A0A096N3R6_PAPAN Loading...

Adenosylhomocysteinase like 2

AlphaFold DB (H2QVC8), UniProt , Accession A0A096N3R6, Species PAPAN (Papio anubis, Olive baboon), Gene AHCYL2, Length 508 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	37.9	Very low	29.1	Very low	254 Å²	254	158.9 Å²	158.9	100%	1.251	86%	0.855	S	S	*	*				0	77.5	0	-159.2	174.4	-169	0	0	106.4
2	E	28.1	Very low	29.8	Very low	188 Å²	188	153.4 Å²	153.4	88%	0.879	85%	0.848	S	S	*	*			trans	-129.8	123.4	167.8	-87.2	179.7	152.8	0	0	104.4	W4	E2-W4 PolarHBondContact O-N 2.75Å
3	K	26	Very low	31	Very low	187 Å²	187	145.4 Å²	145.4	81%	0.813	80%	0.799	S	S	*	*			trans	-69.5	115.5	-175.7	-74.8	178.1	174.3	-179	0	108.5	D5	K3-D5 PolarHBondContact O-N 3.16Å
4	W	25.1	Very low	32.3	Very low	255 Å²	255	147.2 Å²	147.2	97%	0.966	80%	0.798	S	S	*	*			trans	-73.5	100.3	154.6	-97.4	30.1	0	0	0	107	E2 G6	E2-W4 PolarHBondContact O-N 2.75Å; W4-G6 VanDerWaalsContact C-N 3.28Å; W4-G6 PolarHBondContact O-N 3.41Å
5	D	26.1	Very low	33.8	Very low	141 Å²	141	139.7 Å²	139.7	75%	0.754	76%	0.757	S	S	*	*			trans	-70.4	91.3	167.6	-74.5	-30.5	0	0	0	108	K3 N7	K3-D5 PolarHBondContact O-N 3.16Å; D5-N7 VanDerWaalsContact C-N 3.27Å; D5-N7 PolarHBondContact O-N 3.27Å
6	G	29	Very low	35.3	Very low	78 Å²	78	133.4 Å²	133.4	80%	0.804	73%	0.725	S	S	*	*			trans	-70.7	83.4	169.3	0	0	0	0	0	109.9	W4	W4-G6 VanDerWaalsContact C-N 3.28Å; W4-G6 PolarHBondContact O-N 3.41Å
7	N	27.7	Very low	36.4	Very low	154 Å²	154	134.1 Å²	134.1	82%	0.824	72%	0.722	S	S	*	*			trans	-156.4	58.6	163.7	-140.9	15.7	0	0	0	110.9	D5	D5-N7 VanDerWaalsContact C-N 3.27Å; D5-N7 PolarHBondContact O-N 3.27Å
8	E	29.5	Very low	37.9	Very low	190 Å²	190	126.8 Å²	126.8	89%	0.888	68%	0.683	S	S	*	*			trans	-85	115.8	158.6	-77.8	-168.8	162	0	0	108.2	T10	E8-T10 PolarHBondContact O-N 3.11Å
9	G	27	Very low	39	Very low	72 Å²	72	120.6 Å²	120.6	74%	0.742	65%	0.649	S	S	*	*			trans	-54.4	119.5	-173.7	0	0	0	0	0	112.5	S11	G9-S11 VanDerWaalsContact C-N 3.33Å; G9-S11 PolarHBondContact O-N 2.78Å
10	T	30.5	Very low	39.6	Very low	138 Å²	138	118.2 Å²	118.2	85%	0.847	64%	0.635	S	S	*	*			trans	-63.5	97.1	158.5	39.5	0	0	0	0	107.6	E8 A12	E8-T10 PolarHBondContact O-N 3.11Å; T10-A12 PolarHBondContact O-N 2.62Å
11	S	32.8	Very low	40.1	Very low	91 Å²	91	117.7 Å²	117.7	64%	0.636	63%	0.629	S	S	*	*			trans	-56.2	109.5	161.5	66.7	0	0	0	0	106.2	G9 F13	G9-S11 VanDerWaalsContact C-N 3.33Å; G9-S11 PolarHBondContact O-N 2.78Å; S11-F13 PolarHBondContact O-N 2.96Å
12	A	37.5	Very low	40.4	Very low	93 Å²	93	109.3 Å²	109.3	77%	0.769	59%	0.586	S	S	*	*			trans	-53.6	118.9	-177	0	0	0	0	0	108.9	T10 H14	T10-A12 PolarHBondContact O-N 2.62Å; A12-H14 PolarHBondContact O-N 3.11Å
13	F	46.2	Very low	40.9	Very low	49 Å²	49	102.2 Å²	102.2	22%	0.215	56%	0.559	C	S	.	*			trans	-57.1	108.2	172.5	177.1	-116.6	0	0	0	108.2	S11 M15 R454 K465 M466	S11-F13 PolarHBondContact O-N 2.96Å; F13-M15 HydrophobicContact CD1-CG 3.42Å; F13-M15 VanDerWaalsContact CD1-CG 3.42Å; F13-M15 HydrophobicContact CD1-SD 4.34Å; F13-M15 HydrophobicContact CE1-CB 4.46Å; F13-M15 HydrophobicContact CE1-CE 4.43Å; F13-M15 HydrophobicContact CE1-CG 3.37Å; F13-M15 HydrophobicContact CE1-SD 4.27Å; F13-M15 HydrophobicContact CZ-CG 4.45Å; F13-M15 PolarHBondContact O-N 3.2Å; F13-R454 VanDerWaalsContact CD2-NH2 3.3Å; F13-K465 HydrophobicContact CD1-CD 4.11Å; F13-K465 HydrophobicContact CE1-CD 4.37Å; F13-M466 HydrophobicContact CE2-CE 3.97Å; F13-M466 HydrophobicContact CZ-CE 3.59Å; F13-M466 HydrophobicContact CZ-CG 4.39Å
14	H	48.4	Very low	41.3	Very low	171 Å²	171	99.8 Å²	99.8	79%	0.792	56%	0.555	S	S	*	*			trans	-77.1	103.4	175.2	-169.2	62.9	0	0	0	107.8	A12 P16	A12-H14 PolarHBondContact O-N 3.11Å; H14-P16 WeakPolarHBondContact O-CD 3.01Å
15	M	54.5	Low	42	Very low	35 Å²	35	94.3 Å²	94.3	17%	0.172	54%	0.54	C	S	.	.			trans	-73.8	128.3	177.3	-72.5	-171.2	78	0	0	109.2	F13 E17 M19 I20 K465	F13-M15 HydrophobicContact CD1-CG 3.42Å; F13-M15 VanDerWaalsContact CD1-CG 3.42Å; F13-M15 HydrophobicContact CD1-SD 4.34Å; F13-M15 HydrophobicContact CE1-CB 4.46Å; F13-M15 HydrophobicContact CE1-CE 4.43Å; F13-M15 HydrophobicContact CE1-CG 3.37Å; F13-M15 HydrophobicContact CE1-SD 4.27Å; F13-M15 HydrophobicContact CZ-CG 4.45Å; F13-M15 PolarHBondContact O-N 3.2Å; M15-E17 PolarHBondContact O-N 3.09Å; M15-M19 HydrophobicContact CE-CB 3.56Å; M15-M19 HydrophobicContact CE-CG 4.47Å; M15-M19 HydrophobicContact CE-SD 4.1Å; M15-I20 HydrophobicContact CB-CD1 3.94Å; M15-I20 HydrophobicContact CB-CG1 3.81Å; M15-I20 HydrophobicContact SD-CG1 4.43Å; M15-K465 HydrophobicContact SD-CD 3.93Å; M15-K465 PolarHBondContact SD-NZ 3.18Å
16	P	58.3	Low	42.4	Very low	38 Å²	38	97.2 Å²	97.2	25%	0.247	55%	0.546	C	S	.	.			trans	-53.8	138.2	163.1	-25.5	35.8	0	0	0	110.4	H14 W18 M19	H14-P16 WeakPolarHBondContact O-CD 3.01Å; P16-W18 HydrophobicContact CB-CD2 4.37Å; P16-W18 HydrophobicContact CB-CG 4.21Å; P16-W18 HydrophobicContact CB-CZ2 4.33Å; P16-W18 HydrophobicContact CG-CZ2 4.38Å; P16-W18 PolarHBondContact O-N 3.23Å; P16-W18 VanDerWaalsContact O-N 3.1Å; P16-M19 HydrophobicContact CB-CE 4.33Å; P16-M19 VanDerWaalsContact CD-CE 3.42Å; P16-M19 HydrophobicContact CG-CE 3.61Å; P16-M19 PolarHBondContact O-N 2.6Å
17	E	54.8	Low	42.8	Very low	146 Å²	146	101 Å²	101	68%	0.682	54%	0.543	S	S	*	.	H	α-helix	trans	-54.8	-34	-174.2	-70.5	-174.9	166.6	0	0	112.4	M15 M19 I20 Q21	M15-E17 PolarHBondContact O-N 3.09Å; E17-M19 VanDerWaalsContact C-N 3.28Å; E17-M19 PolarHBondContact O-N 2.82Å; E17-I20 PolarHBondContact O-N 3.32Å; E17-Q21 PolarHBondContact O-N 3.12Å
18	W	63.7	Low	43.2	Very low	3 Å²	3	103 Å²	103	1%	0.011	55%	0.547	C	S	.	.	H	α-helix	trans	-63.7	-24.5	177.8	63.5	-94.3	0	0	0	115.1	P16 L111 R114 A115 E118 L442 I445 Y469	P16-W18 HydrophobicContact CB-CD2 4.37Å; P16-W18 HydrophobicContact CB-CG 4.21Å; P16-W18 HydrophobicContact CB-CZ2 4.33Å; P16-W18 HydrophobicContact CG-CZ2 4.38Å; P16-W18 PolarHBondContact O-N 3.23Å; P16-W18 VanDerWaalsContact O-N 3.1Å; W18-L111 HydrophobicContact CE3-CD1 4.36Å; W18-L111 HydrophobicContact CH2-CD1 3.68Å; W18-L111 HydrophobicContact CZ3-CD1 3.43Å; W18-L111 VanDerWaalsContact CZ3-CD1 3.43Å; W18-R114 HydrophobicContact CE3-CB 4.46Å; W18-A115 HydrophobicContact CD2-CB 4.03Å; W18-A115 HydrophobicContact CE3-CB 4.28Å; W18-A115 HydrophobicContact CG-CB 4.48Å; W18-A115 HydrophobicContact CZ2-CB 4.32Å; W18-E118 VanDerWaalsContact CD1-CD 3.46Å; W18-L442 HydrophobicContact CH2-CD2 3.77Å; W18-L442 HydrophobicContact CZ3-CD2 4.39Å; W18-I445 HydrophobicContact CH2-CD1 4.41Å; W18-I445 HydrophobicContact CZ2-CD1 4.38Å; W18-I445 HydrophobicContact CZ2-CG2 4.33Å; W18-Y469 AromaticContact CZ3-CE1 3.7Å; W18-Y469 HydrophobicContact CZ3-CE1 3.7Å
19	M	57.2	Low	43.7	Very low	8 Å²	8	101.4 Å²	101.4	4%	0.039	54%	0.538	C	S	.	.	H	α-helix	trans	-78.7	-26.8	172.9	-72.8	-172.2	-128.7	0	0	112.1	M15 P16 E17 M466 Y469	M15-M19 HydrophobicContact CE-CB 3.56Å; M15-M19 HydrophobicContact CE-CG 4.47Å; M15-M19 HydrophobicContact CE-SD 4.1Å; P16-M19 HydrophobicContact CB-CE 4.33Å; P16-M19 VanDerWaalsContact CD-CE 3.42Å; P16-M19 HydrophobicContact CG-CE 3.61Å; P16-M19 PolarHBondContact O-N 2.6Å; E17-M19 VanDerWaalsContact C-N 3.28Å; E17-M19 PolarHBondContact O-N 2.82Å; M19-M466 HydrophobicContact CE-CE 3.88Å; M19-Y469 HydrophobicContact CG-CE1 4.29Å
20	I	52.8	Low	43.9	Very low	72 Å²	72	106.1 Å²	106.1	37%	0.369	55%	0.546	S	S	.	.	H	α-helix	trans	-77.7	-33.5	-177.9	-56.2	175.2	0	0	0	111	M15 E17 F22 A23	M15-I20 HydrophobicContact CB-CD1 3.94Å; M15-I20 HydrophobicContact CB-CG1 3.81Å; M15-I20 HydrophobicContact SD-CG1 4.43Å; E17-I20 PolarHBondContact O-N 3.32Å; I20-F22 PolarHBondContact O-N 3.36Å; I20-A23 PolarHBondContact O-N 2.99Å
21	Q	48.5	Very low	44	Very low	108 Å²	108	109 Å²	109	51%	0.505	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	2.7	-178.7	-71.8	-176.6	-0.6	0	0	115.6	E17	E17-Q21 PolarHBondContact O-N 3.12Å
22	F	44	Very low	44.1	Very low	78 Å²	78	115.5 Å²	115.5	34%	0.342	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70	-31.2	169.4	-155.4	-83.3	0	0	0	112.4	I20 R114 Y469 S472	I20-F22 PolarHBondContact O-N 3.36Å; F22-R114 VanDerWaalsContact CD2-NH2 3.29Å; F22-Y469 HydrophobicContact CD2-CE2 4.31Å; F22-S472 WeakPolarHBondContact CE1-OG 3.03Å; F22-S472 WeakPolarHBondContact CE2-OG 3.49Å; F22-S472 WeakPolarHBondContact CZ-OG 3.41Å
23	A	40.1	Very low	44	Very low	40 Å²	40	117.4 Å²	117.4	33%	0.331	56%	0.562	S	S	.	*	S	Bend	trans	-80.5	-21.7	-176.1	0	0	0	0	0	114.4	I20	I20-A23 PolarHBondContact O-N 2.99Å
24	D	34.8	Very low	43.4	Very low	136 Å²	136	121.2 Å²	121.2	73%	0.727	59%	0.589	S	S	*	*			trans	-105.8	0.3	-169.5	-80.8	-34.8	0	0	0	115.3	K26	D24-K26 VanDerWaalsContact C-N 3.28Å; D24-K26 PolarHBondContact O-N 3.04Å
25	Q	39.6	Very low	42.7	Very low	139 Å²	139	122.9 Å²	122.9	65%	0.65	59%	0.594	S	S	*	*			trans	-76.4	81.2	173.9	-76.3	-169.6	-5.8	0	0	110.9	Q27	Q25-Q27 PolarHBondContact O-N 2.85Å
26	K	33.4	Very low	41.7	Very low	203 Å²	203	129.3 Å²	129.3	88%	0.883	63%	0.627	S	S	*	*			trans	-54.5	105	160.4	-79.6	-178.3	179	174.1	0	109	D24 E28	D24-K26 VanDerWaalsContact C-N 3.28Å; D24-K26 PolarHBondContact O-N 3.04Å; K26-E28 PolarHBondContact O-N 3.28Å; K26-E28 VanDerWaalsContact O-N 3.17Å
27	Q	37.7	Very low	40.4	Very low	157 Å²	157	130.8 Å²	130.8	73%	0.734	65%	0.65	S	S	*	*			trans	-61.6	110.7	170.6	-99.2	-174.5	-2.3	0	0	110.1	Q25 F29	Q25-Q27 PolarHBondContact O-N 2.85Å; Q27-F29 HydrophobicContact CB-CD2 3.61Å; Q27-F29 HydrophobicContact CB-CE2 4.2Å; Q27-F29 HydrophobicContact CG-CD2 3.75Å; Q27-F29 HydrophobicContact CG-CE2 3.82Å; Q27-F29 PolarHBondContact O-N 3.02Å
28	E	35.4	Very low	39.5	Very low	195 Å²	195	135.6 Å²	135.6	91%	0.911	66%	0.662	S	S	*	*			trans	-67.1	76.5	166.1	-78.6	-167	146.1	0	0	110.3	K26	K26-E28 PolarHBondContact O-N 3.28Å; K26-E28 VanDerWaalsContact O-N 3.17Å
29	F	40.4	Very low	38.1	Very low	158 Å²	158	147 Å²	147	69%	0.693	71%	0.705	S	S	*	*			trans	-118.6	11.7	-179.9	-84.9	-92.9	0	0	0	114.6	Q27 K31	Q27-F29 HydrophobicContact CB-CD2 3.61Å; Q27-F29 HydrophobicContact CB-CE2 4.2Å; Q27-F29 HydrophobicContact CG-CD2 3.75Å; Q27-F29 HydrophobicContact CG-CE2 3.82Å; Q27-F29 PolarHBondContact O-N 3.02Å; F29-K31 PolarHBondContact O-N 2.84Å
30	N	32	Very low	37	Very low	171 Å²	171	152 Å²	152	91%	0.914	74%	0.741	S	S	*	*			trans	-77.5	10.6	176.6	-92.3	-16.4	0	0	0	115.6	R32	N30-R32 PolarHBondContact O-N 2.97Å
31	K	33.1	Very low	36.1	Very low	199 Å²	199	157.3 Å²	157.3	87%	0.865	77%	0.768	S	S	*	*			trans	-93.4	93	171.1	-76.9	-176.9	-179.4	170.7	0	110.7	F29	F29-K31 PolarHBondContact O-N 2.84Å
32	R	33.8	Very low	35.3	Very low	227 Å²	227	157.2 Å²	157.2	86%	0.857	78%	0.78	S	S	*	*			trans	-57	130.7	166.1	-74.7	-179.4	176.5	178.7	-1.1	110.3	N30 T34	N30-R32 PolarHBondContact O-N 2.97Å; R32-T34 PolarHBondContact O-N 2.92Å
33	P	35.9	Very low	35	Very low	133 Å²	133	165.6 Å²	165.6	86%	0.864	81%	0.809	S	S	*	*			trans	-73.4	111.5	167.5	-7.6	23.2	0	0	0	109.3
34	T	32.9	Very low	34.6	Very low	128 Å²	128	169.4 Å²	169.4	79%	0.785	83%	0.833	S	S	*	*			trans	-88	104.2	166.2	41.4	0	0	0	0	109.2	R32	R32-T34 PolarHBondContact O-N 2.92Å
35	K	33.2	Very low	34.4	Very low	206 Å²	206	170.5 Å²	170.5	90%	0.896	84%	0.837	S	S	*	*			trans	170.4	105	142.1	-95.3	165.3	-175.9	-176.9	0	110.4
36	I	34	Very low	34.2	Very low	170 Å²	170	169.1 Å²	169.1	87%	0.872	84%	0.843	S	S	*	*			trans	-89	107.6	165.8	-64.1	170.2	0	0	0	107.1
37	G	30.8	Very low	34	Very low	69 Å²	69	168.1 Å²	168.1	71%	0.711	84%	0.842	S	S	*	*			trans	-86.2	118.4	164.6	0	0	0	0	0	109.6	R39	G37-R39 PolarHBondContact O-N 2.69Å
38	R	36.9	Very low	33.9	Very low	248 Å²	248	166.5 Å²	166.5	94%	0.936	85%	0.847	S	S	*	*			trans	-59.6	127.5	172.5	-79	177	170.6	173.7	-3.4	110.2
39	R	33.9	Very low	33.6	Very low	243 Å²	243	162.3 Å²	162.3	92%	0.917	84%	0.84	S	S	*	*			trans	-129	127.5	156.7	-83.7	-173.9	175	178.5	-1.4	110	G37	G37-R39 PolarHBondContact O-N 2.69Å
40	S	33.6	Very low	33.6	Very low	113 Å²	113	161 Å²	161	79%	0.79	85%	0.845	S	S	*	*			trans	-68.6	136.3	179.6	49.9	0	0	0	0	111.6
41	L	34	Very low	33.4	Very low	182 Å²	182	159.6 Å²	159.6	95%	0.953	84%	0.838	S	S	*	*			trans	-82	114.3	169.1	-72.1	161.2	0	0	0	109.6
42	S	32.7	Very low	33.2	Very low	106 Å²	106	155.5 Å²	155.5	74%	0.741	83%	0.834	S	S	*	*			trans	-104.7	122.6	162	54.7	0	0	0	0	109
43	R	36.8	Very low	32.9	Very low	255 Å²	255	154.7 Å²	154.7	96%	0.962	83%	0.832	S	S	*	*			trans	-62.6	136.1	169.6	-73.2	174.9	172.4	171.1	-3.5	110.1
44	S	31	Very low	32.6	Very low	119 Å²	119	153.5 Å²	153.5	83%	0.832	83%	0.827	S	S	*	*			trans	-140	140.2	158.8	56.7	0	0	0	0	111.3
45	I	31.7	Very low	32.5	Very low	159 Å²	159	152.7 Å²	152.7	82%	0.815	83%	0.827	S	S	*	*			trans	-71.1	147.8	-170.1	-77.2	158.2	0	0	0	111.8
46	S	35.3	Very low	32.3	Very low	111 Å²	111	147 Å²	147	78%	0.776	82%	0.818	S	S	*	*			trans	-50.6	128	170.3	47.7	0	0	0	0	113.5
47	Q	29.2	Very low	32.1	Very low	182 Å²	182	142.3 Å²	142.3	85%	0.85	81%	0.805	S	S	*	*			trans	-129.7	123.5	154.3	-78.6	-167.6	-15.5	0	0	109.6
48	S	34.4	Very low	31.9	Very low	122 Å²	122	143.5 Å²	143.5	85%	0.853	80%	0.802	S	S	*	*			trans	-59.4	124.5	167.9	49.5	0	0	0	0	110.3
49	S	30.1	Very low	31.9	Very low	108 Å²	108	142.1 Å²	142.1	76%	0.755	80%	0.798	S	S	*	*			trans	-117.6	110.4	165.9	-60.9	0	0	0	0	107.9
50	T	40.3	Very low	31.8	Very low	129 Å²	129	136.2 Å²	136.2	79%	0.791	79%	0.79	S	S	*	*			trans	-70.5	112	161.6	37	0	0	0	0	108.2
51	D	27	Very low	32	Very low	143 Å²	143	138.2 Å²	138.2	77%	0.765	79%	0.791	S	S	*	*			trans	-148	86.5	156.7	-87.2	-36	0	0	0	108.2	Y53	D51-Y53 PolarHBondContact O-N 3.28Å
52	S	29	Very low	32.1	Very low	112 Å²	112	133.6 Å²	133.6	78%	0.783	77%	0.774	S	S	*	*			trans	-80.1	93.8	169.8	-62	0	0	0	0	108.6	S54	S52-S54 PolarHBondContact O-N 3.28Å
53	Y	28.4	Very low	32.6	Very low	210 Å²	210	133.3 Å²	133.3	82%	0.824	77%	0.772	S	S	*	*			trans	-77.4	99.5	155.5	-92.5	-86.7	0	0	0	107.9	D51 S55	D51-Y53 PolarHBondContact O-N 3.28Å; Y53-S55 VanDerWaalsContact C-N 3.29Å; Y53-S55 PolarHBondContact O-N 2.71Å
54	S	28.4	Very low	32.8	Very low	108 Å²	108	127 Å²	127	76%	0.755	76%	0.757	S	S	*	*			trans	-68.1	84.3	171.1	-47.9	0	0	0	0	109.7	S52 A56	S52-S54 PolarHBondContact O-N 3.28Å; S54-A56 PolarHBondContact O-N 3.45Å
55	S	32.5	Very low	33.7	Very low	112 Å²	112	125.1 Å²	125.1	78%	0.783	74%	0.738	S	S	*	*			trans	-78.9	70	159.3	18.1	0	0	0	0	108.7	Y53 A57	Y53-S55 VanDerWaalsContact C-N 3.29Å; Y53-S55 PolarHBondContact O-N 2.71Å; S55-A57 PolarHBondContact O-N 3.24Å
56	A	29.3	Very low	35	Very low	87 Å²	87	127.1 Å²	127.1	72%	0.719	74%	0.744	S	S	*	*			trans	-70.6	79.5	156.5	0	0	0	0	0	107.2	S54 S58	S54-A56 PolarHBondContact O-N 3.45Å; A56-S58 PolarHBondContact O-N 2.84Å
57	A	28.6	Very low	36.8	Very low	71 Å²	71	125.2 Å²	125.2	59%	0.587	73%	0.728	S	S	*	*			trans	-68.9	85.1	158.9	0	0	0	0	0	106.4	S55 Y59	S55-A57 PolarHBondContact O-N 3.24Å; A57-Y59 VanDerWaalsContact C-N 3.34Å; A57-Y59 PolarHBondContact O-N 2.9Å
58	S	27.3	Very low	39.4	Very low	93 Å²	93	118.1 Å²	118.1	65%	0.65	70%	0.698	S	S	*	*			trans	-59.8	101.4	164.7	52.7	0	0	0	0	107	A56 T60	A56-S58 PolarHBondContact O-N 2.84Å; S58-T60 PolarHBondContact O-N 2.86Å
59	Y	35.8	Very low	42.1	Very low	220 Å²	220	112.5 Å²	112.5	86%	0.863	66%	0.659	S	S	*	*			trans	-62.1	87.3	163	-68.9	-80.9	0	0	0	107.1	A57 D61	A57-Y59 VanDerWaalsContact C-N 3.34Å; A57-Y59 PolarHBondContact O-N 2.9Å; Y59-D61 VanDerWaalsContact C-N 3.31Å; Y59-D61 PolarHBondContact O-N 3.39Å; Y59-D61 VanDerWaalsContact O-N 3.12Å
60	T	32.5	Very low	45	Very low	119 Å²	119	112.1 Å²	112.1	73%	0.73	64%	0.641	S	S	*	*			trans	-70.2	101.9	158.4	40.4	0	0	0	0	104.8	S58 S62	S58-T60 PolarHBondContact O-N 2.86Å; T60-S62 PolarHBondContact O-N 2.95Å
61	D	38.4	Very low	47.3	Very low	155 Å²	155	112 Å²	112	83%	0.829	64%	0.635	S	S	*	*			trans	-53.9	94	151.9	-169.1	25.1	0	0	0	105.4	Y59 S63	Y59-D61 VanDerWaalsContact C-N 3.31Å; Y59-D61 PolarHBondContact O-N 3.39Å; Y59-D61 VanDerWaalsContact O-N 3.12Å; D61-S63 PolarHBondContact O-N 2.93Å
62	S	35.7	Very low	50.3	Low	84 Å²	84	107.9 Å²	107.9	59%	0.587	61%	0.611	S	S	*	*			trans	-62.7	107.2	174.2	-173.3	0	0	0	0	105.6	T60 D64	T60-S62 PolarHBondContact O-N 2.95Å; S62-D64 PolarHBondContact O-N 3.31Å
63	S	42.4	Very low	53	Low	101 Å²	101	110.3 Å²	110.3	71%	0.706	61%	0.609	S	S	*	*			trans	-63.6	31.7	179.8	54.3	0	0	0	0	114.4	D61	D61-S63 PolarHBondContact O-N 2.93Å
64	D	42.1	Very low	56.3	Low	121 Å²	121	101.8 Å²	101.8	65%	0.647	58%	0.577	S	S	*	*			trans	-122.6	49.5	-164.5	-76.8	-16.5	0	0	0	112.8	S62	S62-D64 PolarHBondContact O-N 3.31Å
65	D	49.8	Very low	59.6	Low	81 Å²	81	102.9 Å²	102.9	43%	0.433	57%	0.568	S	S	.	*			trans	-158.6	77.2	154.7	-102.6	-23.5	0	0	0	112.7	T67 K72 K86	D65-T67 PolarHBondContact O-N 2.87Å; D65-T67 PolarHBondContact OD1-OG1 2.8Å; D65-K72 IonicContact OD1-NZ 3.99Å; D65-K72 PolarHBondContact OD1-NZ 3.15Å; D65-K72 IonicContact OD2-NZ 2.62Å; D65-K72 PolarHBondContact OD2-NZ 3.25Å; D65-K86 PolarHBondContact O-NZ 2.85Å
66	E	58.6	Low	62.7	Low	201 Å²	201	98 Å²	98	94%	0.939	53%	0.533	S	S	*	.			trans	-62.9	-12.5	166.1	-77.3	-119.8	149.3	0	0	113.2
67	T	71.9	Confident	65.9	Low	70 Å²	70	98.4 Å²	98.4	43%	0.429	53%	0.531	S	S	.	.	S	Bend	trans	-88.5	127	-179.5	36.8	0	0	0	0	111.3	D65 K72	D65-T67 PolarHBondContact O-N 2.87Å; D65-T67 PolarHBondContact OD1-OG1 2.8Å; T67-K72 PolarHBondContact O-NZ 3.12Å; T67-K72 WeakPolarHBondContact OG1-CE 3.1Å; T67-K72 PolarHBondContact OG1-NZ 2.96Å
68	S	85.4	Confident	69.2	Low	33 Å²	33	102.4 Å²	102.4	23%	0.231	54%	0.535	C	S	.	.			trans	-55.3	140.3	179.3	179.3	0	0	0	0	110.7	R70 D71	S68-R70 PolarHBondContact O-N 2.89Å; S68-R70 PolarHBondContact OG-N 2.94Å; S68-D71 PolarHBondContact O-N 3.24Å
69	P	90.9	Very high	72.5	Confident	4 Å²	4	100.1 Å²	100.1	3%	0.026	53%	0.526	C	S	.	.	G	3₁₀ helix	trans	-53	-26.7	173.4	-29.8	39.5	0	0	0	113.7	D71 K72 K86 W178	P69-D71 VanDerWaalsContact C-N 3.25Å; P69-D71 PolarHBondContact O-N 2.81Å; P69-K72 PolarHBondContact O-N 2.67Å; P69-K86 HydrophobicContact CG-CD 3.83Å; P69-W178 HydrophobicContact CB-CD2 4.05Å; P69-W178 HydrophobicContact CB-CE3 4.04Å; P69-W178 HydrophobicContact CB-CZ3 4.39Å; P69-W178 HydrophobicContact CG-CB 4.37Å; P69-W178 HydrophobicContact CG-CD2 3.66Å; P69-W178 HydrophobicContact CG-CE3 4.18Å; P69-W178 HydrophobicContact CG-CG 3.74Å; P69-W178 HydrophobicContact CG-CZ2 4.41Å
70	R	90.9	Very high	75.4	Confident	101 Å²	101	92 Å²	92	38%	0.381	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-63.3	-29.7	177.3	-66.8	173.4	61.1	-178.6	-1	113.7	S68 K72 W178 D185 W188	S68-R70 PolarHBondContact O-N 2.89Å; S68-R70 PolarHBondContact OG-N 2.94Å; R70-K72 VanDerWaalsContact C-N 3.28Å; R70-W178 HydrophobicContact CG-CH2 3.64Å; R70-W178 HydrophobicContact CG-CZ2 4.35Å; R70-W178 HydrophobicContact CG-CZ3 4.36Å; R70-D185 WeakPolarHBondContact CD-OD1 3.35Å; R70-D185 IonicContact CZ-OD1 3.32Å; R70-D185 IonicContact NE-OD1 3.28Å; R70-D185 IonicContact NH1-OD1 2.69Å; R70-D185 PolarHBondContact NH1-OD1 3.03Å; R70-W188 HydrophobicContact CG-CD2 4.45Å; R70-W188 HydrophobicContact CG-CE3 4.11Å; R70-W188 HydrophobicContact CG-CH2 4.03Å; R70-W188 HydrophobicContact CG-CZ2 4.35Å; R70-W188 HydrophobicContact CG-CZ3 3.91Å
71	D	89.1	Confident	78.5	Confident	125 Å²	125	88.6 Å²	88.6	67%	0.668	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-87.3	-4.4	-177.2	-56.6	-39.7	0	0	0	112	S68 P69	S68-D71 PolarHBondContact O-N 3.24Å; P69-D71 VanDerWaalsContact C-N 3.25Å; P69-D71 PolarHBondContact O-N 2.81Å
72	K	88.4	Confident	81.3	Confident	58 Å²	58	83.7 Å²	83.7	25%	0.252	46%	0.456	S	S	.	.			trans	-112.7	105.1	-178.3	-71.2	176.3	-178.8	144	0	111.2	D65 T67 P69 R70 Q74	D65-K72 IonicContact OD1-NZ 3.99Å; D65-K72 PolarHBondContact OD1-NZ 3.15Å; D65-K72 IonicContact OD2-NZ 2.62Å; D65-K72 PolarHBondContact OD2-NZ 3.25Å; T67-K72 PolarHBondContact O-NZ 3.12Å; T67-K72 WeakPolarHBondContact OG1-CE 3.1Å; T67-K72 PolarHBondContact OG1-NZ 2.96Å; P69-K72 PolarHBondContact O-N 2.67Å; R70-K72 VanDerWaalsContact C-N 3.28Å; K72-Q74 PolarHBondContact O-N 3.22Å; K72-Q74 VanDerWaalsContact O-N 3.11Å
73	Q	87	Confident	84.2	Confident	162 Å²	162	80.5 Å²	80.5	76%	0.757	43%	0.432	S	S	*	.			trans	-72.4	108.9	171.6	-164	171.7	19.1	0	0	110.3
74	Q	96.4	Very high	86.9	Confident	32 Å²	32	76.1 Å²	76.1	15%	0.15	40%	0.401	C	S	.	.			trans	-104.4	156.8	175.7	-67.2	170.6	77.1	0	0	110	K72 S81 F83 V85 I88	K72-Q74 PolarHBondContact O-N 3.22Å; K72-Q74 VanDerWaalsContact O-N 3.11Å; Q74-S81 WeakPolarHBondContact O-CB 3.25Å; Q74-F83 HydrophobicContact CB-CE2 3.92Å; Q74-F83 HydrophobicContact CB-CZ 4.23Å; Q74-V85 PolarHBondContact NE2-O 3.03Å; Q74-I88 HydrophobicContact CB-CB 4.5Å; Q74-I88 HydrophobicContact CB-CG2 4.24Å
75	K	97.8	Very high	89.6	Confident	131 Å²	131	70.4 Å²	70.4	57%	0.57	37%	0.37	S	S	*	.			trans	-132.1	142.8	174.8	-67.8	-176.9	179.1	-175.1	0	109.8	S80	K75-S80 VanDerWaalsContact CA-O 3.27Å; K75-S80 WeakPolarHBondContact CA-O 3.28Å
76	N	97.8	Very high	91.8	Very high	9 Å²	9	69.5 Å²	69.5	5%	0.048	36%	0.363	C	S	.	.			trans	-77.6	173.9	167.7	65.5	16.1	0	0	0	110.9	K78 G79 S80 F83 A169 E170	N76-K78 PolarHBondContact O-N 3.38Å; N76-K78 VanDerWaalsContact O-N 3.08Å; N76-K78 PolarHBondContact OD1-N 2.91Å; N76-G79 PolarHBondContact O-N 2.81Å; N76-G79 PolarHBondContact OD1-N 3.11Å; N76-G79 VanDerWaalsContact OD1-N 3.16Å; N76-S80 PolarHBondContact N-O 2.71Å; N76-S80 WeakPolarHBondContact OD1-CB 3.45Å; N76-S80 PolarHBondContact OD1-N 3.4Å; N76-S80 PolarHBondContact OD1-O 2.95Å; N76-F83 HydrophobicContact CB-CE1 3.99Å; N76-F83 HydrophobicContact CB-CZ 4.41Å; N76-A169 PolarHBondContact ND2-O 3.2Å; N76-A169 VanDerWaalsContact ND2-O 3.08Å; N76-E170 WeakPolarHBondContact CA-OE2 3.44Å; N76-E170 VanDerWaalsContact CB-OE2 3.25Å; N76-E170 WeakPolarHBondContact CB-OE2 3.37Å
77	S	97.3	Very high	93.6	Very high	95 Å²	95	62.7 Å²	62.7	66%	0.664	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.3	179.7	66.2	0	0	0	0	114.2	G79 E170	S77-G79 VanDerWaalsContact C-N 3.32Å; S77-E170 WeakPolarHBondContact CB-OE1 3.46Å; S77-E170 PolarHBondContact N-OE1 3.1Å; S77-E170 PolarHBondContact N-OE2 3.09Å; S77-E170 PolarHBondContact OG-OE1 2.83Å
78	K	97.4	Very high	94.8	Very high	156 Å²	156	60.4 Å²	60.4	68%	0.678	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	1.4	177.3	-59.1	172.3	-171.4	163.9	0	113.1	N76 S80 S171	N76-K78 PolarHBondContact O-N 3.38Å; N76-K78 VanDerWaalsContact O-N 3.08Å; N76-K78 PolarHBondContact OD1-N 2.91Å; K78-S80 VanDerWaalsContact C-N 3.32Å; K78-S80 PolarHBondContact O-N 3.15Å; K78-S171 PolarHBondContact NZ-O 2.95Å
79	G	96.6	Very high	95.4	Very high	44 Å²	44	67.6 Å²	67.6	45%	0.454	35%	0.345	S	S	.	.	S	Bend	trans	80.8	3.1	177.6	0	0	0	0	0	115.4	N76 S77	N76-G79 PolarHBondContact O-N 2.81Å; N76-G79 PolarHBondContact OD1-N 3.11Å; N76-G79 VanDerWaalsContact OD1-N 3.16Å; S77-G79 VanDerWaalsContact C-N 3.32Å
80	S	96.8	Very high	95.7	Very high	50 Å²	50	70.5 Å²	70.5	35%	0.35	36%	0.358	S	S	.	.			trans	-72.7	143.1	174	-178.5	0	0	0	0	110.5	K75 N76 K78 D82 F83	K75-S80 VanDerWaalsContact CA-O 3.27Å; K75-S80 WeakPolarHBondContact CA-O 3.28Å; N76-S80 PolarHBondContact N-O 2.71Å; N76-S80 WeakPolarHBondContact OD1-CB 3.45Å; N76-S80 PolarHBondContact OD1-N 3.4Å; N76-S80 PolarHBondContact OD1-O 2.95Å; K78-S80 VanDerWaalsContact C-N 3.32Å; K78-S80 PolarHBondContact O-N 3.15Å; S80-D82 PolarHBondContact OG-N 2.87Å; S80-F83 VanDerWaalsContact O-CE1 3.26Å; S80-F83 WeakPolarHBondContact O-CE1 3.29Å
81	S	96.8	Very high	96.1	Very high	47 Å²	47	66.2 Å²	66.2	33%	0.329	34%	0.344	S	S	.	.			trans	-123.4	21.9	170	66	0	0	0	0	111.7	Q74 F83	Q74-S81 WeakPolarHBondContact O-CB 3.25Å; S81-F83 PolarHBondContact O-N 2.82Å
82	D	97.4	Very high	96.5	Very high	53 Å²	53	67.5 Å²	67.5	28%	0.283	35%	0.346	S	S	.	.			trans	-81.9	57.8	177.3	-172.2	33.2	0	0	0	111.1	S80 R151 P174	S80-D82 PolarHBondContact OG-N 2.87Å; D82-R151 IonicContact OD1-NH2 2.71Å; D82-R151 PolarHBondContact OD1-NH2 3.24Å; D82-R151 IonicContact OD2-CZ 2.85Å; D82-R151 IonicContact OD2-NE 3.79Å; D82-R151 IonicContact OD2-NH2 2.95Å; D82-R151 PolarHBondContact OD2-NH2 3.29Å; D82-P174 WeakPolarHBondContact O-CA 2.95Å; D82-P174 VanDerWaalsContact O-CB 3.31Å; D82-P174 WeakPolarHBondContact O-CB 3.46Å; D82-P174 WeakPolarHBondContact OD2-CG 3.46Å
83	F	98.2	Very high	97	Very high	17 Å²	17	69 Å²	69	8%	0.075	35%	0.353	C	S	.	.			trans	-163.2	166.4	176.4	60.7	-97	0	0	0	109.5	Q74 N76 S80 S81 V85 I88 A169 V175	Q74-F83 HydrophobicContact CB-CE2 3.92Å; Q74-F83 HydrophobicContact CB-CZ 4.23Å; N76-F83 HydrophobicContact CB-CE1 3.99Å; N76-F83 HydrophobicContact CB-CZ 4.41Å; S80-F83 VanDerWaalsContact O-CE1 3.26Å; S80-F83 WeakPolarHBondContact O-CE1 3.29Å; S81-F83 PolarHBondContact O-N 2.82Å; F83-V85 HydrophobicContact CD2-CG1 4.24Å; F83-V85 HydrophobicContact CD2-CG2 3.9Å; F83-V85 HydrophobicContact CE2-CG2 3.92Å; F83-I88 HydrophobicContact CE2-CB 4.37Å; F83-I88 HydrophobicContact CE2-CD1 3.83Å; F83-I88 HydrophobicContact CE2-CG1 4.23Å; F83-I88 HydrophobicContact CZ-CB 4.5Å; F83-I88 HydrophobicContact CZ-CD1 3.78Å; F83-I88 HydrophobicContact CZ-CG1 3.99Å; F83-A169 HydrophobicContact CB-CB 4.03Å; F83-A169 HydrophobicContact CD1-CB 4Å; F83-A169 HydrophobicContact CD2-CB 3.75Å; F83-A169 HydrophobicContact CE1-CB 4.37Å; F83-A169 HydrophobicContact CE2-CB 4.15Å; F83-A169 HydrophobicContact CG-CB 3.67Å; F83-A169 HydrophobicContact CZ-CB 4.44Å; F83-V175 WeakPolarHBondContact CA-O 3.4Å; F83-V175 HydrophobicContact CB-CG1 4.48Å; F83-V175 WeakPolarHBondContact CB-O 3.3Å
84	C	98.3	Very high	97.5	Very high	9 Å²	9	61.3 Å²	61.3	6%	0.061	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-143.1	108.7	170.1	-170.8	0	0	0	0	109.3	V175 F176 A177 W178 W188	C84-V175 PolarHBondContact N-O 2.88Å; C84-F176 HydrophobicContact CB-CD1 3.74Å; C84-F176 HydrophobicContact CB-CE1 4.46Å; C84-F176 WeakPolarHBondContact O-CA 3.46Å; C84-A177 PolarHBondContact O-N 2.79Å; C84-W178 HydrophobicContact CB-CZ3 4.45Å; C84-W188 HydrophobicContact CB-CH2 3.81Å; C84-W188 HydrophobicContact CB-CZ3 3.8Å
85	V	97.9	Very high	97.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.321	C	S	.	.			trans	-134.1	160.2	-176.8	-58.7	0	0	0	0	109.9	Q74 F83 N87 I88 A165 A169 V175	Q74-V85 PolarHBondContact NE2-O 3.03Å; F83-V85 HydrophobicContact CD2-CG1 4.24Å; F83-V85 HydrophobicContact CD2-CG2 3.9Å; F83-V85 HydrophobicContact CE2-CG2 3.92Å; V85-N87 PolarHBondContact O-N 3.48Å; V85-I88 HydrophobicContact CG2-CB 4.42Å; V85-I88 HydrophobicContact CG2-CD1 4.29Å; V85-A165 HydrophobicContact CB-CB 4.43Å; V85-A165 HydrophobicContact CG1-CB 3.94Å; V85-A169 HydrophobicContact CG1-CB 4.06Å; V85-V175 HydrophobicContact CG1-CG1 3.75Å
86	K	96.2	Very high	97.6	Very high	62 Å²	62	62.7 Å²	62.7	27%	0.27	32%	0.317	S	S	.	.	S	Bend	trans	-60.2	-49	-177.5	-174	63.9	173	-174.8	0	112.9	D65 P69 N162 W178	D65-K86 PolarHBondContact O-NZ 2.85Å; P69-K86 HydrophobicContact CG-CD 3.83Å; K86-N162 HydrophobicContact CB-CB 4.11Å; K86-W178 HydrophobicContact CB-CB 4.03Å
87	N	96.8	Very high	97.5	Very high	59 Å²	59	65.4 Å²	65.4	32%	0.316	33%	0.33	S	S	.	.			trans	-156.1	106.6	-178.8	-178.4	1.3	0	0	0	111.8	V85 K89 Q90 A166	V85-N87 PolarHBondContact O-N 3.48Å; N87-K89 PolarHBondContact O-N 3.05Å; N87-K89 VanDerWaalsContact O-N 3.12Å; N87-K89 WeakPolarHBondContact OD1-CB 3.45Å; N87-K89 PolarHBondContact OD1-N 2.77Å; N87-Q90 HydrophobicContact CB-CG 4.16Å; N87-Q90 WeakPolarHBondContact O-CB 3.49Å; N87-Q90 PolarHBondContact O-N 2.97Å; N87-Q90 VanDerWaalsContact O-N 3.11Å; N87-A166 WeakPolarHBondContact O-CB 3.32Å
88	I	97.9	Very high	97.6	Very high	21 Å²	21	60.9 Å²	60.9	11%	0.108	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-60.5	-23.8	-178.7	-164.1	61.4	0	0	0	113.3	Q74 F83 V85 Q90 A91 A166 A169 E170	Q74-I88 HydrophobicContact CB-CB 4.5Å; Q74-I88 HydrophobicContact CB-CG2 4.24Å; F83-I88 HydrophobicContact CE2-CB 4.37Å; F83-I88 HydrophobicContact CE2-CD1 3.83Å; F83-I88 HydrophobicContact CE2-CG1 4.23Å; F83-I88 HydrophobicContact CZ-CB 4.5Å; F83-I88 HydrophobicContact CZ-CD1 3.78Å; F83-I88 HydrophobicContact CZ-CG1 3.99Å; V85-I88 HydrophobicContact CG2-CB 4.42Å; V85-I88 HydrophobicContact CG2-CD1 4.29Å; I88-Q90 PolarHBondContact O-N 2.84Å; I88-Q90 VanDerWaalsContact O-N 3.15Å; I88-A91 VanDerWaalsContact O-CB 3.31Å; I88-A91 WeakPolarHBondContact O-CB 2.98Å; I88-A91 PolarHBondContact O-N 2.86Å; I88-A166 WeakPolarHBondContact CD1-O 3.47Å; I88-A169 HydrophobicContact CD1-CB 3.57Å; I88-E170 HydrophobicContact CD1-CB 4.28Å
89	K	97.7	Very high	97.6	Very high	184 Å²	184	58 Å²	58	80%	0.8	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-68.6	-11.1	178.8	-60.5	-179.4	178.6	177.3	0	113.2	N87 A91	N87-K89 PolarHBondContact O-N 3.05Å; N87-K89 VanDerWaalsContact O-N 3.12Å; N87-K89 WeakPolarHBondContact OD1-CB 3.45Å; N87-K89 PolarHBondContact OD1-N 2.77Å; K89-A91 PolarHBondContact O-N 3.05Å
90	Q	97.6	Very high	97.5	Very high	65 Å²	65	60.5 Å²	60.5	30%	0.304	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-79.8	-2.5	175	-63.9	176.4	-23.7	0	0	113.2	N87 I88 E92 F93 G94 E163 A166	N87-Q90 HydrophobicContact CB-CG 4.16Å; N87-Q90 WeakPolarHBondContact O-CB 3.49Å; N87-Q90 PolarHBondContact O-N 2.97Å; N87-Q90 VanDerWaalsContact O-N 3.11Å; I88-Q90 PolarHBondContact O-N 2.84Å; I88-Q90 VanDerWaalsContact O-N 3.15Å; Q90-E92 VanDerWaalsContact C-N 3.34Å; Q90-E92 PolarHBondContact O-N 3.32Å; Q90-F93 PolarHBondContact O-N 3.12Å; Q90-F93 VanDerWaalsContact O-N 3.09Å; Q90-G94 PolarHBondContact O-N 3.11Å; Q90-E163 HydrophobicContact CB-CB 3.95Å; Q90-A166 HydrophobicContact CB-CB 4.1Å
91	A	98.4	Very high	97.5	Very high	12 Å²	12	58.3 Å²	58.3	10%	0.099	27%	0.274	C	S	.	.	H	α-helix	trans	-56.7	-39.2	-173.4	0	0	0	0	0	114.7	I88 K89 F93 G94 R95 A166 A167 E170	I88-A91 VanDerWaalsContact O-CB 3.31Å; I88-A91 WeakPolarHBondContact O-CB 2.98Å; I88-A91 PolarHBondContact O-N 2.86Å; K89-A91 PolarHBondContact O-N 3.05Å; A91-F93 VanDerWaalsContact C-N 3.34Å; A91-F93 PolarHBondContact O-N 3.19Å; A91-G94 PolarHBondContact O-N 3.23Å; A91-R95 WeakPolarHBondContact O-CB 3.43Å; A91-R95 PolarHBondContact O-N 3.05Å; A91-A166 HydrophobicContact CB-CB 4.27Å; A91-A167 WeakPolarHBondContact O-CB 3.35Å; A91-E170 HydrophobicContact CB-CB 3.57Å; A91-E170 HydrophobicContact CB-CG 3.9Å
92	E	98.4	Very high	97.5	Very high	151 Å²	151	58 Å²	58	71%	0.706	27%	0.267	S	S	*	.	H	α-helix	trans	-66.5	-37.6	178.5	-173.2	-171.1	-175	0	0	111.9	Q90 R96	Q90-E92 VanDerWaalsContact C-N 3.34Å; Q90-E92 PolarHBondContact O-N 3.32Å; E92-R96 PolarHBondContact O-N 3.45Å
93	F	97.4	Very high	97.2	Very high	90 Å²	90	63 Å²	63	40%	0.395	29%	0.289	S	S	.	.	H	α-helix	trans	-68.3	-46.2	174.9	178	-120.9	0	0	0	110.7	Q90 A91 R95 R96 E97 E163	Q90-F93 PolarHBondContact O-N 3.12Å; Q90-F93 VanDerWaalsContact O-N 3.09Å; A91-F93 VanDerWaalsContact C-N 3.34Å; A91-F93 PolarHBondContact O-N 3.19Å; F93-R95 VanDerWaalsContact C-N 3.29Å; F93-R95 PolarHBondContact O-N 2.95Å; F93-R96 WeakPolarHBondContact O-CB 3.45Å; F93-R96 PolarHBondContact O-N 3.11Å; F93-R96 VanDerWaalsContact O-N 3.1Å; F93-E97 HydrophobicContact CE1-CG 4.47Å; F93-E97 HydrophobicContact CE2-CG 4.45Å; F93-E97 HydrophobicContact CZ-CG 4.22Å; F93-E97 PolarHBondContact O-N 3.41Å; F93-E163 HydrophobicContact CD1-CB 3.58Å; F93-E163 HydrophobicContact CD1-CG 3.58Å; F93-E163 HydrophobicContact CE1-CB 4.18Å; F93-E163 HydrophobicContact CE1-CG 3.69Å
94	G	98	Very high	96.9	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.7	-35.3	175.8	0	0	0	0	0	113.6	Q90 A91 R96 E97 I98 E163	Q90-G94 PolarHBondContact O-N 3.11Å; A91-G94 PolarHBondContact O-N 3.23Å; G94-R96 VanDerWaalsContact C-N 3.31Å; G94-R96 PolarHBondContact O-N 3.02Å; G94-E97 PolarHBondContact O-N 3.32Å; G94-I98 VanDerWaalsContact O-CG1 3.28Å; G94-I98 WeakPolarHBondContact O-CG1 3.5Å; G94-I98 PolarHBondContact O-N 2.85Å; G94-E163 WeakPolarHBondContact CA-O 3.15Å
95	R	98.6	Very high	96.8	Very high	61 Å²	61	66.7 Å²	66.7	23%	0.23	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-42.1	174.4	175.8	54.2	60.7	-167.5	0.7	111.5	A91 F93 E97 I98 E99 E141 S171	A91-R95 WeakPolarHBondContact O-CB 3.43Å; A91-R95 PolarHBondContact O-N 3.05Å; F93-R95 VanDerWaalsContact C-N 3.29Å; F93-R95 PolarHBondContact O-N 2.95Å; R95-E97 PolarHBondContact O-N 3.18Å; R95-I98 PolarHBondContact O-N 3.32Å; R95-E99 WeakPolarHBondContact CD-OE1 3.4Å; R95-E99 WeakPolarHBondContact CG-OE1 3.41Å; R95-E99 WeakPolarHBondContact O-CG 3.36Å; R95-E99 PolarHBondContact O-N 3.36Å; R95-E141 IonicContact CZ-OE1 2.94Å; R95-E141 VanDerWaalsContact CZ-OE1 3.23Å; R95-E141 IonicContact NH1-OE1 3.76Å; R95-E141 PolarHBondContact NH1-OE1 3.43Å; R95-E141 IonicContact NH1-OE2 2.85Å; R95-E141 PolarHBondContact NH1-OE2 3.28Å; R95-E141 IonicContact NH2-OE1 2.79Å; R95-E141 PolarHBondContact NH2-OE1 2.79Å; R95-S171 PolarHBondContact NH2-OG 3.41Å
96	R	98.3	Very high	96.4	Very high	131 Å²	131	69.1 Å²	69.1	49%	0.494	32%	0.321	S	S	.	.	H	α-helix	trans	-63.7	-39.6	176.4	-70.5	-176.7	-80.3	147.8	-9	112.2	E92 F93 G94 I98 E99 I100	E92-R96 PolarHBondContact O-N 3.45Å; F93-R96 WeakPolarHBondContact O-CB 3.45Å; F93-R96 PolarHBondContact O-N 3.11Å; F93-R96 VanDerWaalsContact O-N 3.1Å; G94-R96 VanDerWaalsContact C-N 3.31Å; G94-R96 PolarHBondContact O-N 3.02Å; R96-I98 VanDerWaalsContact C-N 3.35Å; R96-E99 PolarHBondContact O-N 3.38Å; R96-I100 WeakPolarHBondContact O-CG1 3.38Å; R96-I100 PolarHBondContact O-N 3.24Å; R96-I100 VanDerWaalsContact O-N 3.08Å
97	E	96.6	Very high	96.2	Very high	66 Å²	66	66.2 Å²	66.2	31%	0.308	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-40.6	174.4	-64.1	-64.4	103.8	0	0	111.8	F93 G94 R95 I100 A101 A134 V164	F93-E97 HydrophobicContact CE1-CG 4.47Å; F93-E97 HydrophobicContact CE2-CG 4.45Å; F93-E97 HydrophobicContact CZ-CG 4.22Å; F93-E97 PolarHBondContact O-N 3.41Å; G94-E97 PolarHBondContact O-N 3.32Å; R95-E97 PolarHBondContact O-N 3.18Å; E97-I100 PolarHBondContact O-N 2.82Å; E97-A101 PolarHBondContact O-N 3.48Å; E97-A134 HydrophobicContact CB-CB 4.3Å; E97-V164 HydrophobicContact CB-CG2 4.38Å
98	I	98.2	Very high	96.2	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.6	-45.4	175.5	-64.3	166.3	0	0	0	110.6	G94 R95 R96 I100 A101 E102 A137 V138 V164 A167	G94-I98 VanDerWaalsContact O-CG1 3.28Å; G94-I98 WeakPolarHBondContact O-CG1 3.5Å; G94-I98 PolarHBondContact O-N 2.85Å; R95-I98 PolarHBondContact O-N 3.32Å; R96-I98 VanDerWaalsContact C-N 3.35Å; I98-I100 VanDerWaalsContact C-N 3.29Å; I98-I100 PolarHBondContact O-N 3.31Å; I98-A101 CarbonylContact O-C 3.59Å; I98-A101 WeakPolarHBondContact O-CA 3.4Å; I98-A101 WeakPolarHBondContact O-CB 3.48Å; I98-A101 PolarHBondContact O-N 3.46Å; I98-A101 VanDerWaalsContact O-N 3.08Å; I98-E102 HydrophobicContact CG2-CG 4.4Å; I98-E102 WeakPolarHBondContact O-CG 3.35Å; I98-E102 PolarHBondContact O-N 2.66Å; I98-A137 HydrophobicContact CD1-CB 3.62Å; I98-A137 HydrophobicContact CG1-CB 3.71Å; I98-V138 HydrophobicContact CG2-CG2 3.94Å; I98-V164 HydrophobicContact CD1-CG1 4.21Å; I98-V164 HydrophobicContact CG1-CG1 4.18Å; I98-A167 HydrophobicContact CD1-CB 3.69Å
99	E	97.8	Very high	96.2	Very high	97 Å²	97	64.2 Å²	64.2	45%	0.453	30%	0.298	S	S	.	.	H	α-helix	trans	-61.2	-36.8	178.7	-73.7	171.1	-170.3	0	0	112.4	R95 R96 E102 Q103	R95-E99 WeakPolarHBondContact CD-OE1 3.4Å; R95-E99 WeakPolarHBondContact CG-OE1 3.41Å; R95-E99 WeakPolarHBondContact O-CG 3.36Å; R95-E99 PolarHBondContact O-N 3.36Å; R96-E99 PolarHBondContact O-N 3.38Å; E99-E102 PolarHBondContact O-N 3.13Å; E99-Q103 WeakPolarHBondContact O-CG 3.32Å; E99-Q103 PolarHBondContact O-N 3.02Å
100	I	94.9	Very high	96.1	Very high	96 Å²	96	57 Å²	57	49%	0.492	27%	0.272	S	S	.	.	H	α-helix	trans	-63.6	-47.5	171.9	-68.5	166	0	0	0	110.1	R96 E97 I98 E102 Q103 E104	R96-I100 WeakPolarHBondContact O-CG1 3.38Å; R96-I100 PolarHBondContact O-N 3.24Å; R96-I100 VanDerWaalsContact O-N 3.08Å; E97-I100 PolarHBondContact O-N 2.82Å; I98-I100 VanDerWaalsContact C-N 3.29Å; I98-I100 PolarHBondContact O-N 3.31Å; I100-E102 VanDerWaalsContact C-N 3.31Å; I100-E102 PolarHBondContact O-N 3.42Å; I100-Q103 PolarHBondContact O-N 3.3Å; I100-E104 PolarHBondContact O-N 3.14Å
101	A	95.3	Very high	96	Very high	3 Å²	3	53.9 Å²	53.9	3%	0.025	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-37.5	178.5	0	0	0	0	0	112.4	E97 I98 Q103 E104 M105 A134 Q135 V138 T430	E97-A101 PolarHBondContact O-N 3.48Å; I98-A101 CarbonylContact O-C 3.59Å; I98-A101 WeakPolarHBondContact O-CA 3.4Å; I98-A101 WeakPolarHBondContact O-CB 3.48Å; I98-A101 PolarHBondContact O-N 3.46Å; I98-A101 VanDerWaalsContact O-N 3.08Å; A101-Q103 VanDerWaalsContact C-N 3.26Å; A101-Q103 PolarHBondContact O-N 2.85Å; A101-E104 CarbonylContact O-C 3.43Å; A101-E104 PolarHBondContact O-N 2.84Å; A101-E104 VanDerWaalsContact O-N 3.08Å; A101-M105 WeakPolarHBondContact O-CB 3.44Å; A101-M105 VanDerWaalsContact O-CG 3.23Å; A101-M105 WeakPolarHBondContact O-CG 3.43Å; A101-M105 PolarHBondContact O-N 2.95Å; A101-A134 HydrophobicContact CB-CB 3.85Å; A101-Q135 HydrophobicContact CB-CG 4.37Å; A101-V138 HydrophobicContact CB-CG2 3.9Å; A101-T430 HydrophobicContact CB-CG2 4.45Å
102	E	96.8	Very high	96	Very high	42 Å²	42	55 Å²	55	20%	0.196	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-39.1	176.1	-72.4	-169.7	145.8	0	0	112.3	I98 E99 I100 E104 M105 M109 R112 V138	I98-E102 HydrophobicContact CG2-CG 4.4Å; I98-E102 WeakPolarHBondContact O-CG 3.35Å; I98-E102 PolarHBondContact O-N 2.66Å; E99-E102 PolarHBondContact O-N 3.13Å; I100-E102 VanDerWaalsContact C-N 3.31Å; I100-E102 PolarHBondContact O-N 3.42Å; E102-E104 VanDerWaalsContact C-N 3.31Å; E102-E104 PolarHBondContact O-N 3.36Å; E102-M105 PolarHBondContact O-N 2.63Å; E102-M109 HydrophobicContact CB-CG 4.43Å; E102-M109 HydrophobicContact CB-SD 4.11Å; E102-M109 HydrophobicContact CG-SD 3.99Å; E102-M109 WeakPolarHBondContact O-CG 3.48Å; E102-R112 IonicContact OE1-CZ 2.67Å; E102-R112 IonicContact OE1-NH1 3.62Å; E102-R112 PolarHBondContact OE1-NH1 3.14Å; E102-R112 IonicContact OE1-NH2 3.8Å; E102-R112 PolarHBondContact OE1-NH2 3.36Å; E102-V138 HydrophobicContact CG-CG1 4.07Å; E102-V138 HydrophobicContact CG-CG2 3.68Å
103	Q	91.7	Very high	95.9	Very high	158 Å²	158	56.2 Å²	56.2	74%	0.738	26%	0.262	S	S	*	.	H	α-helix	trans	-68.9	-30.9	177.7	-58.8	-58.2	-17.1	0	0	112.6	E99 I100 A101	E99-Q103 WeakPolarHBondContact O-CG 3.32Å; E99-Q103 PolarHBondContact O-N 3.02Å; I100-Q103 PolarHBondContact O-N 3.3Å; A101-Q103 VanDerWaalsContact C-N 3.26Å; A101-Q103 PolarHBondContact O-N 2.85Å
104	E	91.6	Very high	95.7	Very high	102 Å²	102	54.9 Å²	54.9	48%	0.477	25%	0.254	S	S	.	.	H	α-helix	trans	-90.3	-1.7	178	-65.5	-166	153.2	0	0	113.8	I100 A101 E102 P106 T430	I100-E104 PolarHBondContact O-N 3.14Å; A101-E104 CarbonylContact O-C 3.43Å; A101-E104 PolarHBondContact O-N 2.84Å; A101-E104 VanDerWaalsContact O-N 3.08Å; E102-E104 VanDerWaalsContact C-N 3.31Å; E102-E104 PolarHBondContact O-N 3.36Å; E104-P106 VanDerWaalsContact O-CD 3.25Å; E104-P106 WeakPolarHBondContact O-CD 3.5Å; E104-T430 HydrophobicContact CB-CG2 3.42Å; E104-T430 VanDerWaalsContact CB-CG2 3.42Å; E104-T430 WeakPolarHBondContact OE2-CB 3.46Å; E104-T430 PolarHBondContact OE2-OG1 3.4Å
105	M	96.8	Very high	95.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.254	C	S	.	.			trans	-115.8	52.3	175.4	-59.4	178.1	81	0	0	112.5	A101 E102 A107 L108 M109 Q135 V138 T430 A437	A101-M105 WeakPolarHBondContact O-CB 3.44Å; A101-M105 VanDerWaalsContact O-CG 3.23Å; A101-M105 WeakPolarHBondContact O-CG 3.43Å; A101-M105 PolarHBondContact O-N 2.95Å; E102-M105 PolarHBondContact O-N 2.63Å; M105-A107 PolarHBondContact O-N 3.1Å; M105-A107 VanDerWaalsContact O-N 3.13Å; M105-L108 HydrophobicContact CB-CB 4.32Å; M105-L108 HydrophobicContact CE-CD2 3.57Å; M105-L108 PolarHBondContact O-N 3.08Å; M105-L108 VanDerWaalsContact O-N 3.16Å; M105-M109 WeakPolarHBondContact O-CG 3.12Å; M105-M109 PolarHBondContact O-N 3.28Å; M105-M109 VanDerWaalsContact O-N 3.07Å; M105-Q135 HydrophobicContact CE-CB 4.03Å; M105-Q135 HydrophobicContact SD-CB 3.74Å; M105-Q135 HydrophobicContact SD-CG 3.88Å; M105-V138 HydrophobicContact SD-CB 3.74Å; M105-V138 HydrophobicContact SD-CG1 3.87Å; M105-V138 HydrophobicContact SD-CG2 4.01Å; M105-T430 HydrophobicContact CG-CG2 3.34Å; M105-T430 HydrophobicContact SD-CG2 4.08Å; M105-A437 HydrophobicContact CE-CB 3.83Å
