G4VK53_SCHMA Loading...

Putative nadh-ubiquinone oxidoreductase 24 kD subunit

AlphaFold DB , UniProt , Accession G4VK53, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 248 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	40.6	Very low	37.3	Very low	251 Å²	251	150.5 Å²	150.5	100%	1.236	86%	0.859	S	S	*	*				0	80.2	0	-164.1	169	-174.1	0	0	108.3
2	A	37.7	Very low	36.9	Very low	105 Å²	105	152.2 Å²	152.2	87%	0.868	85%	0.85	S	S	*	*			trans	-178	117.7	164.2	0	0	0	0	0	107.1
3	L	36.9	Very low	36.5	Very low	148 Å²	148	151.7 Å²	151.7	78%	0.775	84%	0.843	S	S	*	*			trans	-87.8	146.8	-176.3	-84.3	119.7	0	0	0	111.3
4	R	37	Very low	36.2	Very low	206 Å²	206	150.9 Å²	150.9	78%	0.777	84%	0.835	S	S	*	*			trans	46.5	108.2	140.3	-63.6	178.1	178.3	-150.2	-1.2	117.8
5	T	41.2	Very low	35.5	Very low	144 Å²	144	149.5 Å²	149.5	88%	0.883	84%	0.838	S	S	*	*			trans	-114	120.2	149.3	42.9	0	0	0	0	109.3
6	F	41.3	Very low	35.4	Very low	195 Å²	195	153.8 Å²	153.8	86%	0.855	84%	0.837	S	S	*	*			trans	-60.2	140.3	176.7	-97.2	-107.2	0	0	0	111.7
7	G	35.5	Very low	35.3	Very low	76 Å²	76	151.2 Å²	151.2	78%	0.784	83%	0.833	S	S	*	*			trans	-69.9	129.6	175.8	0	0	0	0	0	112.4
8	S	36.7	Very low	35.2	Very low	113 Å²	113	152.4 Å²	152.4	79%	0.79	84%	0.839	S	S	*	*			trans	-93.5	113.1	165.3	62.8	0	0	0	0	109.2
9	V	37.9	Very low	35	Very low	146 Å²	146	148 Å²	148	89%	0.885	83%	0.831	S	S	*	*			trans	-88.3	112.6	163.8	178	0	0	0	0	107.1
10	S	32.1	Very low	34.9	Very low	103 Å²	103	146 Å²	146	72%	0.72	83%	0.827	S	S	*	*			trans	-138.5	98.8	165.1	-164.9	0	0	0	0	107.3
11	L	33.4	Very low	35	Very low	168 Å²	168	147.5 Å²	147.5	88%	0.88	83%	0.832	S	S	*	*			trans	-103.8	102.3	170.7	-152.7	77.8	0	0	0	107.5
12	K	32.3	Very low	34.8	Very low	171 Å²	171	144.7 Å²	144.7	74%	0.743	81%	0.814	S	S	*	*			trans	-73.7	164.5	163	-73.8	174.6	172.3	175.7	0	109.5
13	L	31.6	Very low	34.6	Very low	146 Å²	146	149.9 Å²	149.9	76%	0.764	81%	0.811	S	S	*	*			trans	74.3	128.1	166.5	-89.2	71.6	0	0	0	113.5
14	L	32.1	Very low	34.1	Very low	140 Å²	140	150.3 Å²	150.3	73%	0.733	81%	0.814	S	S	*	*			cis	-152.1	138.6	32.4	-87.8	113.1	0	0	0	110.4
15	C	27	Very low	33.8	Very low	130 Å²	130	148 Å²	148	88%	0.878	81%	0.809	S	S	*	*			trans	-71.1	119.5	155.3	-167.4	0	0	0	0	107.8
16	R	32.8	Very low	33.3	Very low	218 Å²	218	144.4 Å²	144.4	82%	0.823	80%	0.801	S	S	*	*			trans	-138.2	123.8	159.7	-103.6	-176.4	172.2	-178.4	-2.7	108.4	D18	R16-D18 PolarHBondContact O-N 3.26Å
17	S	34.3	Very low	33	Very low	110 Å²	110	143.4 Å²	143.4	77%	0.769	79%	0.792	S	S	*	*			trans	-59.4	111.5	176.6	48.6	0	0	0	0	112.1	G19	S17-G19 VanDerWaalsContact C-N 3.3Å; S17-G19 PolarHBondContact O-N 3.28Å; S17-G19 VanDerWaalsContact O-N 3.14Å
18	D	33.8	Very low	33	Very low	174 Å²	174	148.4 Å²	148.4	93%	0.93	80%	0.795	S	S	*	*			trans	-83.4	79.1	164.5	-77.7	-31.1	0	0	0	109.5	R16	R16-D18 PolarHBondContact O-N 3.26Å
19	G	31.2	Very low	33.7	Very low	68 Å²	68	147 Å²	147	70%	0.701	79%	0.785	S	S	*	*			trans	-107.5	98.6	166.7	0	0	0	0	0	109.9	S17	S17-G19 VanDerWaalsContact C-N 3.3Å; S17-G19 PolarHBondContact O-N 3.28Å; S17-G19 VanDerWaalsContact O-N 3.14Å
20	S	32.8	Very low	34.6	Very low	107 Å²	107	143.8 Å²	143.8	75%	0.748	77%	0.769	S	S	*	*			trans	166	75.8	145.5	64.9	0	0	0	0	110.6	F22	S20-F22 VanDerWaalsContact C-N 3.29Å
21	L	37.4	Very low	36.5	Very low	178 Å²	178	142.1 Å²	142.1	93%	0.932	75%	0.749	S	S	*	*			trans	-86.1	5	170.2	-93.2	165.7	0	0	0	113.6
22	F	35.7	Very low	39	Very low	193 Å²	193	138.5 Å²	138.5	85%	0.846	73%	0.731	S	S	*	*			trans	-105.9	84.7	170.3	-78.2	-83.1	0	0	0	110.2	S20 N24	S20-F22 VanDerWaalsContact C-N 3.29Å; F22-N24 VanDerWaalsContact C-N 3.34Å; F22-N24 PolarHBondContact O-N 3.01Å; F22-N24 VanDerWaalsContact O-N 3.14Å
23	R	33.3	Very low	41.8	Very low	213 Å²	213	136.7 Å²	136.7	80%	0.804	72%	0.723	S	S	*	*			trans	-74.3	94.9	156.7	-91.1	-174.9	172.5	-162.3	-2.2	107.6	F25	R23-F25 HydrophobicContact CB-CD2 4.46Å; R23-F25 PolarHBondContact O-N 2.96Å
24	N	27.5	Very low	44.7	Very low	157 Å²	157	133.9 Å²	133.9	84%	0.84	71%	0.712	S	S	*	*			trans	-63.1	87.5	156.6	-92.7	-15.7	0	0	0	107.8	F22 G26	F22-N24 VanDerWaalsContact C-N 3.34Å; F22-N24 PolarHBondContact O-N 3.01Å; F22-N24 VanDerWaalsContact O-N 3.14Å; N24-G26 PolarHBondContact O-N 3.47Å
25	F	30.9	Very low	47.5	Very low	157 Å²	157	131 Å²	131	69%	0.689	69%	0.694	S	S	*	*			trans	-75.1	102.3	163	-115.7	-94.2	0	0	0	106.8	R23 R27	R23-F25 HydrophobicContact CB-CD2 4.46Å; R23-F25 PolarHBondContact O-N 2.96Å; F25-R27 PolarHBondContact O-N 3.08Å
26	G	29.5	Very low	50.5	Low	69 Å²	69	132.1 Å²	132.1	71%	0.711	68%	0.68	S	S	*	*			trans	-62.5	85.5	159.9	0	0	0	0	0	108	N24 Q28	N24-G26 PolarHBondContact O-N 3.47Å; G26-Q28 PolarHBondContact O-N 2.9Å
27	R	35.1	Very low	53.3	Low	175 Å²	175	127.7 Å²	127.7	66%	0.66	67%	0.669	S	S	*	*			trans	-72.8	84.3	174.3	-146.3	178.2	-171.3	-176.5	4.4	106.2	F25 S29 E169	F25-R27 PolarHBondContact O-N 3.08Å; R27-S29 PolarHBondContact O-N 2.83Å; R27-E169 IonicContact NH2-OE1 3.62Å; R27-E169 PolarHBondContact NH2-OE1 3.14Å; R27-E169 IonicContact NH2-OE2 2.65Å; R27-E169 PolarHBondContact NH2-OE2 3.21Å
28	Q	35.9	Very low	55.9	Low	181 Å²	181	126.1 Å²	126.1	85%	0.846	66%	0.655	S	S	*	*			trans	-59.2	133.4	167.3	-70.1	-176	-6.5	0	0	107.1	G26 S30	G26-Q28 PolarHBondContact O-N 2.9Å; Q28-S30 PolarHBondContact O-N 2.93Å
29	S	51.3	Low	58.5	Low	83 Å²	83	129.3 Å²	129.3	58%	0.58	65%	0.654	S	S	*	*			trans	-57.1	131.8	174.1	53.8	0	0	0	0	108.4	R27 H31	R27-S29 PolarHBondContact O-N 2.83Å; S29-H31 PolarHBondContact O-N 3.39Å; S29-H31 PolarHBondContact OG-O 3.28Å; S29-H31 VanDerWaalsContact OG-O 3.14Å
30	S	57.3	Low	61.1	Low	78 Å²	78	132.2 Å²	132.2	55%	0.545	65%	0.649	S	S	.	*	S	Bend	trans	-60.2	-13.8	179.3	45.4	0	0	0	0	113.2	Q28	Q28-S30 PolarHBondContact O-N 2.93Å
31	H	72.3	Confident	63.8	Low	68 Å²	68	128 Å²	128	32%	0.315	62%	0.618	S	S	.	*	S	Bend	trans	-128.9	144.3	-176.5	-56.7	-66.3	0	0	0	112.6	S29 E119	S29-H31 PolarHBondContact O-N 3.39Å; S29-H31 PolarHBondContact OG-O 3.28Å; S29-H31 VanDerWaalsContact OG-O 3.14Å; H31-E119 IonicContact CE1-OE2 3.72Å; H31-E119 IonicContact ND1-OE2 3.33Å; H31-E119 PolarHBondContact ND1-OE2 2.96Å; H31-E119 VanDerWaalsContact ND1-OE2 3.09Å
32	L	85.5	Confident	66.3	Low	93 Å²	93	121.1 Å²	121.1	49%	0.487	58%	0.582	S	S	.	*			trans	-84	129.7	169	-70.8	166.3	0	0	0	109.8	V34 R36 R118	L32-V34 VanDerWaalsContact C-N 3.29Å; L32-R36 VanDerWaalsContact CD1-NH1 3.34Å; L32-R118 PolarHBondContact O-NH1 3.44Å; L32-R118 PolarHBondContact O-NH2 3.04Å
33	F	90.6	Very high	68.6	Low	132 Å²	132	114.5 Å²	114.5	58%	0.579	56%	0.56	S	S	*	*	S	Bend	trans	-87.7	4	176.7	-64.8	-78	0	0	0	114
34	V	91.8	Very high	71.2	Confident	87 Å²	87	111 Å²	111	53%	0.527	56%	0.557	S	S	.	*	S	Bend	trans	-114	139.2	174.6	-63.8	0	0	0	0	109.3	L32	L32-V34 VanDerWaalsContact C-N 3.29Å
35	H	91.4	Very high	73.9	Confident	79 Å²	79	104.8 Å²	104.8	37%	0.366	53%	0.525	S	S	.	.			trans	-86.8	138.6	175.9	-179.2	71.2	0	0	0	110.5	N41 I89	H35-N41 PolarHBondContact CE1-O 2.91Å; H35-I89 VanDerWaalsContact CD2-CD1 3.44Å; H35-I89 WeakPolarHBondContact CD2-CD1 3.43Å
36	R	90.9	Very high	76.4	Confident	154 Å²	154	103.3 Å²	103.3	58%	0.581	53%	0.531	S	S	*	.			trans	-124.7	128.7	167.2	-64.1	-177.4	-176.7	84.8	-0.8	106.8	L32 T38	L32-R36 VanDerWaalsContact CD1-NH1 3.34Å; R36-T38 PolarHBondContact O-N 3.13Å
37	E	90.6	Very high	79.3	Confident	125 Å²	125	101 Å²	101	58%	0.584	50%	0.502	S	S	*	.			trans	-63.6	127.3	179.8	-67.2	-161.3	142.9	0	0	109.8	N42 S43	E37-N42 HydrophobicContact CB-CB 4.22Å; E37-N42 HydrophobicContact CG-CB 4.31Å; E37-S43 PolarHBondContact OE1-N 3.46Å; E37-S43 PolarHBondContact OE1-OG 3.14Å
38	T	89.7	Confident	81.9	Confident	78 Å²	78	98.5 Å²	98.5	48%	0.479	50%	0.497	S	S	.	.			trans	-118.1	170.7	172.8	60.4	0	0	0	0	108.8	R36 E40 N41 N42	R36-T38 PolarHBondContact O-N 3.13Å; T38-E40 PolarHBondContact O-N 3.14Å; T38-N41 PolarHBondContact N-O 3.34Å; T38-N41 CarbonylContact O-C 3.47Å; T38-N41 PolarHBondContact O-N 3.04Å; T38-N41 WeakPolarHBondContact OG1-CB 3.44Å; T38-N41 PolarHBondContact OG1-N 2.83Å; T38-N41 PolarHBondContact OG1-O 3.05Å; T38-N42 PolarHBondContact O-ND2 3.22Å
39	R	88.6	Confident	84.6	Confident	240 Å²	240	90.1 Å²	90.1	91%	0.906	46%	0.458	S	S	*	.	S	Bend	trans	-59.4	-34.2	175.9	-174.8	178	175.8	-177.5	-1.1	112.4	N42	R39-N42 PolarHBondContact O-ND2 3.09Å
40	E	85.1	Confident	86.6	Confident	129 Å²	129	88.4 Å²	88.4	60%	0.603	45%	0.446	S	S	*	.	S	Bend	trans	-92	-26.4	-176.5	-60.2	-177.3	174.5	0	0	113.2	T38	T38-E40 PolarHBondContact O-N 3.14Å
41	N	90.1	Very high	88.4	Confident	20 Å²	20	88.3 Å²	88.3	11%	0.107	45%	0.45	C	S	.	.	S	Bend	trans	-129.4	92.4	-179.7	-168	4.4	0	0	0	109.9	H35 T38 W86 P88 I89	H35-N41 PolarHBondContact CE1-O 2.91Å; T38-N41 PolarHBondContact N-O 3.34Å; T38-N41 CarbonylContact O-C 3.47Å; T38-N41 PolarHBondContact O-N 3.04Å; T38-N41 WeakPolarHBondContact OG1-CB 3.44Å; T38-N41 PolarHBondContact OG1-N 2.83Å; T38-N41 PolarHBondContact OG1-O 3.05Å; N41-W86 HydrophobicContact CB-CH2 3.72Å; N41-W86 HydrophobicContact CB-CZ3 4.11Å; N41-W86 WeakPolarHBondContact ND2-CZ3 3.49Å; N41-P88 WeakPolarHBondContact OD1-CA 3.47Å; N41-I89 PolarHBondContact OD1-N 3.21Å
42	N	89	Confident	89.5	Confident	33 Å²	33	90.7 Å²	90.7	18%	0.176	46%	0.461	C	S	.	.	S	Bend	trans	-139.7	167.7	174	56.5	58.3	0	0	0	110.8	E37 T38 R39 N44 T45 I89	E37-N42 HydrophobicContact CB-CB 4.22Å; E37-N42 HydrophobicContact CG-CB 4.31Å; T38-N42 PolarHBondContact O-ND2 3.22Å; R39-N42 PolarHBondContact O-ND2 3.09Å; N42-N44 PolarHBondContact O-N 2.99Å; N42-N44 VanDerWaalsContact O-N 3.14Å; N42-N44 VanDerWaalsContact OD1-C 3.3Å; N42-N44 WeakPolarHBondContact OD1-CA 3.35Å; N42-N44 PolarHBondContact OD1-N 2.76Å; N42-N44 VanDerWaalsContact OD1-N 3.08Å; N42-T45 VanDerWaalsContact CG-OG1 3.32Å; N42-T45 PolarHBondContact N-OG1 3.14Å; N42-T45 VanDerWaalsContact N-OG1 3.13Å; N42-T45 WeakPolarHBondContact O-CB 3.32Å; N42-T45 PolarHBondContact O-N 2.75Å; N42-T45 VanDerWaalsContact O-N 3.09Å; N42-T45 PolarHBondContact O-OG1 3.25Å; N42-T45 VanDerWaalsContact O-OG1 3.04Å; N42-T45 PolarHBondContact OD1-N 2.89Å; N42-T45 PolarHBondContact OD1-OG1 2.8Å; N42-I89 WeakPolarHBondContact O-CG2 2.96Å
43	S	85.3	Confident	89.9	Confident	53 Å²	53	86.8 Å²	86.8	37%	0.371	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.4	179.2	48.8	0	0	0	0	114.1	E37	E37-S43 PolarHBondContact OE1-N 3.46Å; E37-S43 PolarHBondContact OE1-OG 3.14Å
44	N	86.6	Confident	90.1	Very high	141 Å²	141	84.7 Å²	84.7	75%	0.754	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	2.3	-179.4	-62.9	-42.1	0	0	0	114	N42	N42-N44 PolarHBondContact O-N 2.99Å; N42-N44 VanDerWaalsContact O-N 3.14Å; N42-N44 VanDerWaalsContact OD1-C 3.3Å; N42-N44 WeakPolarHBondContact OD1-CA 3.35Å; N42-N44 PolarHBondContact OD1-N 2.76Å; N42-N44 VanDerWaalsContact OD1-N 3.08Å
45	T	84.3	Confident	90.3	Very high	26 Å²	26	87.9 Å²	87.9	16%	0.16	44%	0.439	C	S	.	.	S	Bend	trans	-68.9	121.2	-178.2	-59	0	0	0	0	109	N42 F47 S90	N42-T45 VanDerWaalsContact CG-OG1 3.32Å; N42-T45 PolarHBondContact N-OG1 3.14Å; N42-T45 VanDerWaalsContact N-OG1 3.13Å; N42-T45 WeakPolarHBondContact O-CB 3.32Å; N42-T45 PolarHBondContact O-N 2.75Å; N42-T45 VanDerWaalsContact O-N 3.09Å; N42-T45 PolarHBondContact O-OG1 3.25Å; N42-T45 VanDerWaalsContact O-OG1 3.04Å; N42-T45 PolarHBondContact OD1-N 2.89Å; N42-T45 PolarHBondContact OD1-OG1 2.8Å; T45-F47 PolarHBondContact O-N 2.73Å; T45-S90 WeakPolarHBondContact O-CB 3.39Å; T45-S90 PolarHBondContact O-OG 3.41Å
46	P	84.2	Confident	90.4	Very high	126 Å²	126	89.8 Å²	89.8	82%	0.818	44%	0.443	S	S	*	.			trans	-65.8	113.1	-171.9	25.9	-34	0	0	0	110.6
47	F	89.4	Confident	90.6	Very high	21 Å²	21	82.7 Å²	82.7	9%	0.092	42%	0.416	C	S	.	.			trans	-134.4	120.8	173.4	-179.9	-88.7	0	0	0	110	T45 F49 A80 H84 S90 A91 K94	T45-F47 PolarHBondContact O-N 2.73Å; F47-F49 HydrophobicContact CE1-CD2 4.32Å; F47-F49 HydrophobicContact CE1-CE1 4.32Å; F47-F49 HydrophobicContact CE1-CE2 4.09Å; F47-F49 HydrophobicContact CE1-CZ 4.11Å; F47-F49 HydrophobicContact CZ-CD1 4.42Å; F47-F49 HydrophobicContact CZ-CE1 4.23Å; F47-F49 HydrophobicContact CZ-CZ 4.41Å; F47-A80 HydrophobicContact CE1-CB 4.25Å; F47-A80 HydrophobicContact CZ-CB 3.7Å; F47-H84 HydrophobicContact CE2-CB 4.09Å; F47-S90 WeakPolarHBondContact CB-OG 3.48Å; F47-A91 HydrophobicContact CD1-CB 3.61Å; F47-A91 HydrophobicContact CD2-CB 3.88Å; F47-A91 HydrophobicContact CE1-CB 3.6Å; F47-A91 HydrophobicContact CE2-CB 3.88Å; F47-A91 HydrophobicContact CG-CB 3.74Å; F47-A91 HydrophobicContact CZ-CB 3.74Å; F47-K94 HydrophobicContact CD1-CB 4.1Å; F47-K94 HydrophobicContact CD1-CG 4.49Å; F47-K94 HydrophobicContact CE1-CB 4.47Å
48	E	90.6	Very high	90.8	Very high	121 Å²	121	81.7 Å²	81.7	57%	0.565	42%	0.415	S	S	*	.			trans	-134.6	146.6	167.2	-74.6	-157.4	-168.1	0	0	110.3	K54 Q83	E48-K54 IonicContact OE2-NZ 3.03Å; E48-K54 PolarHBondContact OE2-NZ 3.26Å; E48-Q83 PolarHBondContact O-NE2 3.37Å
49	F	91.9	Very high	91.1	Very high	5 Å²	5	82.2 Å²	82.2	2%	0.022	42%	0.418	C	S	.	.			trans	-64	137	170.1	-70.8	-77.1	0	0	0	110.8	F47 N53 K54 L57 L79 A80 K94 V95 I98	F47-F49 HydrophobicContact CE1-CD2 4.32Å; F47-F49 HydrophobicContact CE1-CE1 4.32Å; F47-F49 HydrophobicContact CE1-CE2 4.09Å; F47-F49 HydrophobicContact CE1-CZ 4.11Å; F47-F49 HydrophobicContact CZ-CD1 4.42Å; F47-F49 HydrophobicContact CZ-CE1 4.23Å; F47-F49 HydrophobicContact CZ-CZ 4.41Å; F49-N53 HydrophobicContact CB-CB 4.27Å; F49-N53 HydrophobicContact CD1-CB 4.08Å; F49-K54 HydrophobicContact CB-CG 3.75Å; F49-K54 VanDerWaalsContact O-CE 3.22Å; F49-K54 WeakPolarHBondContact O-CE 3.34Å; F49-L57 HydrophobicContact CD2-CD2 4.21Å; F49-L57 HydrophobicContact CE2-CD2 4.1Å; F49-L57 HydrophobicContact CZ-CD2 4.44Å; F49-L79 HydrophobicContact CE1-CD2 4.42Å; F49-L79 HydrophobicContact CE1-CG 4.42Å; F49-A80 HydrophobicContact CE1-CB 3.79Å; F49-A80 HydrophobicContact CZ-CB 3.83Å; F49-K94 HydrophobicContact CD2-CG 4.32Å; F49-K94 HydrophobicContact CE2-CG 4.31Å; F49-V95 HydrophobicContact CE2-CG2 4.07Å; F49-V95 HydrophobicContact CZ-CG2 3.73Å; F49-I98 HydrophobicContact CD2-CD1 3.65Å; F49-I98 HydrophobicContact CE2-CD1 3.67Å
50	S	94.3	Very high	91.4	Very high	47 Å²	47	72.3 Å²	72.3	33%	0.329	38%	0.382	S	S	.	.			trans	-59.4	156.4	170.2	72.9	0	0	0	0	110.6	E52 N53 K54 Q83	S50-E52 PolarHBondContact O-N 3.09Å; S50-N53 CarbonylContact O-C 3.44Å; S50-N53 PolarHBondContact O-N 3.38Å; S50-N53 WeakPolarHBondContact OG-CB 3.45Å; S50-N53 PolarHBondContact OG-N 3.04Å; S50-N53 VanDerWaalsContact OG-N 3.16Å; S50-N53 PolarHBondContact OG-ND2 3.38Å; S50-K54 WeakPolarHBondContact O-CG 3.33Å; S50-K54 PolarHBondContact O-N 3.2Å; S50-Q83 VanDerWaalsContact N-OE1 3.1Å
51	A	94.3	Very high	91.8	Very high	77 Å²	77	67.5 Å²	67.5	64%	0.636	36%	0.36	S	S	*	.	H	α-helix	trans	-57.6	-33.2	179.8	0	0	0	0	0	112.8	K55	A51-K55 PolarHBondContact O-N 3.2Å
52	E	94.8	Very high	92.1	Very high	117 Å²	117	70.7 Å²	70.7	55%	0.547	38%	0.384	S	S	.	.	H	α-helix	trans	-68.3	-45.3	173.3	-172.8	-177.6	179	0	0	111.8	S50 K54 K55 R56	S50-E52 PolarHBondContact O-N 3.09Å; E52-K54 VanDerWaalsContact C-N 3.31Å; E52-K54 PolarHBondContact O-N 3.09Å; E52-K55 WeakPolarHBondContact O-CB 3.43Å; E52-K55 PolarHBondContact O-N 3.15Å; E52-R56 PolarHBondContact O-N 3.01Å; E52-R56 VanDerWaalsContact O-N 3.07Å; E52-R56 IonicContact OE1-CZ 3.24Å; E52-R56 VanDerWaalsContact OE1-CZ 3.31Å; E52-R56 IonicContact OE1-NE 2.83Å; E52-R56 IonicContact OE1-NH2 2.77Å; E52-R56 PolarHBondContact OE1-NH2 2.91Å
53	N	94.8	Very high	92.4	Very high	11 Å²	11	74.7 Å²	74.7	6%	0.059	41%	0.406	C	S	.	.	H	α-helix	trans	-68.6	-29.9	178.8	-74.1	-19.7	0	0	0	112.4	F49 S50 R56 L57 L79 Q83	F49-N53 HydrophobicContact CB-CB 4.27Å; F49-N53 HydrophobicContact CD1-CB 4.08Å; S50-N53 CarbonylContact O-C 3.44Å; S50-N53 PolarHBondContact O-N 3.38Å; S50-N53 WeakPolarHBondContact OG-CB 3.45Å; S50-N53 PolarHBondContact OG-N 3.04Å; S50-N53 VanDerWaalsContact OG-N 3.16Å; S50-N53 PolarHBondContact OG-ND2 3.38Å; N53-R56 PolarHBondContact O-N 3.25Å; N53-R56 PolarHBondContact OD1-NH1 3.41Å; N53-L57 VanDerWaalsContact O-CB 3.29Å; N53-L57 WeakPolarHBondContact O-CB 3.18Å; N53-L57 PolarHBondContact O-N 2.93Å; N53-L79 HydrophobicContact CB-CD2 4.09Å; N53-L79 HydrophobicContact CB-CG 4.32Å; N53-L79 WeakPolarHBondContact O-CD2 3.3Å; N53-Q83 PolarHBondContact ND2-OE1 3.13Å
