A0A060X4Q2_ONCMY Loading...

E3 ubiquitin-protein ligase RNF114

AlphaFold DB , UniProt , Accession A0A060X4Q2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 240 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	34	Very low	33.4	Very low	222 Å²	222	176.3 Å²	176.3	100%	1.094	82%	0.821	S	S	*	*				0	104.6	0	-83.6	173.3	78.1	0	0	106.4
2	L	27.1	Very low	34	Very low	146 Å²	146	177 Å²	177	76%	0.764	82%	0.824	S	S	*	*				62.9	130.8	92.8	-86.1	89.9	0	0	0	110.8
3	L	31.5	Very low	34.1	Very low	122 Å²	122	178.2 Å²	178.2	64%	0.639	83%	0.83	S	S	*	*			cis	177.3	143.4	-2.4	-116.7	178.3	0	0	0	103.4
4	L	31.9	Very low	34.1	Very low	117 Å²	117	179.6 Å²	179.6	61%	0.613	84%	0.84	S	S	*	*			trans	72.2	145.5	145.9	-47.7	157	0	0	0	116.7
5	F	29.5	Very low	33.8	Very low	170 Å²	170	174.1 Å²	174.1	75%	0.746	84%	0.838	S	S	*	*			cis	-157.3	124.5	27.1	-74	-91.9	0	0	0	108.4
6	T	36.2	Very low	34.1	Very low	143 Å²	143	174.4 Å²	174.4	88%	0.877	84%	0.841	S	S	*	*			trans	-129.6	84.5	158.7	55.4	0	0	0	0	109.3
7	T	32.3	Very low	34.2	Very low	131 Å²	131	175.1 Å²	175.1	80%	0.804	85%	0.849	S	S	*	*			trans	-142.2	91.7	167.8	46.3	0	0	0	0	110.2
8	R	34.3	Very low	33.8	Very low	234 Å²	234	169.4 Å²	169.4	88%	0.883	84%	0.843	S	S	*	*			trans	-144.2	126.3	154.9	-160.6	173.3	176.3	172.2	0.8	109.4
9	Q	33.8	Very low	33.5	Very low	157 Å²	157	166.4 Å²	166.4	73%	0.734	84%	0.84	S	S	*	*	S	Bend	trans	86.5	83.1	162.5	-130.4	78.3	27.8	0	0	118.5
10	R	37.5	Very low	33.4	Very low	254 Å²	254	169 Å²	169	96%	0.958	85%	0.846	S	S	*	*				-167.7	84	116.1	-99	-177.1	-166.6	-158.8	4.2	108.4
11	R	39.2	Very low	33.3	Very low	243 Å²	243	165.5 Å²	165.5	92%	0.917	84%	0.838	S	S	*	*			trans	-86	113.3	158.5	-87.6	177.9	161.2	175.5	-5.9	105.6
12	E	41.1	Very low	33.4	Very low	185 Å²	185	161.1 Å²	161.1	86%	0.864	83%	0.828	S	S	*	*			trans	175.3	138.8	142.5	-93.7	158.2	-162.6	0	0	106.5
13	E	34.6	Very low	33.6	Very low	192 Å²	192	157.5 Å²	157.5	90%	0.897	82%	0.82	S	S	*	*	S	Bend	trans	82	80.2	179.4	-52.9	-172.4	132.6	0	0	118
14	M	34.1	Very low	34.4	Very low	198 Å²	198	161.5 Å²	161.5	98%	0.975	84%	0.835	S	S	*	*				170.1	99.6	122.7	-111.9	165.3	165.5	0	0	110
15	A	30.3	Very low	34.7	Very low	97 Å²	97	164.6 Å²	164.6	80%	0.802	85%	0.847	S	S	*	*			trans	-137	86.3	164.7	0	0	0	0	0	107.6
16	M	38.3	Very low	35	Very low	180 Å²	180	163.6 Å²	163.6	89%	0.887	85%	0.849	S	S	*	*			trans	-141.1	50.7	169.6	-76.1	-64.7	-86.4	0	0	110
17	L	35.1	Very low	34.9	Very low	186 Å²	186	166.4 Å²	166.4	97%	0.974	85%	0.849	S	S	*	*	S	Bend	trans	-154.5	114.5	159	-72.9	-178.1	0	0	0	108.5
18	G	28.2	Very low	35.1	Very low	72 Å²	72	167.7 Å²	167.7	74%	0.742	85%	0.851	S	S	*	*			trans	134	87.9	165.5	0	0	0	0	0	114.7
19	S	27.9	Very low	35.2	Very low	113 Å²	113	163.4 Å²	163.4	79%	0.79	85%	0.851	S	S	*	*			trans	-155.1	77.8	145.8	-76	0	0	0	0	108.6	S21	S19-S21 VanDerWaalsContact C-N 3.28Å; S19-S21 PolarHBondContact O-N 2.9Å
20	F	31.2	Very low	35.3	Very low	217 Å²	217	161.6 Å²	161.6	95%	0.952	86%	0.856	S	S	*	*			trans	-75.3	91.8	152.1	-83.1	-87.2	0	0	0	106.2	S22	F20-S22 PolarHBondContact O-N 2.85Å
21	S	31.4	Very low	35	Very low	97 Å²	97	153.3 Å²	153.3	68%	0.678	85%	0.849	S	S	*	*			trans	-83.4	113.5	173	-70	0	0	0	0	109.5	S19 A23	S19-S21 VanDerWaalsContact C-N 3.28Å; S19-S21 PolarHBondContact O-N 2.9Å; S21-A23 PolarHBondContact O-N 3.06Å
22	S	35.6	Very low	35.1	Very low	129 Å²	129	145.6 Å²	145.6	90%	0.902	85%	0.845	S	S	*	*			trans	-48.7	120.7	153.1	-56.7	0	0	0	0	109.5	F20	F20-S22 PolarHBondContact O-N 2.85Å
23	A	32.7	Very low	35.3	Very low	71 Å²	71	143.9 Å²	143.9	59%	0.587	84%	0.842	S	S	*	*			trans	-138	95.6	168.7	0	0	0	0	0	109.3	S21 Q25	S21-A23 PolarHBondContact O-N 3.06Å; A23-Q25 HydrophobicContact CB-CG 4.39Å; A23-Q25 PolarHBondContact O-N 3.16Å
24	Q	47.2	Very low	36.2	Very low	205 Å²	205	142.1 Å²	142.1	96%	0.958	83%	0.827	S	S	*	*			trans	-51.7	121	145.3	-80.4	163.7	-58.9	0	0	107.6