106	P	89.2	Confident	95.3	Very high	52 Å²	52	55.9 Å²	55.9	34%	0.338	26%	0.262	S	S	.	.	H	α-helix	trans	-61.5	-29.9	-171.1	25.9	-35.9	0	0	0	113.3	E104 M109 A110 T477	E104-P106 VanDerWaalsContact O-CD 3.25Å; E104-P106 WeakPolarHBondContact O-CD 3.5Å; P106-M109 PolarHBondContact O-N 3.36Å; P106-A110 VanDerWaalsContact O-CB 3.29Å; P106-A110 WeakPolarHBondContact O-CB 3.47Å; P106-A110 PolarHBondContact O-N 3.03Å; P106-T477 WeakPolarHBondContact CG-OG1 3.3Å
107	A	92.8	Very high	95.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-69.5	-43.8	178.5	0	0	0	0	0	112.6	M105 M109 A110 L111 L473 H474	M105-A107 PolarHBondContact O-N 3.1Å; M105-A107 VanDerWaalsContact O-N 3.13Å; A107-M109 VanDerWaalsContact C-N 3.3Å; A107-M109 PolarHBondContact O-N 3.46Å; A107-A110 PolarHBondContact O-N 3.25Å; A107-L111 PolarHBondContact O-N 2.98Å; A107-L473 HydrophobicContact CB-CB 3.74Å; A107-L473 WeakPolarHBondContact CB-O 3.42Å; A107-H474 HydrophobicContact CB-CB 4.49Å; A107-H474 WeakPolarHBondContact CB-CE1 3.33Å; A107-H474 VanDerWaalsContact CB-ND1 3.27Å; A107-H474 WeakPolarHBondContact CB-ND1 3.21Å; A107-H474 WeakPolarHBondContact CB-NE2 3.47Å
108	L	97.2	Very high	95	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-66.4	-36.8	175.3	-174.2	61.8	0	0	0	110.7	M105 L111 R112 V138 L139 T142 A437 A441	M105-L108 HydrophobicContact CB-CB 4.32Å; M105-L108 HydrophobicContact CE-CD2 3.57Å; M105-L108 PolarHBondContact O-N 3.08Å; M105-L108 VanDerWaalsContact O-N 3.16Å; L108-L111 HydrophobicContact CD1-CD2 4.31Å; L108-L111 PolarHBondContact O-N 2.86Å; L108-R112 WeakPolarHBondContact O-CB 3.48Å; L108-R112 PolarHBondContact O-N 3.49Å; L108-V138 HydrophobicContact CD2-CB 4.42Å; L108-V138 HydrophobicContact CD2-CG1 3.77Å; L108-V138 HydrophobicContact CG-CG1 4.5Å; L108-L139 HydrophobicContact CD2-CB 4.4Å; L108-T142 HydrophobicContact CD1-CG2 3.9Å; L108-T142 HydrophobicContact CG-CG2 4.35Å; L108-A437 HydrophobicContact CD2-CB 3.83Å; L108-A441 HydrophobicContact CD1-CB 4.43Å
109	M	97.8	Very high	95	Very high	39 Å²	39	59.1 Å²	59.1	19%	0.192	30%	0.302	C	S	.	.	H	α-helix	trans	-66.2	-38.2	173.3	-65	-52.6	88.6	0	0	112.3	E102 M105 P106 A107 R112 K113 V138	E102-M109 HydrophobicContact CB-CG 4.43Å; E102-M109 HydrophobicContact CB-SD 4.11Å; E102-M109 HydrophobicContact CG-SD 3.99Å; E102-M109 WeakPolarHBondContact O-CG 3.48Å; M105-M109 WeakPolarHBondContact O-CG 3.12Å; M105-M109 PolarHBondContact O-N 3.28Å; M105-M109 VanDerWaalsContact O-N 3.07Å; P106-M109 PolarHBondContact O-N 3.36Å; A107-M109 VanDerWaalsContact C-N 3.3Å; A107-M109 PolarHBondContact O-N 3.46Å; M109-R112 VanDerWaalsContact CE-CZ 3.48Å; M109-R112 WeakPolarHBondContact O-CB 3.39Å; M109-R112 PolarHBondContact O-N 3.37Å; M109-K113 WeakPolarHBondContact O-CB 3.46Å; M109-K113 PolarHBondContact O-N 3.39Å; M109-V138 HydrophobicContact CE-CG1 3.14Å; M109-V138 HydrophobicContact SD-CG1 4.21Å
110	A	95.4	Very high	95	Very high	31 Å²	31	55.2 Å²	55.2	26%	0.256	29%	0.285	S	S	.	.	H	α-helix	trans	-64.9	-43.5	173.3	0	0	0	0	0	111.6	P106 A107 K113 R114 L473	P106-A110 VanDerWaalsContact O-CB 3.29Å; P106-A110 WeakPolarHBondContact O-CB 3.47Å; P106-A110 PolarHBondContact O-N 3.03Å; A107-A110 PolarHBondContact O-N 3.25Å; A110-K113 PolarHBondContact O-N 3.18Å; A110-R114 WeakPolarHBondContact O-CB 3.41Å; A110-R114 VanDerWaalsContact O-CG 3.26Å; A110-R114 WeakPolarHBondContact O-CG 3.5Å; A110-R114 PolarHBondContact O-N 2.89Å; A110-L473 HydrophobicContact CB-CD2 4.12Å
111	L	95.6	Very high	95.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-49.8	173.1	174.4	62.1	0	0	0	110.8	W18 A107 L108 K113 R114 A115 T438 A441 L442 Y469 L473	W18-L111 HydrophobicContact CE3-CD1 4.36Å; W18-L111 HydrophobicContact CH2-CD1 3.68Å; W18-L111 HydrophobicContact CZ3-CD1 3.43Å; W18-L111 VanDerWaalsContact CZ3-CD1 3.43Å; A107-L111 PolarHBondContact O-N 2.98Å; L108-L111 HydrophobicContact CD1-CD2 4.31Å; L108-L111 PolarHBondContact O-N 2.86Å; L111-K113 PolarHBondContact O-N 3.36Å; L111-R114 PolarHBondContact O-N 2.77Å; L111-A115 HydrophobicContact CD1-CB 4.46Å; L111-A115 WeakPolarHBondContact O-CB 3.25Å; L111-A115 PolarHBondContact O-N 3.09Å; L111-T438 HydrophobicContact CD2-CG2 4.12Å; L111-A441 HydrophobicContact CD2-CB 3.8Å; L111-L442 HydrophobicContact CD1-CD2 4.05Å; L111-L442 HydrophobicContact CD2-CD2 4.35Å; L111-L442 HydrophobicContact CD2-CG 4.3Å; L111-Y469 HydrophobicContact CD1-CE1 4.41Å; L111-L473 HydrophobicContact CB-CD1 4.18Å
112	R	97	Very high	95.3	Very high	36 Å²	36	53.3 Å²	53.3	14%	0.136	28%	0.283	C	S	.	.	H	α-helix	trans	-51.5	-55.9	176.3	-172	-169.7	-72.1	-178.6	-7.3	109.7	E102 L108 M109 R114 A115 Q116 V138 T142 A145	E102-R112 IonicContact OE1-CZ 2.67Å; E102-R112 IonicContact OE1-NH1 3.62Å; E102-R112 PolarHBondContact OE1-NH1 3.14Å; E102-R112 IonicContact OE1-NH2 3.8Å; E102-R112 PolarHBondContact OE1-NH2 3.36Å; L108-R112 WeakPolarHBondContact O-CB 3.48Å; L108-R112 PolarHBondContact O-N 3.49Å; M109-R112 VanDerWaalsContact CE-CZ 3.48Å; M109-R112 WeakPolarHBondContact O-CB 3.39Å; M109-R112 PolarHBondContact O-N 3.37Å; R112-R114 PolarHBondContact O-N 3Å; R112-A115 PolarHBondContact O-N 3.44Å; R112-Q116 WeakPolarHBondContact O-CB 3.19Å; R112-Q116 PolarHBondContact O-N 2.94Å; R112-V138 PolarHBondContact NH2-O 3.18Å; R112-T142 HydrophobicContact CB-CG2 3.84Å; R112-T142 HydrophobicContact CG-CG2 4.15Å; R112-T142 PolarHBondContact NE-OG1 3.42Å; R112-T142 PolarHBondContact NH2-OG1 3.21Å; R112-T142 VanDerWaalsContact NH2-OG1 3.15Å; R112-A145 HydrophobicContact CG-CB 3.94Å
113	K	96.3	Very high	95.4	Very high	176 Å²	176	53.3 Å²	53.3	77%	0.765	30%	0.295	S	S	*	.	H	α-helix	trans	-58.5	-42.6	-178.7	-174.3	-177	178.1	-168.2	0	113	M109 A110 L111	M109-K113 WeakPolarHBondContact O-CB 3.46Å; M109-K113 PolarHBondContact O-N 3.39Å; A110-K113 PolarHBondContact O-N 3.18Å; L111-K113 PolarHBondContact O-N 3.36Å
114	R	93.6	Very high	95.7	Very high	62 Å²	62	45.8 Å²	45.8	23%	0.234	26%	0.259	C	S	.	.	H	α-helix	trans	-69.8	-44.2	-177.6	-73.5	176.2	-173.8	-117.7	4.3	112.3	W18 F22 A110 L111 R112 Y469	W18-R114 HydrophobicContact CE3-CB 4.46Å; F22-R114 VanDerWaalsContact CD2-NH2 3.29Å; A110-R114 WeakPolarHBondContact O-CB 3.41Å; A110-R114 VanDerWaalsContact O-CG 3.26Å; A110-R114 WeakPolarHBondContact O-CG 3.5Å; A110-R114 PolarHBondContact O-N 2.89Å; L111-R114 PolarHBondContact O-N 2.77Å; R112-R114 PolarHBondContact O-N 3Å; R114-Y469 VanDerWaalsContact CD-OH 3.32Å; R114-Y469 WeakPolarHBondContact CD-OH 3.29Å
115	A	94	Very high	96.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-94.4	-8.5	-172.4	0	0	0	0	0	113.8	W18 L111 R112 G117 E118 K119 P120 L146	W18-A115 HydrophobicContact CD2-CB 4.03Å; W18-A115 HydrophobicContact CE3-CB 4.28Å; W18-A115 HydrophobicContact CG-CB 4.48Å; W18-A115 HydrophobicContact CZ2-CB 4.32Å; L111-A115 HydrophobicContact CD1-CB 4.46Å; L111-A115 WeakPolarHBondContact O-CB 3.25Å; L111-A115 PolarHBondContact O-N 3.09Å; R112-A115 PolarHBondContact O-N 3.44Å; A115-G117 VanDerWaalsContact C-N 3.29Å; A115-G117 PolarHBondContact O-N 2.91Å; A115-E118 PolarHBondContact O-N 3.45Å; A115-K119 PolarHBondContact O-N 3.04Å; A115-P120 HydrophobicContact CB-CG 4.18Å; A115-P120 VanDerWaalsContact O-CD 3.24Å; A115-P120 WeakPolarHBondContact O-CD 3.25Å; A115-L146 HydrophobicContact CB-CD2 3.54Å
116	Q	94.4	Very high	96.2	Very high	83 Å²	83	43.6 Å²	43.6	39%	0.388	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-36.6	-175.4	-142.4	178.1	-16.9	0	0	113.4	R112 E118 K119 A145	R112-Q116 WeakPolarHBondContact O-CB 3.19Å; R112-Q116 PolarHBondContact O-N 2.94Å; Q116-E118 VanDerWaalsContact C-N 3.34Å; Q116-E118 PolarHBondContact O-N 3.16Å; Q116-K119 PolarHBondContact O-NZ 2.9Å; Q116-A145 HydrophobicContact CG-CB 4.04Å; Q116-A145 VanDerWaalsContact CG-O 3.24Å; Q116-A145 WeakPolarHBondContact CG-O 3.41Å
117	G	93.8	Very high	96.6	Very high	77 Å²	77	41.1 Å²	41.1	79%	0.794	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-38.7	-176.4	0	0	0	0	0	112.8	A115	A115-G117 VanDerWaalsContact C-N 3.29Å; A115-G117 PolarHBondContact O-N 2.91Å
118	E	95.4	Very high	96.9	Very high	107 Å²	107	41.1 Å²	41.1	50%	0.5	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-17	-176	-66.7	177.7	-145	0	0	113.6	W18 A115 Q116	W18-E118 VanDerWaalsContact CD1-CD 3.46Å; A115-E118 PolarHBondContact O-N 3.45Å; Q116-E118 VanDerWaalsContact C-N 3.34Å; Q116-E118 PolarHBondContact O-N 3.16Å
119	K	97.4	Very high	97	Very high	81 Å²	81	41.1 Å²	41.1	35%	0.352	23%	0.232	S	C	.	.			trans	49	58.8	-178	-64.9	-78.9	-177.1	-82.8	0	112.1	A115 Q116 L121 A122 A145 L146	A115-K119 PolarHBondContact O-N 3.04Å; Q116-K119 PolarHBondContact O-NZ 2.9Å; K119-L121 PolarHBondContact O-N 3.48Å; K119-A122 HydrophobicContact CB-CB 4.19Å; K119-A122 VanDerWaalsContact O-CB 3.26Å; K119-A122 WeakPolarHBondContact O-CB 3.44Å; K119-A122 PolarHBondContact O-N 2.89Å; K119-A145 WeakPolarHBondContact CD-O 3.39Å; K119-A145 VanDerWaalsContact CE-O 3.27Å; K119-A145 WeakPolarHBondContact CE-O 3.36Å; K119-A145 PolarHBondContact NZ-O 2.97Å; K119-L146 CarbonylContact C-O 3.56Å; K119-L146 WeakPolarHBondContact CA-O 3.06Å
120	P	97.8	Very high	97	Very high	15 Å²	15	39.4 Å²	39.4	10%	0.097	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-9.9	-172.4	29.3	-38.1	0	0	0	114.3	A115 L146 I445 Y448 N449	A115-P120 HydrophobicContact CB-CG 4.18Å; A115-P120 VanDerWaalsContact O-CD 3.24Å; A115-P120 WeakPolarHBondContact O-CD 3.25Å; P120-L146 HydrophobicContact CG-CB 4.32Å; P120-L146 HydrophobicContact CG-CD1 4.48Å; P120-L146 HydrophobicContact CG-CD2 4.44Å; P120-I445 HydrophobicContact CB-CG2 4.23Å; P120-I445 HydrophobicContact CG-CD1 4.29Å; P120-I445 HydrophobicContact CG-CG1 4.26Å; P120-Y448 WeakPolarHBondContact O-CD1 3.4Å; P120-N449 PolarHBondContact O-ND2 3.02Å; P120-N449 PolarHBondContact O-OD1 2.79Å
121	L	98.6	Very high	96.9	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	15.9	175	-64.2	176.6	0	0	0	112.3	K119 G123 A124 I126 L143 L146 G147 A148 I445 Y448	K119-L121 PolarHBondContact O-N 3.48Å; L121-G123 PolarHBondContact O-N 3.41Å; L121-G123 VanDerWaalsContact O-N 3.1Å; L121-A124 HydrophobicContact CB-CB 4.02Å; L121-A124 HydrophobicContact CD2-CB 4.28Å; L121-A124 WeakPolarHBondContact O-CB 3.46Å; L121-A124 PolarHBondContact O-N 3.08Å; L121-I126 HydrophobicContact CD1-CD1 4.37Å; L121-L143 HydrophobicContact CD1-CD2 3.67Å; L121-L146 WeakPolarHBondContact CA-O 3.45Å; L121-L146 HydrophobicContact CB-CB 4.35Å; L121-L146 HydrophobicContact CD1-CB 4.11Å; L121-L146 HydrophobicContact CD1-CD1 4.43Å; L121-L146 HydrophobicContact CG-CB 4.32Å; L121-L146 PolarHBondContact N-O 3.1Å; L121-G147 CarbonylContact O-C 3.57Å; L121-G147 VanDerWaalsContact O-C 3.27Å; L121-G147 VanDerWaalsContact O-O 3.13Å; L121-A148 HydrophobicContact CB-CB 3.95Å; L121-A148 HydrophobicContact CD1-CB 4.32Å; L121-A148 PolarHBondContact O-N 3.03Å; L121-I445 HydrophobicContact CD1-CG1 4.24Å; L121-I445 HydrophobicContact CD2-CG1 4.01Å; L121-I445 HydrophobicContact CG-CG1 4Å; L121-Y448 HydrophobicContact CD2-CD1 4.23Å; L121-Y448 HydrophobicContact CD2-CG 4.28Å
122	A	98.6	Very high	96.9	Very high	57 Å²	57	39.7 Å²	39.7	47%	0.471	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	117.9	174.7	0	0	0	0	0	111	K119 G147 Y448	K119-A122 HydrophobicContact CB-CB 4.19Å; K119-A122 VanDerWaalsContact O-CB 3.26Å; K119-A122 WeakPolarHBondContact O-CB 3.44Å; K119-A122 PolarHBondContact O-N 2.89Å; A122-G147 WeakPolarHBondContact CA-O 3.48Å; A122-Y448 WeakPolarHBondContact O-CE1 3.45Å; A122-Y448 PolarHBondContact O-OH 2.9Å
123	G	98.1	Very high	96.9	Very high	43 Å²	43	39.2 Å²	39.2	44%	0.443	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	-5.6	-176.7	0	0	0	0	0	114.9	L121 K125 N202 Y448	L121-G123 PolarHBondContact O-N 3.41Å; L121-G123 VanDerWaalsContact O-N 3.1Å; G123-K125 PolarHBondContact O-N 3.49Å; G123-N202 PolarHBondContact O-ND2 3.22Å; G123-Y448 WeakPolarHBondContact CA-OH 3.49Å
124	A	98.8	Very high	96.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.187	C	C	.	.			trans	-67.1	132.1	169.1	0	0	0	0	0	109.5	L121 I126 A148 Q149 Y448	L121-A124 HydrophobicContact CB-CB 4.02Å; L121-A124 HydrophobicContact CD2-CB 4.28Å; L121-A124 WeakPolarHBondContact O-CB 3.46Å; L121-A124 PolarHBondContact O-N 3.08Å; A124-I126 HydrophobicContact CB-CD1 4.42Å; A124-I126 HydrophobicContact CB-CG1 4.18Å; A124-A148 HydrophobicContact CB-CB 4.18Å; A124-A148 WeakPolarHBondContact O-CA 3.46Å; A124-Q149 PolarHBondContact O-N 2.85Å; A124-Y448 HydrophobicContact CB-CD1 4.48Å; A124-Y448 HydrophobicContact CB-CD2 3.9Å; A124-Y448 HydrophobicContact CB-CE1 4.39Å; A124-Y448 HydrophobicContact CB-CE2 3.82Å; A124-Y448 HydrophobicContact CB-CG 4.24Å; A124-Y448 PolarHBondContact N-OH 3.33Å
125	K	98.8	Very high	97	Very high	56 Å²	56	29.3 Å²	29.3	24%	0.243	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	92.5	177.8	-73.1	-174.2	176.9	-174.7	0	106.8	G123 Q149 W199 Q200 P201 N202 M203	G123-K125 PolarHBondContact O-N 3.49Å; K125-Q149 CarbonylContact C-O 3.59Å; K125-Q149 WeakPolarHBondContact CA-O 3.26Å; K125-Q149 HydrophobicContact CG-CB 4.48Å; K125-W199 HydrophobicContact CB-CH2 4.04Å; K125-W199 HydrophobicContact CB-CZ2 3.45Å; K125-W199 VanDerWaalsContact CB-CZ2 3.45Å; K125-W199 HydrophobicContact CD-CD2 4.3Å; K125-W199 HydrophobicContact CD-CG 4.36Å; K125-W199 HydrophobicContact CD-CZ2 4.41Å; K125-W199 HydrophobicContact CG-CZ2 3.97Å; K125-Q200 WeakPolarHBondContact CD-O 3.46Å; K125-P201 WeakPolarHBondContact O-CA 3.45Å; K125-N202 PolarHBondContact N-OD1 2.99Å; K125-N202 PolarHBondContact O-N 3.17Å; K125-N202 PolarHBondContact O-OD1 2.84Å; K125-M203 PolarHBondContact O-N 3.26Å; K125-M203 VanDerWaalsContact O-N 3.13Å
126	I	98.9	Very high	97.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.5	-169	-53.5	173.7	0	0	0	108.7	L121 A124 L143 A148 Q149 C150 R151 W152 M203 L205 L444	L121-I126 HydrophobicContact CD1-CD1 4.37Å; A124-I126 HydrophobicContact CB-CD1 4.42Å; A124-I126 HydrophobicContact CB-CG1 4.18Å; I126-L143 HydrophobicContact CD1-CB 4.37Å; I126-L143 HydrophobicContact CD1-CD1 4.07Å; I126-L143 HydrophobicContact CD1-CD2 4.44Å; I126-A148 HydrophobicContact CD1-CB 3.52Å; I126-A148 HydrophobicContact CG1-CB 4.15Å; I126-Q149 PolarHBondContact N-O 3.01Å; I126-C150 WeakPolarHBondContact O-CA 3.45Å; I126-R151 PolarHBondContact O-N 3.29Å; I126-W152 HydrophobicContact CG2-CZ3 4.49Å; I126-M203 WeakPolarHBondContact CA-O 3.31Å; I126-M203 HydrophobicContact CB-CB 4.5Å; I126-M203 HydrophobicContact CG1-CB 3.94Å; I126-L205 HydrophobicContact CG2-CB 4.37Å; I126-L444 HydrophobicContact CD1-CD1 4.18Å
127	V	98.9	Very high	97.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	127	160.2	-77.1	0	0	0	0	108.4	R151 V194 W199 P201 M203 I204 L205 L211 I215	V127-R151 WeakPolarHBondContact CA-O 3.27Å; V127-V194 HydrophobicContact CG1-CG2 4.26Å; V127-W199 HydrophobicContact CG1-CH2 3.82Å; V127-W199 HydrophobicContact CG1-CZ3 3.75Å; V127-P201 HydrophobicContact CB-CB 4.39Å; V127-P201 HydrophobicContact CG1-CB 3.85Å; V127-P201 HydrophobicContact CG1-CG 4.22Å; V127-P201 HydrophobicContact CG2-CB 3.71Å; V127-P201 HydrophobicContact CG2-CG 4.2Å; V127-M203 WeakPolarHBondContact CG2-O 3.46Å; V127-M203 PolarHBondContact N-O 3.37Å; V127-M203 VanDerWaalsContact N-O 3.11Å; V127-I204 HydrophobicContact CG2-CG1 3.86Å; V127-L205 PolarHBondContact O-N 3.04Å; V127-L211 HydrophobicContact CB-CD1 4.37Å; V127-L211 HydrophobicContact CB-CD2 4.02Å; V127-L211 HydrophobicContact CG2-CD1 4.5Å; V127-L211 HydrophobicContact CG2-CD2 3.9Å; V127-L211 HydrophobicContact CG2-CG 4.46Å; V127-L211 WeakPolarHBondContact O-CD2 3.25Å; V127-I215 HydrophobicContact CG2-CD1 4Å
128	G	98.8	Very high	97.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.7	178.5	0	0	0	0	0	112	R151 W152 A153 L205	G128-R151 PolarHBondContact N-O 3.36Å; G128-W152 WeakPolarHBondContact O-CA 3.38Å; G128-A153 PolarHBondContact O-N 2.93Å; G128-L205 CarbonylContact C-O 3.58Å; G128-L205 VanDerWaalsContact CA-O 3.29Å; G128-L205 WeakPolarHBondContact CA-O 3.31Å
129	C	98.4	Very high	97.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	93.3	170.6	-176.7	0	0	0	0	109.1	A153 L205 D207 L211	C129-A153 WeakPolarHBondContact CA-O 3.45Å; C129-L205 PolarHBondContact N-O 3.17Å; C129-D207 PolarHBondContact O-N 3.15Å; C129-L211 HydrophobicContact CB-CB 3.45Å; C129-L211 VanDerWaalsContact CB-CB 3.45Å; C129-L211 HydrophobicContact CB-CD1 4.35Å; C129-L211 HydrophobicContact CB-CD2 3.74Å; C129-L211 HydrophobicContact CB-CG 4.05Å
130	T	97.4	Very high	97.8	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.018	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	176.4	-177	67.8	0	0	0	0	109.3	I132 T136 W152 A153 A154 C155 L205 D207	T130-I132 PolarHBondContact O-N 2.92Å; T130-T136 VanDerWaalsContact OG1-CG2 3.31Å; T130-T136 WeakPolarHBondContact OG1-CG2 3.48Å; T130-W152 HydrophobicContact CG2-CZ2 4.14Å; T130-W152 PolarHBondContact OG1-NE1 3Å; T130-A153 PolarHBondContact N-O 2.9Å; T130-A154 CarbonylContact O-C 3.38Å; T130-A154 VanDerWaalsContact O-CA 3.27Å; T130-A154 WeakPolarHBondContact O-CA 3.41Å; T130-C155 PolarHBondContact O-N 3.36Å; T130-L205 HydrophobicContact CG2-CD2 4.42Å; T130-L205 HydrophobicContact CG2-CG 4.34Å; T130-D207 HydrophobicContact CG2-CB 4.09Å
131	H	94.1	Very high	97.9	Very high	37 Å²	37	14.4 Å²	14.4	17%	0.171	9%	0.092	C	C	.	.			trans	-60	136.8	169.8	-63	-60.7	0	0	0	110.9	T133 T136 C155 S159 D207	H131-T133 HydrophobicContact CB-CG2 4.17Å; H131-T133 PolarHBondContact O-N 3.34Å; H131-T136 WeakPolarHBondContact O-CB 3.4Å; H131-T136 WeakPolarHBondContact O-CG2 3.35Å; H131-T136 PolarHBondContact O-OG1 2.81Å; H131-C155 VanDerWaalsContact CE1-SG 3.55Å; H131-C155 PolarHBondContact N-SG 3.16Å; H131-C155 PolarHBondContact ND1-SG 3.02Å; H131-S159 WeakPolarHBondContact ND1-CB 3.28Å; H131-S159 PolarHBondContact ND1-OG 3.19Å; H131-D207 IonicContact CD2-OD2 3.76Å; H131-D207 IonicContact NE2-OD2 2.69Å
132	I	96.6	Very high	97.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.092	C	C	.	.			trans	-93.2	90.9	176.5	-53.9	-63	0	0	0	109.7	T130 W152 A154 T160 L161 A165 L168 V175 A177	T130-I132 PolarHBondContact O-N 2.92Å; I132-W152 HydrophobicContact CD1-CG 4.16Å; I132-A154 HydrophobicContact CG1-CB 4.01Å; I132-T160 HydrophobicContact CB-CG2 3.96Å; I132-T160 HydrophobicContact CG2-CG2 4.13Å; I132-L161 PolarHBondContact O-N 3.08Å; I132-A165 HydrophobicContact CG2-CB 3.97Å; I132-L168 HydrophobicContact CG2-CD1 4.43Å; I132-V175 HydrophobicContact CD1-CG2 4.33Å; I132-A177 HydrophobicContact CD1-CB 4.48Å; I132-A177 HydrophobicContact CG1-CB 3.65Å
133	T	95.5	Very high	97.9	Very high	26 Å²	26	11.7 Å²	11.7	16%	0.16	7%	0.069	C	C	.	.	S	Bend	trans	-125.2	170.6	178.9	69.1	0	0	0	0	110.8	H131 Q135 T136 A137 V164	H131-T133 HydrophobicContact CB-CG2 4.17Å; H131-T133 PolarHBondContact O-N 3.34Å; T133-Q135 PolarHBondContact O-N 3.38Å; T133-Q135 PolarHBondContact OG1-N 3.49Å; T133-Q135 PolarHBondContact OG1-OE1 3.31Å; T133-Q135 VanDerWaalsContact OG1-OE1 3.05Å; T133-T136 PolarHBondContact O-N 2.89Å; T133-T136 VanDerWaalsContact O-N 3.15Å; T133-T136 PolarHBondContact OG1-N 2.64Å; T133-T136 PolarHBondContact OG1-OG1 3.26Å; T133-A137 PolarHBondContact O-N 2.99Å; T133-V164 WeakPolarHBondContact O-CG1 3.41Å
134	A	96.4	Very high	97.9	Very high	5 Å²	5	10.9 Å²	10.9	4%	0.041	6%	0.061	C	C	.	.	H	α-helix	trans	-55.1	-38.9	176.6	0	0	0	0	0	111.4	E97 A101 A137 V138 V164	E97-A134 HydrophobicContact CB-CB 4.3Å; A101-A134 HydrophobicContact CB-CB 3.85Å; A134-A137 WeakPolarHBondContact O-CB 3.06Å; A134-A137 PolarHBondContact O-N 3.09Å; A134-V138 WeakPolarHBondContact O-CG2 3.41Å; A134-V138 PolarHBondContact O-N 3.48Å; A134-V164 HydrophobicContact CB-CG2 4.09Å
135	Q	96.7	Very high	97.9	Very high	25 Å²	25	11.8 Å²	11.8	12%	0.117	7%	0.069	C	C	.	.	H	α-helix	trans	-68.1	-40.2	179	-59.7	81.3	6.6	0	0	112.4	A101 M105 T133 A137 V138 L139 T430 L433	A101-Q135 HydrophobicContact CB-CG 4.37Å; M105-Q135 HydrophobicContact CE-CB 4.03Å; M105-Q135 HydrophobicContact SD-CB 3.74Å; M105-Q135 HydrophobicContact SD-CG 3.88Å; T133-Q135 PolarHBondContact O-N 3.38Å; T133-Q135 PolarHBondContact OG1-N 3.49Å; T133-Q135 PolarHBondContact OG1-OE1 3.31Å; T133-Q135 VanDerWaalsContact OG1-OE1 3.05Å; Q135-A137 VanDerWaalsContact C-N 3.3Å; Q135-A137 PolarHBondContact O-N 3.03Å; Q135-V138 WeakPolarHBondContact O-CB 3.42Å; Q135-V138 PolarHBondContact O-N 3.28Å; Q135-L139 PolarHBondContact O-N 3.06Å; Q135-T430 HydrophobicContact CG-CG2 3.67Å; Q135-T430 PolarHBondContact NE2-OG1 3.43Å; Q135-L433 HydrophobicContact CB-CB 3.91Å; Q135-L433 HydrophobicContact CB-CD1 3.79Å; Q135-L433 HydrophobicContact CB-CG 4.48Å; Q135-L433 HydrophobicContact CG-CB 3.98Å; Q135-L433 HydrophobicContact CG-CD1 3.57Å; Q135-L433 HydrophobicContact CG-CG 4.42Å
136	T	97.6	Very high	97.9	Very high	19 Å²	19	9.1 Å²	9.1	12%	0.117	6%	0.057	C	C	.	.	H	α-helix	trans	-63.6	-37.7	171.8	-59.8	0	0	0	0	111.2	T130 H131 T133 V138 L139 M140 W152	T130-T136 VanDerWaalsContact OG1-CG2 3.31Å; T130-T136 WeakPolarHBondContact OG1-CG2 3.48Å; H131-T136 WeakPolarHBondContact O-CB 3.4Å; H131-T136 WeakPolarHBondContact O-CG2 3.35Å; H131-T136 PolarHBondContact O-OG1 2.81Å; T133-T136 PolarHBondContact O-N 2.89Å; T133-T136 VanDerWaalsContact O-N 3.15Å; T133-T136 PolarHBondContact OG1-N 2.64Å; T133-T136 PolarHBondContact OG1-OG1 3.26Å; T136-V138 VanDerWaalsContact C-N 3.32Å; T136-V138 PolarHBondContact O-N 2.64Å; T136-L139 WeakPolarHBondContact O-CA 3.44Å; T136-L139 WeakPolarHBondContact O-CB 3.47Å; T136-L139 PolarHBondContact O-N 2.92Å; T136-L139 VanDerWaalsContact O-N 3.15Å; T136-M140 HydrophobicContact CG2-CG 4.31Å; T136-M140 HydrophobicContact CG2-SD 4.12Å; T136-M140 VanDerWaalsContact O-CG 3.31Å; T136-M140 WeakPolarHBondContact O-CG 3.44Å; T136-M140 PolarHBondContact O-N 3.28Å; T136-W152 HydrophobicContact CG2-CZ2 4.1Å
137	A	98.6	Very high	97.9	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.8	-41.1	174.5	0	0	0	0	0	111.9	I98 T133 A134 Q135 L139 M140 E141 V164 L168	I98-A137 HydrophobicContact CD1-CB 3.62Å; I98-A137 HydrophobicContact CG1-CB 3.71Å; T133-A137 PolarHBondContact O-N 2.99Å; A134-A137 WeakPolarHBondContact O-CB 3.06Å; A134-A137 PolarHBondContact O-N 3.09Å; Q135-A137 VanDerWaalsContact C-N 3.3Å; Q135-A137 PolarHBondContact O-N 3.03Å; A137-L139 VanDerWaalsContact C-N 3.3Å; A137-L139 PolarHBondContact O-N 2.82Å; A137-M140 PolarHBondContact O-N 3.49Å; A137-E141 WeakPolarHBondContact O-CB 3.34Å; A137-E141 WeakPolarHBondContact O-CG 3.12Å; A137-E141 PolarHBondContact O-N 3.31Å; A137-V164 HydrophobicContact CB-CG1 3.59Å; A137-L168 HydrophobicContact CB-CD1 3.84Å; A137-L168 HydrophobicContact CB-CD2 3.78Å; A137-L168 HydrophobicContact CB-CG 3.85Å
138	V	98.8	Very high	97.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.3	-39.1	173.2	-178.7	0	0	0	0	111.7	I98 A101 E102 M105 L108 M109 R112 A134 Q135 T136 T142	I98-V138 HydrophobicContact CG2-CG2 3.94Å; A101-V138 HydrophobicContact CB-CG2 3.9Å; E102-V138 HydrophobicContact CG-CG1 4.07Å; E102-V138 HydrophobicContact CG-CG2 3.68Å; M105-V138 HydrophobicContact SD-CB 3.74Å; M105-V138 HydrophobicContact SD-CG1 3.87Å; M105-V138 HydrophobicContact SD-CG2 4.01Å; L108-V138 HydrophobicContact CD2-CB 4.42Å; L108-V138 HydrophobicContact CD2-CG1 3.77Å; L108-V138 HydrophobicContact CG-CG1 4.5Å; M109-V138 HydrophobicContact CE-CG1 3.14Å; M109-V138 HydrophobicContact SD-CG1 4.21Å; R112-V138 PolarHBondContact NH2-O 3.18Å; A134-V138 WeakPolarHBondContact O-CG2 3.41Å; A134-V138 PolarHBondContact O-N 3.48Å; Q135-V138 WeakPolarHBondContact O-CB 3.42Å; Q135-V138 PolarHBondContact O-N 3.28Å; T136-V138 VanDerWaalsContact C-N 3.32Å; T136-V138 PolarHBondContact O-N 2.64Å; V138-T142 WeakPolarHBondContact O-CB 3.32Å; V138-T142 PolarHBondContact O-N 3.28Å; V138-T142 PolarHBondContact O-OG1 2.83Å
139	L	98.8	Very high	97.9	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.016	9%	0.094	C	C	.	.	H	α-helix	trans	-61.6	-53	171.4	173.8	60.2	0	0	0	111.6	L108 Q135 T136 A137 E141 T142 L143 L205 A437 Q440 A441	L108-L139 HydrophobicContact CD2-CB 4.4Å; Q135-L139 PolarHBondContact O-N 3.06Å; T136-L139 WeakPolarHBondContact O-CA 3.44Å; T136-L139 WeakPolarHBondContact O-CB 3.47Å; T136-L139 PolarHBondContact O-N 2.92Å; T136-L139 VanDerWaalsContact O-N 3.15Å; A137-L139 VanDerWaalsContact C-N 3.3Å; A137-L139 PolarHBondContact O-N 2.82Å; L139-E141 VanDerWaalsContact C-N 3.34Å; L139-E141 PolarHBondContact O-N 2.91Å; L139-T142 CarbonylContact O-C 3.55Å; L139-T142 WeakPolarHBondContact O-CA 3.49Å; L139-T142 VanDerWaalsContact O-CB 3.31Å; L139-T142 WeakPolarHBondContact O-CB 3.31Å; L139-T142 PolarHBondContact O-N 2.87Å; L139-L143 HydrophobicContact CD1-CD1 4.25Å; L139-L143 HydrophobicContact CD1-CD2 4.27Å; L139-L143 HydrophobicContact CD1-CG 4.06Å; L139-L143 HydrophobicContact CG-CD1 4.24Å; L139-L143 HydrophobicContact CG-CG 4.45Å; L139-L143 WeakPolarHBondContact O-CG 3.45Å; L139-L143 PolarHBondContact O-N 3.01Å; L139-L205 HydrophobicContact CD2-CD2 3.88Å; L139-A437 HydrophobicContact CB-CB 4.08Å; L139-A437 HydrophobicContact CD1-CB 4.2Å; L139-A437 WeakPolarHBondContact CD1-O 3.25Å; L139-A437 HydrophobicContact CD2-CB 4.24Å; L139-A437 HydrophobicContact CG-CB 4.4Å; L139-Q440 VanDerWaalsContact CD2-OE1 3.25Å; L139-A441 HydrophobicContact CD1-CB 4.1Å
140	M	98.8	Very high	97.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.3	-45.6	-179.3	-69.5	172	66.4	0	0	112.1	T136 A137 T142 L143 G144 W152 L168 F173	T136-M140 HydrophobicContact CG2-CG 4.31Å; T136-M140 HydrophobicContact CG2-SD 4.12Å; T136-M140 VanDerWaalsContact O-CG 3.31Å; T136-M140 WeakPolarHBondContact O-CG 3.44Å; T136-M140 PolarHBondContact O-N 3.28Å; A137-M140 PolarHBondContact O-N 3.49Å; M140-T142 VanDerWaalsContact C-N 3.29Å; M140-T142 PolarHBondContact O-N 2.57Å; M140-L143 PolarHBondContact O-N 2.9Å; M140-G144 PolarHBondContact O-N 3.49Å; M140-W152 HydrophobicContact CE-CB 3.65Å; M140-W152 HydrophobicContact CE-CD2 3.91Å; M140-W152 HydrophobicContact CE-CE3 3.89Å; M140-W152 HydrophobicContact CE-CG 3.87Å; M140-W152 HydrophobicContact CG-CD2 3.81Å; M140-W152 HydrophobicContact CG-CE3 3.64Å; M140-W152 HydrophobicContact CG-CH2 3.83Å; M140-W152 HydrophobicContact CG-CZ2 4.04Å; M140-W152 HydrophobicContact CG-CZ3 3.66Å; M140-W152 HydrophobicContact SD-CB 4.2Å; M140-W152 HydrophobicContact SD-CD2 3.66Å; M140-W152 HydrophobicContact SD-CE3 3.99Å; M140-W152 HydrophobicContact SD-CG 3.81Å; M140-L168 HydrophobicContact CB-CD2 4.21Å; M140-L168 HydrophobicContact CE-CD1 3.93Å; M140-L168 HydrophobicContact CE-CD2 3.95Å; M140-L168 HydrophobicContact CE-CG 4.42Å; M140-L168 HydrophobicContact SD-CD1 3.55Å; M140-L168 VanDerWaalsContact SD-CD1 3.55Å; M140-L168 HydrophobicContact SD-CD2 4.02Å; M140-L168 HydrophobicContact SD-CG 4.42Å; M140-F173 HydrophobicContact CB-CE1 4.49Å; M140-F173 HydrophobicContact CE-CB 4.14Å; M140-F173 HydrophobicContact CE-CD1 4.12Å; M140-F173 HydrophobicContact CE-CG 4.16Å
141	E	98.8	Very high	98	Very high	28 Å²	28	16 Å²	16	13%	0.131	10%	0.097	C	C	.	.	H	α-helix	trans	-66.2	-32.8	176.5	-70.8	-172.5	152.6	0	0	112.1	R95 A137 L139 A145 F173	R95-E141 IonicContact CZ-OE1 2.94Å; R95-E141 VanDerWaalsContact CZ-OE1 3.23Å; R95-E141 IonicContact NH1-OE1 3.76Å; R95-E141 PolarHBondContact NH1-OE1 3.43Å; R95-E141 IonicContact NH1-OE2 2.85Å; R95-E141 PolarHBondContact NH1-OE2 3.28Å; R95-E141 IonicContact NH2-OE1 2.79Å; R95-E141 PolarHBondContact NH2-OE1 2.79Å; A137-E141 WeakPolarHBondContact O-CB 3.34Å; A137-E141 WeakPolarHBondContact O-CG 3.12Å; A137-E141 PolarHBondContact O-N 3.31Å; L139-E141 VanDerWaalsContact C-N 3.34Å; L139-E141 PolarHBondContact O-N 2.91Å; E141-A145 VanDerWaalsContact O-CB 3.25Å; E141-A145 WeakPolarHBondContact O-CB 3.22Å; E141-A145 PolarHBondContact O-N 3.22Å; E141-F173 HydrophobicContact CG-CE2 3.92Å; E141-F173 HydrophobicContact CG-CZ 4.29Å
142	T	98.8	Very high	98.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65	-49.2	171.3	-60.1	0	0	0	0	110.9	L108 R112 V138 L139 M140 G144 A145 L146	L108-T142 HydrophobicContact CD1-CG2 3.9Å; L108-T142 HydrophobicContact CG-CG2 4.35Å; R112-T142 HydrophobicContact CB-CG2 3.84Å; R112-T142 HydrophobicContact CG-CG2 4.15Å; R112-T142 PolarHBondContact NE-OG1 3.42Å; R112-T142 PolarHBondContact NH2-OG1 3.21Å; R112-T142 VanDerWaalsContact NH2-OG1 3.15Å; V138-T142 WeakPolarHBondContact O-CB 3.32Å; V138-T142 PolarHBondContact O-N 3.28Å; V138-T142 PolarHBondContact O-OG1 2.83Å; L139-T142 CarbonylContact O-C 3.55Å; L139-T142 WeakPolarHBondContact O-CA 3.49Å; L139-T142 VanDerWaalsContact O-CB 3.31Å; L139-T142 WeakPolarHBondContact O-CB 3.31Å; L139-T142 PolarHBondContact O-N 2.87Å; M140-T142 VanDerWaalsContact C-N 3.29Å; M140-T142 PolarHBondContact O-N 2.57Å; T142-G144 VanDerWaalsContact C-N 3.3Å; T142-G144 PolarHBondContact O-N 2.76Å; T142-A145 WeakPolarHBondContact O-CB 3.47Å; T142-A145 PolarHBondContact O-N 3.34Å; T142-A145 VanDerWaalsContact O-N 3.1Å; T142-L146 HydrophobicContact CG2-CD1 4.21Å; T142-L146 HydrophobicContact CG2-CG 4.35Å; T142-L146 VanDerWaalsContact O-CG 3.26Å; T142-L146 WeakPolarHBondContact O-CG 3.43Å; T142-L146 PolarHBondContact O-N 3.17Å
143	L	98.8	Very high	98.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.3	-43	177.8	-62.2	176.3	0	0	0	111.6	L121 I126 L139 M140 L146 G147 A148 W152 A441 L444	L121-L143 HydrophobicContact CD1-CD2 3.67Å; I126-L143 HydrophobicContact CD1-CB 4.37Å; I126-L143 HydrophobicContact CD1-CD1 4.07Å; I126-L143 HydrophobicContact CD1-CD2 4.44Å; L139-L143 HydrophobicContact CD1-CD1 4.25Å; L139-L143 HydrophobicContact CD1-CD2 4.27Å; L139-L143 HydrophobicContact CD1-CG 4.06Å; L139-L143 HydrophobicContact CG-CD1 4.24Å; L139-L143 HydrophobicContact CG-CG 4.45Å; L139-L143 WeakPolarHBondContact O-CG 3.45Å; L139-L143 PolarHBondContact O-N 3.01Å; M140-L143 PolarHBondContact O-N 2.9Å; L143-L146 CarbonylContact O-C 3.6Å; L143-L146 PolarHBondContact O-N 2.8Å; L143-G147 PolarHBondContact O-N 2.9Å; L143-A148 HydrophobicContact CB-CB 4.28Å; L143-A148 VanDerWaalsContact O-CB 3.32Å; L143-A148 WeakPolarHBondContact O-CB 3.28Å; L143-A148 PolarHBondContact O-N 2.87Å; L143-W152 HydrophobicContact CD1-CH2 3.96Å; L143-W152 HydrophobicContact CD1-CZ3 4.07Å; L143-A441 HydrophobicContact CD2-CB 4.24Å; L143-L444 HydrophobicContact CD1-CD1 3.86Å; L143-L444 HydrophobicContact CD2-CD1 3.69Å; L143-L444 HydrophobicContact CG-CD1 4.45Å
144	G	98.6	Very high	98.3	Very high	26 Å²	26	13 Å²	13	27%	0.268	8%	0.082	S	C	.	.	H	α-helix	trans	-61.1	-45.3	173.1	0	0	0	0	0	112.8	M140 T142 L146 G147	M140-G144 PolarHBondContact O-N 3.49Å; T142-G144 VanDerWaalsContact C-N 3.3Å; T142-G144 PolarHBondContact O-N 2.76Å; G144-L146 PolarHBondContact O-N 2.77Å; G144-G147 PolarHBondContact O-N 3.47Å
145	A	98.6	Very high	98.1	Very high	20 Å²	20	13.6 Å²	13.6	17%	0.165	9%	0.085	C	C	.	.	H	α-helix	trans	-62.1	-29.7	176.4	0	0	0	0	0	113	R112 Q116 K119 E141 T142 G147	R112-A145 HydrophobicContact CG-CB 3.94Å; Q116-A145 HydrophobicContact CG-CB 4.04Å; Q116-A145 VanDerWaalsContact CG-O 3.24Å; Q116-A145 WeakPolarHBondContact CG-O 3.41Å; K119-A145 WeakPolarHBondContact CD-O 3.39Å; K119-A145 VanDerWaalsContact CE-O 3.27Å; K119-A145 WeakPolarHBondContact CE-O 3.36Å; K119-A145 PolarHBondContact NZ-O 2.97Å; E141-A145 VanDerWaalsContact O-CB 3.25Å; E141-A145 WeakPolarHBondContact O-CB 3.22Å; E141-A145 PolarHBondContact O-N 3.22Å; T142-A145 WeakPolarHBondContact O-CB 3.47Å; T142-A145 PolarHBondContact O-N 3.34Å; T142-A145 VanDerWaalsContact O-N 3.1Å; A145-G147 VanDerWaalsContact C-N 3.29Å
146	L	98.5	Very high	97.6	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	0.5	173.7	-61.1	-173.2	0	0	0	113.7	A115 K119 P120 L121 T142 L143 G144 I445	A115-L146 HydrophobicContact CB-CD2 3.54Å; K119-L146 CarbonylContact C-O 3.56Å; K119-L146 WeakPolarHBondContact CA-O 3.06Å; P120-L146 HydrophobicContact CG-CB 4.32Å; P120-L146 HydrophobicContact CG-CD1 4.48Å; P120-L146 HydrophobicContact CG-CD2 4.44Å; L121-L146 WeakPolarHBondContact CA-O 3.45Å; L121-L146 HydrophobicContact CB-CB 4.35Å; L121-L146 HydrophobicContact CD1-CB 4.11Å; L121-L146 HydrophobicContact CD1-CD1 4.43Å; L121-L146 HydrophobicContact CG-CB 4.32Å; L121-L146 PolarHBondContact N-O 3.1Å; T142-L146 HydrophobicContact CG2-CD1 4.21Å; T142-L146 HydrophobicContact CG2-CG 4.35Å; T142-L146 VanDerWaalsContact O-CG 3.26Å; T142-L146 WeakPolarHBondContact O-CG 3.43Å; T142-L146 PolarHBondContact O-N 3.17Å; L143-L146 CarbonylContact O-C 3.6Å; L143-L146 PolarHBondContact O-N 2.8Å; G144-L146 PolarHBondContact O-N 2.77Å; L146-I445 HydrophobicContact CD1-CD1 3.83Å; L146-I445 HydrophobicContact CD1-CG1 4.49Å
147	G	98.4	Very high	97	Very high	22 Å²	22	15 Å²	15	23%	0.227	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.6	2.7	170.2	0	0	0	0	0	115.9	L121 A122 L143 G144 A145	L121-G147 CarbonylContact O-C 3.57Å; L121-G147 VanDerWaalsContact O-C 3.27Å; L121-G147 VanDerWaalsContact O-O 3.13Å; A122-G147 WeakPolarHBondContact CA-O 3.48Å; L143-G147 PolarHBondContact O-N 2.9Å; G144-G147 PolarHBondContact O-N 3.47Å; A145-G147 VanDerWaalsContact C-N 3.29Å
148	A	98.8	Very high	96.3	Very high	11 Å²	11	19.6 Å²	19.6	9%	0.091	11%	0.111	C	C	.	.			trans	-76.5	153.5	178.5	0	0	0	0	0	112.6	L121 A124 I126 L143	L121-A148 HydrophobicContact CB-CB 3.95Å; L121-A148 HydrophobicContact CD1-CB 4.32Å; L121-A148 PolarHBondContact O-N 3.03Å; A124-A148 HydrophobicContact CB-CB 4.18Å; A124-A148 WeakPolarHBondContact O-CA 3.46Å; I126-A148 HydrophobicContact CD1-CB 3.52Å; I126-A148 HydrophobicContact CG1-CB 4.15Å; L143-A148 HydrophobicContact CB-CB 4.28Å; L143-A148 VanDerWaalsContact O-CB 3.32Å; L143-A148 WeakPolarHBondContact O-CB 3.28Å; L143-A148 PolarHBondContact O-N 2.87Å
149	Q	98.8	Very high	95.6	Very high	99 Å²	99	20.7 Å²	20.7	46%	0.463	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.2	159.8	-63.1	174	9.5	0	0	107.9	A124 K125 I126	A124-Q149 PolarHBondContact O-N 2.85Å; K125-Q149 CarbonylContact C-O 3.59Å; K125-Q149 WeakPolarHBondContact CA-O 3.26Å; K125-Q149 HydrophobicContact CG-CB 4.48Å; I126-Q149 PolarHBondContact N-O 3.01Å
150	C	98.6	Very high	95.3	Very high	7 Å²	7	20.6 Å²	20.6	5%	0.047	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.5	-174.3	-58.8	0	0	0	0	111.1	I126 W152 F173 P174	I126-C150 WeakPolarHBondContact O-CA 3.45Å; C150-W152 HydrophobicContact CB-CE3 4.25Å; C150-W152 HydrophobicContact CB-CZ3 4.3Å; C150-F173 HydrophobicContact CB-CD1 4.04Å; C150-F173 HydrophobicContact CB-CE1 4.03Å; C150-P174 WeakPolarHBondContact O-CD 3.48Å
151	R	98.8	Very high	95.1	Very high	9 Å²	9	23.5 Å²	23.5	3%	0.034	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.8	166.5	-49	-171.9	89.3	-134.1	6.4	107.6	D82 I126 V127 G128 P174 R192 C193 W199	D82-R151 IonicContact OD1-NH2 2.71Å; D82-R151 PolarHBondContact OD1-NH2 3.24Å; D82-R151 IonicContact OD2-CZ 2.85Å; D82-R151 IonicContact OD2-NE 3.79Å; D82-R151 IonicContact OD2-NH2 2.95Å; D82-R151 PolarHBondContact OD2-NH2 3.29Å; I126-R151 PolarHBondContact O-N 3.29Å; V127-R151 WeakPolarHBondContact CA-O 3.27Å; G128-R151 PolarHBondContact N-O 3.36Å; R151-P174 CarbonylContact C-O 3.35Å; R151-P174 WeakPolarHBondContact CA-O 3.47Å; R151-P174 HydrophobicContact CB-CB 4.27Å; R151-P174 HydrophobicContact CG-CB 4.1Å; R151-P174 HydrophobicContact CG-CG 4.12Å; R151-R192 PolarHBondContact NH1-O 2.69Å; R151-C193 PolarHBondContact NH1-O 2.94Å; R151-C193 PolarHBondContact O-SG 2.84Å; R151-C193 VanDerWaalsContact O-SG 3.36Å; R151-W199 HydrophobicContact CB-CH2 4.46Å; R151-W199 HydrophobicContact CG-CH2 3.86Å; R151-W199 HydrophobicContact CG-CZ2 3.96Å; R151-W199 HydrophobicContact CG-CZ3 4.17Å
152	W	98.8	Very high	95	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.2	-168.4	-132.1	-83.4	0	0	0	113.9	I126 G128 T130 I132 T136 M140 L143 C150 P174 V175 F176 C193 L205	I126-W152 HydrophobicContact CG2-CZ3 4.49Å; G128-W152 WeakPolarHBondContact O-CA 3.38Å; T130-W152 HydrophobicContact CG2-CZ2 4.14Å; T130-W152 PolarHBondContact OG1-NE1 3Å; I132-W152 HydrophobicContact CD1-CG 4.16Å; T136-W152 HydrophobicContact CG2-CZ2 4.1Å; M140-W152 HydrophobicContact CE-CB 3.65Å; M140-W152 HydrophobicContact CE-CD2 3.91Å; M140-W152 HydrophobicContact CE-CE3 3.89Å; M140-W152 HydrophobicContact CE-CG 3.87Å; M140-W152 HydrophobicContact CG-CD2 3.81Å; M140-W152 HydrophobicContact CG-CE3 3.64Å; M140-W152 HydrophobicContact CG-CH2 3.83Å; M140-W152 HydrophobicContact CG-CZ2 4.04Å; M140-W152 HydrophobicContact CG-CZ3 3.66Å; M140-W152 HydrophobicContact SD-CB 4.2Å; M140-W152 HydrophobicContact SD-CD2 3.66Å; M140-W152 HydrophobicContact SD-CE3 3.99Å; M140-W152 HydrophobicContact SD-CG 3.81Å; L143-W152 HydrophobicContact CD1-CH2 3.96Å; L143-W152 HydrophobicContact CD1-CZ3 4.07Å; C150-W152 HydrophobicContact CB-CE3 4.25Å; C150-W152 HydrophobicContact CB-CZ3 4.3Å; W152-P174 PolarHBondContact N-O 2.96Å; W152-V175 WeakPolarHBondContact O-CA 3.27Å; W152-F176 PolarHBondContact O-N 3.07Å; W152-C193 PolarHBondContact N-SG 3.37Å; W152-L205 HydrophobicContact CH2-CD2 3.6Å; W152-L205 HydrophobicContact CZ2-CD2 3.79Å
153	A	98.6	Very high	94.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	160.5	167.2	0	0	0	0	0	109.9	G128 C129 T130 F176 C189 I190 C193	G128-A153 PolarHBondContact O-N 2.93Å; C129-A153 WeakPolarHBondContact CA-O 3.45Å; T130-A153 PolarHBondContact N-O 2.9Å; A153-F176 WeakPolarHBondContact CA-O 3.49Å; A153-C189 HydrophobicContact CB-CB 4.26Å; A153-I190 HydrophobicContact CB-CG1 4.1Å; A153-C193 HydrophobicContact CB-CB 4.09Å
154	A	96.5	Very high	94.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	146.4	173.7	0	0	0	0	0	111.2	T130 I132 T160 A177 F186	T130-A154 CarbonylContact O-C 3.38Å; T130-A154 VanDerWaalsContact O-CA 3.27Å; T130-A154 WeakPolarHBondContact O-CA 3.41Å; I132-A154 HydrophobicContact CG1-CB 4.01Å; A154-T160 WeakPolarHBondContact CB-OG1 3.42Å; A154-A177 HydrophobicContact CB-CB 3.98Å; A154-F186 WeakPolarHBondContact O-CE2 3.45Å
155	C	92	Very high	94.9	Very high	17 Å²	17	23.9 Å²	23.9	12%	0.115	13%	0.129	C	C	.	.	S	Bend	trans	-88.4	-5.5	168.8	68.9	0	0	0	0	113.4	T130 H131 D207	T130-C155 PolarHBondContact O-N 3.36Å; H131-C155 VanDerWaalsContact CE1-SG 3.55Å; H131-C155 PolarHBondContact N-SG 3.16Å; H131-C155 PolarHBondContact ND1-SG 3.02Å; C155-D207 HydrophobicContact CB-CB 4.49Å; C155-D207 VanDerWaalsContact CB-O 3.26Å; C155-D207 WeakPolarHBondContact CB-O 3.02Å
156	N	85.9	Confident	94.9	Very high	54 Å²	54	23 Å²	23	29%	0.289	12%	0.121	S	C	.	.	S	Bend	trans	-150.2	129.7	179.6	-179.9	-80.7	0	0	0	112.1	Y158 S159	N156-Y158 PolarHBondContact O-N 3.34Å; N156-Y158 PolarHBondContact OD1-N 3.09Å; N156-S159 PolarHBondContact O-N 2.93Å; N156-S159 VanDerWaalsContact O-N 3.16Å; N156-S159 PolarHBondContact O-OG 2.96Å; N156-S159 PolarHBondContact OD1-N 3.05Å
157	I	85.1	Confident	94.9	Very high	20 Å²	20	23 Å²	23	10%	0.103	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.7	-174.9	61.3	175.2	0	0	0	115.7	G180 E181 F186	I157-G180 WeakPolarHBondContact O-CA 3.49Å; I157-G180 PolarHBondContact O-N 3.16Å; I157-E181 HydrophobicContact CB-CB 3.86Å; I157-E181 WeakPolarHBondContact CB-O 3.4Å; I157-E181 HydrophobicContact CG2-CB 3.77Å; I157-E181 PolarHBondContact O-N 3.3Å; I157-E181 VanDerWaalsContact O-N 3.15Å; I157-F186 HydrophobicContact CG2-CB 3.83Å; I157-F186 HydrophobicContact CG2-CD2 3.95Å; I157-F186 HydrophobicContact CG2-CG 4.12Å
158	Y	82.6	Confident	94.9	Very high	96 Å²	96	22 Å²	22	38%	0.376	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-9.4	-178.1	-58.8	-57.8	0	0	0	114.3	N156	N156-Y158 PolarHBondContact O-N 3.34Å; N156-Y158 PolarHBondContact OD1-N 3.09Å