54	K	94.2	Very high	92.8	Very high	89 Å²	89	75.9 Å²	75.9	39%	0.387	40%	0.402	S	S	.	.	H	α-helix	trans	-59	-46.3	170.4	-72.4	179.6	179.2	171.1	0	110.9	E48 F49 S50 E52 R56 L57 D58	E48-K54 IonicContact OE2-NZ 3.03Å; E48-K54 PolarHBondContact OE2-NZ 3.26Å; F49-K54 HydrophobicContact CB-CG 3.75Å; F49-K54 VanDerWaalsContact O-CE 3.22Å; F49-K54 WeakPolarHBondContact O-CE 3.34Å; S50-K54 WeakPolarHBondContact O-CG 3.33Å; S50-K54 PolarHBondContact O-N 3.2Å; E52-K54 VanDerWaalsContact C-N 3.31Å; E52-K54 PolarHBondContact O-N 3.09Å; K54-R56 PolarHBondContact O-N 3.49Å; K54-L57 WeakPolarHBondContact O-CB 3.45Å; K54-L57 PolarHBondContact O-N 3.36Å; K54-D58 PolarHBondContact O-N 3.26Å
55	K	95.5	Very high	93.2	Very high	154 Å²	154	72.7 Å²	72.7	67%	0.67	39%	0.39	S	S	*	.	H	α-helix	trans	-62	-42.5	175	-65.5	179.6	-178.4	-177.8	0	112.5	A51 E52 L57 D58 V59	A51-K55 PolarHBondContact O-N 3.2Å; E52-K55 WeakPolarHBondContact O-CB 3.43Å; E52-K55 PolarHBondContact O-N 3.15Å; K55-L57 VanDerWaalsContact C-N 3.3Å; K55-L57 PolarHBondContact O-N 2.79Å; K55-D58 PolarHBondContact O-N 3.03Å; K55-V59 WeakPolarHBondContact O-CG2 3.43Å; K55-V59 PolarHBondContact O-N 3.32Å; K55-V59 VanDerWaalsContact O-N 3.13Å
56	R	95.5	Very high	93.4	Very high	119 Å²	119	76.9 Å²	76.9	45%	0.449	42%	0.417	S	S	.	.	H	α-helix	trans	-62.8	-39.5	176.2	-68.5	177.3	-177.2	168.4	-5.3	111.6	E52 N53 K54 V59 I60 L79	E52-R56 PolarHBondContact O-N 3.01Å; E52-R56 VanDerWaalsContact O-N 3.07Å; E52-R56 IonicContact OE1-CZ 3.24Å; E52-R56 VanDerWaalsContact OE1-CZ 3.31Å; E52-R56 IonicContact OE1-NE 2.83Å; E52-R56 IonicContact OE1-NH2 2.77Å; E52-R56 PolarHBondContact OE1-NH2 2.91Å; N53-R56 PolarHBondContact O-N 3.25Å; N53-R56 PolarHBondContact OD1-NH1 3.41Å; K54-R56 PolarHBondContact O-N 3.49Å; R56-V59 PolarHBondContact O-N 3.34Å; R56-I60 WeakPolarHBondContact O-CG1 3.43Å; R56-I60 PolarHBondContact O-N 2.97Å; R56-L79 HydrophobicContact CB-CD2 4.11Å
57	L	94.4	Very high	93.8	Very high	4 Å²	4	75.1 Å²	75.1	2%	0.021	41%	0.413	C	S	.	.	H	α-helix	trans	-64	-41.4	176.5	-174.7	60.8	0	0	0	111.6	F49 N53 K54 K55 V59 I60 I61 A76 L79 I98	F49-L57 HydrophobicContact CD2-CD2 4.21Å; F49-L57 HydrophobicContact CE2-CD2 4.1Å; F49-L57 HydrophobicContact CZ-CD2 4.44Å; N53-L57 VanDerWaalsContact O-CB 3.29Å; N53-L57 WeakPolarHBondContact O-CB 3.18Å; N53-L57 PolarHBondContact O-N 2.93Å; K54-L57 WeakPolarHBondContact O-CB 3.45Å; K54-L57 PolarHBondContact O-N 3.36Å; K55-L57 VanDerWaalsContact C-N 3.3Å; K55-L57 PolarHBondContact O-N 2.79Å; L57-V59 VanDerWaalsContact C-N 3.32Å; L57-V59 PolarHBondContact O-N 2.98Å; L57-I60 WeakPolarHBondContact O-CB 3.33Å; L57-I60 PolarHBondContact O-N 3.48Å; L57-I61 HydrophobicContact CD1-CD1 4.3Å; L57-I61 HydrophobicContact CD1-CG1 4.49Å; L57-I61 HydrophobicContact CG-CD1 3.96Å; L57-I61 VanDerWaalsContact O-CG1 3.27Å; L57-I61 WeakPolarHBondContact O-CG1 3.44Å; L57-I61 PolarHBondContact O-N 3.03Å; L57-A76 HydrophobicContact CD1-CB 3.51Å; L57-L79 HydrophobicContact CB-CD2 4.16Å; L57-I98 HydrophobicContact CD2-CB 4.48Å; L57-I98 HydrophobicContact CD2-CD1 3.68Å; L57-I98 HydrophobicContact CD2-CG2 3.79Å
58	D	94.2	Very high	93.9	Very high	104 Å²	104	79.8 Å²	79.8	56%	0.556	44%	0.435	S	S	*	.	H	α-helix	trans	-60.7	-41.5	174.6	-65.5	-32.2	0	0	0	111.7	K54 K55 I61 S62	K54-D58 PolarHBondContact O-N 3.26Å; K55-D58 PolarHBondContact O-N 3.03Å; D58-I61 PolarHBondContact O-N 2.89Å; D58-S62 WeakPolarHBondContact O-CB 3.46Å; D58-S62 PolarHBondContact O-N 3.31Å
59	V	95.6	Very high	93.9	Very high	90 Å²	90	78.3 Å²	78.3	55%	0.545	43%	0.427	S	S	.	.	H	α-helix	trans	-62.3	-46.1	174.4	174.6	0	0	0	0	111	K55 R56 L57 I61 S62 N63	K55-V59 WeakPolarHBondContact O-CG2 3.43Å; K55-V59 PolarHBondContact O-N 3.32Å; K55-V59 VanDerWaalsContact O-N 3.13Å; R56-V59 PolarHBondContact O-N 3.34Å; L57-V59 VanDerWaalsContact C-N 3.32Å; L57-V59 PolarHBondContact O-N 2.98Å; V59-I61 VanDerWaalsContact C-N 3.33Å; V59-I61 PolarHBondContact O-N 3.27Å; V59-S62 PolarHBondContact O-N 3.42Å; V59-S62 PolarHBondContact O-OG 3.44Å; V59-N63 PolarHBondContact O-N 2.97Å
60	I	95.2	Very high	93.9	Very high	31 Å²	31	80.4 Å²	80.4	16%	0.159	45%	0.445	C	S	.	.	H	α-helix	trans	-58.3	-46.3	176.4	-71.9	166.1	0	0	0	110.9	R56 L57 S62 N63 Y64 A72 P75 L79	R56-I60 WeakPolarHBondContact O-CG1 3.43Å; R56-I60 PolarHBondContact O-N 2.97Å; L57-I60 WeakPolarHBondContact O-CB 3.33Å; L57-I60 PolarHBondContact O-N 3.48Å; I60-S62 VanDerWaalsContact C-N 3.28Å; I60-S62 PolarHBondContact O-N 2.97Å; I60-N63 WeakPolarHBondContact O-CB 3.35Å; I60-N63 PolarHBondContact O-N 3.42Å; I60-Y64 HydrophobicContact CG2-CE2 4.38Å; I60-Y64 VanDerWaalsContact O-CD2 3.32Å; I60-Y64 WeakPolarHBondContact O-CD2 3.36Å; I60-Y64 WeakPolarHBondContact O-CE2 3.41Å; I60-A72 HydrophobicContact CG2-CB 4.02Å; I60-P75 HydrophobicContact CD1-CB 4.05Å; I60-P75 HydrophobicContact CG1-CB 4.44Å; I60-P75 HydrophobicContact CG2-CB 3.73Å; I60-P75 HydrophobicContact CG2-CG 4.2Å; I60-L79 HydrophobicContact CD1-CD2 4.38Å
61	I	94.2	Very high	93.9	Very high	28 Å²	28	80.5 Å²	80.5	14%	0.144	45%	0.449	C	S	.	.	H	α-helix	trans	-64.4	-36.9	-179.8	-67.9	166.2	0	0	0	110.5	L57 D58 V59 N63 Y64 K69 A72 I98 L99	L57-I61 HydrophobicContact CD1-CD1 4.3Å; L57-I61 HydrophobicContact CD1-CG1 4.49Å; L57-I61 HydrophobicContact CG-CD1 3.96Å; L57-I61 VanDerWaalsContact O-CG1 3.27Å; L57-I61 WeakPolarHBondContact O-CG1 3.44Å; L57-I61 PolarHBondContact O-N 3.03Å; D58-I61 PolarHBondContact O-N 2.89Å; V59-I61 VanDerWaalsContact C-N 3.33Å; V59-I61 PolarHBondContact O-N 3.27Å; I61-N63 PolarHBondContact O-N 3.11Å; I61-Y64 PolarHBondContact O-N 2.72Å; I61-Y64 VanDerWaalsContact O-N 3.14Å; I61-K69 HydrophobicContact CG2-CD 4.48Å; I61-K69 HydrophobicContact CG2-CG 4.27Å; I61-A72 HydrophobicContact CG1-CB 4.15Å; I61-I98 HydrophobicContact CD1-CG2 4.09Å; I61-L99 HydrophobicContact CD1-CD2 3.77Å; I61-L99 HydrophobicContact CG1-CD2 3.78Å
62	S	94.9	Very high	94	Very high	87 Å²	87	76.8 Å²	76.8	61%	0.608	42%	0.418	S	S	*	.	H	α-helix	trans	-64.5	-20	179.6	77.9	0	0	0	0	114.5	D58 V59 I60 Y64	D58-S62 WeakPolarHBondContact O-CB 3.46Å; D58-S62 PolarHBondContact O-N 3.31Å; V59-S62 PolarHBondContact O-N 3.42Å; V59-S62 PolarHBondContact O-OG 3.44Å; I60-S62 VanDerWaalsContact C-N 3.28Å; I60-S62 PolarHBondContact O-N 2.97Å; S62-Y64 PolarHBondContact O-N 3.29Å
63	N	95.4	Very high	94	Very high	117 Å²	117	71.9 Å²	71.9	63%	0.626	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-18.2	176	-65.3	-28.9	0	0	0	113.1	V59 I60 I61	V59-N63 PolarHBondContact O-N 2.97Å; I60-N63 WeakPolarHBondContact O-CB 3.35Å; I60-N63 PolarHBondContact O-N 3.42Å; I61-N63 PolarHBondContact O-N 3.11Å
64	Y	95.4	Very high	94.1	Very high	78 Å²	78	74.8 Å²	74.8	31%	0.306	41%	0.41	S	S	.	.	S	Bend	trans	-108.6	146.2	-176.9	-57	-75.4	0	0	0	111.2	I60 I61 S62 A71 A72	I60-Y64 HydrophobicContact CG2-CE2 4.38Å; I60-Y64 VanDerWaalsContact O-CD2 3.32Å; I60-Y64 WeakPolarHBondContact O-CD2 3.36Å; I60-Y64 WeakPolarHBondContact O-CE2 3.41Å; I61-Y64 PolarHBondContact O-N 2.72Å; I61-Y64 VanDerWaalsContact O-N 3.14Å; S62-Y64 PolarHBondContact O-N 3.29Å; Y64-A71 HydrophobicContact CD1-CB 3.4Å; Y64-A71 HydrophobicContact CD2-CB 4.39Å; Y64-A71 HydrophobicContact CE1-CB 3.59Å; Y64-A71 HydrophobicContact CG-CB 3.82Å; Y64-A72 HydrophobicContact CD2-CB 3.8Å; Y64-A72 HydrophobicContact CE2-CB 3.76Å
65	P	94.2	Very high	94.2	Very high	75 Å²	75	72.4 Å²	72.4	49%	0.487	40%	0.404	S	S	.	.			trans	-55	146.9	173	-24.6	33.6	0	0	0	111.5	A67 H68	P65-A67 PolarHBondContact O-N 3.38Å; P65-A67 VanDerWaalsContact O-N 3.08Å; P65-H68 CarbonylContact O-C 3.55Å; P65-H68 WeakPolarHBondContact O-CA 3.13Å; P65-H68 PolarHBondContact O-N 3.49Å
66	P	89.3	Confident	94.2	Very high	114 Å²	114	65.1 Å²	65.1	74%	0.74	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-61.3	-25.3	-174.1	22.8	-33.8	0	0	0	114	H68	P66-H68 VanDerWaalsContact C-N 3.31Å
67	A	90.7	Very high	94.2	Very high	88 Å²	88	59.4 Å²	59.4	73%	0.727	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-75.8	-16.6	174.2	0	0	0	0	0	113.6	P65	P65-A67 PolarHBondContact O-N 3.38Å; P65-A67 VanDerWaalsContact O-N 3.08Å
68	H	92.6	Very high	94.3	Very high	120 Å²	120	61 Å²	61	56%	0.556	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-120.3	35.5	-172.7	-63.1	-59.7	0	0	0	112.8	P65 P66 A70 A71	P65-H68 CarbonylContact O-C 3.55Å; P65-H68 WeakPolarHBondContact O-CA 3.13Å; P65-H68 PolarHBondContact O-N 3.49Å; P66-H68 VanDerWaalsContact C-N 3.31Å; H68-A70 PolarHBondContact O-N 2.9Å; H68-A70 VanDerWaalsContact O-N 3.08Å; H68-A71 VanDerWaalsContact O-CB 3.31Å; H68-A71 WeakPolarHBondContact O-CB 3.49Å; H68-A71 PolarHBondContact O-N 3.23Å
69	K	90.2	Very high	94.4	Very high	89 Å²	89	56.7 Å²	56.7	39%	0.387	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-55.3	-26.9	175.9	-68.5	-178.3	-178.7	-175	0	113.6	I61 A71 A72	I61-K69 HydrophobicContact CG2-CD 4.48Å; I61-K69 HydrophobicContact CG2-CG 4.27Å; K69-A71 PolarHBondContact O-N 3.01Å; K69-A71 VanDerWaalsContact O-N 3.14Å; K69-A72 WeakPolarHBondContact O-CB 3.36Å; K69-A72 PolarHBondContact O-N 3.34Å
70	A	92.7	Very high	94.4	Very high	49 Å²	49	52.4 Å²	52.4	41%	0.405	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-58.9	-21.6	174.5	0	0	0	0	0	113.7	H68 A72 I73 V101	H68-A70 PolarHBondContact O-N 2.9Å; H68-A70 VanDerWaalsContact O-N 3.08Å; A70-A72 PolarHBondContact O-N 2.89Å; A70-I73 HydrophobicContact CB-CD1 4.36Å; A70-I73 VanDerWaalsContact O-CD1 3.27Å; A70-I73 WeakPolarHBondContact O-CD1 3.47Å; A70-I73 WeakPolarHBondContact O-CG1 3.41Å; A70-I73 PolarHBondContact O-N 3.43Å; A70-V101 HydrophobicContact CB-CG1 3.71Å
71	A	94.4	Very high	94.4	Very high	49 Å²	49	52 Å²	52	41%	0.405	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-66	-20.3	175.4	0	0	0	0	0	112.9	Y64 H68 K69 I73	Y64-A71 HydrophobicContact CD1-CB 3.4Å; Y64-A71 HydrophobicContact CD2-CB 4.39Å; Y64-A71 HydrophobicContact CE1-CB 3.59Å; Y64-A71 HydrophobicContact CG-CB 3.82Å; H68-A71 VanDerWaalsContact O-CB 3.31Å; H68-A71 WeakPolarHBondContact O-CB 3.49Å; H68-A71 PolarHBondContact O-N 3.23Å; K69-A71 PolarHBondContact O-N 3.01Å; K69-A71 VanDerWaalsContact O-N 3.14Å; A71-I73 VanDerWaalsContact C-N 3.28Å; A71-I73 PolarHBondContact O-N 2.99Å
72	A	95.1	Very high	94.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-80.6	2.7	177.5	0	0	0	0	0	114.3	I60 I61 Y64 K69 A70 I74 P75 A76 L99	I60-A72 HydrophobicContact CG2-CB 4.02Å; I61-A72 HydrophobicContact CG1-CB 4.15Å; Y64-A72 HydrophobicContact CD2-CB 3.8Å; Y64-A72 HydrophobicContact CE2-CB 3.76Å; K69-A72 WeakPolarHBondContact O-CB 3.36Å; K69-A72 PolarHBondContact O-N 3.34Å; A70-A72 PolarHBondContact O-N 2.89Å; A72-I74 PolarHBondContact O-N 3.23Å; A72-P75 WeakPolarHBondContact O-CD 3.34Å; A72-A76 WeakPolarHBondContact O-CB 3.28Å; A72-A76 PolarHBondContact O-N 3.08Å; A72-L99 HydrophobicContact CB-CD1 4.32Å; A72-L99 HydrophobicContact CB-CD2 3.89Å
73	I	96.1	Very high	94.3	Very high	13 Å²	13	56.4 Å²	56.4	7%	0.067	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-47	-178.3	-68.7	165.4	0	0	0	111.3	A70 A71 A76 L77 L99 V101 V106 V109	A70-I73 HydrophobicContact CB-CD1 4.36Å; A70-I73 VanDerWaalsContact O-CD1 3.27Å; A70-I73 WeakPolarHBondContact O-CD1 3.47Å; A70-I73 WeakPolarHBondContact O-CG1 3.41Å; A70-I73 PolarHBondContact O-N 3.43Å; A71-I73 VanDerWaalsContact C-N 3.28Å; A71-I73 PolarHBondContact O-N 2.99Å; I73-A76 PolarHBondContact O-N 3.47Å; I73-L77 HydrophobicContact CG2-CD1 3.77Å; I73-L77 HydrophobicContact CG2-CG 4.29Å; I73-L77 WeakPolarHBondContact O-CB 3.31Å; I73-L77 WeakPolarHBondContact O-CG 3.1Å; I73-L77 PolarHBondContact O-N 3.07Å; I73-L99 HydrophobicContact CB-CD1 4.23Å; I73-L99 HydrophobicContact CG1-CD1 3.61Å; I73-V101 HydrophobicContact CD1-CG1 4.38Å; I73-V101 HydrophobicContact CD1-CG2 4.09Å; I73-V101 HydrophobicContact CG1-CG2 4.32Å; I73-V106 HydrophobicContact CG2-CG2 4.43Å; I73-V109 HydrophobicContact CG2-CB 4.01Å; I73-V109 HydrophobicContact CG2-CG1 3.91Å; I73-V109 HydrophobicContact CG2-CG2 4.05Å
74	I	96.4	Very high	94.1	Very high	72 Å²	72	54.8 Å²	54.8	37%	0.369	30%	0.301	S	S	.	.	H	α-helix	trans	-63.4	-53.4	-175.6	-63	168.5	0	0	0	111	A72 A76 L77 D78 V109 Y113 F116	A72-I74 PolarHBondContact O-N 3.23Å; I74-A76 VanDerWaalsContact C-N 3.32Å; I74-A76 PolarHBondContact O-N 3.22Å; I74-L77 PolarHBondContact O-N 2.94Å; I74-D78 PolarHBondContact O-N 3.46Å; I74-V109 HydrophobicContact CG1-CG1 3.86Å; I74-Y113 HydrophobicContact CD1-CE2 3.69Å; I74-Y113 HydrophobicContact CG1-CE2 4.03Å; I74-F116 HydrophobicContact CG2-CZ 4.12Å
75	P	96.2	Very high	93.8	Very high	40 Å²	40	53 Å²	53	26%	0.26	31%	0.305	S	S	.	.	H	α-helix	trans	-68.8	-29.8	179.8	-18.5	32.7	0	0	0	113.2	I60 A72 D78 L79	I60-P75 HydrophobicContact CD1-CB 4.05Å; I60-P75 HydrophobicContact CG1-CB 4.44Å; I60-P75 HydrophobicContact CG2-CB 3.73Å; I60-P75 HydrophobicContact CG2-CG 4.2Å; A72-P75 WeakPolarHBondContact O-CD 3.34Å; P75-D78 PolarHBondContact O-N 2.69Å; P75-L79 WeakPolarHBondContact O-CB 3.42Å; P75-L79 PolarHBondContact O-N 2.83Å
76	A	95.6	Very high	93.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-67.1	-40.8	175.5	0	0	0	0	0	112.1	L57 A72 I73 I74 L79 A80 V95 L99	L57-A76 HydrophobicContact CD1-CB 3.51Å; A72-A76 WeakPolarHBondContact O-CB 3.28Å; A72-A76 PolarHBondContact O-N 3.08Å; I73-A76 PolarHBondContact O-N 3.47Å; I74-A76 VanDerWaalsContact C-N 3.32Å; I74-A76 PolarHBondContact O-N 3.22Å; A76-L79 PolarHBondContact O-N 3.5Å; A76-A80 PolarHBondContact O-N 3.13Å; A76-V95 HydrophobicContact CB-CG1 3.8Å; A76-V95 HydrophobicContact CB-CG2 4.26Å; A76-L99 HydrophobicContact CB-CD1 4.25Å
77	L	96.3	Very high	94	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.8	-42.8	173	-75.9	175	0	0	0	111.6	I73 I74 L79 A80 Q81 L87 M92 V95 V106 V109 A110 F116	I73-L77 HydrophobicContact CG2-CD1 3.77Å; I73-L77 HydrophobicContact CG2-CG 4.29Å; I73-L77 WeakPolarHBondContact O-CB 3.31Å; I73-L77 WeakPolarHBondContact O-CG 3.1Å; I73-L77 PolarHBondContact O-N 3.07Å; I74-L77 PolarHBondContact O-N 2.94Å; L77-L79 VanDerWaalsContact C-N 3.28Å; L77-L79 PolarHBondContact O-N 3.08Å; L77-A80 WeakPolarHBondContact O-CB 3.35Å; L77-A80 PolarHBondContact O-N 3.3Å; L77-A80 VanDerWaalsContact O-N 3.14Å; L77-Q81 PolarHBondContact O-N 3.13Å; L77-L87 HydrophobicContact CB-CD1 4.31Å; L77-L87 HydrophobicContact CD2-CD1 4.21Å; L77-L87 HydrophobicContact CD2-CD2 4.34Å; L77-L87 WeakPolarHBondContact O-CD2 3.44Å; L77-M92 HydrophobicContact CD2-CG 4.23Å; L77-V95 HydrophobicContact CD2-CB 4.3Å; L77-V95 HydrophobicContact CD2-CG1 4.39Å; L77-V95 HydrophobicContact CD2-CG2 4.13Å; L77-V95 HydrophobicContact CG-CG1 4.35Å; L77-V106 HydrophobicContact CD1-CG1 3.92Å; L77-V106 HydrophobicContact CD2-CG1 3.68Å; L77-V106 HydrophobicContact CG-CG1 4.11Å; L77-V109 HydrophobicContact CD1-CB 4.33Å; L77-V109 HydrophobicContact CD1-CG1 3.86Å; L77-A110 HydrophobicContact CD1-CB 4.3Å; L77-F116 HydrophobicContact CB-CD1 4.27Å; L77-F116 HydrophobicContact CB-CE1 3.61Å; L77-F116 HydrophobicContact CB-CE2 4.37Å; L77-F116 HydrophobicContact CB-CZ 3.66Å; L77-F116 HydrophobicContact CD1-CE2 4.15Å; L77-F116 HydrophobicContact CD1-CZ 4.24Å
78	D	96	Very high	94.1	Very high	37 Å²	37	41.1 Å²	41.1	20%	0.198	22%	0.217	C	C	.	.	H	α-helix	trans	-60.6	-40.9	176	-174.3	68.1	0	0	0	111.2	I74 P75 A80 Q81 R82 F116	I74-D78 PolarHBondContact O-N 3.46Å; P75-D78 PolarHBondContact O-N 2.69Å; D78-A80 VanDerWaalsContact C-N 3.35Å; D78-A80 PolarHBondContact O-N 2.97Å; D78-Q81 WeakPolarHBondContact O-CB 3.43Å; D78-Q81 PolarHBondContact O-N 3.09Å; D78-R82 WeakPolarHBondContact O-CG 3.47Å; D78-R82 PolarHBondContact O-N 2.85Å; D78-R82 IonicContact OD2-CZ 3.86Å; D78-R82 IonicContact OD2-NE 3.76Å; D78-R82 PolarHBondContact OD2-NE 2.7Å; D78-R82 IonicContact OD2-NH2 2.69Å; D78-F116 HydrophobicContact CB-CE1 4.25Å
79	L	95.8	Very high	94.2	Very high	13 Å²	13	36.4 Å²	36.4	7%	0.068	20%	0.196	C	C	.	.	H	α-helix	trans	-63	-40.5	175.1	-171.5	67.6	0	0	0	112.3	F49 N53 R56 L57 I60 P75 A76 L77 Q81 R82 Q83	F49-L79 HydrophobicContact CE1-CD2 4.42Å; F49-L79 HydrophobicContact CE1-CG 4.42Å; N53-L79 HydrophobicContact CB-CD2 4.09Å; N53-L79 HydrophobicContact CB-CG 4.32Å; N53-L79 WeakPolarHBondContact O-CD2 3.3Å; R56-L79 HydrophobicContact CB-CD2 4.11Å; L57-L79 HydrophobicContact CB-CD2 4.16Å; I60-L79 HydrophobicContact CD1-CD2 4.38Å; P75-L79 WeakPolarHBondContact O-CB 3.42Å; P75-L79 PolarHBondContact O-N 2.83Å; A76-L79 PolarHBondContact O-N 3.5Å; L77-L79 VanDerWaalsContact C-N 3.28Å; L77-L79 PolarHBondContact O-N 3.08Å; L79-Q81 VanDerWaalsContact C-N 3.34Å; L79-R82 PolarHBondContact O-N 2.82Å; L79-Q83 PolarHBondContact O-N 2.73Å; L79-Q83 VanDerWaalsContact O-N 3.09Å