25	Q	38.5	Very low	37.5	Very low	182 Å²	182	136.1 Å²	136.1	85%	0.85	80%	0.799	S	S	*	*			trans	-120.7	98.1	166.5	-76.2	-173.4	2.5	0	0	109.3	A23	A23-Q25 HydrophobicContact CB-CG 4.39Å; A23-Q25 PolarHBondContact O-N 3.16Å
26	N	36.6	Very low	39.1	Very low	150 Å²	150	132 Å²	132	80%	0.802	77%	0.766	S	S	*	*			trans	-97.4	114.4	149.6	-179.4	14	0	0	0	106.9
27	K	33.3	Very low	40.7	Very low	201 Å²	201	127.8 Å²	127.8	87%	0.874	75%	0.75	S	S	*	*			trans	-167.9	118.4	152.6	-107.6	170.8	-171.4	-176.3	0	110.8
28	N	36.2	Very low	43.1	Very low	159 Å²	159	123 Å²	123	85%	0.85	72%	0.723	S	S	*	*			trans	-48.7	128.4	167.7	-86.2	-36.5	0	0	0	112.9
29	V	35.8	Very low	46.3	Very low	143 Å²	143	119.8 Å²	119.8	87%	0.867	69%	0.689	S	S	*	*			trans	-136.4	129.1	150.1	171.8	0	0	0	0	107.8
30	S	36.2	Very low	49.5	Very low	120 Å²	120	116.6 Å²	116.6	84%	0.839	66%	0.664	S	S	*	*			trans	-80	145.5	-178.2	-45.8	0	0	0	0	111.9
31	G	31.5	Very low	52.6	Low	79 Å²	79	106.3 Å²	106.3	81%	0.814	62%	0.619	S	S	*	*			trans	126.8	99.6	166.5	0	0	0	0	0	112.3
32	G	42.1	Very low	55.6	Low	82 Å²	82	104.6 Å²	104.6	85%	0.845	61%	0.606	S	S	*	*			trans	-70.9	127.8	-164.9	0	0	0	0	0	115.7
33	D	43.8	Very low	58.5	Low	148 Å²	148	101.3 Å²	101.3	79%	0.791	58%	0.58	S	S	*	*			trans	-145.6	99.9	136.9	-162.8	14.5	0	0	0	105.7	D35	D33-D35 PolarHBondContact O-N 3.18Å
34	R	53.5	Low	61.5	Low	156 Å²	156	99.9 Å²	99.9	59%	0.589	57%	0.566	S	S	*	*			trans	-76.2	81	177.7	-64.9	-178.5	84.2	169.9	8.1	106.7	G36 E38	R34-G36 PolarHBondContact O-N 3.14Å; R34-E38 IonicContact CZ-OE1 3.02Å; R34-E38 IonicContact CZ-OE2 3.99Å; R34-E38 IonicContact NE-OE1 2.62Å; R34-E38 PolarHBondContact NE-OE1 3.47Å; R34-E38 IonicContact NE-OE2 3.37Å; R34-E38 IonicContact NH2-OE1 3.76Å; R34-E38 PolarHBondContact NH2-OE1 2.89Å; R34-E38 IonicContact NH2-OE2 3.59Å; R34-E38 PolarHBondContact NH2-OE2 3.33Å
35	D	61.3	Low	63.7	Low	72 Å²	72	96.3 Å²	96.3	39%	0.385	55%	0.552	S	S	.	*			trans	-57.7	108.8	171.8	-168.9	26.6	0	0	0	106.6	D33 T37 K104	D33-D35 PolarHBondContact O-N 3.18Å; D35-T37 HydrophobicContact CB-CG2 4.34Å; D35-T37 PolarHBondContact O-N 3.04Å; D35-T37 PolarHBondContact O-OG1 3.13Å; D35-T37 VanDerWaalsContact OD2-CG2 3.29Å; D35-T37 WeakPolarHBondContact OD2-CG2 3.49Å; D35-K104 WeakPolarHBondContact OD1-CE 3.33Å; D35-K104 IonicContact OD1-NZ 3.36Å; D35-K104 PolarHBondContact OD1-NZ 3.46Å
36	G	63.8	Low	66.3	Low	11 Å²	11	91.5 Å²	91.5	11%	0.113	53%	0.53	C	S	.	.	G	3₁₀ helix	trans	-59.4	14.1	-166.7	0	0	0	0	0	116.6	R34 E38 F39	R34-G36 PolarHBondContact O-N 3.14Å; G36-E38 PolarHBondContact O-N 3.25Å; G36-F39 PolarHBondContact O-N 3.29Å
37	T	73.3	Confident	69.1	Low	90 Å²	90	85.3 Å²	85.3	55%	0.552	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-49.8	-30.9	166.6	63	0	0	0	0	113.6	D35 F39 V40	D35-T37 HydrophobicContact CB-CG2 4.34Å; D35-T37 PolarHBondContact O-N 3.04Å; D35-T37 PolarHBondContact O-OG1 3.13Å; D35-T37 VanDerWaalsContact OD2-CG2 3.29Å; D35-T37 WeakPolarHBondContact OD2-CG2 3.49Å; T37-F39 PolarHBondContact O-N 2.64Å; T37-F39 VanDerWaalsContact O-N 3.14Å; T37-V40 PolarHBondContact O-N 3.2Å
38	E	85.9	Confident	72.2	Confident	87 Å²	87	76.7 Å²	76.7	41%	0.407	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-63.9	-17.2	176	72.3	-177.4	105	0	0	112.7	R34 G36	R34-E38 IonicContact CZ-OE1 3.02Å; R34-E38 IonicContact CZ-OE2 3.99Å; R34-E38 IonicContact NE-OE1 2.62Å; R34-E38 PolarHBondContact NE-OE1 3.47Å; R34-E38 IonicContact NE-OE2 3.37Å; R34-E38 IonicContact NH2-OE1 3.76Å; R34-E38 PolarHBondContact NH2-OE1 2.89Å; R34-E38 IonicContact NH2-OE2 3.59Å; R34-E38 PolarHBondContact NH2-OE2 3.33Å; G36-E38 PolarHBondContact O-N 3.25Å