159	S	84.1	Confident	94.9	Very high	23 Å²	23	21.5 Å²	21.5	16%	0.161	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-16.4	-168	66.3	0	0	0	0	114.8	H131 N156 L161	H131-S159 WeakPolarHBondContact ND1-CB 3.28Å; H131-S159 PolarHBondContact ND1-OG 3.19Å; N156-S159 PolarHBondContact O-N 2.93Å; N156-S159 VanDerWaalsContact O-N 3.16Å; N156-S159 PolarHBondContact O-OG 2.96Å; N156-S159 PolarHBondContact OD1-N 3.05Å; S159-L161 PolarHBondContact O-N 3.41Å
160	T	93.8	Very high	94.9	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	10%	0.096	C	C	.	.			trans	-65.9	128.7	-176.2	-60.7	0	0	0	0	111.9	I132 A154 A165 A177 W178 K179	I132-T160 HydrophobicContact CB-CG2 3.96Å; I132-T160 HydrophobicContact CG2-CG2 4.13Å; A154-T160 WeakPolarHBondContact CB-OG1 3.42Å; T160-A165 HydrophobicContact CG2-CB 4.08Å; T160-A177 HydrophobicContact CG2-CB 4.05Å; T160-W178 VanDerWaalsContact CB-C 3.5Å; T160-K179 WeakPolarHBondContact O-CB 3.41Å
161	L	93.4	Very high	94.9	Very high	60 Å²	60	20.8 Å²	20.8	31%	0.314	11%	0.107	S	C	.	.			trans	-87.4	106.1	163.5	-61.5	-172.5	0	0	0	108.4	I132 S159 E163 V164 A165	I132-L161 PolarHBondContact O-N 3.08Å; S159-L161 PolarHBondContact O-N 3.41Å; L161-E163 VanDerWaalsContact C-N 3.3Å; L161-E163 WeakPolarHBondContact CB-OE1 3.46Å; L161-E163 PolarHBondContact O-N 3.35Å; L161-V164 HydrophobicContact CB-CB 4.05Å; L161-V164 HydrophobicContact CB-CG2 3.81Å; L161-V164 HydrophobicContact CD1-CG2 4.21Å; L161-V164 WeakPolarHBondContact O-CB 3.26Å; L161-V164 PolarHBondContact O-N 2.99Å; L161-V164 VanDerWaalsContact O-N 3.07Å; L161-A165 PolarHBondContact O-N 2.89Å
162	N	96.7	Very high	94.8	Very high	27 Å²	27	22.3 Å²	22.3	14%	0.144	13%	0.126	C	C	.	.	H	α-helix	trans	-61	-38.9	-168.7	-75.6	-36.5	0	0	0	112.6	K86 V164 A165 A166 W178 K179	K86-N162 HydrophobicContact CB-CB 4.11Å; N162-V164 VanDerWaalsContact C-N 3.33Å; N162-V164 PolarHBondContact O-N 3.1Å; N162-A165 PolarHBondContact O-N 3.46Å; N162-A166 WeakPolarHBondContact O-CB 3.48Å; N162-A166 PolarHBondContact O-N 3.4Å; N162-W178 VanDerWaalsContact OD1-CA 3.31Å; N162-W178 WeakPolarHBondContact OD1-CA 3.14Å; N162-W178 WeakPolarHBondContact OD1-CB 3.47Å; N162-K179 PolarHBondContact OD1-N 2.85Å
163	E	97.6	Very high	94.8	Very high	36 Å²	36	23.9 Å²	23.9	17%	0.168	13%	0.133	C	C	.	.	H	α-helix	trans	-62.5	-39	176	63.8	-75.8	173.7	0	0	112.2	Q90 F93 G94 L161 A166 A167	Q90-E163 HydrophobicContact CB-CB 3.95Å; F93-E163 HydrophobicContact CD1-CB 3.58Å; F93-E163 HydrophobicContact CD1-CG 3.58Å; F93-E163 HydrophobicContact CE1-CB 4.18Å; F93-E163 HydrophobicContact CE1-CG 3.69Å; G94-E163 WeakPolarHBondContact CA-O 3.15Å; L161-E163 VanDerWaalsContact C-N 3.3Å; L161-E163 WeakPolarHBondContact CB-OE1 3.46Å; L161-E163 PolarHBondContact O-N 3.35Å; E163-A166 WeakPolarHBondContact O-CB 3.48Å; E163-A166 PolarHBondContact O-N 2.86Å; E163-A167 PolarHBondContact O-N 2.87Å
164	V	98.3	Very high	94.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-70.3	-43.3	177.2	178.7	0	0	0	0	110.5	E97 I98 T133 A134 A137 L161 N162 A166 A167 L168	E97-V164 HydrophobicContact CB-CG2 4.38Å; I98-V164 HydrophobicContact CD1-CG1 4.21Å; I98-V164 HydrophobicContact CG1-CG1 4.18Å; T133-V164 WeakPolarHBondContact O-CG1 3.41Å; A134-V164 HydrophobicContact CB-CG2 4.09Å; A137-V164 HydrophobicContact CB-CG1 3.59Å; L161-V164 HydrophobicContact CB-CB 4.05Å; L161-V164 HydrophobicContact CB-CG2 3.81Å; L161-V164 HydrophobicContact CD1-CG2 4.21Å; L161-V164 WeakPolarHBondContact O-CB 3.26Å; L161-V164 PolarHBondContact O-N 2.99Å; L161-V164 VanDerWaalsContact O-N 3.07Å; N162-V164 VanDerWaalsContact C-N 3.33Å; N162-V164 PolarHBondContact O-N 3.1Å; V164-A166 VanDerWaalsContact C-N 3.25Å; V164-A166 PolarHBondContact O-N 3.14Å; V164-A167 PolarHBondContact O-N 3.45Å; V164-A167 VanDerWaalsContact O-N 3.13Å; V164-L168 HydrophobicContact CG1-CD1 4.35Å; V164-L168 PolarHBondContact O-N 3.11Å
165	A	98.5	Very high	94.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-57.2	-41.9	173	0	0	0	0	0	111	V85 I132 T160 L161 N162 L168 A169 V175	V85-A165 HydrophobicContact CB-CB 4.43Å; V85-A165 HydrophobicContact CG1-CB 3.94Å; I132-A165 HydrophobicContact CG2-CB 3.97Å; T160-A165 HydrophobicContact CG2-CB 4.08Å; L161-A165 PolarHBondContact O-N 2.89Å; N162-A165 PolarHBondContact O-N 3.46Å; A165-L168 PolarHBondContact O-N 2.99Å; A165-A169 WeakPolarHBondContact O-CB 3.2Å; A165-A169 PolarHBondContact O-N 2.96Å; A165-V175 WeakPolarHBondContact O-CG1 3.47Å
166	A	98.6	Very high	95.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.7	-42.4	174.7	0	0	0	0	0	112.5	N87 I88 Q90 A91 N162 E163 V164 L168 A169 E170	N87-A166 WeakPolarHBondContact O-CB 3.32Å; I88-A166 WeakPolarHBondContact CD1-O 3.47Å; Q90-A166 HydrophobicContact CB-CB 4.1Å; A91-A166 HydrophobicContact CB-CB 4.27Å; N162-A166 WeakPolarHBondContact O-CB 3.48Å; N162-A166 PolarHBondContact O-N 3.4Å; E163-A166 WeakPolarHBondContact O-CB 3.48Å; E163-A166 PolarHBondContact O-N 2.86Å; V164-A166 VanDerWaalsContact C-N 3.25Å; V164-A166 PolarHBondContact O-N 3.14Å; A166-L168 PolarHBondContact O-N 2.82Å; A166-A169 PolarHBondContact O-N 3Å; A166-E170 VanDerWaalsContact O-CB 3.31Å; A166-E170 WeakPolarHBondContact O-CB 3.33Å; A166-E170 PolarHBondContact O-N 3.03Å
167	A	98.8	Very high	95.8	Very high	2 Å²	2	21.5 Å²	21.5	2%	0.017	12%	0.12	C	C	.	.	H	α-helix	trans	-63.3	-39.6	177.7	0	0	0	0	0	112.7	A91 I98 E163 V164 S171	A91-A167 WeakPolarHBondContact O-CB 3.35Å; I98-A167 HydrophobicContact CD1-CB 3.69Å; E163-A167 PolarHBondContact O-N 2.87Å; V164-A167 PolarHBondContact O-N 3.45Å; V164-A167 VanDerWaalsContact O-N 3.13Å; A167-S171 WeakPolarHBondContact O-CB 3.31Å; A167-S171 PolarHBondContact O-N 2.88Å; A167-S171 PolarHBondContact O-OG 3.13Å
168	L	98.8	Very high	96.4	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.6	-47.7	174	-74.6	166.7	0	0	0	111.9	I132 A137 M140 V164 A165 A166 E170 S171 G172 F173 V175	I132-L168 HydrophobicContact CG2-CD1 4.43Å; A137-L168 HydrophobicContact CB-CD1 3.84Å; A137-L168 HydrophobicContact CB-CD2 3.78Å; A137-L168 HydrophobicContact CB-CG 3.85Å; M140-L168 HydrophobicContact CB-CD2 4.21Å; M140-L168 HydrophobicContact CE-CD1 3.93Å; M140-L168 HydrophobicContact CE-CD2 3.95Å; M140-L168 HydrophobicContact CE-CG 4.42Å; M140-L168 HydrophobicContact SD-CD1 3.55Å; M140-L168 VanDerWaalsContact SD-CD1 3.55Å; M140-L168 HydrophobicContact SD-CD2 4.02Å; M140-L168 HydrophobicContact SD-CG 4.42Å; V164-L168 HydrophobicContact CG1-CD1 4.35Å; V164-L168 PolarHBondContact O-N 3.11Å; A165-L168 PolarHBondContact O-N 2.99Å; A166-L168 PolarHBondContact O-N 2.82Å; L168-E170 VanDerWaalsContact C-N 3.34Å; L168-E170 PolarHBondContact O-N 3.46Å; L168-S171 PolarHBondContact O-N 3.47Å; L168-G172 PolarHBondContact O-N 3Å; L168-G172 VanDerWaalsContact O-N 3.16Å; L168-F173 HydrophobicContact CB-CB 4.36Å; L168-F173 HydrophobicContact CD2-CD2 3.86Å; L168-F173 HydrophobicContact CD2-CE2 4.29Å; L168-F173 HydrophobicContact CD2-CG 4.35Å; L168-F173 PolarHBondContact O-N 3.13Å; L168-V175 HydrophobicContact CB-CG1 4.19Å
169	A	98.6	Very high	96.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60	-42.9	177	0	0	0	0	0	112.3	N76 F83 V85 I88 A165 A166 S171 G172 V175	N76-A169 PolarHBondContact ND2-O 3.2Å; N76-A169 VanDerWaalsContact ND2-O 3.08Å; F83-A169 HydrophobicContact CB-CB 4.03Å; F83-A169 HydrophobicContact CD1-CB 4Å; F83-A169 HydrophobicContact CD2-CB 3.75Å; F83-A169 HydrophobicContact CE1-CB 4.37Å; F83-A169 HydrophobicContact CE2-CB 4.15Å; F83-A169 HydrophobicContact CG-CB 3.67Å; F83-A169 HydrophobicContact CZ-CB 4.44Å; V85-A169 HydrophobicContact CG1-CB 4.06Å; I88-A169 HydrophobicContact CD1-CB 3.57Å; A165-A169 WeakPolarHBondContact O-CB 3.2Å; A165-A169 PolarHBondContact O-N 2.96Å; A166-A169 PolarHBondContact O-N 3Å; A169-S171 VanDerWaalsContact C-N 3.31Å; A169-S171 PolarHBondContact O-N 2.5Å; A169-G172 PolarHBondContact O-N 3.21Å; A169-G172 VanDerWaalsContact O-N 3.1Å; A169-V175 HydrophobicContact CB-CG1 3.76Å
170	E	98.7	Very high	96.8	Very high	52 Å²	52	23.3 Å²	23.3	24%	0.243	14%	0.138	C	C	.	.	H	α-helix	trans	-63.1	-39.3	176.5	179.7	53.3	-144.8	0	0	111.7	N76 S77 I88 A91 A166 L168 G172	N76-E170 WeakPolarHBondContact CA-OE2 3.44Å; N76-E170 VanDerWaalsContact CB-OE2 3.25Å; N76-E170 WeakPolarHBondContact CB-OE2 3.37Å; S77-E170 WeakPolarHBondContact CB-OE1 3.46Å; S77-E170 PolarHBondContact N-OE1 3.1Å; S77-E170 PolarHBondContact N-OE2 3.09Å; S77-E170 PolarHBondContact OG-OE1 2.83Å; I88-E170 HydrophobicContact CD1-CB 4.28Å; A91-E170 HydrophobicContact CB-CB 3.57Å; A91-E170 HydrophobicContact CB-CG 3.9Å; A166-E170 VanDerWaalsContact O-CB 3.31Å; A166-E170 WeakPolarHBondContact O-CB 3.33Å; A166-E170 PolarHBondContact O-N 3.03Å; L168-E170 VanDerWaalsContact C-N 3.34Å; L168-E170 PolarHBondContact O-N 3.46Å; E170-G172 PolarHBondContact O-N 2.7Å
171	S	98.3	Very high	96.6	Very high	40 Å²	40	23.5 Å²	23.5	28%	0.28	14%	0.139	S	C	.	.	H	α-helix	trans	-67.8	-18.2	176.6	-55.3	0	0	0	0	112.8	K78 R95 A167 L168 A169	K78-S171 PolarHBondContact NZ-O 2.95Å; R95-S171 PolarHBondContact NH2-OG 3.41Å; A167-S171 WeakPolarHBondContact O-CB 3.31Å; A167-S171 PolarHBondContact O-N 2.88Å; A167-S171 PolarHBondContact O-OG 3.13Å; L168-S171 PolarHBondContact O-N 3.47Å; A169-S171 VanDerWaalsContact C-N 3.31Å; A169-S171 PolarHBondContact O-N 2.5Å
172	G	97.9	Very high	96.5	Very high	41 Å²	41	23.2 Å²	23.2	42%	0.423	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.6	10.8	174.3	0	0	0	0	0	114.4	L168 A169 E170	L168-G172 PolarHBondContact O-N 3Å; L168-G172 VanDerWaalsContact O-N 3.16Å; A169-G172 PolarHBondContact O-N 3.21Å; A169-G172 VanDerWaalsContact O-N 3.1Å; E170-G172 PolarHBondContact O-N 2.7Å
173	F	98.4	Very high	96.1	Very high	33 Å²	33	27.6 Å²	27.6	15%	0.145	16%	0.161	C	C	.	.			trans	-76.6	131.3	172.1	-71.1	-84.4	0	0	0	110.6	M140 E141 C150 L168 V175	M140-F173 HydrophobicContact CB-CE1 4.49Å; M140-F173 HydrophobicContact CE-CB 4.14Å; M140-F173 HydrophobicContact CE-CD1 4.12Å; M140-F173 HydrophobicContact CE-CG 4.16Å; E141-F173 HydrophobicContact CG-CE2 3.92Å; E141-F173 HydrophobicContact CG-CZ 4.29Å; C150-F173 HydrophobicContact CB-CD1 4.04Å; C150-F173 HydrophobicContact CB-CE1 4.03Å; L168-F173 HydrophobicContact CB-CB 4.36Å; L168-F173 HydrophobicContact CD2-CD2 3.86Å; L168-F173 HydrophobicContact CD2-CE2 4.29Å; L168-F173 HydrophobicContact CD2-CG 4.35Å; L168-F173 PolarHBondContact O-N 3.13Å; F173-V175 PolarHBondContact O-N 3Å
174	P	98.5	Very high	95.9	Very high	20 Å²	20	32 Å²	32	13%	0.13	19%	0.186	C	C	.	.			trans	-70	95.4	168.1	-21.4	35.3	0	0	0	111.2	D82 C150 R151 W152 F176	D82-P174 WeakPolarHBondContact O-CA 2.95Å; D82-P174 VanDerWaalsContact O-CB 3.31Å; D82-P174 WeakPolarHBondContact O-CB 3.46Å; D82-P174 WeakPolarHBondContact OD2-CG 3.46Å; C150-P174 WeakPolarHBondContact O-CD 3.48Å; R151-P174 CarbonylContact C-O 3.35Å; R151-P174 WeakPolarHBondContact CA-O 3.47Å; R151-P174 HydrophobicContact CB-CB 4.27Å; R151-P174 HydrophobicContact CG-CB 4.1Å; R151-P174 HydrophobicContact CG-CG 4.12Å; W152-P174 PolarHBondContact N-O 2.96Å; P174-F176 HydrophobicContact CB-CE2 3.99Å; P174-F176 HydrophobicContact CB-CZ 4.48Å
175	V	98.6	Very high	95.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.2	177.8	60.3	0	0	0	0	110.3	F83 C84 V85 I132 W152 A165 L168 A169 F173 A177	F83-V175 WeakPolarHBondContact CA-O 3.4Å; F83-V175 HydrophobicContact CB-CG1 4.48Å; F83-V175 WeakPolarHBondContact CB-O 3.3Å; C84-V175 PolarHBondContact N-O 2.88Å; V85-V175 HydrophobicContact CG1-CG1 3.75Å; I132-V175 HydrophobicContact CD1-CG2 4.33Å; W152-V175 WeakPolarHBondContact O-CA 3.27Å; A165-V175 WeakPolarHBondContact O-CG1 3.47Å; L168-V175 HydrophobicContact CB-CG1 4.19Å; A169-V175 HydrophobicContact CB-CG1 3.76Å; F173-V175 PolarHBondContact O-N 3Å; V175-A177 HydrophobicContact CG2-CB 4.19Å
176	F	98.4	Very high	95.7	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	88.7	179	-56.8	-89.1	0	0	0	107.4	C84 W152 A153 P174 W188 C189 R192 C193	C84-F176 HydrophobicContact CB-CD1 3.74Å; C84-F176 HydrophobicContact CB-CE1 4.46Å; C84-F176 WeakPolarHBondContact O-CA 3.46Å; W152-F176 PolarHBondContact O-N 3.07Å; A153-F176 WeakPolarHBondContact CA-O 3.49Å; P174-F176 HydrophobicContact CB-CE2 3.99Å; P174-F176 HydrophobicContact CB-CZ 4.48Å; F176-W188 HydrophobicContact CD1-CH2 4.36Å; F176-W188 HydrophobicContact CD1-CZ3 4.29Å; F176-C189 HydrophobicContact CB-CB 3.92Å; F176-C189 VanDerWaalsContact O-CB 3.28Å; F176-C189 WeakPolarHBondContact O-CB 3.45Å; F176-C189 PolarHBondContact O-SG 3.17Å; F176-C189 VanDerWaalsContact O-SG 3.36Å; F176-R192 HydrophobicContact CD1-CB 3.6Å; F176-R192 HydrophobicContact CD1-CG 4.25Å; F176-R192 HydrophobicContact CD2-CB 4.06Å; F176-R192 HydrophobicContact CE1-CB 3.72Å; F176-R192 HydrophobicContact CE1-CG 4.36Å; F176-R192 HydrophobicContact CE2-CB 4.16Å; F176-R192 HydrophobicContact CG-CB 3.8Å; F176-R192 HydrophobicContact CZ-CB 4.01Å; F176-C193 HydrophobicContact CD2-CB 4.35Å
177	A	97.8	Very high	95.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.205	C	C	.	.			trans	-164	142.3	-175.3	0	0	0	0	0	112.4	C84 I132 A154 T160 V175 E181	C84-A177 PolarHBondContact O-N 2.79Å; I132-A177 HydrophobicContact CD1-CB 4.48Å; I132-A177 HydrophobicContact CG1-CB 3.65Å; A154-A177 HydrophobicContact CB-CB 3.98Å; T160-A177 HydrophobicContact CG2-CB 4.05Å; V175-A177 HydrophobicContact CG2-CB 4.19Å; A177-E181 VanDerWaalsContact CA-OE1 3.25Å; A177-E181 WeakPolarHBondContact CA-OE1 3.36Å
178	W	97.1	Very high	95.6	Very high	8 Å²	8	39.4 Å²	39.4	3%	0.03	22%	0.215	C	C	.	.			trans	-152.1	163.6	165.2	61.4	93.4	0	0	0	111.5	P69 R70 C84 K86 T160 N162 E181 D185 W188 C189	P69-W178 HydrophobicContact CB-CD2 4.05Å; P69-W178 HydrophobicContact CB-CE3 4.04Å; P69-W178 HydrophobicContact CB-CZ3 4.39Å; P69-W178 HydrophobicContact CG-CB 4.37Å; P69-W178 HydrophobicContact CG-CD2 3.66Å; P69-W178 HydrophobicContact CG-CE3 4.18Å; P69-W178 HydrophobicContact CG-CG 3.74Å; P69-W178 HydrophobicContact CG-CZ2 4.41Å; R70-W178 HydrophobicContact CG-CH2 3.64Å; R70-W178 HydrophobicContact CG-CZ2 4.35Å; R70-W178 HydrophobicContact CG-CZ3 4.36Å; C84-W178 HydrophobicContact CB-CZ3 4.45Å; K86-W178 HydrophobicContact CB-CB 4.03Å; T160-W178 VanDerWaalsContact CB-C 3.5Å; N162-W178 VanDerWaalsContact OD1-CA 3.31Å; N162-W178 WeakPolarHBondContact OD1-CA 3.14Å; N162-W178 WeakPolarHBondContact OD1-CB 3.47Å; W178-E181 HydrophobicContact CD2-CG 3.79Å; W178-E181 HydrophobicContact CE3-CG 4.35Å; W178-E181 HydrophobicContact CG-CG 4.1Å; W178-E181 HydrophobicContact CH2-CG 4.45Å; W178-E181 HydrophobicContact CZ2-CG 3.96Å; W178-E181 PolarHBondContact N-OE1 2.82Å; W178-E181 WeakPolarHBondContact O-CG 3.43Å; W178-D185 HydrophobicContact CH2-CB 3.77Å; W178-D185 HydrophobicContact CZ2-CB 3.5Å; W178-W188 HydrophobicContact CH2-CZ3 4.46Å; W178-W188 HydrophobicContact CZ3-CZ3 4.27Å; W178-C189 WeakPolarHBondContact CZ3-SG 3.48Å
179	K	89.8	Confident	95.6	Very high	126 Å²	126	39.4 Å²	39.4	55%	0.548	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	131.4	174.6	-168.6	172.3	-178.5	174.9	0	110.9	T160 N162	T160-K179 WeakPolarHBondContact O-CB 3.41Å; N162-K179 PolarHBondContact OD1-N 2.85Å
180	G	86.4	Confident	95.6	Very high	43 Å²	43	39.4 Å²	39.4	44%	0.443	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	38.4	178.7	0	0	0	0	0	113.1	I157	I157-G180 WeakPolarHBondContact O-CA 3.49Å; I157-G180 PolarHBondContact O-N 3.16Å
181	E	89.9	Confident	95.5	Very high	5 Å²	5	38.5 Å²	38.5	2%	0.023	21%	0.212	C	C	.	.			trans	-60.9	145.3	169.1	-75.6	162.4	-157.9	0	0	111	I157 A177 W178 D185	I157-E181 HydrophobicContact CB-CB 3.86Å; I157-E181 WeakPolarHBondContact CB-O 3.4Å; I157-E181 HydrophobicContact CG2-CB 3.77Å; I157-E181 PolarHBondContact O-N 3.3Å; I157-E181 VanDerWaalsContact O-N 3.15Å; A177-E181 VanDerWaalsContact CA-OE1 3.25Å; A177-E181 WeakPolarHBondContact CA-OE1 3.36Å; W178-E181 HydrophobicContact CD2-CG 3.79Å; W178-E181 HydrophobicContact CE3-CG 4.35Å; W178-E181 HydrophobicContact CG-CG 4.1Å; W178-E181 HydrophobicContact CH2-CG 4.45Å; W178-E181 HydrophobicContact CZ2-CG 3.96Å; W178-E181 PolarHBondContact N-OE1 2.82Å; W178-E181 WeakPolarHBondContact O-CG 3.43Å; E181-D185 HydrophobicContact CB-CB 4.11Å; E181-D185 HydrophobicContact CG-CB 4.25Å
182	S	91.3	Very high	95.5	Very high	53 Å²	53	41 Å²	41	37%	0.371	22%	0.216	S	C	.	.			trans	-77.4	166.1	160.4	69.6	0	0	0	0	110.4	D184 D185 F186	S182-D184 PolarHBondContact O-N 3.22Å; S182-D185 WeakPolarHBondContact CB-OD2 3.22Å; S182-D185 PolarHBondContact N-OD2 3.5Å; S182-D185 WeakPolarHBondContact O-CB 3.48Å; S182-D185 PolarHBondContact O-N 2.77Å; S182-D185 VanDerWaalsContact O-N 3.13Å; S182-D185 PolarHBondContact OG-N 3.42Å; S182-D185 PolarHBondContact OG-OD2 2.86Å; S182-F186 PolarHBondContact O-N 3.39Å
183	E	87.4	Confident	95.5	Very high	119 Å²	119	39.1 Å²	39.1	56%	0.556	20%	0.195	S	C	*	.	H	α-helix	trans	-58.3	-37.3	174.1	-67.9	-66.5	140.7	0	0	112.2	D185 F186 W187	E183-D185 VanDerWaalsContact C-N 3.35Å; E183-F186 WeakPolarHBondContact O-CB 3.03Å; E183-F186 PolarHBondContact O-N 3.09Å; E183-W187 PolarHBondContact O-N 2.93Å
184	D	94.8	Very high	95.4	Very high	129 Å²	129	37.5 Å²	37.5	69%	0.69	19%	0.189	S	C	*	.	H	α-helix	trans	-67.9	-37	177	-72.1	-36.2	0	0	0	111.9	S182 W188	S182-D184 PolarHBondContact O-N 3.22Å; D184-W188 VanDerWaalsContact O-CB 3.3Å; D184-W188 WeakPolarHBondContact O-CB 3.31Å; D184-W188 PolarHBondContact O-N 2.97Å; D184-W188 VanDerWaalsContact O-N 3.11Å
185	D	96.4	Very high	95.2	Very high	19 Å²	19	40.1 Å²	40.1	10%	0.102	20%	0.201	C	C	.	.	H	α-helix	trans	-67.9	-41.1	176.4	-64.7	-40.5	0	0	0	111.9	R70 W178 E181 S182 E183 W187 W188 C189	R70-D185 WeakPolarHBondContact CD-OD1 3.35Å; R70-D185 IonicContact CZ-OD1 3.32Å; R70-D185 IonicContact NE-OD1 3.28Å; R70-D185 IonicContact NH1-OD1 2.69Å; R70-D185 PolarHBondContact NH1-OD1 3.03Å; W178-D185 HydrophobicContact CH2-CB 3.77Å; W178-D185 HydrophobicContact CZ2-CB 3.5Å; E181-D185 HydrophobicContact CB-CB 4.11Å; E181-D185 HydrophobicContact CG-CB 4.25Å; S182-D185 WeakPolarHBondContact CB-OD2 3.22Å; S182-D185 PolarHBondContact N-OD2 3.5Å; S182-D185 WeakPolarHBondContact O-CB 3.48Å; S182-D185 PolarHBondContact O-N 2.77Å; S182-D185 VanDerWaalsContact O-N 3.13Å; S182-D185 PolarHBondContact OG-N 3.42Å; S182-D185 PolarHBondContact OG-OD2 2.86Å; E183-D185 VanDerWaalsContact C-N 3.35Å; D185-W187 PolarHBondContact O-N 3.32Å; D185-W188 CarbonylContact O-C 3.02Å; D185-W188 WeakPolarHBondContact O-CB 3.39Å; D185-W188 PolarHBondContact O-N 3.22Å; D185-C189 WeakPolarHBondContact O-CB 3.39Å; D185-C189 PolarHBondContact O-N 2.57Å; D185-C189 PolarHBondContact O-SG 2.9Å; D185-C189 VanDerWaalsContact O-SG 3.38Å
186	F	94.9	Very high	95	Very high	11 Å²	11	41.8 Å²	41.8	5%	0.048	21%	0.212	C	C	.	.	H	α-helix	trans	-55.4	-53.1	177.4	176.6	-102.8	0	0	0	112	A154 I157 S182 E183 W188 C189 I190 D210	A154-F186 WeakPolarHBondContact O-CE2 3.45Å; I157-F186 HydrophobicContact CG2-CB 3.83Å; I157-F186 HydrophobicContact CG2-CD2 3.95Å; I157-F186 HydrophobicContact CG2-CG 4.12Å; S182-F186 PolarHBondContact O-N 3.39Å; E183-F186 WeakPolarHBondContact O-CB 3.03Å; E183-F186 PolarHBondContact O-N 3.09Å; F186-W188 VanDerWaalsContact C-N 3.3Å; F186-W188 PolarHBondContact O-N 3.42Å; F186-C189 WeakPolarHBondContact O-CB 3.49Å; F186-C189 PolarHBondContact O-N 3.03Å; F186-I190 HydrophobicContact CD1-CD1 4.24Å; F186-I190 HydrophobicContact CE1-CD1 3.63Å; F186-I190 HydrophobicContact CE2-CD1 4.32Å; F186-I190 HydrophobicContact CZ-CD1 3.68Å; F186-I190 PolarHBondContact O-N 3.43Å; F186-I190 VanDerWaalsContact O-N 3.1Å; F186-D210 HydrophobicContact CE1-CB 4.49Å; F186-D210 HydrophobicContact CZ-CB 4.44Å
187	W	97.3	Very high	94.7	Very high	69 Å²	69	50.9 Å²	50.9	26%	0.261	25%	0.254	S	S	.	.	H	α-helix	trans	-67.4	-32.4	178.4	-68.3	115.2	0	0	0	112.6	E183 D185 I190 D191 D210 W214	E183-W187 PolarHBondContact O-N 2.93Å; D185-W187 PolarHBondContact O-N 3.32Å; W187-I190 HydrophobicContact CE3-CD1 3.95Å; W187-I190 HydrophobicContact CZ3-CD1 3.91Å; W187-D191 WeakPolarHBondContact O-CB 3.26Å; W187-D191 PolarHBondContact O-N 2.85Å; W187-D210 HydrophobicContact CH2-CB 3.91Å; W187-D210 HydrophobicContact CZ3-CB 4.08Å; W187-W214 HydrophobicContact CB-CH2 3.78Å; W187-W214 HydrophobicContact CB-CZ3 3.97Å; W187-W214 HydrophobicContact CD2-CE3 4.08Å; W187-W214 HydrophobicContact CD2-CH2 4.44Å; W187-W214 AromaticContact CD2-CZ3 3.72Å; W187-W214 HydrophobicContact CD2-CZ3 3.72Å; W187-W214 HydrophobicContact CE3-CD2 4.08Å; W187-W214 AromaticContact CE3-CE3 3.29Å; W187-W214 HydrophobicContact CE3-CE3 3.29Å; W187-W214 HydrophobicContact CE3-CH2 4.29Å; W187-W214 AromaticContact CE3-CZ3 3.42Å; W187-W214 HydrophobicContact CE3-CZ3 3.42Å; W187-W214 VanDerWaalsContact CE3-CZ3 3.42Å; W187-W214 HydrophobicContact CG-CH2 4.26Å; W187-W214 AromaticContact CG-CZ3 3.96Å; W187-W214 HydrophobicContact CG-CZ3 3.96Å; W187-W214 HydrophobicContact CZ3-CD2 4.5Å; W187-W214 AromaticContact CZ3-CE3 3.72Å; W187-W214 HydrophobicContact CZ3-CE3 3.72Å; W187-W214 HydrophobicContact CZ3-CZ3 4.21Å
188	W	98	Very high	94.5	Very high	58 Å²	58	55 Å²	55	22%	0.22	30%	0.296	C	S	.	.	H	α-helix	trans	-64.8	-42.8	173.1	177.7	90.9	0	0	0	111.7	R70 C84 F176 W178 D184 D185 F186 D191 R192	R70-W188 HydrophobicContact CG-CD2 4.45Å; R70-W188 HydrophobicContact CG-CE3 4.11Å; R70-W188 HydrophobicContact CG-CH2 4.03Å; R70-W188 HydrophobicContact CG-CZ2 4.35Å; R70-W188 HydrophobicContact CG-CZ3 3.91Å; C84-W188 HydrophobicContact CB-CH2 3.81Å; C84-W188 HydrophobicContact CB-CZ3 3.8Å; F176-W188 HydrophobicContact CD1-CH2 4.36Å; F176-W188 HydrophobicContact CD1-CZ3 4.29Å; W178-W188 HydrophobicContact CH2-CZ3 4.46Å; W178-W188 HydrophobicContact CZ3-CZ3 4.27Å; D184-W188 VanDerWaalsContact O-CB 3.3Å; D184-W188 WeakPolarHBondContact O-CB 3.31Å; D184-W188 PolarHBondContact O-N 2.97Å; D184-W188 VanDerWaalsContact O-N 3.11Å; D185-W188 CarbonylContact O-C 3.02Å; D185-W188 WeakPolarHBondContact O-CB 3.39Å; D185-W188 PolarHBondContact O-N 3.22Å; F186-W188 VanDerWaalsContact C-N 3.3Å; F186-W188 PolarHBondContact O-N 3.42Å; W188-D191 PolarHBondContact O-N 2.8Å; W188-R192 HydrophobicContact CD2-CG 3.85Å; W188-R192 HydrophobicContact CE3-CG 4.12Å; W188-R192 HydrophobicContact CG-CG 4.5Å; W188-R192 HydrophobicContact CH2-CG 3.92Å; W188-R192 HydrophobicContact CZ2-CG 3.63Å; W188-R192 HydrophobicContact CZ3-CG 4.14Å; W188-R192 WeakPolarHBondContact O-CG 3.37Å; W188-R192 PolarHBondContact O-N 3.5Å
189	C	98.4	Very high	94.5	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-47	176.6	-77.9	0	0	0	0	111.7	A153 F176 W178 D185 F186 D191 R192 C193	A153-C189 HydrophobicContact CB-CB 4.26Å; F176-C189 HydrophobicContact CB-CB 3.92Å; F176-C189 VanDerWaalsContact O-CB 3.28Å; F176-C189 WeakPolarHBondContact O-CB 3.45Å; F176-C189 PolarHBondContact O-SG 3.17Å; F176-C189 VanDerWaalsContact O-SG 3.36Å; W178-C189 WeakPolarHBondContact CZ3-SG 3.48Å; D185-C189 WeakPolarHBondContact O-CB 3.39Å; D185-C189 PolarHBondContact O-N 2.57Å; D185-C189 PolarHBondContact O-SG 2.9Å; D185-C189 VanDerWaalsContact O-SG 3.38Å; F186-C189 WeakPolarHBondContact O-CB 3.49Å; F186-C189 PolarHBondContact O-N 3.03Å; C189-D191 VanDerWaalsContact C-N 3.31Å; C189-D191 PolarHBondContact O-N 3.42Å; C189-R192 PolarHBondContact O-N 3.1Å; C189-C193 WeakPolarHBondContact O-CB 3.34Å; C189-C193 PolarHBondContact O-N 3.39Å
190	I	98.4	Very high	94.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.3	-45.5	173.9	-72.6	178.3	0	0	0	110.7	A153 F186 W187 R192 C193 V194 D210 L211 W214	A153-I190 HydrophobicContact CB-CG1 4.1Å; F186-I190 HydrophobicContact CD1-CD1 4.24Å; F186-I190 HydrophobicContact CE1-CD1 3.63Å; F186-I190 HydrophobicContact CE2-CD1 4.32Å; F186-I190 HydrophobicContact CZ-CD1 3.68Å; F186-I190 PolarHBondContact O-N 3.43Å; F186-I190 VanDerWaalsContact O-N 3.1Å; W187-I190 HydrophobicContact CE3-CD1 3.95Å; W187-I190 HydrophobicContact CZ3-CD1 3.91Å; I190-R192 PolarHBondContact O-N 2.89Å; I190-C193 WeakPolarHBondContact O-CB 3.41Å; I190-C193 PolarHBondContact O-N 3.26Å; I190-V194 WeakPolarHBondContact O-CG2 3.32Å; I190-V194 PolarHBondContact O-N 3.14Å; I190-V194 VanDerWaalsContact O-N 3.17Å; I190-D210 HydrophobicContact CD1-CB 4.26Å; I190-L211 HydrophobicContact CG2-CD1 3.98Å; I190-W214 HydrophobicContact CG2-CB 3.77Å; I190-W214 HydrophobicContact CG2-CD2 4.27Å; I190-W214 HydrophobicContact CG2-CG 3.65Å
191	D	98.4	Very high	95.4	Very high	34 Å²	34	52.7 Å²	52.7	18%	0.182	28%	0.275	C	S	.	.	H	α-helix	trans	-63.2	-43.7	179.6	-162.4	70.7	0	0	0	112.4	W187 W188 C189 C193 V194 N195 W214 Y219	W187-D191 WeakPolarHBondContact O-CB 3.26Å; W187-D191 PolarHBondContact O-N 2.85Å; W188-D191 PolarHBondContact O-N 2.8Å; C189-D191 VanDerWaalsContact C-N 3.31Å; C189-D191 PolarHBondContact O-N 3.42Å; D191-C193 VanDerWaalsContact C-N 3.32Å; D191-C193 PolarHBondContact O-N 3.04Å; D191-V194 PolarHBondContact O-N 3.38Å; D191-N195 WeakPolarHBondContact O-CB 3.38Å; D191-N195 PolarHBondContact O-N 3.22Å; D191-W214 HydrophobicContact CB-CZ2 4.01Å; D191-W214 PolarHBondContact OD1-NE1 2.89Å; D191-Y219 WeakPolarHBondContact OD1-CE2 3.46Å; D191-Y219 PolarHBondContact OD1-OH 2.93Å; D191-Y219 PolarHBondContact OD2-OH 3.47Å
192	R	97.3	Very high	95.8	Very high	93 Å²	93	53.8 Å²	53.8	35%	0.351	28%	0.281	S	S	.	.	H	α-helix	trans	-65.9	-33.1	177.7	-69.5	-56.3	-58.2	-93.9	-3.2	113.4	R151 F176 W188 C189 I190	R151-R192 PolarHBondContact NH1-O 2.69Å; F176-R192 HydrophobicContact CD1-CB 3.6Å; F176-R192 HydrophobicContact CD1-CG 4.25Å; F176-R192 HydrophobicContact CD2-CB 4.06Å; F176-R192 HydrophobicContact CE1-CB 3.72Å; F176-R192 HydrophobicContact CE1-CG 4.36Å; F176-R192 HydrophobicContact CE2-CB 4.16Å; F176-R192 HydrophobicContact CG-CB 3.8Å; F176-R192 HydrophobicContact CZ-CB 4.01Å; W188-R192 HydrophobicContact CD2-CG 3.85Å; W188-R192 HydrophobicContact CE3-CG 4.12Å; W188-R192 HydrophobicContact CG-CG 4.5Å; W188-R192 HydrophobicContact CH2-CG 3.92Å; W188-R192 HydrophobicContact CZ2-CG 3.63Å; W188-R192 HydrophobicContact CZ3-CG 4.14Å; W188-R192 WeakPolarHBondContact O-CG 3.37Å; W188-R192 PolarHBondContact O-N 3.5Å; C189-R192 PolarHBondContact O-N 3.1Å; I190-R192 PolarHBondContact O-N 2.89Å
193	C	96.9	Very high	96.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.1	-44.5	173.1	177.5	0	0	0	0	111.1	R151 W152 A153 F176 C189 I190 D191	R151-C193 PolarHBondContact NH1-O 2.94Å; R151-C193 PolarHBondContact O-SG 2.84Å; R151-C193 VanDerWaalsContact O-SG 3.36Å; W152-C193 PolarHBondContact N-SG 3.37Å; A153-C193 HydrophobicContact CB-CB 4.09Å; F176-C193 HydrophobicContact CD2-CB 4.35Å; C189-C193 WeakPolarHBondContact O-CB 3.34Å; C189-C193 PolarHBondContact O-N 3.39Å; I190-C193 WeakPolarHBondContact O-CB 3.41Å; I190-C193 PolarHBondContact O-N 3.26Å; D191-C193 VanDerWaalsContact C-N 3.32Å; D191-C193 PolarHBondContact O-N 3.04Å
194	V	96.8	Very high	96.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-85.8	-50	-172.9	173.8	0	0	0	0	113.8	V127 I190 D191 L211 I215 Y219 M222	V127-V194 HydrophobicContact CG1-CG2 4.26Å; I190-V194 WeakPolarHBondContact O-CG2 3.32Å; I190-V194 PolarHBondContact O-N 3.14Å; I190-V194 VanDerWaalsContact O-N 3.17Å; D191-V194 PolarHBondContact O-N 3.38Å; V194-L211 HydrophobicContact CG2-CD1 3.4Å; V194-L211 VanDerWaalsContact CG2-CD1 3.4Å; V194-I215 HydrophobicContact CG1-CD1 4.26Å; V194-I215 HydrophobicContact CG1-CG1 3.79Å; V194-I215 HydrophobicContact CG2-CD1 3.91Å; V194-I215 HydrophobicContact CG2-CG1 3.87Å; V194-Y219 HydrophobicContact CG1-CD2 4.06Å; V194-Y219 HydrophobicContact CG1-CE2 4.3Å; V194-M222 HydrophobicContact CG1-CE 3.97Å; V194-M222 HydrophobicContact CG1-SD 3.51Å; V194-M222 VanDerWaalsContact CG1-SD 3.51Å
195	N	94.1	Very high	96.9	Very high	74 Å²	74	39.5 Å²	39.5	40%	0.396	21%	0.205	S	C	.	.			trans	-99	97.5	-166.1	-177.2	35.6	0	0	0	110.8	D191 Y219	D191-N195 WeakPolarHBondContact O-CB 3.38Å; D191-N195 PolarHBondContact O-N 3.22Å; N195-Y219 HydrophobicContact CB-CE1 4.22Å; N195-Y219 HydrophobicContact CB-CE2 4.34Å; N195-Y219 WeakPolarHBondContact CB-OH 3.16Å; N195-Y219 PolarHBondContact ND2-OH 2.91Å
196	V	94.6	Very high	97	Very high	36 Å²	36	38.6 Å²	38.6	22%	0.218	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-139.7	141.9	178.9	54.5	0	0	0	0	110.2	W199	V196-W199 HydrophobicContact CG1-CB 3.73Å; V196-W199 HydrophobicContact CG1-CD2 4.33Å; V196-W199 HydrophobicContact CG1-CE3 3.84Å; V196-W199 HydrophobicContact CG1-CG 4.35Å
197	E	92	Very high	97	Very high	192 Å²	192	39.2 Å²	39.2	90%	0.897	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	138.1	177.9	-66.3	-173.9	171.2	0	0	111.2	W199	E197-W199 PolarHBondContact O-N 3.37Å
198	G	94	Very high	96.5	Very high	85 Å²	85	36.7 Å²	36.7	88%	0.876	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	-2	177.2	0	0	0	0	0	115.7
199	W	97.6	Very high	96.3	Very high	29 Å²	29	34.1 Å²	34.1	11%	0.11	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-134.9	133.3	177.5	-170.9	103.5	0	0	0	111	K125 V127 R151 V196 E197 P201	K125-W199 HydrophobicContact CB-CH2 4.04Å; K125-W199 HydrophobicContact CB-CZ2 3.45Å; K125-W199 VanDerWaalsContact CB-CZ2 3.45Å; K125-W199 HydrophobicContact CD-CD2 4.3Å; K125-W199 HydrophobicContact CD-CG 4.36Å; K125-W199 HydrophobicContact CD-CZ2 4.41Å; K125-W199 HydrophobicContact CG-CZ2 3.97Å; V127-W199 HydrophobicContact CG1-CH2 3.82Å; V127-W199 HydrophobicContact CG1-CZ3 3.75Å; R151-W199 HydrophobicContact CB-CH2 4.46Å; R151-W199 HydrophobicContact CG-CH2 3.86Å; R151-W199 HydrophobicContact CG-CZ2 3.96Å; R151-W199 HydrophobicContact CG-CZ3 4.17Å; V196-W199 HydrophobicContact CG1-CB 3.73Å; V196-W199 HydrophobicContact CG1-CD2 4.33Å; V196-W199 HydrophobicContact CG1-CE3 3.84Å; V196-W199 HydrophobicContact CG1-CG 4.35Å; E197-W199 PolarHBondContact O-N 3.37Å; W199-P201 HydrophobicContact CH2-CB 4.03Å; W199-P201 HydrophobicContact CZ3-CB 3.84Å; W199-P201 HydrophobicContact CZ3-CG 4.23Å
200	Q	97.1	Very high	96.1	Very high	95 Å²	95	35.8 Å²	35.8	44%	0.444	20%	0.199	S	C	.	.			trans	-134	128.4	-178.1	-62.6	-68	-64.9	0	0	107.8	K125	K125-Q200 WeakPolarHBondContact CD-O 3.46Å
201	P	98.4	Very high	96.1	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.032	20%	0.199	C	C	.	.			trans	-65.2	149.9	178.1	26.2	-31.9	0	0	0	110.8	K125 V127 W199 M222 I226	K125-P201 WeakPolarHBondContact O-CA 3.45Å; V127-P201 HydrophobicContact CB-CB 4.39Å; V127-P201 HydrophobicContact CG1-CB 3.85Å; V127-P201 HydrophobicContact CG1-CG 4.22Å; V127-P201 HydrophobicContact CG2-CB 3.71Å; V127-P201 HydrophobicContact CG2-CG 4.2Å; W199-P201 HydrophobicContact CH2-CB 4.03Å; W199-P201 HydrophobicContact CZ3-CB 3.84Å; W199-P201 HydrophobicContact CZ3-CG 4.23Å; P201-M222 VanDerWaalsContact CD-SD 3.58Å; P201-M222 HydrophobicContact CG-CE 4.43Å; P201-M222 HydrophobicContact CG-CG 4.06Å; P201-M222 HydrophobicContact CG-SD 3.46Å; P201-M222 WeakPolarHBondContact CG-SD 3.28Å; P201-I226 HydrophobicContact CB-CD1 4.01Å; P201-I226 HydrophobicContact CG-CD1 4.09Å; P201-I226 WeakPolarHBondContact O-CD1 3.28Å
202	N	98.4	Very high	96.1	Very high	29 Å²	29	34.5 Å²	34.5	16%	0.155	19%	0.193	C	C	.	.	S	Bend	trans	-124.7	-4.8	168.5	65.4	17.6	0	0	0	112.5	G123 K125 K227	G123-N202 PolarHBondContact O-ND2 3.22Å; K125-N202 PolarHBondContact N-OD1 2.99Å; K125-N202 PolarHBondContact O-N 3.17Å; K125-N202 PolarHBondContact O-OD1 2.84Å; N202-K227 WeakPolarHBondContact O-CB 3.42Å; N202-K227 PolarHBondContact O-N 3.16Å
203	M	98.8	Very high	96.1	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	146.8	176.8	-67.6	-59.6	-64.6	0	0	109.7	K125 I126 V127 K227 L444 L447 Y448	K125-M203 PolarHBondContact O-N 3.26Å; K125-M203 VanDerWaalsContact O-N 3.13Å; I126-M203 WeakPolarHBondContact CA-O 3.31Å; I126-M203 HydrophobicContact CB-CB 4.5Å; I126-M203 HydrophobicContact CG1-CB 3.94Å; V127-M203 WeakPolarHBondContact CG2-O 3.46Å; V127-M203 PolarHBondContact N-O 3.37Å; V127-M203 VanDerWaalsContact N-O 3.11Å; M203-K227 HydrophobicContact SD-CB 3.71Å; M203-L444 HydrophobicContact CB-CD2 4.34Å; M203-L444 HydrophobicContact CE-CD2 3.8Å; M203-L447 HydrophobicContact CE-CB 3.66Å; M203-L447 HydrophobicContact CE-CD1 4.19Å; M203-Y448 HydrophobicContact CG-CD2 4.13Å; M203-Y448 HydrophobicContact SD-CD2 4.24Å
204	I	98.9	Very high	96.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.2	175.3	-71.5	166.3	0	0	0	108.9	V127 D206 L211 I215 I226 G228 I229 V230	V127-I204 HydrophobicContact CG2-CG1 3.86Å; I204-D206 HydrophobicContact CG2-CB 3.88Å; I204-L211 HydrophobicContact CG2-CD2 3.98Å; I204-I215 HydrophobicContact CD1-CD1 3.6Å; I204-I215 HydrophobicContact CG1-CD1 3.9Å; I204-I226 HydrophobicContact CD1-CD1 4.28Å; I204-I226 HydrophobicContact CD1-CG1 4.02Å; I204-I226 HydrophobicContact CD1-CG2 4.1Å; I204-I226 HydrophobicContact CG1-CD1 4.27Å; I204-I226 HydrophobicContact CG1-CG1 4.5Å; I204-I226 HydrophobicContact CG1-CG2 4.26Å; I204-G228 PolarHBondContact N-O 2.98Å; I204-I229 HydrophobicContact CB-CB 4.43Å; I204-I229 HydrophobicContact CB-CG1 4.09Å; I204-I229 HydrophobicContact CB-CG2 4.42Å; I204-I229 HydrophobicContact CD1-CG1 3.98Å; I204-I229 HydrophobicContact CG2-CG1 4.44Å; I204-I229 HydrophobicContact CG2-CG2 4.03Å; I204-V230 PolarHBondContact O-N 3.09Å
205	L	98.9	Very high	96.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.6	161.3	179.4	66.2	0	0	0	108.3	I126 V127 G128 C129 T130 L139 W152 V230 Q440 L444	I126-L205 HydrophobicContact CG2-CB 4.37Å; V127-L205 PolarHBondContact O-N 3.04Å; G128-L205 CarbonylContact C-O 3.58Å; G128-L205 VanDerWaalsContact CA-O 3.29Å; G128-L205 WeakPolarHBondContact CA-O 3.31Å; C129-L205 PolarHBondContact N-O 3.17Å; T130-L205 HydrophobicContact CG2-CD2 4.42Å; T130-L205 HydrophobicContact CG2-CG 4.34Å; L139-L205 HydrophobicContact CD2-CD2 3.88Å; W152-L205 HydrophobicContact CH2-CD2 3.6Å; W152-L205 HydrophobicContact CZ2-CD2 3.79Å; L205-V230 WeakPolarHBondContact CA-O 3.48Å; L205-V230 HydrophobicContact CD1-CB 3.72Å; L205-V230 HydrophobicContact CD1-CG1 3.55Å; L205-Q440 HydrophobicContact CD1-CB 3.91Å; L205-Q440 HydrophobicContact CD1-CG 3.81Å; L205-Q440 HydrophobicContact CD2-CB 4.41Å; L205-L444 HydrophobicContact CB-CD1 4.44Å; L205-L444 HydrophobicContact CD2-CD1 4.29Å
206	D	98.4	Very high	96.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	145.6	-168.6	-152.4	-1	0	0	0	111.2	I204 G209 L211 T212 V230 E231 E232	I204-D206 HydrophobicContact CG2-CB 3.88Å; D206-G209 VanDerWaalsContact OD2-C 3.22Å; D206-G209 WeakPolarHBondContact OD2-CA 3.4Å; D206-L211 PolarHBondContact OD2-N 3.45Å; D206-T212 WeakPolarHBondContact OD2-CB 3.32Å; D206-T212 PolarHBondContact OD2-N 3.38Å; D206-T212 PolarHBondContact OD2-OG1 2.79Å; D206-V230 PolarHBondContact N-O 2.99Å; D206-E231 WeakPolarHBondContact O-CA 3.41Å; D206-E232 PolarHBondContact O-N 3.33Å
207	D	95.1	Very high	96.5	Very high	24 Å²	24	38.9 Å²	38.9	13%	0.128	21%	0.207	C	C	.	.	S	Bend	trans	-133.2	91	175.9	177.5	23.8	0	0	0	108.4	C129 T130 H131 C155 E232 S233	C129-D207 PolarHBondContact O-N 3.15Å; T130-D207 HydrophobicContact CG2-CB 4.09Å; H131-D207 IonicContact CD2-OD2 3.76Å; H131-D207 IonicContact NE2-OD2 2.69Å; C155-D207 HydrophobicContact CB-CB 4.49Å; C155-D207 VanDerWaalsContact CB-O 3.26Å; C155-D207 WeakPolarHBondContact CB-O 3.02Å; D207-E232 HydrophobicContact CB-CB 4.05Å; D207-S233 WeakPolarHBondContact OD1-CB 3.47Å
208	G	87.1	Confident	96.8	Very high	15 Å²	15	35.4 Å²	35.4	16%	0.155	19%	0.189	C	C	.	.	S	Bend	trans	122.1	-18.1	-178.5	0	0	0	0	0	113.8	E231 S233 R239	G208-E231 PolarHBondContact N-OE1 3.16Å; G208-S233 VanDerWaalsContact CA-OG 3.25Å; G208-S233 WeakPolarHBondContact CA-OG 3.26Å; G208-S233 PolarHBondContact N-OG 2.75Å; G208-R239 PolarHBondContact O-NH1 3.36Å
209	G	92.6	Very high	97	Very high	5 Å²	5	33.7 Å²	33.7	5%	0.052	16%	0.156	C	C	.	.	S	Bend	trans	82.7	10.7	176.8	0	0	0	0	0	114.8	D206 H213 E231	D206-G209 VanDerWaalsContact OD2-C 3.22Å; D206-G209 WeakPolarHBondContact OD2-CA 3.4Å; G209-H213 VanDerWaalsContact O-CB 3.23Å; G209-H213 WeakPolarHBondContact O-CB 3.3Å; G209-H213 PolarHBondContact O-N 3.21Å; G209-E231 VanDerWaalsContact CA-OE2 3.3Å; G209-E231 WeakPolarHBondContact CA-OE2 3.38Å; G209-E231 PolarHBondContact N-OE2 3.38Å; G209-E231 VanDerWaalsContact N-OE2 3.14Å
210	D	95	Very high	97	Very high	35 Å²	35	35.2 Å²	35.2	19%	0.187	17%	0.17	C	C	.	.	H	α-helix	trans	-77.2	-39.1	-175.2	-72	-28.5	0	0	0	112.2	F186 W187 I190 H213 W214 R239	F186-D210 HydrophobicContact CE1-CB 4.49Å; F186-D210 HydrophobicContact CZ-CB 4.44Å; W187-D210 HydrophobicContact CH2-CB 3.91Å; W187-D210 HydrophobicContact CZ3-CB 4.08Å; I190-D210 HydrophobicContact CD1-CB 4.26Å; D210-H213 PolarHBondContact O-N 3.17Å; D210-W214 WeakPolarHBondContact O-CB 3.5Å; D210-W214 PolarHBondContact O-N 2.9Å; D210-R239 IonicContact OD1-CZ 3.45Å; D210-R239 IonicContact OD1-NH1 3.56Å; D210-R239 PolarHBondContact OD1-NH1 2.92Å; D210-R239 IonicContact OD1-NH2 2.75Å
211	L	98.3	Very high	97	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.3	-45.1	172.9	178.1	77.8	0	0	0	110.8	V127 C129 I190 V194 I204 D206 H213 W214 I215	V127-L211 HydrophobicContact CB-CD1 4.37Å; V127-L211 HydrophobicContact CB-CD2 4.02Å; V127-L211 HydrophobicContact CG2-CD1 4.5Å; V127-L211 HydrophobicContact CG2-CD2 3.9Å; V127-L211 HydrophobicContact CG2-CG 4.46Å; V127-L211 WeakPolarHBondContact O-CD2 3.25Å; C129-L211 HydrophobicContact CB-CB 3.45Å; C129-L211 VanDerWaalsContact CB-CB 3.45Å; C129-L211 HydrophobicContact CB-CD1 4.35Å; C129-L211 HydrophobicContact CB-CD2 3.74Å; C129-L211 HydrophobicContact CB-CG 4.05Å; I190-L211 HydrophobicContact CG2-CD1 3.98Å; V194-L211 HydrophobicContact CG2-CD1 3.4Å; V194-L211 VanDerWaalsContact CG2-CD1 3.4Å; I204-L211 HydrophobicContact CG2-CD2 3.98Å; D206-L211 PolarHBondContact OD2-N 3.45Å; L211-H213 VanDerWaalsContact C-N 3.33Å; L211-H213 PolarHBondContact O-N 3.36Å; L211-W214 PolarHBondContact O-N 2.96Å; L211-I215 HydrophobicContact CD1-CD1 4.33Å; L211-I215 HydrophobicContact CG-CD1 4.1Å; L211-I215 WeakPolarHBondContact O-CG1 3.23Å; L211-I215 PolarHBondContact O-N 3.39Å
212	T	98.3	Very high	96.9	Very high	6 Å²	6	36.8 Å²	36.8	4%	0.037	18%	0.181	C	C	.	.	H	α-helix	trans	-57.1	-47.7	174.1	-62.4	0	0	0	0	110.6	D206 Y216 F223 I229 L240	D206-T212 WeakPolarHBondContact OD2-CB 3.32Å; D206-T212 PolarHBondContact OD2-N 3.38Å; D206-T212 PolarHBondContact OD2-OG1 2.79Å; T212-Y216 VanDerWaalsContact O-CB 3.23Å; T212-Y216 WeakPolarHBondContact O-CB 3.38Å; T212-Y216 PolarHBondContact O-N 3.47Å; T212-F223 HydrophobicContact CG2-CE2 4.11Å; T212-I229 HydrophobicContact CG2-CD1 3.82Å; T212-L240 HydrophobicContact CG2-CD2 4.19Å
213	H	97	Very high	96.9	Very high	86 Å²	86	35.6 Å²	35.6	40%	0.398	17%	0.174	S	C	.	.	H	α-helix	trans	-62.4	-43.5	177.9	-173.9	79.9	0	0	0	112.1	G209 D210 L211 Y216 K217	G209-H213 VanDerWaalsContact O-CB 3.23Å; G209-H213 WeakPolarHBondContact O-CB 3.3Å; G209-H213 PolarHBondContact O-N 3.21Å; D210-H213 PolarHBondContact O-N 3.17Å; L211-H213 VanDerWaalsContact C-N 3.33Å; L211-H213 PolarHBondContact O-N 3.36Å; H213-Y216 PolarHBondContact O-N 2.95Å; H213-K217 WeakPolarHBondContact O-CB 3.35Å; H213-K217 WeakPolarHBondContact O-CG 3.46Å; H213-K217 PolarHBondContact O-N 3.28Å