80	A	95.4	Very high	94.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.1	-42.2	174.9	0	0	0	0	0	111.5	F47 F49 A76 L77 D78 Q83 H84 L87 A91	F47-A80 HydrophobicContact CE1-CB 4.25Å; F47-A80 HydrophobicContact CZ-CB 3.7Å; F49-A80 HydrophobicContact CE1-CB 3.79Å; F49-A80 HydrophobicContact CZ-CB 3.83Å; A76-A80 PolarHBondContact O-N 3.13Å; L77-A80 WeakPolarHBondContact O-CB 3.35Å; L77-A80 PolarHBondContact O-N 3.3Å; L77-A80 VanDerWaalsContact O-N 3.14Å; D78-A80 VanDerWaalsContact C-N 3.35Å; D78-A80 PolarHBondContact O-N 2.97Å; A80-Q83 PolarHBondContact O-N 3.38Å; A80-H84 PolarHBondContact O-N 2.87Å; A80-H84 VanDerWaalsContact O-N 3.12Å; A80-L87 HydrophobicContact CB-CD2 3.7Å; A80-A91 HydrophobicContact CB-CB 4.31Å
81	Q	95.4	Very high	94.4	Very high	23 Å²	23	30.3 Å²	30.3	11%	0.107	16%	0.162	C	C	.	.	H	α-helix	trans	-64.7	-41.5	175.3	-177.1	163.7	-42.3	0	0	111.9	L77 D78 L79 Q83 H84 G85 L87 M115 F116 N117	L77-Q81 PolarHBondContact O-N 3.13Å; D78-Q81 WeakPolarHBondContact O-CB 3.43Å; D78-Q81 PolarHBondContact O-N 3.09Å; L79-Q81 VanDerWaalsContact C-N 3.34Å; Q81-Q83 PolarHBondContact O-N 3.05Å; Q81-H84 PolarHBondContact O-N 3.45Å; Q81-G85 CarbonylContact O-C 3.54Å; Q81-G85 WeakPolarHBondContact O-CA 3.34Å; Q81-G85 PolarHBondContact O-N 3.45Å; Q81-L87 HydrophobicContact CB-CD1 4.48Å; Q81-L87 HydrophobicContact CB-CD2 3.98Å; Q81-L87 HydrophobicContact CB-CG 3.97Å; Q81-M115 PolarHBondContact NE2-O 3.45Å; Q81-M115 PolarHBondContact OE1-O 2.82Å; Q81-F116 VanDerWaalsContact OE1-CA 3.24Å; Q81-N117 PolarHBondContact NE2-ND2 3.44Å
82	R	94.2	Very high	94.5	Very high	138 Å²	138	28.6 Å²	28.6	52%	0.521	15%	0.145	S	C	.	.	H	α-helix	trans	-63.8	-30	175.9	-73.1	177.5	-179	-80.8	-8.4	112.7	D78 L79 D186	D78-R82 WeakPolarHBondContact O-CG 3.47Å; D78-R82 PolarHBondContact O-N 2.85Å; D78-R82 IonicContact OD2-CZ 3.86Å; D78-R82 IonicContact OD2-NE 3.76Å; D78-R82 PolarHBondContact OD2-NE 2.7Å; D78-R82 IonicContact OD2-NH2 2.69Å; L79-R82 PolarHBondContact O-N 2.82Å; R82-D186 IonicContact CZ-OD1 2.82Å; R82-D186 IonicContact CZ-OD2 3.36Å; R82-D186 IonicContact NH1-OD1 3.6Å; R82-D186 PolarHBondContact NH1-OD1 2.95Å; R82-D186 IonicContact NH1-OD2 3.75Å; R82-D186 PolarHBondContact NH1-OD2 3.22Å; R82-D186 IonicContact NH2-OD1 2.81Å; R82-D186 PolarHBondContact NH2-OD1 3.42Å; R82-D186 IonicContact NH2-OD2 3.66Å
83	Q	93.1	Very high	94.5	Very high	70 Å²	70	29.8 Å²	29.8	33%	0.327	15%	0.152	S	C	.	.	H	α-helix	trans	-75.5	-40.4	177	-173	177.8	-42.3	0	0	112.8	E48 S50 N53 L79 A80 Q81	E48-Q83 PolarHBondContact O-NE2 3.37Å; S50-Q83 VanDerWaalsContact N-OE1 3.1Å; N53-Q83 PolarHBondContact ND2-OE1 3.13Å; L79-Q83 PolarHBondContact O-N 2.73Å; L79-Q83 VanDerWaalsContact O-N 3.09Å; A80-Q83 PolarHBondContact O-N 3.38Å; Q81-Q83 PolarHBondContact O-N 3.05Å
84	H	90.1	Very high	94.4	Very high	83 Å²	83	31.2 Å²	31.2	38%	0.384	16%	0.157	S	C	.	.	H	α-helix	trans	-106.9	-14.1	-171.6	-164.8	68.7	0	0	0	114.5	F47 A80 Q81 W86	F47-H84 HydrophobicContact CE2-CB 4.09Å; A80-H84 PolarHBondContact O-N 2.87Å; A80-H84 VanDerWaalsContact O-N 3.12Å; Q81-H84 PolarHBondContact O-N 3.45Å; H84-W86 VanDerWaalsContact C-N 3.26Å; H84-W86 AromaticContact CD2-CD1 3.55Å; H84-W86 AromaticContact CD2-CE2 3.58Å; H84-W86 AromaticContact CD2-NE1 3.2Å; H84-W86 PolarHBondContact CD2-NE1 3.27Å; H84-W86 PolarHBondContact CD2-O 3.12Å; H84-W86 AromaticContact NE2-CD1 3.98Å; H84-W86 AromaticContact NE2-CE2 3.47Å; H84-W86 AromaticContact NE2-CZ2 3.64Å; H84-W86 AromaticContact NE2-NE1 3.15Å; H84-W86 PolarHBondContact NE2-NE1 2.81Å; H84-W86 VanDerWaalsContact NE2-NE1 3.15Å; H84-W86 PolarHBondContact O-N 2.7Å
85	G	90.5	Very high	94.3	Very high	39 Å²	39	27.8 Å²	27.8	40%	0.402	14%	0.14	S	C	.	.	S	Bend	trans	88.7	-28.7	-172.6	0	0	0	0	0	113.8	Q81	Q81-G85 CarbonylContact O-C 3.54Å; Q81-G85 WeakPolarHBondContact O-CA 3.34Å; Q81-G85 PolarHBondContact O-N 3.45Å
86	W	93	Very high	94.3	Very high	27 Å²	27	26 Å²	26	10%	0.102	13%	0.129	C	C	.	.	S	Bend	trans	-150.6	172.3	179.9	67.2	-75.6	0	0	0	109.7	N41 H84 P88 N117 E119 P120	N41-W86 HydrophobicContact CB-CH2 3.72Å; N41-W86 HydrophobicContact CB-CZ3 4.11Å; N41-W86 WeakPolarHBondContact ND2-CZ3 3.49Å; H84-W86 VanDerWaalsContact C-N 3.26Å; H84-W86 AromaticContact CD2-CD1 3.55Å; H84-W86 AromaticContact CD2-CE2 3.58Å; H84-W86 AromaticContact CD2-NE1 3.2Å; H84-W86 PolarHBondContact CD2-NE1 3.27Å; H84-W86 PolarHBondContact CD2-O 3.12Å; H84-W86 AromaticContact NE2-CD1 3.98Å; H84-W86 AromaticContact NE2-CE2 3.47Å; H84-W86 AromaticContact NE2-CZ2 3.64Å; H84-W86 AromaticContact NE2-NE1 3.15Å; H84-W86 PolarHBondContact NE2-NE1 2.81Å; H84-W86 VanDerWaalsContact NE2-NE1 3.15Å; H84-W86 PolarHBondContact O-N 2.7Å; W86-P88 HydrophobicContact CH2-CB 3.63Å; W86-P88 HydrophobicContact CH2-CG 4.46Å; W86-P88 HydrophobicContact CZ2-CB 4.22Å; W86-P88 VanDerWaalsContact CZ3-CA 3.47Å; W86-P88 HydrophobicContact CZ3-CB 3.85Å; W86-P88 WeakPolarHBondContact O-CD 3.4Å; W86-N117 CarbonylContact C-O 3.58Å; W86-N117 WeakPolarHBondContact CA-O 3.44Å; W86-N117 HydrophobicContact CB-CB 4.15Å; W86-N117 WeakPolarHBondContact CB-O 3.47Å; W86-E119 WeakPolarHBondContact CB-O 3.37Å; W86-P120 HydrophobicContact CD2-CB 4.32Å; W86-P120 HydrophobicContact CG-CB 4.36Å
87	L	93.8	Very high	94.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.156	C	C	.	.			trans	-107.1	97.4	-174.1	-70.5	175.6	0	0	0	112.2	L77 A80 Q81 A91 M92 F116 N117	L77-L87 HydrophobicContact CB-CD1 4.31Å; L77-L87 HydrophobicContact CD2-CD1 4.21Å; L77-L87 HydrophobicContact CD2-CD2 4.34Å; L77-L87 WeakPolarHBondContact O-CD2 3.44Å; A80-L87 HydrophobicContact CB-CD2 3.7Å; Q81-L87 HydrophobicContact CB-CD1 4.48Å; Q81-L87 HydrophobicContact CB-CD2 3.98Å; Q81-L87 HydrophobicContact CB-CG 3.97Å; L87-A91 HydrophobicContact CD2-CB 4.36Å; L87-M92 HydrophobicContact CB-CE 3.73Å; L87-F116 HydrophobicContact CD1-CB 3.81Å; L87-F116 HydrophobicContact CD1-CD1 3.49Å; L87-F116 VanDerWaalsContact CD1-CD1 3.49Å; L87-F116 HydrophobicContact CD1-CE1 4.32Å; L87-F116 HydrophobicContact CD1-CG 3.8Å; L87-N117 PolarHBondContact N-O 3.03Å
88	P	93.5	Very high	94	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	17%	0.169	C	C	.	.			trans	-69	158.4	166.6	27.8	-33	0	0	0	110.8	N41 W86 S90 A91 M92	N41-P88 WeakPolarHBondContact OD1-CA 3.47Å; W86-P88 HydrophobicContact CH2-CB 3.63Å; W86-P88 HydrophobicContact CH2-CG 4.46Å; W86-P88 HydrophobicContact CZ2-CB 4.22Å; W86-P88 VanDerWaalsContact CZ3-CA 3.47Å; W86-P88 HydrophobicContact CZ3-CB 3.85Å; W86-P88 WeakPolarHBondContact O-CD 3.4Å; P88-S90 PolarHBondContact O-N 3.22Å; P88-A91 HydrophobicContact CG-CB 3.8Å; P88-A91 WeakPolarHBondContact O-CB 3.35Å; P88-A91 PolarHBondContact O-N 3.24Å; P88-M92 PolarHBondContact O-N 2.77Å
89	I	94	Very high	93.9	Very high	22 Å²	22	32.9 Å²	32.9	11%	0.113	16%	0.161	C	C	.	.	H	α-helix	trans	-59.7	-31.9	177.6	-168.8	164.8	0	0	0	111.9	H35 N41 N42 A91 M92 N93 Y107	H35-I89 VanDerWaalsContact CD2-CD1 3.44Å; H35-I89 WeakPolarHBondContact CD2-CD1 3.43Å; N41-I89 PolarHBondContact OD1-N 3.21Å; N42-I89 WeakPolarHBondContact O-CG2 2.96Å; I89-A91 PolarHBondContact O-N 3.48Å; I89-M92 PolarHBondContact O-N 3.39Å; I89-N93 PolarHBondContact O-N 2.84Å; I89-N93 PolarHBondContact O-ND2 2.75Å; I89-Y107 HydrophobicContact CD1-CE1 4.49Å; I89-Y107 HydrophobicContact CG1-CE1 4Å
90	S	93.8	Very high	93.7	Very high	9 Å²	9	38.7 Å²	38.7	6%	0.063	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-35.8	175	58.8	0	0	0	0	113.1	T45 F47 P88 N93 K94	T45-S90 WeakPolarHBondContact O-CB 3.39Å; T45-S90 PolarHBondContact O-OG 3.41Å; F47-S90 WeakPolarHBondContact CB-OG 3.48Å; P88-S90 PolarHBondContact O-N 3.22Å; S90-N93 PolarHBondContact O-N 3.4Å; S90-K94 WeakPolarHBondContact O-CB 3.29Å; S90-K94 PolarHBondContact O-N 2.83Å
91	A	94.4	Very high	93.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.2	-42.2	174.1	0	0	0	0	0	111.8	F47 A80 L87 P88 I89 K94 V95	F47-A91 HydrophobicContact CD1-CB 3.61Å; F47-A91 HydrophobicContact CD2-CB 3.88Å; F47-A91 HydrophobicContact CE1-CB 3.6Å; F47-A91 HydrophobicContact CE2-CB 3.88Å; F47-A91 HydrophobicContact CG-CB 3.74Å; F47-A91 HydrophobicContact CZ-CB 3.74Å; A80-A91 HydrophobicContact CB-CB 4.31Å; L87-A91 HydrophobicContact CD2-CB 4.36Å; P88-A91 HydrophobicContact CG-CB 3.8Å; P88-A91 WeakPolarHBondContact O-CB 3.35Å; P88-A91 PolarHBondContact O-N 3.24Å; I89-A91 PolarHBondContact O-N 3.48Å; A91-K94 PolarHBondContact O-N 3.24Å; A91-V95 WeakPolarHBondContact O-CG2 3.48Å; A91-V95 PolarHBondContact O-N 3.22Å
92	M	95.2	Very high	93.7	Very high	13 Å²	13	43 Å²	43	6%	0.064	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-43.8	174.8	-60.8	-179.5	-167.1	0	0	111.4	L77 L87 P88 I89 K94 V95 A96 V106 Y107 A110 R118	L77-M92 HydrophobicContact CD2-CG 4.23Å; L87-M92 HydrophobicContact CB-CE 3.73Å; P88-M92 PolarHBondContact O-N 2.77Å; I89-M92 PolarHBondContact O-N 3.39Å; M92-K94 VanDerWaalsContact C-N 3.32Å; M92-K94 PolarHBondContact O-N 3.08Å; M92-V95 PolarHBondContact O-N 3.06Å; M92-A96 PolarHBondContact O-N 3.21Å; M92-V106 HydrophobicContact CB-CG1 3.93Å; M92-V106 HydrophobicContact CG-CG1 4.44Å; M92-Y107 HydrophobicContact CB-CD1 3.99Å; M92-Y107 HydrophobicContact CB-CE1 3.76Å; M92-Y107 HydrophobicContact CG-CD1 4.48Å; M92-Y107 HydrophobicContact SD-CD1 3.66Å; M92-Y107 HydrophobicContact SD-CE1 4.06Å; M92-A110 HydrophobicContact CE-CB 3.62Å; M92-A110 HydrophobicContact CG-CB 4.49Å; M92-A110 HydrophobicContact SD-CB 3.78Å; M92-R118 HydrophobicContact CE-CG 3.83Å
93	N	95	Very high	93.8	Very high	26 Å²	26	41.1 Å²	41.1	14%	0.139	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-39.6	175.3	-75.1	-26	0	0	0	112.4	I89 S90 A96 E97 Q103 Y107	I89-N93 PolarHBondContact O-N 2.84Å; I89-N93 PolarHBondContact O-ND2 2.75Å; S90-N93 PolarHBondContact O-N 3.4Å; N93-A96 WeakPolarHBondContact O-CB 3.39Å; N93-A96 PolarHBondContact O-N 2.98Å; N93-E97 PolarHBondContact O-N 3.43Å; N93-Q103 WeakPolarHBondContact OD1-CG 3.14Å; N93-Q103 PolarHBondContact OD1-NE2 3.28Å; N93-Q103 PolarHBondContact OD1-OE1 3.32Å; N93-Y107 PolarHBondContact OD1-OH 3.17Å
94	K	94	Very high	93.9	Very high	42 Å²	42	43.4 Å²	43.4	18%	0.183	23%	0.231	C	C	.	.	H	α-helix	trans	-67.5	-39	178.6	-165.8	62.1	-178.5	173.7	0	112.3	F47 F49 S90 A91 M92 A96 E97 I98	F47-K94 HydrophobicContact CD1-CB 4.1Å; F47-K94 HydrophobicContact CD1-CG 4.49Å; F47-K94 HydrophobicContact CE1-CB 4.47Å; F49-K94 HydrophobicContact CD2-CG 4.32Å; F49-K94 HydrophobicContact CE2-CG 4.31Å; S90-K94 WeakPolarHBondContact O-CB 3.29Å; S90-K94 PolarHBondContact O-N 2.83Å; A91-K94 PolarHBondContact O-N 3.24Å; M92-K94 VanDerWaalsContact C-N 3.32Å; M92-K94 PolarHBondContact O-N 3.08Å; K94-A96 VanDerWaalsContact C-N 3.33Å; K94-E97 WeakPolarHBondContact CD-OE2 3.27Å; K94-E97 VanDerWaalsContact NZ-CD 3.26Å; K94-E97 IonicContact NZ-OE1 2.79Å; K94-E97 PolarHBondContact NZ-OE1 2.97Å; K94-E97 IonicContact NZ-OE2 3.09Å; K94-E97 PolarHBondContact NZ-OE2 3.08Å; K94-E97 PolarHBondContact O-N 2.92Å; K94-I98 HydrophobicContact CG-CD1 4.12Å; K94-I98 VanDerWaalsContact O-CG1 3.29Å; K94-I98 WeakPolarHBondContact O-CG1 3.47Å; K94-I98 PolarHBondContact O-N 3.1Å; K94-I98 VanDerWaalsContact O-N 3.08Å
95	V	95	Very high	94.2	Very high	1 Å²	1	46 Å²	46	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-41.5	173	171.7	0	0	0	0	111	F49 A76 L77 A91 M92 E97 I98 L99 V106	F49-V95 HydrophobicContact CE2-CG2 4.07Å; F49-V95 HydrophobicContact CZ-CG2 3.73Å; A76-V95 HydrophobicContact CB-CG1 3.8Å; A76-V95 HydrophobicContact CB-CG2 4.26Å; L77-V95 HydrophobicContact CD2-CB 4.3Å; L77-V95 HydrophobicContact CD2-CG1 4.39Å; L77-V95 HydrophobicContact CD2-CG2 4.13Å; L77-V95 HydrophobicContact CG-CG1 4.35Å; A91-V95 WeakPolarHBondContact O-CG2 3.48Å; A91-V95 PolarHBondContact O-N 3.22Å; M92-V95 PolarHBondContact O-N 3.06Å; V95-E97 PolarHBondContact O-N 2.97Å; V95-I98 PolarHBondContact O-N 3.1Å; V95-L99 HydrophobicContact CG1-CD1 3.81Å; V95-L99 HydrophobicContact CG1-CG 4.43Å; V95-L99 WeakPolarHBondContact O-CB 3.33Å; V95-L99 WeakPolarHBondContact O-CG 3.39Å; V95-L99 PolarHBondContact O-N 2.93Å; V95-V106 HydrophobicContact CG1-CG1 4.42Å
96	A	95.3	Very high	94.4	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.025	22%	0.218	C	C	.	.	H	α-helix	trans	-60.6	-43.9	176.7	0	0	0	0	0	112.3	M92 N93 K94 N100 V101 Q103 V106	M92-A96 PolarHBondContact O-N 3.21Å; N93-A96 WeakPolarHBondContact O-CB 3.39Å; N93-A96 PolarHBondContact O-N 2.98Å; K94-A96 VanDerWaalsContact C-N 3.33Å; A96-N100 PolarHBondContact O-N 3.42Å; A96-N100 VanDerWaalsContact O-N 3.07Å; A96-V101 HydrophobicContact CB-CG2 4.39Å; A96-V101 PolarHBondContact O-N 3.07Å; A96-V101 VanDerWaalsContact O-N 3.08Å; A96-Q103 HydrophobicContact CB-CB 4.37Å; A96-Q103 HydrophobicContact CB-CG 3.87Å; A96-V106 HydrophobicContact CB-CG2 3.75Å
97	E	94	Very high	94.6	Very high	122 Å²	122	45.3 Å²	45.3	57%	0.57	22%	0.223	S	C	*	.	H	α-helix	trans	-60.3	-49.6	176.1	-172.5	-164.7	148.5	0	0	111.6	N93 K94 V95 L99 N100	N93-E97 PolarHBondContact O-N 3.43Å; K94-E97 WeakPolarHBondContact CD-OE2 3.27Å; K94-E97 VanDerWaalsContact NZ-CD 3.26Å; K94-E97 IonicContact NZ-OE1 2.79Å; K94-E97 PolarHBondContact NZ-OE1 2.97Å; K94-E97 IonicContact NZ-OE2 3.09Å; K94-E97 PolarHBondContact NZ-OE2 3.08Å; K94-E97 PolarHBondContact O-N 2.92Å; V95-E97 PolarHBondContact O-N 2.97Å; E97-L99 PolarHBondContact O-N 2.81Å; E97-N100 PolarHBondContact O-N 3.22Å
98	I	92.5	Very high	94.7	Very high	54 Å²	54	48.8 Å²	48.8	28%	0.277	24%	0.239	S	C	.	.	H	α-helix	trans	-66.3	-40.4	-176	-65.8	165.4	0	0	0	111.8	F49 L57 I61 K94 V95 N100	F49-I98 HydrophobicContact CD2-CD1 3.65Å; F49-I98 HydrophobicContact CE2-CD1 3.67Å; L57-I98 HydrophobicContact CD2-CB 4.48Å; L57-I98 HydrophobicContact CD2-CD1 3.68Å; L57-I98 HydrophobicContact CD2-CG2 3.79Å; I61-I98 HydrophobicContact CD1-CG2 4.09Å; K94-I98 HydrophobicContact CG-CD1 4.12Å; K94-I98 VanDerWaalsContact O-CG1 3.29Å; K94-I98 WeakPolarHBondContact O-CG1 3.47Å; K94-I98 PolarHBondContact O-N 3.1Å; K94-I98 VanDerWaalsContact O-N 3.08Å; V95-I98 PolarHBondContact O-N 3.1Å; I98-N100 VanDerWaalsContact C-N 3.3Å
99	L	93.1	Very high	94.8	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-84.1	-4.9	-178.5	-62.6	179.9	0	0	0	113.4	I61 A72 I73 A76 V95 E97 V101	I61-L99 HydrophobicContact CD1-CD2 3.77Å; I61-L99 HydrophobicContact CG1-CD2 3.78Å; A72-L99 HydrophobicContact CB-CD1 4.32Å; A72-L99 HydrophobicContact CB-CD2 3.89Å; I73-L99 HydrophobicContact CB-CD1 4.23Å; I73-L99 HydrophobicContact CG1-CD1 3.61Å; A76-L99 HydrophobicContact CB-CD1 4.25Å; V95-L99 HydrophobicContact CG1-CD1 3.81Å; V95-L99 HydrophobicContact CG1-CG 4.43Å; V95-L99 WeakPolarHBondContact O-CB 3.33Å; V95-L99 WeakPolarHBondContact O-CG 3.39Å; V95-L99 PolarHBondContact O-N 2.93Å; E97-L99 PolarHBondContact O-N 2.81Å; L99-V101 VanDerWaalsContact C-N 3.31Å; L99-V101 HydrophobicContact CB-CG1 4.27Å; L99-V101 HydrophobicContact CB-CG2 4.12Å; L99-V101 PolarHBondContact O-N 3.44Å
100	N	93.3	Very high	94.9	Very high	135 Å²	135	49.1 Å²	49.1	72%	0.722	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	45.4	-173.8	-62	-76.7	0	0	0	112.7	A96 E97 I98	A96-N100 PolarHBondContact O-N 3.42Å; A96-N100 VanDerWaalsContact O-N 3.07Å; E97-N100 PolarHBondContact O-N 3.22Å; I98-N100 VanDerWaalsContact C-N 3.3Å
101	V	94.4	Very high	94.9	Very high	23 Å²	23	51 Å²	51	14%	0.139	25%	0.253	C	S	.	.			trans	-115.7	150.2	177	-63.2	0	0	0	0	110.5	A70 I73 A96 L99 Q103 V106	A70-V101 HydrophobicContact CB-CG1 3.71Å; I73-V101 HydrophobicContact CD1-CG1 4.38Å; I73-V101 HydrophobicContact CD1-CG2 4.09Å; I73-V101 HydrophobicContact CG1-CG2 4.32Å; A96-V101 HydrophobicContact CB-CG2 4.39Å; A96-V101 PolarHBondContact O-N 3.07Å; A96-V101 VanDerWaalsContact O-N 3.08Å; L99-V101 VanDerWaalsContact C-N 3.31Å; L99-V101 HydrophobicContact CB-CG1 4.27Å; L99-V101 HydrophobicContact CB-CG2 4.12Å; L99-V101 PolarHBondContact O-N 3.44Å; V101-Q103 PolarHBondContact O-N 3.45Å; V101-V106 HydrophobicContact CG2-CG2 3.69Å
102	P	95.7	Very high	95	Very high	90 Å²	90	58.3 Å²	58.3	58%	0.584	29%	0.285	S	S	*	.			trans	-57.7	134.8	173.3	-23.3	33.5	0	0	0	111.1	M104 R105	P102-M104 PolarHBondContact O-N 2.78Å; P102-M104 VanDerWaalsContact O-N 3.09Å; P102-R105 HydrophobicContact CB-CG 4.44Å; P102-R105 WeakPolarHBondContact O-CB 3.35Å; P102-R105 PolarHBondContact O-N 2.9Å
103	Q	95.8	Very high	95	Very high	99 Å²	99	62.4 Å²	62.4	46%	0.463	30%	0.301	S	S	.	.	H	α-helix	trans	-51.3	-37.8	-179.4	-66.8	173.2	-10.4	0	0	112.6	N93 A96 V101 R105 V106 Y107	N93-Q103 WeakPolarHBondContact OD1-CG 3.14Å; N93-Q103 PolarHBondContact OD1-NE2 3.28Å; N93-Q103 PolarHBondContact OD1-OE1 3.32Å; A96-Q103 HydrophobicContact CB-CB 4.37Å; A96-Q103 HydrophobicContact CB-CG 3.87Å; V101-Q103 PolarHBondContact O-N 3.45Å; Q103-R105 PolarHBondContact O-N 2.81Å; Q103-V106 WeakPolarHBondContact O-CA 3.36Å; Q103-V106 WeakPolarHBondContact O-CB 3.37Å; Q103-V106 PolarHBondContact O-N 3.36Å; Q103-Y107 HydrophobicContact CB-CE2 3.93Å; Q103-Y107 PolarHBondContact O-N 3.34Å