39	F	93.6	Very high	75	Confident	4 Å²	4	73.3 Å²	73.3	2%	0.018	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-108.4	13.3	-179	-57.3	-73.9	0	0	0	113.7	G36 T37 I47 F48 L92 L95 I96 L112	G36-F39 PolarHBondContact O-N 3.29Å; T37-F39 PolarHBondContact O-N 2.64Å; T37-F39 VanDerWaalsContact O-N 3.14Å; F39-I47 HydrophobicContact CB-CD1 4.17Å; F39-I47 HydrophobicContact CB-CG2 4.39Å; F39-I47 CarbonylContact O-C 3.59Å; F39-I47 WeakPolarHBondContact O-CA 3.41Å; F39-F48 WeakPolarHBondContact O-CD2 3.22Å; F39-F48 PolarHBondContact O-N 3.36Å; F39-L92 HydrophobicContact CD1-CD1 3.74Å; F39-L92 HydrophobicContact CE1-CD1 3.87Å; F39-L95 HydrophobicContact CE1-CB 4.09Å; F39-L95 HydrophobicContact CE1-CD2 3.58Å; F39-L95 HydrophobicContact CE1-CG 3.58Å; F39-L95 HydrophobicContact CZ-CD2 3.62Å; F39-L95 HydrophobicContact CZ-CG 3.61Å; F39-I96 HydrophobicContact CB-CG1 4.28Å; F39-I96 HydrophobicContact CD1-CD1 4.22Å; F39-I96 HydrophobicContact CD1-CG1 3.43Å; F39-I96 VanDerWaalsContact CD1-CG1 3.43Å; F39-I96 HydrophobicContact CE1-CG1 4.07Å; F39-I96 HydrophobicContact CG-CG1 4.12Å; F39-L112 HydrophobicContact CB-CD1 3.98Å; F39-L112 HydrophobicContact CD1-CD1 4.26Å; F39-L112 HydrophobicContact CD2-CD1 3.15Å; F39-L112 HydrophobicContact CE2-CD1 3.6Å; F39-L112 HydrophobicContact CG-CD1 3.53Å; F39-L112 HydrophobicContact CZ-CD1 4.32Å
40	V	95.2	Very high	77.9	Confident	46 Å²	46	68.7 Å²	68.7	28%	0.279	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-95.8	133.2	-175.6	176	0	0	0	0	111.4	T37 L45 I47 F48	T37-V40 PolarHBondContact O-N 3.2Å; V40-L45 VanDerWaalsContact CG1-C 3.41Å; V40-I47 HydrophobicContact CG2-CD1 4.02Å; V40-F48 WeakPolarHBondContact O-CE2 3.46Å; V40-F48 VanDerWaalsContact O-CZ 3.25Å; V40-F48 WeakPolarHBondContact O-CZ 3.45Å
41	C	96.5	Very high	80.8	Confident	0 Å²	0	63 Å²	63	0%	0	38%	0.376	C	S	.	.			trans	-72.2	128.2	173.5	178.2	0	0	0	0	111	V43 C44 L45 E46 F48 C61	C41-V43 PolarHBondContact O-N 2.99Å; C41-V43 VanDerWaalsContact O-N 3.11Å; C41-C44 VanDerWaalsContact CB-SG 3.52Å; C41-L45 WeakPolarHBondContact O-CA 3.47Å; C41-L45 PolarHBondContact O-N 3.44Å; C41-E46 PolarHBondContact N-O 3.4Å; C41-F48 HydrophobicContact CB-CD1 3.67Å; C41-F48 HydrophobicContact CB-CE1 3.67Å; C41-F48 HydrophobicContact CB-CG 4.46Å; C41-F48 HydrophobicContact CB-CZ 4.47Å; C41-C61 VanDerWaalsContact CB-SG 3.54Å; C41-C61 PolarHBondContact SG-N 3.38Å; C41-C61 VanDerWaalsContact SG-SG 3.66Å
42	P	95.8	Very high	83.9	Confident	62 Å²	62	59.3 Å²	59.3	40%	0.403	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.6	-178	29	-36.6	0	0	0	114.1	T59 F60 V78	P42-T59 WeakPolarHBondContact CD-O 3.35Å; P42-F60 HydrophobicContact CG-CD1 3.79Å; P42-F60 HydrophobicContact CG-CE1 3.62Å; P42-V78 HydrophobicContact CB-CG2 4.08Å; P42-V78 HydrophobicContact CG-CG2 3.83Å
43	V	95.9	Very high	86.6	Confident	59 Å²	59	57.5 Å²	57.5	36%	0.358	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-53.7	-179.6	176.1	0	0	0	0	111.3	C41 F60 C64 A77	C41-V43 PolarHBondContact O-N 2.99Å; C41-V43 VanDerWaalsContact O-N 3.11Å; V43-F60 HydrophobicContact CG2-CD1 3.63Å; V43-F60 HydrophobicContact CG2-CE1 3.91Å; V43-C64 HydrophobicContact CB-CB 3.85Å; V43-C64 HydrophobicContact CG1-CB 3.86Å; V43-C64 HydrophobicContact CG2-CB 4.32Å; V43-A77 HydrophobicContact CG2-CB 3.98Å
44	C	95.3	Very high	89.1	Confident	42 Å²	42	50.7 Å²	50.7	28%	0.284	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-7.9	-179.7	61	0	0	0	0	114	C41 E46 R116	C41-C44 VanDerWaalsContact CB-SG 3.52Å; C44-E46 PolarHBondContact O-N 2.92Å; C44-R116 PolarHBondContact SG-NH1 3.45Å; C44-R116 VanDerWaalsContact SG-NH1 3.36Å
45	L	93.4	Very high	91.1	Very high	130 Å²	130	48.9 Å²	48.9	68%	0.681	27%	0.271	S	S	*	.			trans	58.9	24.9	179.7	-50.9	-179.6	0	0	0	114.2	V40 C41	V40-L45 VanDerWaalsContact CG1-C 3.41Å; C41-L45 WeakPolarHBondContact O-CA 3.47Å; C41-L45 PolarHBondContact O-N 3.44Å
46	E	94.3	Very high	92.8	Very high	80 Å²	80	47.4 Å²	47.4	37%	0.374	27%	0.266	S	S	.	.	S	Bend	trans	-121.2	161.6	177.2	-69.5	-173.6	116.9	0	0	111.2	C41 C44 F48 R116	C41-E46 PolarHBondContact N-O 3.4Å; C44-E46 PolarHBondContact O-N 2.92Å; E46-F48 PolarHBondContact O-N 2.97Å; E46-R116 HydrophobicContact CB-CG 4.39Å; E46-R116 VanDerWaalsContact CB-CZ 3.45Å; E46-R116 PolarHBondContact O-NH2 3.07Å; E46-R116 VanDerWaalsContact O-NH2 3.15Å; E46-R116 IonicContact OE2-CZ 2.67Å; E46-R116 IonicContact OE2-NH1 2.7Å; E46-R116 PolarHBondContact OE2-NH1 3.39Å