214	W	98.3	Very high	96.8	Very high	30 Å²	30	42.3 Å²	42.3	11%	0.114	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-49.3	179.5	-167.6	-103.3	0	0	0	111.7	W187 I190 D191 D210 L211 K217 K218 Y219	W187-W214 HydrophobicContact CB-CH2 3.78Å; W187-W214 HydrophobicContact CB-CZ3 3.97Å; W187-W214 HydrophobicContact CD2-CE3 4.08Å; W187-W214 HydrophobicContact CD2-CH2 4.44Å; W187-W214 AromaticContact CD2-CZ3 3.72Å; W187-W214 HydrophobicContact CD2-CZ3 3.72Å; W187-W214 HydrophobicContact CE3-CD2 4.08Å; W187-W214 AromaticContact CE3-CE3 3.29Å; W187-W214 HydrophobicContact CE3-CE3 3.29Å; W187-W214 HydrophobicContact CE3-CH2 4.29Å; W187-W214 AromaticContact CE3-CZ3 3.42Å; W187-W214 HydrophobicContact CE3-CZ3 3.42Å; W187-W214 VanDerWaalsContact CE3-CZ3 3.42Å; W187-W214 HydrophobicContact CG-CH2 4.26Å; W187-W214 AromaticContact CG-CZ3 3.96Å; W187-W214 HydrophobicContact CG-CZ3 3.96Å; W187-W214 HydrophobicContact CZ3-CD2 4.5Å; W187-W214 AromaticContact CZ3-CE3 3.72Å; W187-W214 HydrophobicContact CZ3-CE3 3.72Å; W187-W214 HydrophobicContact CZ3-CZ3 4.21Å; I190-W214 HydrophobicContact CG2-CB 3.77Å; I190-W214 HydrophobicContact CG2-CD2 4.27Å; I190-W214 HydrophobicContact CG2-CG 3.65Å; D191-W214 HydrophobicContact CB-CZ2 4.01Å; D191-W214 PolarHBondContact OD1-NE1 2.89Å; D210-W214 WeakPolarHBondContact O-CB 3.5Å; D210-W214 PolarHBondContact O-N 2.9Å; L211-W214 PolarHBondContact O-N 2.96Å; W214-K217 PolarHBondContact O-N 2.96Å; W214-K218 HydrophobicContact CD2-CD 4.11Å; W214-K218 HydrophobicContact CD2-CG 4.32Å; W214-K218 HydrophobicContact CE3-CD 4.38Å; W214-K218 HydrophobicContact CH2-CD 3.97Å; W214-K218 HydrophobicContact CZ2-CD 3.58Å; W214-K218 VanDerWaalsContact CZ2-CE 3.48Å; W214-K218 HydrophobicContact CZ3-CD 4.32Å; W214-K218 WeakPolarHBondContact O-CB 3.35Å; W214-K218 PolarHBondContact O-N 3.02Å; W214-Y219 AromaticContact CD1-CE2 3.9Å; W214-Y219 AromaticContact NE1-CE2 3.71Å
215	I	98.3	Very high	96.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-44.6	178.1	-60.5	167	0	0	0	110.3	V127 V194 I204 L211 K217 Y219 M222 F223	V127-I215 HydrophobicContact CG2-CD1 4Å; V194-I215 HydrophobicContact CG1-CD1 4.26Å; V194-I215 HydrophobicContact CG1-CG1 3.79Å; V194-I215 HydrophobicContact CG2-CD1 3.91Å; V194-I215 HydrophobicContact CG2-CG1 3.87Å; I204-I215 HydrophobicContact CD1-CD1 3.6Å; I204-I215 HydrophobicContact CG1-CD1 3.9Å; L211-I215 HydrophobicContact CD1-CD1 4.33Å; L211-I215 HydrophobicContact CG-CD1 4.1Å; L211-I215 WeakPolarHBondContact O-CG1 3.23Å; L211-I215 PolarHBondContact O-N 3.39Å; I215-K217 VanDerWaalsContact C-N 3.34Å; I215-K217 PolarHBondContact O-N 2.87Å; I215-Y219 CarbonylContact O-C 3.55Å; I215-Y219 VanDerWaalsContact O-CA 3.28Å; I215-Y219 WeakPolarHBondContact O-CA 3.41Å; I215-Y219 PolarHBondContact O-N 2.97Å; I215-M222 HydrophobicContact CG2-CB 4.49Å; I215-M222 HydrophobicContact CG2-CG 4.4Å; I215-M222 HydrophobicContact CG2-SD 4.16Å; I215-F223 HydrophobicContact CB-CD2 4.25Å; I215-F223 HydrophobicContact CG2-CB 3.95Å; I215-F223 HydrophobicContact CG2-CD2 3.88Å; I215-F223 HydrophobicContact CG2-CG 4.43Å
216	Y	97.6	Very high	96.7	Very high	51 Å²	51	50.4 Å²	50.4	20%	0.2	24%	0.239	C	C	.	.	H	α-helix	trans	-58.3	-43.4	177.9	172.1	-108.1	0	0	0	112.6	T212 H213 F223 L243	T212-Y216 VanDerWaalsContact O-CB 3.23Å; T212-Y216 WeakPolarHBondContact O-CB 3.38Å; T212-Y216 PolarHBondContact O-N 3.47Å; H213-Y216 PolarHBondContact O-N 2.95Å; Y216-F223 AromaticContact CD2-CD1 3.88Å; Y216-F223 HydrophobicContact CD2-CD1 3.88Å; Y216-F223 AromaticContact CD2-CE1 3.79Å; Y216-F223 HydrophobicContact CD2-CE1 3.79Å; Y216-F223 HydrophobicContact CD2-CG 4.37Å; Y216-F223 HydrophobicContact CD2-CZ 4.22Å; Y216-L243 HydrophobicContact CE1-CD2 4.13Å
217	K	97.1	Very high	96.7	Very high	128 Å²	128	55.4 Å²	55.4	56%	0.557	26%	0.261	S	S	*	.	H	α-helix	trans	-82.3	-48.1	-176.2	-71.2	-61.6	-170.8	173.2	0	113.7	H213 W214 I215	H213-K217 WeakPolarHBondContact O-CB 3.35Å; H213-K217 WeakPolarHBondContact O-CG 3.46Å; H213-K217 PolarHBondContact O-N 3.28Å; W214-K217 PolarHBondContact O-N 2.96Å; I215-K217 VanDerWaalsContact C-N 3.34Å; I215-K217 PolarHBondContact O-N 2.87Å
218	K	97.8	Very high	96.9	Very high	119 Å²	119	54.2 Å²	54.2	52%	0.517	26%	0.255	S	S	.	.	H	α-helix	trans	-91.6	-29.7	-172.4	-64.9	-149	178	-179.6	0	113.4	W214 P220	W214-K218 HydrophobicContact CD2-CD 4.11Å; W214-K218 HydrophobicContact CD2-CG 4.32Å; W214-K218 HydrophobicContact CE3-CD 4.38Å; W214-K218 HydrophobicContact CH2-CD 3.97Å; W214-K218 HydrophobicContact CZ2-CD 3.58Å; W214-K218 VanDerWaalsContact CZ2-CE 3.48Å; W214-K218 HydrophobicContact CZ3-CD 4.32Å; W214-K218 WeakPolarHBondContact O-CB 3.35Å; W214-K218 PolarHBondContact O-N 3.02Å; K218-P220 WeakPolarHBondContact O-CD 3.31Å
219	Y	97.8	Very high	97.4	Very high	49 Å²	49	53.5 Å²	53.5	19%	0.192	25%	0.247	C	C	.	.			trans	-126.6	54.8	-174.7	-54.5	-72.9	0	0	0	112.3	D191 V194 N195 W214 I215 N221 M222 F223	D191-Y219 WeakPolarHBondContact OD1-CE2 3.46Å; D191-Y219 PolarHBondContact OD1-OH 2.93Å; D191-Y219 PolarHBondContact OD2-OH 3.47Å; V194-Y219 HydrophobicContact CG1-CD2 4.06Å; V194-Y219 HydrophobicContact CG1-CE2 4.3Å; N195-Y219 HydrophobicContact CB-CE1 4.22Å; N195-Y219 HydrophobicContact CB-CE2 4.34Å; N195-Y219 WeakPolarHBondContact CB-OH 3.16Å; N195-Y219 PolarHBondContact ND2-OH 2.91Å; W214-Y219 AromaticContact CD1-CE2 3.9Å; W214-Y219 AromaticContact NE1-CE2 3.71Å; I215-Y219 CarbonylContact O-C 3.55Å; I215-Y219 VanDerWaalsContact O-CA 3.28Å; I215-Y219 WeakPolarHBondContact O-CA 3.41Å; I215-Y219 PolarHBondContact O-N 2.97Å; Y219-N221 PolarHBondContact O-N 2.93Å; Y219-N221 VanDerWaalsContact O-N 3.09Å; Y219-M222 WeakPolarHBondContact O-CA 3.43Å; Y219-M222 WeakPolarHBondContact O-CB 3.39Å; Y219-M222 PolarHBondContact O-N 2.81Å; Y219-F223 PolarHBondContact O-N 2.93Å
220	P	97.1	Very high	97.7	Very high	61 Å²	61	53.3 Å²	53.3	40%	0.396	25%	0.245	S	C	.	.	H	α-helix	trans	-61.1	-28.2	-172.1	25	-35.7	0	0	0	114	K218 K224	K218-P220 WeakPolarHBondContact O-CD 3.31Å; P220-K224 WeakPolarHBondContact O-CG 3.37Å; P220-K224 PolarHBondContact O-N 3.23Å
221	N	97	Very high	97.9	Very high	120 Å²	120	51.6 Å²	51.6	64%	0.642	24%	0.236	S	C	*	.	H	α-helix	trans	-72.3	-32.7	175.1	-69	-30.6	0	0	0	112.7	Y219	Y219-N221 PolarHBondContact O-N 2.93Å; Y219-N221 VanDerWaalsContact O-N 3.09Å
222	M	97.6	Very high	97.7	Very high	14 Å²	14	52.7 Å²	52.7	7%	0.069	24%	0.241	C	C	.	.	H	α-helix	trans	-72.3	-43.5	172.1	-176.6	-167.8	-75.7	0	0	109.8	V194 P201 I215 Y219 K224 K225 I226	V194-M222 HydrophobicContact CG1-CE 3.97Å; V194-M222 HydrophobicContact CG1-SD 3.51Å; V194-M222 VanDerWaalsContact CG1-SD 3.51Å; P201-M222 VanDerWaalsContact CD-SD 3.58Å; P201-M222 HydrophobicContact CG-CE 4.43Å; P201-M222 HydrophobicContact CG-CG 4.06Å; P201-M222 HydrophobicContact CG-SD 3.46Å; P201-M222 WeakPolarHBondContact CG-SD 3.28Å; I215-M222 HydrophobicContact CG2-CB 4.49Å; I215-M222 HydrophobicContact CG2-CG 4.4Å; I215-M222 HydrophobicContact CG2-SD 4.16Å; Y219-M222 WeakPolarHBondContact O-CA 3.43Å; Y219-M222 WeakPolarHBondContact O-CB 3.39Å; Y219-M222 PolarHBondContact O-N 2.81Å; M222-K224 VanDerWaalsContact C-N 3.29Å; M222-K224 PolarHBondContact O-N 2.82Å; M222-K225 WeakPolarHBondContact O-CA 3.37Å; M222-K225 WeakPolarHBondContact O-CB 3.37Å; M222-K225 PolarHBondContact O-N 2.63Å; M222-I226 PolarHBondContact O-N 3.41Å
223	F	97.9	Very high	97.2	Very high	3 Å²	3	53.2 Å²	53.2	1%	0.013	25%	0.245	C	C	.	.	H	α-helix	trans	-52.9	-45.5	179.1	-167.8	-104.9	0	0	0	112.3	T212 I215 Y216 Y219 K225 I226 I229 L249 C250 V251	T212-F223 HydrophobicContact CG2-CE2 4.11Å; I215-F223 HydrophobicContact CB-CD2 4.25Å; I215-F223 HydrophobicContact CG2-CB 3.95Å; I215-F223 HydrophobicContact CG2-CD2 3.88Å; I215-F223 HydrophobicContact CG2-CG 4.43Å; Y216-F223 AromaticContact CD2-CD1 3.88Å; Y216-F223 HydrophobicContact CD2-CD1 3.88Å; Y216-F223 AromaticContact CD2-CE1 3.79Å; Y216-F223 HydrophobicContact CD2-CE1 3.79Å; Y216-F223 HydrophobicContact CD2-CG 4.37Å; Y216-F223 HydrophobicContact CD2-CZ 4.22Å; Y219-F223 PolarHBondContact O-N 2.93Å; F223-K225 PolarHBondContact O-N 2.81Å; F223-K225 VanDerWaalsContact O-N 3.1Å; F223-I226 WeakPolarHBondContact O-CB 3.41Å; F223-I226 PolarHBondContact O-N 3.13Å; F223-I226 VanDerWaalsContact O-N 3.13Å; F223-I229 HydrophobicContact CE2-CD1 4.03Å; F223-I229 HydrophobicContact CZ-CD1 4.04Å; F223-L249 HydrophobicContact CZ-CD1 4.22Å; F223-C250 VanDerWaalsContact CD1-SG 3.54Å; F223-V251 HydrophobicContact CE1-CG2 3.99Å; F223-V251 HydrophobicContact CE2-CG2 4.28Å; F223-V251 HydrophobicContact CZ-CG2 3.75Å; F223-V251 WeakPolarHBondContact O-CG1 3.38Å
224	K	97.4	Very high	96.6	Very high	143 Å²	143	53.3 Å²	53.3	62%	0.622	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.6	177.3	-70.2	173.3	-176.6	178.3	0	114.8	P220 M222	P220-K224 WeakPolarHBondContact O-CG 3.37Å; P220-K224 PolarHBondContact O-N 3.23Å; M222-K224 VanDerWaalsContact C-N 3.29Å; M222-K224 PolarHBondContact O-N 2.82Å
225	K	97.2	Very high	95.8	Very high	163 Å²	163	53.2 Å²	53.2	71%	0.709	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-6	-179.7	-64.2	-178.6	179.7	-178.6	0	113	M222 F223 K227	M222-K225 WeakPolarHBondContact O-CA 3.37Å; M222-K225 WeakPolarHBondContact O-CB 3.37Å; M222-K225 PolarHBondContact O-N 2.63Å; F223-K225 PolarHBondContact O-N 2.81Å; F223-K225 VanDerWaalsContact O-N 3.1Å; K225-K227 PolarHBondContact O-N 3.35Å
226	I	98.4	Very high	95.3	Very high	7 Å²	7	53.2 Å²	53.2	4%	0.036	25%	0.254	C	S	.	.			trans	-65.3	129	173.5	-61.9	-62.5	0	0	0	108.5	P201 I204 M222 F223 G228 I229 V251	P201-I226 HydrophobicContact CB-CD1 4.01Å; P201-I226 HydrophobicContact CG-CD1 4.09Å; P201-I226 WeakPolarHBondContact O-CD1 3.28Å; I204-I226 HydrophobicContact CD1-CD1 4.28Å; I204-I226 HydrophobicContact CD1-CG1 4.02Å; I204-I226 HydrophobicContact CD1-CG2 4.1Å; I204-I226 HydrophobicContact CG1-CD1 4.27Å; I204-I226 HydrophobicContact CG1-CG1 4.5Å; I204-I226 HydrophobicContact CG1-CG2 4.26Å; M222-I226 PolarHBondContact O-N 3.41Å; F223-I226 WeakPolarHBondContact O-CB 3.41Å; F223-I226 PolarHBondContact O-N 3.13Å; F223-I226 VanDerWaalsContact O-N 3.13Å; I226-G228 WeakPolarHBondContact CG2-O 3.23Å; I226-I229 HydrophobicContact CG2-CG1 4.41Å; I226-V251 HydrophobicContact CB-CG1 4.22Å; I226-V251 WeakPolarHBondContact O-CG1 3.49Å
227	K	98.1	Very high	95.2	Very high	104 Å²	104	51 Å²	51	45%	0.452	25%	0.246	S	C	.	.			trans	-74.9	-31.7	176	-75.6	-171.2	165.2	-164.5	0	112.3	N202 M203 K225 P252 Y448	N202-K227 WeakPolarHBondContact O-CB 3.42Å; N202-K227 PolarHBondContact O-N 3.16Å; M203-K227 HydrophobicContact SD-CB 3.71Å; K225-K227 PolarHBondContact O-N 3.35Å; K227-P252 WeakPolarHBondContact O-CD 3.31Å; K227-P252 WeakPolarHBondContact O-CG 3.12Å; K227-Y448 HydrophobicContact CD-CD2 3.99Å; K227-Y448 HydrophobicContact CD-CE2 4.08Å
228	G	98.4	Very high	94.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	156.5	176.6	0	0	0	0	0	115.1	I204 I226 P252	I204-G228 PolarHBondContact N-O 2.98Å; I226-G228 WeakPolarHBondContact CG2-O 3.23Å; G228-P252 VanDerWaalsContact CA-O 3.3Å; G228-P252 WeakPolarHBondContact CA-O 3.37Å
229	I	98.9	Very high	94.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.1	177.1	-61.2	165.6	0	0	0	108.5	I204 T212 F223 I226 L240 L249 V251 P252 A253 M254 L447	I204-I229 HydrophobicContact CB-CB 4.43Å; I204-I229 HydrophobicContact CB-CG1 4.09Å; I204-I229 HydrophobicContact CB-CG2 4.42Å; I204-I229 HydrophobicContact CD1-CG1 3.98Å; I204-I229 HydrophobicContact CG2-CG1 4.44Å; I204-I229 HydrophobicContact CG2-CG2 4.03Å; T212-I229 HydrophobicContact CG2-CD1 3.82Å; F223-I229 HydrophobicContact CE2-CD1 4.03Å; F223-I229 HydrophobicContact CZ-CD1 4.04Å; I226-I229 HydrophobicContact CG2-CG1 4.41Å; I229-L240 HydrophobicContact CD1-CD2 4.1Å; I229-L240 HydrophobicContact CG2-CD1 4.31Å; I229-L240 HydrophobicContact CG2-CD2 4.45Å; I229-L249 HydrophobicContact CD1-CD1 4.25Å; I229-V251 HydrophobicContact CD1-CG2 3.47Å; I229-V251 VanDerWaalsContact CD1-CG2 3.47Å; I229-V251 HydrophobicContact CG1-CG2 4Å; I229-P252 PolarHBondContact N-O 3.08Å; I229-A253 HydrophobicContact CB-CB 3.92Å; I229-A253 HydrophobicContact CG2-CB 4.34Å; I229-A253 CarbonylContact O-C 3.57Å; I229-A253 VanDerWaalsContact O-CA 3.27Å; I229-A253 WeakPolarHBondContact O-CA 3.37Å; I229-M254 PolarHBondContact O-N 3.13Å; I229-L447 WeakPolarHBondContact O-CD1 3.27Å
230	V	98.8	Very high	94.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.5	167.2	177.9	0	0	0	0	107.8	I204 L205 D206 V256 Q440 A443 L444 L447	I204-V230 PolarHBondContact O-N 3.09Å; L205-V230 WeakPolarHBondContact CA-O 3.48Å; L205-V230 HydrophobicContact CD1-CB 3.72Å; L205-V230 HydrophobicContact CD1-CG1 3.55Å; D206-V230 PolarHBondContact N-O 2.99Å; V230-V256 HydrophobicContact CG1-CB 4.44Å; V230-V256 HydrophobicContact CG1-CG1 3.71Å; V230-V256 HydrophobicContact CG1-CG2 3.8Å; V230-Q440 HydrophobicContact CG1-CG 4.45Å; V230-A443 HydrophobicContact CB-CB 4.39Å; V230-A443 HydrophobicContact CG1-CB 3.73Å; V230-A443 HydrophobicContact CG2-CB 3.68Å; V230-L444 HydrophobicContact CB-CD2 4.39Å; V230-L444 HydrophobicContact CG2-CD2 3.82Å; V230-L444 HydrophobicContact CG2-CG 3.92Å; V230-L447 HydrophobicContact CG2-CD1 3.72Å
231	E	98.3	Very high	94.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.4	-175.4	173.4	64.5	-127.9	0	0	112.2	D206 G208 G209 S233 G236 V237 L240 M254 V256	D206-E231 WeakPolarHBondContact O-CA 3.41Å; G208-E231 PolarHBondContact N-OE1 3.16Å; G209-E231 VanDerWaalsContact CA-OE2 3.3Å; G209-E231 WeakPolarHBondContact CA-OE2 3.38Å; G209-E231 PolarHBondContact N-OE2 3.38Å; G209-E231 VanDerWaalsContact N-OE2 3.14Å; E231-S233 WeakPolarHBondContact OE1-CB 3.38Å; E231-S233 PolarHBondContact OE1-N 2.65Å; E231-S233 PolarHBondContact OE1-OG 3.5Å; E231-G236 VanDerWaalsContact CD-CA 3.48Å; E231-V237 HydrophobicContact CB-CG2 4.28Å; E231-V237 HydrophobicContact CG-CG2 3.75Å; E231-L240 HydrophobicContact CB-CD1 3.57Å; E231-L240 HydrophobicContact CG-CD1 3.94Å; E231-M254 PolarHBondContact N-O 3.02Å; E231-V256 WeakPolarHBondContact O-CG2 3.36Å; E231-V256 PolarHBondContact O-N 3.22Å; E231-V256 VanDerWaalsContact O-N 3.15Å
232	E	93.4	Very high	94.3	Very high	23 Å²	23	46.7 Å²	46.7	11%	0.107	22%	0.215	C	C	.	.			trans	-86.7	-32.8	-174.1	-176.2	179	168.2	0	0	114.7	D206 D207 N257 K262 T436 Q440	D206-E232 PolarHBondContact O-N 3.33Å; D207-E232 HydrophobicContact CB-CB 4.05Å; E232-N257 WeakPolarHBondContact O-CA 3.48Å; E232-N257 WeakPolarHBondContact O-CB 3.18Å; E232-N257 PolarHBondContact O-OD1 3.01Å; E232-K262 PolarHBondContact O-NZ 3.03Å; E232-T436 HydrophobicContact CG-CG2 4Å; E232-T436 WeakPolarHBondContact OE1-CG2 3.38Å; E232-Q440 PolarHBondContact OE2-NE2 2.83Å
233	S	88.1	Confident	94.2	Very high	16 Å²	16	47.5 Å²	47.5	11%	0.112	22%	0.22	C	C	.	.	S	Bend	trans	-97.7	150.1	-165.5	74.7	0	0	0	0	113.1	D207 G208 E231 T235 G236 V237	D207-S233 WeakPolarHBondContact OD1-CB 3.47Å; G208-S233 VanDerWaalsContact CA-OG 3.25Å; G208-S233 WeakPolarHBondContact CA-OG 3.26Å; G208-S233 PolarHBondContact N-OG 2.75Å; E231-S233 WeakPolarHBondContact OE1-CB 3.38Å; E231-S233 PolarHBondContact OE1-N 2.65Å; E231-S233 PolarHBondContact OE1-OG 3.5Å; S233-T235 PolarHBondContact O-N 2.85Å; S233-G236 PolarHBondContact O-N 2.89Å; S233-G236 WeakPolarHBondContact OG-CA 3.49Å; S233-G236 PolarHBondContact OG-N 3.37Å; S233-V237 WeakPolarHBondContact O-CB 3.41Å; S233-V237 VanDerWaalsContact O-CG2 3.24Å; S233-V237 WeakPolarHBondContact O-CG2 3.4Å; S233-V237 PolarHBondContact O-N 2.67Å
234	V	84.6	Confident	94.1	Very high	89 Å²	89	48.6 Å²	48.6	54%	0.539	23%	0.228	S	C	.	.	H	α-helix	trans	-53.5	-43.6	170.8	177.2	0	0	0	0	111	H238 N257	V234-H238 WeakPolarHBondContact O-CB 3.41Å; V234-H238 PolarHBondContact O-N 2.87Å; V234-N257 WeakPolarHBondContact CG2-ND2 3.36Å
235	T	81.3	Confident	94	Very high	28 Å²	28	50.5 Å²	50.5	17%	0.172	24%	0.236	C	C	.	.	H	α-helix	trans	-71.6	-45.5	-175	-59.7	0	0	0	0	112.4	S233 V237 H238 R239 H377	S233-T235 PolarHBondContact O-N 2.85Å; T235-V237 VanDerWaalsContact C-N 3.33Å; T235-H238 WeakPolarHBondContact O-CB 3.38Å; T235-H238 PolarHBondContact O-N 2.93Å; T235-R239 WeakPolarHBondContact O-CG 3.33Å; T235-R239 PolarHBondContact O-N 3.48Å; T235-H377 WeakPolarHBondContact CB-NE2 3.3Å; T235-H377 PolarHBondContact OG1-CD2 3.34Å; T235-H377 PolarHBondContact OG1-CE1 2.84Å; T235-H377 PolarHBondContact OG1-NE2 3.34Å
236	G	89.6	Confident	93.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-42.1	176.3	0	0	0	0	0	111.3	E231 S233 H238 R239 L240	E231-G236 VanDerWaalsContact CD-CA 3.48Å; S233-G236 PolarHBondContact O-N 2.89Å; S233-G236 WeakPolarHBondContact OG-CA 3.49Å; S233-G236 PolarHBondContact OG-N 3.37Å; G236-H238 VanDerWaalsContact C-N 3.32Å; G236-H238 PolarHBondContact O-N 2.81Å; G236-R239 WeakPolarHBondContact O-CB 3.34Å; G236-R239 PolarHBondContact O-N 3.21Å; G236-R239 VanDerWaalsContact O-N 3.17Å; G236-L240 WeakPolarHBondContact O-CG 3.2Å; G236-L240 PolarHBondContact O-N 3.15Å
237	V	94.1	Very high	93.8	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.03	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-43.3	173.2	168.1	0	0	0	0	111.1	E231 S233 T235 R239 L240 Y241 N255 N257	E231-V237 HydrophobicContact CB-CG2 4.28Å; E231-V237 HydrophobicContact CG-CG2 3.75Å; S233-V237 WeakPolarHBondContact O-CB 3.41Å; S233-V237 VanDerWaalsContact O-CG2 3.24Å; S233-V237 WeakPolarHBondContact O-CG2 3.4Å; S233-V237 PolarHBondContact O-N 2.67Å; T235-V237 VanDerWaalsContact C-N 3.33Å; V237-R239 VanDerWaalsContact C-N 3.34Å; V237-R239 PolarHBondContact O-N 2.95Å; V237-L240 WeakPolarHBondContact O-CB 3.31Å; V237-L240 PolarHBondContact O-N 3.48Å; V237-Y241 HydrophobicContact CG1-CD2 3.66Å; V237-Y241 HydrophobicContact CG1-CE2 3.37Å; V237-Y241 VanDerWaalsContact O-CD2 3.31Å; V237-Y241 WeakPolarHBondContact O-CD2 3.28Å; V237-Y241 PolarHBondContact O-N 3.05Å; V237-N255 HydrophobicContact CG1-CB 4.23Å; V237-N255 WeakPolarHBondContact CG1-ND2 3.26Å; V237-N255 HydrophobicContact CG2-CB 3.99Å; V237-N255 WeakPolarHBondContact CG2-OD1 3.24Å; V237-N257 HydrophobicContact CG2-CB 4Å
238	H	89.5	Confident	93.7	Very high	109 Å²	109	49.3 Å²	49.3	51%	0.505	26%	0.262	S	S	.	.	H	α-helix	trans	-60.9	-42.9	176.7	-171.3	75.3	0	0	0	112	V234 T235 G236 L240 Y241 Q242	V234-H238 WeakPolarHBondContact O-CB 3.41Å; V234-H238 PolarHBondContact O-N 2.87Å; T235-H238 WeakPolarHBondContact O-CB 3.38Å; T235-H238 PolarHBondContact O-N 2.93Å; G236-H238 VanDerWaalsContact C-N 3.32Å; G236-H238 PolarHBondContact O-N 2.81Å; H238-L240 VanDerWaalsContact C-N 3.33Å; H238-L240 PolarHBondContact O-N 3.25Å; H238-Y241 PolarHBondContact O-N 2.75Å; H238-Q242 PolarHBondContact CD2-NE2 3.33Å; H238-Q242 PolarHBondContact NE2-NE2 3.07Å; H238-Q242 WeakPolarHBondContact O-CG 3.37Å; H238-Q242 PolarHBondContact O-N 2.78Å
239	R	91.3	Very high	93.6	Very high	90 Å²	90	49.5 Å²	49.5	34%	0.34	26%	0.263	S	S	.	.	H	α-helix	trans	-61.3	-40.8	174.5	-68.4	171.8	179	-170.8	1.6	111.5	G208 D210 T235 G236 V237 Q242 L243	G208-R239 PolarHBondContact O-NH1 3.36Å; D210-R239 IonicContact OD1-CZ 3.45Å; D210-R239 IonicContact OD1-NH1 3.56Å; D210-R239 PolarHBondContact OD1-NH1 2.92Å; D210-R239 IonicContact OD1-NH2 2.75Å; T235-R239 WeakPolarHBondContact O-CG 3.33Å; T235-R239 PolarHBondContact O-N 3.48Å; G236-R239 WeakPolarHBondContact O-CB 3.34Å; G236-R239 PolarHBondContact O-N 3.21Å; G236-R239 VanDerWaalsContact O-N 3.17Å; V237-R239 VanDerWaalsContact C-N 3.34Å; V237-R239 PolarHBondContact O-N 2.95Å; R239-Q242 WeakPolarHBondContact O-CB 3.42Å; R239-Q242 PolarHBondContact O-N 2.84Å; R239-L243 WeakPolarHBondContact O-CG 3.39Å; R239-L243 PolarHBondContact O-N 2.84Å
240	L	97.7	Very high	93.4	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-44	175.6	-72.8	169.2	0	0	0	112.2	T212 I229 E231 G236 V237 H238 Q242 L243 S244 L249 A253 V459	T212-L240 HydrophobicContact CG2-CD2 4.19Å; I229-L240 HydrophobicContact CD1-CD2 4.1Å; I229-L240 HydrophobicContact CG2-CD1 4.31Å; I229-L240 HydrophobicContact CG2-CD2 4.45Å; E231-L240 HydrophobicContact CB-CD1 3.57Å; E231-L240 HydrophobicContact CG-CD1 3.94Å; G236-L240 WeakPolarHBondContact O-CG 3.2Å; G236-L240 PolarHBondContact O-N 3.15Å; V237-L240 WeakPolarHBondContact O-CB 3.31Å; V237-L240 PolarHBondContact O-N 3.48Å; H238-L240 VanDerWaalsContact C-N 3.33Å; H238-L240 PolarHBondContact O-N 3.25Å; L240-Q242 VanDerWaalsContact C-N 3.3Å; L240-Q242 PolarHBondContact O-N 3.36Å; L240-L243 PolarHBondContact O-N 3.37Å; L240-L243 VanDerWaalsContact O-N 3.16Å; L240-S244 PolarHBondContact O-N 3.08Å; L240-L249 HydrophobicContact CD2-CD1 4.01Å; L240-A253 HydrophobicContact CD1-CB 3.78Å; L240-A253 HydrophobicContact CD2-CB 3.96Å; L240-A253 HydrophobicContact CG-CB 4.38Å; L240-V459 HydrophobicContact CB-CG2 3.77Å
241	Y	96.8	Very high	93.3	Very high	75 Å²	75	51.6 Å²	51.6	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-63.1	-35.8	174.4	-78.4	-57.5	0	0	0	112.7	V237 H238 S244 K245 V459	V237-Y241 HydrophobicContact CG1-CD2 3.66Å; V237-Y241 HydrophobicContact CG1-CE2 3.37Å; V237-Y241 VanDerWaalsContact O-CD2 3.31Å; V237-Y241 WeakPolarHBondContact O-CD2 3.28Å; V237-Y241 PolarHBondContact O-N 3.05Å; H238-Y241 PolarHBondContact O-N 2.75Å; Y241-S244 PolarHBondContact O-N 3.25Å; Y241-K245 WeakPolarHBondContact O-CB 3.38Å; Y241-K245 VanDerWaalsContact O-CG 3.29Å; Y241-K245 WeakPolarHBondContact O-CG 3.42Å; Y241-K245 PolarHBondContact O-N 3.32Å; Y241-V459 HydrophobicContact CD1-CB 3.91Å; Y241-V459 HydrophobicContact CD1-CG1 4.34Å; Y241-V459 HydrophobicContact CD1-CG2 3.95Å; Y241-V459 HydrophobicContact CE1-CB 3.62Å; Y241-V459 HydrophobicContact CE1-CG1 3.84Å; Y241-V459 HydrophobicContact CE1-CG2 4.19Å; Y241-V459 HydrophobicContact CE2-CG1 4.38Å; Y241-V459 HydrophobicContact CG-CG2 4.44Å
242	Q	93.6	Very high	93.3	Very high	108 Å²	108	52.5 Å²	52.5	51%	0.505	28%	0.283	S	S	.	.	H	α-helix	trans	-63.4	-42	173.1	-69.5	175	-2.1	0	0	111.4	H238 R239 L240 A246	H238-Q242 PolarHBondContact CD2-NE2 3.33Å; H238-Q242 PolarHBondContact NE2-NE2 3.07Å; H238-Q242 WeakPolarHBondContact O-CG 3.37Å; H238-Q242 PolarHBondContact O-N 2.78Å; R239-Q242 WeakPolarHBondContact O-CB 3.42Å; R239-Q242 PolarHBondContact O-N 2.84Å; L240-Q242 VanDerWaalsContact C-N 3.3Å; L240-Q242 PolarHBondContact O-N 3.36Å; Q242-A246 WeakPolarHBondContact O-CB 3.46Å; Q242-A246 PolarHBondContact O-N 2.87Å
243	L	94.3	Very high	93.5	Very high	32 Å²	32	51.4 Å²	51.4	17%	0.168	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-43.1	175.6	-70.9	172.1	0	0	0	112	Y216 R239 L240 A246 G247 K248 L249	Y216-L243 HydrophobicContact CE1-CD2 4.13Å; R239-L243 WeakPolarHBondContact O-CG 3.39Å; R239-L243 PolarHBondContact O-N 2.84Å; L240-L243 PolarHBondContact O-N 3.37Å; L240-L243 VanDerWaalsContact O-N 3.16Å; L243-A246 PolarHBondContact O-N 3.48Å; L243-G247 PolarHBondContact O-N 3.46Å; L243-K248 HydrophobicContact CD2-CB 3.91Å; L243-K248 PolarHBondContact O-N 3.31Å; L243-L249 HydrophobicContact CB-CB 3.84Å; L243-L249 PolarHBondContact O-N 2.8Å; L243-L249 VanDerWaalsContact O-N 3.14Å
244	S	96.4	Very high	94.1	Very high	26 Å²	26	50.6 Å²	50.6	18%	0.182	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-53.6	176.5	170.9	0	0	0	0	111.3	L240 Y241 A246 G247 D458	L240-S244 PolarHBondContact O-N 3.08Å; Y241-S244 PolarHBondContact O-N 3.25Å; S244-A246 PolarHBondContact O-N 3.26Å; S244-A246 VanDerWaalsContact O-N 3.15Å; S244-G247 PolarHBondContact O-N 3.14Å; S244-D458 WeakPolarHBondContact CB-OD1 3.43Å; S244-D458 PolarHBondContact OG-OD1 3.02Å
245	K	95.5	Very high	94.7	Very high	183 Å²	183	46.4 Å²	46.4	80%	0.796	25%	0.247	S	C	*	.	H	α-helix	trans	-58.8	-30.7	178.2	-73.3	177.1	-179.2	179.2	0	113.3	Y241 G247	Y241-K245 WeakPolarHBondContact O-CB 3.38Å; Y241-K245 VanDerWaalsContact O-CG 3.29Å; Y241-K245 WeakPolarHBondContact O-CG 3.42Å; Y241-K245 PolarHBondContact O-N 3.32Å; K245-G247 VanDerWaalsContact C-N 3.31Å
246	A	96.1	Very high	95.4	Very high	58 Å²	58	45.1 Å²	45.1	48%	0.479	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	0.3	176.8	0	0	0	0	0	114	Q242 L243 S244 K248	Q242-A246 WeakPolarHBondContact O-CB 3.46Å; Q242-A246 PolarHBondContact O-N 2.87Å; L243-A246 PolarHBondContact O-N 3.48Å; S244-A246 PolarHBondContact O-N 3.26Å; S244-A246 VanDerWaalsContact O-N 3.15Å; A246-K248 HydrophobicContact CB-CD 4.07Å; A246-K248 HydrophobicContact CB-CG 4.13Å; A246-K248 PolarHBondContact O-N 2.99Å
247	G	95.3	Very high	95.5	Very high	73 Å²	73	45.3 Å²	45.3	75%	0.753	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.7	23.1	-175.2	0	0	0	0	0	113.8	L243 S244 K245	L243-G247 PolarHBondContact O-N 3.46Å; S244-G247 PolarHBondContact O-N 3.14Å; K245-G247 VanDerWaalsContact C-N 3.31Å
248	K	95.9	Very high	95.5	Very high	117 Å²	117	47.3 Å²	47.3	51%	0.509	25%	0.251	S	S	.	.			trans	-103.7	-18.1	-175.6	-70.6	178.1	-179.4	178.1	0	113.6	L243 A246 C250	L243-K248 HydrophobicContact CD2-CB 3.91Å; L243-K248 PolarHBondContact O-N 3.31Å; A246-K248 HydrophobicContact CB-CD 4.07Å; A246-K248 HydrophobicContact CB-CG 4.13Å; A246-K248 PolarHBondContact O-N 2.99Å; K248-C250 PolarHBondContact O-N 3.31Å
249	L	96.9	Very high	95.7	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	23%	0.228	C	C	.	.			trans	-78.4	103.9	175.4	-175.9	61.5	0	0	0	109.2	F223 I229 L240 L243 V251 A253 Q457 V459	F223-L249 HydrophobicContact CZ-CD1 4.22Å; I229-L249 HydrophobicContact CD1-CD1 4.25Å; L240-L249 HydrophobicContact CD2-CD1 4.01Å; L243-L249 HydrophobicContact CB-CB 3.84Å; L243-L249 PolarHBondContact O-N 2.8Å; L243-L249 VanDerWaalsContact O-N 3.14Å; L249-V251 HydrophobicContact CD1-CG2 4.19Å; L249-V251 WeakPolarHBondContact CD1-O 3.43Å; L249-V251 VanDerWaalsContact CG-O 3.28Å; L249-V251 WeakPolarHBondContact CG-O 3.49Å; L249-A253 HydrophobicContact CD2-CB 4.33Å; L249-Q457 WeakPolarHBondContact O-CB 3.41Å; L249-V459 HydrophobicContact CD2-CG2 3.85Å
250	C	94.4	Very high	95.7	Very high	40 Å²	40	39.3 Å²	39.3	27%	0.27	22%	0.22	S	C	.	.			trans	-98.4	6.8	-177	65.5	0	0	0	0	114.5	F223 K248 Q457	F223-C250 VanDerWaalsContact CD1-SG 3.54Å; K248-C250 PolarHBondContact O-N 3.31Å; C250-Q457 PolarHBondContact O-NE2 3.18Å
251	V	96.4	Very high	95.4	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.024	22%	0.22	C	C	.	.	S	Bend	trans	-134.4	148	179.8	-60.9	0	0	0	0	109.6	F223 I226 I229 L249	F223-V251 HydrophobicContact CE1-CG2 3.99Å; F223-V251 HydrophobicContact CE2-CG2 4.28Å; F223-V251 HydrophobicContact CZ-CG2 3.75Å; F223-V251 WeakPolarHBondContact O-CG1 3.38Å; I226-V251 HydrophobicContact CB-CG1 4.22Å; I226-V251 WeakPolarHBondContact O-CG1 3.49Å; I229-V251 HydrophobicContact CD1-CG2 3.47Å; I229-V251 VanDerWaalsContact CD1-CG2 3.47Å; I229-V251 HydrophobicContact CG1-CG2 4Å; L249-V251 HydrophobicContact CD1-CG2 4.19Å; L249-V251 WeakPolarHBondContact CD1-O 3.43Å; L249-V251 VanDerWaalsContact CG-O 3.28Å; L249-V251 WeakPolarHBondContact CG-O 3.49Å
252	P	98.3	Very high	95.1	Very high	19 Å²	19	36.2 Å²	36.2	12%	0.123	21%	0.208	C	C	.	.			trans	-66.1	141	178	25.9	-32.7	0	0	0	110.9	K227 G228 I229 L447 K456 Y460	K227-P252 WeakPolarHBondContact O-CD 3.31Å; K227-P252 WeakPolarHBondContact O-CG 3.12Å; G228-P252 VanDerWaalsContact CA-O 3.3Å; G228-P252 WeakPolarHBondContact CA-O 3.37Å; I229-P252 PolarHBondContact N-O 3.08Å; P252-L447 HydrophobicContact CB-CD2 4.14Å; P252-L447 HydrophobicContact CG-CD2 4.31Å; P252-K456 WeakPolarHBondContact CA-O 3.45Å; P252-K456 WeakPolarHBondContact CB-O 3.3Å; P252-Y460 HydrophobicContact CB-CD2 4.45Å; P252-Y460 HydrophobicContact CB-CE2 4.26Å
253	A	98.7	Very high	94.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.6	170.3	0	0	0	0	0	110.7	I229 L240 L249 D458 V459 Y460	I229-A253 HydrophobicContact CB-CB 3.92Å; I229-A253 HydrophobicContact CG2-CB 4.34Å; I229-A253 CarbonylContact O-C 3.57Å; I229-A253 VanDerWaalsContact O-CA 3.27Å; I229-A253 WeakPolarHBondContact O-CA 3.37Å; L240-A253 HydrophobicContact CD1-CB 3.78Å; L240-A253 HydrophobicContact CD2-CB 3.96Å; L240-A253 HydrophobicContact CG-CB 4.38Å; L249-A253 HydrophobicContact CD2-CB 4.33Å; A253-D458 PolarHBondContact N-O 3.41Å; A253-V459 HydrophobicContact CB-CG2 4.45Å; A253-V459 CarbonylContact O-C 3.58Å; A253-V459 WeakPolarHBondContact O-CA 3.31Å; A253-Y460 PolarHBondContact O-N 3.36Å
254	M	98.6	Very high	94.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.8	173.9	-156	162.7	-67.7	0	0	109.4	I229 E231 V256 A443 E446 L447 Y455 Y460 L462	I229-M254 PolarHBondContact O-N 3.13Å; E231-M254 PolarHBondContact N-O 3.02Å; M254-V256 PolarHBondContact O-N 2.92Å; M254-A443 HydrophobicContact CB-CB 4.49Å; M254-A443 HydrophobicContact CG-CB 4.31Å; M254-A443 HydrophobicContact SD-CB 3.72Å; M254-E446 HydrophobicContact CE-CB 4.32Å; M254-E446 HydrophobicContact CE-CG 3.81Å; M254-E446 HydrophobicContact SD-CG 4.41Å; M254-L447 HydrophobicContact CB-CD1 3.88Å; M254-L447 HydrophobicContact CB-CG 4.34Å; M254-L447 HydrophobicContact CE-CD1 4.31Å; M254-L447 HydrophobicContact CE-CD2 3.57Å; M254-L447 HydrophobicContact CE-CG 3.53Å; M254-L447 HydrophobicContact SD-CG 4.47Å; M254-Y455 HydrophobicContact CE-CE1 3.96Å; M254-Y455 HydrophobicContact CE-CE2 3.99Å; M254-Y460 CarbonylContact C-O 3Å; M254-Y460 WeakPolarHBondContact CA-O 3.37Å; M254-L462 HydrophobicContact SD-CB 4.41Å; M254-L462 HydrophobicContact SD-CD1 3.7Å
255	N	97.8	Very high	94.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	102.4	174	169.8	3.7	0	0	0	108.3	V237 N257 D258 V459 Y460 L461	V237-N255 HydrophobicContact CG1-CB 4.23Å; V237-N255 WeakPolarHBondContact CG1-ND2 3.26Å; V237-N255 HydrophobicContact CG2-CB 3.99Å; V237-N255 WeakPolarHBondContact CG2-OD1 3.24Å; N255-N257 WeakPolarHBondContact OD1-CB 3.43Å; N255-N257 PolarHBondContact OD1-N 3.44Å; N255-D258 WeakPolarHBondContact ND2-CB 3.4Å; N255-D258 VanDerWaalsContact ND2-CG 3.31Å; N255-D258 PolarHBondContact ND2-OD2 2.96Å; N255-D258 PolarHBondContact OD1-N 2.92Å; N255-V459 HydrophobicContact CB-CG1 3.87Å; N255-Y460 PolarHBondContact N-O 3.05Å; N255-L461 HydrophobicContact CB-CD2 4.4Å
256	V	96.4	Very high	93.8	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	17%	0.167	C	C	.	.			trans	-92.7	-14.4	173.5	-64.3	0	0	0	0	112	V230 E231 M254 D258 S259 K262 T439 Q440 A443	V230-V256 HydrophobicContact CG1-CB 4.44Å; V230-V256 HydrophobicContact CG1-CG1 3.71Å; V230-V256 HydrophobicContact CG1-CG2 3.8Å; E231-V256 WeakPolarHBondContact O-CG2 3.36Å; E231-V256 PolarHBondContact O-N 3.22Å; E231-V256 VanDerWaalsContact O-N 3.15Å; M254-V256 PolarHBondContact O-N 2.92Å; V256-D258 PolarHBondContact O-N 3.09Å; V256-S259 WeakPolarHBondContact O-CB 3.44Å; V256-S259 PolarHBondContact O-N 2.91Å; V256-S259 PolarHBondContact O-OG 2.94Å; V256-K262 WeakPolarHBondContact O-CB 3.35Å; V256-T439 HydrophobicContact CB-CG2 3.8Å; V256-T439 HydrophobicContact CG1-CG2 3.94Å; V256-Q440 HydrophobicContact CG2-CG 4.14Å; V256-A443 HydrophobicContact CG1-CB 3.48Å; V256-A443 VanDerWaalsContact CG1-CB 3.48Å
257	N	92.6	Very high	93.3	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.027	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-42.8	170.6	-177.6	71.4	0	0	0	111.5	E232 V234 V237 N255 S259 K262 Q263	E232-N257 WeakPolarHBondContact O-CA 3.48Å; E232-N257 WeakPolarHBondContact O-CB 3.18Å; E232-N257 PolarHBondContact O-OD1 3.01Å; V234-N257 WeakPolarHBondContact CG2-ND2 3.36Å; V237-N257 HydrophobicContact CG2-CB 4Å; N255-N257 WeakPolarHBondContact OD1-CB 3.43Å; N255-N257 PolarHBondContact OD1-N 3.44Å; N257-S259 VanDerWaalsContact C-N 3.32Å; N257-K262 PolarHBondContact OD1-NZ 3.38Å; N257-Q263 WeakPolarHBondContact O-CG 3.44Å
258	D	92.4	Very high	93.2	Very high	46 Å²	46	23.8 Å²	23.8	25%	0.246	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	9.7	-175.7	-65.1	-20.1	0	0	0	114	N255 V256 Q263 L461 Y508	N255-D258 WeakPolarHBondContact ND2-CB 3.4Å; N255-D258 VanDerWaalsContact ND2-CG 3.31Å; N255-D258 PolarHBondContact ND2-OD2 2.96Å; N255-D258 PolarHBondContact OD1-N 2.92Å; V256-D258 PolarHBondContact O-N 3.09Å; D258-Q263 PolarHBondContact OD1-NE2 3.14Å; D258-L461 HydrophobicContact CB-CD2 3.83Å; D258-Y508 PolarHBondContact O-OH 2.92Å
259	S	93.4	Very high	93	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.021	11%	0.113	C	C	.	.	S	Bend	trans	-61.1	144.5	163.6	-67.7	0	0	0	0	110.6	V256 N257 T261 K262 Q263 D467	V256-S259 WeakPolarHBondContact O-CB 3.44Å; V256-S259 PolarHBondContact O-N 2.91Å; V256-S259 PolarHBondContact O-OG 2.94Å; N257-S259 VanDerWaalsContact C-N 3.32Å; S259-T261 VanDerWaalsContact C-N 3.33Å; S259-T261 PolarHBondContact O-N 3.39Å; S259-K262 PolarHBondContact O-N 2.95Å; S259-Q263 PolarHBondContact O-N 2.99Å; S259-D467 WeakPolarHBondContact CA-OD2 3.38Å; S259-D467 WeakPolarHBondContact CB-OD2 3.33Å
260	V	92.5	Very high	92.8	Very high	29 Å²	29	22.5 Å²	22.5	18%	0.176	11%	0.112	C	C	.	.	H	α-helix	trans	-51.2	-55.8	178.8	-177.2	0	0	0	0	111.6	K262 Q263 K264 K464 D467 Y508	V260-K262 VanDerWaalsContact C-N 3.32Å; V260-Q263 PolarHBondContact O-N 3.11Å; V260-K264 WeakPolarHBondContact O-CB 3.23Å; V260-K264 WeakPolarHBondContact O-CG 3.11Å; V260-K264 PolarHBondContact O-N 2.68Å; V260-K464 HydrophobicContact CG2-CD 4.44Å; V260-D467 WeakPolarHBondContact CB-OD2 3.44Å; V260-D467 HydrophobicContact CG2-CB 4.33Å; V260-D467 VanDerWaalsContact CG2-CG 3.49Å; V260-D467 WeakPolarHBondContact CG2-OD2 3.36Å; V260-D467 PolarHBondContact N-OD1 3.08Å; V260-D467 PolarHBondContact N-OD2 3.09Å; V260-Y508 WeakPolarHBondContact CA-OH 3.45Å; V260-Y508 HydrophobicContact CB-CD1 3.55Å; V260-Y508 HydrophobicContact CB-CE1 3.23Å; V260-Y508 HydrophobicContact CB-CE2 4.26Å; V260-Y508 HydrophobicContact CB-CG 4.27Å; V260-Y508 HydrophobicContact CG1-CD1 3.02Å; V260-Y508 HydrophobicContact CG1-CD2 3.95Å; V260-Y508 HydrophobicContact CG1-CE1 3.32Å; V260-Y508 HydrophobicContact CG1-CE2 4.07Å; V260-Y508 HydrophobicContact CG1-CG 3.4Å; V260-Y508 HydrophobicContact CG2-CD1 3.35Å; V260-Y508 HydrophobicContact CG2-CE1 2.84Å; V260-Y508 HydrophobicContact CG2-CG 4.47Å; V260-Y508 PolarHBondContact N-OH 3.14Å; V260-Y508 VanDerWaalsContact N-OH 3.14Å
261	T	90.9	Very high	92.7	Very high	5 Å²	5	20.9 Å²	20.9	3%	0.031	10%	0.102	C	C	.	.	H	α-helix	trans	-66.9	-42.2	-171.7	48.4	0	0	0	0	108.7	S259 F265 D467 V470 A471	S259-T261 VanDerWaalsContact C-N 3.33Å; S259-T261 PolarHBondContact O-N 3.39Å; T261-F265 VanDerWaalsContact O-CB 3.31Å; T261-F265 WeakPolarHBondContact O-CB 3.39Å; T261-F265 WeakPolarHBondContact O-CD2 3.46Å; T261-F265 PolarHBondContact O-N 2.78Å; T261-D467 WeakPolarHBondContact CB-OD1 3.33Å; T261-D467 WeakPolarHBondContact CG2-O 3.5Å; T261-D467 VanDerWaalsContact CG2-OD1 3.27Å; T261-D467 WeakPolarHBondContact CG2-OD1 3.38Å; T261-D467 PolarHBondContact N-OD1 2.93Å; T261-D467 VanDerWaalsContact N-OD1 3.12Å; T261-D467 PolarHBondContact OG1-OD1 3.26Å; T261-V470 HydrophobicContact CG2-CB 4.23Å; T261-V470 HydrophobicContact CG2-CG1 4.1Å; T261-A471 HydrophobicContact CG2-CB 3.88Å
262	K	90.6	Very high	92.6	Very high	8 Å²	8	25 Å²	25	4%	0.035	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-55.9	174.1	-156.4	-76.1	-171.6	178.3	0	111.9	E232 V256 N257 S259 V260 K264 F265 D266 T436	E232-K262 PolarHBondContact O-NZ 3.03Å; V256-K262 WeakPolarHBondContact O-CB 3.35Å; N257-K262 PolarHBondContact OD1-NZ 3.38Å; S259-K262 PolarHBondContact O-N 2.95Å; V260-K262 VanDerWaalsContact C-N 3.32Å; K262-K264 VanDerWaalsContact C-N 3.33Å; K262-K264 PolarHBondContact O-N 3.45Å; K262-F265 PolarHBondContact O-N 2.94Å; K262-D266 HydrophobicContact CD-CB 3.93Å; K262-D266 WeakPolarHBondContact CE-OD2 3.46Å; K262-D266 IonicContact NZ-OD2 2.82Å; K262-D266 PolarHBondContact NZ-OD2 2.65Å; K262-D266 VanDerWaalsContact O-CB 3.28Å; K262-D266 WeakPolarHBondContact O-CB 3.47Å; K262-D266 PolarHBondContact O-N 2.95Å; K262-T436 HydrophobicContact CG-CG2 4.43Å
263	Q	87.5	Confident	92.4	Very high	48 Å²	48	29.7 Å²	29.7	22%	0.224	14%	0.137	C	C	.	.	I	π-helix	trans	-58	-42.7	-177.3	-74.6	-162.5	-10.6	0	0	112.9	N257 D258 S259 V260 N267	N257-Q263 WeakPolarHBondContact O-CG 3.44Å; D258-Q263 PolarHBondContact OD1-NE2 3.14Å; S259-Q263 PolarHBondContact O-N 2.99Å; V260-Q263 PolarHBondContact O-N 3.11Å; Q263-N267 VanDerWaalsContact O-CB 3.28Å; Q263-N267 WeakPolarHBondContact O-CB 3.44Å; Q263-N267 PolarHBondContact O-N 3.07Å
264	K	89.8	Confident	92.2	Very high	49 Å²	49	29.8 Å²	29.8	21%	0.213	14%	0.138	C	C	.	.	I	π-helix	trans	-76.7	-36.1	-177.3	-67.9	-69.2	167.7	-168.3	0	112.8	V260 K262 L268 Y269 E299 Y508	V260-K264 WeakPolarHBondContact O-CB 3.23Å; V260-K264 WeakPolarHBondContact O-CG 3.11Å; V260-K264 PolarHBondContact O-N 2.68Å; K262-K264 VanDerWaalsContact C-N 3.33Å; K262-K264 PolarHBondContact O-N 3.45Å; K264-L268 HydrophobicContact CD-CD2 4.36Å; K264-L268 VanDerWaalsContact O-CB 3.32Å; K264-L268 WeakPolarHBondContact O-CB 3.32Å; K264-Y269 HydrophobicContact CB-CE2 4.37Å; K264-Y269 WeakPolarHBondContact O-CD2 3.2Å; K264-Y269 PolarHBondContact O-N 3.46Å; K264-Y269 VanDerWaalsContact O-N 3.15Å; K264-E299 IonicContact NZ-OE1 2.77Å; K264-E299 PolarHBondContact NZ-OE1 3.11Å; K264-E299 IonicContact NZ-OE2 2.81Å; K264-E299 PolarHBondContact NZ-OE2 2.78Å; K264-Y508 HydrophobicContact CD-CD2 4.45Å; K264-Y508 HydrophobicContact CG-CD2 4.1Å
265	F	89.1	Confident	92.2	Very high	51 Å²	51	29.8 Å²	29.8	22%	0.224	14%	0.138	C	C	.	.	I	π-helix	trans	-87	-49.3	-176.3	-71.4	-100.8	0	0	0	113.1	T261 K262 Y269 C270 F431 V432 I435	T261-F265 VanDerWaalsContact O-CB 3.31Å; T261-F265 WeakPolarHBondContact O-CB 3.39Å; T261-F265 WeakPolarHBondContact O-CD2 3.46Å; T261-F265 PolarHBondContact O-N 2.78Å; K262-F265 PolarHBondContact O-N 2.94Å; F265-Y269 HydrophobicContact CB-CD2 4.32Å; F265-Y269 AromaticContact CD1-CD2 3.68Å; F265-Y269 HydrophobicContact CD1-CD2 3.68Å; F265-Y269 HydrophobicContact CD1-CE2 4.25Å; F265-Y269 HydrophobicContact CD2-CD2 4.26Å; F265-Y269 HydrophobicContact CD2-CE2 4.33Å; F265-Y269 AromaticContact CE1-CD2 3.99Å; F265-Y269 HydrophobicContact CE1-CD2 3.99Å; F265-Y269 HydrophobicContact CE1-CE2 4.17Å; F265-Y269 HydrophobicContact CE2-CE2 4.27Å; F265-Y269 AromaticContact CG-CD2 3.84Å; F265-Y269 HydrophobicContact CG-CD2 3.84Å; F265-Y269 HydrophobicContact CG-CE2 4.35Å; F265-Y269 HydrophobicContact CZ-CD2 4.43Å; F265-Y269 HydrophobicContact CZ-CE2 4.2Å; F265-Y269 WeakPolarHBondContact O-CB 3.44Å; F265-Y269 PolarHBondContact O-N 3.21Å; F265-C270 PolarHBondContact O-N 2.94Å; F265-F431 AromaticContact CD1-CE1 3.95Å; F265-F431 HydrophobicContact CD1-CE1 3.95Å; F265-F431 AromaticContact CE1-CE1 3.86Å; F265-F431 HydrophobicContact CE1-CE1 3.86Å; F265-V432 HydrophobicContact CB-CG1 4.25Å; F265-V432 WeakPolarHBondContact O-CG1 3.33Å; F265-I435 HydrophobicContact CB-CG1 4.33Å; F265-I435 HydrophobicContact CB-CG2 4.33Å; F265-I435 HydrophobicContact CD1-CG1 4.32Å; F265-I435 HydrophobicContact CG-CG1 4.2Å
266	D	86.5	Confident	92.2	Very high	25 Å²	25	31.4 Å²	31.4	13%	0.134	15%	0.146	C	C	.	.	I	π-helix	trans	-72.4	-53.9	-179.1	-174.2	25.9	0	0	0	111.5	K262 C270 V432	K262-D266 HydrophobicContact CD-CB 3.93Å; K262-D266 WeakPolarHBondContact CE-OD2 3.46Å; K262-D266 IonicContact NZ-OD2 2.82Å; K262-D266 PolarHBondContact NZ-OD2 2.65Å; K262-D266 VanDerWaalsContact O-CB 3.28Å; K262-D266 WeakPolarHBondContact O-CB 3.47Å; K262-D266 PolarHBondContact O-N 2.95Å; D266-C270 VanDerWaalsContact O-CB 3.26Å; D266-C270 WeakPolarHBondContact O-CB 3.39Å; D266-V432 HydrophobicContact CB-CG1 4.13Å
267	N	85.8	Confident	92.1	Very high	24 Å²	24	33.7 Å²	33.7	13%	0.128	16%	0.159	C	C	.	.	I	π-helix	trans	-76.5	-41.2	-172.7	-53.6	-18.7	0	0	0	112.1	Q263 C271 E299 V300	Q263-N267 VanDerWaalsContact O-CB 3.28Å; Q263-N267 WeakPolarHBondContact O-CB 3.44Å; Q263-N267 PolarHBondContact O-N 3.07Å; N267-C271 WeakPolarHBondContact O-CB 3.47Å; N267-C271 PolarHBondContact O-SG 2.85Å; N267-E299 HydrophobicContact CB-CB 3.85Å; N267-V300 HydrophobicContact CB-CG2 3.96Å; N267-V300 WeakPolarHBondContact O-CA 3.32Å
268	L	92.4	Very high	92.3	Very high	21 Å²	21	33.5 Å²	33.5	11%	0.11	16%	0.157	C	C	.	.	I	π-helix	trans	-91.8	-55.5	-176.1	174.2	70.9	0	0	0	113.3	K264 R272 E299 K302	K264-L268 HydrophobicContact CD-CD2 4.36Å; K264-L268 VanDerWaalsContact O-CB 3.32Å; K264-L268 WeakPolarHBondContact O-CB 3.32Å; L268-R272 WeakPolarHBondContact O-CB 3.16Å; L268-R272 PolarHBondContact O-N 2.85Å; L268-E299 HydrophobicContact CB-CB 4.16Å; L268-E299 WeakPolarHBondContact CD1-O 3.21Å; L268-K302 HydrophobicContact CD1-CB 3.86Å
