 WeakPolarHBondContact O-CB 3.11Å; A608-I611 PolarHBondContact O-N 2.83Å; A608-I612 WeakPolarHBondContact O-CD1 3.22Å; A608-I612 VanDerWaalsContact O-CG1 3.24Å; A608-I612 WeakPolarHBondContact O-CG1 3.37Å; A608-I612 PolarHBondContact O-N 3.19Å
609	A	98.9	Very high	98.3	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59	-45.2	173.5	0	0	0	0	0	112.2	L71 R74 A605 K607 I612 V613	L71-A609 HydrophobicContact CD2-CB 4.15Å; R74-A609 HydrophobicContact CB-CB 3.48Å; R74-A609 VanDerWaalsContact CB-CB 3.48Å; R74-A609 HydrophobicContact CG-CB 3.87Å; A605-A609 WeakPolarHBondContact O-CB 3.21Å; A605-A609 PolarHBondContact O-N 2.93Å; K607-A609 VanDerWaalsContact C-N 3.25Å; K607-A609 PolarHBondContact O-N 2.87Å; A609-I612 PolarHBondContact O-N 2.89Å; A609-V613 WeakPolarHBondContact O-CB 3.44Å; A609-V613 VanDerWaalsContact O-CG2 3.31Å; A609-V613 WeakPolarHBondContact O-CG2 3.47Å; A609-V613 PolarHBondContact O-N 2.9Å
610	D	98.8	Very high	98.2	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.011	14%	0.143	C	C	.	.	H	α-helix	trans	-67.6	-35.1	177.5	-74.9	-1	0	0	0	112.2	Y183 K186 E606 K607 A608 S614 V621 V622	Y183-D610 HydrophobicContact CE1-CB 4.35Å; Y183-D610 WeakPolarHBondContact CE1-OD2 3.47Å; Y183-D610 WeakPolarHBondContact OH-CB 3.18Å; Y183-D610 PolarHBondContact OH-OD2 3.44Å; K186-D610 IonicContact NZ-OD1 3.82Å; K186-D610 PolarHBondContact NZ-OD1 2.96Å; K186-D610 IonicContact NZ-OD2 3.72Å; K186-D610 PolarHBondContact NZ-OD2 2.97Å; E606-D610 PolarHBondContact O-N 2.9Å; K607-D610 PolarHBondContact O-N 2.94Å; K607-D610 VanDerWaalsContact O-N 3.1Å; A608-D610 PolarHBondContact O-N 3Å; D610-S614 VanDerWaalsContact O-CB 3.25Å; D610-S614 WeakPolarHBondContact O-CB 3.5Å; D610-S614 PolarHBondContact O-N 2.78Å; D610-S614 PolarHBondContact O-OG 2.66Å; D610-V621 HydrophobicContact CB-CG2 3.9Å; D610-V621 VanDerWaalsContact O-CG2 3.31Å; D610-V621 WeakPolarHBondContact O-CG2 3.45Å; D610-V622 HydrophobicContact CB-CG2 4.22Å
611	I	98.7	Very high	98.1	Very high	27 Å²	27	22 Å²	22	14%	0.138	15%	0.146	C	C	.	.	H	α-helix	trans	-61.1	-47.4	172.6	-69.6	167.6	0	0	0	110.3	W175 D572 K607 A608 S614 S615 V622	W175-I611 HydrophobicContact CZ2-CD1 4.4Å; D572-I611 HydrophobicContact CB-CG2 3.89Å; K607-I611 HydrophobicContact CG-CD1 4.15Å; K607-I611 WeakPolarHBondContact O-CG1 3.38Å; K607-I611 PolarHBondContact O-N 2.88Å; A608-I611 WeakPolarHBondContact O-CB 3.11Å; A608-I611 PolarHBondContact O-N 2.83Å; I611-S614 PolarHBondContact O-N 2.65Å; I611-S615 PolarHBondContact O-N 3.48Å; I611-V622 HydrophobicContact CG1-CG2 4.02Å