47	I	95.3	Very high	94.3	Very high	20 Å²	20	49.4 Å²	49.4	10%	0.103	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-56.4	118.6	-179.6	-61.5	-59.4	0	0	0	111.8	F39 V40 D49 I96 L112 M115 R116	F39-I47 HydrophobicContact CB-CD1 4.17Å; F39-I47 HydrophobicContact CB-CG2 4.39Å; F39-I47 CarbonylContact O-C 3.59Å; F39-I47 WeakPolarHBondContact O-CA 3.41Å; V40-I47 HydrophobicContact CG2-CD1 4.02Å; I47-D49 PolarHBondContact O-N 3.32Å; I47-I96 HydrophobicContact CG2-CG2 4.28Å; I47-L112 HydrophobicContact CD1-CD2 3.91Å; I47-L112 HydrophobicContact CG1-CD2 4.26Å; I47-L112 HydrophobicContact CG2-CB 4.02Å; I47-L112 WeakPolarHBondContact CG2-O 3.48Å; I47-M115 HydrophobicContact CG1-CB 4.02Å; I47-M115 HydrophobicContact CG1-CG 3.98Å; I47-R116 PolarHBondContact O-NE 2.7Å; I47-R116 PolarHBondContact O-NH2 2.96Å
48	F	96.9	Very high	95.4	Very high	20 Å²	20	47.8 Å²	47.8	9%	0.088	27%	0.273	C	S	.	.			trans	-37.9	132.7	-172.1	-69.6	-73.1	0	0	0	115.4	F39 V40 C41 E46 P51 T59 L92 I96	F39-F48 WeakPolarHBondContact O-CD2 3.22Å; F39-F48 PolarHBondContact O-N 3.36Å; V40-F48 WeakPolarHBondContact O-CE2 3.46Å; V40-F48 VanDerWaalsContact O-CZ 3.25Å; V40-F48 WeakPolarHBondContact O-CZ 3.45Å; C41-F48 HydrophobicContact CB-CD1 3.67Å; C41-F48 HydrophobicContact CB-CE1 3.67Å; C41-F48 HydrophobicContact CB-CG 4.46Å; C41-F48 HydrophobicContact CB-CZ 4.47Å; E46-F48 PolarHBondContact O-N 2.97Å; F48-P51 HydrophobicContact CB-CB 3.94Å; F48-P51 HydrophobicContact CB-CG 4.42Å; F48-P51 HydrophobicContact CD1-CB 4.26Å; F48-P51 HydrophobicContact CG-CB 4.13Å; F48-T59 HydrophobicContact CD1-CG2 4.31Å; F48-T59 HydrophobicContact CE1-CG2 3.92Å; F48-T59 VanDerWaalsContact CE1-O 3.31Å; F48-T59 WeakPolarHBondContact CE1-O 3.4Å; F48-T59 HydrophobicContact CZ-CG2 4.1Å; F48-L92 HydrophobicContact CD2-CD2 3.72Å; F48-L92 HydrophobicContact CE2-CD2 3.86Å; F48-L92 HydrophobicContact CG-CD2 4.32Å; F48-I96 HydrophobicContact CB-CD1 3.73Å; F48-I96 HydrophobicContact CD2-CD1 4.37Å
49	D	95.4	Very high	95.9	Very high	88 Å²	88	45.1 Å²	45.1	47%	0.471	26%	0.263	S	S	.	.	S	Bend	trans	-113.5	123.4	169.1	175.2	37.2	0	0	0	108.7	I47 C61	I47-D49 PolarHBondContact O-N 3.32Å; D49-C61 PolarHBondContact N-SG 3.38Å; D49-C61 VanDerWaalsContact O-CA 3.28Å; D49-C61 WeakPolarHBondContact O-CA 3.35Å; D49-C61 VanDerWaalsContact O-CB 3.25Å; D49-C61 WeakPolarHBondContact O-CB 3.4Å
50	S	96.1	Very high	96.1	Very high	46 Å²	46	45 Å²	45	32%	0.322	26%	0.262	S	S	.	.	S	Bend	trans	45.4	66.3	-173.8	-58.2	0	0	0	0	112.3	Q62	S50-Q62 WeakPolarHBondContact O-CB 3.15Å; S50-Q62 PolarHBondContact O-N 2.94Å
51	P	97.3	Very high	96.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.013	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	137	-170.2	26.3	-33.9	0	0	0	112.8	F48 T59 F60 A89 L92 E93 I96	F48-P51 HydrophobicContact CB-CB 3.94Å; F48-P51 HydrophobicContact CB-CG 4.42Å; F48-P51 HydrophobicContact CD1-CB 4.26Å; F48-P51 HydrophobicContact CG-CB 4.13Å; P51-T59 HydrophobicContact CB-CG2 3.8Å; P51-F60 CarbonylContact C-O 3.59Å; P51-F60 WeakPolarHBondContact CA-O 3.32Å; P51-A89 HydrophobicContact CB-CB 4.03Å; P51-A89 HydrophobicContact CG-CB 4.24Å; P51-A89 PolarHBondContact O-N 2.94Å; P51-L92 HydrophobicContact CB-CD2 3.94Å; P51-L92 HydrophobicContact CG-CB 4.44Å; P51-L92 HydrophobicContact CG-CD2 4.36Å; P51-L92 HydrophobicContact CG-CG 4.45Å; P51-E93 HydrophobicContact CG-CB 3.91Å; P51-I96 HydrophobicContact CG-CD1 4.43Å