104	M	96.2	Very high	95	Very high	117 Å²	117	67.8 Å²	67.8	58%	0.576	34%	0.335	S	S	*	.	H	α-helix	trans	-56.1	-37	178.2	-169	63.1	-169.5	0	0	113.1	P102 V106 Y107 E108	P102-M104 PolarHBondContact O-N 2.78Å; P102-M104 VanDerWaalsContact O-N 3.09Å; M104-V106 VanDerWaalsContact C-N 3.29Å; M104-V106 PolarHBondContact O-N 3.33Å; M104-Y107 PolarHBondContact O-N 3.16Å; M104-Y107 HydrophobicContact SD-CD2 4.2Å; M104-E108 HydrophobicContact CE-CG 4.32Å; M104-E108 WeakPolarHBondContact O-CG 3.48Å; M104-E108 PolarHBondContact O-N 2.88Å
105	R	95.3	Very high	94.9	Very high	137 Å²	137	71.2 Å²	71.2	52%	0.517	35%	0.353	S	S	.	.	H	α-helix	trans	-67.6	-33	177.9	-62.9	-62.5	170.5	-160.2	-5.7	112.1	P102 Q103 E108 V109	P102-R105 HydrophobicContact CB-CG 4.44Å; P102-R105 WeakPolarHBondContact O-CB 3.35Å; P102-R105 PolarHBondContact O-N 2.9Å; Q103-R105 PolarHBondContact O-N 2.81Å; R105-E108 VanDerWaalsContact CD-OE2 3.28Å; R105-E108 WeakPolarHBondContact CD-OE2 3.16Å; R105-E108 IonicContact CZ-OE1 2.8Å; R105-E108 IonicContact CZ-OE2 3.8Å; R105-E108 IonicContact NE-OE2 2.82Å; R105-E108 IonicContact NH1-OE1 3.1Å; R105-E108 PolarHBondContact NH1-OE1 3.48Å; R105-E108 IonicContact NH1-OE2 3.74Å; R105-E108 PolarHBondContact NH1-OE2 3.2Å; R105-V109 WeakPolarHBondContact O-CG2 3.33Å; R105-V109 PolarHBondContact O-N 2.9Å
106	V	96.2	Very high	94.9	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-71.4	-39.2	174.4	-175.2	0	0	0	0	110.5	I73 L77 M92 V95 A96 V101 Q103 M104 V109 A110	I73-V106 HydrophobicContact CG2-CG2 4.43Å; L77-V106 HydrophobicContact CD1-CG1 3.92Å; L77-V106 HydrophobicContact CD2-CG1 3.68Å; L77-V106 HydrophobicContact CG-CG1 4.11Å; M92-V106 HydrophobicContact CB-CG1 3.93Å; M92-V106 HydrophobicContact CG-CG1 4.44Å; V95-V106 HydrophobicContact CG1-CG1 4.42Å; A96-V106 HydrophobicContact CB-CG2 3.75Å; V101-V106 HydrophobicContact CG2-CG2 3.69Å; Q103-V106 WeakPolarHBondContact O-CA 3.36Å; Q103-V106 WeakPolarHBondContact O-CB 3.37Å; Q103-V106 PolarHBondContact O-N 3.36Å; M104-V106 VanDerWaalsContact C-N 3.29Å; M104-V106 PolarHBondContact O-N 3.33Å; V106-V109 PolarHBondContact O-N 3.09Å; V106-A110 WeakPolarHBondContact O-CB 3.49Å; V106-A110 PolarHBondContact O-N 2.81Å
107	Y	95.8	Very high	94.8	Very high	52 Å²	52	72.7 Å²	72.7	20%	0.204	36%	0.36	C	S	.	.	H	α-helix	trans	-65.3	-40.7	175.6	-56.5	-28.9	0	0	0	112.8	I89 M92 N93 Q103 M104 V109 A110 T111	I89-Y107 HydrophobicContact CD1-CE1 4.49Å; I89-Y107 HydrophobicContact CG1-CE1 4Å; M92-Y107 HydrophobicContact CB-CD1 3.99Å; M92-Y107 HydrophobicContact CB-CE1 3.76Å; M92-Y107 HydrophobicContact CG-CD1 4.48Å; M92-Y107 HydrophobicContact SD-CD1 3.66Å; M92-Y107 HydrophobicContact SD-CE1 4.06Å; N93-Y107 PolarHBondContact OD1-OH 3.17Å; Q103-Y107 HydrophobicContact CB-CE2 3.93Å; Q103-Y107 PolarHBondContact O-N 3.34Å; M104-Y107 PolarHBondContact O-N 3.16Å; M104-Y107 HydrophobicContact SD-CD2 4.2Å; Y107-V109 VanDerWaalsContact C-N 3.34Å; Y107-V109 PolarHBondContact O-N 3.01Å; Y107-A110 PolarHBondContact O-N 2.85Å; Y107-T111 WeakPolarHBondContact O-CB 3.22Å; Y107-T111 WeakPolarHBondContact O-CG2 3.12Å; Y107-T111 PolarHBondContact O-N 2.99Å; Y107-T111 PolarHBondContact O-OG1 2.82Å
108	E	96.5	Very high	94.8	Very high	74 Å²	74	69 Å²	69	35%	0.346	34%	0.34	S	S	.	.	H	α-helix	trans	-57.8	-47.3	173.6	-74.7	170	-178.8	0	0	110.7	M104 R105 T111 F112	M104-E108 HydrophobicContact CE-CG 4.32Å; M104-E108 WeakPolarHBondContact O-CG 3.48Å; M104-E108 PolarHBondContact O-N 2.88Å; R105-E108 VanDerWaalsContact CD-OE2 3.28Å; R105-E108 WeakPolarHBondContact CD-OE2 3.16Å; R105-E108 IonicContact CZ-OE1 2.8Å; R105-E108 IonicContact CZ-OE2 3.8Å; R105-E108 IonicContact NE-OE2 2.82Å; R105-E108 IonicContact NH1-OE1 3.1Å; R105-E108 PolarHBondContact NH1-OE1 3.48Å; R105-E108 IonicContact NH1-OE2 3.74Å; R105-E108 PolarHBondContact NH1-OE2 3.2Å; E108-T111 PolarHBondContact O-N 3.38Å; E108-T111 PolarHBondContact O-OG1 3.37Å; E108-T111 VanDerWaalsContact O-OG1 3.11Å; E108-F112 WeakPolarHBondContact O-CB 3.5Å; E108-F112 PolarHBondContact O-N 2.98Å
109	V	96.2	Very high	94.6	Very high	29 Å²	29	70.1 Å²	70.1	18%	0.176	35%	0.345	C	S	.	.	H	α-helix	trans	-64.8	-46.2	177.9	172.5	0	0	0	0	111.4	I73 I74 L77 R105 V106 Y107 T111 F112 Y113 F116	I73-V109 HydrophobicContact CG2-CB 4.01Å; I73-V109 HydrophobicContact CG2-CG1 3.91Å; I73-V109 HydrophobicContact CG2-CG2 4.05Å; I74-V109 HydrophobicContact CG1-CG1 3.86Å; L77-V109 HydrophobicContact CD1-CB 4.33Å; L77-V109 HydrophobicContact CD1-CG1 3.86Å; R105-V109 WeakPolarHBondContact O-CG2 3.33Å; R105-V109 PolarHBondContact O-N 2.9Å; V106-V109 PolarHBondContact O-N 3.09Å; Y107-V109 VanDerWaalsContact C-N 3.34Å; Y107-V109 PolarHBondContact O-N 3.01Å; V109-T111 PolarHBondContact O-N 2.85Å; V109-F112 PolarHBondContact O-N 3.23Å; V109-Y113 HydrophobicContact CG1-CD2 3.76Å; V109-Y113 HydrophobicContact CG1-CE2 3.88Å; V109-Y113 WeakPolarHBondContact O-CD2 3.39Å; V109-Y113 PolarHBondContact O-N 2.88Å; V109-F116 HydrophobicContact CG1-CE2 3.9Å
110	A	95.2	Very high	94.5	Very high	1 Å²	1	73.3 Å²	73.3	1%	0.008	37%	0.366	C	S	.	.	H	α-helix	trans	-66.4	-23.8	-178.8	0	0	0	0	0	113.8	L77 M92 V106 Y107	L77-A110 HydrophobicContact CD1-CB 4.3Å; M92-A110 HydrophobicContact CE-CB 3.62Å; M92-A110 HydrophobicContact CG-CB 4.49Å; M92-A110 HydrophobicContact SD-CB 3.78Å; V106-A110 WeakPolarHBondContact O-CB 3.49Å; V106-A110 PolarHBondContact O-N 2.81Å; Y107-A110 PolarHBondContact O-N 2.85Å
111	T	94.5	Very high	94.4	Very high	48 Å²	48	68.8 Å²	68.8	29%	0.294	34%	0.343	S	S	.	.	H	α-helix	trans	-92.6	-25	176.7	50.6	0	0	0	0	112.8	Y107 E108 V109	Y107-T111 WeakPolarHBondContact O-CB 3.22Å; Y107-T111 WeakPolarHBondContact O-CG2 3.12Å; Y107-T111 PolarHBondContact O-N 2.99Å; Y107-T111 PolarHBondContact O-OG1 2.82Å; E108-T111 PolarHBondContact O-N 3.38Å; E108-T111 PolarHBondContact O-OG1 3.37Å; E108-T111 VanDerWaalsContact O-OG1 3.11Å; V109-T111 PolarHBondContact O-N 2.85Å
112	F	96.2	Very high	94.3	Very high	154 Å²	154	67.9 Å²	67.9	68%	0.675	34%	0.338	S	S	*	.	H	α-helix	trans	-78.4	-45.1	-178.8	-176.8	-99	0	0	0	113.4	E108 V109	E108-F112 WeakPolarHBondContact O-CB 3.5Å; E108-F112 PolarHBondContact O-N 2.98Å; V109-F112 PolarHBondContact O-N 3.23Å
113	Y	95.5	Very high	94.1	Very high	99 Å²	99	70.1 Å²	70.1	39%	0.388	34%	0.339	S	S	.	.	S	Bend	trans	-87	126.2	-178.8	-64.8	-81	0	0	0	111.6	I74 V109 M115 F116	I74-Y113 HydrophobicContact CD1-CE2 3.69Å; I74-Y113 HydrophobicContact CG1-CE2 4.03Å; V109-Y113 HydrophobicContact CG1-CD2 3.76Å; V109-Y113 HydrophobicContact CG1-CE2 3.88Å; V109-Y113 WeakPolarHBondContact O-CD2 3.39Å; V109-Y113 PolarHBondContact O-N 2.88Å; Y113-M115 PolarHBondContact O-N 3.38Å; Y113-F116 HydrophobicContact CD2-CD2 4.44Å; Y113-F116 HydrophobicContact CD2-CE2 4.01Å; Y113-F116 HydrophobicContact CG-CE2 4.27Å; Y113-F116 PolarHBondContact O-N 3.48Å
114	T	93.3	Very high	94.1	Very high	138 Å²	138	67.4 Å²	67.4	85%	0.847	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.9	-176.1	54.9	0	0	0	0	114.5	F116	T114-F116 VanDerWaalsContact C-N 3.25Å; T114-F116 PolarHBondContact O-N 2.93Å
115	M	93.5	Very high	94	Very high	115 Å²	115	62.4 Å²	62.4	57%	0.567	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-24.2	174.9	-68.8	178	58.5	0	0	112.6	Q81 Y113 N117	Q81-M115 PolarHBondContact NE2-O 3.45Å; Q81-M115 PolarHBondContact OE1-O 2.82Å; Y113-M115 PolarHBondContact O-N 3.38Å; M115-N117 PolarHBondContact O-N 3.14Å
116	F	95	Very high	94	Very high	14 Å²	14	55.9 Å²	55.9	6%	0.061	28%	0.275	C	S	.	.			trans	-80.8	102.6	-175.1	-70.2	-44	0	0	0	111.5	I74 L77 D78 Q81 L87 V109 Y113 T114 R118	I74-F116 HydrophobicContact CG2-CZ 4.12Å; L77-F116 HydrophobicContact CB-CD1 4.27Å; L77-F116 HydrophobicContact CB-CE1 3.61Å; L77-F116 HydrophobicContact CB-CE2 4.37Å; L77-F116 HydrophobicContact CB-CZ 3.66Å; L77-F116 HydrophobicContact CD1-CE2 4.15Å; L77-F116 HydrophobicContact CD1-CZ 4.24Å; D78-F116 HydrophobicContact CB-CE1 4.25Å; Q81-F116 VanDerWaalsContact OE1-CA 3.24Å; L87-F116 HydrophobicContact CD1-CB 3.81Å; L87-F116 HydrophobicContact CD1-CD1 3.49Å; L87-F116 VanDerWaalsContact CD1-CD1 3.49Å; L87-F116 HydrophobicContact CD1-CE1 4.32Å; L87-F116 HydrophobicContact CD1-CG 3.8Å; V109-F116 HydrophobicContact CG1-CE2 3.9Å; Y113-F116 HydrophobicContact CD2-CD2 4.44Å; Y113-F116 HydrophobicContact CD2-CE2 4.01Å; Y113-F116 HydrophobicContact CG-CE2 4.27Å; Y113-F116 PolarHBondContact O-N 3.48Å; T114-F116 VanDerWaalsContact C-N 3.25Å; T114-F116 PolarHBondContact O-N 2.93Å; F116-R118 PolarHBondContact O-N 2.63Å
117	N	93.5	Very high	94	Very high	21 Å²	21	57.2 Å²	57.2	11%	0.112	28%	0.282	C	S	.	.			trans	-77.7	108.7	-179.8	-67.8	-33.9	0	0	0	109.4	Q81 W86 L87 M115 V121	Q81-N117 PolarHBondContact NE2-ND2 3.44Å; W86-N117 CarbonylContact C-O 3.58Å; W86-N117 WeakPolarHBondContact CA-O 3.44Å; W86-N117 HydrophobicContact CB-CB 4.15Å; W86-N117 WeakPolarHBondContact CB-O 3.47Å; L87-N117 PolarHBondContact N-O 3.03Å; M115-N117 PolarHBondContact O-N 3.14Å; N117-V121 HydrophobicContact CB-CG1 4.02Å; N117-V121 HydrophobicContact CB-CG2 4.34Å
118	R	92.1	Very high	94	Very high	43 Å²	43	54.8 Å²	54.8	16%	0.162	27%	0.272	C	S	.	.			trans	-92	-7.7	179.1	-61.9	-177.3	-68.1	104.7	0.8	113.8	L32 M92 F116	L32-R118 PolarHBondContact O-NH1 3.44Å; L32-R118 PolarHBondContact O-NH2 3.04Å; M92-R118 HydrophobicContact CE-CG 3.83Å; F116-R118 PolarHBondContact O-N 2.63Å
119	E	89.2	Confident	94	Very high	79 Å²	79	51.4 Å²	51.4	37%	0.369	26%	0.256	S	S	.	.	S	Bend	trans	-116.6	150.4	175.8	-70.7	166.6	171.3	0	0	108.1	H31 W86 V121	H31-E119 IonicContact CE1-OE2 3.72Å; H31-E119 IonicContact ND1-OE2 3.33Å; H31-E119 PolarHBondContact ND1-OE2 2.96Å; H31-E119 VanDerWaalsContact ND1-OE2 3.09Å; W86-E119 WeakPolarHBondContact CB-O 3.37Å; E119-V121 PolarHBondContact O-N 3.29Å
120	P	90.6	Very high	93.9	Very high	72 Å²	72	51.3 Å²	51.3	47%	0.468	26%	0.256	S	S	.	.			trans	-65.2	110.3	180	26.7	-34	0	0	0	110.3	W86	W86-P120 HydrophobicContact CD2-CB 4.32Å; W86-P120 HydrophobicContact CG-CB 4.36Å
121	V	92.3	Very high	93.9	Very high	39 Å²	39	52.3 Å²	52.3	24%	0.236	26%	0.262	C	S	.	.			trans	-86.6	156	171.6	-64.3	0	0	0	0	110.6	N117 E119 T166	N117-V121 HydrophobicContact CB-CG1 4.02Å; N117-V121 HydrophobicContact CB-CG2 4.34Å; E119-V121 PolarHBondContact O-N 3.29Å; V121-T166 HydrophobicContact CG1-CG2 4.3Å
122	G	91.2	Very high	94	Very high	5 Å²	5	54.2 Å²	54.2	5%	0.052	27%	0.273	C	S	.	.			trans	-63.6	165.6	171.2	0	0	0	0	0	112.3	Y124 K163 T166	G122-Y124 PolarHBondContact O-N 3.34Å; G122-Y124 VanDerWaalsContact O-N 3.1Å; G122-K163 CarbonylContact C-O 3.6Å; G122-K163 WeakPolarHBondContact CA-O 3.48Å; G122-T166 PolarHBondContact N-OG1 2.83Å
123	K	92.8	Very high	93.9	Very high	136 Å²	136	49.7 Å²	49.7	59%	0.591	26%	0.26	S	S	*	.	S	Bend	trans	-53.9	-33.3	-177.7	-176.2	176	176.9	-177.7	0	114	K163 M164 N185	K123-K163 PolarHBondContact N-O 3.29Å; K123-K163 VanDerWaalsContact N-O 3.09Å; K123-M164 HydrophobicContact CB-SD 4.39Å; K123-M164 HydrophobicContact CD-CE 4.49Å; K123-M164 HydrophobicContact CD-SD 4.3Å; K123-M164 PolarHBondContact N-O 3.46Å; K123-N185 PolarHBondContact O-ND2 3.47Å; K123-N185 VanDerWaalsContact O-ND2 3.1Å
124	Y	94.9	Very high	93.8	Very high	43 Å²	43	45 Å²	45	17%	0.169	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	109.8	176.6	-62.1	-77.9	0	0	0	109.4	G122 M164 F165 T166 I184 I204	G122-Y124 PolarHBondContact O-N 3.34Å; G122-Y124 VanDerWaalsContact O-N 3.1Å; Y124-M164 HydrophobicContact CD2-CE 4.21Å; Y124-M164 HydrophobicContact CE2-CE 3.83Å; Y124-M164 PolarHBondContact N-O 3.2Å; Y124-F165 HydrophobicContact CD2-CD1 4.44Å; Y124-F165 HydrophobicContact CD2-CE1 4.01Å; Y124-F165 HydrophobicContact CD2-CZ 4.4Å; Y124-F165 HydrophobicContact CG-CD1 4.39Å; Y124-F165 HydrophobicContact CG-CE1 4.11Å; Y124-F165 WeakPolarHBondContact O-CA 3.42Å; Y124-T166 PolarHBondContact O-N 3.33Å; Y124-I184 HydrophobicContact CD1-CG2 3.94Å; Y124-I184 HydrophobicContact CG-CG2 4.39Å; Y124-I204 HydrophobicContact CD1-CG2 3.8Å; Y124-I204 HydrophobicContact CD2-CG2 3.6Å; Y124-I204 HydrophobicContact CE1-CG2 3.64Å; Y124-I204 HydrophobicContact CE2-CG2 3.45Å; Y124-I204 VanDerWaalsContact CE2-CG2 3.45Å; Y124-I204 HydrophobicContact CG-CG2 3.78Å; Y124-I204 VanDerWaalsContact CZ-CG2 3.47Å
125	H	94.7	Very high	93.9	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.056	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	107.3	173.8	-173.4	-157.6	0	0	0	109.1	Q127 T168 I184 N185	H125-Q127 PolarHBondContact CE1-NE2 3.43Å; H125-Q127 PolarHBondContact ND1-NE2 2.94Å; H125-T168 WeakPolarHBondContact NE2-CB 3.48Å; H125-T168 PolarHBondContact NE2-OG1 3.16Å; H125-I184 WeakPolarHBondContact O-CA 3.24Å; H125-N185 PolarHBondContact N-OD1 3.4Å; H125-N185 PolarHBondContact O-N 3.3Å; H125-N185 VanDerWaalsContact O-N 3.07Å
126	I	95.7	Very high	93.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	114.5	177.6	-55.8	167.6	0	0	0	107.9	L148 L152 F165 T166 L167 T168 M182 Q183 I184 L201	I126-L148 HydrophobicContact CD1-CD2 4.26Å; I126-L148 HydrophobicContact CG2-CD1 4.21Å; I126-L148 HydrophobicContact CG2-CD2 4.25Å; I126-L152 HydrophobicContact CD1-CD1 3.71Å; I126-F165 HydrophobicContact CD1-CB 4.13Å; I126-F165 HydrophobicContact CD1-CD1 3.64Å; I126-F165 HydrophobicContact CD1-CE1 4.45Å; I126-F165 HydrophobicContact CD1-CG 4.2Å; I126-F165 HydrophobicContact CG1-CD1 4.18Å; I126-T166 PolarHBondContact N-O 2.97Å; I126-L167 HydrophobicContact CB-CD1 4.34Å; I126-L167 HydrophobicContact CG2-CD1 4.04Å; I126-T168 PolarHBondContact O-N 3.45Å; I126-M182 HydrophobicContact CG2-SD 4.27Å; I126-Q183 WeakPolarHBondContact CA-O 3.39Å; I126-I184 HydrophobicContact CG1-CD1 4.47Å; I126-I184 HydrophobicContact CG1-CG1 4.24Å; I126-L201 HydrophobicContact CD1-CD2 3.6Å
127	Q	95.7	Very high	93.4	Very high	28 Å²	28	43.6 Å²	43.6	13%	0.131	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	112	178.4	-64.4	-178.5	13	0	0	108.7	H125 T168 V170 M182 Q183	H125-Q127 PolarHBondContact CE1-NE2 3.43Å; H125-Q127 PolarHBondContact ND1-NE2 2.94Å; Q127-T168 WeakPolarHBondContact CA-O 3.27Å; Q127-V170 HydrophobicContact CB-CB 4.44Å; Q127-V170 HydrophobicContact CB-CG1 3.75Å; Q127-V170 HydrophobicContact CB-CG2 3.8Å; Q127-V170 HydrophobicContact CG-CG1 3.91Å; Q127-M182 CarbonylContact O-C 3.55Å; Q127-M182 WeakPolarHBondContact O-CA 3.36Å; Q127-Q183 HydrophobicContact CB-CB 4.18Å; Q127-Q183 PolarHBondContact N-O 3.46Å; Q127-Q183 PolarHBondContact O-N 3.33Å
128	I	95.6	Very high	93	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.2	179.9	-179.8	162.7	0	0	0	111	T130 I144 L145 L148 L167 T168 V170	I128-T130 HydrophobicContact CG1-CG2 4.49Å; I128-T130 PolarHBondContact O-N 3.02Å; I128-I144 HydrophobicContact CD1-CB 3.98Å; I128-I144 HydrophobicContact CD1-CG2 3.8Å; I128-L145 HydrophobicContact CD1-CB 3.79Å; I128-L145 HydrophobicContact CD1-CD1 4.34Å; I128-L145 HydrophobicContact CG2-CD1 3.84Å; I128-L148 HydrophobicContact CB-CD1 4.41Å; I128-L148 HydrophobicContact CD1-CD1 3.82Å; I128-L167 HydrophobicContact CG2-CD1 4.08Å; I128-T168 PolarHBondContact N-O 3.19Å; I128-V170 WeakPolarHBondContact O-CG2 3.5Å; I128-V170 PolarHBondContact O-N 2.95Å
129	C	96	Very high	92.7	Very high	2 Å²	2	47 Å²	47	1%	0.014	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	117.5	176.4	179.2	0	0	0	0	110.5	T131 C134 S141 V170 E171 L173 M181	C129-T131 PolarHBondContact SG-OG1 3.27Å; C129-C134 HydrophobicContact CB-CB 4.28Å; C129-C134 VanDerWaalsContact O-CB 3.31Å; C129-C134 WeakPolarHBondContact O-CB 3.46Å; C129-C134 PolarHBondContact SG-SG 3.44Å; C129-S141 WeakPolarHBondContact O-CB 3.49Å; C129-V170 WeakPolarHBondContact CA-O 3.35Å; C129-E171 PolarHBondContact SG-O 3.3Å; C129-L173 HydrophobicContact CB-CD1 4.37Å; C129-L173 HydrophobicContact CB-CG 4.37Å; C129-M181 HydrophobicContact CB-CG 4.49Å; C129-M181 HydrophobicContact CB-SD 3.63Å
130	T	94	Very high	92.8	Very high	27 Å²	27	43.6 Å²	43.6	17%	0.166	26%	0.259	C	S	.	.			trans	-110.6	11.2	177.7	55.4	0	0	0	0	113.7	I128 E169 V170	I128-T130 HydrophobicContact CG1-CG2 4.49Å; I128-T130 PolarHBondContact O-N 3.02Å; T130-E169 WeakPolarHBondContact CB-OE1 3.45Å; T130-E169 HydrophobicContact CG2-CG 3.61Å; T130-E169 VanDerWaalsContact OG1-CD 3.28Å; T130-E169 WeakPolarHBondContact OG1-CG 3.44Å; T130-E169 PolarHBondContact OG1-OE1 3.46Å; T130-V170 PolarHBondContact N-O 3.43Å