612	I	98.7	Very high	98.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.1	-48.1	179.5	-67.6	161.2	0	0	0	110.5	Y59 L71 L75 I311 A608 A609 S614 S615 R616	Y59-I612 HydrophobicContact CE1-CG2 3.69Å; Y59-I612 HydrophobicContact CE2-CG2 4.28Å; Y59-I612 WeakPolarHBondContact OH-CG2 2.96Å; L71-I612 HydrophobicContact CD2-CD1 4.02Å; L75-I612 HydrophobicContact CD1-CD1 4.46Å; L75-I612 HydrophobicContact CD1-CG2 4.36Å; L75-I612 HydrophobicContact CD2-CB 4.16Å; L75-I612 HydrophobicContact CD2-CG2 3.72Å; I311-I612 HydrophobicContact CD1-CD1 3.75Å; A608-I612 WeakPolarHBondContact O-CD1 3.22Å; A608-I612 VanDerWaalsContact O-CG1 3.24Å; A608-I612 WeakPolarHBondContact O-CG1 3.37Å; A608-I612 PolarHBondContact O-N 3.19Å; A609-I612 PolarHBondContact O-N 2.89Å; I612-S614 VanDerWaalsContact C-N 3.3Å; I612-S614 PolarHBondContact O-N 3.33Å; I612-S615 PolarHBondContact O-N 3.22Å; I612-R616 WeakPolarHBondContact O-CB 3.45Å; I612-R616 PolarHBondContact O-N 3.28Å
613	V	98.6	Very high	98	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-60.2	-41.3	176.9	170.1	0	0	0	0	111	L75 H79 A609 S615 R616 D617 V621	L75-V613 HydrophobicContact CD2-CG2 3.92Å; H79-V613 HydrophobicContact CB-CG1 4.36Å; A609-V613 WeakPolarHBondContact O-CB 3.44Å; A609-V613 VanDerWaalsContact O-CG2 3.31Å; A609-V613 WeakPolarHBondContact O-CG2 3.47Å; A609-V613 PolarHBondContact O-N 2.9Å; V613-S615 VanDerWaalsContact C-N 3.33Å; V613-S615 PolarHBondContact O-N 3.09Å; V613-R616 PolarHBondContact O-N 2.94Å; V613-D617 WeakPolarHBondContact CG1-OD2 3.32Å; V613-D617 WeakPolarHBondContact O-CB 3.5Å; V613-D617 PolarHBondContact O-N 2.9Å; V613-V621 HydrophobicContact CB-CG2 3.86Å; V613-V621 HydrophobicContact CG1-CG1 4.21Å; V613-V621 HydrophobicContact CG1-CG2 3.64Å
614	S	98.5	Very high	98	Very high	19 Å²	19	31.4 Å²	31.4	13%	0.133	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-42.1	177.3	-58.5	0	0	0	0	112	D610 I611 I612 G618 V619 V621	D610-S614 VanDerWaalsContact O-CB 3.25Å; D610-S614 WeakPolarHBondContact O-CB 3.5Å; D610-S614 PolarHBondContact O-N 2.78Å; D610-S614 PolarHBondContact O-OG 2.66Å; I611-S614 PolarHBondContact O-N 2.65Å; I612-S614 VanDerWaalsContact C-N 3.3Å; I612-S614 PolarHBondContact O-N 3.33Å; S614-G618 WeakPolarHBondContact O-CA 3.49Å; S614-G618 PolarHBondContact O-N 2.8Å; S614-V619 WeakPolarHBondContact CA-O 3.26Å; S614-V619 PolarHBondContact O-N 3.4Å; S614-V621 WeakPolarHBondContact OG-CG2 3.4Å; S614-V621 PolarHBondContact OG-N 3.06Å
615	S	97.3	Very high	97.9	Very high	74 Å²	74	32.9 Å²	32.9	52%	0.517	22%	0.215	S	C	.	.	H	α-helix	trans	-67.4	-38.9	176.7	-171.7	0	0	0	0	112.4	I611 I612 V613	I611-S615 PolarHBondContact O-N 3.48Å; I612-S615 PolarHBondContact O-N 3.22Å; V613-S615 VanDerWaalsContact C-N 3.33Å; V613-S615 PolarHBondContact O-N 3.09Å