269	Y	92.7	Very high	92.5	Very high	94 Å²	94	31.3 Å²	31.3	37%	0.369	15%	0.146	S	C	.	.	I	π-helix	trans	-74.2	-44.5	-173.8	-62	-53.6	0	0	0	112.3	K264 F265 R272 E273	K264-Y269 HydrophobicContact CB-CE2 4.37Å; K264-Y269 WeakPolarHBondContact O-CD2 3.2Å; K264-Y269 PolarHBondContact O-N 3.46Å; K264-Y269 VanDerWaalsContact O-N 3.15Å; F265-Y269 HydrophobicContact CB-CD2 4.32Å; F265-Y269 AromaticContact CD1-CD2 3.68Å; F265-Y269 HydrophobicContact CD1-CD2 3.68Å; F265-Y269 HydrophobicContact CD1-CE2 4.25Å; F265-Y269 HydrophobicContact CD2-CD2 4.26Å; F265-Y269 HydrophobicContact CD2-CE2 4.33Å; F265-Y269 AromaticContact CE1-CD2 3.99Å; F265-Y269 HydrophobicContact CE1-CD2 3.99Å; F265-Y269 HydrophobicContact CE1-CE2 4.17Å; F265-Y269 HydrophobicContact CE2-CE2 4.27Å; F265-Y269 AromaticContact CG-CD2 3.84Å; F265-Y269 HydrophobicContact CG-CD2 3.84Å; F265-Y269 HydrophobicContact CG-CE2 4.35Å; F265-Y269 HydrophobicContact CZ-CD2 4.43Å; F265-Y269 HydrophobicContact CZ-CE2 4.2Å; F265-Y269 WeakPolarHBondContact O-CB 3.44Å; F265-Y269 PolarHBondContact O-N 3.21Å; Y269-R272 VanDerWaalsContact CD1-NH2 3.27Å; Y269-R272 VanDerWaalsContact CE1-NH2 3.26Å; Y269-R272 WeakPolarHBondContact O-CB 3.3Å; Y269-R272 PolarHBondContact O-N 3.29Å; Y269-E273 PolarHBondContact O-N 3.35Å
270	C	90.9	Very high	92.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.162	C	C	.	.	I	π-helix	trans	-64.9	-45.1	177.3	155.1	0	0	0	0	112.2	F265 D266 R272 E273 S274 V428 V432	F265-C270 PolarHBondContact O-N 2.94Å; D266-C270 VanDerWaalsContact O-CB 3.26Å; D266-C270 WeakPolarHBondContact O-CB 3.39Å; C270-R272 PolarHBondContact O-N 2.98Å; C270-E273 PolarHBondContact O-N 2.82Å; C270-E273 VanDerWaalsContact O-N 3.14Å; C270-S274 WeakPolarHBondContact O-CB 3.32Å; C270-S274 PolarHBondContact O-N 2.81Å; C270-S274 PolarHBondContact O-OG 2.77Å; C270-V428 HydrophobicContact CB-CG1 4.31Å; C270-V432 HydrophobicContact CB-CB 4.4Å; C270-V432 HydrophobicContact CB-CG1 3.9Å; C270-V432 HydrophobicContact CB-CG2 4.23Å
271	C	92.7	Very high	92.7	Very high	7 Å²	7	40.5 Å²	40.5	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-64.3	-27.2	179.1	-66.6	0	0	0	0	112.9	N267 S274 I275 V300 M375	N267-C271 WeakPolarHBondContact O-CB 3.47Å; N267-C271 PolarHBondContact O-SG 2.85Å; C271-S274 WeakPolarHBondContact CA-OG 3.35Å; C271-I275 WeakPolarHBondContact O-CB 3.29Å; C271-I275 WeakPolarHBondContact O-CG2 3.25Å; C271-I275 PolarHBondContact O-N 2.96Å; C271-V300 HydrophobicContact CB-CG1 4.15Å; C271-M375 HydrophobicContact CB-CE 3.9Å
272	R	95.8	Very high	92.9	Very high	89 Å²	89	40.6 Å²	40.6	34%	0.336	18%	0.18	S	C	.	.	H	α-helix	trans	-65.6	-38.1	174.4	-173.3	-169.6	-50.3	-171.8	0.4	112.5	L268 Y269 C270 A307	L268-R272 WeakPolarHBondContact O-CB 3.16Å; L268-R272 PolarHBondContact O-N 2.85Å; Y269-R272 VanDerWaalsContact CD1-NH2 3.27Å; Y269-R272 VanDerWaalsContact CE1-NH2 3.26Å; Y269-R272 WeakPolarHBondContact O-CB 3.3Å; Y269-R272 PolarHBondContact O-N 3.29Å; C270-R272 PolarHBondContact O-N 2.98Å; R272-A307 HydrophobicContact CB-CB 4.48Å; R272-A307 HydrophobicContact CG-CB 3.79Å; R272-A307 WeakPolarHBondContact O-CB 3.39Å
273	E	94.2	Very high	93.2	Very high	119 Å²	119	41.8 Å²	41.8	56%	0.556	19%	0.188	S	C	*	.	H	α-helix	trans	-83	-50.5	177.9	-66.4	-175.7	-166.6	0	0	111.3	Y269 C270 I275 L276 D277 P429	Y269-E273 PolarHBondContact O-N 3.35Å; C270-E273 PolarHBondContact O-N 2.82Å; C270-E273 VanDerWaalsContact O-N 3.14Å; E273-I275 VanDerWaalsContact C-N 3.34Å; E273-I275 PolarHBondContact O-N 2.94Å; E273-L276 PolarHBondContact O-N 3.26Å; E273-L276 VanDerWaalsContact O-N 3.14Å; E273-D277 PolarHBondContact O-N 2.67Å; E273-P429 VanDerWaalsContact OE2-CG 3.32Å; E273-P429 WeakPolarHBondContact OE2-CG 3.36Å
274	S	93.9	Very high	93.7	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.014	21%	0.205	C	C	.	.	H	α-helix	trans	-69.3	-25.6	-169.9	58.5	0	0	0	0	114.3	C270 C271 L276 D277 G278 N422	C270-S274 WeakPolarHBondContact O-CB 3.32Å; C270-S274 PolarHBondContact O-N 2.81Å; C270-S274 PolarHBondContact O-OG 2.77Å; C271-S274 WeakPolarHBondContact CA-OG 3.35Å; S274-L276 VanDerWaalsContact C-N 3.31Å; S274-L276 PolarHBondContact O-N 3.44Å; S274-D277 PolarHBondContact O-N 2.66Å; S274-G278 PolarHBondContact O-N 2.89Å; S274-N422 WeakPolarHBondContact OG-CB 3.29Å
275	I	97.6	Very high	94	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-40.5	172.9	-173.4	49.2	0	0	0	111.5	C271 E273 L279 C304 A307 L308 I349 M375 L421	C271-I275 WeakPolarHBondContact O-CB 3.29Å; C271-I275 WeakPolarHBondContact O-CG2 3.25Å; C271-I275 PolarHBondContact O-N 2.96Å; E273-I275 VanDerWaalsContact C-N 3.34Å; E273-I275 PolarHBondContact O-N 2.94Å; I275-L279 HydrophobicContact CD1-CD1 3.86Å; I275-L279 HydrophobicContact CD1-CG 4.05Å; I275-L279 HydrophobicContact CG1-CD1 4.05Å; I275-L279 WeakPolarHBondContact O-CB 3.42Å; I275-L279 WeakPolarHBondContact O-CD1 3.33Å; I275-L279 VanDerWaalsContact O-CG 3.23Å; I275-L279 WeakPolarHBondContact O-CG 3.33Å; I275-L279 PolarHBondContact O-N 2.93Å; I275-L279 VanDerWaalsContact O-N 3.14Å; I275-C304 HydrophobicContact CG1-CB 4.48Å; I275-A307 HydrophobicContact CG2-CB 3.91Å; I275-L308 HydrophobicContact CG1-CD1 4.42Å; I275-I349 HydrophobicContact CD1-CD1 3.89Å; I275-I349 HydrophobicContact CD1-CG2 4.28Å; I275-I349 HydrophobicContact CG1-CD1 4.04Å; I275-M375 HydrophobicContact CB-CE 4.26Å; I275-M375 HydrophobicContact CB-SD 4.49Å; I275-M375 HydrophobicContact CD1-CG 3.73Å; I275-M375 HydrophobicContact CD1-SD 3.98Å; I275-L421 HydrophobicContact CD1-CD2 3.92Å
276	L	97.6	Very high	94.5	Very high	34 Å²	34	47.1 Å²	47.1	18%	0.178	22%	0.22	C	C	.	.	H	α-helix	trans	-71.2	-44.6	-179.4	-59.5	-179.2	0	0	0	110	E273 S274 K280 F287 A307 L308 M311	E273-L276 PolarHBondContact O-N 3.26Å; E273-L276 VanDerWaalsContact O-N 3.14Å; S274-L276 VanDerWaalsContact C-N 3.31Å; S274-L276 PolarHBondContact O-N 3.44Å; L276-K280 VanDerWaalsContact O-CB 3.3Å; L276-K280 WeakPolarHBondContact O-CB 3.37Å; L276-K280 WeakPolarHBondContact O-CG 3.17Å; L276-K280 PolarHBondContact O-N 2.89Å; L276-F287 HydrophobicContact CB-CE2 4.26Å; L276-F287 HydrophobicContact CB-CZ 3.93Å; L276-F287 HydrophobicContact CD2-CD1 4.33Å; L276-F287 HydrophobicContact CD2-CD2 4.4Å; L276-F287 HydrophobicContact CD2-CE1 3.91Å; L276-F287 HydrophobicContact CD2-CE2 3.97Å; L276-F287 HydrophobicContact CD2-CZ 3.7Å; L276-F287 HydrophobicContact CG-CZ 4.4Å; L276-A307 HydrophobicContact CD1-CB 4.05Å; L276-A307 HydrophobicContact CD2-CB 4.18Å; L276-A307 HydrophobicContact CG-CB 4Å; L276-L308 HydrophobicContact CD2-CD2 3.9Å; L276-L308 HydrophobicContact CD2-CG 4.34Å; L276-M311 HydrophobicContact CD1-CG 3.71Å; L276-M311 HydrophobicContact CD1-SD 4.45Å; L276-M311 HydrophobicContact CD2-CG 4Å
277	D	95.9	Very high	95.1	Very high	49 Å²	49	46.4 Å²	46.4	26%	0.262	22%	0.215	S	C	.	.	H	α-helix	trans	-63.9	-46.7	178.8	-176.9	46.4	0	0	0	111.8	E273 S274 L279 K280 R281 S426	E273-D277 PolarHBondContact O-N 2.67Å; S274-D277 PolarHBondContact O-N 2.66Å; D277-L279 PolarHBondContact O-N 2.88Å; D277-K280 PolarHBondContact O-N 3.22Å; D277-K280 VanDerWaalsContact O-N 3.17Å; D277-R281 VanDerWaalsContact CG-NE 3.32Å; D277-R281 WeakPolarHBondContact O-CB 3.46Å; D277-R281 WeakPolarHBondContact O-CG 3.37Å; D277-R281 PolarHBondContact O-N 2.84Å; D277-R281 WeakPolarHBondContact OD1-CD 3.26Å; D277-R281 IonicContact OD1-CZ 3.66Å; D277-R281 IonicContact OD1-NE 3.39Å; D277-R281 PolarHBondContact OD1-NE 3.03Å; D277-R281 IonicContact OD1-NH2 2.87Å; D277-R281 IonicContact OD2-CZ 3.78Å; D277-R281 IonicContact OD2-NE 3.61Å; D277-R281 PolarHBondContact OD2-NE 3.27Å; D277-R281 IonicContact OD2-NH2 2.66Å; D277-S426 WeakPolarHBondContact CB-OG 3.33Å; D277-S426 WeakPolarHBondContact OD2-CA 3.38Å; D277-S426 VanDerWaalsContact OD2-CB 3.31Å; D277-S426 WeakPolarHBondContact OD2-CB 3.43Å; D277-S426 PolarHBondContact OD2-OG 3.04Å
278	G	95.3	Very high	95.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-45.3	177.7	0	0	0	0	0	112.9	S274 T282	S274-G278 PolarHBondContact O-N 2.89Å; G278-T282 WeakPolarHBondContact O-CB 3.31Å; G278-T282 WeakPolarHBondContact O-CG2 3.37Å; G278-T282 PolarHBondContact O-N 3.39Å; G278-T282 PolarHBondContact O-OG1 3.05Å
279	L	97.9	Very high	95.9	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66	-38.4	175.1	-71.4	172.7	0	0	0	112	I275 D277 T282 T283 M285 F287 L308 I347 I371 L415 L421	I275-L279 HydrophobicContact CD1-CD1 3.86Å; I275-L279 HydrophobicContact CD1-CG 4.05Å; I275-L279 HydrophobicContact CG1-CD1 4.05Å; I275-L279 WeakPolarHBondContact O-CB 3.42Å; I275-L279 WeakPolarHBondContact O-CD1 3.33Å; I275-L279 VanDerWaalsContact O-CG 3.23Å; I275-L279 WeakPolarHBondContact O-CG 3.33Å; I275-L279 PolarHBondContact O-N 2.93Å; I275-L279 VanDerWaalsContact O-N 3.14Å; D277-L279 PolarHBondContact O-N 2.88Å; L279-T282 PolarHBondContact O-OG1 2.71Å; L279-T283 PolarHBondContact O-N 3Å; L279-T283 PolarHBondContact O-OG1 3.38Å; L279-T283 VanDerWaalsContact O-OG1 3.06Å; L279-M285 HydrophobicContact CB-CE 4.04Å; L279-M285 HydrophobicContact CB-SD 4.3Å; L279-M285 HydrophobicContact CD2-CE 3.81Å; L279-M285 HydrophobicContact CG-CE 4.34Å; L279-F287 HydrophobicContact CB-CE1 4.03Å; L279-F287 HydrophobicContact CB-CZ 4.47Å; L279-F287 HydrophobicContact CD1-CE1 4.09Å; L279-L308 HydrophobicContact CD1-CD2 4.15Å; L279-I347 HydrophobicContact CD1-CD1 4.48Å; L279-I347 HydrophobicContact CD2-CG2 4.41Å; L279-I371 HydrophobicContact CD2-CG2 4.18Å; L279-L415 HydrophobicContact CD2-CD1 3.81Å; L279-L421 HydrophobicContact CD2-CD2 4.12Å; L279-L421 HydrophobicContact CG-CD2 4.14Å
280	K	97.4	Very high	96.2	Very high	85 Å²	85	46.2 Å²	46.2	37%	0.37	24%	0.237	S	C	.	.	H	α-helix	trans	-64.9	-52.3	176.5	-83.4	-67.3	-169.1	175	0	112.1	L276 D277 T282 T283 D284 M285 F287	L276-K280 VanDerWaalsContact O-CB 3.3Å; L276-K280 WeakPolarHBondContact O-CB 3.37Å; L276-K280 WeakPolarHBondContact O-CG 3.17Å; L276-K280 PolarHBondContact O-N 2.89Å; D277-K280 PolarHBondContact O-N 3.22Å; D277-K280 VanDerWaalsContact O-N 3.17Å; K280-T282 PolarHBondContact O-N 3.15Å; K280-T283 PolarHBondContact O-N 3.03Å; K280-D284 VanDerWaalsContact O-CA 3.28Å; K280-D284 WeakPolarHBondContact O-CA 3.48Å; K280-D284 PolarHBondContact O-N 3.03Å; K280-M285 WeakPolarHBondContact CE-O 3.38Å; K280-M285 PolarHBondContact NZ-O 3.24Å; K280-F287 HydrophobicContact CD-CE2 4.23Å; K280-F287 HydrophobicContact CD-CZ 4.29Å; K280-F287 HydrophobicContact CG-CE2 3.91Å; K280-F287 HydrophobicContact CG-CZ 3.73Å
281	R	93.1	Very high	96.6	Very high	140 Å²	140	48.5 Å²	48.5	53%	0.528	25%	0.247	S	C	.	.	H	α-helix	trans	-61.4	-33.3	-178.4	-75.3	172.3	179.8	-108.2	10.1	113.1	D277 R398 C425	D277-R281 VanDerWaalsContact CG-NE 3.32Å; D277-R281 WeakPolarHBondContact O-CB 3.46Å; D277-R281 WeakPolarHBondContact O-CG 3.37Å; D277-R281 PolarHBondContact O-N 2.84Å; D277-R281 WeakPolarHBondContact OD1-CD 3.26Å; D277-R281 IonicContact OD1-CZ 3.66Å; D277-R281 IonicContact OD1-NE 3.39Å; D277-R281 PolarHBondContact OD1-NE 3.03Å; D277-R281 IonicContact OD1-NH2 2.87Å; D277-R281 IonicContact OD2-CZ 3.78Å; D277-R281 IonicContact OD2-NE 3.61Å; D277-R281 PolarHBondContact OD2-NE 3.27Å; D277-R281 IonicContact OD2-NH2 2.66Å; R281-R398 PolarHBondContact O-NH1 3.29Å; R281-C425 WeakPolarHBondContact CD-O 3.22Å
282	T	95.1	Very high	96.9	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.043	25%	0.245	C	C	.	.	H	α-helix	trans	-83.9	-40.6	-177.7	49.7	0	0	0	0	112.6	G278 L279 K280 R398 V401 L415 L421 C425	G278-T282 WeakPolarHBondContact O-CB 3.31Å; G278-T282 WeakPolarHBondContact O-CG2 3.37Å; G278-T282 PolarHBondContact O-N 3.39Å; G278-T282 PolarHBondContact O-OG1 3.05Å; L279-T282 PolarHBondContact O-OG1 2.71Å; K280-T282 PolarHBondContact O-N 3.15Å; T282-R398 WeakPolarHBondContact O-CD 3.06Å; T282-R398 PolarHBondContact O-NH1 2.77Å; T282-V401 HydrophobicContact CG2-CG2 3.76Å; T282-L415 HydrophobicContact CG2-CD1 4.49Å; T282-L415 HydrophobicContact CG2-CD2 4.36Å; T282-L415 WeakPolarHBondContact OG1-CD1 3.46Å; T282-L421 HydrophobicContact CG2-CD1 4.24Å; T282-C425 HydrophobicContact CG2-CB 3.68Å; T282-C425 VanDerWaalsContact CG2-SG 3.54Å
283	T	96.7	Very high	97	Very high	34 Å²	34	43.9 Å²	43.9	21%	0.209	23%	0.229	C	C	.	.	H	α-helix	trans	-128.2	-1.3	-168.1	81.3	0	0	0	0	115.1	L279 K280 M285 I371 L415	L279-T283 PolarHBondContact O-N 3Å; L279-T283 PolarHBondContact O-OG1 3.38Å; L279-T283 VanDerWaalsContact O-OG1 3.06Å; K280-T283 PolarHBondContact O-N 3.03Å; T283-M285 HydrophobicContact CG2-CE 4.34Å; T283-M285 PolarHBondContact O-N 3.45Å; T283-M285 WeakPolarHBondContact OG1-CB 3.43Å; T283-M285 WeakPolarHBondContact OG1-CE 3.33Å; T283-M285 WeakPolarHBondContact OG1-CG 3.02Å; T283-I371 HydrophobicContact CG2-CD1 3.98Å; T283-L415 HydrophobicContact CG2-CD1 4.42Å; T283-L415 HydrophobicContact CG2-CD2 4Å
284	D	97.1	Very high	97.3	Very high	111 Å²	111	38.2 Å²	38.2	59%	0.594	20%	0.203	S	C	*	.			trans	54.1	21	179.7	-58.5	-61.4	0	0	0	113.8	K280 R398	K280-D284 VanDerWaalsContact O-CA 3.28Å; K280-D284 WeakPolarHBondContact O-CA 3.48Å; K280-D284 PolarHBondContact O-N 3.03Å; D284-R398 IonicContact OD2-CZ 3.8Å; D284-R398 IonicContact OD2-NH1 3.76Å; D284-R398 PolarHBondContact OD2-NH1 3.3Å; D284-R398 IonicContact OD2-NH2 3.57Å
285	M	97.3	Very high	97.5	Very high	15 Å²	15	38.1 Å²	38.1	7%	0.074	20%	0.202	C	C	.	.			trans	-69.8	154.9	-165.6	65.5	167	76.2	0	0	113.6	L279 K280 T283 F287 I347 I371	L279-M285 HydrophobicContact CB-CE 4.04Å; L279-M285 HydrophobicContact CB-SD 4.3Å; L279-M285 HydrophobicContact CD2-CE 3.81Å; L279-M285 HydrophobicContact CG-CE 4.34Å; K280-M285 WeakPolarHBondContact CE-O 3.38Å; K280-M285 PolarHBondContact NZ-O 3.24Å; T283-M285 HydrophobicContact CG2-CE 4.34Å; T283-M285 PolarHBondContact O-N 3.45Å; T283-M285 WeakPolarHBondContact OG1-CB 3.43Å; T283-M285 WeakPolarHBondContact OG1-CE 3.33Å; T283-M285 WeakPolarHBondContact OG1-CG 3.02Å; M285-F287 HydrophobicContact CG-CD1 4.26Å; M285-F287 HydrophobicContact CG-CE1 4.08Å; M285-F287 HydrophobicContact SD-CD1 3.92Å; M285-F287 HydrophobicContact SD-CE1 3.92Å; M285-I347 HydrophobicContact CE-CD1 3.81Å; M285-I347 HydrophobicContact CE-CG1 4.42Å; M285-I347 HydrophobicContact SD-CD1 3.46Å; M285-I347 WeakPolarHBondContact SD-CD1 3.41Å; M285-I371 HydrophobicContact CE-CD1 3.17Å; M285-I371 HydrophobicContact CE-CG1 4.44Å; M285-I371 HydrophobicContact CE-CG2 4.42Å
286	M	98.1	Very high	97.5	Very high	134 Å²	134	38.4 Å²	38.4	66%	0.66	20%	0.204	S	C	*	.			trans	-85.7	131	158.1	178.4	178.4	176.9	0	0	110.3	K290	M286-K290 WeakPolarHBondContact O-CG 3.4Å; M286-K290 PolarHBondContact O-NZ 2.96Å
287	F	98.6	Very high	97.6	Very high	9 Å²	9	37 Å²	37	4%	0.039	20%	0.197	C	C	.	.			trans	-77.4	-40.1	178.2	-59.2	-62.8	0	0	0	113.5	L276 L279 K280 M285 G289 K290 L308 M311 S313	L276-F287 HydrophobicContact CB-CE2 4.26Å; L276-F287 HydrophobicContact CB-CZ 3.93Å; L276-F287 HydrophobicContact CD2-CD1 4.33Å; L276-F287 HydrophobicContact CD2-CD2 4.4Å; L276-F287 HydrophobicContact CD2-CE1 3.91Å; L276-F287 HydrophobicContact CD2-CE2 3.97Å; L276-F287 HydrophobicContact CD2-CZ 3.7Å; L276-F287 HydrophobicContact CG-CZ 4.4Å; L279-F287 HydrophobicContact CB-CE1 4.03Å; L279-F287 HydrophobicContact CB-CZ 4.47Å; L279-F287 HydrophobicContact CD1-CE1 4.09Å; K280-F287 HydrophobicContact CD-CE2 4.23Å; K280-F287 HydrophobicContact CD-CZ 4.29Å; K280-F287 HydrophobicContact CG-CE2 3.91Å; K280-F287 HydrophobicContact CG-CZ 3.73Å; M285-F287 HydrophobicContact CG-CD1 4.26Å; M285-F287 HydrophobicContact CG-CE1 4.08Å; M285-F287 HydrophobicContact SD-CD1 3.92Å; M285-F287 HydrophobicContact SD-CE1 3.92Å; F287-G289 PolarHBondContact O-N 3.28Å; F287-K290 VanDerWaalsContact O-CB 3.31Å; F287-K290 WeakPolarHBondContact O-CB 3.41Å; F287-K290 WeakPolarHBondContact O-CG 3.25Å; F287-K290 PolarHBondContact O-N 3.24Å; F287-L308 HydrophobicContact CD1-CD2 4.12Å; F287-L308 HydrophobicContact CE1-CD2 4.36Å; F287-M311 HydrophobicContact CB-CB 3.65Å; F287-M311 HydrophobicContact CD2-CB 3.84Å; F287-M311 HydrophobicContact CD2-CE 3.77Å; F287-M311 HydrophobicContact CD2-CG 4Å; F287-M311 HydrophobicContact CE2-CE 4.29Å; F287-M311 HydrophobicContact CG-CB 3.94Å; F287-S313 PolarHBondContact O-OG 3.3Å
288	G	98.5	Very high	97.5	Very high	27 Å²	27	36.1 Å²	36.1	28%	0.278	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	126.8	-176.4	0	0	0	0	0	112.8	K290 M311	G288-K290 VanDerWaalsContact C-N 3.3Å; G288-K290 PolarHBondContact O-N 3.49Å; G288-M311 PolarHBondContact N-O 3.24Å
289	G	98.1	Very high	97.4	Very high	52 Å²	52	38.1 Å²	38.1	54%	0.536	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	-3.7	179	0	0	0	0	0	115.8	F287 G312	F287-G289 PolarHBondContact O-N 3.28Å; G289-G312 PolarHBondContact N-O 3.31Å
290	K	98.8	Very high	97.1	Very high	56 Å²	56	39.4 Å²	39.4	24%	0.243	22%	0.217	C	C	.	.			trans	-70.2	137.3	176.3	-66.6	-68.2	-176	-57.5	0	111.1	M286 F287 G288 V292 S313 I314 D346 I347	M286-K290 WeakPolarHBondContact O-CG 3.4Å; M286-K290 PolarHBondContact O-NZ 2.96Å; F287-K290 VanDerWaalsContact O-CB 3.31Å; F287-K290 WeakPolarHBondContact O-CB 3.41Å; F287-K290 WeakPolarHBondContact O-CG 3.25Å; F287-K290 PolarHBondContact O-N 3.24Å; G288-K290 VanDerWaalsContact C-N 3.3Å; G288-K290 PolarHBondContact O-N 3.49Å; K290-V292 HydrophobicContact CB-CG2 4.28Å; K290-S313 CarbonylContact O-C 3.57Å; K290-S313 WeakPolarHBondContact O-CA 3.21Å; K290-I314 PolarHBondContact O-N 2.89Å; K290-D346 HydrophobicContact CB-CB 4.32Å; K290-D346 HydrophobicContact CD-CB 3.63Å; K290-I347 HydrophobicContact CB-CD1 4.35Å
291	Q	98.9	Very high	97.1	Very high	48 Å²	48	35.4 Å²	35.4	22%	0.224	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	116.7	169.2	-71.7	178.4	80.1	0	0	109.2	I314 Y316 V345 D346 I347	Q291-I314 WeakPolarHBondContact CA-O 3.48Å; Q291-I314 HydrophobicContact CG-CB 4.41Å; Q291-Y316 HydrophobicContact CB-CE2 4.15Å; Q291-Y316 HydrophobicContact CG-CE2 4.31Å; Q291-Y316 PolarHBondContact OE1-OH 3.26Å; Q291-V345 HydrophobicContact CB-CG1 4.47Å; Q291-D346 PolarHBondContact N-OD2 3.12Å; Q291-D346 PolarHBondContact O-N 2.88Å; Q291-I347 PolarHBondContact O-N 3.37Å
292	V	98.9	Very high	97.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136	-176	-173.2	0	0	0	0	109.4	K290 V294 L308 I314 V315 Y316 I347 I349	K290-V292 HydrophobicContact CB-CG2 4.28Å; V292-V294 HydrophobicContact CG1-CG2 4.22Å; V292-L308 HydrophobicContact CG1-CD1 3.93Å; V292-I314 PolarHBondContact N-O 3.25Å; V292-V315 CarbonylContact O-C 3.53Å; V292-V315 WeakPolarHBondContact O-CA 3.46Å; V292-Y316 WeakPolarHBondContact O-CD2 3.18Å; V292-Y316 PolarHBondContact O-N 2.87Å; V292-I347 WeakPolarHBondContact CA-O 3.38Å; V292-I347 HydrophobicContact CB-CB 4.33Å; V292-I347 HydrophobicContact CG1-CB 3.92Å; V292-I347 HydrophobicContact CG1-CG2 4.21Å; V292-I347 HydrophobicContact CG2-CB 3.98Å; V292-I347 HydrophobicContact CG2-CD1 3.85Å; V292-I347 HydrophobicContact CG2-CG1 4.14Å; V292-I349 HydrophobicContact CG1-CD1 3.74Å; V292-I349 HydrophobicContact CG1-CG1 4.14Å
293	V	98.9	Very high	97.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.9	166.5	59.1	0	0	0	0	109.9	Y316 T318 L338 V341 V345 I347 V348 I349	V293-Y316 WeakPolarHBondContact CA-O 3.31Å; V293-T318 HydrophobicContact CG2-CG2 3.84Å; V293-L338 HydrophobicContact CB-CD1 4.46Å; V293-L338 HydrophobicContact CG1-CD1 3.81Å; V293-L338 HydrophobicContact CG2-CD1 3.86Å; V293-V341 HydrophobicContact CB-CG2 4.1Å; V293-V341 HydrophobicContact CG2-CG2 4.05Å; V293-V345 HydrophobicContact CB-CG1 4.06Å; V293-V345 HydrophobicContact CG1-CB 4.25Å; V293-V345 HydrophobicContact CG1-CG1 3.98Å; V293-V345 HydrophobicContact CG1-CG2 3.96Å; V293-I347 PolarHBondContact N-O 3.4Å; V293-V348 HydrophobicContact CG1-CB 4.12Å; V293-V348 HydrophobicContact CG1-CG1 4.11Å; V293-V348 HydrophobicContact CG1-CG2 3.63Å; V293-I349 PolarHBondContact O-N 2.77Å
294	V	98.9	Very high	97.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.9	174.9	-177.9	0	0	0	0	108.5	V292 C305 L308 V315 Y316 V317 T318 I349 C351	V292-V294 HydrophobicContact CG1-CG2 4.22Å; V294-C305 VanDerWaalsContact CB-SG 3.6Å; V294-L308 HydrophobicContact CG2-CD1 4.46Å; V294-V315 HydrophobicContact CG2-CG1 4.02Å; V294-Y316 PolarHBondContact N-O 3.29Å; V294-V317 WeakPolarHBondContact O-CA 3.44Å; V294-T318 PolarHBondContact O-N 3.13Å; V294-I349 WeakPolarHBondContact CA-O 3.16Å; V294-I349 HydrophobicContact CG2-CB 4.38Å; V294-I349 HydrophobicContact CG2-CD1 4.26Å; V294-C351 HydrophobicContact CG1-CB 4.45Å
295	C	98.8	Very high	97.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	114.5	179.8	-48.8	0	0	0	0	109.7	T318 I349 C351 T352 V357	C295-T318 WeakPolarHBondContact CA-OG1 3.43Å; C295-I349 PolarHBondContact N-O 2.89Å; C295-C351 CarbonylContact O-C 3.57Å; C295-C351 WeakPolarHBondContact O-CA 3.42Å; C295-C351 WeakPolarHBondContact O-CB 3.34Å; C295-C351 PolarHBondContact O-N 3.42Å; C295-T352 HydrophobicContact CB-CG2 3.99Å; C295-T352 WeakPolarHBondContact O-CG2 3.4Å; C295-V357 HydrophobicContact CB-CG1 3.6Å
296	G	98.3	Very high	97.7	Very high	5 Å²	5	24.2 Å²	24.2	5%	0.052	15%	0.153	C	C	.	.			trans	96.7	136.3	-173.9	0	0	0	0	0	112.2	G301 T318	G296-G301 WeakPolarHBondContact O-CA 3.23Å; G296-T318 PolarHBondContact N-O 3.2Å
297	Y	98.4	Very high	97.7	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.016	12%	0.124	C	C	.	.			trans	-129.9	33.6	-177.1	-154.5	-108.4	0	0	0	112.6	K302 C305 V317 E319 C324 Q327 A328 D331 F333	Y297-K302 HydrophobicContact CD1-CG 3.87Å; Y297-K302 HydrophobicContact CD2-CG 4.37Å; Y297-K302 HydrophobicContact CE1-CD 4.29Å; Y297-K302 HydrophobicContact CE1-CG 3.56Å; Y297-K302 HydrophobicContact CE2-CG 4.1Å; Y297-K302 HydrophobicContact CG-CG 4.26Å; Y297-K302 PolarHBondContact O-NZ 3.45Å; Y297-C305 HydrophobicContact CE2-CB 3.8Å; Y297-V317 HydrophobicContact CD2-CG1 3.78Å; Y297-V317 HydrophobicContact CD2-CG2 3.88Å; Y297-V317 HydrophobicContact CE2-CG2 4.09Å; Y297-V317 HydrophobicContact CG-CG1 4Å; Y297-E319 PolarHBondContact N-OE1 3.39Å; Y297-C324 WeakPolarHBondContact CD1-O 3.5Å; Y297-Q327 HydrophobicContact CD1-CB 4.4Å; Y297-Q327 HydrophobicContact CE1-CB 4.22Å; Y297-A328 HydrophobicContact CD1-CB 3.58Å; Y297-A328 HydrophobicContact CD2-CB 4.09Å; Y297-A328 HydrophobicContact CE1-CB 3.68Å; Y297-A328 HydrophobicContact CE2-CB 4.18Å; Y297-A328 HydrophobicContact CG-CB 3.8Å; Y297-D331 WeakPolarHBondContact CE1-OD2 3.35Å; Y297-D331 WeakPolarHBondContact OH-CB 3.46Å; Y297-D331 PolarHBondContact OH-OD2 2.75Å; Y297-F333 HydrophobicContact CE2-CD2 4.05Å; Y297-F333 HydrophobicContact CE2-CE2 4.14Å; Y297-F333 AromaticContact CZ-CD2 3.95Å; Y297-F333 WeakPolarHBondContact OH-CD2 3.24Å; Y297-F333 WeakPolarHBondContact OH-CE2 3.34Å
298	G	94.1	Very high	97.7	Very high	31 Å²	31	17.7 Å²	17.7	32%	0.32	12%	0.122	S	C	.	.	S	Bend	trans	-66.3	-167.4	158.8	0	0	0	0	0	112.1	V300 G301 K302	G298-V300 PolarHBondContact O-N 2.86Å; G298-G301 PolarHBondContact O-N 3.23Å; G298-K302 WeakPolarHBondContact O-CB 3.26Å; G298-K302 WeakPolarHBondContact O-CG 3.15Å; G298-K302 PolarHBondContact O-N 3.16Å
299	E	92.6	Very high	97.8	Very high	42 Å²	42	20.7 Å²	20.7	20%	0.196	13%	0.127	C	C	.	.	H	α-helix	trans	-60.7	-41.4	-177.1	-65.2	-63	134	0	0	113.2	K264 N267 L268 K302 G303	K264-E299 IonicContact NZ-OE1 2.77Å; K264-E299 PolarHBondContact NZ-OE1 3.11Å; K264-E299 IonicContact NZ-OE2 2.81Å; K264-E299 PolarHBondContact NZ-OE2 2.78Å; N267-E299 HydrophobicContact CB-CB 3.85Å; L268-E299 HydrophobicContact CB-CB 4.16Å; L268-E299 WeakPolarHBondContact CD1-O 3.21Å; E299-K302 PolarHBondContact O-N 3.34Å; E299-G303 PolarHBondContact O-N 3.35Å
300	V	92.7	Very high	97.8	Very high	28 Å²	28	22.3 Å²	22.3	17%	0.17	14%	0.136	C	C	.	.	H	α-helix	trans	-59.5	-50.8	174.3	176	0	0	0	0	111.2	N267 C271 G298 K302 G303 C304 C351 M375	N267-V300 HydrophobicContact CB-CG2 3.96Å; N267-V300 WeakPolarHBondContact O-CA 3.32Å; C271-V300 HydrophobicContact CB-CG1 4.15Å; G298-V300 PolarHBondContact O-N 2.86Å; V300-K302 PolarHBondContact O-N 3.36Å; V300-G303 PolarHBondContact O-N 2.94Å; V300-C304 PolarHBondContact O-N 3.14Å; V300-C304 PolarHBondContact O-SG 3.48Å; V300-C351 HydrophobicContact CB-CB 4.41Å; V300-C351 HydrophobicContact CG1-CB 3.91Å; V300-M375 HydrophobicContact CG1-CB 4.12Å
301	G	97.6	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-45.5	177.9	0	0	0	0	0	112.3	G296 G298 G303 C304 C305	G296-G301 WeakPolarHBondContact O-CA 3.23Å; G298-G301 PolarHBondContact O-N 3.23Å; G301-G303 VanDerWaalsContact C-N 3.34Å; G301-G303 PolarHBondContact O-N 3.4Å; G301-C304 PolarHBondContact O-N 3Å; G301-C305 WeakPolarHBondContact O-CB 3.11Å; G301-C305 PolarHBondContact O-N 2.99Å; G301-C305 PolarHBondContact O-SG 3.31Å
302	K	98.4	Very high	97.8	Very high	30 Å²	30	23.8 Å²	23.8	13%	0.13	16%	0.156	C	C	.	.	H	α-helix	trans	-56.9	-45.8	174.4	-76.5	179.1	175.4	81.4	0	111.7	L268 Y297 G298 E299 V300 A306	L268-K302 HydrophobicContact CD1-CB 3.86Å; Y297-K302 HydrophobicContact CD1-CG 3.87Å; Y297-K302 HydrophobicContact CD2-CG 4.37Å; Y297-K302 HydrophobicContact CE1-CD 4.29Å; Y297-K302 HydrophobicContact CE1-CG 3.56Å; Y297-K302 HydrophobicContact CE2-CG 4.1Å; Y297-K302 HydrophobicContact CG-CG 4.26Å; Y297-K302 PolarHBondContact O-NZ 3.45Å; G298-K302 WeakPolarHBondContact O-CB 3.26Å; G298-K302 WeakPolarHBondContact O-CG 3.15Å; G298-K302 PolarHBondContact O-N 3.16Å; E299-K302 PolarHBondContact O-N 3.34Å; V300-K302 PolarHBondContact O-N 3.36Å; K302-A306 VanDerWaalsContact O-CB 3.3Å; K302-A306 WeakPolarHBondContact O-CB 3.32Å; K302-A306 PolarHBondContact O-N 3.03Å
303	G	97.4	Very high	97.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.1	-49.3	177.3	0	0	0	0	0	112	E299 V300 G301 A306 A307	E299-G303 PolarHBondContact O-N 3.35Å; V300-G303 PolarHBondContact O-N 2.94Å; G301-G303 VanDerWaalsContact C-N 3.34Å; G301-G303 PolarHBondContact O-N 3.4Å; G303-A306 PolarHBondContact O-N 3.07Å; G303-A307 WeakPolarHBondContact O-CB 3.04Å; G303-A307 PolarHBondContact O-N 3.31Å
304	C	98.4	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.9	-48.7	179.1	-64.4	0	0	0	0	112.1	I275 V300 G301 A306 A307 L308	I275-C304 HydrophobicContact CG1-CB 4.48Å; V300-C304 PolarHBondContact O-N 3.14Å; V300-C304 PolarHBondContact O-SG 3.48Å; G301-C304 PolarHBondContact O-N 3Å; C304-A306 PolarHBondContact O-N 3.47Å; C304-A307 PolarHBondContact O-N 3.18Å; C304-L308 WeakPolarHBondContact O-CB 3.42Å; C304-L308 WeakPolarHBondContact O-CD1 3.21Å; C304-L308 WeakPolarHBondContact O-CG 3.35Å; C304-L308 PolarHBondContact O-N 3.38Å
305	C	98.8	Very high	97.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.1	-46.2	179.7	-71.8	0	0	0	0	112	V294 Y297 G301 K309 V315 F333	V294-C305 VanDerWaalsContact CB-SG 3.6Å; Y297-C305 HydrophobicContact CE2-CB 3.8Å; G301-C305 WeakPolarHBondContact O-CB 3.11Å; G301-C305 PolarHBondContact O-N 2.99Å; G301-C305 PolarHBondContact O-SG 3.31Å; C305-K309 WeakPolarHBondContact O-CB 3.49Å; C305-K309 PolarHBondContact O-N 3.08Å; C305-V315 HydrophobicContact CB-CG1 4.19Å; C305-F333 HydrophobicContact CB-CE1 3.84Å; C305-F333 HydrophobicContact CB-CE2 4.02Å; C305-F333 HydrophobicContact CB-CZ 3.58Å
306	A	98.7	Very high	97.8	Very high	42 Å²	42	30.2 Å²	30.2	35%	0.347	19%	0.189	S	C	.	.	H	α-helix	trans	-62.3	-44.4	178.8	0	0	0	0	0	111.9	K302 G303 C304 A310	K302-A306 VanDerWaalsContact O-CB 3.3Å; K302-A306 WeakPolarHBondContact O-CB 3.32Å; K302-A306 PolarHBondContact O-N 3.03Å; G303-A306 PolarHBondContact O-N 3.07Å; C304-A306 PolarHBondContact O-N 3.47Å; A306-A310 WeakPolarHBondContact O-CB 3.38Å; A306-A310 PolarHBondContact O-N 3.45Å
307	A	98.4	Very high	97.8	Very high	6 Å²	6	30 Å²	30	5%	0.05	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-50.1	178.6	0	0	0	0	0	112.4	R272 I275 L276 G303 C304 A310 M311	R272-A307 HydrophobicContact CB-CB 4.48Å; R272-A307 HydrophobicContact CG-CB 3.79Å; R272-A307 WeakPolarHBondContact O-CB 3.39Å; I275-A307 HydrophobicContact CG2-CB 3.91Å; L276-A307 HydrophobicContact CD1-CB 4.05Å; L276-A307 HydrophobicContact CD2-CB 4.18Å; L276-A307 HydrophobicContact CG-CB 4Å; G303-A307 WeakPolarHBondContact O-CB 3.04Å; G303-A307 PolarHBondContact O-N 3.31Å; C304-A307 PolarHBondContact O-N 3.18Å; A307-A310 PolarHBondContact O-N 3.48Å; A307-M311 WeakPolarHBondContact O-CG 3.42Å; A307-M311 PolarHBondContact O-N 3.36Å; A307-M311 VanDerWaalsContact O-N 3.13Å
308	L	98.8	Very high	97.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.9	-37.4	-176.9	-69.9	161.3	0	0	0	112.1	I275 L276 L279 F287 V292 V294 C304 M311 G312 S313 V315 I349	I275-L308 HydrophobicContact CG1-CD1 4.42Å; L276-L308 HydrophobicContact CD2-CD2 3.9Å; L276-L308 HydrophobicContact CD2-CG 4.34Å; L279-L308 HydrophobicContact CD1-CD2 4.15Å; F287-L308 HydrophobicContact CD1-CD2 4.12Å; F287-L308 HydrophobicContact CE1-CD2 4.36Å; V292-L308 HydrophobicContact CG1-CD1 3.93Å; V294-L308 HydrophobicContact CG2-CD1 4.46Å; C304-L308 WeakPolarHBondContact O-CB 3.42Å; C304-L308 WeakPolarHBondContact O-CD1 3.21Å; C304-L308 WeakPolarHBondContact O-CG 3.35Å; C304-L308 PolarHBondContact O-N 3.38Å; L308-M311 PolarHBondContact O-N 3.48Å; L308-G312 PolarHBondContact O-N 3.13Å; L308-S313 WeakPolarHBondContact O-CB 3.46Å; L308-S313 PolarHBondContact O-N 3.27Å; L308-S313 PolarHBondContact O-OG 3.1Å; L308-V315 HydrophobicContact CB-CG2 3.88Å; L308-I349 HydrophobicContact CD1-CD1 3.38Å
309	K	98.8	Very high	98	Very high	90 Å²	90	31.5 Å²	31.5	39%	0.391	19%	0.186	S	C	.	.	H	α-helix	trans	-62.5	-45	173.3	-173.9	174.5	-173.1	165.5	0	111.2	C305 M311 G312 V315 D331 G332 F333	C305-K309 WeakPolarHBondContact O-CB 3.49Å; C305-K309 PolarHBondContact O-N 3.08Å; K309-M311 PolarHBondContact O-N 2.98Å; K309-G312 PolarHBondContact O-N 3.3Å; K309-V315 HydrophobicContact CB-CG2 4.49Å; K309-D331 PolarHBondContact NZ-O 2.96Å; K309-G332 PolarHBondContact NZ-O 2.99Å; K309-G332 VanDerWaalsContact NZ-O 3.16Å; K309-F333 HydrophobicContact CB-CE1 4.04Å; K309-F333 HydrophobicContact CB-CZ 4.3Å; K309-F333 HydrophobicContact CD-CD1 4.45Å; K309-F333 HydrophobicContact CD-CE1 3.56Å; K309-F333 HydrophobicContact CD-CZ 3.62Å; K309-F333 HydrophobicContact CG-CE1 4.31Å
310	A	98.6	Very high	98.3	Very high	87 Å²	87	36.9 Å²	36.9	72%	0.719	22%	0.215	S	C	*	.	H	α-helix	trans	-61.6	-31.5	177.7	0	0	0	0	0	112.6	A306 A307 G312	A306-A310 WeakPolarHBondContact O-CB 3.38Å; A306-A310 PolarHBondContact O-N 3.45Å; A307-A310 PolarHBondContact O-N 3.48Å; A310-G312 VanDerWaalsContact C-N 3.27Å; A310-G312 PolarHBondContact O-N 3.32Å
311	M	98.6	Very high	98.5	Very high	91 Å²	91	38.7 Å²	38.7	45%	0.448	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	7.9	175.3	-63.6	-56.7	-65.5	0	0	114.3	L276 F287 G288 A307 L308 K309	L276-M311 HydrophobicContact CD1-CG 3.71Å; L276-M311 HydrophobicContact CD1-SD 4.45Å; L276-M311 HydrophobicContact CD2-CG 4Å; F287-M311 HydrophobicContact CB-CB 3.65Å; F287-M311 HydrophobicContact CD2-CB 3.84Å; F287-M311 HydrophobicContact CD2-CE 3.77Å; F287-M311 HydrophobicContact CD2-CG 4Å; F287-M311 HydrophobicContact CE2-CE 4.29Å; F287-M311 HydrophobicContact CG-CB 3.94Å; G288-M311 PolarHBondContact N-O 3.24Å; A307-M311 WeakPolarHBondContact O-CG 3.42Å; A307-M311 PolarHBondContact O-N 3.36Å; A307-M311 VanDerWaalsContact O-N 3.13Å; L308-M311 PolarHBondContact O-N 3.48Å; K309-M311 PolarHBondContact O-N 2.98Å
312	G	98.5	Very high	98.6	Very high	43 Å²	43	43.5 Å²	43.5	44%	0.443	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	87	18.3	173.9	0	0	0	0	0	115.5	G289 L308 K309 A310	G289-G312 PolarHBondContact N-O 3.31Å; L308-G312 PolarHBondContact O-N 3.13Å; K309-G312 PolarHBondContact O-N 3.3Å; A310-G312 VanDerWaalsContact C-N 3.27Å; A310-G312 PolarHBondContact O-N 3.32Å
313	S	98.8	Very high	98.6	Very high	9 Å²	9	47.7 Å²	47.7	6%	0.063	28%	0.278	C	S	.	.			trans	-81	149.3	174.2	-45.7	0	0	0	0	111.5	F287 K290 L308	F287-S313 PolarHBondContact O-OG 3.3Å; K290-S313 CarbonylContact O-C 3.57Å; K290-S313 WeakPolarHBondContact O-CA 3.21Å; L308-S313 WeakPolarHBondContact O-CB 3.46Å; L308-S313 PolarHBondContact O-N 3.27Å; L308-S313 PolarHBondContact O-OG 3.1Å
314	I	98.9	Very high	98.6	Very high	80 Å²	80	48.8 Å²	48.8	41%	0.41	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	108.1	168.5	-56.9	94.7	0	0	0	107.9	K290 Q291 V292 Y316	K290-I314 PolarHBondContact O-N 2.89Å; Q291-I314 WeakPolarHBondContact CA-O 3.48Å; Q291-I314 HydrophobicContact CG-CB 4.41Å; V292-I314 PolarHBondContact N-O 3.25Å; I314-Y316 HydrophobicContact CG2-CE2 4.36Å
315	V	98.9	Very high	98.6	Very high	11 Å²	11	49.5 Å²	49.5	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.2	-172.9	-176.1	0	0	0	0	111.6	V292 V294 C305 L308 K309 F333	V292-V315 CarbonylContact O-C 3.53Å; V292-V315 WeakPolarHBondContact O-CA 3.46Å; V294-V315 HydrophobicContact CG2-CG1 4.02Å; C305-V315 HydrophobicContact CB-CG1 4.19Å; L308-V315 HydrophobicContact CB-CG2 3.88Å; K309-V315 HydrophobicContact CB-CG2 4.49Å; V315-F333 HydrophobicContact CB-CD1 3.78Å; V315-F333 HydrophobicContact CB-CE1 3.79Å; V315-F333 HydrophobicContact CG1-CD1 3.96Å; V315-F333 HydrophobicContact CG1-CE1 4.02Å; V315-F333 HydrophobicContact CG2-CE1 4.37Å
316	Y	98.9	Very high	98.6	Very high	35 Å²	35	54.7 Å²	54.7	14%	0.137	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	146.5	167.2	-54.2	-75.7	0	0	0	109.8	Q291 V292 V293 V294 I314 R334 V336 V341 Q344 V345	Q291-Y316 HydrophobicContact CB-CE2 4.15Å; Q291-Y316 HydrophobicContact CG-CE2 4.31Å; Q291-Y316 PolarHBondContact OE1-OH 3.26Å; V292-Y316 WeakPolarHBondContact O-CD2 3.18Å; V292-Y316 PolarHBondContact O-N 2.87Å; V293-Y316 WeakPolarHBondContact CA-O 3.31Å; V294-Y316 PolarHBondContact N-O 3.29Å; I314-Y316 HydrophobicContact CG2-CE2 4.36Å; Y316-R334 HydrophobicContact CD1-CB 3.89Å; Y316-R334 HydrophobicContact CE1-CB 4.37Å; Y316-V336 HydrophobicContact CD1-CG1 4.41Å; Y316-V341 HydrophobicContact CD1-CG1 4.14Å; Y316-V341 HydrophobicContact CD2-CB 4.41Å; Y316-V341 HydrophobicContact CD2-CG1 4.28Å; Y316-V341 HydrophobicContact CE1-CG1 4.33Å; Y316-V341 HydrophobicContact CE2-CG1 4.46Å; Y316-V341 HydrophobicContact CG-CG1 4.12Å; Y316-Q344 PolarHBondContact OH-NE2 2.86Å; Y316-V345 HydrophobicContact CD2-CG1 4.06Å; Y316-V345 HydrophobicContact CE2-CG1 4.33Å
317	V	98.9	Very high	98.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	144.7	178	177.2	0	0	0	0	109.3	V294 Y297 A328 F333 R334 L335 V336	V294-V317 WeakPolarHBondContact O-CA 3.44Å; Y297-V317 HydrophobicContact CD2-CG1 3.78Å; Y297-V317 HydrophobicContact CD2-CG2 3.88Å; Y297-V317 HydrophobicContact CE2-CG2 4.09Å; Y297-V317 HydrophobicContact CG-CG1 4Å; V317-A328 HydrophobicContact CB-CB 4.22Å; V317-A328 HydrophobicContact CG1-CB 3.95Å; V317-A328 HydrophobicContact CG2-CB 4.3Å; V317-F333 HydrophobicContact CG2-CB 3.79Å; V317-F333 HydrophobicContact CG2-CD1 4.5Å; V317-F333 HydrophobicContact CG2-CG 4.07Å; V317-R334 PolarHBondContact N-O 2.87Å; V317-L335 HydrophobicContact CB-CD2 4.16Å; V317-L335 HydrophobicContact CG1-CD2 3.91Å; V317-L335 WeakPolarHBondContact O-CA 3.49Å; V317-L335 WeakPolarHBondContact O-CD2 3.49Å; V317-V336 PolarHBondContact O-N 3.15Å
318	T	98.9	Very high	98.6	Very high	20 Å²	20	56.3 Å²	56.3	12%	0.123	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.2	164.8	78.7	0	0	0	0	109.5	V293 V294 C295 G296 V336 L338	V293-T318 HydrophobicContact CG2-CG2 3.84Å; V294-T318 PolarHBondContact O-N 3.13Å; C295-T318 WeakPolarHBondContact CA-OG1 3.43Å; G296-T318 PolarHBondContact N-O 3.2Å; T318-V336 WeakPolarHBondContact CA-O 3.44Å; T318-V336 WeakPolarHBondContact CB-O 3.36Å; T318-V336 HydrophobicContact CG2-CG2 4.44Å; T318-V336 WeakPolarHBondContact CG2-O 3.38Å; T318-L338 HydrophobicContact CG2-CB 4.26Å
319	E	98.8	Very high	98.6	Very high	47 Å²	47	59 Å²	59	22%	0.22	34%	0.336	C	S	.	.			trans	-142.4	150.6	175.3	-104.8	-64.2	175.4	0	0	111.8	Y297 D321 C324 A325 L335	Y297-E319 PolarHBondContact N-OE1 3.39Å; E319-D321 PolarHBondContact OE2-N 3.16Å; E319-C324 HydrophobicContact CG-CB 3.94Å; E319-A325 HydrophobicContact CB-CB 3.91Å; E319-L335 HydrophobicContact CB-CD2 4.1Å
320	I	98.2	Very high	98.6	Very high	155 Å²	155	61.5 Å²	61.5	80%	0.795	35%	0.35	S	S	*	.	S	Bend	trans	-99.6	-27.2	169.4	61.6	168.3	0	0	0	111.6
321	D	98.1	Very high	98.6	Very high	67 Å²	67	61.2 Å²	61.2	36%	0.358	34%	0.337	S	S	.	.			trans	-84.8	118.9	177.6	-172.5	-39.2	0	0	0	110	E319 I323 C324 A325	E319-D321 PolarHBondContact OE2-N 3.16Å; D321-I323 VanDerWaalsContact C-N 3.27Å; D321-I323 PolarHBondContact O-N 3.41Å; D321-I323 WeakPolarHBondContact OD1-CA 3.31Å; D321-I323 VanDerWaalsContact OD1-CB 3.29Å; D321-I323 WeakPolarHBondContact OD1-CB 3.43Å; D321-I323 PolarHBondContact OD1-N 3.26Å; D321-C324 HydrophobicContact CB-CB 4.19Å; D321-C324 PolarHBondContact O-N 3.41Å; D321-A325 WeakPolarHBondContact O-CB 3.35Å; D321-A325 PolarHBondContact O-N 2.94Å
322	P	98	Very high	98.6	Very high	101 Å²	101	59.3 Å²	59.3	66%	0.656	34%	0.34	S	S	*	.	H	α-helix	trans	-66	-25	-178.2	27.6	-35.1	0	0	0	113.8	L326	P322-L326 VanDerWaalsContact O-CB 3.32Å; P322-L326 WeakPolarHBondContact O-CB 3.45Å; P322-L326 PolarHBondContact O-N 3Å
323	I	98.3	Very high	98.6	Very high	118 Å²	118	58 Å²	58	61%	0.605	32%	0.323	S	S	*	.	H	α-helix	trans	-69	-50	175.4	-60	175.4	0	0	0	109	D321 L326 Q327	D321-I323 VanDerWaalsContact C-N 3.27Å; D321-I323 PolarHBondContact O-N 3.41Å; D321-I323 WeakPolarHBondContact OD1-CA 3.31Å; D321-I323 VanDerWaalsContact OD1-CB 3.29Å; D321-I323 WeakPolarHBondContact OD1-CB 3.43Å; D321-I323 PolarHBondContact OD1-N 3.26Å; I323-L326 PolarHBondContact O-N 3.01Å; I323-Q327 WeakPolarHBondContact O-CG 3.43Å; I323-Q327 PolarHBondContact O-N 3.44Å
324	C	98.2	Very high	98.6	Very high	23 Å²	23	66.2 Å²	66.2	16%	0.155	35%	0.352	C	S	.	.	H	α-helix	trans	-66.4	-38.6	178.2	-62.8	0	0	0	0	111.9	Y297 E319 D321 L326 Q327 A328	Y297-C324 WeakPolarHBondContact CD1-O 3.5Å; E319-C324 HydrophobicContact CG-CB 3.94Å; D321-C324 HydrophobicContact CB-CB 4.19Å; D321-C324 PolarHBondContact O-N 3.41Å; C324-L326 PolarHBondContact O-N 3.32Å; C324-Q327 WeakPolarHBondContact O-CB 3.46Å; C324-Q327 PolarHBondContact O-N 3.17Å; C324-A328 PolarHBondContact O-N 3.48Å
325	A	98.6	Very high	98.6	Very high	15 Å²	15	65 Å²	65	12%	0.124	35%	0.347	C	S	.	.	H	α-helix	trans	-59.2	-44.6	173.4	0	0	0	0	0	112	E319 D321 Q327 A328 C329 L335	E319-A325 HydrophobicContact CB-CB 3.91Å; D321-A325 WeakPolarHBondContact O-CB 3.35Å; D321-A325 PolarHBondContact O-N 2.94Å; A325-Q327 VanDerWaalsContact C-N 3.35Å; A325-Q327 PolarHBondContact O-N 2.97Å; A325-A328 WeakPolarHBondContact O-CB 3.5Å; A325-A328 PolarHBondContact O-N 3.13Å; A325-C329 PolarHBondContact O-N 3.48Å; A325-C329 VanDerWaalsContact O-N 3.08Å; A325-C329 PolarHBondContact O-SG 2.91Å; A325-C329 VanDerWaalsContact O-SG 3.39Å; A325-L335 HydrophobicContact CB-CD1 4.5Å; A325-L335 HydrophobicContact CB-CD2 4.16Å; A325-L335 HydrophobicContact CB-CG 4.02Å
326	L	98.7	Very high	98.6	Very high	108 Å²	108	65.2 Å²	65.2	57%	0.565	35%	0.348	S	S	*	.	H	α-helix	trans	-63.9	-40.3	176.7	-177.3	60.7	0	0	0	111.5	P322 I323 C324 A328 C329 M330	P322-L326 VanDerWaalsContact O-CB 3.32Å; P322-L326 WeakPolarHBondContact O-CB 3.45Å; P322-L326 PolarHBondContact O-N 3Å; I323-L326 PolarHBondContact O-N 3.01Å; C324-L326 PolarHBondContact O-N 3.32Å; L326-A328 PolarHBondContact O-N 3.33Å; L326-C329 WeakPolarHBondContact O-CB 3.49Å; L326-C329 PolarHBondContact O-N 3.2Å; L326-M330 HydrophobicContact CD1-CE 4.15Å; L326-M330 VanDerWaalsContact O-CG 3.32Å; L326-M330 WeakPolarHBondContact O-CG 3.44Å; L326-M330 PolarHBondContact O-N 2.92Å
327	Q	98.6	Very high	98.6	Very high	83 Å²	83	71.1 Å²	71.1	39%	0.388	37%	0.374	S	S	.	.	H	α-helix	trans	-59.1	-45.6	173.1	-68.5	-179.8	-54.4	0	0	111.7	Y297 I323 C324 A325 C329 M330 D331	Y297-Q327 HydrophobicContact CD1-CB 4.4Å; Y297-Q327 HydrophobicContact CE1-CB 4.22Å; I323-Q327 WeakPolarHBondContact O-CG 3.43Å; I323-Q327 PolarHBondContact O-N 3.44Å; C324-Q327 WeakPolarHBondContact O-CB 3.46Å; C324-Q327 PolarHBondContact O-N 3.17Å; A325-Q327 VanDerWaalsContact C-N 3.35Å; A325-Q327 PolarHBondContact O-N 2.97Å; Q327-C329 VanDerWaalsContact C-N 3.3Å; Q327-C329 PolarHBondContact O-N 3.39Å; Q327-M330 PolarHBondContact O-N 2.97Å; Q327-M330 VanDerWaalsContact O-N 3.09Å; Q327-D331 VanDerWaalsContact O-CG 3.28Å; Q327-D331 PolarHBondContact O-N 2.85Å