131	T	95.4	Very high	92.8	Very high	22 Å²	22	40.2 Å²	40.2	14%	0.135	24%	0.237	C	C	.	.	S	Bend	trans	-65.5	161.7	176.8	62.2	0	0	0	0	112.9	C129 P133 C134 M135 E171 C172	C129-T131 PolarHBondContact SG-OG1 3.27Å; T131-P133 VanDerWaalsContact C-CD 3.46Å; T131-P133 VanDerWaalsContact C-N 3.35Å; T131-P133 VanDerWaalsContact O-N 3.12Å; T131-C134 CarbonylContact O-C 3.6Å; T131-C134 WeakPolarHBondContact O-CA 3.34Å; T131-C134 PolarHBondContact O-N 3.39Å; T131-M135 PolarHBondContact O-N 3.04Å; T131-E171 VanDerWaalsContact CG2-C 3.5Å; T131-E171 HydrophobicContact CG2-CB 4.2Å; T131-E171 WeakPolarHBondContact CG2-OE2 3.32Å; T131-C172 HydrophobicContact CG2-CB 4.06Å
132	T	96	Very high	92.9	Very high	88 Å²	88	44.3 Å²	44.3	54%	0.54	25%	0.253	S	S	.	.	H	α-helix	trans	-46	-45.3	-174.2	-46	0	0	0	0	114.8	C134 M135 L136	T132-C134 PolarHBondContact O-N 3.26Å; T132-M135 PolarHBondContact O-N 3.14Å; T132-L136 HydrophobicContact CG2-CD1 3.77Å; T132-L136 HydrophobicContact CG2-CG 4.29Å; T132-L136 WeakPolarHBondContact O-CB 3.41Å; T132-L136 WeakPolarHBondContact O-CG 3.1Å; T132-L136 PolarHBondContact O-N 2.96Å
133	P	94.6	Very high	93	Very high	59 Å²	59	47.4 Å²	47.4	38%	0.383	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-36.3	177.8	-22.9	35.7	0	0	0	113.7	T131 G137 C176	T131-P133 VanDerWaalsContact C-CD 3.46Å; T131-P133 VanDerWaalsContact C-N 3.35Å; T131-P133 VanDerWaalsContact O-N 3.12Å; P133-G137 VanDerWaalsContact O-CA 3.27Å; P133-G137 WeakPolarHBondContact O-CA 3.36Å; P133-G137 PolarHBondContact O-N 3.08Å; P133-C176 HydrophobicContact CB-CB 4.17Å
134	C	94.2	Very high	93	Very high	2 Å²	2	41 Å²	41	1%	0.014	24%	0.244	C	C	.	.	H	α-helix	trans	-79.7	-31.1	176	-73.2	0	0	0	0	112.3	C129 T131 T132 L136 G140 S141	C129-C134 HydrophobicContact CB-CB 4.28Å; C129-C134 VanDerWaalsContact O-CB 3.31Å; C129-C134 WeakPolarHBondContact O-CB 3.46Å; C129-C134 PolarHBondContact SG-SG 3.44Å; T131-C134 CarbonylContact O-C 3.6Å; T131-C134 WeakPolarHBondContact O-CA 3.34Å; T131-C134 PolarHBondContact O-N 3.39Å; T132-C134 PolarHBondContact O-N 3.26Å; C134-L136 VanDerWaalsContact C-N 3.35Å; C134-G140 CarbonylContact O-C 3.55Å; C134-S141 WeakPolarHBondContact O-CB 3.44Å; C134-S141 PolarHBondContact O-N 3.37Å
135	M	94.2	Very high	93	Very high	86 Å²	86	39.9 Å²	39.9	42%	0.424	24%	0.241	S	C	.	.	H	α-helix	trans	-64	-40.2	173.8	-170.3	-178.3	74.5	0	0	111.8	T131 T132 G140 S141	T131-M135 PolarHBondContact O-N 3.04Å; T132-M135 PolarHBondContact O-N 3.14Å; M135-G140 WeakPolarHBondContact O-CA 3.38Å; M135-S141 VanDerWaalsContact CA-OG 3.31Å; M135-S141 WeakPolarHBondContact CA-OG 3.41Å; M135-S141 PolarHBondContact N-OG 3.3Å
136	L	93.5	Very high	93	Very high	132 Å²	132	43.9 Å²	43.9	69%	0.691	26%	0.262	S	S	*	.	H	α-helix	trans	-91.6	-25.2	-179.7	-61.3	176.6	0	0	0	113.8	T132 C134	T132-L136 HydrophobicContact CG2-CD1 3.77Å; T132-L136 HydrophobicContact CG2-CG 4.29Å; T132-L136 WeakPolarHBondContact O-CB 3.41Å; T132-L136 WeakPolarHBondContact O-CG 3.1Å; T132-L136 PolarHBondContact O-N 2.96Å; C134-L136 VanDerWaalsContact C-N 3.35Å
137	G	85	Confident	92.9	Very high	18 Å²	18	44.6 Å²	44.6	19%	0.186	27%	0.268	C	S	.	.	S	Bend	trans	-81.7	141.6	-171.3	0	0	0	0	0	114	P133 V139 G140	P133-G137 VanDerWaalsContact O-CA 3.27Å; P133-G137 WeakPolarHBondContact O-CA 3.36Å; P133-G137 PolarHBondContact O-N 3.08Å; G137-V139 PolarHBondContact O-N 2.91Å; G137-G140 WeakPolarHBondContact O-CA 3.31Å; G137-G140 PolarHBondContact O-N 3.21Å
138	G	84.9	Confident	92.9	Very high	64 Å²	64	43.3 Å²	43.3	66%	0.66	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	-125.5	177.6	0	0	0	0	0	112.4	G140	G138-G140 VanDerWaalsContact C-N 3.28Å
139	V	86.9	Confident	92.9	Very high	71 Å²	71	45.8 Å²	45.8	43%	0.43	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-7.8	174.9	-60.8	0	0	0	0	113.3	G137 V143 I144 P180 L192	G137-V139 PolarHBondContact O-N 2.91Å; V139-V143 HydrophobicContact CG2-CB 4.44Å; V139-V143 WeakPolarHBondContact O-CG2 3.36Å; V139-I144 HydrophobicContact CG2-CD1 3.75Å; V139-I144 HydrophobicContact CG2-CG1 4.17Å; V139-P180 HydrophobicContact CG2-CG 3.87Å; V139-L192 WeakPolarHBondContact CG2-O 3.4Å
140	G	90	Very high	92.8	Very high	9 Å²	9	54.7 Å²	54.7	9%	0.093	31%	0.311	C	S	.	.			trans	86.3	138.1	-173.1	0	0	0	0	0	113.3	C134 M135 G137 G138 E142 V143	C134-G140 CarbonylContact O-C 3.55Å; M135-G140 WeakPolarHBondContact O-CA 3.38Å; G137-G140 WeakPolarHBondContact O-CA 3.31Å; G137-G140 PolarHBondContact O-N 3.21Å; G138-G140 VanDerWaalsContact C-N 3.28Å; G140-E142 VanDerWaalsContact C-N 3.26Å; G140-E142 PolarHBondContact O-N 3.23Å; G140-V143 PolarHBondContact O-N 2.88Å
141	S	92.1	Very high	92.7	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.007	32%	0.316	C	S	.	.	H	α-helix	trans	-62.8	-29.2	-179.6	57.8	0	0	0	0	113.4	C129 C134 M135 V143 I144 L145	C129-S141 WeakPolarHBondContact O-CB 3.49Å; C134-S141 WeakPolarHBondContact O-CB 3.44Å; C134-S141 PolarHBondContact O-N 3.37Å; M135-S141 VanDerWaalsContact CA-OG 3.31Å; M135-S141 WeakPolarHBondContact CA-OG 3.41Å; M135-S141 PolarHBondContact N-OG 3.3Å; S141-V143 VanDerWaalsContact C-N 3.3Å; S141-V143 PolarHBondContact O-N 3.4Å; S141-I144 PolarHBondContact O-N 3Å; S141-L145 WeakPolarHBondContact O-CB 3.26Å; S141-L145 PolarHBondContact O-N 3.21Å
142	E	93.8	Very high	92.6	Very high	124 Å²	124	55.7 Å²	55.7	58%	0.579	32%	0.315	S	S	*	.	H	α-helix	trans	-62.3	-37.3	176.4	-66.1	-171.4	172.2	0	0	112.2	G140 L145 N146	G140-E142 VanDerWaalsContact C-N 3.26Å; G140-E142 PolarHBondContact O-N 3.23Å; E142-L145 PolarHBondContact O-N 2.99Å; E142-N146 WeakPolarHBondContact O-CB 3.46Å; E142-N146 PolarHBondContact O-N 3.46Å; E142-N146 PolarHBondContact O-ND2 3.21Å; E142-N146 VanDerWaalsContact O-ND2 3.07Å
143	V	93	Very high	92.4	Very high	71 Å²	71	54.7 Å²	54.7	43%	0.43	32%	0.322	S	S	.	.	H	α-helix	trans	-65	-43.7	177.5	178.8	0	0	0	0	110.1	V139 G140 S141 N146 A147 A194	V139-V143 HydrophobicContact CG2-CB 4.44Å; V139-V143 WeakPolarHBondContact O-CG2 3.36Å; G140-V143 PolarHBondContact O-N 2.88Å; S141-V143 VanDerWaalsContact C-N 3.3Å; S141-V143 PolarHBondContact O-N 3.4Å; V143-N146 PolarHBondContact O-N 2.92Å; V143-A147 WeakPolarHBondContact O-CB 3.5Å; V143-A147 PolarHBondContact O-N 3.41Å; V143-A194 HydrophobicContact CG1-CB 4.4Å
144	I	93.5	Very high	92.4	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-65.9	-43.4	176.9	-54.5	-54.7	0	0	0	110.9	I128 V139 S141 N146 A147 L148 P180 L192 T193 T197	I128-I144 HydrophobicContact CD1-CB 3.98Å; I128-I144 HydrophobicContact CD1-CG2 3.8Å; V139-I144 HydrophobicContact CG2-CD1 3.75Å; V139-I144 HydrophobicContact CG2-CG1 4.17Å; S141-I144 PolarHBondContact O-N 3Å; I144-N146 VanDerWaalsContact C-N 3.35Å; I144-N146 PolarHBondContact O-N 3.25Å; I144-A147 WeakPolarHBondContact O-CB 3.33Å; I144-A147 PolarHBondContact O-N 3.41Å; I144-L148 HydrophobicContact CG2-CD1 4.2Å; I144-L148 WeakPolarHBondContact O-CG 3.31Å; I144-L148 PolarHBondContact O-N 2.91Å; I144-P180 HydrophobicContact CD1-CG 4.34Å; I144-P180 HydrophobicContact CG1-CB 4.09Å; I144-P180 HydrophobicContact CG1-CG 3.83Å; I144-L192 HydrophobicContact CD1-CB 4Å; I144-L192 HydrophobicContact CG1-CB 4.35Å; I144-L192 HydrophobicContact CG2-CD1 4.39Å; I144-T193 VanDerWaalsContact CD1-C 3.41Å; I144-T193 WeakPolarHBondContact CD1-O 3.46Å; I144-T197 HydrophobicContact CG2-CG2 4.05Å
145	L	94.5	Very high	92.3	Very high	20 Å²	20	56.8 Å²	56.8	11%	0.105	33%	0.327	C	S	.	.	H	α-helix	trans	-59.9	-46	177	-178.9	63.5	0	0	0	111.2	I128 S141 E142 A147 L148 K149 P156 L167	I128-L145 HydrophobicContact CD1-CB 3.79Å; I128-L145 HydrophobicContact CD1-CD1 4.34Å; I128-L145 HydrophobicContact CG2-CD1 3.84Å; S141-L145 WeakPolarHBondContact O-CB 3.26Å; S141-L145 PolarHBondContact O-N 3.21Å; E142-L145 PolarHBondContact O-N 2.99Å; L145-A147 VanDerWaalsContact C-N 3.32Å; L145-A147 PolarHBondContact O-N 2.83Å; L145-L148 WeakPolarHBondContact O-CB 3.44Å; L145-L148 PolarHBondContact O-N 2.78Å; L145-K149 WeakPolarHBondContact O-CG 3.17Å; L145-K149 PolarHBondContact O-N 3.12Å; L145-P156 HydrophobicContact CD1-CG 4.02Å; L145-L167 HydrophobicContact CD1-CD2 4.16Å
146	N	94.9	Very high	92.2	Very high	95 Å²	95	54.6 Å²	54.6	51%	0.508	32%	0.319	S	S	.	.	H	α-helix	trans	-64.4	-37.3	177.4	-72.2	-31.8	0	0	0	112	E142 V143 I144 K150	E142-N146 WeakPolarHBondContact O-CB 3.46Å; E142-N146 PolarHBondContact O-N 3.46Å; E142-N146 PolarHBondContact O-ND2 3.21Å; E142-N146 VanDerWaalsContact O-ND2 3.07Å; V143-N146 PolarHBondContact O-N 2.92Å; I144-N146 VanDerWaalsContact C-N 3.35Å; I144-N146 PolarHBondContact O-N 3.25Å; N146-K150 WeakPolarHBondContact O-CB 3.47Å; N146-K150 PolarHBondContact O-N 3.26Å
147	A	93.9	Very high	92	Very high	16 Å²	16	50.2 Å²	50.2	13%	0.132	31%	0.306	C	S	.	.	H	α-helix	trans	-62.9	-43.5	173.5	0	0	0	0	0	111.8	V143 I144 L145 K150 N151 A194	V143-A147 WeakPolarHBondContact O-CB 3.5Å; V143-A147 PolarHBondContact O-N 3.41Å; I144-A147 WeakPolarHBondContact O-CB 3.33Å; I144-A147 PolarHBondContact O-N 3.41Å; L145-A147 VanDerWaalsContact C-N 3.32Å; L145-A147 PolarHBondContact O-N 2.83Å; A147-K150 PolarHBondContact O-N 3.07Å; A147-N151 WeakPolarHBondContact O-CB 3.31Å; A147-N151 PolarHBondContact O-N 2.82Å; A147-A194 HydrophobicContact CB-CB 4.09Å
148	L	94.7	Very high	92.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.4	-49.5	175.6	-75.5	164.1	0	0	0	111.9	I126 I128 I144 L145 K150 N151 L152 L167 T197 L201	I126-L148 HydrophobicContact CD1-CD2 4.26Å; I126-L148 HydrophobicContact CG2-CD1 4.21Å; I126-L148 HydrophobicContact CG2-CD2 4.25Å; I128-L148 HydrophobicContact CB-CD1 4.41Å; I128-L148 HydrophobicContact CD1-CD1 3.82Å; I144-L148 HydrophobicContact CG2-CD1 4.2Å; I144-L148 WeakPolarHBondContact O-CG 3.31Å; I144-L148 PolarHBondContact O-N 2.91Å; L145-L148 WeakPolarHBondContact O-CB 3.44Å; L145-L148 PolarHBondContact O-N 2.78Å; L148-K150 VanDerWaalsContact C-N 3.33Å; L148-K150 PolarHBondContact O-N 3.04Å; L148-N151 PolarHBondContact O-N 3.2Å; L148-L152 HydrophobicContact CD2-CD1 4.38Å; L148-L152 WeakPolarHBondContact O-CB 3.2Å; L148-L152 WeakPolarHBondContact O-CG 3.39Å; L148-L152 PolarHBondContact O-N 3.41Å; L148-L167 HydrophobicContact CB-CD1 4.35Å; L148-L167 HydrophobicContact CB-CD2 4.33Å; L148-L167 HydrophobicContact CD1-CD1 3.94Å; L148-T197 HydrophobicContact CD1-CG2 4.48Å; L148-T197 HydrophobicContact CD2-CG2 3.75Å; L148-T197 HydrophobicContact CG-CG2 3.82Å; L148-L201 HydrophobicContact CD2-CD1 3.69Å; L148-L201 HydrophobicContact CD2-CD2 4.19Å; L148-L201 HydrophobicContact CD2-CG 4.35Å
149	K	94.7	Very high	92.8	Very high	53 Å²	53	53.6 Å²	53.6	23%	0.23	30%	0.303	C	S	.	.	H	α-helix	trans	-57.8	-45.9	177.3	-69.2	-175.8	-169.5	-152.7	0	111.6	L145 G153 E155 L167	L145-K149 WeakPolarHBondContact O-CG 3.17Å; L145-K149 PolarHBondContact O-N 3.12Å; K149-G153 VanDerWaalsContact O-CA 3.31Å; K149-G153 WeakPolarHBondContact O-CA 3.46Å; K149-G153 PolarHBondContact O-N 2.82Å; K149-E155 WeakPolarHBondContact CE-OE2 3.33Å; K149-E155 IonicContact NZ-OE2 3.31Å; K149-E155 PolarHBondContact NZ-OE2 3.4Å; K149-L167 HydrophobicContact CG-CD2 4.23Å
150	K	94.4	Very high	93.1	Very high	189 Å²	189	50.7 Å²	50.7	82%	0.822	29%	0.286	S	S	*	.	H	α-helix	trans	-66.3	-39.5	-179.6	-173.8	179.3	177	-175.6	0	112.6	N146 A147 L148	N146-K150 WeakPolarHBondContact O-CB 3.47Å; N146-K150 PolarHBondContact O-N 3.26Å; A147-K150 PolarHBondContact O-N 3.07Å; L148-K150 VanDerWaalsContact C-N 3.33Å; L148-K150 PolarHBondContact O-N 3.04Å
151	N	92.5	Very high	93.2	Very high	50 Å²	50	56 Å²	56	27%	0.267	32%	0.318	S	S	.	.	H	α-helix	trans	-75.5	-40.2	-178.9	-167.7	-67.5	0	0	0	112.4	A147 L148 L201 K205	A147-N151 WeakPolarHBondContact O-CB 3.31Å; A147-N151 PolarHBondContact O-N 2.82Å; L148-N151 PolarHBondContact O-N 3.2Å; N151-L201 HydrophobicContact CB-CD1 4.28Å; N151-K205 PolarHBondContact OD1-NZ 3.39Å; N151-K205 VanDerWaalsContact OD1-NZ 3.08Å
152	L	92.8	Very high	93.2	Very high	20 Å²	20	62.3 Å²	62.3	11%	0.105	35%	0.352	C	S	.	.	H	α-helix	trans	-90.4	-21.8	-175.6	-62.6	176.5	0	0	0	113.5	I126 L148 I154 T160 F165 L201	I126-L152 HydrophobicContact CD1-CD1 3.71Å; L148-L152 HydrophobicContact CD2-CD1 4.38Å; L148-L152 WeakPolarHBondContact O-CB 3.2Å; L148-L152 WeakPolarHBondContact O-CG 3.39Å; L148-L152 PolarHBondContact O-N 3.41Å; L152-I154 VanDerWaalsContact C-N 3.31Å; L152-I154 HydrophobicContact CB-CD1 4.08Å; L152-I154 HydrophobicContact CB-CG1 3.77Å; L152-I154 HydrophobicContact CD1-CD1 4.08Å; L152-I154 HydrophobicContact CD1-CG1 4.41Å; L152-I154 PolarHBondContact O-N 3.31Å; L152-T160 HydrophobicContact CB-CG2 4.28Å; L152-T160 HydrophobicContact CD2-CG2 4.31Å; L152-F165 HydrophobicContact CD1-CB 4.23Å; L152-F165 HydrophobicContact CD2-CB 4.24Å; L152-F165 HydrophobicContact CD2-CD2 3.89Å; L152-F165 HydrophobicContact CD2-CE2 4.49Å; L152-F165 HydrophobicContact CD2-CG 4.07Å; L152-L201 HydrophobicContact CD2-CD1 4.46Å; L152-L201 HydrophobicContact CG-CD1 4.45Å
153	G	93	Very high	93	Very high	67 Å²	67	63.7 Å²	63.7	69%	0.691	36%	0.356	S	S	*	.			trans	69.3	25.9	-177.1	0	0	0	0	0	113.9	K149	K149-G153 VanDerWaalsContact O-CA 3.31Å; K149-G153 WeakPolarHBondContact O-CA 3.46Å; K149-G153 PolarHBondContact O-N 2.82Å
154	I	93.6	Very high	93	Very high	9 Å²	9	63.1 Å²	63.1	5%	0.046	35%	0.349	C	S	.	.			trans	-128.4	154.7	-177.4	65.9	179.8	0	0	0	111.4	L152 Q158 T160 L167	L152-I154 VanDerWaalsContact C-N 3.31Å; L152-I154 HydrophobicContact CB-CD1 4.08Å; L152-I154 HydrophobicContact CB-CG1 3.77Å; L152-I154 HydrophobicContact CD1-CD1 4.08Å; L152-I154 HydrophobicContact CD1-CG1 4.41Å; L152-I154 PolarHBondContact O-N 3.31Å; I154-Q158 HydrophobicContact CB-CB 4.13Å; I154-T160 HydrophobicContact CD1-CG2 3.91Å; I154-T160 HydrophobicContact CG2-CG2 4.03Å; I154-L167 HydrophobicContact CD1-CB 3.76Å; I154-L167 HydrophobicContact CG1-CB 4.17Å
155	E	92.8	Very high	93.1	Very high	96 Å²	96	63.3 Å²	63.3	45%	0.449	35%	0.35	S	S	.	.			trans	-90.8	160.3	170.4	-69.4	-62.8	149.1	0	0	111.8	K149 G157 Q158	K149-E155 WeakPolarHBondContact CE-OE2 3.33Å; K149-E155 IonicContact NZ-OE2 3.31Å; K149-E155 PolarHBondContact NZ-OE2 3.4Å; E155-G157 PolarHBondContact O-N 2.81Å; E155-Q158 HydrophobicContact CB-CG 4.46Å; E155-Q158 WeakPolarHBondContact O-CB 3.23Å; E155-Q158 PolarHBondContact O-N 2.79Å
156	P	91.4	Very high	93.1	Very high	41 Å²	41	62.6 Å²	62.6	27%	0.266	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	132.2	173.1	-23.1	35.8	0	0	0	111	L145 L167 E169	L145-P156 HydrophobicContact CD1-CG 4.02Å; P156-L167 HydrophobicContact CG-CD2 4.28Å; P156-E169 HydrophobicContact CB-CB 4.33Å
157	G	89.6	Confident	93.1	Very high	40 Å²	40	58 Å²	58	41%	0.412	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	-6.9	-172.8	0	0	0	0	0	114.1	E155 L167	E155-G157 PolarHBondContact O-N 2.81Å; G157-L167 PolarHBondContact N-O 2.89Å
158	Q	92.3	Very high	93.2	Very high	102 Å²	102	58.3 Å²	58.3	48%	0.477	32%	0.323	S	S	.	.			trans	-102	160.1	179.3	-61.7	179.5	-21.7	0	0	112.1	I154 E155 T166 L167	I154-Q158 HydrophobicContact CB-CB 4.13Å; E155-Q158 HydrophobicContact CB-CG 4.46Å; E155-Q158 WeakPolarHBondContact O-CB 3.23Å; E155-Q158 PolarHBondContact O-N 2.79Å; Q158-T166 WeakPolarHBondContact O-CA 3.34Å; Q158-L167 PolarHBondContact O-N 3.33Å; Q158-L167 VanDerWaalsContact O-N 3.13Å
159	T	93.6	Very high	93.1	Very high	51 Å²	51	61.5 Å²	61.5	31%	0.313	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-113.2	142.4	174.6	-54.5	0	0	0	0	109.1	F165 T166	T159-F165 CarbonylContact C-O 3.52Å; T159-F165 VanDerWaalsContact CA-O 3.3Å; T159-F165 WeakPolarHBondContact CA-O 3.43Å; T159-F165 WeakPolarHBondContact CG2-O 3.49Å; T159-T166 WeakPolarHBondContact CG2-OG1 3.29Å; T159-T166 PolarHBondContact OG1-OG1 2.84Å
160	T	94.1	Very high	93.1	Very high	10 Å²	10	60.2 Å²	60.2	6%	0.061	33%	0.334	C	S	.	.			trans	-60.9	149.1	175.2	58.8	0	0	0	0	110.9	L152 I154 D162 K163 M164 F165	L152-T160 HydrophobicContact CB-CG2 4.28Å; L152-T160 HydrophobicContact CD2-CG2 4.31Å; I154-T160 HydrophobicContact CD1-CG2 3.91Å; I154-T160 HydrophobicContact CG2-CG2 4.03Å; T160-D162 PolarHBondContact O-N 3.22Å; T160-D162 VanDerWaalsContact O-N 3.08Å; T160-K163 PolarHBondContact O-N 3.33Å; T160-M164 PolarHBondContact OG1-N 2.82Å; T160-F165 HydrophobicContact CG2-CB 3.91Å; T160-F165 HydrophobicContact CG2-CD2 4.46Å; T160-F165 PolarHBondContact N-O 3.13Å; T160-F165 PolarHBondContact OG1-N 2.83Å; T160-F165 VanDerWaalsContact OG1-N 3.13Å