52	V	97.8	Very high	96.3	Very high	1 Å²	1	46 Å²	46	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131	177.1	-68	0	0	0	0	110.2	T59 F60 Q62 L65 W86 A87	V52-T59 CarbonylContact O-C 3.56Å; V52-T59 VanDerWaalsContact O-CA 3.28Å; V52-T59 WeakPolarHBondContact O-CA 3.42Å; V52-T59 WeakPolarHBondContact O-CG2 3.17Å; V52-F60 WeakPolarHBondContact CG2-O 3.49Å; V52-F60 PolarHBondContact N-O 2.89Å; V52-F60 PolarHBondContact O-N 3.4Å; V52-Q62 HydrophobicContact CG1-CB 4.23Å; V52-L65 HydrophobicContact CB-CD2 4.29Å; V52-L65 HydrophobicContact CG2-CB 3.83Å; V52-L65 HydrophobicContact CG2-CD2 3.52Å; V52-L65 HydrophobicContact CG2-CG 4.31Å; V52-W86 HydrophobicContact CB-CE3 3.9Å; V52-W86 HydrophobicContact CB-CZ3 4.43Å; V52-W86 HydrophobicContact CG1-CE3 3.62Å; V52-W86 HydrophobicContact CG1-CZ3 3.65Å; V52-A87 CarbonylContact C-O 3.39Å; V52-A87 WeakPolarHBondContact CA-O 3.47Å
53	T	97.7	Very high	96.4	Very high	43 Å²	43	46.3 Å²	46.3	26%	0.264	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.2	178.3	-59.3	0	0	0	0	109.8	T59 W86 A87 A89	T53-T59 PolarHBondContact OG1-OG1 2.85Å; T53-W86 VanDerWaalsContact O-CA 3.3Å; T53-W86 WeakPolarHBondContact O-CA 3.49Å; T53-A87 PolarHBondContact N-O 2.98Å; T53-A87 PolarHBondContact O-N 3.49Å; T53-A89 WeakPolarHBondContact OG1-CB 3.44Å
54	T	97	Very high	96.5	Very high	6 Å²	6	44.1 Å²	44.1	4%	0.037	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	161	178.5	56.8	0	0	0	0	111.3	C56 G57 H58 F60 L65 L83 W86	T54-C56 PolarHBondContact O-N 3.39Å; T54-C56 PolarHBondContact OG1-SG 3.41Å; T54-G57 PolarHBondContact O-N 3.26Å; T54-H58 PolarHBondContact N-O 3.26Å; T54-H58 PolarHBondContact OG1-N 3.11Å; T54-H58 PolarHBondContact OG1-O 3.19Å; T54-F60 HydrophobicContact CG2-CD2 3.8Å; T54-F60 HydrophobicContact CG2-CE2 3.73Å; T54-L65 HydrophobicContact CG2-CD1 3.72Å; T54-L65 HydrophobicContact CG2-CD2 4.22Å; T54-L83 HydrophobicContact CG2-CD2 3.66Å; T54-W86 HydrophobicContact CG2-CB 4.47Å
55	Q	95.8	Very high	96.6	Very high	117 Å²	117	42.3 Å²	42.3	55%	0.547	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-22.7	177.7	67.2	-173.8	52.5	0	0	114.8	G57 H85	Q55-G57 VanDerWaalsContact C-N 3.28Å; Q55-H85 PolarHBondContact N-O 3.36Å; Q55-H85 VanDerWaalsContact N-O 3.07Å
56	C	95.8	Very high	96.7	Very high	41 Å²	41	41.6 Å²	41.6	28%	0.277	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	2.9	175.5	66.1	0	0	0	0	113.6	T54 A81	T54-C56 PolarHBondContact O-N 3.39Å; T54-C56 PolarHBondContact OG1-SG 3.41Å; C56-A81 HydrophobicContact CB-CB 3.88Å
57	G	95.1	Very high	96.7	Very high	54 Å²	54	42.6 Å²	42.6	56%	0.557	24%	0.24	S	C	*	.	S	Bend	trans	89.8	1.2	175.4	0	0	0	0	0	115.6	T54 Q55	T54-G57 PolarHBondContact O-N 3.26Å; Q55-G57 VanDerWaalsContact C-N 3.28Å
58	H	96.7	Very high	96.6	Very high	56 Å²	56	42.7 Å²	42.7	26%	0.259	24%	0.242	S	C	.	.			trans	-92.3	139.4	178	-64.6	101.2	0	0	0	111.9	T54 F60 V78 C79	T54-H58 PolarHBondContact N-O 3.26Å; T54-H58 PolarHBondContact OG1-N 3.11Å; T54-H58 PolarHBondContact OG1-O 3.19Å; H58-F60 HydrophobicContact CB-CE2 3.7Å; H58-F60 HydrophobicContact CB-CZ 3.72Å; H58-V78 HydrophobicContact CB-CB 4.43Å; H58-V78 HydrophobicContact CB-CG2 4.3Å; H58-V78 VanDerWaalsContact CD2-CG1 3.44Å; H58-V78 WeakPolarHBondContact CD2-CG1 3.29Å; H58-V78 VanDerWaalsContact NE2-CG1 3.28Å; H58-V78 WeakPolarHBondContact NE2-CG1 3.31Å; H58-C79 VanDerWaalsContact CE1-SG 3.6Å; H58-C79 PolarHBondContact ND1-SG 3.41Å
59	T	97.6	Very high	96.5	Very high	30 Å²	30	44.6 Å²	44.6	18%	0.184	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.3	-178.4	-50.5	0	0	0	0	111.3	P42 F48 P51 V52 T53 A89 L92	P42-T59 WeakPolarHBondContact CD-O 3.35Å; F48-T59 HydrophobicContact CD1-CG2 4.31Å; F48-T59 HydrophobicContact CE1-CG2 3.92Å; F48-T59 VanDerWaalsContact CE1-O 3.31Å; F48-T59 WeakPolarHBondContact CE1-O 3.4Å; F48-T59 HydrophobicContact CZ-CG2 4.1Å; P51-T59 HydrophobicContact CB-CG2 3.8Å; V52-T59 CarbonylContact O-C 3.56Å; V52-T59 VanDerWaalsContact O-CA 3.28Å; V52-T59 WeakPolarHBondContact O-CA 3.42Å; V52-T59 WeakPolarHBondContact O-CG2 3.17Å; T53-T59 PolarHBondContact OG1-OG1 2.85Å; T59-A89 HydrophobicContact CG2-CB 4.18Å; T59-L92 HydrophobicContact CG2-CD2 3.69Å