616	R	96.5	Very high	97.7	Very high	53 Å²	53	34.1 Å²	34.1	20%	0.2	22%	0.222	C	C	.	.	H	α-helix	trans	-67.9	-47.4	179	-175.9	-164.1	67.4	-163.8	-5.4	111.8	E58 N84 S86 I612 V613	E58-R616 WeakPolarHBondContact OE1-CD 3.22Å; E58-R616 WeakPolarHBondContact OE1-CG 3.38Å; N84-R616 PolarHBondContact O-NH2 2.65Å; S86-R616 WeakPolarHBondContact OG-CD 3.3Å; S86-R616 PolarHBondContact OG-NH1 3.26Å; I612-R616 WeakPolarHBondContact O-CB 3.45Å; I612-R616 PolarHBondContact O-N 3.28Å; V613-R616 PolarHBondContact O-N 2.94Å
617	D	97	Very high	97.3	Very high	32 Å²	32	41.1 Å²	41.1	17%	0.171	26%	0.259	C	S	.	.	H	α-helix	trans	-91.8	-8.7	-170.4	-66	-20.4	0	0	0	113.4	T82 N84 V613 V619	T82-D617 WeakPolarHBondContact CB-OD2 3.39Å; T82-D617 HydrophobicContact CG2-CB 4.08Å; T82-D617 WeakPolarHBondContact CG2-OD2 2.89Å; T82-D617 PolarHBondContact OG1-OD2 3.28Å; N84-D617 PolarHBondContact ND2-OD1 2.81Å; V613-D617 WeakPolarHBondContact CG1-OD2 3.32Å; V613-D617 WeakPolarHBondContact O-CB 3.5Å; V613-D617 PolarHBondContact O-N 2.9Å; D617-V619 PolarHBondContact O-N 2.73Å
618	G	95.8	Very high	96.7	Very high	70 Å²	70	47.1 Å²	47.1	72%	0.722	29%	0.291	S	S	*	.	S	Bend	trans	67.2	12.6	-175.6	0	0	0	0	0	114.1	S614	S614-G618 WeakPolarHBondContact O-CA 3.49Å; S614-G618 PolarHBondContact O-N 2.8Å
619	V	95.9	Very high	96.1	Very high	68 Å²	68	49.1 Å²	49.1	41%	0.412	30%	0.302	S	S	.	.	S	Bend	trans	-128.7	122.4	-178.3	177.1	0	0	0	0	108.9	T82 S614 D617 V621	T82-V619 HydrophobicContact CG2-CB 4.45Å; S614-V619 WeakPolarHBondContact CA-O 3.26Å; S614-V619 PolarHBondContact O-N 3.4Å; D617-V619 PolarHBondContact O-N 2.73Å; V619-V621 PolarHBondContact O-N 3.48Å
620	S	96.7	Very high	95.5	Very high	76 Å²	76	51.8 Å²	51.8	53%	0.531	32%	0.32	S	S	.	.			trans	-63	123.8	178.3	-174.8	0	0	0	0	111.7	K81	K81-S620 PolarHBondContact NZ-O 2.93Å
621	V	98.1	Very high	95	Very high	11 Å²	11	55 Å²	55	7%	0.067	33%	0.333	C	S	.	.			trans	-115.2	1.6	170.4	-55	0	0	0	0	112.1	H79 K81 T82 D610 V613 S614 V619 L623	H79-V621 VanDerWaalsContact CE1-CG1 3.46Å; H79-V621 WeakPolarHBondContact CE1-CG1 3.39Å; K81-V621 HydrophobicContact CB-CG1 4.44Å; K81-V621 HydrophobicContact CD-CG1 4.16Å; T82-V621 HydrophobicContact CG2-CG1 3.85Å; D610-V621 HydrophobicContact CB-CG2 3.9Å; D610-V621 VanDerWaalsContact O-CG2 3.31Å; D610-V621 WeakPolarHBondContact O-CG2 3.45Å; V613-V621 HydrophobicContact CB-CG2 3.86Å; V613-V621 HydrophobicContact CG1-CG1 4.21Å; V613-V621 HydrophobicContact CG1-CG2 3.64Å; S614-V621 WeakPolarHBondContact OG-CG2 3.4Å; S614-V621 PolarHBondContact OG-N 3.06Å; V619-V621 PolarHBondContact O-N 3.48Å; V621-L623 PolarHBondContact O-N 3.18Å