161	P	92	Very high	93.2	Very high	120 Å²	120	57.5 Å²	57.5	78%	0.779	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-31.5	178	-27.8	35.6	0	0	0	113.7	K163	P161-K163 PolarHBondContact O-N 3.48Å
162	D	92	Very high	93.4	Very high	134 Å²	134	58.6 Å²	58.6	72%	0.717	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-1	178.3	-51.7	-27.1	0	0	0	113.6	T160 M164	T160-D162 PolarHBondContact O-N 3.22Å; T160-D162 VanDerWaalsContact O-N 3.08Å; D162-M164 HydrophobicContact CB-CB 4.43Å; D162-M164 HydrophobicContact CB-CG 4.06Å; D162-M164 PolarHBondContact O-N 3.07Å; D162-M164 VanDerWaalsContact O-N 3.13Å
163	K	90.6	Very high	93.4	Very high	152 Å²	152	58.9 Å²	58.9	66%	0.661	34%	0.337	S	S	*	.	S	Bend	trans	56.5	23.1	-174.5	-57.9	-175.9	176.4	-172.7	0	114.1	G122 K123 T160 P161	G122-K163 CarbonylContact C-O 3.6Å; G122-K163 WeakPolarHBondContact CA-O 3.48Å; K123-K163 PolarHBondContact N-O 3.29Å; K123-K163 VanDerWaalsContact N-O 3.09Å; T160-K163 PolarHBondContact O-N 3.33Å; P161-K163 PolarHBondContact O-N 3.48Å
164	M	92.5	Very high	93.5	Very high	59 Å²	59	58.8 Å²	58.8	29%	0.291	34%	0.335	S	S	.	.	S	Bend	trans	-90.9	-44.1	-176.7	-74.8	-66.7	-72.9	0	0	112.6	K123 Y124 T160 D162	K123-M164 HydrophobicContact CB-SD 4.39Å; K123-M164 HydrophobicContact CD-CE 4.49Å; K123-M164 HydrophobicContact CD-SD 4.3Å; K123-M164 PolarHBondContact N-O 3.46Å; Y124-M164 HydrophobicContact CD2-CE 4.21Å; Y124-M164 HydrophobicContact CE2-CE 3.83Å; Y124-M164 PolarHBondContact N-O 3.2Å; T160-M164 PolarHBondContact OG1-N 2.82Å; D162-M164 HydrophobicContact CB-CB 4.43Å; D162-M164 HydrophobicContact CB-CG 4.06Å; D162-M164 PolarHBondContact O-N 3.07Å; D162-M164 VanDerWaalsContact O-N 3.13Å
165	F	94.9	Very high	93.6	Very high	5 Å²	5	58.8 Å²	58.8	2%	0.022	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.1	-175	-61.4	-79.4	0	0	0	111.2	Y124 I126 L152 T159 T160 L201 I204 K205	Y124-F165 HydrophobicContact CD2-CD1 4.44Å; Y124-F165 HydrophobicContact CD2-CE1 4.01Å; Y124-F165 HydrophobicContact CD2-CZ 4.4Å; Y124-F165 HydrophobicContact CG-CD1 4.39Å; Y124-F165 HydrophobicContact CG-CE1 4.11Å; Y124-F165 WeakPolarHBondContact O-CA 3.42Å; I126-F165 HydrophobicContact CD1-CB 4.13Å; I126-F165 HydrophobicContact CD1-CD1 3.64Å; I126-F165 HydrophobicContact CD1-CE1 4.45Å; I126-F165 HydrophobicContact CD1-CG 4.2Å; I126-F165 HydrophobicContact CG1-CD1 4.18Å; L152-F165 HydrophobicContact CD1-CB 4.23Å; L152-F165 HydrophobicContact CD2-CB 4.24Å; L152-F165 HydrophobicContact CD2-CD2 3.89Å; L152-F165 HydrophobicContact CD2-CE2 4.49Å; L152-F165 HydrophobicContact CD2-CG 4.07Å; T159-F165 CarbonylContact C-O 3.52Å; T159-F165 VanDerWaalsContact CA-O 3.3Å; T159-F165 WeakPolarHBondContact CA-O 3.43Å; T159-F165 WeakPolarHBondContact CG2-O 3.49Å; T160-F165 HydrophobicContact CG2-CB 3.91Å; T160-F165 HydrophobicContact CG2-CD2 4.46Å; T160-F165 PolarHBondContact N-O 3.13Å; T160-F165 PolarHBondContact OG1-N 2.83Å; T160-F165 VanDerWaalsContact OG1-N 3.13Å; F165-L201 HydrophobicContact CD1-CD2 4.42Å; F165-L201 HydrophobicContact CE1-CD2 4.16Å; F165-I204 HydrophobicContact CE1-CB 4.39Å; F165-I204 HydrophobicContact CE1-CG2 3.74Å; F165-I204 HydrophobicContact CZ-CB 4.36Å; F165-I204 HydrophobicContact CZ-CG2 3.83Å; F165-K205 HydrophobicContact CE2-CD 4.24Å; F165-K205 HydrophobicContact CE2-CG 3.59Å; F165-K205 HydrophobicContact CZ-CG 3.74Å
166	T	95	Very high	93.6	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.031	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.4	166.3	-60	0	0	0	0	108.3	V121 G122 Y124 I126 Q158 T159	V121-T166 HydrophobicContact CG1-CG2 4.3Å; G122-T166 PolarHBondContact N-OG1 2.83Å; Y124-T166 PolarHBondContact O-N 3.33Å; I126-T166 PolarHBondContact N-O 2.97Å; Q158-T166 WeakPolarHBondContact O-CA 3.34Å; T159-T166 WeakPolarHBondContact CG2-OG1 3.29Å; T159-T166 PolarHBondContact OG1-OG1 2.84Å
167	L	95.4	Very high	93.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127	177.4	179	61.3	0	0	0	108.7	I126 I128 L145 L148 K149 I154 P156 G157 Q158	I126-L167 HydrophobicContact CB-CD1 4.34Å; I126-L167 HydrophobicContact CG2-CD1 4.04Å; I128-L167 HydrophobicContact CG2-CD1 4.08Å; L145-L167 HydrophobicContact CD1-CD2 4.16Å; L148-L167 HydrophobicContact CB-CD1 4.35Å; L148-L167 HydrophobicContact CB-CD2 4.33Å; L148-L167 HydrophobicContact CD1-CD1 3.94Å; K149-L167 HydrophobicContact CG-CD2 4.23Å; I154-L167 HydrophobicContact CD1-CB 3.76Å; I154-L167 HydrophobicContact CG1-CB 4.17Å; P156-L167 HydrophobicContact CG-CD2 4.28Å; G157-L167 PolarHBondContact N-O 2.89Å; Q158-L167 PolarHBondContact O-N 3.33Å; Q158-L167 VanDerWaalsContact O-N 3.13Å
168	T	94.3	Very high	93.8	Very high	22 Å²	22	57.8 Å²	57.8	14%	0.135	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	131.8	175.5	-56.7	0	0	0	0	109.7	H125 I126 Q127 I128 V170	H125-T168 WeakPolarHBondContact NE2-CB 3.48Å; H125-T168 PolarHBondContact NE2-OG1 3.16Å; I126-T168 PolarHBondContact O-N 3.45Å; Q127-T168 WeakPolarHBondContact CA-O 3.27Å; I128-T168 PolarHBondContact N-O 3.19Å; T168-V170 HydrophobicContact CG2-CG1 4.12Å
169	E	94.1	Very high	93.8	Very high	67 Å²	67	53.2 Å²	53.2	31%	0.313	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	125	170.5	-170.5	-177.2	166.1	0	0	108.5	R27 T130 P156	R27-E169 IonicContact NH2-OE1 3.62Å; R27-E169 PolarHBondContact NH2-OE1 3.14Å; R27-E169 IonicContact NH2-OE2 2.65Å; R27-E169 PolarHBondContact NH2-OE2 3.21Å; T130-E169 WeakPolarHBondContact CB-OE1 3.45Å; T130-E169 HydrophobicContact CG2-CG 3.61Å; T130-E169 VanDerWaalsContact OG1-CD 3.28Å; T130-E169 WeakPolarHBondContact OG1-CG 3.44Å; T130-E169 PolarHBondContact OG1-OE1 3.46Å; P156-E169 HydrophobicContact CB-CB 4.33Å
170	V	94.9	Very high	93.8	Very high	26 Å²	26	51 Å²	51	16%	0.158	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	162.1	-178.9	-61	0	0	0	0	111.1	Q127 I128 C129 T130 T168 L173	Q127-V170 HydrophobicContact CB-CB 4.44Å; Q127-V170 HydrophobicContact CB-CG1 3.75Å; Q127-V170 HydrophobicContact CB-CG2 3.8Å; Q127-V170 HydrophobicContact CG-CG1 3.91Å; I128-V170 WeakPolarHBondContact O-CG2 3.5Å; I128-V170 PolarHBondContact O-N 2.95Å; C129-V170 WeakPolarHBondContact CA-O 3.35Å; T130-V170 PolarHBondContact N-O 3.43Å; T168-V170 HydrophobicContact CG2-CG1 4.12Å; V170-L173 HydrophobicContact CG2-CD1 3.74Å; V170-L173 HydrophobicContact CG2-CD2 3.94Å; V170-L173 HydrophobicContact CG2-CG 3.83Å
171	E	95.4	Very high	93.8	Very high	131 Å²	131	50.7 Å²	50.7	61%	0.612	29%	0.294	S	S	*	.	S	Bend	trans	-76.4	-160.1	176	-60.7	-58.8	149.2	0	0	111.4	C129 T131 L173	C129-E171 PolarHBondContact SG-O 3.3Å; T131-E171 VanDerWaalsContact CG2-C 3.5Å; T131-E171 HydrophobicContact CG2-CB 4.2Å; T131-E171 WeakPolarHBondContact CG2-OE2 3.32Å; E171-L173 PolarHBondContact O-N 2.88Å
172	C	96.3	Very high	93.9	Very high	74 Å²	74	45 Å²	45	50%	0.5	26%	0.256	S	S	.	.			trans	-63.3	118.6	-175	-176.9	0	0	0	0	111.7	T131 G174 C176	T131-C172 HydrophobicContact CG2-CB 4.06Å; C172-G174 PolarHBondContact SG-N 3.36Å; C172-C176 VanDerWaalsContact SG-SG 3.61Å
173	L	94.6	Very high	94.2	Very high	26 Å²	26	39.9 Å²	39.9	14%	0.136	23%	0.229	C	C	.	.			trans	-91.1	5.8	176	-65.9	179.6	0	0	0	113.9	C129 V170 E171 A175 M181 Q183 Y188	C129-L173 HydrophobicContact CB-CD1 4.37Å; C129-L173 HydrophobicContact CB-CG 4.37Å; V170-L173 HydrophobicContact CG2-CD1 3.74Å; V170-L173 HydrophobicContact CG2-CD2 3.94Å; V170-L173 HydrophobicContact CG2-CG 3.83Å; E171-L173 PolarHBondContact O-N 2.88Å; L173-A175 VanDerWaalsContact C-N 3.35Å; L173-A175 PolarHBondContact O-N 3.43Å; L173-M181 HydrophobicContact CB-CE 3.47Å; L173-M181 VanDerWaalsContact CB-CE 3.47Å; L173-M181 HydrophobicContact CB-SD 3.62Å; L173-M181 HydrophobicContact CD1-CE 3.56Å; L173-M181 HydrophobicContact CD1-SD 3.53Å; L173-M181 VanDerWaalsContact CD1-SD 3.53Å; L173-M181 HydrophobicContact CG-CE 4.15Å; L173-M181 HydrophobicContact CG-SD 4.05Å; L173-Q183 HydrophobicContact CD1-CB 3.71Å; L173-Y188 WeakPolarHBondContact O-CE2 3.4Å; L173-Y188 PolarHBondContact O-OH 2.93Å
174	G	95	Very high	94.4	Very high	64 Å²	64	32.9 Å²	32.9	66%	0.66	20%	0.198	S	C	*	.	S	Bend	trans	82.5	-1.5	173.4	0	0	0	0	0	116.3	C172 C176	C172-G174 PolarHBondContact SG-N 3.36Å; G174-C176 PolarHBondContact O-N 3.2Å
175	A	94.2	Very high	94.4	Very high	9 Å²	9	33.1 Å²	33.1	7%	0.074	20%	0.2	C	C	.	.			trans	-98	44	177.1	0	0	0	0	0	112.6	L173 V177 N178 A179 M181 Y188 E190	L173-A175 VanDerWaalsContact C-N 3.35Å; L173-A175 PolarHBondContact O-N 3.43Å; A175-V177 PolarHBondContact O-N 3.14Å; A175-N178 HydrophobicContact CB-CB 4.31Å; A175-N178 CarbonylContact O-C 3.34Å; A175-N178 WeakPolarHBondContact O-CA 3.42Å; A175-N178 WeakPolarHBondContact O-CB 3.49Å; A175-N178 PolarHBondContact O-N 3.28Å; A175-A179 PolarHBondContact O-N 2.83Å; A175-M181 HydrophobicContact CB-CE 4.04Å; A175-M181 HydrophobicContact CB-CG 4.06Å; A175-Y188 HydrophobicContact CB-CD2 4.36Å; A175-E190 HydrophobicContact CB-CG 4.09Å
176	C	94.2	Very high	94.3	Very high	53 Å²	53	37.7 Å²	37.7	36%	0.358	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-61.4	-40.3	-170.6	-57.7	0	0	0	0	113.9	P133 C172 G174 N178 A179	P133-C176 HydrophobicContact CB-CB 4.17Å; C172-C176 VanDerWaalsContact SG-SG 3.61Å; G174-C176 PolarHBondContact O-N 3.2Å; C176-N178 PolarHBondContact O-N 3.22Å; C176-A179 WeakPolarHBondContact O-CB 3.43Å; C176-A179 PolarHBondContact O-N 3.08Å
177	V	92.8	Very high	94.4	Very high	96 Å²	96	39.1 Å²	39.1	58%	0.582	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-65.4	-19.5	177.1	-70.8	0	0	0	0	112	A175 R221	A175-V177 PolarHBondContact O-N 3.14Å; V177-R221 PolarHBondContact O-NH1 3.43Å; V177-R221 PolarHBondContact O-NH2 3.47Å
178	N	92.4	Very high	94.4	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.037	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-104.3	22.6	-178.9	-72.3	99.4	0	0	0	113.3	A175 C176 E190 D191 R221 A223	A175-N178 HydrophobicContact CB-CB 4.31Å; A175-N178 CarbonylContact O-C 3.34Å; A175-N178 WeakPolarHBondContact O-CA 3.42Å; A175-N178 WeakPolarHBondContact O-CB 3.49Å; A175-N178 PolarHBondContact O-N 3.28Å; C176-N178 PolarHBondContact O-N 3.22Å; N178-E190 HydrophobicContact CB-CB 3.86Å; N178-E190 HydrophobicContact CB-CG 3.79Å; N178-E190 VanDerWaalsContact CB-OE2 3.31Å; N178-E190 WeakPolarHBondContact CB-OE2 3.4Å; N178-D191 PolarHBondContact ND2-OD2 3.42Å; N178-D191 PolarHBondContact O-N 2.9Å; N178-R221 PolarHBondContact ND2-NE 3.47Å; N178-R221 VanDerWaalsContact ND2-NE 3.19Å; N178-R221 PolarHBondContact ND2-NH2 2.7Å; N178-A223 PolarHBondContact ND2-O 2.95Å; N178-A223 PolarHBondContact OD1-O 2.63Å
179	A	91.4	Very high	94.4	Very high	7 Å²	7	42 Å²	42	6%	0.058	24%	0.242	C	C	.	.			trans	-65.4	145.6	177.1	0	0	0	0	0	113.6	A175 C176	A175-A179 PolarHBondContact O-N 2.83Å; C176-A179 WeakPolarHBondContact O-CB 3.43Å; C176-A179 PolarHBondContact O-N 3.08Å
180	P	93.5	Very high	94.5	Very high	4 Å²	4	40 Å²	40	3%	0.026	23%	0.233	C	C	.	.	S	Bend	cis	-82	153.9	-7.6	34.2	-34.5	0	0	0	111.4	V139 I144 D191 L192	V139-P180 HydrophobicContact CG2-CG 3.87Å; I144-P180 HydrophobicContact CD1-CG 4.34Å; I144-P180 HydrophobicContact CG1-CB 4.09Å; I144-P180 HydrophobicContact CG1-CG 3.83Å; P180-D191 PolarHBondContact O-N 3.5Å; P180-D191 VanDerWaalsContact O-N 3.17Å; P180-L192 HydrophobicContact CG-CB 4.33Å; P180-L192 WeakPolarHBondContact CG-O 3.47Å; P180-L192 PolarHBondContact O-N 3.4Å
181	M	94.2	Very high	94.4	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.015	23%	0.227	C	C	.	.			trans	-140.5	156.7	-175.1	62.9	77.9	65.9	0	0	111.9	C129 L173 A175 Y188 Y189 E190	C129-M181 HydrophobicContact CB-CG 4.49Å; C129-M181 HydrophobicContact CB-SD 3.63Å; L173-M181 HydrophobicContact CB-CE 3.47Å; L173-M181 VanDerWaalsContact CB-CE 3.47Å; L173-M181 HydrophobicContact CB-SD 3.62Å; L173-M181 HydrophobicContact CD1-CE 3.56Å; L173-M181 HydrophobicContact CD1-SD 3.53Å; L173-M181 VanDerWaalsContact CD1-SD 3.53Å; L173-M181 HydrophobicContact CG-CE 4.15Å; L173-M181 HydrophobicContact CG-SD 4.05Å; A175-M181 HydrophobicContact CB-CE 4.04Å; A175-M181 HydrophobicContact CB-CG 4.06Å; M181-Y188 HydrophobicContact CE-CD1 4.29Å; M181-Y188 HydrophobicContact CE-CD2 4.07Å; M181-Y188 HydrophobicContact CE-CE2 4.27Å; M181-Y188 HydrophobicContact CE-CG 4.07Å; M181-Y189 CarbonylContact C-O 3.53Å; M181-Y189 VanDerWaalsContact CA-O 3.23Å; M181-Y189 WeakPolarHBondContact CA-O 3.47Å; M181-Y189 WeakPolarHBondContact CB-O 3.44Å; M181-E190 HydrophobicContact CB-CG 4.01Å
182	M	95.4	Very high	94.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149.6	170.8	77.8	-169.9	162.8	0	0	109.3	I126 Q127 I184 Y189 L192 T197 I200	I126-M182 HydrophobicContact CG2-SD 4.27Å; Q127-M182 CarbonylContact O-C 3.55Å; Q127-M182 WeakPolarHBondContact O-CA 3.36Å; M182-I184 HydrophobicContact CE-CD1 3.93Å; M182-I184 HydrophobicContact CG-CG1 4.37Å; M182-I184 HydrophobicContact SD-CD1 4.36Å; M182-Y189 HydrophobicContact CE-CD2 4.47Å; M182-Y189 HydrophobicContact CE-CG 4.31Å; M182-Y189 PolarHBondContact N-O 3.39Å; M182-Y189 PolarHBondContact O-N 3.14Å; M182-Y189 VanDerWaalsContact O-O 3.14Å; M182-L192 HydrophobicContact CB-CD1 3.94Å; M182-L192 HydrophobicContact CE-CD1 4.02Å; M182-L192 HydrophobicContact CE-CD2 4.24Å; M182-L192 HydrophobicContact CG-CD1 3.62Å; M182-L192 HydrophobicContact SD-CD1 3.94Å; M182-T197 HydrophobicContact CE-CG2 4.22Å; M182-T197 HydrophobicContact SD-CG2 4.09Å; M182-I200 HydrophobicContact CE-CB 4.09Å; M182-I200 HydrophobicContact CE-CD1 3.8Å; M182-I200 HydrophobicContact CE-CG2 3.66Å
183	Q	96.5	Very high	94	Very high	28 Å²	28	31.6 Å²	31.6	13%	0.131	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.7	171	169.4	177.4	9.1	0	0	108.8	I126 Q127 L173 N185 D187 Y188	I126-Q183 WeakPolarHBondContact CA-O 3.39Å; Q127-Q183 HydrophobicContact CB-CB 4.18Å; Q127-Q183 PolarHBondContact N-O 3.46Å; Q127-Q183 PolarHBondContact O-N 3.33Å; L173-Q183 HydrophobicContact CD1-CB 3.71Å; Q183-N185 VanDerWaalsContact CG-O 3.23Å; Q183-N185 WeakPolarHBondContact CG-O 3.37Å; Q183-N185 PolarHBondContact NE2-O 3.26Å; Q183-D187 WeakPolarHBondContact CA-O 3.42Å; Q183-Y188 HydrophobicContact CB-CD1 3.86Å; Q183-Y188 HydrophobicContact CB-CE1 3.99Å; Q183-Y188 HydrophobicContact CG-CD1 3.92Å; Q183-Y188 HydrophobicContact CG-CE1 3.91Å
184	I	95.7	Very high	93.9	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	111	170.3	-53.5	179.1	0	0	0	107.1	Y124 H125 I126 M182 D186 D187 Y189 I200 I204	Y124-I184 HydrophobicContact CD1-CG2 3.94Å; Y124-I184 HydrophobicContact CG-CG2 4.39Å; H125-I184 WeakPolarHBondContact O-CA 3.24Å; I126-I184 HydrophobicContact CG1-CD1 4.47Å; I126-I184 HydrophobicContact CG1-CG1 4.24Å; M182-I184 HydrophobicContact CE-CD1 3.93Å; M182-I184 HydrophobicContact CG-CG1 4.37Å; M182-I184 HydrophobicContact SD-CD1 4.36Å; I184-D186 PolarHBondContact O-N 3.37Å; I184-D186 VanDerWaalsContact O-N 3.12Å; I184-D187 PolarHBondContact N-O 2.9Å; I184-D187 PolarHBondContact O-N 2.96Å; I184-Y189 HydrophobicContact CB-CD2 4.22Å; I184-Y189 HydrophobicContact CB-CE2 3.88Å; I184-Y189 HydrophobicContact CD1-CD2 3.92Å; I184-Y189 HydrophobicContact CD1-CE2 3.88Å; I184-Y189 HydrophobicContact CG1-CD2 3.88Å; I184-Y189 HydrophobicContact CG1-CE2 3.95Å; I184-I200 HydrophobicContact CD1-CG2 3.86Å; I184-I204 HydrophobicContact CD1-CD1 3.43Å; I184-I204 VanDerWaalsContact CD1-CD1 3.43Å; I184-I204 HydrophobicContact CG2-CD1 4.28Å
185	N	92.6	Very high	93.7	Very high	63 Å²	63	34.8 Å²	34.8	34%	0.337	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	-112.8	-170.7	-61.2	-21.9	0	0	0	111.3	K123 H125 Q183	K123-N185 PolarHBondContact O-ND2 3.47Å; K123-N185 VanDerWaalsContact O-ND2 3.1Å; H125-N185 PolarHBondContact N-OD1 3.4Å; H125-N185 PolarHBondContact O-N 3.3Å; H125-N185 VanDerWaalsContact O-N 3.07Å; Q183-N185 VanDerWaalsContact CG-O 3.23Å; Q183-N185 WeakPolarHBondContact CG-O 3.37Å; Q183-N185 PolarHBondContact NE2-O 3.26Å
186	D	93.2	Very high	93.6	Very high	101 Å²	101	35.4 Å²	35.4	54%	0.54	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-11.8	-179.8	-69.4	-51.6	0	0	0	113.2	R82 I184	R82-D186 IonicContact CZ-OD1 2.82Å; R82-D186 IonicContact CZ-OD2 3.36Å; R82-D186 IonicContact NH1-OD1 3.6Å; R82-D186 PolarHBondContact NH1-OD1 2.95Å; R82-D186 IonicContact NH1-OD2 3.75Å; R82-D186 PolarHBondContact NH1-OD2 3.22Å; R82-D186 IonicContact NH2-OD1 2.81Å; R82-D186 PolarHBondContact NH2-OD1 3.42Å; R82-D186 IonicContact NH2-OD2 3.66Å; I184-D186 PolarHBondContact O-N 3.37Å; I184-D186 VanDerWaalsContact O-N 3.12Å