60	F	97.9	Very high	96.3	Very high	1 Å²	1	48 Å²	48	0%	0.004	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	164.6	-179	-55.2	-80.3	0	0	0	109.8	P42 V43 P51 V52 T54 H58 C64 L65 A77 V78	P42-F60 HydrophobicContact CG-CD1 3.79Å; P42-F60 HydrophobicContact CG-CE1 3.62Å; V43-F60 HydrophobicContact CG2-CD1 3.63Å; V43-F60 HydrophobicContact CG2-CE1 3.91Å; P51-F60 CarbonylContact C-O 3.59Å; P51-F60 WeakPolarHBondContact CA-O 3.32Å; V52-F60 WeakPolarHBondContact CG2-O 3.49Å; V52-F60 PolarHBondContact N-O 2.89Å; V52-F60 PolarHBondContact O-N 3.4Å; T54-F60 HydrophobicContact CG2-CD2 3.8Å; T54-F60 HydrophobicContact CG2-CE2 3.73Å; H58-F60 HydrophobicContact CB-CE2 3.7Å; H58-F60 HydrophobicContact CB-CZ 3.72Å; F60-C64 HydrophobicContact CB-CB 4.48Å; F60-L65 HydrophobicContact CB-CB 4.23Å; F60-L65 HydrophobicContact CD2-CD1 4.26Å; F60-A77 HydrophobicContact CE1-CB 4.12Å; F60-V78 HydrophobicContact CE1-CG2 3.92Å; F60-V78 HydrophobicContact CZ-CG2 3.92Å
61	C	98.1	Very high	96.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	149.4	160.6	-53.9	0	0	0	0	109.7	C41 D49 S63 C64 L65 R116	C41-C61 VanDerWaalsContact CB-SG 3.54Å; C41-C61 PolarHBondContact SG-N 3.38Å; C41-C61 VanDerWaalsContact SG-SG 3.66Å; D49-C61 PolarHBondContact N-SG 3.38Å; D49-C61 VanDerWaalsContact O-CA 3.28Å; D49-C61 WeakPolarHBondContact O-CA 3.35Å; D49-C61 VanDerWaalsContact O-CB 3.25Å; D49-C61 WeakPolarHBondContact O-CB 3.4Å; C61-S63 VanDerWaalsContact C-N 3.28Å; C61-S63 PolarHBondContact O-N 3.13Å; C61-C64 HydrophobicContact CB-CB 4.05Å; C61-C64 PolarHBondContact O-N 3.44Å; C61-C64 VanDerWaalsContact O-N 3.12Å; C61-L65 PolarHBondContact O-N 3.37Å; C61-R116 PolarHBondContact SG-NH2 3.15Å
62	Q	97.4	Very high	95.4	Very high	69 Å²	69	58.5 Å²	58.5	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-54.7	-44.8	176.7	-177.5	176.2	-18.8	0	0	112.1	S50 V52 L65 Q66	S50-Q62 WeakPolarHBondContact O-CB 3.15Å; S50-Q62 PolarHBondContact O-N 2.94Å; V52-Q62 HydrophobicContact CG1-CB 4.23Å; Q62-L65 PolarHBondContact O-N 3.36Å; Q62-Q66 WeakPolarHBondContact O-CG 3.3Å; Q62-Q66 PolarHBondContact O-N 3.3Å; Q62-Q66 VanDerWaalsContact O-N 3.11Å
63	S	97.3	Very high	95	Very high	67 Å²	67	66 Å²	66	47%	0.469	34%	0.342	S	S	.	.	H	α-helix	trans	-64.1	-41.5	176.9	53.7	0	0	0	0	112.8	C61 L65 Q66 E67	C61-S63 VanDerWaalsContact C-N 3.28Å; C61-S63 PolarHBondContact O-N 3.13Å; S63-L65 PolarHBondContact O-N 3.14Å; S63-Q66 WeakPolarHBondContact O-CB 3.44Å; S63-Q66 PolarHBondContact O-N 3.08Å; S63-E67 PolarHBondContact O-N 3.26Å
64	C	97.9	Very high	94.7	Very high	13 Å²	13	65.5 Å²	65.5	9%	0.088	34%	0.339	C	S	.	.	H	α-helix	trans	-65	-38.9	176.6	-65.7	0	0	0	0	112.2	V43 F60 C61 Q66 E67 C68	V43-C64 HydrophobicContact CB-CB 3.85Å; V43-C64 HydrophobicContact CG1-CB 3.86Å; V43-C64 HydrophobicContact CG2-CB 4.32Å; F60-C64 HydrophobicContact CB-CB 4.48Å; C61-C64 HydrophobicContact CB-CB 4.05Å; C61-C64 PolarHBondContact O-N 3.44Å; C61-C64 VanDerWaalsContact O-N 3.12Å; C64-Q66 VanDerWaalsContact C-N 3.34Å; C64-E67 VanDerWaalsContact O-CB 3.31Å; C64-E67 WeakPolarHBondContact O-CB 3.29Å; C64-E67 PolarHBondContact O-N 3Å; C64-C68 PolarHBondContact O-N 2.92Å; C64-C68 PolarHBondContact O-SG 3.39Å; C64-C68 VanDerWaalsContact O-SG 3.4Å
65	L	96.8	Very high	94.6	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-65.3	-40.2	175.6	-179.7	61.8	0	0	0	111.3	V52 T54 F60 C61 Q62 S63 E67 C68 L69 L83 W86	V52-L65 HydrophobicContact CB-CD2 4.29Å; V52-L65 HydrophobicContact CG2-CB 3.83Å; V52-L65 HydrophobicContact CG2-CD2 3.52Å; V52-L65 HydrophobicContact CG2-CG 4.31Å; T54-L65 HydrophobicContact CG2-CD1 3.72Å; T54-L65 HydrophobicContact CG2-CD2 4.22Å; F60-L65 HydrophobicContact CB-CB 4.23Å; F60-L65 HydrophobicContact CD2-CD1 4.26Å; C61-L65 PolarHBondContact O-N 3.37Å; Q62-L65 PolarHBondContact O-N 3.36Å; S63-L65 PolarHBondContact O-N 3.14Å; L65-E67 PolarHBondContact O-N 3.09Å; L65-C68 WeakPolarHBondContact O-CB 3.27Å; L65-C68 PolarHBondContact O-N 3.46Å; L65-C68 VanDerWaalsContact O-N 3.08Å; L65-L69 HydrophobicContact CD1-CG 4.46Å; L65-L69 HydrophobicContact CG-CD1 4.13Å; L65-L69 HydrophobicContact CG-CG 4.42Å; L65-L69 WeakPolarHBondContact O-CG 3.38Å; L65-L69 PolarHBondContact O-N 2.86Å; L65-L69 VanDerWaalsContact O-N 3.07Å; L65-L83 HydrophobicContact CD1-CD1 3.94Å; L65-L83 HydrophobicContact CD1-CD2 4.43Å; L65-W86 HydrophobicContact CD2-CB 3.7Å; L65-W86 HydrophobicContact CD2-CD2 3.85Å; L65-W86 HydrophobicContact CD2-CG 3.45Å; L65-W86 VanDerWaalsContact CD2-CG 3.45Å