622	V	98.3	Very high	94.7	Very high	49 Å²	49	55.9 Å²	55.9	30%	0.297	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-61.4	133.3	175.1	178.5	0	0	0	0	109.6	Y183 D610 I611	Y183-V622 WeakPolarHBondContact OH-CA 3.37Å; D610-V622 HydrophobicContact CB-CG2 4.22Å; I611-V622 HydrophobicContact CG1-CG2 4.02Å
623	L	97.9	Very high	94.3	Very high	57 Å²	57	63.1 Å²	63.1	30%	0.298	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-68.8	140.8	179.6	-63.2	-177.7	0	0	0	110.5	P182 Y183 K186 V621	P182-L623 HydrophobicContact CB-CB 3.9Å; P182-L623 HydrophobicContact CB-CD1 3.79Å; Y183-L623 HydrophobicContact CD1-CD1 4.25Å; Y183-L623 HydrophobicContact CE1-CD1 4.07Å; Y183-L623 HydrophobicContact CE1-CG 4.14Å; Y183-L623 HydrophobicContact CE2-CB 3.97Å; Y183-L623 HydrophobicContact CE2-CD1 4.5Å; Y183-L623 HydrophobicContact CE2-CG 4.35Å; Y183-L623 PolarHBondContact OH-N 2.82Å; K186-L623 HydrophobicContact CB-CD1 4.29Å; K186-L623 HydrophobicContact CD-CD1 4.1Å; V621-L623 PolarHBondContact O-N 3.18Å
624	P	97.2	Very high	93.9	Very high	106 Å²	106	64.1 Å²	64.1	69%	0.688	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-66.2	148.4	175.8	29.3	-34.8	0	0	0	110.7	P182	P182-P624 WeakPolarHBondContact CG-O 3.4Å
625	A	97.1	Very high	93.5	Very high	33 Å²	33	70.5 Å²	70.5	27%	0.273	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-58	140	172	0	0	0	0	0	110.8	A178 L627	A178-A625 HydrophobicContact CB-CB 4.18Å; A178-A625 CarbonylContact O-C 3.6Å; A178-A625 WeakPolarHBondContact O-CA 3.44Å; A625-L627 HydrophobicContact CB-CD2 4.16Å; A625-L627 PolarHBondContact O-N 3.18Å
626	D	95.2	Very high	93.3	Very high	27 Å²	27	70.3 Å²	70.3	14%	0.144	39%	0.391	C	S	.	.			trans	-83.6	106	168.5	-162.7	-26.2	0	0	0	108.3	A178 P182 R185 N628 L629	A178-D626 VanDerWaalsContact CB-O 3.24Å; A178-D626 WeakPolarHBondContact CB-O 3.37Å; A178-D626 PolarHBondContact O-N 2.76Å; P182-D626 HydrophobicContact CG-CB 4.34Å; R185-D626 IonicContact CZ-OD2 3.95Å; R185-D626 IonicContact NH1-OD2 2.92Å; R185-D626 PolarHBondContact NH1-OD2 3.22Å; R185-D626 IonicContact NH2-OD2 2.99Å; R185-D626 PolarHBondContact NH2-OD2 2.91Å; D626-N628 PolarHBondContact OD1-N 2.95Å; D626-N628 VanDerWaalsContact OD1-N 3.16Å; D626-L629 HydrophobicContact CB-CD1 4.3Å; D626-L629 HydrophobicContact CB-CD2 3.96Å; D626-L629 HydrophobicContact CB-CG 4.18Å; D626-L629 WeakPolarHBondContact O-CD1 3.42Å; D626-L629 WeakPolarHBondContact O-CG 3.49Å