328	A	98.8	Very high	98.6	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-58.5	-42.6	177.3	0	0	0	0	0	112.1	Y297 V317 C324 A325 L326 D331 G332 F333	Y297-A328 HydrophobicContact CD1-CB 3.58Å; Y297-A328 HydrophobicContact CD2-CB 4.09Å; Y297-A328 HydrophobicContact CE1-CB 3.68Å; Y297-A328 HydrophobicContact CE2-CB 4.18Å; Y297-A328 HydrophobicContact CG-CB 3.8Å; V317-A328 HydrophobicContact CB-CB 4.22Å; V317-A328 HydrophobicContact CG1-CB 3.95Å; V317-A328 HydrophobicContact CG2-CB 4.3Å; C324-A328 PolarHBondContact O-N 3.48Å; A325-A328 WeakPolarHBondContact O-CB 3.5Å; A325-A328 PolarHBondContact O-N 3.13Å; L326-A328 PolarHBondContact O-N 3.33Å; A328-D331 PolarHBondContact O-N 2.76Å; A328-G332 PolarHBondContact O-N 2.88Å; A328-F333 WeakPolarHBondContact O-CB 3.36Å; A328-F333 PolarHBondContact O-N 2.84Å
329	C	98.7	Very high	98.6	Very high	57 Å²	57	75 Å²	75	39%	0.385	39%	0.394	S	S	.	.	H	α-helix	trans	-61	-44.3	174.2	-68.5	0	0	0	0	111.8	A325 L326 Q327 D331 G332	A325-C329 PolarHBondContact O-N 3.48Å; A325-C329 VanDerWaalsContact O-N 3.08Å; A325-C329 PolarHBondContact O-SG 2.91Å; A325-C329 VanDerWaalsContact O-SG 3.39Å; L326-C329 WeakPolarHBondContact O-CB 3.49Å; L326-C329 PolarHBondContact O-N 3.2Å; Q327-C329 VanDerWaalsContact C-N 3.3Å; Q327-C329 PolarHBondContact O-N 3.39Å; C329-D331 VanDerWaalsContact C-N 3.34Å; C329-D331 PolarHBondContact O-N 3.03Å; C329-G332 PolarHBondContact O-N 3.02Å; C329-G332 VanDerWaalsContact O-N 3.09Å
330	M	98.6	Very high	98.6	Very high	141 Å²	141	78.7 Å²	78.7	70%	0.695	41%	0.411	S	S	*	.	H	α-helix	trans	-68.3	-30.8	179.4	-67	-58.3	104.3	0	0	113	L326 Q327 G332	L326-M330 HydrophobicContact CD1-CE 4.15Å; L326-M330 VanDerWaalsContact O-CG 3.32Å; L326-M330 WeakPolarHBondContact O-CG 3.44Å; L326-M330 PolarHBondContact O-N 2.92Å; Q327-M330 PolarHBondContact O-N 2.97Å; Q327-M330 VanDerWaalsContact O-N 3.09Å; M330-G332 PolarHBondContact O-N 3Å
331	D	98.7	Very high	98.6	Very high	81 Å²	81	71.6 Å²	71.6	43%	0.433	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	1.4	173.1	-63.8	-22.3	0	0	0	112.6	Y297 K309 Q327 A328 C329 F333	Y297-D331 WeakPolarHBondContact CE1-OD2 3.35Å; Y297-D331 WeakPolarHBondContact OH-CB 3.46Å; Y297-D331 PolarHBondContact OH-OD2 2.75Å; K309-D331 PolarHBondContact NZ-O 2.96Å; Q327-D331 VanDerWaalsContact O-CG 3.28Å; Q327-D331 PolarHBondContact O-N 2.85Å; A328-D331 PolarHBondContact O-N 2.76Å; C329-D331 VanDerWaalsContact C-N 3.34Å; C329-D331 PolarHBondContact O-N 3.03Å; D331-F333 HydrophobicContact CB-CD2 3.72Å; D331-F333 HydrophobicContact CB-CE2 3.67Å
332	G	98.6	Very high	98.6	Very high	51 Å²	51	68.4 Å²	68.4	53%	0.526	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	34.4	175.6	0	0	0	0	0	113.7	K309 A328 C329 M330	K309-G332 PolarHBondContact NZ-O 2.99Å; K309-G332 VanDerWaalsContact NZ-O 3.16Å; A328-G332 PolarHBondContact O-N 2.88Å; C329-G332 PolarHBondContact O-N 3.02Å; C329-G332 VanDerWaalsContact O-N 3.09Å; M330-G332 PolarHBondContact O-N 3Å
333	F	98.9	Very high	98.7	Very high	17 Å²	17	70 Å²	70	8%	0.075	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-102.2	150.4	170.5	-60.1	-76.1	0	0	0	111.3	Y297 C305 K309 V315 V317 A328 D331	Y297-F333 HydrophobicContact CE2-CD2 4.05Å; Y297-F333 HydrophobicContact CE2-CE2 4.14Å; Y297-F333 AromaticContact CZ-CD2 3.95Å; Y297-F333 WeakPolarHBondContact OH-CD2 3.24Å; Y297-F333 WeakPolarHBondContact OH-CE2 3.34Å; C305-F333 HydrophobicContact CB-CE1 3.84Å; C305-F333 HydrophobicContact CB-CE2 4.02Å; C305-F333 HydrophobicContact CB-CZ 3.58Å; K309-F333 HydrophobicContact CB-CE1 4.04Å; K309-F333 HydrophobicContact CB-CZ 4.3Å; K309-F333 HydrophobicContact CD-CD1 4.45Å; K309-F333 HydrophobicContact CD-CE1 3.56Å; K309-F333 HydrophobicContact CD-CZ 3.62Å; K309-F333 HydrophobicContact CG-CE1 4.31Å; V315-F333 HydrophobicContact CB-CD1 3.78Å; V315-F333 HydrophobicContact CB-CE1 3.79Å; V315-F333 HydrophobicContact CG1-CD1 3.96Å; V315-F333 HydrophobicContact CG1-CE1 4.02Å; V315-F333 HydrophobicContact CG2-CE1 4.37Å; V317-F333 HydrophobicContact CG2-CB 3.79Å; V317-F333 HydrophobicContact CG2-CD1 4.5Å; V317-F333 HydrophobicContact CG2-CG 4.07Å; A328-F333 WeakPolarHBondContact O-CB 3.36Å; A328-F333 PolarHBondContact O-N 2.84Å; D331-F333 HydrophobicContact CB-CD2 3.72Å; D331-F333 HydrophobicContact CB-CE2 3.67Å
334	R	98.8	Very high	98.7	Very high	180 Å²	180	68.2 Å²	68.2	68%	0.679	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	116.6	171.2	-72.6	-65.5	-60.1	178.5	0.3	109.2	Y316 V317	Y316-R334 HydrophobicContact CD1-CB 3.89Å; Y316-R334 HydrophobicContact CE1-CB 4.37Å; V317-R334 PolarHBondContact N-O 2.87Å
335	L	98.8	Very high	98.7	Very high	56 Å²	56	67.1 Å²	67.1	29%	0.293	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.3	172.5	-165.3	-72.1	0	0	0	109.6	V317 E319 A325	V317-L335 HydrophobicContact CB-CD2 4.16Å; V317-L335 HydrophobicContact CG1-CD2 3.91Å; V317-L335 WeakPolarHBondContact O-CA 3.49Å; V317-L335 WeakPolarHBondContact O-CD2 3.49Å; E319-L335 HydrophobicContact CB-CD2 4.1Å; A325-L335 HydrophobicContact CB-CD1 4.5Å; A325-L335 HydrophobicContact CB-CD2 4.16Å; A325-L335 HydrophobicContact CB-CG 4.02Å
336	V	98.9	Very high	98.7	Very high	15 Å²	15	68.1 Å²	68.1	9%	0.091	34%	0.336	C	S	.	.			trans	-139.4	165.4	-174.6	-61	0	0	0	0	110.8	Y316 V317 T318 V341	Y316-V336 HydrophobicContact CD1-CG1 4.41Å; V317-V336 PolarHBondContact O-N 3.15Å; T318-V336 WeakPolarHBondContact CA-O 3.44Å; T318-V336 WeakPolarHBondContact CB-O 3.36Å; T318-V336 HydrophobicContact CG2-CG2 4.44Å; T318-V336 WeakPolarHBondContact CG2-O 3.38Å; V336-V341 HydrophobicContact CB-CG1 4.46Å; V336-V341 HydrophobicContact CG1-CG1 4.41Å; V336-V341 HydrophobicContact CG2-CG1 4Å; V336-V341 HydrophobicContact CG2-CG2 3.98Å
337	K	98.8	Very high	98.7	Very high	158 Å²	158	63 Å²	63	69%	0.687	31%	0.309	S	S	*	.			trans	-83.5	145.4	160.2	-60.6	175.5	-178.7	176.2	0	109.3	N339 E340	K337-N339 PolarHBondContact O-N 2.94Å; K337-N339 VanDerWaalsContact O-N 3.16Å; K337-E340 HydrophobicContact CB-CG 4.23Å; K337-E340 VanDerWaalsContact CB-OE1 3.26Å; K337-E340 WeakPolarHBondContact CB-OE1 3.49Å; K337-E340 PolarHBondContact N-OE1 3.24Å; K337-E340 WeakPolarHBondContact O-CB 3.38Å; K337-E340 PolarHBondContact O-N 3.26Å
338	L	98.8	Very high	98.7	Very high	16 Å²	16	59 Å²	59	8%	0.084	29%	0.291	C	S	.	.	H	α-helix	trans	-53.7	-41.9	-177.4	-173.7	58.7	0	0	0	112.8	V293 T318 E340 V341 I342 V357 V358	V293-L338 HydrophobicContact CB-CD1 4.46Å; V293-L338 HydrophobicContact CG1-CD1 3.81Å; V293-L338 HydrophobicContact CG2-CD1 3.86Å; T318-L338 HydrophobicContact CG2-CB 4.26Å; L338-E340 PolarHBondContact O-N 3.32Å; L338-E340 VanDerWaalsContact O-N 3.09Å; L338-V341 PolarHBondContact O-N 2.76Å; L338-V341 VanDerWaalsContact O-N 3.13Å; L338-I342 HydrophobicContact CD1-CD1 4.01Å; L338-I342 HydrophobicContact CG-CD1 4.19Å; L338-I342 WeakPolarHBondContact O-CB 3.18Å; L338-I342 PolarHBondContact O-N 3.03Å; L338-V357 WeakPolarHBondContact CD2-O 3.48Å; L338-V358 HydrophobicContact CD2-CG2 4.17Å
339	N	98.6	Very high	98.7	Very high	86 Å²	86	59 Å²	59	46%	0.46	29%	0.291	S	S	.	.	H	α-helix	trans	-58.1	-22.6	179.1	-82.2	-45.6	0	0	0	115.2	K337 R343 H362	K337-N339 PolarHBondContact O-N 2.94Å; K337-N339 VanDerWaalsContact O-N 3.16Å; N339-R343 PolarHBondContact O-NH1 3.35Å; N339-H362 PolarHBondContact OD1-CD2 3.35Å; N339-H362 VanDerWaalsContact OD1-CD2 3.29Å; N339-H362 PolarHBondContact OD1-NE2 3.35Å
340	E	98.8	Very high	98.7	Very high	124 Å²	124	56.3 Å²	56.3	58%	0.579	27%	0.272	S	S	*	.	H	α-helix	trans	-74.7	-32.6	-180	-61.7	176.6	-112.4	0	0	111.7	K337 L338	K337-E340 HydrophobicContact CB-CG 4.23Å; K337-E340 VanDerWaalsContact CB-OE1 3.26Å; K337-E340 WeakPolarHBondContact CB-OE1 3.49Å; K337-E340 PolarHBondContact N-OE1 3.24Å; K337-E340 WeakPolarHBondContact O-CB 3.38Å; K337-E340 PolarHBondContact O-N 3.26Å; L338-E340 PolarHBondContact O-N 3.32Å; L338-E340 VanDerWaalsContact O-N 3.09Å
341	V	98.7	Very high	98.7	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-116.6	-11	-171.7	-61.2	0	0	0	0	114.1	V293 Y316 V336 L338 R343 Q344 V345	V293-V341 HydrophobicContact CB-CG2 4.1Å; V293-V341 HydrophobicContact CG2-CG2 4.05Å; Y316-V341 HydrophobicContact CD1-CG1 4.14Å; Y316-V341 HydrophobicContact CD2-CB 4.41Å; Y316-V341 HydrophobicContact CD2-CG1 4.28Å; Y316-V341 HydrophobicContact CE1-CG1 4.33Å; Y316-V341 HydrophobicContact CE2-CG1 4.46Å; Y316-V341 HydrophobicContact CG-CG1 4.12Å; V336-V341 HydrophobicContact CB-CG1 4.46Å; V336-V341 HydrophobicContact CG1-CG1 4.41Å; V336-V341 HydrophobicContact CG2-CG1 4Å; V336-V341 HydrophobicContact CG2-CG2 3.98Å; L338-V341 PolarHBondContact O-N 2.76Å; L338-V341 VanDerWaalsContact O-N 3.13Å; V341-R343 PolarHBondContact O-N 3.28Å; V341-Q344 HydrophobicContact CB-CG 4.36Å; V341-Q344 VanDerWaalsContact O-CG 3.22Å; V341-Q344 WeakPolarHBondContact O-CG 3.47Å; V341-Q344 PolarHBondContact O-N 3.25Å; V341-V345 HydrophobicContact CB-CG1 3.96Å; V341-V345 HydrophobicContact CG2-CG1 4.02Å; V341-V345 WeakPolarHBondContact O-CG1 3.32Å; V341-V345 PolarHBondContact O-N 3.25Å
342	I	98.7	Very high	98.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-28	-172.5	-164.1	60.8	0	0	0	114.6	L338 V348 H362 R365 M366	L338-I342 HydrophobicContact CD1-CD1 4.01Å; L338-I342 HydrophobicContact CG-CD1 4.19Å; L338-I342 WeakPolarHBondContact O-CB 3.18Å; L338-I342 PolarHBondContact O-N 3.03Å; I342-V348 HydrophobicContact CD1-CG2 4.07Å; I342-H362 HydrophobicContact CD1-CB 4.24Å; I342-H362 HydrophobicContact CG1-CB 4.06Å; I342-H362 WeakPolarHBondContact CG1-O 3.27Å; I342-R365 HydrophobicContact CG2-CB 4.02Å; I342-M366 HydrophobicContact CD1-CE 3.61Å; I342-M366 HydrophobicContact CD1-CG 3.85Å; I342-M366 HydrophobicContact CG1-CG 4.02Å
343	R	98.7	Very high	97.9	Very high	133 Å²	133	48.9 Å²	48.9	50%	0.502	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-18.5	179.9	-65	179.2	-172.7	76.7	-5.5	114	N339 V341 R365	N339-R343 PolarHBondContact O-NH1 3.35Å; V341-R343 PolarHBondContact O-N 3.28Å; R343-R365 HydrophobicContact CG-CB 4.28Å; R343-R365 WeakPolarHBondContact CG-O 3.26Å
344	Q	98.3	Very high	97.5	Very high	82 Å²	82	52.3 Å²	52.3	38%	0.383	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-22.5	-172.1	63.3	-178.5	65.4	0	0	114.1	Y316 V341 K367	Y316-Q344 PolarHBondContact OH-NE2 2.86Å; V341-Q344 HydrophobicContact CB-CG 4.36Å; V341-Q344 VanDerWaalsContact O-CG 3.22Å; V341-Q344 WeakPolarHBondContact O-CG 3.47Å; V341-Q344 PolarHBondContact O-N 3.25Å; Q344-K367 WeakPolarHBondContact O-CE 3.21Å; Q344-K367 PolarHBondContact O-NZ 2.99Å
345	V	98.8	Very high	97.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.253	C	S	.	.			trans	-66.6	143.1	-176.9	-68.5	0	0	0	0	112.6	Q291 V293 Y316 V341 V348 K367 C370	Q291-V345 HydrophobicContact CB-CG1 4.47Å; V293-V345 HydrophobicContact CB-CG1 4.06Å; V293-V345 HydrophobicContact CG1-CB 4.25Å; V293-V345 HydrophobicContact CG1-CG1 3.98Å; V293-V345 HydrophobicContact CG1-CG2 3.96Å; Y316-V345 HydrophobicContact CD2-CG1 4.06Å; Y316-V345 HydrophobicContact CE2-CG1 4.33Å; V341-V345 HydrophobicContact CB-CG1 3.96Å; V341-V345 HydrophobicContact CG2-CG1 4.02Å; V341-V345 WeakPolarHBondContact O-CG1 3.32Å; V341-V345 PolarHBondContact O-N 3.25Å; V345-V348 HydrophobicContact CG2-CG2 3.8Å; V345-K367 VanDerWaalsContact O-CE 3.22Å; V345-K367 WeakPolarHBondContact O-CE 3.22Å; V345-C370 PolarHBondContact O-SG 3.37Å; V345-C370 VanDerWaalsContact O-SG 3.41Å
346	D	98.9	Very high	97.1	Very high	36 Å²	36	51.5 Å²	51.5	19%	0.193	26%	0.26	C	S	.	.	S	Bend	trans	-84.7	-32.2	172.9	-60.4	-71.5	0	0	0	112.1	K290 Q291 K367 I371	K290-D346 HydrophobicContact CB-CB 4.32Å; K290-D346 HydrophobicContact CD-CB 3.63Å; Q291-D346 PolarHBondContact N-OD2 3.12Å; Q291-D346 PolarHBondContact O-N 2.88Å; D346-K367 WeakPolarHBondContact OD1-CE 3.37Å; D346-K367 IonicContact OD1-NZ 3.29Å; D346-K367 PolarHBondContact OD1-NZ 2.59Å; D346-K367 IonicContact OD2-NZ 2.95Å; D346-I371 PolarHBondContact O-N 3.39Å
347	I	98.9	Very high	97	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	134.2	-174.1	-45.2	177.2	0	0	0	109.6	L279 M285 K290 Q291 V292 V293 I349 I371	L279-I347 HydrophobicContact CD1-CD1 4.48Å; L279-I347 HydrophobicContact CD2-CG2 4.41Å; M285-I347 HydrophobicContact CE-CD1 3.81Å; M285-I347 HydrophobicContact CE-CG1 4.42Å; M285-I347 HydrophobicContact SD-CD1 3.46Å; M285-I347 WeakPolarHBondContact SD-CD1 3.41Å; K290-I347 HydrophobicContact CB-CD1 4.35Å; Q291-I347 PolarHBondContact O-N 3.37Å; V292-I347 WeakPolarHBondContact CA-O 3.38Å; V292-I347 HydrophobicContact CB-CB 4.33Å; V292-I347 HydrophobicContact CG1-CB 3.92Å; V292-I347 HydrophobicContact CG1-CG2 4.21Å; V292-I347 HydrophobicContact CG2-CB 3.98Å; V292-I347 HydrophobicContact CG2-CD1 3.85Å; V292-I347 HydrophobicContact CG2-CG1 4.14Å; V293-I347 PolarHBondContact N-O 3.4Å; I347-I349 HydrophobicContact CG2-CD1 4.21Å; I347-I349 HydrophobicContact CG2-CG1 3.86Å; I347-I371 CarbonylContact C-O 3.54Å; I347-I371 VanDerWaalsContact CA-O 3.32Å; I347-I371 WeakPolarHBondContact CA-O 3.28Å; I347-I371 HydrophobicContact CG2-CB 4.44Å; I347-I371 HydrophobicContact CG2-CG2 4.42Å
348	V	98.9	Very high	97	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.9	170.2	-180	0	0	0	0	109.2	V293 I342 V345 V358 M366 I371 V372 C373	V293-V348 HydrophobicContact CG1-CB 4.12Å; V293-V348 HydrophobicContact CG1-CG1 4.11Å; V293-V348 HydrophobicContact CG1-CG2 3.63Å; I342-V348 HydrophobicContact CD1-CG2 4.07Å; V345-V348 HydrophobicContact CG2-CG2 3.8Å; V348-V358 HydrophobicContact CG1-CG2 3.76Å; V348-M366 HydrophobicContact CB-CE 4.23Å; V348-M366 HydrophobicContact CG1-CE 4.5Å; V348-M366 HydrophobicContact CG2-CE 3.71Å; V348-I371 PolarHBondContact N-O 2.85Å; V348-V372 HydrophobicContact CB-CG1 4.32Å; V348-C373 PolarHBondContact O-N 3.46Å
349	I	98.9	Very high	97	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.7	-179.9	-48.8	173.3	0	0	0	108.4	I275 V292 V293 V294 C295 L308 I347 C373 M375	I275-I349 HydrophobicContact CD1-CD1 3.89Å; I275-I349 HydrophobicContact CD1-CG2 4.28Å; I275-I349 HydrophobicContact CG1-CD1 4.04Å; V292-I349 HydrophobicContact CG1-CD1 3.74Å; V292-I349 HydrophobicContact CG1-CG1 4.14Å; V293-I349 PolarHBondContact O-N 2.77Å; V294-I349 WeakPolarHBondContact CA-O 3.16Å; V294-I349 HydrophobicContact CG2-CB 4.38Å; V294-I349 HydrophobicContact CG2-CD1 4.26Å; C295-I349 PolarHBondContact N-O 2.89Å; L308-I349 HydrophobicContact CD1-CD1 3.38Å; I347-I349 HydrophobicContact CG2-CD1 4.21Å; I347-I349 HydrophobicContact CG2-CG1 3.86Å; I349-C373 WeakPolarHBondContact CA-O 3.5Å; I349-M375 HydrophobicContact CG2-CB 4.11Å; I349-M375 HydrophobicContact CG2-CG 3.79Å
350	T	98.7	Very high	97	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.1	175.7	60.3	0	0	0	0	111.3	V357 V358 C373 N374 M375 G376 E381 I382	T350-V357 HydrophobicContact CG2-CB 4.33Å; T350-V357 HydrophobicContact CG2-CG1 4.24Å; T350-V358 HydrophobicContact CG2-CG2 3.58Å; T350-C373 PolarHBondContact N-O 3.07Å; T350-C373 VanDerWaalsContact N-O 3.11Å; T350-N374 PolarHBondContact O-OD1 3.16Å; T350-N374 VanDerWaalsContact O-OD1 3.13Å; T350-N374 WeakPolarHBondContact OG1-CA 3.17Å; T350-N374 WeakPolarHBondContact OG1-CB 3.07Å; T350-N374 PolarHBondContact OG1-OD1 3.13Å; T350-M375 CarbonylContact O-C 3.52Å; T350-M375 PolarHBondContact O-N 2.81Å; T350-G376 PolarHBondContact O-N 3.16Å; T350-E381 VanDerWaalsContact CB-OE2 3.24Å; T350-E381 WeakPolarHBondContact CB-OE2 3.4Å; T350-E381 HydrophobicContact CG2-CB 4.22Å; T350-E381 WeakPolarHBondContact OG1-CB 3.43Å; T350-I382 HydrophobicContact CG2-CG1 4.05Å
351	C	97.1	Very high	97	Very high	12 Å²	12	42.6 Å²	42.6	8%	0.081	22%	0.219	C	C	.	.			trans	-139.3	35.2	-174.2	-56.8	0	0	0	0	111.7	V294 C295 V300 E381	V294-C351 HydrophobicContact CG1-CB 4.45Å; C295-C351 CarbonylContact O-C 3.57Å; C295-C351 WeakPolarHBondContact O-CA 3.42Å; C295-C351 WeakPolarHBondContact O-CB 3.34Å; C295-C351 PolarHBondContact O-N 3.42Å; V300-C351 HydrophobicContact CB-CB 4.41Å; V300-C351 HydrophobicContact CG1-CB 3.91Å; C351-E381 PolarHBondContact N-OE2 3.45Å
352	T	94.3	Very high	97	Very high	53 Å²	53	43.4 Å²	43.4	33%	0.325	22%	0.222	S	C	.	.	S	Bend	trans	-103.3	-25.7	-165.5	67.7	0	0	0	0	114.8	C295 N354 V357 E381	C295-T352 HydrophobicContact CB-CG2 3.99Å; C295-T352 WeakPolarHBondContact O-CG2 3.4Å; T352-N354 PolarHBondContact O-N 2.92Å; T352-N354 WeakPolarHBondContact OG1-CB 3.47Å; T352-N354 PolarHBondContact OG1-N 3.1Å; T352-V357 HydrophobicContact CG2-CG1 4.2Å; T352-V357 HydrophobicContact CG2-CG2 3.96Å; T352-V357 VanDerWaalsContact OG1-CG2 3.31Å; T352-V357 WeakPolarHBondContact OG1-CG2 3.35Å; T352-E381 WeakPolarHBondContact CB-OE2 3.47Å; T352-E381 PolarHBondContact N-OE1 3.14Å; T352-E381 PolarHBondContact N-OE2 2.85Å; T352-E381 PolarHBondContact OG1-OE2 2.73Å
353	G	85.9	Confident	97	Very high	51 Å²	51	43.4 Å²	43.4	53%	0.526	22%	0.222	S	C	.	.	S	Bend	trans	67.8	12.7	-166.1	0	0	0	0	0	114	E381	G353-E381 WeakPolarHBondContact CA-OE1 3.47Å; G353-E381 PolarHBondContact N-OE1 2.9Å
354	N	90.9	Very high	97	Very high	89 Å²	89	40.1 Å²	40.1	48%	0.476	22%	0.215	S	C	.	.			trans	-102.1	-164.2	-178.9	-156.7	-10.6	0	0	0	111.2	T352 V357 E381	T352-N354 PolarHBondContact O-N 2.92Å; T352-N354 WeakPolarHBondContact OG1-CB 3.47Å; T352-N354 PolarHBondContact OG1-N 3.1Å; N354-V357 HydrophobicContact CB-CG2 4.2Å; N354-E381 WeakPolarHBondContact O-CG 3.38Å
355	K	92.1	Very high	97.1	Very high	136 Å²	136	42 Å²	42	59%	0.591	22%	0.218	S	C	*	.	S	Bend	trans	-132.2	155.4	173.7	64.8	179.2	-178	177.3	0	111.3	V357 T380	K355-V357 PolarHBondContact O-N 2.94Å; K355-T380 CarbonylContact C-O 3.6Å; K355-T380 VanDerWaalsContact CA-O 3.26Å; K355-T380 WeakPolarHBondContact CA-O 3.4Å
356	N	96.8	Very high	97.1	Very high	84 Å²	84	42.2 Å²	42.2	45%	0.449	22%	0.22	S	C	.	.			trans	55.1	38.1	177.2	-58.3	-15	0	0	0	113	T359 T380	N356-T359 HydrophobicContact CB-CG2 4.34Å; N356-T359 WeakPolarHBondContact O-CG2 3.32Å; N356-T380 PolarHBondContact N-O 3.29Å
357	V	98.4	Very high	97	Very high	28 Å²	28	43.6 Å²	43.6	17%	0.17	22%	0.224	C	C	.	.	S	Bend	trans	-70.3	-43.5	173.2	-178	0	0	0	0	109.3	C295 L338 T350 T352 N354 K355 H362 E381	C295-V357 HydrophobicContact CB-CG1 3.6Å; L338-V357 WeakPolarHBondContact CD2-O 3.48Å; T350-V357 HydrophobicContact CG2-CB 4.33Å; T350-V357 HydrophobicContact CG2-CG1 4.24Å; T352-V357 HydrophobicContact CG2-CG1 4.2Å; T352-V357 HydrophobicContact CG2-CG2 3.96Å; T352-V357 VanDerWaalsContact OG1-CG2 3.31Å; T352-V357 WeakPolarHBondContact OG1-CG2 3.35Å; N354-V357 HydrophobicContact CB-CG2 4.2Å; K355-V357 PolarHBondContact O-N 2.94Å; V357-H362 PolarHBondContact O-ND1 3.38Å; V357-E381 WeakPolarHBondContact CA-O 3.43Å; V357-E381 WeakPolarHBondContact CB-O 3.4Å; V357-E381 HydrophobicContact CG2-CB 4.38Å; V357-E381 HydrophobicContact CG2-CG 4.45Å; V357-E381 PolarHBondContact N-O 3.06Å
358	V	98.8	Very high	97	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-111.7	103.9	173.1	-177.7	0	0	0	0	108.2	L338 V348 T350 H362 L363 M366 E381 I382 D383	L338-V358 HydrophobicContact CD2-CG2 4.17Å; V348-V358 HydrophobicContact CG1-CG2 3.76Å; T350-V358 HydrophobicContact CG2-CG2 3.58Å; V358-H362 HydrophobicContact CG1-CB 4.09Å; V358-L363 HydrophobicContact CG1-CD2 3.88Å; V358-L363 HydrophobicContact CG1-CG 3.93Å; V358-M366 HydrophobicContact CG1-CE 3.81Å; V358-E381 PolarHBondContact N-O 3.4Å; V358-I382 HydrophobicContact CB-CG1 4.24Å; V358-I382 HydrophobicContact CB-CG2 4.38Å; V358-I382 HydrophobicContact CG1-CG2 4.42Å; V358-I382 HydrophobicContact CG2-CG1 4.48Å; V358-D383 PolarHBondContact O-N 2.98Å
359	T	98.8	Very high	97	Very high	29 Å²	29	50.8 Å²	50.8	18%	0.178	27%	0.267	C	S	.	.			trans	-91.1	173.1	-178.6	70.6	0	0	0	0	111.7	N356 E361 H362 L363	N356-T359 HydrophobicContact CB-CG2 4.34Å; N356-T359 WeakPolarHBondContact O-CG2 3.32Å; T359-E361 WeakPolarHBondContact CB-OE2 3.44Å; T359-E361 PolarHBondContact O-N 3.15Å; T359-E361 PolarHBondContact OG1-N 3.47Å; T359-E361 PolarHBondContact OG1-OE2 3.27Å; T359-H362 PolarHBondContact N-ND1 2.9Å; T359-H362 WeakPolarHBondContact O-CB 3.33Å; T359-H362 PolarHBondContact O-N 2.94Å; T359-H362 VanDerWaalsContact O-N 3.08Å; T359-L363 WeakPolarHBondContact O-CG 3.28Å; T359-L363 PolarHBondContact O-N 3.43Å; T359-L363 VanDerWaalsContact O-N 3.1Å
360	R	98.5	Very high	97	Very high	42 Å²	42	50.8 Å²	50.8	16%	0.158	27%	0.267	C	S	.	.	H	α-helix	trans	-50.7	-43.8	172.3	-177.2	54.4	-172	-96.4	-5.2	112.7	H362 L363 D364 S386 T389 E391	R360-H362 VanDerWaalsContact C-N 3.29Å; R360-H362 PolarHBondContact O-N 2.66Å; R360-L363 WeakPolarHBondContact O-CB 3.42Å; R360-L363 PolarHBondContact O-N 2.86Å; R360-L363 VanDerWaalsContact O-N 3.14Å; R360-D364 IonicContact CZ-OD1 2.71Å; R360-D364 IonicContact NE-OD1 3.71Å; R360-D364 PolarHBondContact NE-OD1 3.27Å; R360-D364 IonicContact NE-OD2 3.45Å; R360-D364 IonicContact NH2-OD1 3.52Å; R360-D364 VanDerWaalsContact O-CG 3.27Å; R360-D364 PolarHBondContact O-N 3.38Å; R360-S386 WeakPolarHBondContact CB-OG 3.39Å; R360-S386 PolarHBondContact NH1-O 2.72Å; R360-T389 PolarHBondContact NH1-OG1 3.32Å; R360-T389 VanDerWaalsContact NH1-OG1 3.12Å; R360-E391 IonicContact CZ-OE1 2.89Å; R360-E391 IonicContact NH1-OE1 3.78Å; R360-E391 PolarHBondContact NH1-OE1 2.99Å; R360-E391 IonicContact NH2-OE1 3.73Å; R360-E391 PolarHBondContact NH2-OE1 3.33Å
361	E	98.8	Very high	97	Very high	113 Å²	113	51.7 Å²	51.7	53%	0.528	27%	0.272	S	S	.	.	H	α-helix	trans	-66.3	-32.3	-178.4	-59.1	75.2	-163.9	0	0	112.2	T359 R365	T359-E361 WeakPolarHBondContact CB-OE2 3.44Å; T359-E361 PolarHBondContact O-N 3.15Å; T359-E361 PolarHBondContact OG1-N 3.47Å; T359-E361 PolarHBondContact OG1-OE2 3.27Å; E361-R365 VanDerWaalsContact O-CG 3.25Å; E361-R365 WeakPolarHBondContact O-CG 3.49Å; E361-R365 PolarHBondContact O-N 3.14Å
362	H	98.9	Very high	97	Very high	23 Å²	23	51.1 Å²	51.1	11%	0.106	27%	0.268	C	S	.	.	H	α-helix	trans	-67.8	-46.3	172.5	-64.1	143.9	0	0	0	110.4	N339 I342 V357 V358 T359 R360 D364 R365 M366	N339-H362 PolarHBondContact OD1-CD2 3.35Å; N339-H362 VanDerWaalsContact OD1-CD2 3.29Å; N339-H362 PolarHBondContact OD1-NE2 3.35Å; I342-H362 HydrophobicContact CD1-CB 4.24Å; I342-H362 HydrophobicContact CG1-CB 4.06Å; I342-H362 WeakPolarHBondContact CG1-O 3.27Å; V357-H362 PolarHBondContact O-ND1 3.38Å; V358-H362 HydrophobicContact CG1-CB 4.09Å; T359-H362 PolarHBondContact N-ND1 2.9Å; T359-H362 WeakPolarHBondContact O-CB 3.33Å; T359-H362 PolarHBondContact O-N 2.94Å; T359-H362 VanDerWaalsContact O-N 3.08Å; R360-H362 VanDerWaalsContact C-N 3.29Å; R360-H362 PolarHBondContact O-N 2.66Å; H362-D364 VanDerWaalsContact C-N 3.33Å; H362-D364 PolarHBondContact O-N 3.28Å; H362-R365 PolarHBondContact O-N 3.15Å; H362-R365 VanDerWaalsContact O-N 3.09Å; H362-M366 WeakPolarHBondContact O-CG 3.24Å; H362-M366 PolarHBondContact O-N 2.89Å
363	L	98.8	Very high	97.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-38.8	179.4	-63.3	159.1	0	0	0	111.8	V358 T359 R360 R365 M366 V372 I382 L387 W406 K410 I412	V358-L363 HydrophobicContact CG1-CD2 3.88Å; V358-L363 HydrophobicContact CG1-CG 3.93Å; T359-L363 WeakPolarHBondContact O-CG 3.28Å; T359-L363 PolarHBondContact O-N 3.43Å; T359-L363 VanDerWaalsContact O-N 3.1Å; R360-L363 WeakPolarHBondContact O-CB 3.42Å; R360-L363 PolarHBondContact O-N 2.86Å; R360-L363 VanDerWaalsContact O-N 3.14Å; L363-R365 VanDerWaalsContact C-N 3.26Å; L363-R365 PolarHBondContact O-N 3.4Å; L363-M366 HydrophobicContact CD2-CE 3.78Å; L363-M366 HydrophobicContact CD2-SD 3.95Å; L363-M366 PolarHBondContact O-N 2.94Å; L363-V372 HydrophobicContact CD2-CG1 4.46Å; L363-V372 HydrophobicContact CD2-CG2 4.27Å; L363-I382 HydrophobicContact CD1-CG2 4.47Å; L363-L387 HydrophobicContact CB-CD2 4.39Å; L363-L387 HydrophobicContact CD1-CD1 4.03Å; L363-L387 HydrophobicContact CD1-CD2 3.92Å; L363-L387 HydrophobicContact CD1-CG 3.96Å; L363-W406 HydrophobicContact CB-CH2 4.27Å; L363-W406 HydrophobicContact CB-CZ2 4.31Å; L363-K410 PolarHBondContact O-NZ 3.43Å; L363-I412 HydrophobicContact CD2-CD1 3.71Å
364	D	98.6	Very high	97.8	Very high	65 Å²	65	46.2 Å²	46.2	35%	0.348	23%	0.228	S	C	.	.	H	α-helix	trans	-60.7	-35.8	174.3	-72	-24.6	0	0	0	112	R360 H362 W406 K410	R360-D364 IonicContact CZ-OD1 2.71Å; R360-D364 IonicContact NE-OD1 3.71Å; R360-D364 PolarHBondContact NE-OD1 3.27Å; R360-D364 IonicContact NE-OD2 3.45Å; R360-D364 IonicContact NH2-OD1 3.52Å; R360-D364 VanDerWaalsContact O-CG 3.27Å; R360-D364 PolarHBondContact O-N 3.38Å; H362-D364 VanDerWaalsContact C-N 3.33Å; H362-D364 PolarHBondContact O-N 3.28Å; D364-W406 WeakPolarHBondContact OD1-CZ2 3.45Å; D364-W406 PolarHBondContact OD1-NE1 3.3Å; D364-K410 VanDerWaalsContact C-NZ 3.29Å; D364-K410 VanDerWaalsContact CA-NZ 3.32Å; D364-K410 PolarHBondContact O-NZ 2.71Å
365	R	98.6	Very high	98	Very high	121 Å²	121	42.2 Å²	42.2	46%	0.457	21%	0.206	S	C	.	.	H	α-helix	trans	-86.5	-11.7	-177.2	-69.6	178.8	-172.1	-73	8.1	115	I342 R343 E361 H362 L363	I342-R365 HydrophobicContact CG2-CB 4.02Å; R343-R365 HydrophobicContact CG-CB 4.28Å; R343-R365 WeakPolarHBondContact CG-O 3.26Å; E361-R365 VanDerWaalsContact O-CG 3.25Å; E361-R365 WeakPolarHBondContact O-CG 3.49Å; E361-R365 PolarHBondContact O-N 3.14Å; H362-R365 PolarHBondContact O-N 3.15Å; H362-R365 VanDerWaalsContact O-N 3.09Å; L363-R365 VanDerWaalsContact C-N 3.26Å; L363-R365 PolarHBondContact O-N 3.4Å
366	M	98.7	Very high	97.8	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.025	19%	0.186	C	C	.	.	S	Bend	trans	-61.5	149.6	178.7	-72.7	176.4	-177.2	0	0	111.3	I342 V348 V358 H362 L363 C370 V372 K410 I412	I342-M366 HydrophobicContact CD1-CE 3.61Å; I342-M366 HydrophobicContact CD1-CG 3.85Å; I342-M366 HydrophobicContact CG1-CG 4.02Å; V348-M366 HydrophobicContact CB-CE 4.23Å; V348-M366 HydrophobicContact CG1-CE 4.5Å; V348-M366 HydrophobicContact CG2-CE 3.71Å; V358-M366 HydrophobicContact CG1-CE 3.81Å; H362-M366 WeakPolarHBondContact O-CG 3.24Å; H362-M366 PolarHBondContact O-N 2.89Å; L363-M366 HydrophobicContact CD2-CE 3.78Å; L363-M366 HydrophobicContact CD2-SD 3.95Å; L363-M366 PolarHBondContact O-N 2.94Å; M366-C370 HydrophobicContact CB-CB 3.86Å; M366-C370 HydrophobicContact CG-CB 4.27Å; M366-C370 HydrophobicContact SD-CB 4.09Å; M366-V372 HydrophobicContact CE-CG1 4.35Å; M366-V372 HydrophobicContact CE-CG2 3.67Å; M366-V372 HydrophobicContact SD-CG2 3.48Å; M366-V372 WeakPolarHBondContact SD-CG2 3.31Å; M366-K410 WeakPolarHBondContact O-CD 3.27Å; M366-I412 HydrophobicContact CB-CG2 4.34Å; M366-I412 HydrophobicContact SD-CG2 4.26Å
367	K	97.8	Very high	96.9	Very high	65 Å²	65	35.9 Å²	35.9	28%	0.283	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-69.5	159.6	170.5	69.8	-175.6	-171.5	-170	0	111.1	Q344 V345 D346 S369 C370	Q344-K367 WeakPolarHBondContact O-CE 3.21Å; Q344-K367 PolarHBondContact O-NZ 2.99Å; V345-K367 VanDerWaalsContact O-CE 3.22Å; V345-K367 WeakPolarHBondContact O-CE 3.22Å; D346-K367 WeakPolarHBondContact OD1-CE 3.37Å; D346-K367 IonicContact OD1-NZ 3.29Å; D346-K367 PolarHBondContact OD1-NZ 2.59Å; D346-K367 IonicContact OD2-NZ 2.95Å; K367-S369 PolarHBondContact O-N 3.4Å; K367-C370 WeakPolarHBondContact O-CB 3.49Å; K367-C370 PolarHBondContact O-N 3.28Å
368	N	98.7	Very high	96.1	Very high	86 Å²	86	36.7 Å²	36.7	46%	0.46	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	141	172.2	-171.9	51.4	0	0	0	111.2	C370 K410 R411	N368-C370 VanDerWaalsContact C-N 3.26Å; N368-C370 PolarHBondContact O-N 2.95Å; N368-K410 HydrophobicContact CB-CG 4.4Å; N368-R411 CarbonylContact C-O 3.59Å; N368-R411 WeakPolarHBondContact OD1-CG 3.49Å; N368-R411 PolarHBondContact OD1-N 3.45Å
369	S	98.2	Very high	95.5	Very high	65 Å²	65	40 Å²	40	46%	0.455	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	17.9	-176.8	74.4	0	0	0	0	116.7	K367 I371 R411	K367-S369 PolarHBondContact O-N 3.4Å; S369-I371 PolarHBondContact O-N 3.49Å; S369-R411 PolarHBondContact N-O 3.45Å
370	C	98.8	Very high	95	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	133.9	172.2	-166.7	0	0	0	0	110.7	V345 M366 K367 N368 I412 V413	V345-C370 PolarHBondContact O-SG 3.37Å; V345-C370 VanDerWaalsContact O-SG 3.41Å; M366-C370 HydrophobicContact CB-CB 3.86Å; M366-C370 HydrophobicContact CG-CB 4.27Å; M366-C370 HydrophobicContact SD-CB 4.09Å; K367-C370 WeakPolarHBondContact O-CB 3.49Å; K367-C370 PolarHBondContact O-N 3.28Å; N368-C370 VanDerWaalsContact C-N 3.26Å; N368-C370 PolarHBondContact O-N 2.95Å; C370-I412 WeakPolarHBondContact O-CA 3.44Å; C370-V413 PolarHBondContact O-N 3.4Å
371	I	98.9	Very high	94.9	Very high	19 Å²	19	39.4 Å²	39.4	10%	0.097	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	131.5	179.2	-63.1	167.8	0	0	0	108.9	L279 T283 M285 D346 I347 V348 S369 V413 L415	L279-I371 HydrophobicContact CD2-CG2 4.18Å; T283-I371 HydrophobicContact CG2-CD1 3.98Å; M285-I371 HydrophobicContact CE-CD1 3.17Å; M285-I371 HydrophobicContact CE-CG1 4.44Å; M285-I371 HydrophobicContact CE-CG2 4.42Å; D346-I371 PolarHBondContact O-N 3.39Å; I347-I371 CarbonylContact C-O 3.54Å; I347-I371 VanDerWaalsContact CA-O 3.32Å; I347-I371 WeakPolarHBondContact CA-O 3.28Å; I347-I371 HydrophobicContact CG2-CB 4.44Å; I347-I371 HydrophobicContact CG2-CG2 4.42Å; V348-I371 PolarHBondContact N-O 2.85Å; S369-I371 PolarHBondContact O-N 3.49Å; I371-V413 WeakPolarHBondContact CA-O 3.26Å; I371-V413 HydrophobicContact CG1-CB 3.95Å; I371-V413 HydrophobicContact CG1-CG1 4.47Å; I371-V413 HydrophobicContact CG1-CG2 4.26Å; I371-L415 HydrophobicContact CG2-CD1 3.79Å; I371-L415 HydrophobicContact CG2-CD2 4.47Å; I371-L415 HydrophobicContact CG2-CG 4.04Å
372	V	98.8	Very high	94.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123.8	-176.3	-166.1	0	0	0	0	109.2	V348 L363 M366 I382 V413 L414 L415	V348-V372 HydrophobicContact CB-CG1 4.32Å; L363-V372 HydrophobicContact CD2-CG1 4.46Å; L363-V372 HydrophobicContact CD2-CG2 4.27Å; M366-V372 HydrophobicContact CE-CG1 4.35Å; M366-V372 HydrophobicContact CE-CG2 3.67Å; M366-V372 HydrophobicContact SD-CG2 3.48Å; M366-V372 WeakPolarHBondContact SD-CG2 3.31Å; V372-I382 HydrophobicContact CG1-CD1 3.73Å; V372-I382 HydrophobicContact CG1-CG1 4.1Å; V372-I382 HydrophobicContact CG1-CG2 4.34Å; V372-V413 PolarHBondContact N-O 3.21Å; V372-L414 HydrophobicContact CB-CD1 4.35Å; V372-L415 PolarHBondContact O-N 3.5Å
373	C	98.5	Very high	94.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	161.8	178.1	68.1	0	0	0	0	112.8	V348 I349 T350 L415 L421	V348-C373 PolarHBondContact O-N 3.46Å; I349-C373 WeakPolarHBondContact CA-O 3.5Å; T350-C373 PolarHBondContact N-O 3.07Å; T350-C373 VanDerWaalsContact N-O 3.11Å; C373-L415 HydrophobicContact CB-CB 3.93Å; C373-L415 HydrophobicContact CB-CD1 3.92Å; C373-L415 HydrophobicContact CB-CG 4.15Å; C373-L421 HydrophobicContact CB-CB 4.33Å; C373-L421 HydrophobicContact CB-CD2 3.92Å
374	N	97.3	Very high	94.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.9	178.3	-176	24.9	0	0	0	109.8	T350 G376 H377 S378 I382 G418 L421	T350-N374 PolarHBondContact O-OD1 3.16Å; T350-N374 VanDerWaalsContact O-OD1 3.13Å; T350-N374 WeakPolarHBondContact OG1-CA 3.17Å; T350-N374 WeakPolarHBondContact OG1-CB 3.07Å; T350-N374 PolarHBondContact OG1-OD1 3.13Å; N374-G376 PolarHBondContact OD1-N 3.25Å; N374-H377 PolarHBondContact ND2-O 2.91Å; N374-H377 VanDerWaalsContact ND2-O 3.16Å; N374-S378 PolarHBondContact ND2-O 2.88Å; N374-S378 VanDerWaalsContact ND2-O 3.09Å; N374-I382 HydrophobicContact CB-CD1 4.09Å; N374-G418 WeakPolarHBondContact CB-O 3.17Å; N374-G418 PolarHBondContact ND2-O 3.29Å; N374-L421 WeakPolarHBondContact O-CB 3.32Å; N374-L421 PolarHBondContact O-N 3.34Å
375	M	95	Very high	94.7	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.025	20%	0.204	C	C	.	.	S	Bend	trans	-115.1	-1.5	170.4	-74.6	-68.5	-63.8	0	0	111.9	C271 I275 V300 I349 T350 L421 N422	C271-M375 HydrophobicContact CB-CE 3.9Å; I275-M375 HydrophobicContact CB-CE 4.26Å; I275-M375 HydrophobicContact CB-SD 4.49Å; I275-M375 HydrophobicContact CD1-CG 3.73Å; I275-M375 HydrophobicContact CD1-SD 3.98Å; V300-M375 HydrophobicContact CG1-CB 4.12Å; I349-M375 HydrophobicContact CG2-CB 4.11Å; I349-M375 HydrophobicContact CG2-CG 3.79Å; T350-M375 CarbonylContact O-C 3.52Å; T350-M375 PolarHBondContact O-N 2.81Å; M375-L421 HydrophobicContact SD-CB 3.99Å; M375-N422 HydrophobicContact CE-CB 3.94Å; M375-N422 HydrophobicContact SD-CB 4.02Å
376	G	87.4	Confident	94.7	Very high	17 Å²	17	31.3 Å²	31.3	18%	0.175	19%	0.189	C	C	.	.	S	Bend	trans	-90.1	-120	178.5	0	0	0	0	0	111.9	T350 N374 E381 L420	T350-G376 PolarHBondContact O-N 3.16Å; N374-G376 PolarHBondContact OD1-N 3.25Å; G376-E381 VanDerWaalsContact CA-OE1 3.26Å; G376-E381 WeakPolarHBondContact CA-OE1 3.5Å; G376-L420 WeakPolarHBondContact O-CD1 3.32Å; G376-L420 WeakPolarHBondContact O-CD2 3.35Å; G376-L420 VanDerWaalsContact O-CG 3.28Å; G376-L420 WeakPolarHBondContact O-CG 3.42Å
377	H	78.1	Confident	94.6	Very high	70 Å²	70	31.1 Å²	31.1	32%	0.324	19%	0.188	S	C	.	.	S	Bend	trans	-117.1	148	-169.9	178.6	-101.7	0	0	0	113.6	T235 N374 E381	T235-H377 WeakPolarHBondContact CB-NE2 3.3Å; T235-H377 PolarHBondContact OG1-CD2 3.34Å; T235-H377 PolarHBondContact OG1-CE1 2.84Å; T235-H377 PolarHBondContact OG1-NE2 3.34Å; N374-H377 PolarHBondContact ND2-O 2.91Å; N374-H377 VanDerWaalsContact ND2-O 3.16Å; H377-E381 PolarHBondContact N-OE1 2.59Å
378	S	81.9	Confident	94.6	Very high	46 Å²	46	34.4 Å²	34.4	32%	0.322	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	-141.2	173.2	-174	0	0	0	0	112.1	N374 R419 L420	N374-S378 PolarHBondContact ND2-O 2.88Å; N374-S378 VanDerWaalsContact ND2-O 3.09Å; S378-R419 WeakPolarHBondContact O-CA 3.44Å; S378-L420 WeakPolarHBondContact O-CD1 3.13Å
379	N	85.6	Confident	94.6	Very high	68 Å²	68	32.2 Å²	32.2	36%	0.364	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.8	21.8	175.5	66.6	-19.7	0	0	0	112.8	G418 R419	N379-G418 WeakPolarHBondContact CA-O 3.48Å; N379-R419 HydrophobicContact CB-CG 3.84Å
380	T	89.8	Confident	94.5	Very high	59 Å²	59	35.7 Å²	35.7	36%	0.362	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-6.8	-170.6	57.4	0	0	0	0	114.5	K355 N356 I382	K355-T380 CarbonylContact C-O 3.6Å; K355-T380 VanDerWaalsContact CA-O 3.26Å; K355-T380 WeakPolarHBondContact CA-O 3.4Å; N356-T380 PolarHBondContact N-O 3.29Å; T380-I382 PolarHBondContact O-N 3.15Å
381	E	95.3	Very high	94.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-36.1	172.2	-73.8	-165.5	-138.6	0	0	111.1	T350 C351 T352 G353 N354 V357 V358 G376 H377	T350-E381 VanDerWaalsContact CB-OE2 3.24Å; T350-E381 WeakPolarHBondContact CB-OE2 3.4Å; T350-E381 HydrophobicContact CG2-CB 4.22Å; T350-E381 WeakPolarHBondContact OG1-CB 3.43Å; C351-E381 PolarHBondContact N-OE2 3.45Å; T352-E381 WeakPolarHBondContact CB-OE2 3.47Å; T352-E381 PolarHBondContact N-OE1 3.14Å; T352-E381 PolarHBondContact N-OE2 2.85Å; T352-E381 PolarHBondContact OG1-OE2 2.73Å; G353-E381 WeakPolarHBondContact CA-OE1 3.47Å; G353-E381 PolarHBondContact N-OE1 2.9Å; N354-E381 WeakPolarHBondContact O-CG 3.38Å; V357-E381 WeakPolarHBondContact CA-O 3.43Å; V357-E381 WeakPolarHBondContact CB-O 3.4Å; V357-E381 HydrophobicContact CG2-CB 4.38Å; V357-E381 HydrophobicContact CG2-CG 4.45Å; V357-E381 PolarHBondContact N-O 3.06Å; V358-E381 PolarHBondContact N-O 3.4Å; G376-E381 VanDerWaalsContact CA-OE1 3.26Å; G376-E381 WeakPolarHBondContact CA-OE1 3.5Å; H377-E381 PolarHBondContact N-OE1 2.59Å
382	I	98.5	Very high	94.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-99.9	131.4	168.9	-55.8	157	0	0	0	107.4	T350 V358 L363 V372 N374 T380 V384 L414	T350-I382 HydrophobicContact CG2-CG1 4.05Å; V358-I382 HydrophobicContact CB-CG1 4.24Å; V358-I382 HydrophobicContact CB-CG2 4.38Å; V358-I382 HydrophobicContact CG1-CG2 4.42Å; V358-I382 HydrophobicContact CG2-CG1 4.48Å; L363-I382 HydrophobicContact CD1-CG2 4.47Å; V372-I382 HydrophobicContact CG1-CD1 3.73Å; V372-I382 HydrophobicContact CG1-CG1 4.1Å; V372-I382 HydrophobicContact CG1-CG2 4.34Å; N374-I382 HydrophobicContact CB-CD1 4.09Å; T380-I382 PolarHBondContact O-N 3.15Å; I382-V384 HydrophobicContact CB-CG2 4.11Å; I382-V384 HydrophobicContact CG2-CG2 3.92Å; I382-V384 PolarHBondContact O-N 2.95Å; I382-L414 HydrophobicContact CD1-CD1 4.42Å
383	D	97.8	Very high	94.5	Very high	44 Å²	44	42.9 Å²	42.9	24%	0.235	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	71.5	175.5	-171.2	-6.4	0	0	0	110.8	V358 A385 S386	V358-D383 PolarHBondContact O-N 2.98Å; D383-A385 VanDerWaalsContact C-N 3.26Å; D383-A385 PolarHBondContact O-N 3.27Å; D383-S386 VanDerWaalsContact CG-CB 3.43Å; D383-S386 WeakPolarHBondContact O-CB 3.29Å; D383-S386 PolarHBondContact O-N 3.38Å; D383-S386 PolarHBondContact O-OG 2.83Å; D383-S386 WeakPolarHBondContact OD1-CB 3.42Å; D383-S386 PolarHBondContact OD1-N 3.02Å; D383-S386 WeakPolarHBondContact OD2-CB 3.48Å
384	V	97.5	Very high	94.5	Very high	12 Å²	12	45.5 Å²	45.5	7%	0.073	26%	0.258	C	S	.	.			trans	-66.7	-30.4	-179.5	-179.8	0	0	0	0	111.5	I382 S386 L387 W394 L414	I382-V384 HydrophobicContact CB-CG2 4.11Å; I382-V384 HydrophobicContact CG2-CG2 3.92Å; I382-V384 PolarHBondContact O-N 2.95Å; V384-S386 VanDerWaalsContact C-N 3.26Å; V384-S386 PolarHBondContact O-N 2.71Å; V384-L387 WeakPolarHBondContact O-CB 3.25Å; V384-L387 PolarHBondContact O-N 3.33Å; V384-L387 VanDerWaalsContact O-N 3.09Å; V384-W394 HydrophobicContact CG1-CH2 3.9Å; V384-W394 HydrophobicContact CG1-CZ2 4.46Å; V384-L414 HydrophobicContact CG1-CD2 3.98Å; V384-L414 HydrophobicContact CG2-CD2 4.19Å
385	A	97.1	Very high	94.5	Very high	76 Å²	76	50 Å²	50	63%	0.628	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-60.7	-38.6	176.5	0	0	0	0	0	111.3	D383 L387 R388	D383-A385 VanDerWaalsContact C-N 3.26Å; D383-A385 PolarHBondContact O-N 3.27Å; A385-L387 PolarHBondContact O-N 2.79Å; A385-L387 VanDerWaalsContact O-N 3.1Å; A385-R388 WeakPolarHBondContact O-CB 3.42Å; A385-R388 PolarHBondContact O-N 3.1Å
386	S	98.1	Very high	94.6	Very high	21 Å²	21	55.6 Å²	55.6	15%	0.147	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-63	-14.4	176.2	77	0	0	0	0	115.3	R360 D383 V384	R360-S386 WeakPolarHBondContact CB-OG 3.39Å; R360-S386 PolarHBondContact NH1-O 2.72Å; D383-S386 VanDerWaalsContact CG-CB 3.43Å; D383-S386 WeakPolarHBondContact O-CB 3.29Å; D383-S386 PolarHBondContact O-N 3.38Å; D383-S386 PolarHBondContact O-OG 2.83Å; D383-S386 WeakPolarHBondContact OD1-CB 3.42Å; D383-S386 PolarHBondContact OD1-N 3.02Å; D383-S386 WeakPolarHBondContact OD2-CB 3.48Å; V384-S386 VanDerWaalsContact C-N 3.26Å; V384-S386 PolarHBondContact O-N 2.71Å
387	L	98	Very high	95	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-89.6	-3.5	176.1	-65.3	175.2	0	0	0	113	L363 V384 A385 T389 L392 W394 V404 W406 I412 L414	L363-L387 HydrophobicContact CB-CD2 4.39Å; L363-L387 HydrophobicContact CD1-CD1 4.03Å; L363-L387 HydrophobicContact CD1-CD2 3.92Å; L363-L387 HydrophobicContact CD1-CG 3.96Å; V384-L387 WeakPolarHBondContact O-CB 3.25Å; V384-L387 PolarHBondContact O-N 3.33Å; V384-L387 VanDerWaalsContact O-N 3.09Å; A385-L387 PolarHBondContact O-N 2.79Å; A385-L387 VanDerWaalsContact O-N 3.1Å; L387-T389 VanDerWaalsContact C-N 3.26Å; L387-T389 PolarHBondContact O-N 2.91Å; L387-L392 HydrophobicContact CB-CD1 4.3Å; L387-L392 HydrophobicContact CD2-CD1 3.74Å; L387-W394 HydrophobicContact CB-CZ2 3.65Å; L387-W394 HydrophobicContact CD1-CZ2 4.33Å; L387-W394 PolarHBondContact O-NE1 2.73Å; L387-V404 HydrophobicContact CB-CG1 4.48Å; L387-V404 HydrophobicContact CD1-CG2 4.35Å; L387-V404 HydrophobicContact CD2-CG1 4.26Å; L387-W406 HydrophobicContact CD2-CH2 3.9Å; L387-W406 HydrophobicContact CD2-CZ2 4.18Å; L387-I412 HydrophobicContact CD1-CD1 4.09Å; L387-L414 HydrophobicContact CD1-CD2 4.36Å