66	Q	96	Very high	94.6	Very high	116 Å²	116	63.1 Å²	63.1	54%	0.542	33%	0.333	S	S	.	.	H	α-helix	trans	-57.9	-38.4	176.4	-73.4	174.2	-34.9	0	0	112	Q62 S63 C64 L69 R70	Q62-Q66 WeakPolarHBondContact O-CG 3.3Å; Q62-Q66 PolarHBondContact O-N 3.3Å; Q62-Q66 VanDerWaalsContact O-N 3.11Å; S63-Q66 WeakPolarHBondContact O-CB 3.44Å; S63-Q66 PolarHBondContact O-N 3.08Å; C64-Q66 VanDerWaalsContact C-N 3.34Å; Q66-L69 PolarHBondContact O-N 2.65Å; Q66-R70 PolarHBondContact O-N 3.11Å
67	E	95.4	Very high	94.5	Very high	101 Å²	101	64.1 Å²	64.1	47%	0.472	34%	0.344	S	S	.	.	H	α-helix	trans	-59.6	-46.2	173.5	-164.7	67.8	-155.4	0	0	111.9	S63 C64 L65 L69 R70	S63-E67 PolarHBondContact O-N 3.26Å; C64-E67 VanDerWaalsContact O-CB 3.31Å; C64-E67 WeakPolarHBondContact O-CB 3.29Å; C64-E67 PolarHBondContact O-N 3Å; L65-E67 PolarHBondContact O-N 3.09Å; E67-L69 PolarHBondContact O-N 2.97Å; E67-R70 PolarHBondContact O-N 3.25Å; E67-R70 IonicContact OE1-CZ 2.91Å; E67-R70 IonicContact OE1-NH1 2.69Å; E67-R70 PolarHBondContact OE1-NH1 2.97Å; E67-R70 IonicContact OE1-NH2 3.82Å; E67-R70 PolarHBondContact OE1-NH2 3.37Å; E67-R70 IonicContact OE2-CZ 3.2Å; E67-R70 IonicContact OE2-NH1 3.2Å; E67-R70 IonicContact OE2-NH2 2.89Å; E67-R70 PolarHBondContact OE2-NH2 2.78Å
68	C	93	Very high	94.6	Very high	22 Å²	22	64.9 Å²	64.9	15%	0.149	34%	0.338	C	S	.	.	H	α-helix	trans	-66.7	-20.6	178.3	-61.8	0	0	0	0	113.6	C64 L65 P71 P74 L83	C64-C68 PolarHBondContact O-N 2.92Å; C64-C68 PolarHBondContact O-SG 3.39Å; C64-C68 VanDerWaalsContact O-SG 3.4Å; L65-C68 WeakPolarHBondContact O-CB 3.27Å; L65-C68 PolarHBondContact O-N 3.46Å; L65-C68 VanDerWaalsContact O-N 3.08Å; C68-P71 WeakPolarHBondContact O-CD 3.43Å; C68-P74 WeakPolarHBondContact O-CB 3.3Å; C68-L83 HydrophobicContact CB-CD1 3.88Å
69	L	94	Very high	94.5	Very high	60 Å²	60	65 Å²	65	31%	0.314	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-9.5	178.6	-68.7	172.4	0	0	0	113.6	L65 Q66 E67 P74 L83	L65-L69 HydrophobicContact CD1-CG 4.46Å; L65-L69 HydrophobicContact CG-CD1 4.13Å; L65-L69 HydrophobicContact CG-CG 4.42Å; L65-L69 WeakPolarHBondContact O-CG 3.38Å; L65-L69 PolarHBondContact O-N 2.86Å; L65-L69 VanDerWaalsContact O-N 3.07Å; Q66-L69 PolarHBondContact O-N 2.65Å; E67-L69 PolarHBondContact O-N 2.97Å; L69-P74 HydrophobicContact CD2-CB 3.98Å; L69-P74 HydrophobicContact CD2-CG 4.25Å; L69-L83 HydrophobicContact CD2-CB 3.71Å; L69-L83 HydrophobicContact CD2-CD1 4.11Å
70	R	92.4	Very high	94.4	Very high	160 Å²	160	73.5 Å²	73.5	60%	0.604	37%	0.373	S	S	*	.	S	Bend	trans	-66.3	-40.7	-178.8	-165.9	-170.9	-57.8	100.4	-4.7	114.7	Q66 E67	Q66-R70 PolarHBondContact O-N 3.11Å; E67-R70 PolarHBondContact O-N 3.25Å; E67-R70 IonicContact OE1-CZ 2.91Å; E67-R70 IonicContact OE1-NH1 2.69Å; E67-R70 PolarHBondContact OE1-NH1 2.97Å; E67-R70 IonicContact OE1-NH2 3.82Å; E67-R70 PolarHBondContact OE1-NH2 3.37Å; E67-R70 IonicContact OE2-CZ 3.2Å; E67-R70 IonicContact OE2-NH1 3.2Å; E67-R70 IonicContact OE2-NH2 2.89Å; E67-R70 PolarHBondContact OE2-NH2 2.78Å
71	P	90.3	Very high	94.2	Very high	75 Å²	75	74.9 Å²	74.9	49%	0.487	39%	0.385	S	S	.	.	S	Bend	trans	-62.7	153	180	-22.7	34.8	0	0	0	112.6	C68 K73	C68-P71 WeakPolarHBondContact O-CD 3.43Å; P71-K73 PolarHBondContact O-N 3.18Å; P71-K73 VanDerWaalsContact O-N 3.15Å
72	Q	82.9	Confident	94	Very high	192 Å²	192	79.5 Å²	79.5	90%	0.897	41%	0.414	S	S	*	.	S	Bend	trans	-57.2	-31.4	-179.4	-67.1	-67.4	-11.5	0	0	113.7
73	K	89.1	Confident	93.8	Very high	159 Å²	159	77 Å²	77	69%	0.691	40%	0.403	S	S	*	.	S	Bend	trans	-121.1	86.5	174.6	-67.2	-177.8	-179.4	-179.6	0	108.3	P71	P71-K73 PolarHBondContact O-N 3.18Å; P71-K73 VanDerWaalsContact O-N 3.15Å