627	L	90.7	Very high	93	Very high	146 Å²	146	71.6 Å²	71.6	76%	0.764	41%	0.406	S	S	*	.			trans	-87.4	-12.9	-179.6	-59.1	-179.5	0	0	0	112.5	A625 L629	A625-L627 HydrophobicContact CB-CD2 4.16Å; A625-L627 PolarHBondContact O-N 3.18Å; L627-L629 VanDerWaalsContact C-N 3.26Å; L627-L629 PolarHBondContact O-N 2.86Å; L627-L629 VanDerWaalsContact O-N 3.17Å
628	N	86.7	Confident	92.8	Very high	136 Å²	136	75.6 Å²	75.6	73%	0.727	43%	0.428	S	S	*	.	S	Bend	trans	-92.8	59.1	-179.3	-71.2	-26.5	0	0	0	109.8	Q196 D626	Q196-N628 PolarHBondContact NE2-O 2.79Å; D626-N628 PolarHBondContact OD1-N 2.95Å; D626-N628 VanDerWaalsContact OD1-N 3.16Å
629	L	84.9	Confident	92.7	Very high	45 Å²	45	76.9 Å²	76.9	24%	0.236	41%	0.413	C	S	.	.			trans	-109.7	135.1	-177.3	-60.7	-178.4	0	0	0	111.8	Y177 A178 L181 D626 L627	Y177-L629 HydrophobicContact CD1-CD1 3.78Å; Y177-L629 HydrophobicContact CE1-CD1 4.12Å; A178-L629 HydrophobicContact CB-CD1 4Å; L181-L629 HydrophobicContact CD2-CD1 4.26Å; L181-L629 HydrophobicContact CD2-CD2 3.32Å; L181-L629 HydrophobicContact CD2-CG 4.45Å; D626-L629 HydrophobicContact CB-CD1 4.3Å; D626-L629 HydrophobicContact CB-CD2 3.96Å; D626-L629 HydrophobicContact CB-CG 4.18Å; D626-L629 WeakPolarHBondContact O-CD1 3.42Å; D626-L629 WeakPolarHBondContact O-CG 3.49Å; L627-L629 VanDerWaalsContact C-N 3.26Å; L627-L629 PolarHBondContact O-N 2.86Å; L627-L629 VanDerWaalsContact O-N 3.17Å
630	S	87.5	Confident	92.6	Very high	56 Å²	56	75 Å²	75	39%	0.392	40%	0.4	S	S	.	.			trans	-122.7	149.3	160.7	63.9	0	0	0	0	108.1	Y197 Y237	Y197-S630 PolarHBondContact OH-O 2.86Å; Y237-S630 WeakPolarHBondContact CE2-OG 3.49Å
631	Y	87.5	Confident	92.5	Very high	68 Å²	68	72.8 Å²	72.8	27%	0.267	38%	0.38	S	S	.	.			trans	-136	149.9	164.6	47	-99	0	0	0	107	P161 L162 Y237	P161-Y631 HydrophobicContact CB-CD1 3.76Å; P161-Y631 HydrophobicContact CB-CE1 4.04Å; P161-Y631 HydrophobicContact CB-CG 4.14Å; P161-Y631 HydrophobicContact CG-CD1 4.07Å; P161-Y631 HydrophobicContact CG-CG 4.09Å; L162-Y631 HydrophobicContact CD2-CE2 3.96Å; L162-Y631 VanDerWaalsContact CD2-OH 3.24Å; L162-Y631 WeakPolarHBondContact CD2-OH 3.12Å; L162-Y631 HydrophobicContact CG-CE2 4.43Å; Y237-Y631 CarbonylContact O-C 3.46Å; Y237-Y631 WeakPolarHBondContact O-CA 3.44Å
632	W	93	Very high	92.2	Very high	47 Å²	47	74 Å²	74	18%	0.178	39%	0.386	C	S	.	.			trans	-60.2	144.1	-176.2	-178.4	93.8	0	0	0	111	P229 Y237 Q238 E240 P634	P229-W632 HydrophobicContact CG-CH2 4.1Å; P229-W632 HydrophobicContact CG-CZ2 4.21Å; Y237-W632 HydrophobicContact CD1-CB 3.97Å; Y237-W632 HydrophobicContact CE1-CB 3.66Å; Y237-W632 AromaticContact CE1-CD1 3.79Å; Y237-W632 HydrophobicContact CE1-CG 4.15Å; Y237-W632 HydrophobicContact CE2-CB 4.4Å; Y237-W632 HydrophobicContact CG-CB 4.48Å; Y237-W632 PolarHBondContact O-N 2.89Å; Q238-W632 HydrophobicContact CB-CB 