187	D	95.9	Very high	93.5	Very high	35 Å²	35	32.9 Å²	32.9	19%	0.187	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	131.6	-168.7	-65.6	-60.8	0	0	0	111.8	Q183 I184 Y189 K209 P212	Q183-D187 WeakPolarHBondContact CA-O 3.42Å; I184-D187 PolarHBondContact N-O 2.9Å; I184-D187 PolarHBondContact O-N 2.96Å; D187-Y189 HydrophobicContact CB-CE2 3.87Å; D187-K209 IonicContact OD1-NZ 2.7Å; D187-K209 PolarHBondContact OD1-NZ 3.42Å; D187-K209 VanDerWaalsContact OD1-NZ 3.1Å; D187-K209 WeakPolarHBondContact OD2-CE 3.4Å; D187-K209 IonicContact OD2-NZ 2.97Å; D187-K209 PolarHBondContact OD2-NZ 2.88Å; D187-P212 HydrophobicContact CB-CB 4.13Å
188	Y	96.2	Very high	93.6	Very high	80 Å²	80	31.1 Å²	31.1	31%	0.314	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.7	173.1	-75	7	0	0	0	110.8	L173 A175 M181 Q183 P212 G213	L173-Y188 WeakPolarHBondContact O-CE2 3.4Å; L173-Y188 PolarHBondContact O-OH 2.93Å; A175-Y188 HydrophobicContact CB-CD2 4.36Å; M181-Y188 HydrophobicContact CE-CD1 4.29Å; M181-Y188 HydrophobicContact CE-CD2 4.07Å; M181-Y188 HydrophobicContact CE-CE2 4.27Å; M181-Y188 HydrophobicContact CE-CG 4.07Å; Q183-Y188 HydrophobicContact CB-CD1 3.86Å; Q183-Y188 HydrophobicContact CB-CE1 3.99Å; Q183-Y188 HydrophobicContact CG-CD1 3.92Å; Q183-Y188 HydrophobicContact CG-CE1 3.91Å; Y188-P212 CarbonylContact O-C 3.56Å; Y188-P212 WeakPolarHBondContact O-CA 3.46Å; Y188-G213 PolarHBondContact O-N 2.97Å
189	Y	95.2	Very high	93.6	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.3	171	-63.6	-80.7	0	0	0	108.2	M181 M182 I184 D187 L192 I200 P210 K211	M181-Y189 CarbonylContact C-O 3.53Å; M181-Y189 VanDerWaalsContact CA-O 3.23Å; M181-Y189 WeakPolarHBondContact CA-O 3.47Å; M181-Y189 WeakPolarHBondContact CB-O 3.44Å; M182-Y189 HydrophobicContact CE-CD2 4.47Å; M182-Y189 HydrophobicContact CE-CG 4.31Å; M182-Y189 PolarHBondContact N-O 3.39Å; M182-Y189 PolarHBondContact O-N 3.14Å; M182-Y189 VanDerWaalsContact O-O 3.14Å; I184-Y189 HydrophobicContact CB-CD2 4.22Å; I184-Y189 HydrophobicContact CB-CE2 3.88Å; I184-Y189 HydrophobicContact CD1-CD2 3.92Å; I184-Y189 HydrophobicContact CD1-CE2 3.88Å; I184-Y189 HydrophobicContact CG1-CD2 3.88Å; I184-Y189 HydrophobicContact CG1-CE2 3.95Å; D187-Y189 HydrophobicContact CB-CE2 3.87Å; Y189-L192 WeakPolarHBondContact O-CD1 3.38Å; Y189-I200 HydrophobicContact CD1-CD1 3.85Å; Y189-I200 HydrophobicContact CD1-CG1 4.3Å; Y189-I200 HydrophobicContact CD1-CG2 4.27Å; Y189-I200 HydrophobicContact CE1-CG2 4.3Å; Y189-I200 HydrophobicContact CG-CD1 4.15Å; Y189-I200 HydrophobicContact CG-CG2 4.39Å; Y189-P210 HydrophobicContact CE1-CB 3.73Å; Y189-P210 HydrophobicContact CE1-CG 3.78Å; Y189-P210 WeakPolarHBondContact OH-CG 3.26Å; Y189-P210 PolarHBondContact OH-O 3.39Å; Y189-K211 WeakPolarHBondContact CE1-O 3.31Å
190	E	94.4	Very high	93.7	Very high	25 Å²	25	35 Å²	35	12%	0.117	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	164.6	-162.6	-81.4	172.2	-156.2	0	0	111.4	A175 N178 M181 L192 G213 P214 Q215	A175-E190 HydrophobicContact CB-CG 4.09Å; N178-E190 HydrophobicContact CB-CB 3.86Å; N178-E190 HydrophobicContact CB-CG 3.79Å; N178-E190 VanDerWaalsContact CB-OE2 3.31Å; N178-E190 WeakPolarHBondContact CB-OE2 3.4Å; M181-E190 HydrophobicContact CB-CG 4.01Å; E190-L192 PolarHBondContact O-N 3.14Å; E190-G213 PolarHBondContact N-O 2.93Å; E190-G213 VanDerWaalsContact N-O 3.09Å; E190-P214 HydrophobicContact CB-CB 4.47Å; E190-P214 HydrophobicContact CB-CG 4.29Å; E190-P214 CarbonylContact O-C 3.57Å; E190-Q215 WeakPolarHBondContact O-CB 3.31Å; E190-Q215 WeakPolarHBondContact O-CG 3.36Å; E190-Q215 PolarHBondContact O-N 3.36Å
191	D	92.8	Very high	93.7	Very high	9 Å²	9	34.8 Å²	34.8	5%	0.048	17%	0.171	C	C	.	.	S	Bend	trans	51.2	42.9	-179.3	-80.6	-66.6	0	0	0	113.8	N178 P180 P214 R221 K227	N178-D191 PolarHBondContact ND2-OD2 3.42Å; N178-D191 PolarHBondContact O-N 2.9Å; P180-D191 PolarHBondContact O-N 3.5Å; P180-D191 VanDerWaalsContact O-N 3.17Å; D191-P214 HydrophobicContact CB-CB 4.31Å; D191-R221 IonicContact OD1-CZ 3.11Å; D191-R221 IonicContact OD1-NE 2.7Å; D191-R221 IonicContact OD1-NH2 2.81Å; D191-R221 PolarHBondContact OD1-NH2 3.34Å; D191-R221 IonicContact OD2-CZ 2.82Å; D191-R221 IonicContact OD2-NE 3.53Å; D191-R221 PolarHBondContact OD2-NE 2.8Å; D191-R221 IonicContact OD2-NH2 2.84Å; D191-R221 PolarHBondContact OD2-NH2 3.19Å; D191-K227 VanDerWaalsContact OD1-CE 3.26Å; D191-K227 WeakPolarHBondContact OD1-CE 3.19Å; D191-K227 IonicContact OD1-NZ 3.68Å; D191-K227 PolarHBondContact OD1-NZ 2.99Å
192	L	92.1	Very high	93.7	Very high	2 Å²	2	40 Å²	40	1%	0.01	20%	0.195	C	C	.	.			trans	-73.9	141	-170.7	-65.3	170.7	0	0	0	112.6	V139 I144 P180 M182 Y189 E190 D196 I200 Q215	V139-L192 WeakPolarHBondContact CG2-O 3.4Å; I144-L192 HydrophobicContact CD1-CB 4Å; I144-L192 HydrophobicContact CG1-CB 4.35Å; I144-L192 HydrophobicContact CG2-CD1 4.39Å; P180-L192 HydrophobicContact CG-CB 4.33Å; P180-L192 WeakPolarHBondContact CG-O 3.47Å; P180-L192 PolarHBondContact O-N 3.4Å; M182-L192 HydrophobicContact CB-CD1 3.94Å; M182-L192 HydrophobicContact CE-CD1 4.02Å; M182-L192 HydrophobicContact CE-CD2 4.24Å; M182-L192 HydrophobicContact CG-CD1 3.62Å; M182-L192 HydrophobicContact SD-CD1 3.94Å; Y189-L192 WeakPolarHBondContact O-CD1 3.38Å; E190-L192 PolarHBondContact O-N 3.14Å; L192-D196 HydrophobicContact CD2-CB 4.3Å; L192-I200 HydrophobicContact CD2-CD1 3.64Å; L192-Q215 HydrophobicContact CD2-CB 4.1Å; L192-Q215 HydrophobicContact CD2-CG 3.58Å
193	T	91.8	Very high	93.6	Very high	43 Å²	43	43 Å²	43	26%	0.264	21%	0.209	S	C	.	.			trans	-104.7	170	157.8	64.5	0	0	0	0	110.1	I144 E195 D196 T197	I144-T193 VanDerWaalsContact CD1-C 3.41Å; I144-T193 WeakPolarHBondContact CD1-O 3.46Å; T193-E195 WeakPolarHBondContact CB-OE2 3.48Å; T193-E195 PolarHBondContact O-N 2.74Å; T193-E195 PolarHBondContact OG1-OE2 3.06Å; T193-D196 PolarHBondContact N-OD2 3.1Å; T193-D196 PolarHBondContact O-N 3.41Å; T193-D196 WeakPolarHBondContact OG1-CB 3.2Å; T193-D196 PolarHBondContact OG1-N 2.94Å; T193-D196 PolarHBondContact OG1-OD2 2.88Å; T193-T197 WeakPolarHBondContact O-CB 3.46Å; T193-T197 PolarHBondContact O-N 2.83Å; T193-T197 PolarHBondContact O-OG1 2.96Å
194	A	92.2	Very high	93.5	Very high	21 Å²	21	41.9 Å²	41.9	17%	0.174	20%	0.204	C	C	.	.	H	α-helix	trans	-63.3	-36.8	176.1	0	0	0	0	0	110.8	V143 A147 T197 I198	V143-A194 HydrophobicContact CG1-CB 4.4Å; A147-A194 HydrophobicContact CB-CB 4.09Å; A194-T197 PolarHBondContact O-N 2.65Å; A194-I198 WeakPolarHBondContact O-CG1 3.37Å; A194-I198 PolarHBondContact O-N 3.37Å; A194-I198 VanDerWaalsContact O-N 3.14Å
195	E	92.1	Very high	93.3	Very high	136 Å²	136	46.6 Å²	46.6	64%	0.636	22%	0.224	S	C	*	.	H	α-helix	trans	-67.3	-47.2	178	-61.3	73.9	-161.6	0	0	111.5	T193 T197 I198 R199	T193-E195 WeakPolarHBondContact CB-OE2 3.48Å; T193-E195 PolarHBondContact O-N 2.74Å; T193-E195 PolarHBondContact OG1-OE2 3.06Å; E195-T197 VanDerWaalsContact C-N 3.26Å; E195-T197 PolarHBondContact O-N 3.47Å; E195-I198 PolarHBondContact O-N 3.05Å; E195-R199 PolarHBondContact O-N 3.45Å
196	D	91.8	Very high	93.4	Very high	22 Å²	22	46.9 Å²	46.9	12%	0.118	24%	0.236	C	C	.	.	H	α-helix	trans	-59.2	-41.4	176.1	-71.4	-51.4	0	0	0	111.1	L192 T193 R199 I200 Q215	L192-D196 HydrophobicContact CD2-CB 4.3Å; T193-D196 PolarHBondContact N-OD2 3.1Å; T193-D196 PolarHBondContact O-N 3.41Å; T193-D196 WeakPolarHBondContact OG1-CB 3.2Å; T193-D196 PolarHBondContact OG1-N 2.94Å; T193-D196 PolarHBondContact OG1-OD2 2.88Å; D196-R199 PolarHBondContact O-N 3.17Å; D196-R199 IonicContact OD1-CZ 3.8Å; D196-R199 IonicContact OD1-NH1 3.76Å; D196-R199 IonicContact OD1-NH2 2.68Å; D196-R199 PolarHBondContact OD1-NH2 2.8Å; D196-I200 WeakPolarHBondContact O-CB 3.39Å; D196-I200 VanDerWaalsContact O-CD1 3.31Å; D196-I200 WeakPolarHBondContact O-CD1 3.43Å; D196-I200 WeakPolarHBondContact O-CG1 3.49Å; D196-I200 PolarHBondContact O-N 2.97Å; D196-Q215 HydrophobicContact CB-CB 4.06Å
197	T	92.5	Very high	93.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-47.5	178.2	-54.9	0	0	0	0	111.4	I144 L148 M182 T193 A194 E195 I200 L201	I144-T197 HydrophobicContact CG2-CG2 4.05Å; L148-T197 HydrophobicContact CD1-CG2 4.48Å; L148-T197 HydrophobicContact CD2-CG2 3.75Å; L148-T197 HydrophobicContact CG-CG2 3.82Å; M182-T197 HydrophobicContact CE-CG2 4.22Å; M182-T197 HydrophobicContact SD-CG2 4.09Å; T193-T197 WeakPolarHBondContact O-CB 3.46Å; T193-T197 PolarHBondContact O-N 2.83Å; T193-T197 PolarHBondContact O-OG1 2.96Å; A194-T197 PolarHBondContact O-N 2.65Å; E195-T197 VanDerWaalsContact C-N 3.26Å; E195-T197 PolarHBondContact O-N 3.47Å; T197-I200 PolarHBondContact O-N 3.43Å; T197-L201 WeakPolarHBondContact O-CG 3.27Å; T197-L201 PolarHBondContact O-N 3.48Å; T197-L201 VanDerWaalsContact O-N 3.14Å
198	I	93	Very high	93.1	Very high	59 Å²	59	49.9 Å²	49.9	30%	0.303	26%	0.26	S	S	.	.	H	α-helix	trans	-62.7	-46.2	177.9	-68.8	166.9	0	0	0	110.6	A194 E195 I200 L201 E202	A194-I198 WeakPolarHBondContact O-CG1 3.37Å; A194-I198 PolarHBondContact O-N 3.37Å; A194-I198 VanDerWaalsContact O-N 3.14Å; E195-I198 PolarHBondContact O-N 3.05Å; I198-I200 VanDerWaalsContact C-N 3.34Å; I198-I200 PolarHBondContact O-N 3.4Å; I198-L201 PolarHBondContact O-N 2.91Å; I198-E202 HydrophobicContact CG2-CG 4.44Å; I198-E202 WeakPolarHBondContact CG2-OE1 3.34Å; I198-E202 WeakPolarHBondContact O-CG 3.45Å; I198-E202 PolarHBondContact O-N 3.36Å
199	R	93.7	Very high	92.9	Very high	95 Å²	95	53.1 Å²	53.1	36%	0.358	28%	0.276	S	S	.	.	H	α-helix	trans	-55.6	-48.1	177	179.3	-171.7	65.1	-168.5	-8.2	111.5	E195 D196 L201 E202 E203	E195-R199 PolarHBondContact O-N 3.45Å; D196-R199 PolarHBondContact O-N 3.17Å; D196-R199 IonicContact OD1-CZ 3.8Å; D196-R199 IonicContact OD1-NH1 3.76Å; D196-R199 IonicContact OD1-NH2 2.68Å; D196-R199 PolarHBondContact OD1-NH2 2.8Å; R199-L201 VanDerWaalsContact C-N 3.33Å; R199-L201 PolarHBondContact O-N 3.41Å; R199-E202 PolarHBondContact O-N 2.62Å; R199-E203 HydrophobicContact CG-CG 4.49Å; R199-E203 WeakPolarHBondContact O-CG 3.23Å; R199-E203 PolarHBondContact O-N 2.86Å
200	I	93.9	Very high	92.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.7	-43.9	-179.8	-71.7	160.1	0	0	0	110.9	M182 I184 Y189 L192 D196 T197 I198 E203 I204 P210 Q215	M182-I200 HydrophobicContact CE-CB 4.09Å; M182-I200 HydrophobicContact CE-CD1 3.8Å; M182-I200 HydrophobicContact CE-CG2 3.66Å; I184-I200 HydrophobicContact CD1-CG2 3.86Å; Y189-I200 HydrophobicContact CD1-CD1 3.85Å; Y189-I200 HydrophobicContact CD1-CG1 4.3Å; Y189-I200 HydrophobicContact CD1-CG2 4.27Å; Y189-I200 HydrophobicContact CE1-CG2 4.3Å; Y189-I200 HydrophobicContact CG-CD1 4.15Å; Y189-I200 HydrophobicContact CG-CG2 4.39Å; L192-I200 HydrophobicContact CD2-CD1 3.64Å; D196-I200 WeakPolarHBondContact O-CB 3.39Å; D196-I200 VanDerWaalsContact O-CD1 3.31Å; D196-I200 WeakPolarHBondContact O-CD1 3.43Å; D196-I200 WeakPolarHBondContact O-CG1 3.49Å; D196-I200 PolarHBondContact O-N 2.97Å; T197-I200 PolarHBondContact O-N 3.43Å; I198-I200 VanDerWaalsContact C-N 3.34Å; I198-I200 PolarHBondContact O-N 3.4Å; I200-E203 PolarHBondContact O-N 2.87Å; I200-I204 HydrophobicContact CG2-CD1 3.81Å; I200-I204 VanDerWaalsContact O-CG1 3.24Å; I200-I204 WeakPolarHBondContact O-CG1 3.43Å; I200-I204 PolarHBondContact O-N 2.92Å; I200-P210 HydrophobicContact CB-CG 4.45Å; I200-P210 HydrophobicContact CG1-CB 4.33Å; I200-P210 HydrophobicContact CG2-CB 4.41Å; I200-P210 HydrophobicContact CG2-CG 3.79Å; I200-Q215 HydrophobicContact CD1-CG 3.69Å
201	L	93.3	Very high	92.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64.5	-41.2	177.5	-64.5	171.1	0	0	0	112.3	I126 L148 N151 L152 F165 T197 I198 R199 I204 K205	I126-L201 HydrophobicContact CD1-CD2 3.6Å; L148-L201 HydrophobicContact CD2-CD1 3.69Å; L148-L201 HydrophobicContact CD2-CD2 4.19Å; L148-L201 HydrophobicContact CD2-CG 4.35Å; N151-L201 HydrophobicContact CB-CD1 4.28Å; L152-L201 HydrophobicContact CD2-CD1 4.46Å; L152-L201 HydrophobicContact CG-CD1 4.45Å; F165-L201 HydrophobicContact CD1-CD2 4.42Å; F165-L201 HydrophobicContact CE1-CD2 4.16Å; T197-L201 WeakPolarHBondContact O-CG 3.27Å; T197-L201 PolarHBondContact O-N 3.48Å; T197-L201 VanDerWaalsContact O-N 3.14Å; I198-L201 PolarHBondContact O-N 2.91Å; R199-L201 VanDerWaalsContact C-N 3.33Å; R199-L201 PolarHBondContact O-N 3.41Å; L201-I204 PolarHBondContact O-N 2.66Å; L201-K205 WeakPolarHBondContact O-CB 3.43Å; L201-K205 VanDerWaalsContact O-CG 3.26Å; L201-K205 WeakPolarHBondContact O-CG 3.46Å; L201-K205 PolarHBondContact O-N 3.26Å
202	E	93.4	Very high	92.5	Very high	112 Å²	112	61.6 Å²	61.6	52%	0.523	32%	0.319	S	S	.	.	H	α-helix	trans	-65.9	-41.1	177.5	-72.6	176.8	179.2	0	0	111.9	I198 R199 I204 K205 A206	I198-E202 HydrophobicContact CG2-CG 4.44Å; I198-E202 WeakPolarHBondContact CG2-OE1 3.34Å; I198-E202 WeakPolarHBondContact O-CG 3.45Å; I198-E202 PolarHBondContact O-N 3.36Å; R199-E202 PolarHBondContact O-N 2.62Å; E202-I204 PolarHBondContact O-N 3.43Å; E202-K205 PolarHBondContact O-N 2.81Å; E202-A206 WeakPolarHBondContact O-CB 2.88Å; E202-A206 PolarHBondContact O-N 3.09Å
203	E	93.7	Very high	92.5	Very high	62 Å²	62	62.2 Å²	62.2	29%	0.29	33%	0.325	S	S	.	.	H	α-helix	trans	-61.7	-43.3	174.1	-75.2	-176.4	-162.7	0	0	111.8	R199 I200 A206 G207 K208 P210	R199-E203 HydrophobicContact CG-CG 4.49Å; R199-E203 WeakPolarHBondContact O-CG 3.23Å; R199-E203 PolarHBondContact O-N 2.86Å; I200-E203 PolarHBondContact O-N 2.87Å; E203-A206 CarbonylContact O-C 3.59Å; E203-A206 PolarHBondContact O-N 2.98Å; E203-G207 PolarHBondContact O-N 2.82Å; E203-K208 HydrophobicContact CB-CB 4.28Å; E203-K208 WeakPolarHBondContact O-CB 3.41Å; E203-K208 PolarHBondContact O-N 2.89Å; E203-P210 HydrophobicContact CB-CG 4.46Å; E203-P210 WeakPolarHBondContact OE2-CB 3.35Å
204	I	94.1	Very high	92.5	Very high	5 Å²	5	61.3 Å²	61.3	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-65.6	-42	176.4	-67.7	166.7	0	0	0	111.1	Y124 F165 I184 I200 L201 E202 A206 G207 P210	Y124-I204 HydrophobicContact CD1-CG2 3.8Å; Y124-I204 HydrophobicContact CD2-CG2 3.6Å; Y124-I204 HydrophobicContact CE1-CG2 3.64Å; Y124-I204 HydrophobicContact CE2-CG2 3.45Å; Y124-I204 VanDerWaalsContact CE2-CG2 3.45Å; Y124-I204 HydrophobicContact CG-CG2 3.78Å; Y124-I204 VanDerWaalsContact CZ-CG2 3.47Å; F165-I204 HydrophobicContact CE1-CB 4.39Å; F165-I204 HydrophobicContact CE1-CG2 3.74Å; F165-I204 HydrophobicContact CZ-CB 4.36Å; F165-I204 HydrophobicContact CZ-CG2 3.83Å; I184-I204 HydrophobicContact CD1-CD1 3.43Å; I184-I204 VanDerWaalsContact CD1-CD1 3.43Å; I184-I204 HydrophobicContact CG2-CD1 4.28Å; I200-I204 HydrophobicContact CG2-CD1 3.81Å; I200-I204 VanDerWaalsContact O-CG1 3.24Å; I200-I204 WeakPolarHBondContact O-CG1 3.43Å; I200-I204 PolarHBondContact O-N 2.92Å; L201-I204 PolarHBondContact O-N 2.66Å; E202-I204 PolarHBondContact O-N 3.43Å; I204-A206 PolarHBondContact O-N 2.79Å; I204-G207 PolarHBondContact O-N 2.68Å; I204-P210 HydrophobicContact CD1-CG 3.98Å; I204-P210 HydrophobicContact CG1-CG 3.69Å
205	K	92	Very high	92.3	Very high	104 Å²	104	61.1 Å²	61.1	45%	0.452	32%	0.316	S	S	.	.	H	α-helix	trans	-60.2	-35.6	173.9	-76.7	172.4	-177.2	175.1	0	111.7	N151 F165 L201 E202 G207	N151-K205 PolarHBondContact OD1-NZ 3.39Å; N151-K205 VanDerWaalsContact OD1-NZ 3.08Å; F165-K205 HydrophobicContact CE2-CD 4.24Å; F165-K205 HydrophobicContact CE2-CG 3.59Å; F165-K205 HydrophobicContact CZ-CG 3.74Å; L201-K205 WeakPolarHBondContact O-CB 3.43Å; L201-K205 VanDerWaalsContact O-CG 3.26Å; L201-K205 WeakPolarHBondContact O-CG 3.46Å; L201-K205 PolarHBondContact O-N 3.26Å; E202-K205 PolarHBondContact O-N 2.81Å; K205-G207 PolarHBondContact O-N 2.77Å
206	A	93.5	Very high	91.2	Very high	70 Å²	70	56.2 Å²	56.2	58%	0.579	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	2	174.3	0	0	0	0	0	114	E202 E203 I204 K208	E202-A206 WeakPolarHBondContact O-CB 2.88Å; E202-A206 PolarHBondContact O-N 3.09Å; E203-A206 CarbonylContact O-C 3.59Å; E203-A206 PolarHBondContact O-N 2.98Å; I204-A206 PolarHBondContact O-N 2.79Å; A206-K208 VanDerWaalsContact C-N 3.29Å; A206-K208 PolarHBondContact O-N 3.26Å
207	G	91.6	Very high	89.3	Confident	63 Å²	63	57.6 Å²	57.6	65%	0.649	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	11.5	-179.5	0	0	0	0	0	114.4	E203 I204 K205	E203-G207 PolarHBondContact O-N 2.82Å; I204-G207 PolarHBondContact O-N 2.68Å; K205-G207 PolarHBondContact O-N 2.77Å
208	K	92.6	Very high	87.3	Confident	136 Å²	136	67.2 Å²	67.2	59%	0.591	36%	0.361	S	S	*	.			trans	-84.6	155.3	173.6	-59.9	176.9	-178.7	175.3	0	109.6	E203 A206 P210	E203-K208 HydrophobicContact CB-CB 4.28Å; E203-K208 WeakPolarHBondContact O-CB 3.41Å; E203-K208 PolarHBondContact O-N 2.89Å; A206-K208 VanDerWaalsContact C-N 3.29Å; A206-K208 PolarHBondContact O-N 3.26Å; K208-P210 WeakPolarHBondContact O-CD 3.44Å