388	R	97.2	Very high	95.7	Very high	134 Å²	134	60.3 Å²	60.3	51%	0.506	32%	0.318	S	S	.	.			trans	-90.5	59.1	178.4	-56.7	-61.1	-172.3	175.3	2.3	110.5	A385 W394 E417	A385-R388 WeakPolarHBondContact O-CB 3.42Å; A385-R388 PolarHBondContact O-N 3.1Å; R388-W394 VanDerWaalsContact CZ-CH2 3.43Å; R388-W394 VanDerWaalsContact NH1-CE3 3.32Å; R388-E417 IonicContact NH2-OE1 3.07Å; R388-E417 PolarHBondContact NH2-OE1 3.5Å
389	T	97.9	Very high	95.9	Very high	41 Å²	41	62.7 Å²	62.7	25%	0.252	34%	0.335	S	S	.	.	S	Bend	trans	-120.1	149.8	-178.3	56.5	0	0	0	0	111.2	R360 L387 E391 L392	R360-T389 PolarHBondContact NH1-OG1 3.32Å; R360-T389 VanDerWaalsContact NH1-OG1 3.12Å; L387-T389 VanDerWaalsContact C-N 3.26Å; L387-T389 PolarHBondContact O-N 2.91Å; T389-E391 WeakPolarHBondContact CB-OE1 3.22Å; T389-E391 WeakPolarHBondContact CB-OE2 3.39Å; T389-E391 PolarHBondContact O-N 2.82Å; T389-E391 VanDerWaalsContact O-N 3.16Å; T389-E391 PolarHBondContact OG1-OE1 3.44Å; T389-E391 PolarHBondContact OG1-OE2 3.42Å; T389-E391 VanDerWaalsContact OG1-OE2 3.09Å; T389-L392 PolarHBondContact O-N 3.44Å; T389-L392 VanDerWaalsContact O-N 3.11Å
390	P	97.9	Very high	96.2	Very high	137 Å²	137	61 Å²	61	89%	0.89	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-24.2	-169.9	-23.6	34.6	0	0	0	115.1	L392	P390-L392 VanDerWaalsContact C-N 3.33Å
391	E	98	Very high	96.5	Very high	80 Å²	80	58.4 Å²	58.4	37%	0.374	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-14.7	179.4	78	-72.6	174.4	0	0	113.8	R360 T389 P407	R360-E391 IonicContact CZ-OE1 2.89Å; R360-E391 IonicContact NH1-OE1 3.78Å; R360-E391 PolarHBondContact NH1-OE1 2.99Å; R360-E391 IonicContact NH2-OE1 3.73Å; R360-E391 PolarHBondContact NH2-OE1 3.33Å; T389-E391 WeakPolarHBondContact CB-OE1 3.22Å; T389-E391 WeakPolarHBondContact CB-OE2 3.39Å; T389-E391 PolarHBondContact O-N 2.82Å; T389-E391 VanDerWaalsContact O-N 3.16Å; T389-E391 PolarHBondContact OG1-OE1 3.44Å; T389-E391 PolarHBondContact OG1-OE2 3.42Å; T389-E391 VanDerWaalsContact OG1-OE2 3.09Å; E391-P407 HydrophobicContact CB-CG 4.15Å; E391-P407 HydrophobicContact CG-CG 4.38Å
392	L	98.6	Very high	96.7	Very high	12 Å²	12	58.7 Å²	58.7	6%	0.063	31%	0.311	C	S	.	.			trans	-98.7	128.6	179.8	-62.8	-176.8	0	0	0	110.5	L387 T389 P390 V404 I405 W406	L387-L392 HydrophobicContact CB-CD1 4.3Å; L387-L392 HydrophobicContact CD2-CD1 3.74Å; T389-L392 PolarHBondContact O-N 3.44Å; T389-L392 VanDerWaalsContact O-N 3.11Å; P390-L392 VanDerWaalsContact C-N 3.33Å; L392-V404 HydrophobicContact CB-CG1 4.12Å; L392-V404 HydrophobicContact CD1-CG1 4.05Å; L392-I405 WeakPolarHBondContact CA-O 3.43Å; L392-W406 HydrophobicContact CD2-CB 4.34Å; L392-W406 HydrophobicContact CD2-CD2 3.62Å; L392-W406 HydrophobicContact CD2-CE3 4.16Å; L392-W406 HydrophobicContact CD2-CG 3.71Å; L392-W406 HydrophobicContact CD2-CZ2 4.42Å
393	T	98.6	Very high	96.7	Very high	78 Å²	78	60.1 Å²	60.1	48%	0.479	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	133.6	175.4	-56.4	0	0	0	0	109.9	E395 V404 I405	T393-E395 HydrophobicContact CG2-CG 4.45Å; T393-V404 WeakPolarHBondContact O-CA 3.28Å; T393-I405 PolarHBondContact N-O 3.47Å; T393-I405 PolarHBondContact O-N 2.95Å
394	W	98.5	Very high	96.7	Very high	55 Å²	55	58 Å²	58	21%	0.208	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.1	175.5	-76.5	62.1	0	0	0	110	V384 L387 R388 D402 H403 V404 L414	V384-W394 HydrophobicContact CG1-CH2 3.9Å; V384-W394 HydrophobicContact CG1-CZ2 4.46Å; L387-W394 HydrophobicContact CB-CZ2 3.65Å; L387-W394 HydrophobicContact CD1-CZ2 4.33Å; L387-W394 PolarHBondContact O-NE1 2.73Å; R388-W394 VanDerWaalsContact CZ-CH2 3.43Å; R388-W394 VanDerWaalsContact NH1-CE3 3.32Å; W394-D402 HydrophobicContact CE3-CB 3.8Å; W394-D402 HydrophobicContact CZ3-CB 3.91Å; W394-H403 WeakPolarHBondContact CA-O 3.34Å; W394-V404 HydrophobicContact CD2-CG2 3.75Å; W394-V404 HydrophobicContact CE3-CG2 4.05Å; W394-V404 HydrophobicContact CG-CG2 4.31Å; W394-V404 HydrophobicContact CH2-CG2 4.15Å; W394-V404 HydrophobicContact CZ2-CG2 3.85Å; W394-V404 HydrophobicContact CZ3-CG2 4.24Å; W394-L414 HydrophobicContact CH2-CD2 3.6Å; W394-L414 HydrophobicContact CZ3-CD2 4.02Å
395	E	98.1	Very high	96.8	Very high	95 Å²	95	58.6 Å²	58.6	44%	0.444	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	114.3	174	-63.8	178.7	175.6	0	0	109.1	T393 V397 H403 I405	T393-E395 HydrophobicContact CG2-CG 4.45Å; E395-V397 WeakPolarHBondContact O-CG2 3.44Å; E395-V397 PolarHBondContact O-N 2.96Å; E395-H403 HydrophobicContact CB-CB 4.31Å; E395-H403 PolarHBondContact N-O 3.36Å; E395-H403 PolarHBondContact O-N 3.39Å; E395-I405 VanDerWaalsContact CD-CD1 3.48Å; E395-I405 HydrophobicContact CG-CD1 4.04Å
396	R	97	Very high	96.9	Very high	122 Å²	122	56.2 Å²	56.2	46%	0.46	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	109.7	172.1	177.9	62	59.9	113.4	-10.4	108.5	R398 D402 E417	R396-R398 WeakPolarHBondContact CD-O 3.29Å; R396-D402 WeakPolarHBondContact CA-OD1 3.3Å; R396-D402 IonicContact CZ-OD1 2.75Å; R396-D402 IonicContact CZ-OD2 2.81Å; R396-D402 VanDerWaalsContact NE-CG 3.32Å; R396-D402 IonicContact NE-OD1 2.82Å; R396-D402 PolarHBondContact NE-OD1 2.92Å; R396-D402 IonicContact NE-OD2 3.55Å; R396-D402 PolarHBondContact NE-OD2 3.32Å; R396-D402 IonicContact NH2-OD1 3.73Å; R396-D402 PolarHBondContact NH2-OD1 2.98Å; R396-D402 IonicContact NH2-OD2 3.78Å; R396-D402 PolarHBondContact NH2-OD2 3.19Å; R396-E417 IonicContact NH2-OE1 2.87Å
397	V	95.7	Very high	96.9	Very high	77 Å²	77	60.1 Å²	60.1	47%	0.467	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-34.9	-173.1	-172	0	0	0	0	111.6	E395 V401 H403	E395-V397 WeakPolarHBondContact O-CG2 3.44Å; E395-V397 PolarHBondContact O-N 2.96Å; V397-V401 PolarHBondContact N-O 2.81Å; V397-H403 HydrophobicContact CG2-CB 4.09Å; V397-H403 VanDerWaalsContact CG2-CE1 3.49Å; V397-H403 WeakPolarHBondContact CG2-CE1 3.5Å; V397-H403 VanDerWaalsContact CG2-CG 3.45Å; V397-H403 VanDerWaalsContact CG2-ND1 3.32Å; V397-H403 WeakPolarHBondContact CG2-ND1 3.35Å
398	R	91.8	Very high	96.9	Very high	109 Å²	109	66.3 Å²	66.3	41%	0.411	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	175.6	173.3	63.9	-171.7	-25	175.5	5.2	108.6	R281 T282 D284 R396 Q400 V401	R281-R398 PolarHBondContact O-NH1 3.29Å; T282-R398 WeakPolarHBondContact O-CD 3.06Å; T282-R398 PolarHBondContact O-NH1 2.77Å; D284-R398 IonicContact OD2-CZ 3.8Å; D284-R398 IonicContact OD2-NH1 3.76Å; D284-R398 PolarHBondContact OD2-NH1 3.3Å; D284-R398 IonicContact OD2-NH2 3.57Å; R396-R398 WeakPolarHBondContact CD-O 3.29Å; R398-Q400 PolarHBondContact O-N 2.91Å; R398-V401 HydrophobicContact CG-CB 3.58Å; R398-V401 HydrophobicContact CG-CG1 4.43Å; R398-V401 HydrophobicContact CG-CG2 3.45Å; R398-V401 VanDerWaalsContact CG-CG2 3.45Å; R398-V401 PolarHBondContact O-N 2.88Å
399	S	87.8	Confident	96.9	Very high	97 Å²	97	62 Å²	62	68%	0.678	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	126.5	176.2	-171.7	0	0	0	0	111.3	V401	S399-V401 PolarHBondContact O-N 2.99Å
400	Q	90.3	Very high	96.9	Very high	32 Å²	32	61.2 Å²	61.2	15%	0.15	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	22.7	180	-50.5	-53.9	-44.3	0	0	115.7	R398 A416 C425	R398-Q400 PolarHBondContact O-N 2.91Å; Q400-A416 HydrophobicContact CB-CB 4.4Å; Q400-A416 PolarHBondContact O-N 3.26Å; Q400-C425 VanDerWaalsContact CB-SG 3.53Å
401	V	97.4	Very high	96.9	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.03	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	116.8	175.2	-174.4	0	0	0	0	110.2	T282 V397 R398 S399 V413 L415	T282-V401 HydrophobicContact CG2-CG2 3.76Å; V397-V401 PolarHBondContact N-O 2.81Å; R398-V401 HydrophobicContact CG-CB 3.58Å; R398-V401 HydrophobicContact CG-CG1 4.43Å; R398-V401 HydrophobicContact CG-CG2 3.45Å; R398-V401 VanDerWaalsContact CG-CG2 3.45Å; R398-V401 PolarHBondContact O-N 2.88Å; S399-V401 PolarHBondContact O-N 2.99Å; V401-V413 HydrophobicContact CG1-CG1 3.64Å; V401-L415 HydrophobicContact CB-CD2 4.45Å; V401-L415 HydrophobicContact CG1-CD2 4.01Å; V401-L415 HydrophobicContact CG2-CD2 4.05Å
402	D	98.3	Very high	97	Very high	6 Å²	6	55.1 Å²	55.1	3%	0.032	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131	-179.2	-68.3	-67.4	0	0	0	110.1	W394 R396 L414	W394-D402 HydrophobicContact CE3-CB 3.8Å; W394-D402 HydrophobicContact CZ3-CB 3.91Å; R396-D402 WeakPolarHBondContact CA-OD1 3.3Å; R396-D402 IonicContact CZ-OD1 2.75Å; R396-D402 IonicContact CZ-OD2 2.81Å; R396-D402 VanDerWaalsContact NE-CG 3.32Å; R396-D402 IonicContact NE-OD1 2.82Å; R396-D402 PolarHBondContact NE-OD1 2.92Å; R396-D402 IonicContact NE-OD2 3.55Å; R396-D402 PolarHBondContact NE-OD2 3.32Å; R396-D402 IonicContact NH2-OD1 3.73Å; R396-D402 PolarHBondContact NH2-OD1 2.98Å; R396-D402 IonicContact NH2-OD2 3.78Å; R396-D402 PolarHBondContact NH2-OD2 3.19Å; D402-L414 PolarHBondContact N-O 2.97Å; D402-L414 PolarHBondContact O-N 2.94Å
403	H	98.7	Very high	97	Very high	30 Å²	30	55.2 Å²	55.2	14%	0.139	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	129.6	159.8	-72.8	164.7	0	0	0	109	W394 E395 V397 I405 R411 I412	W394-H403 WeakPolarHBondContact CA-O 3.34Å; E395-H403 HydrophobicContact CB-CB 4.31Å; E395-H403 PolarHBondContact N-O 3.36Å; E395-H403 PolarHBondContact O-N 3.39Å; V397-H403 HydrophobicContact CG2-CB 4.09Å; V397-H403 VanDerWaalsContact CG2-CE1 3.49Å; V397-H403 WeakPolarHBondContact CG2-CE1 3.5Å; V397-H403 VanDerWaalsContact CG2-CG 3.45Å; V397-H403 VanDerWaalsContact CG2-ND1 3.32Å; V397-H403 WeakPolarHBondContact CG2-ND1 3.35Å; H403-I405 HydrophobicContact CB-CG1 4.28Å; H403-R411 PolarHBondContact CE1-NH1 2.95Å; H403-R411 VanDerWaalsContact CE1-NH1 3.31Å; H403-R411 PolarHBondContact ND1-NH1 3.27Å; H403-R411 VanDerWaalsContact ND1-NH1 3.15Å; H403-I412 WeakPolarHBondContact CA-O 3.16Å
404	V	98.7	Very high	97	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.1	167.9	-172.3	0	0	0	0	108.1	L387 L392 T393 W394 W406 R411 I412	L387-V404 HydrophobicContact CB-CG1 4.48Å; L387-V404 HydrophobicContact CD1-CG2 4.35Å; L387-V404 HydrophobicContact CD2-CG1 4.26Å; L392-V404 HydrophobicContact CB-CG1 4.12Å; L392-V404 HydrophobicContact CD1-CG1 4.05Å; T393-V404 WeakPolarHBondContact O-CA 3.28Å; W394-V404 HydrophobicContact CD2-CG2 3.75Å; W394-V404 HydrophobicContact CE3-CG2 4.05Å; W394-V404 HydrophobicContact CG-CG2 4.31Å; W394-V404 HydrophobicContact CH2-CG2 4.15Å; W394-V404 HydrophobicContact CZ2-CG2 3.85Å; W394-V404 HydrophobicContact CZ3-CG2 4.24Å; V404-W406 HydrophobicContact CB-CZ3 4.33Å; V404-W406 HydrophobicContact CG1-CZ3 4.15Å; V404-W406 WeakPolarHBondContact O-CZ3 3.32Å; V404-R411 CarbonylContact O-C 3.58Å; V404-R411 VanDerWaalsContact O-CA 3.29Å; V404-R411 WeakPolarHBondContact O-CA 3.36Å; V404-I412 HydrophobicContact CB-CD1 4.32Å; V404-I412 HydrophobicContact CB-CG1 3.88Å; V404-I412 HydrophobicContact CG2-CG1 4.39Å; V404-I412 PolarHBondContact N-O 3.34Å; V404-I412 PolarHBondContact O-N 3.42Å
405	I	98.8	Very high	96.9	Very high	24 Å²	24	48.9 Å²	48.9	12%	0.123	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.5	-165.8	-52	174.8	0	0	0	109.6	L392 T393 E395 H403 K410 R411	L392-I405 WeakPolarHBondContact CA-O 3.43Å; T393-I405 PolarHBondContact N-O 3.47Å; T393-I405 PolarHBondContact O-N 2.95Å; E395-I405 VanDerWaalsContact CD-CD1 3.48Å; E395-I405 HydrophobicContact CG-CD1 4.04Å; H403-I405 HydrophobicContact CB-CG1 4.28Å; I405-K410 WeakPolarHBondContact CA-O 3.35Å; I405-R411 HydrophobicContact CG1-CB 4.18Å
406	W	98.8	Very high	96.7	Very high	25 Å²	25	44.3 Å²	44.3	10%	0.095	24%	0.235	C	C	.	.			trans	-84.5	161.5	176.2	-84.9	-111.9	0	0	0	111.4	L363 D364 L387 L392 V404 D408 G409 K410 I412	L363-W406 HydrophobicContact CB-CH2 4.27Å; L363-W406 HydrophobicContact CB-CZ2 4.31Å; D364-W406 WeakPolarHBondContact OD1-CZ2 3.45Å; D364-W406 PolarHBondContact OD1-NE1 3.3Å; L387-W406 HydrophobicContact CD2-CH2 3.9Å; L387-W406 HydrophobicContact CD2-CZ2 4.18Å; L392-W406 HydrophobicContact CD2-CB 4.34Å; L392-W406 HydrophobicContact CD2-CD2 3.62Å; L392-W406 HydrophobicContact CD2-CE3 4.16Å; L392-W406 HydrophobicContact CD2-CG 3.71Å; L392-W406 HydrophobicContact CD2-CZ2 4.42Å; V404-W406 HydrophobicContact CB-CZ3 4.33Å; V404-W406 HydrophobicContact CG1-CZ3 4.15Å; V404-W406 WeakPolarHBondContact O-CZ3 3.32Å; W406-D408 VanDerWaalsContact CB-OD1 3.28Å; W406-D408 WeakPolarHBondContact CB-OD1 3.3Å; W406-D408 PolarHBondContact O-N 3.4Å; W406-D408 VanDerWaalsContact O-N 3.11Å; W406-G409 PolarHBondContact O-N 3.01Å; W406-K410 HydrophobicContact CB-CB 4.29Å; W406-K410 VanDerWaalsContact CE2-NZ 3.27Å; W406-K410 PolarHBondContact N-O 3.4Å; W406-I412 HydrophobicContact CH2-CD1 3.93Å; W406-I412 HydrophobicContact CH2-CG1 4.2Å; W406-I412 HydrophobicContact CH2-CG2 4.05Å; W406-I412 HydrophobicContact CZ3-CB 4.34Å; W406-I412 HydrophobicContact CZ3-CD1 4.14Å; W406-I412 HydrophobicContact CZ3-CG1 3.89Å; W406-I412 HydrophobicContact CZ3-CG2 3.78Å
407	P	98.5	Very high	96.6	Very high	104 Å²	104	40.2 Å²	40.2	68%	0.675	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.8	178.9	-27.5	35.7	0	0	0	115.1	E391 G409	E391-P407 HydrophobicContact CB-CG 4.15Å; E391-P407 HydrophobicContact CG-CG 4.38Å; P407-G409 VanDerWaalsContact C-N 3.28Å
408	D	97.4	Very high	96.6	Very high	129 Å²	129	36.5 Å²	36.5	69%	0.69	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-0	177.8	68.6	-7.7	0	0	0	113.6	W406 K410	W406-D408 VanDerWaalsContact CB-OD1 3.28Å; W406-D408 WeakPolarHBondContact CB-OD1 3.3Å; W406-D408 PolarHBondContact O-N 3.4Å; W406-D408 VanDerWaalsContact O-N 3.11Å; D408-K410 VanDerWaalsContact OD1-CB 3.25Å; D408-K410 WeakPolarHBondContact OD1-CB 3.36Å; D408-K410 PolarHBondContact OD1-N 2.93Å
409	G	98.1	Very high	96.4	Very high	45 Å²	45	33.3 Å²	33.3	46%	0.464	19%	0.186	S	C	.	.	S	Bend	trans	88.1	-3.2	-178.9	0	0	0	0	0	114.9	W406 P407 R411	W406-G409 PolarHBondContact O-N 3.01Å; P407-G409 VanDerWaalsContact C-N 3.28Å; G409-R411 PolarHBondContact O-N 2.88Å
410	K	98.5	Very high	96.5	Very high	24 Å²	24	30.6 Å²	30.6	10%	0.104	16%	0.164	C	C	.	.			trans	-59.7	132.5	170.5	-177.4	-160.2	67.7	170.7	0	109.1	L363 D364 M366 N368 I405 W406 D408	L363-K410 PolarHBondContact O-NZ 3.43Å; D364-K410 VanDerWaalsContact C-NZ 3.29Å; D364-K410 VanDerWaalsContact CA-NZ 3.32Å; D364-K410 PolarHBondContact O-NZ 2.71Å; M366-K410 WeakPolarHBondContact O-CD 3.27Å; N368-K410 HydrophobicContact CB-CG 4.4Å; I405-K410 WeakPolarHBondContact CA-O 3.35Å; W406-K410 HydrophobicContact CB-CB 4.29Å; W406-K410 VanDerWaalsContact CE2-NZ 3.27Å; W406-K410 PolarHBondContact N-O 3.4Å; D408-K410 VanDerWaalsContact OD1-CB 3.25Å; D408-K410 WeakPolarHBondContact OD1-CB 3.36Å; D408-K410 PolarHBondContact OD1-N 2.93Å
411	R	98.1	Very high	96.6	Very high	88 Å²	88	29.1 Å²	29.1	33%	0.332	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	149.3	171.3	74	-176.9	65.5	-158.3	-3.9	112.5	N368 S369 H403 V404 I405 G409	N368-R411 CarbonylContact C-O 3.59Å; N368-R411 WeakPolarHBondContact OD1-CG 3.49Å; N368-R411 PolarHBondContact OD1-N 3.45Å; S369-R411 PolarHBondContact N-O 3.45Å; H403-R411 PolarHBondContact CE1-NH1 2.95Å; H403-R411 VanDerWaalsContact CE1-NH1 3.31Å; H403-R411 PolarHBondContact ND1-NH1 3.27Å; H403-R411 VanDerWaalsContact ND1-NH1 3.15Å; V404-R411 CarbonylContact O-C 3.58Å; V404-R411 VanDerWaalsContact O-CA 3.29Å; V404-R411 WeakPolarHBondContact O-CA 3.36Å; I405-R411 HydrophobicContact CG1-CB 4.18Å; G409-R411 PolarHBondContact O-N 2.88Å
412	I	98.6	Very high	96	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	157.3	158.7	71.7	175.3	0	0	0	109.3	L363 M366 C370 L387 H403 V404 W406	L363-I412 HydrophobicContact CD2-CD1 3.71Å; M366-I412 HydrophobicContact CB-CG2 4.34Å; M366-I412 HydrophobicContact SD-CG2 4.26Å; C370-I412 WeakPolarHBondContact O-CA 3.44Å; L387-I412 HydrophobicContact CD1-CD1 4.09Å; H403-I412 WeakPolarHBondContact CA-O 3.16Å; V404-I412 HydrophobicContact CB-CD1 4.32Å; V404-I412 HydrophobicContact CB-CG1 3.88Å; V404-I412 HydrophobicContact CG2-CG1 4.39Å; V404-I412 PolarHBondContact N-O 3.34Å; V404-I412 PolarHBondContact O-N 3.42Å; W406-I412 HydrophobicContact CH2-CD1 3.93Å; W406-I412 HydrophobicContact CH2-CG1 4.2Å; W406-I412 HydrophobicContact CH2-CG2 4.05Å; W406-I412 HydrophobicContact CZ3-CB 4.34Å; W406-I412 HydrophobicContact CZ3-CD1 4.14Å; W406-I412 HydrophobicContact CZ3-CG1 3.89Å; W406-I412 HydrophobicContact CZ3-CG2 3.78Å
413	V	98.8	Very high	95.2	Very high	14 Å²	14	32.5 Å²	32.5	9%	0.085	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	104.2	174.3	-172.4	0	0	0	0	107.8	C370 I371 V372 V401 L415	C370-V413 PolarHBondContact O-N 3.4Å; I371-V413 WeakPolarHBondContact CA-O 3.26Å; I371-V413 HydrophobicContact CG1-CB 3.95Å; I371-V413 HydrophobicContact CG1-CG1 4.47Å; I371-V413 HydrophobicContact CG1-CG2 4.26Å; V372-V413 PolarHBondContact N-O 3.21Å; V401-V413 HydrophobicContact CG1-CG1 3.64Å; V413-L415 HydrophobicContact CG1-CD2 3.93Å
414	L	98.7	Very high	94.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.4	177.6	-178.7	65.1	0	0	0	109.5	V372 I382 V384 L387 W394 D402	V372-L414 HydrophobicContact CB-CD1 4.35Å; I382-L414 HydrophobicContact CD1-CD1 4.42Å; V384-L414 HydrophobicContact CG1-CD2 3.98Å; V384-L414 HydrophobicContact CG2-CD2 4.19Å; L387-L414 HydrophobicContact CD1-CD2 4.36Å; W394-L414 HydrophobicContact CH2-CD2 3.6Å; W394-L414 HydrophobicContact CZ3-CD2 4.02Å; D402-L414 PolarHBondContact N-O 2.97Å; D402-L414 PolarHBondContact O-N 2.94Å
415	L	97.6	Very high	93.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.1	178.6	-49.8	-172.5	0	0	0	110.9	L279 T282 T283 I371 V372 C373 V401 V413 E417 G418 L421	L279-L415 HydrophobicContact CD2-CD1 3.81Å; T282-L415 HydrophobicContact CG2-CD1 4.49Å; T282-L415 HydrophobicContact CG2-CD2 4.36Å; T282-L415 WeakPolarHBondContact OG1-CD1 3.46Å; T283-L415 HydrophobicContact CG2-CD1 4.42Å; T283-L415 HydrophobicContact CG2-CD2 4Å; I371-L415 HydrophobicContact CG2-CD1 3.79Å; I371-L415 HydrophobicContact CG2-CD2 4.47Å; I371-L415 HydrophobicContact CG2-CG 4.04Å; V372-L415 PolarHBondContact O-N 3.5Å; C373-L415 HydrophobicContact CB-CB 3.93Å; C373-L415 HydrophobicContact CB-CD1 3.92Å; C373-L415 HydrophobicContact CB-CG 4.15Å; V401-L415 HydrophobicContact CB-CD2 4.45Å; V401-L415 HydrophobicContact CG1-CD2 4.01Å; V401-L415 HydrophobicContact CG2-CD2 4.05Å; V413-L415 HydrophobicContact CG1-CD2 3.93Å; L415-E417 PolarHBondContact O-N 3.25Å; L415-G418 PolarHBondContact O-N 3.39Å; L415-L421 HydrophobicContact CB-CD1 3.81Å; L415-L421 HydrophobicContact CD1-CD1 3.78Å; L415-L421 HydrophobicContact CD1-CD2 4.18Å; L415-L421 HydrophobicContact CG-CD1 4.45Å
416	A	93.4	Very high	93	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	50.9	27.1	176.1	0	0	0	0	0	114.9	Q400 G418 R419	Q400-A416 HydrophobicContact CB-CB 4.4Å; Q400-A416 PolarHBondContact O-N 3.26Å; A416-G418 PolarHBondContact O-N 2.97Å; A416-G418 VanDerWaalsContact O-N 3.14Å; A416-R419 HydrophobicContact CB-CB 4.42Å; A416-R419 VanDerWaalsContact O-CB 3.3Å; A416-R419 WeakPolarHBondContact O-CB 3.47Å; A416-R419 PolarHBondContact O-N 3.08Å; A416-R419 PolarHBondContact O-NE 2.69Å; A416-R419 PolarHBondContact O-NH2 3.26Å
417	E	94.9	Very high	91.9	Very high	35 Å²	35	36.7 Å²	36.7	16%	0.164	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	49.1	36.2	-172.6	-55.5	-176.1	113.4	0	0	113	R388 R396 L415 R419	R388-E417 IonicContact NH2-OE1 3.07Å; R388-E417 PolarHBondContact NH2-OE1 3.5Å; R396-E417 IonicContact NH2-OE1 2.87Å; L415-E417 PolarHBondContact O-N 3.25Å; E417-R419 VanDerWaalsContact C-N 3.27Å; E417-R419 PolarHBondContact O-N 3.05Å; E417-R419 IonicContact OE2-CZ 3.87Å; E417-R419 VanDerWaalsContact OE2-CZ 3.29Å; E417-R419 IonicContact OE2-NH1 2.67Å; E417-R419 PolarHBondContact OE2-NH1 3.48Å; E417-R419 IonicContact OE2-NH2 3.23Å; E417-R419 PolarHBondContact OE2-NH2 3.31Å
418	G	94.5	Very high	90.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	77.9	0.8	-179.2	0	0	0	0	0	115.6	N374 N379 L415 A416	N374-G418 WeakPolarHBondContact CB-O 3.17Å; N374-G418 PolarHBondContact ND2-O 3.29Å; N379-G418 WeakPolarHBondContact CA-O 3.48Å; L415-G418 PolarHBondContact O-N 3.39Å; A416-G418 PolarHBondContact O-N 2.97Å; A416-G418 VanDerWaalsContact O-N 3.14Å
419	R	88.9	Confident	90.3	Very high	41 Å²	41	28.2 Å²	28.2	16%	0.155	16%	0.162	C	C	.	.	S	Bend	trans	-71.3	173.1	168.7	-65.5	177	-68.9	-94.6	-2.3	111	S378 N379 A416 E417 L421	S378-R419 WeakPolarHBondContact O-CA 3.44Å; N379-R419 HydrophobicContact CB-CG 3.84Å; A416-R419 HydrophobicContact CB-CB 4.42Å; A416-R419 VanDerWaalsContact O-CB 3.3Å; A416-R419 WeakPolarHBondContact O-CB 3.47Å; A416-R419 PolarHBondContact O-N 3.08Å; A416-R419 PolarHBondContact O-NE 2.69Å; A416-R419 PolarHBondContact O-NH2 3.26Å; E417-R419 VanDerWaalsContact C-N 3.27Å; E417-R419 PolarHBondContact O-N 3.05Å; E417-R419 IonicContact OE2-CZ 3.87Å; E417-R419 VanDerWaalsContact OE2-CZ 3.29Å; E417-R419 IonicContact OE2-NH1 2.67Å; E417-R419 PolarHBondContact OE2-NH1 3.48Å; E417-R419 IonicContact OE2-NH2 3.23Å; E417-R419 PolarHBondContact OE2-NH2 3.31Å; R419-L421 PolarHBondContact O-N 2.97Å; R419-L421 VanDerWaalsContact O-N 3.14Å
420	L	89	Confident	90	Very high	41 Å²	41	26.7 Å²	26.7	22%	0.215	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-57.7	115.9	179.7	-78.5	73.2	0	0	0	111	G376 S378 L423 S424	G376-L420 WeakPolarHBondContact O-CD1 3.32Å; G376-L420 WeakPolarHBondContact O-CD2 3.35Å; G376-L420 VanDerWaalsContact O-CG 3.28Å; G376-L420 WeakPolarHBondContact O-CG 3.42Å; S378-L420 WeakPolarHBondContact O-CD1 3.13Å; L420-L423 HydrophobicContact CB-CB 4.16Å; L420-L423 HydrophobicContact CB-CD1 4.01Å; L420-L423 HydrophobicContact CB-CG 4.01Å; L420-L423 HydrophobicContact CD2-CD1 3.6Å; L420-L423 HydrophobicContact CD2-CG 4.11Å; L420-L423 HydrophobicContact CG-CD1 4.39Å; L420-L423 PolarHBondContact O-N 3.49Å; L420-S424 WeakPolarHBondContact O-CB 3.33Å; L420-S424 PolarHBondContact O-N 2.92Å; L420-S424 VanDerWaalsContact O-N 3.13Å; L420-S424 PolarHBondContact O-OG 2.87Å
421	L	92.2	Very high	89.7	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.9	-45.6	-176	176.3	66.8	0	0	0	111.7	I275 L279 T282 C373 N374 M375 L415 R419 L423 S424 C425	I275-L421 HydrophobicContact CD1-CD2 3.92Å; L279-L421 HydrophobicContact CD2-CD2 4.12Å; L279-L421 HydrophobicContact CG-CD2 4.14Å; T282-L421 HydrophobicContact CG2-CD1 4.24Å; C373-L421 HydrophobicContact CB-CB 4.33Å; C373-L421 HydrophobicContact CB-CD2 3.92Å; N374-L421 WeakPolarHBondContact O-CB 3.32Å; N374-L421 PolarHBondContact O-N 3.34Å; M375-L421 HydrophobicContact SD-CB 3.99Å; L415-L421 HydrophobicContact CB-CD1 3.81Å; L415-L421 HydrophobicContact CD1-CD1 3.78Å; L415-L421 HydrophobicContact CD1-CD2 4.18Å; L415-L421 HydrophobicContact CG-CD1 4.45Å; R419-L421 PolarHBondContact O-N 2.97Å; R419-L421 VanDerWaalsContact O-N 3.14Å; L421-L423 VanDerWaalsContact C-N 3.32Å; L421-L423 PolarHBondContact O-N 3.01Å; L421-S424 PolarHBondContact O-N 2.79Å; L421-C425 HydrophobicContact CD1-CB 3.71Å; L421-C425 HydrophobicContact CG-CB 4.47Å; L421-C425 WeakPolarHBondContact O-CA 3.24Å; L421-C425 VanDerWaalsContact O-CB 3.25Å; L421-C425 WeakPolarHBondContact O-CB 3.43Å; L421-C425 PolarHBondContact O-N 3.5Å
422	N	86.3	Confident	89.4	Confident	12 Å²	12	23.7 Å²	23.7	6%	0.064	13%	0.133	C	C	.	.	H	α-helix	trans	-61.1	-40.1	-179.6	59.1	-42.5	0	0	0	112.4	S274 M375 S426	S274-N422 WeakPolarHBondContact OG-CB 3.29Å; M375-N422 HydrophobicContact CE-CB 3.94Å; M375-N422 HydrophobicContact SD-CB 4.02Å; N422-S426 CarbonylContact O-C 3.55Å; N422-S426 WeakPolarHBondContact O-CA 3.33Å; N422-S426 VanDerWaalsContact O-CB 3.26Å; N422-S426 WeakPolarHBondContact O-CB 3.15Å; N422-S426 PolarHBondContact O-N 3.02Å; N422-S426 VanDerWaalsContact O-N 3.09Å
423	L	80.6	Confident	89.1	Confident	70 Å²	70	25.5 Å²	25.5	37%	0.366	14%	0.143	S	C	.	.	H	α-helix	trans	-74	-31.8	179.2	-60.4	-174.9	0	0	0	112.8	L420 L421 V428	L420-L423 HydrophobicContact CB-CB 4.16Å; L420-L423 HydrophobicContact CB-CD1 4.01Å; L420-L423 HydrophobicContact CB-CG 4.01Å; L420-L423 HydrophobicContact CD2-CD1 3.6Å; L420-L423 HydrophobicContact CD2-CG 4.11Å; L420-L423 HydrophobicContact CG-CD1 4.39Å; L420-L423 PolarHBondContact O-N 3.49Å; L421-L423 VanDerWaalsContact C-N 3.32Å; L421-L423 PolarHBondContact O-N 3.01Å; L423-V428 HydrophobicContact CD2-CG2 4.22Å
424	S	80.1	Confident	89	Confident	45 Å²	45	24.9 Å²	24.9	32%	0.315	14%	0.139	S	C	.	.	H	α-helix	trans	-90.7	-28.1	-174.8	-52	0	0	0	0	113	L420 L421	L420-S424 WeakPolarHBondContact O-CB 3.33Å; L420-S424 PolarHBondContact O-N 2.92Å; L420-S424 VanDerWaalsContact O-N 3.13Å; L420-S424 PolarHBondContact O-OG 2.87Å; L421-S424 PolarHBondContact O-N 2.79Å
425	C	84.5	Confident	88.8	Confident	15 Å²	15	24.9 Å²	24.9	10%	0.101	14%	0.139	C	C	.	.	H	α-helix	trans	-134.2	6.2	-165.2	-55.9	0	0	0	0	113.7	R281 T282 Q400 L421	R281-C425 WeakPolarHBondContact CD-O 3.22Å; T282-C425 HydrophobicContact CG2-CB 3.68Å; T282-C425 VanDerWaalsContact CG2-SG 3.54Å; Q400-C425 VanDerWaalsContact CB-SG 3.53Å; L421-C425 HydrophobicContact CD1-CB 3.71Å; L421-C425 HydrophobicContact CG-CB 4.47Å; L421-C425 WeakPolarHBondContact O-CA 3.24Å; L421-C425 VanDerWaalsContact O-CB 3.25Å; L421-C425 WeakPolarHBondContact O-CB 3.43Å; L421-C425 PolarHBondContact O-N 3.5Å
426	S	84.8	Confident	88.7	Confident	18 Å²	18	25.1 Å²	25.1	13%	0.126	14%	0.14	C	C	.	.	S	Bend	trans	-139.9	-170.6	177.4	-173.6	0	0	0	0	109.9	D277 N422	D277-S426 WeakPolarHBondContact CB-OG 3.33Å; D277-S426 WeakPolarHBondContact OD2-CA 3.38Å; D277-S426 VanDerWaalsContact OD2-CB 3.31Å; D277-S426 WeakPolarHBondContact OD2-CB 3.43Å; D277-S426 PolarHBondContact OD2-OG 3.04Å; N422-S426 CarbonylContact O-C 3.55Å; N422-S426 WeakPolarHBondContact O-CA 3.33Å; N422-S426 VanDerWaalsContact O-CB 3.26Å; N422-S426 WeakPolarHBondContact O-CB 3.15Å; N422-S426 PolarHBondContact O-N 3.02Å; N422-S426 VanDerWaalsContact O-N 3.09Å
427	T	76.6	Confident	88.9	Confident	90 Å²	90	25.3 Å²	25.3	55%	0.552	14%	0.142	S	C	*	.			trans	-132.7	123.5	173.5	-55.4	0	0	0	0	107.6
428	V	77.7	Confident	89.1	Confident	19 Å²	19	23.7 Å²	23.7	12%	0.115	13%	0.134	C	C	.	.			trans	-66.7	128.9	173.9	178.8	0	0	0	0	108.2	C270 L423 T430 V432 L433	C270-V428 HydrophobicContact CB-CG1 4.31Å; L423-V428 HydrophobicContact CD2-CG2 4.22Å; V428-T430 PolarHBondContact O-N 3.09Å; V428-V432 HydrophobicContact CG1-CB 4.35Å; V428-V432 HydrophobicContact CG1-CG1 4.45Å; V428-L433 HydrophobicContact CB-CD1 4.15Å; V428-L433 HydrophobicContact CB-CD2 4.38Å; V428-L433 HydrophobicContact CB-CG 4.24Å; V428-L433 HydrophobicContact CG1-CD1 4.18Å; V428-L433 HydrophobicContact CG1-CD2 3.87Å; V428-L433 HydrophobicContact CG1-CG 3.73Å
429	P	85.3	Confident	89.2	Confident	36 Å²	36	23.7 Å²	23.7	23%	0.234	13%	0.134	C	C	.	.			trans	-56.6	131.3	178.6	-25.5	33.7	0	0	0	111.7	E273 F431 V432 L433	E273-P429 VanDerWaalsContact OE2-CG 3.32Å; E273-P429 WeakPolarHBondContact OE2-CG 3.36Å; P429-F431 PolarHBondContact O-N 2.92Å; P429-F431 VanDerWaalsContact O-N 3.11Å; P429-V432 HydrophobicContact CB-CG2 4.41Å; P429-V432 PolarHBondContact O-N 3.36Å; P429-L433 PolarHBondContact O-N 3.24Å
430	T	91.6	Very high	89.7	Confident	12 Å²	12	22 Å²	22	7%	0.074	13%	0.129	C	C	.	.	H	α-helix	trans	-53.5	-36	-177.9	-56.2	0	0	0	0	112.8	A101 E104 M105 Q135 V428 V432 L433 S434	A101-T430 HydrophobicContact CB-CG2 4.45Å; E104-T430 HydrophobicContact CB-CG2 3.42Å; E104-T430 VanDerWaalsContact CB-CG2 3.42Å; E104-T430 WeakPolarHBondContact OE2-CB 3.46Å; E104-T430 PolarHBondContact OE2-OG1 3.4Å; M105-T430 HydrophobicContact CG-CG2 3.34Å; M105-T430 HydrophobicContact SD-CG2 4.08Å; Q135-T430 HydrophobicContact CG-CG2 3.67Å; Q135-T430 PolarHBondContact NE2-OG1 3.43Å; V428-T430 PolarHBondContact O-N 3.09Å; T430-V432 VanDerWaalsContact C-N 3.32Å; T430-V432 PolarHBondContact O-N 3.09Å; T430-L433 CarbonylContact O-C 3.27Å; T430-L433 PolarHBondContact O-N 3.42Å; T430-L433 VanDerWaalsContact O-N 3.16Å; T430-S434 PolarHBondContact O-N 3.41Å
431	F	91.6	Very high	90.1	Very high	40 Å²	40	20.1 Å²	20.1	18%	0.175	12%	0.118	C	C	.	.	H	α-helix	trans	-58.1	-41.3	176.7	179.3	-88.7	0	0	0	112.8	F265 P429 S434 I435 H474 T477 F478	F265-F431 AromaticContact CD1-CE1 3.95Å; F265-F431 HydrophobicContact CD1-CE1 3.95Å; F265-F431 AromaticContact CE1-CE1 3.86Å; F265-F431 HydrophobicContact CE1-CE1 3.86Å; P429-F431 PolarHBondContact O-N 2.92Å; P429-F431 VanDerWaalsContact O-N 3.11Å; F431-S434 VanDerWaalsContact O-CB 3.29Å; F431-S434 WeakPolarHBondContact O-CB 3.11Å; F431-S434 PolarHBondContact O-N 2.86Å; F431-I435 HydrophobicContact CE1-CG1 4.34Å; F431-I435 PolarHBondContact O-N 2.96Å; F431-H474 HydrophobicContact CE2-CB 4.16Å; F431-H474 AromaticContact CE2-CD2 3.74Å; F431-H474 HydrophobicContact CZ-CB 3.91Å; F431-H474 AromaticContact CZ-CD2 3.79Å; F431-T477 HydrophobicContact CD2-CG2 3.92Å; F431-T477 HydrophobicContact CE2-CG2 3.76Å; F431-F478 HydrophobicContact CE1-CE2 4.17Å; F431-F478 AromaticContact CE1-CZ 3.7Å; F431-F478 HydrophobicContact CE1-CZ 3.7Å; F431-F478 AromaticContact CE2-CE2 3.99Å; F431-F478 HydrophobicContact CE2-CE2 3.99Å; F431-F478 AromaticContact CE2-CZ 3.8Å; F431-F478 HydrophobicContact CE2-CZ 3.8Å; F431-F478 HydrophobicContact CZ-CE1 4.44Å; F431-F478 AromaticContact CZ-CE2 3.4Å; F431-F478 HydrophobicContact CZ-CE2 3.4Å; F431-F478 VanDerWaalsContact CZ-CE2 3.4Å; F431-F478 AromaticContact CZ-CZ 3.28Å; F431-F478 HydrophobicContact CZ-CZ 3.28Å
432	V	91.3	Very high	90.4	Very high	9 Å²	9	20.1 Å²	20.1	6%	0.055	12%	0.118	C	C	.	.	H	α-helix	trans	-68.7	-39.3	178.2	176.1	0	0	0	0	110.3	F265 D266 C270 V428 P429 T430 S434 I435 T436	F265-V432 HydrophobicContact CB-CG1 4.25Å; F265-V432 WeakPolarHBondContact O-CG1 3.33Å; D266-V432 HydrophobicContact CB-CG1 4.13Å; C270-V432 HydrophobicContact CB-CB 4.4Å; C270-V432 HydrophobicContact CB-CG1 3.9Å; C270-V432 HydrophobicContact CB-CG2 4.23Å; V428-V432 HydrophobicContact CG1-CB 4.35Å; V428-V432 HydrophobicContact CG1-CG1 4.45Å; P429-V432 HydrophobicContact CB-CG2 4.41Å; P429-V432 PolarHBondContact O-N 3.36Å; T430-V432 VanDerWaalsContact C-N 3.32Å; T430-V432 PolarHBondContact O-N 3.09Å; V432-S434 VanDerWaalsContact C-N 3.27Å; V432-S434 PolarHBondContact O-N 3.37Å; V432-I435 WeakPolarHBondContact O-CB 3.46Å; V432-I435 PolarHBondContact O-N 2.81Å; V432-I435 VanDerWaalsContact O-N 3.14Å; V432-T436 PolarHBondContact O-N 3.04Å
433	L	92.1	Very high	91	Very high	39 Å²	39	19.5 Å²	19.5	20%	0.204	12%	0.115	C	C	.	.	H	α-helix	trans	-65.8	-29.5	174.3	-64.6	173	0	0	0	112.2	Q135 V428 P429 T430 I435 T436 A437	Q135-L433 HydrophobicContact CB-CB 3.91Å; Q135-L433 HydrophobicContact CB-CD1 3.79Å; Q135-L433 HydrophobicContact CB-CG 4.48Å; Q135-L433 HydrophobicContact CG-CB 3.98Å; Q135-L433 HydrophobicContact CG-CD1 3.57Å; Q135-L433 HydrophobicContact CG-CG 4.42Å; V428-L433 HydrophobicContact CB-CD1 4.15Å; V428-L433 HydrophobicContact CB-CD2 4.38Å; V428-L433 HydrophobicContact CB-CG 4.24Å; V428-L433 HydrophobicContact CG1-CD1 4.18Å; V428-L433 HydrophobicContact CG1-CD2 3.87Å; V428-L433 HydrophobicContact CG1-CG 3.73Å; P429-L433 PolarHBondContact O-N 3.24Å; T430-L433 CarbonylContact O-C 3.27Å; T430-L433 PolarHBondContact O-N 3.42Å; T430-L433 VanDerWaalsContact O-N 3.16Å; L433-I435 VanDerWaalsContact C-N 3.32Å; L433-I435 PolarHBondContact O-N 3.26Å; L433-T436 PolarHBondContact O-N 3.24Å; L433-A437 WeakPolarHBondContact O-CB 3.4Å; L433-A437 PolarHBondContact O-N 3.2Å
434	S	96.4	Very high	91.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.7	-40.2	171.4	-177.7	0	0	0	0	112	T430 F431 V432 T438 H474	T430-S434 PolarHBondContact O-N 3.41Å; F431-S434 VanDerWaalsContact O-CB 3.29Å; F431-S434 WeakPolarHBondContact O-CB 3.11Å; F431-S434 PolarHBondContact O-N 2.86Å; V432-S434 VanDerWaalsContact C-N 3.27Å; V432-S434 PolarHBondContact O-N 3.37Å; S434-T438 VanDerWaalsContact O-CB 3.22Å; S434-T438 WeakPolarHBondContact O-CB 3.46Å; S434-T438 PolarHBondContact O-N 3.23Å; S434-T438 PolarHBondContact O-OG1 3.37Å; S434-H474 VanDerWaalsContact C-NE2 3.32Å; S434-H474 WeakPolarHBondContact CB-NE2 3.41Å; S434-H474 PolarHBondContact OG-NE2 2.88Å
435	I	95.6	Very high	92.7	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-62.1	-51.5	176.3	-65.7	-81.3	0	0	0	109.9	F265 F431 V432 L433 T438 T439 V470 H474	F265-I435 HydrophobicContact CB-CG1 4.33Å; F265-I435 HydrophobicContact CB-CG2 4.33Å; F265-I435 HydrophobicContact CD1-CG1 4.32Å; F265-I435 HydrophobicContact CG-CG1 4.2Å; F431-I435 HydrophobicContact CE1-CG1 4.34Å; F431-I435 PolarHBondContact O-N 2.96Å; V432-I435 WeakPolarHBondContact O-CB 3.46Å; V432-I435 PolarHBondContact O-N 2.81Å; V432-I435 VanDerWaalsContact O-N 3.14Å; L433-I435 VanDerWaalsContact C-N 3.32Å; L433-I435 PolarHBondContact O-N 3.26Å; I435-T438 PolarHBondContact O-N 3.42Å; I435-T439 WeakPolarHBondContact O-CB 3.18Å; I435-T439 PolarHBondContact O-N 3.5Å; I435-T439 PolarHBondContact O-OG1 3.16Å; I435-V470 HydrophobicContact CD1-CG1 4.05Å; I435-V470 HydrophobicContact CG2-CG1 4.01Å; I435-H474 HydrophobicContact CD1-CB 4.1Å; I435-H474 VanDerWaalsContact CD1-CD2 3.49Å; I435-H474 WeakPolarHBondContact CD1-CD2 2.89Å; I435-H474 VanDerWaalsContact CD1-CE1 3.46Å; I435-H474 WeakPolarHBondContact CD1-CE1 3.42Å; I435-H474 VanDerWaalsContact CD1-CG 3.42Å; I435-H474 WeakPolarHBondContact CD1-ND1 3.07Å; I435-H474 PolarHBondContact N-NE2 2.74Å
436	T	94.9	Very high	93.4	Very high	4 Å²	4	14.1 Å²	14.1	3%	0.025	8%	0.082	C	C	.	.	H	α-helix	trans	-62.4	-49.6	-179.1	-59.1	0	0	0	0	111.5	E232 K262 V432 L433 T438 T439 Q440	E232-T436 HydrophobicContact CG-CG2 4Å; E232-T436 WeakPolarHBondContact OE1-CG2 3.38Å; K262-T436 HydrophobicContact CG-CG2 4.43Å; V432-T436 PolarHBondContact O-N 3.04Å; L433-T436 PolarHBondContact O-N 3.24Å; T436-T438 VanDerWaalsContact C-N 3.34Å; T436-T438 PolarHBondContact O-N 3.26Å; T436-T439 WeakPolarHBondContact O-CB 3.32Å; T436-T439 PolarHBondContact O-N 3.35Å; T436-T439 VanDerWaalsContact O-N 3.12Å; T436-Q440 HydrophobicContact CG2-CG 4.42Å; T436-Q440 WeakPolarHBondContact O-CG 3.49Å; T436-Q440 PolarHBondContact O-N 3.13Å
437	A	97.8	Very high	94	Very high	5 Å²	5	13.8 Å²	13.8	4%	0.041	8%	0.078	C	C	.	.	H	α-helix	trans	-62.4	-38.9	-179.9	0	0	0	0	0	112.6	M105 L108 L139 L433 Q440 A441	M105-A437 HydrophobicContact CE-CB 3.83Å; L108-A437 HydrophobicContact CD2-CB 3.83Å; L139-A437 HydrophobicContact CB-CB 4.08Å; L139-A437 HydrophobicContact CD1-CB 4.2Å; L139-A437 WeakPolarHBondContact CD1-O 3.25Å; L139-A437 HydrophobicContact CD2-CB 4.24Å; L139-A437 HydrophobicContact CG-CB 4.4Å; L433-A437 WeakPolarHBondContact O-CB 3.4Å; L433-A437 PolarHBondContact O-N 3.2Å; A437-Q440 PolarHBondContact O-N 2.87Å; A437-A441 WeakPolarHBondContact O-CB 3.48Å; A437-A441 PolarHBondContact O-N 2.92Å
438	T	98.3	Very high	95.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-65	-42.9	174.7	-56.3	0	0	0	0	110.8	L111 S434 I435 T436 A441 L442 V470 L473	L111-T438 HydrophobicContact CD2-CG2 4.12Å; S434-T438 VanDerWaalsContact O-CB 3.22Å; S434-T438 WeakPolarHBondContact O-CB 3.46Å; S434-T438 PolarHBondContact O-N 3.23Å; S434-T438 PolarHBondContact O-OG1 3.37Å; I435-T438 PolarHBondContact O-N 3.42Å; T436-T438 VanDerWaalsContact C-N 3.34Å; T436-T438 PolarHBondContact O-N 3.26Å; T438-A441 PolarHBondContact O-N 2.83Å; T438-L442 HydrophobicContact CG2-CD1 4.13Å; T438-L442 VanDerWaalsContact O-CG 3.31Å; T438-L442 WeakPolarHBondContact O-CG 3.22Å; T438-L442 PolarHBondContact O-N 3.44Å; T438-V470 HydrophobicContact CG2-CG1 4.46Å; T438-V470 HydrophobicContact CG2-CG2 4.08Å; T438-L473 HydrophobicContact CG2-CD1 3.78Å
439	T	98.1	Very high	96	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.5	-46.3	175.8	-53.9	0	0	0	0	111.3	V256 I435 T436 L442 A443 L462	V256-T439 HydrophobicContact CB-CG2 3.8Å; V256-T439 HydrophobicContact CG1-CG2 3.94Å; I435-T439 WeakPolarHBondContact O-CB 3.18Å; I435-T439 PolarHBondContact O-N 3.5Å; I435-T439 PolarHBondContact O-OG1 3.16Å; T436-T439 WeakPolarHBondContact O-CB 3.32Å; T436-T439 PolarHBondContact O-N 3.35Å; T436-T439 VanDerWaalsContact O-N 3.12Å; T439-L442 PolarHBondContact O-N 3.07Å; T439-A443 WeakPolarHBondContact O-CB 3.41Å; T439-A443 PolarHBondContact O-N 3.34Å; T439-L462 HydrophobicContact CG2-CD2 3.71Å
440	Q	98.5	Very high	96.5	Very high	7 Å²	7	13.8 Å²	13.8	3%	0.033	7%	0.074	C	C	.	.	H	α-helix	trans	-63.4	-46	177.6	-71.5	169.8	-33.7	0	0	112.3	L139 L205 V230 E232 V256 T436 A437 L442 A443 L444	L139-Q440 VanDerWaalsContact CD2-OE1 3.25Å; L205-Q440 HydrophobicContact CD1-CB 3.91Å; L205-Q440 HydrophobicContact CD1-CG 3.81Å; L205-Q440 HydrophobicContact CD2-CB 4.41Å; V230-Q440 HydrophobicContact CG1-CG 4.45Å; E232-Q440 PolarHBondContact OE2-NE2 2.83Å; V256-Q440 HydrophobicContact CG2-CG 4.14Å; T436-Q440 HydrophobicContact CG2-CG 4.42Å; T436-Q440 WeakPolarHBondContact O-CG 3.49Å; T436-Q440 PolarHBondContact O-N 3.13Å; A437-Q440 PolarHBondContact O-N 2.87Å; Q440-L442 VanDerWaalsContact C-N 3.32Å; Q440-L442 PolarHBondContact O-N 2.83Å; Q440-A443 PolarHBondContact O-N 3.19Å; Q440-L444 WeakPolarHBondContact O-CG 3.26Å; Q440-L444 PolarHBondContact O-N 2.71Å
441	A	98.6	Very high	96.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.5	-43.3	177.3	0	0	0	0	0	111.6	L108 L111 L139 L143 A437 T438 L444 I445	L108-A441 HydrophobicContact CD1-CB 4.43Å; L111-A441 HydrophobicContact CD2-CB 3.8Å; L139-A441 HydrophobicContact CD1-CB 4.1Å; L143-A441 HydrophobicContact CD2-CB 4.24Å; A437-A441 WeakPolarHBondContact O-CB 3.48Å; A437-A441 PolarHBondContact O-N 2.92Å; T438-A441 PolarHBondContact O-N 2.83Å; A441-L444 PolarHBondContact O-N 3.39Å; A441-I445 WeakPolarHBondContact O-CD1 3.49Å; A441-I445 VanDerWaalsContact O-CG1 3.22Å; A441-I445 WeakPolarHBondContact O-CG1 3.44Å; A441-I445 PolarHBondContact O-N 3.14Å
442	L	98.4	Very high	96.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.8	-40.2	176.8	-69.8	170.1	0	0	0	112.5	W18 L111 T438 T439 Q440 L444 I445 E446 M466 Y469 V470	W18-L442 HydrophobicContact CH2-CD2 3.77Å; W18-L442 HydrophobicContact CZ3-CD2 4.39Å; L111-L442 HydrophobicContact CD1-CD2 4.05Å; L111-L442 HydrophobicContact CD2-CD2 4.35Å; L111-L442 HydrophobicContact CD2-CG 4.3Å; T438-L442 HydrophobicContact CG2-CD1 4.13Å; T438-L442 VanDerWaalsContact O-CG 3.31Å; T438-L442 WeakPolarHBondContact O-CG 3.22Å; T438-L442 PolarHBondContact O-N 3.44Å; T439-L442 PolarHBondContact O-N 3.07Å; Q440-L442 VanDerWaalsContact C-N 3.32Å; Q440-L442 PolarHBondContact O-N 2.83Å; L442-L444 VanDerWaalsContact C-N 3.33Å; L442-L444 PolarHBondContact O-N 3.12Å; L442-I445 PolarHBondContact O-N 3.44Å; L442-E446 VanDerWaalsContact O-CB 3.3Å; L442-E446 WeakPolarHBondContact O-CB 3.23Å; L442-E446 PolarHBondContact O-N 2.97Å; L442-M466 HydrophobicContact CB-SD 4.27Å; L442-M466 HydrophobicContact CD1-CB 4.5Å; L442-Y469 HydrophobicContact CD1-CD1 3.96Å; L442-Y469 HydrophobicContact CD2-CD1 4.17Å; L442-Y469 HydrophobicContact CD2-CE1 4.39Å; L442-V470 HydrophobicContact CD1-CG2 3.52Å
443	A	98.5	Very high	96.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.8	-39.8	175.6	0	0	0	0	0	112.3	V230 M254 V256 T439 Q440 E446 L447 L462	V230-A443 HydrophobicContact CB-CB 4.39Å; V230-A443 HydrophobicContact CG1-CB 3.73Å; V230-A443 HydrophobicContact CG2-CB 3.68Å; M254-A443 HydrophobicContact CB-CB 4.49Å; M254-A443 HydrophobicContact CG-CB 4.31Å; M254-A443 HydrophobicContact SD-CB 3.72Å; V256-A443 HydrophobicContact CG1-CB 3.48Å; V256-A443 VanDerWaalsContact CG1-CB 3.48Å; T439-A443 WeakPolarHBondContact O-CB 3.41Å; T439-A443 PolarHBondContact O-N 3.34Å; Q440-A443 PolarHBondContact O-N 3.19Å; A443-E446 PolarHBondContact O-N 3.24Å; A443-L447 PolarHBondContact O-N 3.27Å; A443-L462 HydrophobicContact CB-CD1 3.97Å