3.56Å; Q238-W632 HydrophobicContact CB-CG 3.94Å; Q238-W632 HydrophobicContact CG-CB 3.68Å; Q238-W632 HydrophobicContact CG-CD2 3.72Å; Q238-W632 HydrophobicContact CG-CE3 4.05Å; Q238-W632 HydrophobicContact CG-CG 3.57Å; Q238-W632 VanDerWaalsContact OE1-CD1 3.28Å; E240-W632 HydrophobicContact CB-CE3 4.12Å; E240-W632 HydrophobicContact CB-CH2 4.49Å; E240-W632 HydrophobicContact CB-CZ3 3.68Å; E240-W632 HydrophobicContact CG-CH2 4.42Å; E240-W632 HydrophobicContact CG-CZ3 3.95Å; W632-P634 HydrophobicContact CH2-CB 3.69Å; W632-P634 HydrophobicContact CZ2-CB 4.49Å; W632-P634 HydrophobicContact CZ3-CB 3.95Å; W632-P634 HydrophobicContact CZ3-CG 4.4Å; W632-P634 VanDerWaalsContact CZ3-N 3.33Å
633	K	89.4	Confident	92.1	Very high	151 Å²	151	73.1 Å²	73.1	66%	0.657	39%	0.387	S	S	*	.			trans	-124.8	144.8	170.6	-65.3	-176.1	-179.7	-178.4	0	108.5
634	P	90.1	Very high	91.9	Very high	22 Å²	22	77.7 Å²	77.7	14%	0.143	41%	0.41	C	S	.	.			trans	-58.9	144.6	174.4	25.8	-34.1	0	0	0	110.8	W632 H636 P637	W632-P634 HydrophobicContact CH2-CB 3.69Å; W632-P634 HydrophobicContact CZ2-CB 4.49Å; W632-P634 HydrophobicContact CZ3-CB 3.95Å; W632-P634 HydrophobicContact CZ3-CG 4.4Å; W632-P634 VanDerWaalsContact CZ3-N 3.33Å; P634-H636 PolarHBondContact O-N 3.04Å; P634-P637 HydrophobicContact CG-CB 4.07Å
635	Q	91.4	Very high	91.8	Very high	153 Å²	153	74.2 Å²	74.2	72%	0.715	39%	0.388	S	S	*	.	S	Bend	trans	-66.2	-32.2	174.5	-64.1	-176.8	-3.1	0	0	110.7	D642	Q635-D642 PolarHBondContact N-OD1 3.02Å; Q635-D642 PolarHBondContact N-OD2 3.21Å
636	H	92.1	Very high	91.8	Very high	71 Å²	71	78.3 Å²	78.3	33%	0.329	41%	0.405	S	S	.	.			trans	-122.4	80.8	177.3	-58.6	-58.4	0	0	0	110.1	P634 D638 K639 D642	P634-H636 PolarHBondContact O-N 3.04Å; H636-D638 PolarHBondContact O-N 3.18Å; H636-K639 HydrophobicContact CB-CB 4Å; H636-K639 HydrophobicContact CB-CD 3.68Å; H636-K639 HydrophobicContact CB-CG 3.87Å; H636-K639 PolarHBondContact O-N 2.8Å; H636-D642 IonicContact CD2-OD1 3.98Å; H636-D642 IonicContact CG-OD1 3.42Å; H636-D642 PolarHBondContact N-OD1 2.91Å
637	P	89.7	Confident	91.6	Very high	79 Å²	79	79.1 Å²	79.1	51%	0.513	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.7	-179.3	25.1	-33.7	0	0	0	113.1	R408 P634 K639	R408-P637 PolarHBondContact NH1-O 3.2Å; P634-P637 HydrophobicContact CG-CB 4.07Å; P637-K639 PolarHBondContact O-N 2.91Å
638	D	92.8	Very high	91.1	Very high	117 Å²	117	74.1 Å²	74.1	63%	0.626	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-3.4	174.9	63.7	-53.2	0	0	0	114	A411 H636	A411-D638 VanDerWaalsContact CB-O 3.23Å; A411-D638 WeakPolarHBondContact CB-O 3.42Å; H636-D638 PolarHBondContact O-N 3.18Å