209	K	90.6	Very high	85.5	Confident	147 Å²	147	68.2 Å²	68.2	64%	0.639	39%	0.386	S	S	*	.			trans	-103.4	103	171.5	-173.5	173.1	178.9	169.7	0	108.8	D187	D187-K209 IonicContact OD1-NZ 2.7Å; D187-K209 PolarHBondContact OD1-NZ 3.42Å; D187-K209 VanDerWaalsContact OD1-NZ 3.1Å; D187-K209 WeakPolarHBondContact OD2-CE 3.4Å; D187-K209 IonicContact OD2-NZ 2.97Å; D187-K209 PolarHBondContact OD2-NZ 2.88Å
210	P	90.4	Very high	84.4	Confident	4 Å²	4	65.1 Å²	65.1	3%	0.026	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-64.2	149.6	177.8	15.1	-16.3	0	0	0	110.4	Y189 I200 E203 I204 K208 P212	Y189-P210 HydrophobicContact CE1-CB 3.73Å; Y189-P210 HydrophobicContact CE1-CG 3.78Å; Y189-P210 WeakPolarHBondContact OH-CG 3.26Å; Y189-P210 PolarHBondContact OH-O 3.39Å; I200-P210 HydrophobicContact CB-CG 4.45Å; I200-P210 HydrophobicContact CG1-CB 4.33Å; I200-P210 HydrophobicContact CG2-CB 4.41Å; I200-P210 HydrophobicContact CG2-CG 3.79Å; E203-P210 HydrophobicContact CB-CG 4.46Å; E203-P210 WeakPolarHBondContact OE2-CB 3.35Å; I204-P210 HydrophobicContact CD1-CG 3.98Å; I204-P210 HydrophobicContact CG1-CG 3.69Å; K208-P210 WeakPolarHBondContact O-CD 3.44Å; P210-P212 WeakPolarHBondContact O-CD 3.38Å
211	K	91.5	Very high	84	Confident	154 Å²	154	66.2 Å²	66.2	67%	0.67	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-64.3	122.9	-176.1	-177.1	-177.7	174.8	-173.4	0	110.2	Y189 Q215	Y189-K211 WeakPolarHBondContact CE1-O 3.31Å; K211-Q215 PolarHBondContact O-NE2 3.21Å
212	P	93	Very high	83.8	Confident	59 Å²	59	73.9 Å²	73.9	38%	0.383	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-69	150.9	173.3	28.4	-33.5	0	0	0	111.4	D187 Y188 P210	D187-P212 HydrophobicContact CB-CB 4.13Å; Y188-P212 CarbonylContact O-C 3.56Å; Y188-P212 WeakPolarHBondContact O-CA 3.46Å; P210-P212 WeakPolarHBondContact O-CD 3.38Å
213	G	91.9	Very high	83.6	Confident	15 Å²	15	71 Å²	71	16%	0.155	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	107.9	-165.9	-177.1	0	0	0	0	0	113.5	Y188 E190 Q215	Y188-G213 PolarHBondContact O-N 2.97Å; E190-G213 PolarHBondContact N-O 2.93Å; E190-G213 VanDerWaalsContact N-O 3.09Å; G213-Q215 PolarHBondContact O-N 3.44Å; G213-Q215 PolarHBondContact O-NE2 2.67Å
214	P	91.8	Very high	83.5	Confident	24 Å²	24	71.9 Å²	71.9	16%	0.156	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	128.9	-179	-27	35.9	0	0	0	112.7	E190 D191 F222 A223	E190-P214 HydrophobicContact CB-CB 4.47Å; E190-P214 HydrophobicContact CB-CG 4.29Å; E190-P214 CarbonylContact O-C 3.57Å; D191-P214 HydrophobicContact CB-CB 4.31Å; P214-F222 WeakPolarHBondContact CD-O 3.45Å; P214-A223 WeakPolarHBondContact CG-O 3.32Å
215	Q	88.4	Confident	83.4	Confident	16 Å²	16	73.5 Å²	73.5	8%	0.075	44%	0.437	C	S	.	.			trans	-91.8	-10.8	-178.7	-62	-59.8	-58	0	0	113.3	E190 L192 D196 I200 K211 G213 G217	E190-Q215 WeakPolarHBondContact O-CB 3.31Å; E190-Q215 WeakPolarHBondContact O-CG 3.36Å; E190-Q215 PolarHBondContact O-N 3.36Å; L192-Q215 HydrophobicContact CD2-CB 4.1Å; L192-Q215 HydrophobicContact CD2-CG 3.58Å; D196-Q215 HydrophobicContact CB-CB 4.06Å; I200-Q215 HydrophobicContact CD1-CG 3.69Å; K211-Q215 PolarHBondContact O-NE2 3.21Å; G213-Q215 PolarHBondContact O-N 3.44Å; G213-Q215 PolarHBondContact O-NE2 2.67Å; Q215-G217 WeakPolarHBondContact O-CA 3.21Å; Q215-G217 PolarHBondContact O-N 2.68Å
216	S	69.7	Low	83.3	Confident	33 Å²	33	71.2 Å²	71.2	23%	0.231	43%	0.432	C	S	.	.	S	Bend	trans	-57.5	88	169.5	58.2	0	0	0	0	108.9
217	G	51.8	Low	82.9	Confident	51 Å²	51	74 Å²	74	53%	0.526	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	133.7	-147	0	0	0	0	0	113.6	Q215 G219	Q215-G217 WeakPolarHBondContact O-CA 3.21Å; Q215-G217 PolarHBondContact O-N 2.68Å; G217-G219 PolarHBondContact O-N 2.81Å
218	Q	50.6	Low	82.6	Confident	203 Å²	203	75 Å²	75	95%	0.949	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	-2.1	155.6	-62.5	-178.7	-5.5	0	0	120.1
219	G	54.1	Low	82.3	Confident	80 Å²	80	70.3 Å²	70.3	83%	0.825	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.5	7.9	167.8	0	0	0	0	0	112	G217	G217-G219 PolarHBondContact O-N 2.81Å
220	G	71.3	Confident	82.3	Confident	30 Å²	30	68.1 Å²	68.1	31%	0.309	43%	0.427	S	S	.	.	S	Bend	trans	-97.7	-165.3	168	0	0	0	0	0	112.1
221	R	85.6	Confident	82.5	Confident	23 Å²	23	73 Å²	73	9%	0.087	46%	0.457	C	S	.	.			trans	-66.9	148.7	176.3	63.9	176.4	172.4	-175.1	-5.5	112.5	V177 N178 D191 A223 E225 K227	V177-R221 PolarHBondContact O-NH1 3.43Å; V177-R221 PolarHBondContact O-NH2 3.47Å; N178-R221 PolarHBondContact ND2-NE 3.47Å; N178-R221 VanDerWaalsContact ND2-NE 3.19Å; N178-R221 PolarHBondContact ND2-NH2 2.7Å; D191-R221 IonicContact OD1-CZ 3.11Å; D191-R221 IonicContact OD1-NE 2.7Å; D191-R221 IonicContact OD1-NH2 2.81Å; D191-R221 PolarHBondContact OD1-NH2 3.34Å; D191-R221 IonicContact OD2-CZ 2.82Å; D191-R221 IonicContact OD2-NE 3.53Å; D191-R221 PolarHBondContact OD2-NE 2.8Å; D191-R221 IonicContact OD2-NH2 2.84Å; D191-R221 PolarHBondContact OD2-NH2 3.19Å; R221-A223 WeakPolarHBondContact CD-O 3.36Å; R221-E225 VanDerWaalsContact CA-OE1 3.23Å; R221-E225 WeakPolarHBondContact CA-OE1 3.23Å; R221-E225 VanDerWaalsContact CB-CD 3.43Å; R221-E225 HydrophobicContact CB-CG 3.8Å; R221-E225 WeakPolarHBondContact CD-O 3.49Å; R221-K227 HydrophobicContact CG-CG 4.46Å; R221-K227 VanDerWaalsContact NH2-CE 3.29Å
222	F	87.6	Confident	82.6	Confident	161 Å²	161	69.2 Å²	69.2	71%	0.706	45%	0.45	S	S	*	.	S	Bend	trans	-87.4	-36.2	-179.9	-67	-75.2	0	0	0	113.3	P214 E225	P214-F222 WeakPolarHBondContact CD-O 3.45Å; F222-E225 WeakPolarHBondContact CD2-OE1 3.14Å; F222-E225 VanDerWaalsContact N-CD 3.31Å; F222-E225 PolarHBondContact N-OE1 3.05Å; F222-E225 PolarHBondContact N-OE2 3.43Å
223	A	89.9	Confident	82.6	Confident	51 Å²	51	74 Å²	74	42%	0.421	47%	0.472	S	S	.	.	S	Bend	trans	-140.1	-108	178.8	0	0	0	0	0	108.6	N178 P214 R221 E225	N178-A223 PolarHBondContact ND2-O 2.95Å; N178-A223 PolarHBondContact OD1-O 2.63Å; P214-A223 WeakPolarHBondContact CG-O 3.32Å; R221-A223 WeakPolarHBondContact CD-O 3.36Å; A223-E225 PolarHBondContact N-OE2 3.02Å
224	S	92.2	Very high	82.7	Confident	80 Å²	80	78.5 Å²	78.5	56%	0.559	49%	0.492	S	S	*	.	S	Bend	trans	-109	9.6	-173.5	56.1	0	0	0	0	114
225	E	91	Very high	82.7	Confident	39 Å²	39	82.5 Å²	82.5	18%	0.182	52%	0.516	C	S	.	.	S	Bend	trans	-69	160.9	-179.8	75.5	-88.4	-152.2	0	0	112.6	R221 F222 A223 K227 L230	R221-E225 VanDerWaalsContact CA-OE1 3.23Å; R221-E225 WeakPolarHBondContact CA-OE1 3.23Å; R221-E225 VanDerWaalsContact CB-CD 3.43Å; R221-E225 HydrophobicContact CB-CG 3.8Å; R221-E225 WeakPolarHBondContact CD-O 3.49Å; F222-E225 WeakPolarHBondContact CD2-OE1 3.14Å; F222-E225 VanDerWaalsContact N-CD 3.31Å; F222-E225 PolarHBondContact N-OE1 3.05Å; F222-E225 PolarHBondContact N-OE2 3.43Å; A223-E225 PolarHBondContact N-OE2 3.02Å; E225-K227 PolarHBondContact O-N 2.87Å; E225-L230 HydrophobicContact CB-CD2 3.74Å; E225-L230 HydrophobicContact CG-CD2 4.12Å
226	P	90.5	Very high	83	Confident	56 Å²	56	89.9 Å²	89.9	36%	0.364	55%	0.551	S	S	.	*			trans	-59.2	137.3	174.1	-20.5	32.3	0	0	0	111.1	G228 G229 T231	P226-G228 PolarHBondContact O-N 2.68Å; P226-G229 WeakPolarHBondContact CB-O 3.49Å; P226-G229 PolarHBondContact O-N 3.33Å; P226-T231 HydrophobicContact CB-CG2 4.29Å; P226-T231 HydrophobicContact CG-CG2 4Å; P226-T231 WeakPolarHBondContact CG-OG1 3.5Å
227	K	84.8	Confident	84.2	Confident	129 Å²	129	94.2 Å²	94.2	56%	0.561	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-23.1	-177.9	-66	-174.5	176.4	-171.9	0	113.7	D191 R221 E225 G229	D191-K227 VanDerWaalsContact OD1-CE 3.26Å; D191-K227 WeakPolarHBondContact OD1-CE 3.19Å; D191-K227 IonicContact OD1-NZ 3.68Å; D191-K227 PolarHBondContact OD1-NZ 2.99Å; R221-K227 HydrophobicContact CG-CG 4.46Å; R221-K227 VanDerWaalsContact NH2-CE 3.29Å; E225-K227 PolarHBondContact O-N 2.87Å; K227-G229 VanDerWaalsContact C-N 3.35Å
228	G	86	Confident	86.2	Confident	85 Å²	85	98.3 Å²	98.3	88%	0.876	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	8.6	178.1	0	0	0	0	0	115.2	P226	P226-G228 PolarHBondContact O-N 2.68Å
229	G	86	Confident	88.2	Confident	37 Å²	37	93.1 Å²	93.1	38%	0.381	57%	0.567	S	S	.	*	S	Bend	trans	105.2	173.3	-175.6	0	0	0	0	0	113.3	P226 K227 T231	P226-G229 WeakPolarHBondContact CB-O 3.49Å; P226-G229 PolarHBondContact O-N 3.33Å; K227-G229 VanDerWaalsContact C-N 3.35Å; G229-T231 PolarHBondContact O-N 3.12Å
230	L	90.9	Very high	90.1	Very high	100 Å²	100	95.9 Å²	95.9	52%	0.524	57%	0.571	S	S	.	*			trans	-69.6	113.2	-174.4	-62.6	177.2	0	0	0	111.7	E225 N234	E225-L230 HydrophobicContact CB-CD2 3.74Å; E225-L230 HydrophobicContact CG-CD2 4.12Å; L230-N234 WeakPolarHBondContact CB-OD1 2.97Å; L230-N234 PolarHBondContact O-ND2 3.21Å; L230-N234 PolarHBondContact O-OD1 3.42Å; L230-N234 VanDerWaalsContact O-OD1 3.12Å
231	T	92.8	Very high	90.9	Very high	108 Å²	108	97 Å²	97	66%	0.663	58%	0.582	S	S	*	*	S	Bend	trans	-89.4	-13.8	172.8	60.1	0	0	0	0	112.8	P226 G229	P226-T231 HydrophobicContact CB-CG2 4.29Å; P226-T231 HydrophobicContact CG-CG2 4Å; P226-T231 WeakPolarHBondContact CG-OG1 3.5Å; G229-T231 PolarHBondContact O-N 3.12Å
232	S	94.6	Very high	91.2	Very high	74 Å²	74	101.4 Å²	101.4	52%	0.517	60%	0.602	S	S	.	*	S	Bend	trans	-147.4	164.5	-179.1	57.5	0	0	0	0	109.5	N234	S232-N234 PolarHBondContact O-N 3.01Å
233	L	93.8	Very high	91.3	Very high	160 Å²	160	102.4 Å²	102.4	84%	0.838	61%	0.606	S	S	*	*			trans	60.5	32.5	-175.6	-55	173.3	0	0	0	113.2	T235	L233-T235 VanDerWaalsContact C-N 3.26Å; L233-T235 PolarHBondContact O-N 3.47Å
234	N	92.6	Very high	91.5	Very high	108 Å²	108	104 Å²	104	58%	0.578	61%	0.611	S	S	*	*			trans	-78.2	-10.7	176.9	-68.3	-30.6	0	0	0	113.7	L230 S232	L230-N234 WeakPolarHBondContact CB-OD1 2.97Å; L230-N234 PolarHBondContact O-ND2 3.21Å; L230-N234 PolarHBondContact O-OD1 3.42Å; L230-N234 VanDerWaalsContact O-OD1 3.12Å; S232-N234 PolarHBondContact O-N 3.01Å
235	T	93.4	Very high	91.5	Very high	109 Å²	109	107.9 Å²	107.9	67%	0.669	61%	0.613	S	S	*	*	S	Bend	trans	-103.3	145.5	179.3	58.1	0	0	0	0	110	L233	L233-T235 VanDerWaalsContact C-N 3.26Å; L233-T235 PolarHBondContact O-N 3.47Å
236	E	93.8	Very high	91.3	Very high	171 Å²	171	112.2 Å²	112.2	80%	0.799	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-54.9	140.1	171.6	-66.9	-176.9	171.6	0	0	111.5	K238	E236-K238 PolarHBondContact O-N 3.49Å
237	P	95.1	Very high	91.3	Very high	124 Å²	124	114.4 Å²	114.4	81%	0.805	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-60.5	140	177.3	26.7	-33.9	0	0	0	109.7
238	K	94.3	Very high	90.9	Very high	137 Å²	137	117.1 Å²	117.1	60%	0.596	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-70.4	141.1	179.7	-59.3	-62.8	-175.8	-169.7	0	110.2	E236 F242	E236-K238 PolarHBondContact O-N 3.49Å; K238-F242 HydrophobicContact CB-CB 3.66Å; K238-F242 HydrophobicContact CB-CD1 3.62Å; K238-F242 HydrophobicContact CB-CD2 4.21Å; K238-F242 HydrophobicContact CB-CE1 4.29Å; K238-F242 HydrophobicContact CB-CG 3.56Å; K238-F242 HydrophobicContact CD-CD1 4.43Å; K238-F242 HydrophobicContact CD-CD2 4.3Å; K238-F242 HydrophobicContact CD-CE1 4.34Å; K238-F242 HydrophobicContact CD-CE2 4.22Å; K238-F242 HydrophobicContact CD-CG 4.4Å; K238-F242 HydrophobicContact CD-CZ 4.24Å; K238-F242 HydrophobicContact CG-CD1 3.59Å; K238-F242 HydrophobicContact CG-CD2 4.26Å; K238-F242 HydrophobicContact CG-CE1 3.73Å; K238-F242 HydrophobicContact CG-CE2 4.39Å; K238-F242 HydrophobicContact CG-CG 3.87Å; K238-F242 HydrophobicContact CG-CZ 4.14Å
239	S	91.8	Very high	91.1	Very high	93 Å²	93	118.7 Å²	118.7	65%	0.65	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-58.5	155.5	178.2	-56.1	0	0	0	0	112.6	G241 F242	S239-G241 PolarHBondContact O-N 3.33Å; S239-F242 WeakPolarHBondContact O-CB 3.19Å; S239-F242 PolarHBondContact O-N 3.44Å
240	P	93.2	Very high	91.4	Very high	138 Å²	138	123 Å²	123	90%	0.896	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.1	139.5	172.7	23.6	-34.9	0	0	0	110.5
241	G	89.7	Confident	91.4	Very high	54 Å²	54	124.3 Å²	124.3	56%	0.557	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	95	-12.4	-175.5	0	0	0	0	0	114.9	S239 K243 V244	S239-G241 PolarHBondContact O-N 3.33Å; G241-K243 PolarHBondContact O-N 3.23Å; G241-K243 VanDerWaalsContact O-N 3.12Å; G241-V244 VanDerWaalsContact CA-CG2 3.49Å; G241-V244 PolarHBondContact O-N 3.19Å
242	F	91.6	Very high	91.3	Very high	115 Å²	115	125.2 Å²	125.2	50%	0.504	69%	0.691	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.3	116.8	177.8	-175.1	-103.7	0	0	0	111.5	K238 S239 V244	K238-F242 HydrophobicContact CB-CB 3.66Å; K238-F242 HydrophobicContact CB-CD1 3.62Å; K238-F242 HydrophobicContact CB-CD2 4.21Å; K238-F242 HydrophobicContact CB-CE1 4.29Å; K238-F242 HydrophobicContact CB-CG 3.56Å; K238-F242 HydrophobicContact CD-CD1 4.43Å; K238-F242 HydrophobicContact CD-CD2 4.3Å; K238-F242 HydrophobicContact CD-CE1 4.34Å; K238-F242 HydrophobicContact CD-CE2 4.22Å; K238-F242 HydrophobicContact CD-CG 4.4Å; K238-F242 HydrophobicContact CD-CZ 4.24Å; K238-F242 HydrophobicContact CG-CD1 3.59Å; K238-F242 HydrophobicContact CG-CD2 4.26Å; K238-F242 HydrophobicContact CG-CE1 3.73Å; K238-F242 HydrophobicContact CG-CE2 4.39Å; K238-F242 HydrophobicContact CG-CG 3.87Å; K238-F242 HydrophobicContact CG-CZ 4.14Å; S239-F242 WeakPolarHBondContact O-CB 3.19Å; S239-F242 PolarHBondContact O-N 3.44Å; F242-V244 PolarHBondContact O-N 2.62Å
243	K	90.1	Very high	91.1	Very high	182 Å²	182	128.4 Å²	128.4	79%	0.791	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	60.4	24.5	-176.9	-59.8	-177.4	174.6	-174.9	0	114.9	G241 R245	G241-K243 PolarHBondContact O-N 3.23Å; G241-K243 VanDerWaalsContact O-N 3.12Å; K243-R245 PolarHBondContact O-N 2.71Å
244	V	93.3	Very high	90.9	Very high	85 Å²	85	126.3 Å²	126.3	52%	0.515	69%	0.693	S	S	.	*			trans	-66.1	132.3	169.2	177.2	0	0	0	0	108.7	G241 F242 L248	G241-V244 VanDerWaalsContact CA-CG2 3.49Å; G241-V244 PolarHBondContact O-N 3.19Å; F242-V244 PolarHBondContact O-N 2.62Å; V244-L248 HydrophobicContact CG1-CB 4.44Å; V244-L248 HydrophobicContact CG1-CD1 3.65Å
245	R	91.5	Very high	90.8	Very high	161 Å²	161	127.6 Å²	127.6	61%	0.608	70%	0.701	S	S	*	*			trans	-58.5	145.9	177.1	61.7	-169	-78.6	-169	-2.9	110.3	K243 D247 L248	K243-R245 PolarHBondContact O-N 2.71Å; R245-D247 VanDerWaalsContact CB-OD1 3.29Å; R245-D247 WeakPolarHBondContact CB-OD1 3.29Å; R245-D247 WeakPolarHBondContact CD-OD1 3.39Å; R245-D247 WeakPolarHBondContact CG-OD1 3.48Å; R245-D247 IonicContact CZ-OD1 3.6Å; R245-D247 IonicContact CZ-OD2 3.31Å; R245-D247 VanDerWaalsContact CZ-OD2 3.31Å; R245-D247 VanDerWaalsContact NE-CG 3.29Å; R245-D247 IonicContact NE-OD1 2.71Å; R245-D247 PolarHBondContact NE-OD1 3.2Å; R245-D247 IonicContact NE-OD2 3.23Å; R245-D247 PolarHBondContact NE-OD2 3.12Å; R245-D247 IonicContact NH2-OD1 3.7Å; R245-D247 IonicContact NH2-OD2 2.62Å; R245-D247 PolarHBondContact NH2-OD2 3.26Å; R245-D247 PolarHBondContact O-N 3.45Å; R245-L248 HydrophobicContact CG-CB 4.45Å; R245-L248 HydrophobicContact CG-CD1 3.48Å; R245-L248 VanDerWaalsContact CG-CD1 3.48Å; R245-L248 HydrophobicContact CG-CG 3.7Å
246	S	87.8	Confident	90.6	Very high	130 Å²	130	129.1 Å²	129.1	91%	0.909	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-8.7	-172.5	51.9	0	0	0	0	115
247	D	89.9	Confident	90.3	Very high	103 Å²	103	125.6 Å²	125.6	55%	0.551	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	24.6	-174.1	62.6	-39.6	0	0	0	113.5	R245	R245-D247 VanDerWaalsContact CB-OD1 3.29Å; R245-D247 WeakPolarHBondContact CB-OD1 3.29Å; R245-D247 WeakPolarHBondContact CD-OD1 3.39Å; R245-D247 WeakPolarHBondContact CG-OD1 3.48Å; R245-D247 IonicContact CZ-OD1 3.6Å; R245-D247 IonicContact CZ-OD2 3.31Å; R245-D247 VanDerWaalsContact CZ-OD2 3.31Å; R245-D247 VanDerWaalsContact NE-CG 3.29Å; R245-D247 IonicContact NE-OD1 2.71Å; R245-D247 PolarHBondContact NE-OD1 3.2Å; R245-D247 IonicContact NE-OD2 3.23Å; R245-D247 PolarHBondContact NE-OD2 3.12Å; R245-D247 IonicContact NH2-OD1 3.7Å; R245-D247 IonicContact NH2-OD2 2.62Å; R245-D247 PolarHBondContact NH2-OD2 3.26Å; R245-D247 PolarHBondContact O-N 3.45Å
248	L	75.7	Confident	89.9	Confident	185 Å²	185	125.7 Å²	125.7	97%	0.969	69%	0.686	S	S	*	*			trans	-101.5	0	170.6	-83.4	167.1	0	0	0	112	V244 R245	V244-L248 HydrophobicContact CG1-CB 4.44Å; V244-L248 HydrophobicContact CG1-CD1 3.65Å; R245-L248 HydrophobicContact CG-CB 4.45Å; R245-L248 HydrophobicContact CG-CD1 3.48Å; R245-L248 VanDerWaalsContact CG-CD1 3.48Å; R245-L248 HydrophobicContact CG-CG 3.7Å

Retrieved 248 of 248 residues in 87.8 ms (Link to these results)

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