444	L	98.8	Very high	97.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-46.4	174.8	-74.3	166.1	0	0	0	111.4	I126 L143 M203 L205 V230 Q440 A441 L442 E446 Y448	I126-L444 HydrophobicContact CD1-CD1 4.18Å; L143-L444 HydrophobicContact CD1-CD1 3.86Å; L143-L444 HydrophobicContact CD2-CD1 3.69Å; L143-L444 HydrophobicContact CG-CD1 4.45Å; M203-L444 HydrophobicContact CB-CD2 4.34Å; M203-L444 HydrophobicContact CE-CD2 3.8Å; L205-L444 HydrophobicContact CB-CD1 4.44Å; L205-L444 HydrophobicContact CD2-CD1 4.29Å; V230-L444 HydrophobicContact CB-CD2 4.39Å; V230-L444 HydrophobicContact CG2-CD2 3.82Å; V230-L444 HydrophobicContact CG2-CG 3.92Å; Q440-L444 WeakPolarHBondContact O-CG 3.26Å; Q440-L444 PolarHBondContact O-N 2.71Å; A441-L444 PolarHBondContact O-N 3.39Å; L442-L444 VanDerWaalsContact C-N 3.33Å; L442-L444 PolarHBondContact O-N 3.12Å; L444-E446 VanDerWaalsContact C-N 3.29Å; L444-E446 PolarHBondContact O-N 2.67Å; L444-Y448 WeakPolarHBondContact O-CB 3.46Å; L444-Y448 PolarHBondContact O-N 3.29Å
445	I	98.4	Very high	97.1	Very high	4 Å²	4	30 Å²	30	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-58.2	-45	175	-69.7	163.3	0	0	0	110	W18 P120 L121 L146 A441 L442 N449	W18-I445 HydrophobicContact CH2-CD1 4.41Å; W18-I445 HydrophobicContact CZ2-CD1 4.38Å; W18-I445 HydrophobicContact CZ2-CG2 4.33Å; P120-I445 HydrophobicContact CB-CG2 4.23Å; P120-I445 HydrophobicContact CG-CD1 4.29Å; P120-I445 HydrophobicContact CG-CG1 4.26Å; L121-I445 HydrophobicContact CD1-CG1 4.24Å; L121-I445 HydrophobicContact CD2-CG1 4.01Å; L121-I445 HydrophobicContact CG-CG1 4Å; L146-I445 HydrophobicContact CD1-CD1 3.83Å; L146-I445 HydrophobicContact CD1-CG1 4.49Å; A441-I445 WeakPolarHBondContact O-CD1 3.49Å; A441-I445 VanDerWaalsContact O-CG1 3.22Å; A441-I445 WeakPolarHBondContact O-CG1 3.44Å; A441-I445 PolarHBondContact O-N 3.14Å; L442-I445 PolarHBondContact O-N 3.44Å; I445-N449 WeakPolarHBondContact O-CB 3.29Å; I445-N449 PolarHBondContact O-N 3.43Å; I445-N449 PolarHBondContact O-ND2 3.17Å
446	E	97.9	Very high	97.1	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.056	19%	0.192	C	C	.	.	H	α-helix	trans	-63.1	-54.4	-178.1	178.8	58.1	179.6	0	0	112.2	M254 L442 A443 L444 Y448 N449 A450 R454 Y455 P463 M466	M254-E446 HydrophobicContact CE-CB 4.32Å; M254-E446 HydrophobicContact CE-CG 3.81Å; M254-E446 HydrophobicContact SD-CG 4.41Å; L442-E446 VanDerWaalsContact O-CB 3.3Å; L442-E446 WeakPolarHBondContact O-CB 3.23Å; L442-E446 PolarHBondContact O-N 2.97Å; A443-E446 PolarHBondContact O-N 3.24Å; L444-E446 VanDerWaalsContact C-N 3.29Å; L444-E446 PolarHBondContact O-N 2.67Å; E446-Y448 VanDerWaalsContact C-N 3.29Å; E446-Y448 PolarHBondContact O-N 2.89Å; E446-N449 PolarHBondContact O-N 3.19Å; E446-A450 VanDerWaalsContact O-CB 3.24Å; E446-A450 WeakPolarHBondContact O-CB 3.34Å; E446-A450 PolarHBondContact O-N 2.97Å; E446-R454 IonicContact OE1-CZ 3.03Å; E446-R454 IonicContact OE1-NE 2.64Å; E446-R454 IonicContact OE1-NH1 2.76Å; E446-R454 PolarHBondContact OE1-NH1 3.47Å; E446-R454 IonicContact OE1-NH2 3.83Å; E446-R454 PolarHBondContact OE1-NH2 3.43Å; E446-R454 IonicContact OE2-NH1 2.8Å; E446-Y455 HydrophobicContact CG-CE2 3.79Å; E446-Y455 WeakPolarHBondContact CG-OH 3.16Å; E446-Y455 PolarHBondContact OE1-OH 3.24Å; E446-P463 HydrophobicContact CG-CG 4.19Å; E446-M466 HydrophobicContact CB-CE 3.67Å; E446-M466 HydrophobicContact CB-SD 3.78Å; E446-M466 HydrophobicContact CG-CE 3.99Å; E446-M466 HydrophobicContact CG-SD 4.13Å; E446-M466 WeakPolarHBondContact OE2-CE 3.1Å
447	L	98.3	Very high	97.2	Very high	10 Å²	10	42.6 Å²	42.6	5%	0.052	22%	0.219	C	C	.	.	H	α-helix	trans	-61.7	-39.2	179.8	-77.3	172.7	0	0	0	112	M203 I229 V230 P252 M254 A443 Y455	M203-L447 HydrophobicContact CE-CB 3.66Å; M203-L447 HydrophobicContact CE-CD1 4.19Å; I229-L447 WeakPolarHBondContact O-CD1 3.27Å; V230-L447 HydrophobicContact CG2-CD1 3.72Å; P252-L447 HydrophobicContact CB-CD2 4.14Å; P252-L447 HydrophobicContact CG-CD2 4.31Å; M254-L447 HydrophobicContact CB-CD1 3.88Å; M254-L447 HydrophobicContact CB-CG 4.34Å; M254-L447 HydrophobicContact CE-CD1 4.31Å; M254-L447 HydrophobicContact CE-CD2 3.57Å; M254-L447 HydrophobicContact CE-CG 3.53Å; M254-L447 HydrophobicContact SD-CG 4.47Å; A443-L447 PolarHBondContact O-N 3.27Å; L447-Y455 HydrophobicContact CD2-CD2 3.95Å; L447-Y455 HydrophobicContact CD2-CE2 4.45Å; L447-Y455 HydrophobicContact CD2-CG 4.11Å
448	Y	98.4	Very high	97.2	Very high	36 Å²	36	45.5 Å²	45.5	14%	0.141	23%	0.234	C	C	.	.	H	α-helix	trans	-70.4	-36.8	-176.3	-174.6	-104.9	0	0	0	113	P120 L121 A122 G123 A124 M203 K227 L444 E446	P120-Y448 WeakPolarHBondContact O-CD1 3.4Å; L121-Y448 HydrophobicContact CD2-CD1 4.23Å; L121-Y448 HydrophobicContact CD2-CG 4.28Å; A122-Y448 WeakPolarHBondContact O-CE1 3.45Å; A122-Y448 PolarHBondContact O-OH 2.9Å; G123-Y448 WeakPolarHBondContact CA-OH 3.49Å; A124-Y448 HydrophobicContact CB-CD1 4.48Å; A124-Y448 HydrophobicContact CB-CD2 3.9Å; A124-Y448 HydrophobicContact CB-CE1 4.39Å; A124-Y448 HydrophobicContact CB-CE2 3.82Å; A124-Y448 HydrophobicContact CB-CG 4.24Å; A124-Y448 PolarHBondContact N-OH 3.33Å; M203-Y448 HydrophobicContact CG-CD2 4.13Å; M203-Y448 HydrophobicContact SD-CD2 4.24Å; K227-Y448 HydrophobicContact CD-CD2 3.99Å; K227-Y448 HydrophobicContact CD-CE2 4.08Å; L444-Y448 WeakPolarHBondContact O-CB 3.46Å; L444-Y448 PolarHBondContact O-N 3.29Å; E446-Y448 VanDerWaalsContact C-N 3.29Å; E446-Y448 PolarHBondContact O-N 2.89Å
449	N	97.4	Very high	97.2	Very high	85 Å²	85	46.1 Å²	46.1	46%	0.455	24%	0.237	S	C	.	.	H	α-helix	trans	-99.7	-3.1	-176.2	-65	-72.8	0	0	0	114	P120 I445 E446	P120-N449 PolarHBondContact O-ND2 3.02Å; P120-N449 PolarHBondContact O-OD1 2.79Å; I445-N449 WeakPolarHBondContact O-CB 3.29Å; I445-N449 PolarHBondContact O-N 3.43Å; I445-N449 PolarHBondContact O-ND2 3.17Å; E446-N449 PolarHBondContact O-N 3.19Å
450	A	96.3	Very high	97.2	Very high	25 Å²	25	48.8 Å²	48.8	21%	0.207	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-60	138.7	179.5	0	0	0	0	0	111.7	E446 R454 Y455	E446-A450 VanDerWaalsContact O-CB 3.24Å; E446-A450 WeakPolarHBondContact O-CB 3.34Å; E446-A450 PolarHBondContact O-N 2.97Å; A450-R454 HydrophobicContact CB-CB 4.49Å; A450-Y455 HydrophobicContact CB-CD2 3.51Å; A450-Y455 HydrophobicContact CB-CE2 3.72Å
451	P	95.3	Very high	97.1	Very high	85 Å²	85	52.7 Å²	52.7	55%	0.552	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-63.3	148.5	172.2	26.8	-33.1	0	0	0	110.4	G453 R454	P451-G453 PolarHBondContact O-N 3.35Å; P451-R454 HydrophobicContact CG-CB 4.18Å; P451-R454 VanDerWaalsContact O-CB 3.29Å; P451-R454 WeakPolarHBondContact O-CB 3.47Å; P451-R454 PolarHBondContact O-N 3.33Å
452	E	92.8	Very high	96.9	Very high	205 Å²	205	53.1 Å²	53.1	96%	0.958	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	137.1	179.9	-170.4	178.1	172.4	0	0	111.2	R454	E452-R454 VanDerWaalsContact C-N 3.29Å; E452-R454 PolarHBondContact O-N 3.3Å
453	G	94.2	Very high	96.7	Very high	44 Å²	44	54.2 Å²	54.2	45%	0.454	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	-10.8	179.1	0	0	0	0	0	115.4	P451	P451-G453 PolarHBondContact O-N 3.35Å
454	R	95.6	Very high	96.5	Very high	71 Å²	71	55.4 Å²	55.4	27%	0.268	28%	0.283	S	S	.	.	S	Bend	trans	-66.2	-47.1	174.8	-177	171	-176.1	-155.2	-16.7	112.4	F13 E446 A450 P451 E452	F13-R454 VanDerWaalsContact CD2-NH2 3.3Å; E446-R454 IonicContact OE1-CZ 3.03Å; E446-R454 IonicContact OE1-NE 2.64Å; E446-R454 IonicContact OE1-NH1 2.76Å; E446-R454 PolarHBondContact OE1-NH1 3.47Å; E446-R454 IonicContact OE1-NH2 3.83Å; E446-R454 PolarHBondContact OE1-NH2 3.43Å; E446-R454 IonicContact OE2-NH1 2.8Å; A450-R454 HydrophobicContact CB-CB 4.49Å; P451-R454 HydrophobicContact CG-CB 4.18Å; P451-R454 VanDerWaalsContact O-CB 3.29Å; P451-R454 WeakPolarHBondContact O-CB 3.47Å; P451-R454 PolarHBondContact O-N 3.33Å; E452-R454 VanDerWaalsContact C-N 3.29Å; E452-R454 PolarHBondContact O-N 3.3Å
455	Y	97.6	Very high	96.3	Very high	34 Å²	34	57.3 Å²	57.3	13%	0.133	29%	0.291	C	S	.	.	S	Bend	trans	-112.7	122.5	173.7	-61.6	-65.2	0	0	0	108.8	M254 E446 L447 A450 Y460 P463	M254-Y455 HydrophobicContact CE-CE1 3.96Å; M254-Y455 HydrophobicContact CE-CE2 3.99Å; E446-Y455 HydrophobicContact CG-CE2 3.79Å; E446-Y455 WeakPolarHBondContact CG-OH 3.16Å; E446-Y455 PolarHBondContact OE1-OH 3.24Å; L447-Y455 HydrophobicContact CD2-CD2 3.95Å; L447-Y455 HydrophobicContact CD2-CE2 4.45Å; L447-Y455 HydrophobicContact CD2-CG 4.11Å; A450-Y455 HydrophobicContact CB-CD2 3.51Å; A450-Y455 HydrophobicContact CB-CE2 3.72Å; Y455-Y460 AromaticContact CD1-CD1 3.7Å; Y455-Y460 HydrophobicContact CD1-CD1 3.7Å; Y455-Y460 AromaticContact CD1-CD2 3.58Å; Y455-Y460 HydrophobicContact CD1-CD2 3.58Å; Y455-Y460 HydrophobicContact CD1-CE1 4.05Å; Y455-Y460 AromaticContact CD1-CE2 3.93Å; Y455-Y460 HydrophobicContact CD1-CE2 3.93Å; Y455-Y460 AromaticContact CD1-CG 3.46Å; Y455-Y460 HydrophobicContact CD1-CG 3.46Å; Y455-Y460 VanDerWaalsContact CD1-CG 3.46Å; Y455-Y460 HydrophobicContact CE1-CD1 4.02Å; Y455-Y460 HydrophobicContact CE1-CD2 4.37Å; Y455-Y460 AromaticContact CE1-CG 3.84Å; Y455-Y460 HydrophobicContact CE1-CG 3.84Å; Y455-Y460 HydrophobicContact CG-CD2 4.38Å; Y455-P463 WeakPolarHBondContact OH-CG 3.24Å
456	K	95.9	Very high	96.1	Very high	143 Å²	143	57.2 Å²	57.2	62%	0.622	29%	0.291	S	S	*	.			trans	-107.5	-146.3	-178	-58.6	-178.4	-178.8	175	0	109.4	P252 D458 Y460	P252-K456 WeakPolarHBondContact CA-O 3.45Å; P252-K456 WeakPolarHBondContact CB-O 3.3Å; K456-D458 VanDerWaalsContact C-N 3.31Å; K456-D458 PolarHBondContact O-N 3.04Å; K456-D458 VanDerWaalsContact O-N 3.16Å; K456-Y460 WeakPolarHBondContact CB-OH 3.36Å; K456-Y460 PolarHBondContact N-OH 3.26Å
457	Q	95.9	Very high	96	Very high	128 Å²	128	57 Å²	57	60%	0.598	29%	0.29	S	S	*	.	S	Bend	trans	-92.3	59.9	-173.7	-66.6	-177.1	-9.7	0	0	111.1	L249 C250	L249-Q457 WeakPolarHBondContact O-CB 3.41Å; C250-Q457 PolarHBondContact O-NE2 3.18Å
458	D	97.9	Very high	95.9	Very high	66 Å²	66	58.4 Å²	58.4	35%	0.353	30%	0.296	S	S	.	.	S	Bend	trans	-150.4	175.6	-178	-153	-2.3	0	0	0	112.6	S244 A253 K456 Y460	S244-D458 WeakPolarHBondContact CB-OD1 3.43Å; S244-D458 PolarHBondContact OG-OD1 3.02Å; A253-D458 PolarHBondContact N-O 3.41Å; K456-D458 VanDerWaalsContact C-N 3.31Å; K456-D458 PolarHBondContact O-N 3.04Å; K456-D458 VanDerWaalsContact O-N 3.16Å; D458-Y460 HydrophobicContact CB-CE2 3.98Å; D458-Y460 VanDerWaalsContact O-CD2 3.3Å; D458-Y460 WeakPolarHBondContact O-CD2 3.4Å; D458-Y460 VanDerWaalsContact O-CE2 3.32Å; D458-Y460 WeakPolarHBondContact O-CE2 3.49Å
459	V	98.2	Very high	95.8	Very high	12 Å²	12	57.4 Å²	57.4	7%	0.073	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	118.4	175.6	-172.8	0	0	0	0	109.4	L240 Y241 L249 A253 N255	L240-V459 HydrophobicContact CB-CG2 3.77Å; Y241-V459 HydrophobicContact CD1-CB 3.91Å; Y241-V459 HydrophobicContact CD1-CG1 4.34Å; Y241-V459 HydrophobicContact CD1-CG2 3.95Å; Y241-V459 HydrophobicContact CE1-CB 3.62Å; Y241-V459 HydrophobicContact CE1-CG1 3.84Å; Y241-V459 HydrophobicContact CE1-CG2 4.19Å; Y241-V459 HydrophobicContact CE2-CG1 4.38Å; Y241-V459 HydrophobicContact CG-CG2 4.44Å; L249-V459 HydrophobicContact CD2-CG2 3.85Å; A253-V459 HydrophobicContact CB-CG2 4.45Å; A253-V459 CarbonylContact O-C 3.58Å; A253-V459 WeakPolarHBondContact O-CA 3.31Å; N255-V459 HydrophobicContact CB-CG1 3.87Å
460	Y	97.6	Very high	95.7	Very high	56 Å²	56	53.4 Å²	53.4	22%	0.22	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	153.4	-177.7	-61.3	-88.5	0	0	0	111.3	P252 A253 M254 N255 Y455 K456 D458	P252-Y460 HydrophobicContact CB-CD2 4.45Å; P252-Y460 HydrophobicContact CB-CE2 4.26Å; A253-Y460 PolarHBondContact O-N 3.36Å; M254-Y460 CarbonylContact C-O 3Å; M254-Y460 WeakPolarHBondContact CA-O 3.37Å; N255-Y460 PolarHBondContact N-O 3.05Å; Y455-Y460 AromaticContact CD1-CD1 3.7Å; Y455-Y460 HydrophobicContact CD1-CD1 3.7Å; Y455-Y460 AromaticContact CD1-CD2 3.58Å; Y455-Y460 HydrophobicContact CD1-CD2 3.58Å; Y455-Y460 HydrophobicContact CD1-CE1 4.05Å; Y455-Y460 AromaticContact CD1-CE2 3.93Å; Y455-Y460 HydrophobicContact CD1-CE2 3.93Å; Y455-Y460 AromaticContact CD1-CG 3.46Å; Y455-Y460 HydrophobicContact CD1-CG 3.46Å; Y455-Y460 VanDerWaalsContact CD1-CG 3.46Å; Y455-Y460 HydrophobicContact CE1-CD1 4.02Å; Y455-Y460 HydrophobicContact CE1-CD2 4.37Å; Y455-Y460 AromaticContact CE1-CG 3.84Å; Y455-Y460 HydrophobicContact CE1-CG 3.84Å; Y455-Y460 HydrophobicContact CG-CD2 4.38Å; K456-Y460 WeakPolarHBondContact CB-OH 3.36Å; K456-Y460 PolarHBondContact N-OH 3.26Å; D458-Y460 HydrophobicContact CB-CE2 3.98Å; D458-Y460 VanDerWaalsContact O-CD2 3.3Å; D458-Y460 WeakPolarHBondContact O-CD2 3.4Å; D458-Y460 VanDerWaalsContact O-CE2 3.32Å; D458-Y460 WeakPolarHBondContact O-CE2 3.49Å
461	L	96.1	Very high	95.7	Very high	90 Å²	90	54 Å²	54	47%	0.471	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	152.6	165.7	-64.4	176.5	0	0	0	110.3	N255 D258	N255-L461 HydrophobicContact CB-CD2 4.4Å; D258-L461 HydrophobicContact CB-CD2 3.83Å
462	L	95.1	Very high	95.7	Very high	8 Å²	8	50.7 Å²	50.7	4%	0.042	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-57.1	134.1	167.3	-174.1	70.8	0	0	0	109.6	M254 T439 A443 K464 M466 D467	M254-L462 HydrophobicContact SD-CB 4.41Å; M254-L462 HydrophobicContact SD-CD1 3.7Å; T439-L462 HydrophobicContact CG2-CD2 3.71Å; A443-L462 HydrophobicContact CB-CD1 3.97Å; L462-K464 PolarHBondContact O-N 3.37Å; L462-M466 HydrophobicContact CD1-CB 4.01Å; L462-M466 HydrophobicContact CD1-SD 3.77Å; L462-M466 HydrophobicContact CD2-CB 3.95Å; L462-M466 HydrophobicContact CG-CB 3.84Å; L462-D467 HydrophobicContact CD2-CB 4.47Å
463	P	95.1	Very high	95.8	Very high	24 Å²	24	41.3 Å²	41.3	16%	0.156	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-53.7	134.7	176.5	-27.6	36.1	0	0	0	111.7	E446 Y455 K465 M466 D467	E446-P463 HydrophobicContact CG-CG 4.19Å; Y455-P463 WeakPolarHBondContact OH-CG 3.24Å; P463-K465 PolarHBondContact O-N 3.39Å; P463-K465 VanDerWaalsContact O-N 3.08Å; P463-M466 HydrophobicContact CB-CG 4.39Å; P463-M466 HydrophobicContact CG-SD 4.38Å; P463-M466 WeakPolarHBondContact O-CA 3.27Å; P463-M466 WeakPolarHBondContact O-CB 3.41Å; P463-M466 PolarHBondContact O-N 2.89Å; P463-D467 PolarHBondContact O-N 3.24Å
464	K	93.9	Very high	95.9	Very high	24 Å²	24	39.4 Å²	39.4	10%	0.104	19%	0.19	C	C	.	.	H	α-helix	trans	-54.2	-36.8	-173.8	-164.7	66.8	169.5	-176.2	0	113.7	V260 L462 M466 D467 E468 P500	V260-K464 HydrophobicContact CG2-CD 4.44Å; L462-K464 PolarHBondContact O-N 3.37Å; K464-M466 VanDerWaalsContact C-N 3.31Å; K464-M466 PolarHBondContact O-N 2.69Å; K464-D467 WeakPolarHBondContact O-CB 3.11Å; K464-D467 PolarHBondContact O-N 3.31Å; K464-E468 WeakPolarHBondContact O-CG 3.4Å; K464-E468 PolarHBondContact O-N 3.08Å; K464-P500 HydrophobicContact CB-CB 3.97Å; K464-P500 HydrophobicContact CG-CB 4.05Å
465	K	93.5	Very high	95.9	Very high	42 Å²	42	38.3 Å²	38.3	18%	0.183	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-38.2	174.1	-86.8	-166.1	169.7	-169.4	0	113.5	F13 M15 P463 Y469 N498 G499 P500	F13-K465 HydrophobicContact CD1-CD 4.11Å; F13-K465 HydrophobicContact CE1-CD 4.37Å; M15-K465 HydrophobicContact SD-CD 3.93Å; M15-K465 PolarHBondContact SD-NZ 3.18Å; P463-K465 PolarHBondContact O-N 3.39Å; P463-K465 VanDerWaalsContact O-N 3.08Å; K465-Y469 WeakPolarHBondContact O-CB 3.32Å; K465-Y469 PolarHBondContact O-N 3.27Å; K465-N498 WeakPolarHBondContact CE-O 3.05Å; K465-G499 WeakPolarHBondContact CE-O 3.5Å; K465-G499 PolarHBondContact NZ-O 3.42Å; K465-P500 HydrophobicContact CG-CB 4.19Å
466	M	95.3	Very high	95.8	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-70.9	-37.2	177.9	-68	-170.2	169.7	0	0	111	F13 M19 L442 E446 L462 P463 K464 Y469 V470	F13-M466 HydrophobicContact CE2-CE 3.97Å; F13-M466 HydrophobicContact CZ-CE 3.59Å; F13-M466 HydrophobicContact CZ-CG 4.39Å; M19-M466 HydrophobicContact CE-CE 3.88Å; L442-M466 HydrophobicContact CB-SD 4.27Å; L442-M466 HydrophobicContact CD1-CB 4.5Å; E446-M466 HydrophobicContact CB-CE 3.67Å; E446-M466 HydrophobicContact CB-SD 3.78Å; E446-M466 HydrophobicContact CG-CE 3.99Å; E446-M466 HydrophobicContact CG-SD 4.13Å; E446-M466 WeakPolarHBondContact OE2-CE 3.1Å; L462-M466 HydrophobicContact CD1-CB 4.01Å; L462-M466 HydrophobicContact CD1-SD 3.77Å; L462-M466 HydrophobicContact CD2-CB 3.95Å; L462-M466 HydrophobicContact CG-CB 3.84Å; P463-M466 HydrophobicContact CB-CG 4.39Å; P463-M466 HydrophobicContact CG-SD 4.38Å; P463-M466 WeakPolarHBondContact O-CA 3.27Å; P463-M466 WeakPolarHBondContact O-CB 3.41Å; P463-M466 PolarHBondContact O-N 2.89Å; K464-M466 VanDerWaalsContact C-N 3.31Å; K464-M466 PolarHBondContact O-N 2.69Å; M466-Y469 WeakPolarHBondContact O-CB 3.36Å; M466-Y469 PolarHBondContact O-N 2.67Å; M466-V470 WeakPolarHBondContact O-CG2 3.37Å; M466-V470 PolarHBondContact O-N 2.79Å
467	D	94.7	Very high	95.6	Very high	7 Å²	7	37 Å²	37	4%	0.037	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-43.1	174	-148.1	-22.9	0	0	0	111.8	S259 V260 T261 L462 P463 K464 Y469 V470 A471	S259-D467 WeakPolarHBondContact CA-OD2 3.38Å; S259-D467 WeakPolarHBondContact CB-OD2 3.33Å; V260-D467 WeakPolarHBondContact CB-OD2 3.44Å; V260-D467 HydrophobicContact CG2-CB 4.33Å; V260-D467 VanDerWaalsContact CG2-CG 3.49Å; V260-D467 WeakPolarHBondContact CG2-OD2 3.36Å; V260-D467 PolarHBondContact N-OD1 3.08Å; V260-D467 PolarHBondContact N-OD2 3.09Å; T261-D467 WeakPolarHBondContact CB-OD1 3.33Å; T261-D467 WeakPolarHBondContact CG2-O 3.5Å; T261-D467 VanDerWaalsContact CG2-OD1 3.27Å; T261-D467 WeakPolarHBondContact CG2-OD1 3.38Å; T261-D467 PolarHBondContact N-OD1 2.93Å; T261-D467 VanDerWaalsContact N-OD1 3.12Å; T261-D467 PolarHBondContact OG1-OD1 3.26Å; L462-D467 HydrophobicContact CD2-CB 4.47Å; P463-D467 PolarHBondContact O-N 3.24Å; K464-D467 WeakPolarHBondContact O-CB 3.11Å; K464-D467 PolarHBondContact O-N 3.31Å; D467-Y469 VanDerWaalsContact C-N 3.28Å; D467-Y469 PolarHBondContact O-N 3.42Å; D467-V470 WeakPolarHBondContact O-CB 3.43Å; D467-V470 PolarHBondContact O-N 2.73Å; D467-A471 PolarHBondContact O-N 2.83Å
468	E	96.4	Very high	95.5	Very high	40 Å²	40	36.6 Å²	36.6	19%	0.187	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-36.4	171.6	-71.3	169.9	173.3	0	0	111.9	K464 A471 S472 P500 F501	K464-E468 WeakPolarHBondContact O-CG 3.4Å; K464-E468 PolarHBondContact O-N 3.08Å; E468-A471 PolarHBondContact O-N 3.1Å; E468-S472 WeakPolarHBondContact O-CB 3.48Å; E468-S472 PolarHBondContact O-N 3.27Å; E468-P500 WeakPolarHBondContact OE2-CA 3.24Å; E468-F501 HydrophobicContact CG-CD2 4.45Å; E468-F501 PolarHBondContact OE1-N 3.04Å
469	Y	95.9	Very high	95.4	Very high	16 Å²	16	39.9 Å²	39.9	6%	0.063	21%	0.213	C	C	.	.	H	α-helix	trans	-67.4	-38.7	176.1	-172.4	-114.8	0	0	0	112.3	W18 M19 F22 L111 R114 L442 K465 M466 D467 A471 S472 L473	W18-Y469 AromaticContact CZ3-CE1 3.7Å; W18-Y469 HydrophobicContact CZ3-CE1 3.7Å; M19-Y469 HydrophobicContact CG-CE1 4.29Å; F22-Y469 HydrophobicContact CD2-CE2 4.31Å; L111-Y469 HydrophobicContact CD1-CE1 4.41Å; R114-Y469 VanDerWaalsContact CD-OH 3.32Å; R114-Y469 WeakPolarHBondContact CD-OH 3.29Å; L442-Y469 HydrophobicContact CD1-CD1 3.96Å; L442-Y469 HydrophobicContact CD2-CD1 4.17Å; L442-Y469 HydrophobicContact CD2-CE1 4.39Å; K465-Y469 WeakPolarHBondContact O-CB 3.32Å; K465-Y469 PolarHBondContact O-N 3.27Å; M466-Y469 WeakPolarHBondContact O-CB 3.36Å; M466-Y469 PolarHBondContact O-N 2.67Å; D467-Y469 VanDerWaalsContact C-N 3.28Å; D467-Y469 PolarHBondContact O-N 3.42Å; Y469-A471 VanDerWaalsContact C-N 3.34Å; Y469-A471 PolarHBondContact O-N 2.98Å; Y469-S472 PolarHBondContact O-N 2.92Å; Y469-L473 HydrophobicContact CD1-CD1 3.92Å; Y469-L473 HydrophobicContact CD1-CG 4.36Å; Y469-L473 HydrophobicContact CE1-CD1 3.53Å; Y469-L473 HydrophobicContact CE1-CD2 4.32Å; Y469-L473 HydrophobicContact CE1-CG 4.01Å; Y469-L473 HydrophobicContact CE2-CD2 4.3Å; Y469-L473 HydrophobicContact CE2-CG 4.31Å; Y469-L473 WeakPolarHBondContact O-CG 3.17Å; Y469-L473 PolarHBondContact O-N 2.87Å
470	V	96	Very high	95.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-55.1	-52.2	170.4	174.3	0	0	0	0	109.7	T261 I435 T438 L442 M466 D467 S472 L473 H474	T261-V470 HydrophobicContact CG2-CB 4.23Å; T261-V470 HydrophobicContact CG2-CG1 4.1Å; I435-V470 HydrophobicContact CD1-CG1 4.05Å; I435-V470 HydrophobicContact CG2-CG1 4.01Å; T438-V470 HydrophobicContact CG2-CG1 4.46Å; T438-V470 HydrophobicContact CG2-CG2 4.08Å; L442-V470 HydrophobicContact CD1-CG2 3.52Å; M466-V470 WeakPolarHBondContact O-CG2 3.37Å; M466-V470 PolarHBondContact O-N 2.79Å; D467-V470 WeakPolarHBondContact O-CB 3.43Å; D467-V470 PolarHBondContact O-N 2.73Å; V470-S472 PolarHBondContact O-N 2.84Å; V470-L473 PolarHBondContact O-N 3.17Å; V470-H474 PolarHBondContact O-ND1 3.47Å
471	A	95.9	Very high	95.2	Very high	38 Å²	38	47 Å²	47	31%	0.314	25%	0.254	S	S	.	.	H	α-helix	trans	-59.3	-46.7	179.2	0	0	0	0	0	111.8	T261 D467 E468 Y469 L473 H474 L475	T261-A471 HydrophobicContact CG2-CB 3.88Å; D467-A471 PolarHBondContact O-N 2.83Å; E468-A471 PolarHBondContact O-N 3.1Å; Y469-A471 VanDerWaalsContact C-N 3.34Å; Y469-A471 PolarHBondContact O-N 2.98Å; A471-L473 VanDerWaalsContact C-N 3.32Å; A471-L473 PolarHBondContact O-N 3.42Å; A471-H474 PolarHBondContact O-N 3.23Å; A471-L475 PolarHBondContact O-N 3.31Å
472	S	96.2	Very high	95.2	Very high	15 Å²	15	48.5 Å²	48.5	11%	0.105	26%	0.262	C	S	.	.	H	α-helix	trans	-56.7	-41.8	179.3	175.6	0	0	0	0	113	F22 E468 Y469 V470 H474 L475	F22-S472 WeakPolarHBondContact CE1-OG 3.03Å; F22-S472 WeakPolarHBondContact CE2-OG 3.49Å; F22-S472 WeakPolarHBondContact CZ-OG 3.41Å; E468-S472 WeakPolarHBondContact O-CB 3.48Å; E468-S472 PolarHBondContact O-N 3.27Å; Y469-S472 PolarHBondContact O-N 2.92Å; V470-S472 PolarHBondContact O-N 2.84Å; S472-H474 PolarHBondContact O-N 2.98Å; S472-L475 PolarHBondContact O-N 3.19Å
473	L	95.4	Very high	95.3	Very high	9 Å²	9	54.3 Å²	54.3	5%	0.047	30%	0.298	C	S	.	.	H	α-helix	trans	-64.3	-22.8	177.6	-73.1	173.4	0	0	0	113.6	A107 A110 L111 T438 Y469 V470 A471	A107-L473 HydrophobicContact CB-CB 3.74Å; A107-L473 WeakPolarHBondContact CB-O 3.42Å; A110-L473 HydrophobicContact CB-CD2 4.12Å; L111-L473 HydrophobicContact CB-CD1 4.18Å; T438-L473 HydrophobicContact CG2-CD1 3.78Å; Y469-L473 HydrophobicContact CD1-CD1 3.92Å; Y469-L473 HydrophobicContact CD1-CG 4.36Å; Y469-L473 HydrophobicContact CE1-CD1 3.53Å; Y469-L473 HydrophobicContact CE1-CD2 4.32Å; Y469-L473 HydrophobicContact CE1-CG 4.01Å; Y469-L473 HydrophobicContact CE2-CD2 4.3Å; Y469-L473 HydrophobicContact CE2-CG 4.31Å; Y469-L473 WeakPolarHBondContact O-CG 3.17Å; Y469-L473 PolarHBondContact O-N 2.87Å; V470-L473 PolarHBondContact O-N 3.17Å; A471-L473 VanDerWaalsContact C-N 3.32Å; A471-L473 PolarHBondContact O-N 3.42Å
474	H	96.1	Very high	95.4	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.019	32%	0.323	C	S	.	.	H	α-helix	trans	-97	-15	-178.3	-67.6	78.5	0	0	0	113.8	A107 F431 S434 I435 V470 A471 S472 P476 T477	A107-H474 HydrophobicContact CB-CB 4.49Å; A107-H474 WeakPolarHBondContact CB-CE1 3.33Å; A107-H474 VanDerWaalsContact CB-ND1 3.27Å; A107-H474 WeakPolarHBondContact CB-ND1 3.21Å; A107-H474 WeakPolarHBondContact CB-NE2 3.47Å; F431-H474 HydrophobicContact CE2-CB 4.16Å; F431-H474 AromaticContact CE2-CD2 3.74Å; F431-H474 HydrophobicContact CZ-CB 3.91Å; F431-H474 AromaticContact CZ-CD2 3.79Å; S434-H474 VanDerWaalsContact C-NE2 3.32Å; S434-H474 WeakPolarHBondContact CB-NE2 3.41Å; S434-H474 PolarHBondContact OG-NE2 2.88Å; I435-H474 HydrophobicContact CD1-CB 4.1Å; I435-H474 VanDerWaalsContact CD1-CD2 3.49Å; I435-H474 WeakPolarHBondContact CD1-CD2 2.89Å; I435-H474 VanDerWaalsContact CD1-CE1 3.46Å; I435-H474 WeakPolarHBondContact CD1-CE1 3.42Å; I435-H474 VanDerWaalsContact CD1-CG 3.42Å; I435-H474 WeakPolarHBondContact CD1-ND1 3.07Å; I435-H474 PolarHBondContact N-NE2 2.74Å; V470-H474 PolarHBondContact O-ND1 3.47Å; A471-H474 PolarHBondContact O-N 3.23Å; S472-H474 PolarHBondContact O-N 2.98Å; H474-P476 VanDerWaalsContact C-N 3.34Å; H474-T477 WeakPolarHBondContact O-CB 3.21Å; H474-T477 PolarHBondContact O-N 3.06Å; H474-T477 VanDerWaalsContact O-N 3.13Å; H474-T477 PolarHBondContact O-OG1 2.87Å
475	L	95.9	Very high	95.4	Very high	47 Å²	47	61 Å²	61	25%	0.246	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-55.8	-36.9	178.6	-68.6	-177.7	0	0	0	114.7	A471 S472 T477 F478 A480 L482	A471-L475 PolarHBondContact O-N 3.31Å; S472-L475 PolarHBondContact O-N 3.19Å; L475-T477 PolarHBondContact O-N 3.48Å; L475-F478 PolarHBondContact O-N 3.42Å; L475-A480 HydrophobicContact CB-CB 4.13Å; L475-A480 HydrophobicContact CD2-CB 4.04Å; L475-A480 PolarHBondContact O-N 3.01Å; L475-L482 HydrophobicContact CD1-CB 3.98Å; L475-L482 HydrophobicContact CD1-CD1 4.17Å; L475-L482 HydrophobicContact CD1-CD2 4.05Å; L475-L482 HydrophobicContact CD1-CG 4.3Å
476	P	94.9	Very high	95.6	Very high	84 Å²	84	62.4 Å²	62.4	55%	0.545	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-59.5	-26.4	177.4	-26.6	36.5	0	0	0	114.2	H474 F478 D479	H474-P476 VanDerWaalsContact C-N 3.34Å; P476-F478 PolarHBondContact O-N 2.95Å; P476-D479 PolarHBondContact O-N 3.19Å
477	T	91.8	Very high	95.7	Very high	65 Å²	65	67 Å²	67	40%	0.399	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-62.9	-23.3	176.7	-54.3	0	0	0	0	112.6	P106 F431 H474 L475	P106-T477 WeakPolarHBondContact CG-OG1 3.3Å; F431-T477 HydrophobicContact CD2-CG2 3.92Å; F431-T477 HydrophobicContact CE2-CG2 3.76Å; H474-T477 WeakPolarHBondContact O-CB 3.21Å; H474-T477 PolarHBondContact O-N 3.06Å; H474-T477 VanDerWaalsContact O-N 3.13Å; H474-T477 PolarHBondContact O-OG1 2.87Å; L475-T477 PolarHBondContact O-N 3.48Å
478	F	93.1	Very high	95.9	Very high	120 Å²	120	74.3 Å²	74.3	53%	0.526	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-107.9	10	-178.1	-54	-66.9	0	0	0	113.1	F431 L475 P476 A480	F431-F478 HydrophobicContact CE1-CE2 4.17Å; F431-F478 AromaticContact CE1-CZ 3.7Å; F431-F478 HydrophobicContact CE1-CZ 3.7Å; F431-F478 AromaticContact CE2-CE2 3.99Å; F431-F478 HydrophobicContact CE2-CE2 3.99Å; F431-F478 AromaticContact CE2-CZ 3.8Å; F431-F478 HydrophobicContact CE2-CZ 3.8Å; F431-F478 HydrophobicContact CZ-CE1 4.44Å; F431-F478 AromaticContact CZ-CE2 3.4Å; F431-F478 HydrophobicContact CZ-CE2 3.4Å; F431-F478 VanDerWaalsContact CZ-CE2 3.4Å; F431-F478 AromaticContact CZ-CZ 3.28Å; F431-F478 HydrophobicContact CZ-CZ 3.28Å; L475-F478 PolarHBondContact O-N 3.42Å; P476-F478 PolarHBondContact O-N 2.95Å; F478-A480 HydrophobicContact CB-CB 4.29Å; F478-A480 PolarHBondContact O-N 3.17Å; F478-A480 VanDerWaalsContact O-N 3.08Å
479	D	95.1	Very high	96	Very high	135 Å²	135	76.6 Å²	76.6	72%	0.722	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	33.1	-169.5	-61.9	-43.3	0	0	0	112.2	P476	P476-D479 PolarHBondContact O-N 3.19Å
480	A	95.9	Very high	96.1	Very high	43 Å²	43	76.2 Å²	76.2	36%	0.355	41%	0.41	S	S	.	.			trans	-80.3	131.2	-175.7	0	0	0	0	0	110.8	L475 F478	L475-A480 HydrophobicContact CB-CB 4.13Å; L475-A480 HydrophobicContact CD2-CB 4.04Å; L475-A480 PolarHBondContact O-N 3.01Å; F478-A480 HydrophobicContact CB-CB 4.29Å; F478-A480 PolarHBondContact O-N 3.17Å; F478-A480 VanDerWaalsContact O-N 3.08Å
481	H	96.3	Very high	96.2	Very high	176 Å²	176	84.3 Å²	84.3	82%	0.815	45%	0.445	S	S	*	.			trans	-105.8	102.7	179	-57	148.1	0	0	0	110.3
482	L	96.8	Very high	96.3	Very high	120 Å²	120	92.1 Å²	92.1	63%	0.628	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-75.6	128.8	-178.2	-167.1	64.9	0	0	0	110.8	L475	L475-L482 HydrophobicContact CD1-CB 3.98Å; L475-L482 HydrophobicContact CD1-CD1 4.17Å; L475-L482 HydrophobicContact CD1-CD2 4.05Å; L475-L482 HydrophobicContact CD1-CG 4.3Å
483	T	97.3	Very high	96.3	Very high	131 Å²	131	95.9 Å²	95.9	80%	0.804	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-73.6	133	175.5	-56.9	0	0	0	0	111.1
484	E	97.1	Very high	96.4	Very high	146 Å²	146	98.7 Å²	98.7	68%	0.682	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-92.9	141.9	172.1	-64.2	-176.7	174.1	0	0	111.7
485	L	94.2	Very high	96.3	Very high	41 Å²	41	101.3 Å²	101.3	22%	0.215	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-71.3	135.9	173	-66.7	172.3	0	0	0	110.5	Q489 A490 L493 K497 F501	L485-Q489 HydrophobicContact CB-CB 4.31Å; L485-Q489 HydrophobicContact CD2-CB 3.93Å; L485-A490 HydrophobicContact CB-CB 4.42Å; L485-L493 HydrophobicContact CD1-CD1 4.44Å; L485-L493 HydrophobicContact CD2-CD1 4.24Å; L485-K497 VanDerWaalsContact O-CE 3.24Å; L485-K497 WeakPolarHBondContact O-CE 3.49Å; L485-F501 HydrophobicContact CD1-CE1 4.39Å
486	T	97.5	Very high	96.4	Very high	72 Å²	72	103.6 Å²	103.6	44%	0.442	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-67.3	162.3	164.3	73.3	0	0	0	0	110.5	E488 Q489 A490	T486-E488 PolarHBondContact O-N 2.96Å; T486-Q489 PolarHBondContact O-N 2.92Å; T486-Q489 WeakPolarHBondContact OG1-CG 3.36Å; T486-Q489 PolarHBondContact OG1-N 2.92Å; T486-A490 PolarHBondContact O-N 3.21Å
487	D	98	Very high	96.3	Very high	99 Å²	99	103.2 Å²	103.2	53%	0.529	53%	0.534	S	S	.	.	H	α-helix	trans	-58.6	-35.4	176.3	-70.1	-64.9	0	0	0	112.5	K491 K497	D487-K491 WeakPolarHBondContact O-CB 2.81Å; D487-K491 VanDerWaalsContact O-CG 3.27Å; D487-K491 WeakPolarHBondContact O-CG 3.34Å; D487-K491 PolarHBondContact O-N 3.14Å; D487-K491 VanDerWaalsContact O-N 3.11Å; D487-K497 VanDerWaalsContact N-CE 3.29Å; D487-K497 WeakPolarHBondContact OD1-CE 3.41Å; D487-K497 IonicContact OD1-NZ 3.85Å; D487-K497 PolarHBondContact OD1-NZ 3.43Å; D487-K497 IonicContact OD2-NZ 3.88Å; D487-K497 PolarHBondContact OD2-NZ 3.46Å
488	E	98.3	Very high	96.4	Very high	159 Å²	159	103.8 Å²	103.8	74%	0.743	53%	0.534	S	S	*	.	H	α-helix	trans	-69.3	-43.4	178.3	-171.1	173.7	-166.9	0	0	111.6	T486 K491 Y492	T486-E488 PolarHBondContact O-N 2.96Å; E488-K491 PolarHBondContact O-N 3.27Å; E488-Y492 WeakPolarHBondContact O-CB 3.42Å; E488-Y492 PolarHBondContact O-N 3.27Å
489	Q	98.2	Very high	96.4	Very high	88 Å²	88	98.1 Å²	98.1	41%	0.411	51%	0.51	S	S	.	.	H	α-helix	trans	-63.5	-43	176.4	-70.7	170.1	-24.1	0	0	112	L485 T486 Y492 L493	L485-Q489 HydrophobicContact CB-CB 4.31Å; L485-Q489 HydrophobicContact CD2-CB 3.93Å; T486-Q489 PolarHBondContact O-N 2.92Å; T486-Q489 WeakPolarHBondContact OG1-CG 3.36Å; T486-Q489 PolarHBondContact OG1-N 2.92Å; Q489-Y492 PolarHBondContact O-N 2.97Å; Q489-L493 WeakPolarHBondContact O-CG 3.37Å; Q489-L493 PolarHBondContact O-N 2.97Å
490	A	98	Very high	96.5	Very high	8 Å²	8	94.5 Å²	94.5	7%	0.066	49%	0.493	C	S	.	.	H	α-helix	trans	-61.3	-45.4	177.8	0	0	0	0	0	111.6	L485 T486 L493 G494 L495 K497	L485-A490 HydrophobicContact CB-CB 4.42Å; T486-A490 PolarHBondContact O-N 3.21Å; A490-L493 PolarHBondContact O-N 3.11Å; A490-G494 PolarHBondContact O-N 3.49Å; A490-L495 WeakPolarHBondContact CB-O 3.28Å; A490-L495 PolarHBondContact O-N 3.02Å; A490-K497 HydrophobicContact CB-CG 3.83Å
491	K	97.7	Very high	96.5	Very high	170 Å²	170	95.9 Å²	95.9	74%	0.739	49%	0.492	S	S	*	.	H	α-helix	trans	-62	-43.8	174.3	-73.7	172.3	-175.1	176.1	0	112.2	D487 E488 L493 G494	D487-K491 WeakPolarHBondContact O-CB 2.81Å; D487-K491 VanDerWaalsContact O-CG 3.27Å; D487-K491 WeakPolarHBondContact O-CG 3.34Å; D487-K491 PolarHBondContact O-N 3.14Å; D487-K491 VanDerWaalsContact O-N 3.11Å; E488-K491 PolarHBondContact O-N 3.27Å; K491-L493 VanDerWaalsContact C-N 3.34Å; K491-L493 PolarHBondContact O-N 3.4Å; K491-G494 PolarHBondContact O-N 3.03Å
492	Y	97.6	Very high	96.5	Very high	202 Å²	202	91.7 Å²	91.7	79%	0.792	47%	0.471	S	S	*	.	H	α-helix	trans	-60.7	-42.2	179.2	178.3	-99.7	0	0	0	112.3	E488 Q489 G494	E488-Y492 WeakPolarHBondContact O-CB 3.42Å; E488-Y492 PolarHBondContact O-N 3.27Å; Q489-Y492 PolarHBondContact O-N 2.97Å; Y492-G494 VanDerWaalsContact C-N 3.34Å
493	L	97.1	Very high	96.3	Very high	95 Å²	95	88.6 Å²	88.6	50%	0.497	46%	0.458	S	S	.	.	H	α-helix	trans	-80.9	-12.2	179	-64.9	176.5	0	0	0	113.7	L485 Q489 A490 K491 L495	L485-L493 HydrophobicContact CD1-CD1 4.44Å; L485-L493 HydrophobicContact CD2-CD1 4.24Å; Q489-L493 WeakPolarHBondContact O-CG 3.37Å; Q489-L493 PolarHBondContact O-N 2.97Å; A490-L493 PolarHBondContact O-N 3.11Å; K491-L493 VanDerWaalsContact C-N 3.34Å; K491-L493 PolarHBondContact O-N 3.4Å; L493-L495 VanDerWaalsContact C-N 3.28Å; L493-L495 HydrophobicContact CB-CB 4.36Å; L493-L495 HydrophobicContact CB-CD1 3.98Å; L493-L495 HydrophobicContact CB-CG 3.97Å; L493-L495 HydrophobicContact CD1-CD1 4.2Å; L493-L495 PolarHBondContact O-N 3.22Å
494	G	96.7	Very high	95.8	Very high	67 Å²	67	88.6 Å²	88.6	69%	0.691	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	31.6	-171.9	0	0	0	0	0	112.9	A490 K491 Y492	A490-G494 PolarHBondContact O-N 3.49Å; K491-G494 PolarHBondContact O-N 3.03Å; Y492-G494 VanDerWaalsContact C-N 3.34Å
495	L	95.9	Very high	95.4	Very high	60 Å²	60	91 Å²	91	31%	0.314	46%	0.458	S	S	.	.			trans	-114.4	151.8	-178.5	-64	176.5	0	0	0	110.8	A490 L493	A490-L495 WeakPolarHBondContact CB-O 3.28Å; A490-L495 PolarHBondContact O-N 3.02Å; L493-L495 VanDerWaalsContact C-N 3.28Å; L493-L495 HydrophobicContact CB-CB 4.36Å; L493-L495 HydrophobicContact CB-CD1 3.98Å; L493-L495 HydrophobicContact CB-CG 3.97Å; L493-L495 HydrophobicContact CD1-CD1 4.2Å; L493-L495 PolarHBondContact O-N 3.22Å
496	N	96	Very high	95.3	Very high	94 Å²	94	93.4 Å²	93.4	50%	0.503	46%	0.464	S	S	.	.			trans	-74.2	142.4	165.1	-173	-51.2	0	0	0	109.2	N498 G499	N496-N498 PolarHBondContact O-N 2.99Å; N496-N498 VanDerWaalsContact O-N 3.14Å; N496-N498 PolarHBondContact OD1-N 2.77Å; N496-G499 WeakPolarHBondContact CB-O 2.93Å; N496-G499 PolarHBondContact O-N 2.81Å
497	K	94.2	Very high	94.7	Very high	76 Å²	76	100.7 Å²	100.7	33%	0.33	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-32.2	176.4	-78.9	-171.9	171.3	178.7	0	113.5	L485 D487 A490 F501	L485-K497 VanDerWaalsContact O-CE 3.24Å; L485-K497 WeakPolarHBondContact O-CE 3.49Å; D487-K497 VanDerWaalsContact N-CE 3.29Å; D487-K497 WeakPolarHBondContact OD1-CE 3.41Å; D487-K497 IonicContact OD1-NZ 3.85Å; D487-K497 PolarHBondContact OD1-NZ 3.43Å; D487-K497 IonicContact OD2-NZ 3.88Å; D487-K497 PolarHBondContact OD2-NZ 3.46Å; A490-K497 HydrophobicContact CB-CG 3.83Å; K497-F501 VanDerWaalsContact O-CE1 3.28Å; K497-F501 WeakPolarHBondContact O-CE1 3.35Å; K497-F501 WeakPolarHBondContact O-CZ 3.27Å
498	N	93.1	Very high	93.4	Very high	77 Å²	77	100.8 Å²	100.8	41%	0.412	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	22.9	-177.6	-57.1	-13.4	0	0	0	111.9	K465 N496	K465-N498 WeakPolarHBondContact CE-O 3.05Å; N496-N498 PolarHBondContact O-N 2.99Å; N496-N498 VanDerWaalsContact O-N 3.14Å; N496-N498 PolarHBondContact OD1-N 2.77Å
499	G	94.3	Very high	93.1	Very high	1 Å²	1	97.9 Å²	97.9	1%	0.01	46%	0.464	C	S	.	.	S	Bend	trans	75.5	-170.9	176.7	0	0	0	0	0	115.3	K465 N496	K465-G499 WeakPolarHBondContact CE-O 3.5Å; K465-G499 PolarHBondContact NZ-O 3.42Å; N496-G499 WeakPolarHBondContact CB-O 2.93Å; N496-G499 PolarHBondContact O-N 2.81Å
500	P	95.9	Very high	92.8	Very high	59 Å²	59	98.4 Å²	98.4	38%	0.383	47%	0.467	S	S	.	.			cis	-65.6	141.5	-0.3	29.8	-34.4	0	0	0	111.8	K464 K465 E468	K464-P500 HydrophobicContact CB-CB 3.97Å; K464-P500 HydrophobicContact CG-CB 4.05Å; K465-P500 HydrophobicContact CG-CB 4.19Å; E468-P500 WeakPolarHBondContact OE2-CA 3.24Å
501	F	96.3	Very high	92.6	Very high	73 Å²	73	103.4 Å²	103.4	32%	0.32	49%	0.489	S	S	.	.			trans	-88.3	-11.7	-172.9	-59.7	-65	0	0	0	113.9	E468 L485 K497	E468-F501 HydrophobicContact CG-CD2 4.45Å; E468-F501 PolarHBondContact OE1-N 3.04Å; L485-F501 HydrophobicContact CD1-CE1 4.39Å; K497-F501 VanDerWaalsContact O-CE1 3.28Å; K497-F501 WeakPolarHBondContact O-CE1 3.35Å; K497-F501 WeakPolarHBondContact O-CZ 3.27Å
502	K	96.4	Very high	92.3	Very high	87 Å²	87	99.5 Å²	99.5	38%	0.378	47%	0.474	S	S	.	.	S	Bend	trans	-139.8	145.7	179.8	-62.5	-68.4	174.9	-65.5	0	109.9	Y506	K502-Y506 HydrophobicContact CB-CD1 3.52Å; K502-Y506 HydrophobicContact CB-CE1 4.18Å; K502-Y506 HydrophobicContact CB-CG 3.82Å; K502-Y506 HydrophobicContact CD-CD1 3.77Å; K502-Y506 HydrophobicContact CD-CD2 4.07Å; K502-Y506 HydrophobicContact CD-CE1 3.68Å; K502-Y506 HydrophobicContact CD-CE2 4.03Å; K502-Y506 HydrophobicContact CD-CG 3.96Å; K502-Y506 HydrophobicContact CG-CD1 3.46Å; K502-Y506 VanDerWaalsContact CG-CD1 3.46Å; K502-Y506 HydrophobicContact CG-CE1 3.57Å; K502-Y506 HydrophobicContact CG-CG 4.02Å
503	P	92.4	Very high	91.9	Very high	56 Å²	56	93.1 Å²	93.1	36%	0.364	46%	0.455	S	S	.	.			trans	-69.1	163.2	174.8	30.5	-35.1	0	0	0	111.3	Y505 Y506	P503-Y505 VanDerWaalsContact C-N 3.27Å; P503-Y505 HydrophobicContact CB-CD1 3.92Å; P503-Y505 HydrophobicContact CB-CE1 3.51Å; P503-Y505 HydrophobicContact CB-CE2 4.28Å; P503-Y505 HydrophobicContact CB-CG 4.46Å; P503-Y505 HydrophobicContact CG-CD1 4.24Å; P503-Y505 HydrophobicContact CG-CD2 4.1Å; P503-Y505 HydrophobicContact CG-CE1 3.72Å; P503-Y505 HydrophobicContact CG-CE2 3.56Å; P503-Y505 HydrophobicContact CG-CG 4.41Å; P503-Y505 PolarHBondContact O-N 3Å; P503-Y506 WeakPolarHBondContact O-CB 3.48Å; P503-Y506 PolarHBondContact O-N 3.23Å; P503-Y506 VanDerWaalsContact O-N 3.09Å
504	N	86.6	Confident	91.6	Very high	130 Å²	130	92.9 Å²	92.9	70%	0.695	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-30.9	-177.1	-71.6	-15.4	0	0	0	113.9	Y506	N504-Y506 PolarHBondContact O-N 3.27Å
505	Y	88.2	Confident	91.2	Very high	198 Å²	198	94.8 Å²	94.8	78%	0.776	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-3.2	179.2	59.8	-104.1	0	0	0	113.9	P503	P503-Y505 VanDerWaalsContact C-N 3.27Å; P503-Y505 HydrophobicContact CB-CD1 3.92Å; P503-Y505 HydrophobicContact CB-CE1 3.51Å; P503-Y505 HydrophobicContact CB-CE2 4.28Å; P503-Y505 HydrophobicContact CB-CG 4.46Å; P503-Y505 HydrophobicContact CG-CD1 4.24Å; P503-Y505 HydrophobicContact CG-CD2 4.1Å; P503-Y505 HydrophobicContact CG-CE1 3.72Å; P503-Y505 HydrophobicContact CG-CE2 3.56Å; P503-Y505 HydrophobicContact CG-CG 4.41Å; P503-Y505 PolarHBondContact O-N 3Å
506	Y	92.6	Very high	90.9	Very high	90 Å²	90	97.5 Å²	97.5	35%	0.353	44%	0.444	S	S	.	.			trans	-73.6	127.2	179	-177	-107.3	0	0	0	110.7	K502 P503 N504 Y508	K502-Y506 HydrophobicContact CB-CD1 3.52Å; K502-Y506 HydrophobicContact CB-CE1 4.18Å; K502-Y506 HydrophobicContact CB-CG 3.82Å; K502-Y506 HydrophobicContact CD-CD1 3.77Å; K502-Y506 HydrophobicContact CD-CD2 4.07Å; K502-Y506 HydrophobicContact CD-CE1 3.68Å; K502-Y506 HydrophobicContact CD-CE2 4.03Å; K502-Y506 HydrophobicContact CD-CG 3.96Å; K502-Y506 HydrophobicContact CG-CD1 3.46Å; K502-Y506 VanDerWaalsContact CG-CD1 3.46Å; K502-Y506 HydrophobicContact CG-CE1 3.57Å; K502-Y506 HydrophobicContact CG-CG 4.02Å; P503-Y506 WeakPolarHBondContact O-CB 3.48Å; P503-Y506 PolarHBondContact O-N 3.23Å; P503-Y506 VanDerWaalsContact O-N 3.09Å; N504-Y506 PolarHBondContact O-N 3.27Å; Y506-Y508 WeakPolarHBondContact CE1-OXT 3.35Å; Y506-Y508 PolarHBondContact O-N 3.22Å; Y506-Y508 PolarHBondContact OH-O 2.89Å; Y506-Y508 PolarHBondContact OH-OXT 3.3Å
507	R	85.5	Confident	90.4	Very high	226 Å²	226	97.8 Å²	97.8	85%	0.853	44%	0.439	S	S	*	.			trans	-88.5	23.9	-173.4	-59.6	-168.6	-179.3	107.6	-1.6	114.7
508	Y	69.5	Low	90.1	Very high	100 Å²	100	99.7 Å²	99.7	39%	0.392	45%	0.449	S	S	.	.			trans	83.2	0	-175.5	-41	-44.5	0	0	0	115.1	D258 V260 K264 Y506	D258-Y508 PolarHBondContact O-OH 2.92Å; V260-Y508 WeakPolarHBondContact CA-OH 3.45Å; V260-Y508 HydrophobicContact CB-CD1 3.55Å; V260-Y508 HydrophobicContact CB-CE1 3.23Å; V260-Y508 HydrophobicContact CB-CE2 4.26Å; V260-Y508 HydrophobicContact CB-CG 4.27Å; V260-Y508 HydrophobicContact CG1-CD1 3.02Å; V260-Y508 HydrophobicContact CG1-CD2 3.95Å; V260-Y508 HydrophobicContact CG1-CE1 3.32Å; V260-Y508 HydrophobicContact CG1-CE2 4.07Å; V260-Y508 HydrophobicContact CG1-CG 3.4Å; V260-Y508 HydrophobicContact CG2-CD1 3.35Å; V260-Y508 HydrophobicContact CG2-CE1 2.84Å; V260-Y508 HydrophobicContact CG2-CG 4.47Å; V260-Y508 PolarHBondContact N-OH 3.14Å; V260-Y508 VanDerWaalsContact N-OH 3.14Å; K264-Y508 HydrophobicContact CD-CD2 4.45Å; K264-Y508 HydrophobicContact CG-CD2 4.1Å; Y506-Y508 WeakPolarHBondContact CE1-OXT 3.35Å; Y506-Y508 PolarHBondContact O-N 3.22Å; Y506-Y508 PolarHBondContact OH-O 2.89Å; Y506-Y508 PolarHBondContact OH-OXT 3.3Å

Retrieved 508 of 508 residues in 1296.5 ms (Link to these results)

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