639	K	94	Very high	90	Very high	96 Å²	96	70 Å²	70	42%	0.417	36%	0.364	S	S	.	.	S	Bend	trans	-112.1	156.4	172.6	-61.8	-178.9	-172.8	166.9	0	110.2	R408 H636 P637 R641	R408-K639 VanDerWaalsContact CZ-O 3.24Å; R408-K639 PolarHBondContact NH1-O 3.03Å; R408-K639 VanDerWaalsContact NH1-O 3.16Å; R408-K639 PolarHBondContact NH2-O 3.3Å; H636-K639 HydrophobicContact CB-CB 4Å; H636-K639 HydrophobicContact CB-CD 3.68Å; H636-K639 HydrophobicContact CB-CG 3.87Å; H636-K639 PolarHBondContact O-N 2.8Å; P637-K639 PolarHBondContact O-N 2.91Å; K639-R641 VanDerWaalsContact C-N 3.31Å; K639-R641 WeakPolarHBondContact CB-O 3.34Å; K639-R641 PolarHBondContact O-N 2.59Å
640	Q	94.2	Very high	88.5	Confident	29 Å²	29	76.8 Å²	76.8	14%	0.136	39%	0.394	C	S	.	.	S	Bend	trans	-69.9	-28.8	175.8	179.1	-90	-9.2	0	0	112.4	Y228 R408	Y228-Q640 PolarHBondContact OH-NE2 3.01Å; R408-Q640 PolarHBondContact NH2-O 3.4Å; R408-Q640 WeakPolarHBondContact O-CG 3.42Å; R408-Q640 PolarHBondContact O-NE2 3.07Å
641	R	95	Very high	86	Confident	29 Å²	29	80.9 Å²	80.9	11%	0.109	41%	0.41	C	S	.	.			trans	-151.8	158.8	173.7	74.3	-169.6	90.8	176.3	7.5	110.1	A226 Y228 E491 K639 G643	A226-R641 WeakPolarHBondContact O-CD 3.08Å; A226-R641 PolarHBondContact O-NH1 2.8Å; Y228-R641 HydrophobicContact CD1-CB 3.73Å; Y228-R641 HydrophobicContact CD1-CG 4.45Å; Y228-R641 HydrophobicContact CE1-CB 3.76Å; Y228-R641 HydrophobicContact CE1-CG 4.32Å; Y228-R641 PolarHBondContact OH-NH1 2.8Å; Y228-R641 VanDerWaalsContact OH-NH1 3.12Å; Y228-R641 PolarHBondContact OH-NH2 2.78Å; Y228-R641 VanDerWaalsContact OH-NH2 3.1Å; E491-R641 IonicContact OE1-CZ 3.39Å; E491-R641 IonicContact OE1-NH1 3.21Å; E491-R641 PolarHBondContact OE1-NH1 3.34Å; E491-R641 IonicContact OE1-NH2 2.89Å; E491-R641 PolarHBondContact OE1-NH2 3.15Å; K639-R641 VanDerWaalsContact C-N 3.31Å; K639-R641 WeakPolarHBondContact CB-O 3.34Å; K639-R641 PolarHBondContact O-N 2.59Å; R641-G643 WeakPolarHBondContact CG-O 3.38Å
642	D	92.4	Very high	83.6	Confident	36 Å²	36	84.5 Å²	84.5	19%	0.193	43%	0.433	C	S	.	.	S	Bend	trans	-78.5	-34.3	-177	-71.4	-25.5	0	0	0	113.2	Q635 H636	Q635-D642 PolarHBondContact N-OD1 3.02Å; Q635-D642 PolarHBondContact N-OD2 3.21Å; H636-D642 IonicContact CD2-OD1 3.98Å; H636-D642 IonicContact CG-OD1 3.42Å; H636-D642 PolarHBondContact N-OD1 2.91Å
643	G	94.5	Very high	83.1	Confident	32 Å²	32	86.4 Å²	86.4	33%	0.33	45%	0.446	S	S	.	.	S	Bend	trans	-91.4	167.9	-177.9	0	0	0	0	0	114.4	G227 R641	G227-G643 VanDerWaalsContact O-CA 3.26Å; G227-G643 WeakPolarHBondContact O-CA 3.45Å; G227-G643 PolarHBondContact O-N 2.97Å; R641-G643 WeakPolarHBondContact CG-O 3.38Å
644	I	94.5	Very high	82.8	Confident	153 Å²	153	83 Å²	83	79%	0.785	44%	0.435	S	S	*	.			trans	-104.2	130.3	176.5	-59	173.7	0	0	0	108.6
645	P	96	Very high	82.4	Confident	32 Å²	32	86.4 Å²	86.4	21%	0.208	45%	0.451	C	S	.	.			trans	-65.4	136.8	177.5	26.7	-33.8	0	0	0	111.4	Q225 V647	Q225-P645 CarbonylContact O-C 3.53Å; Q225-P645 VanDerWaalsContact O-CA 3.31Å; Q225-P645 WeakPolarHBondContact O-CA 3.45Å; P645-V647 VanDerWaalsContact C-N 3.27Å; P645-V647 PolarHBondContact O-N 2.61Å
646	L	96.4	Very high	81.9	Confident	120 Å²	120	82.5 Å²	82.5	63%	0.628	44%	0.436	S	S	*	.	S	Bend	trans	-66.2	-32.9	175.2	-63.2	-175.2	0	0	0	112.1	Q225	Q225-L646 HydrophobicContact CB-CD1 3.94Å; Q225-L646 HydrophobicContact CB-CG 4.25Å; Q225-L646 HydrophobicContact CG-CD1 3.73Å; Q225-L646 PolarHBondContact O-N 2.83Å
647	V	91.3	Very high	81.2	Confident	43 Å²	43	83.2 Å²	83.2	26%	0.261	44%	0.442	S	S	.	.	S	Bend	trans	-124.2	111.6	172.2	-177.4	0	0	0	0	107.6	Q495 P496 P645	Q495-V647 PolarHBondContact NE2-O 3.12Å; P496-V647 HydrophobicContact CG-CG2 4.5Å; P645-V647 VanDerWaalsContact C-N 3.27Å; P645-V647 PolarHBondContact O-N 2.61Å
648	S	79.1	Confident	80.7	Confident	41 Å²	41	83.5 Å²	83.5	29%	0.287	44%	0.438	S	S	.	.			trans	-88.8	148.7	178.5	61.5	0	0	0	0	112	H650 L651	S648-H650 PolarHBondContact O-N 3.03Å; S648-H650 VanDerWaalsContact O-N 3.08Å; S648-L651 PolarHBondContact O-N 3.01Å
649	H	65	Low	79.8	Confident	51 Å²	51	81.1 Å²	81.1	24%	0.236	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-52.1	-30.3	177	-121	-66	0	0	0	115.1	R487 E491 L651 I652	R487-H649 PolarHBondContact O-CD2 3.45Å; R487-H649 PolarHBondContact O-NE2 3.06Å; E491-H649 IonicContact OE2-CD2 3.95Å; H649-L651 PolarHBondContact O-N 3.33Å; H649-I652 PolarHBondContact O-N 3.43Å; H649-I652 VanDerWaalsContact O-OXT 3.06Å
650	H	52.4	Low	78.7	Confident	186 Å²	186	79.9 Å²	79.9	86%	0.861	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-62.4	-7.6	177.6	-66.9	-49.7	0	0	0	114.6	S648	S648-H650 PolarHBondContact O-N 3.03Å; S648-H650 VanDerWaalsContact O-N 3.08Å
651	L	35.3	Very low	77.4	Confident	142 Å²	142	84.2 Å²	84.2	74%	0.743	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-104.5	4.2	177.4	-69.6	164.8	0	0	0	113.9	S648 H649	S648-L651 PolarHBondContact O-N 3.01Å; H649-L651 PolarHBondContact O-N 3.33Å
652	I	37.5	Very low	75.8	Confident	145 Å²	145	89.2 Å²	89.2	74%	0.744	48%	0.48	S	S	*	.			trans	-122	0	176.7	-53.2	174.9	0	0	0	108.2	A494 H649	A494-I652 HydrophobicContact CB-CD1 3.34Å; H649-I652 PolarHBondContact O-N 3.43Å; H649-I652 VanDerWaalsContact O-OXT 3.06Å

Retrieved 652 of 652 residues in 829.1 ms (Link to these results)

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