74	P	92.3	Very high	93.3	Very high	32 Å²	32	76.2 Å²	76.2	21%	0.208	41%	0.405	C	S	.	.			trans	-74.7	134.4	-173	31.1	-36.1	0	0	0	111.3	C68 L69 L83	C68-P74 WeakPolarHBondContact O-CB 3.3Å; L69-P74 HydrophobicContact CD2-CB 3.98Å; L69-P74 HydrophobicContact CD2-CG 4.25Å; P74-L83 HydrophobicContact CB-CB 4.23Å; P74-L83 HydrophobicContact CG-CB 4.45Å; P74-L83 PolarHBondContact O-N 3.49Å
75	V	94.9	Very high	93	Very high	72 Å²	72	82.5 Å²	82.5	44%	0.436	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-132.1	149.5	-176.8	-65.2	0	0	0	0	111.2	A77 A81 L83	V75-A77 PolarHBondContact O-N 3.2Å; V75-A81 WeakPolarHBondContact CA-O 3.31Å; V75-L83 VanDerWaalsContact C-CD1 3.49Å; V75-L83 WeakPolarHBondContact O-CD1 3.04Å
76	C	95.5	Very high	93	Very high	1 Å²	1	87.8 Å²	87.8	1%	0.007	45%	0.453	C	S	.	.			trans	-62.2	129.2	176.3	177.3	0	0	0	0	110.7	V78 C79 R80 A81 L83	C76-V78 PolarHBondContact O-N 2.99Å; C76-V78 VanDerWaalsContact O-N 3.13Å; C76-V78 PolarHBondContact SG-N 3.03Å; C76-V78 VanDerWaalsContact SG-N 3.45Å; C76-C79 VanDerWaalsContact SG-SG 3.62Å; C76-R80 WeakPolarHBondContact O-CA 3.33Å; C76-R80 PolarHBondContact O-N 3.47Å; C76-A81 PolarHBondContact N-O 3.06Å; C76-L83 HydrophobicContact CB-CD2 4Å; C76-L83 HydrophobicContact CB-CG 4.49Å
77	A	94.4	Very high	93	Very high	62 Å²	62	85.1 Å²	85.1	51%	0.512	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.9	179	0	0	0	0	0	113.8	V43 F60 V75	V43-A77 HydrophobicContact CG2-CB 3.98Å; F60-A77 HydrophobicContact CE1-CB 4.12Å; V75-A77 PolarHBondContact O-N 3.2Å
78	V	96.2	Very high	93.1	Very high	70 Å²	70	87 Å²	87	42%	0.424	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-52.3	-178.3	-173.8	0	0	0	0	111.9	P42 H58 F60 C76	P42-V78 HydrophobicContact CB-CG2 4.08Å; P42-V78 HydrophobicContact CG-CG2 3.83Å; H58-V78 HydrophobicContact CB-CB 4.43Å; H58-V78 HydrophobicContact CB-CG2 4.3Å; H58-V78 VanDerWaalsContact CD2-CG1 3.44Å; H58-V78 WeakPolarHBondContact CD2-CG1 3.29Å; H58-V78 VanDerWaalsContact NE2-CG1 3.28Å; H58-V78 WeakPolarHBondContact NE2-CG1 3.31Å; F60-V78 HydrophobicContact CE1-CG2 3.92Å; F60-V78 HydrophobicContact CZ-CG2 3.92Å; C76-V78 PolarHBondContact O-N 2.99Å; C76-V78 VanDerWaalsContact O-N 3.13Å; C76-V78 PolarHBondContact SG-N 3.03Å; C76-V78 VanDerWaalsContact SG-N 3.45Å
79	C	95.4	Very high	93.2	Very high	58 Å²	58	86.5 Å²	86.5	39%	0.392	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	0.8	-173.7	68.1	0	0	0	0	115	H58 C76 A81	H58-C79 VanDerWaalsContact CE1-SG 3.6Å; H58-C79 PolarHBondContact ND1-SG 3.41Å; C76-C79 VanDerWaalsContact SG-SG 3.62Å; C79-A81 PolarHBondContact O-N 3.04Å; C79-A81 VanDerWaalsContact SG-CB 3.58Å
80	R	94.9	Very high	93.3	Very high	210 Å²	210	87.5 Å²	87.5	79%	0.792	46%	0.464	S	S	*	.			trans	60.5	9.2	-178.3	-52.8	-179.7	179.6	-131.8	-0.9	115.7	C76	C76-R80 WeakPolarHBondContact O-CA 3.33Å; C76-R80 PolarHBondContact O-N 3.47Å
81	A	95.1	Very high	93.4	Very high	30 Å²	30	86.6 Å²	86.6	25%	0.248	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-61.9	146.4	172.6	0	0	0	0	0	111	C56 V75 C76 C79 L83	C56-A81 HydrophobicContact CB-CB 3.88Å; V75-A81 WeakPolarHBondContact CA-O 3.31Å; C76-A81 PolarHBondContact N-O 3.06Å; C79-A81 PolarHBondContact O-N 3.04Å; C79-A81 VanDerWaalsContact SG-CB 3.58Å; A81-L83 PolarHBondContact O-N 3.36Å
82	P	93.1	Very high	93.6	Very high	96 Å²	96	84.7 Å²	84.7	62%	0.623	46%	0.457	S	S	*	.	B	Isolated β-bridge	trans	-56.5	135.8	176.6	-24.2	33.6	0	0	0	112
83	L	93.4	Very high	94.1	Very high	17 Å²	17	78.6 Å²	78.6	9%	0.089	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-94.5	126.1	175.4	-65.4	175.4	0	0	0	109.8	T54 L65 C68 L69 P74 V75 C76 A81	T54-L83 HydrophobicContact CG2-CD2 3.66Å; L65-L83 HydrophobicContact CD1-CD1 3.94Å; L65-L83 HydrophobicContact CD1-CD2 4.43Å; C68-L83 HydrophobicContact CB-CD1 3.88Å; L69-L83 HydrophobicContact CD2-CB 3.71Å; L69-L83 HydrophobicContact CD2-CD1 4.11Å; P74-L83 HydrophobicContact CB-CB 4.23Å; P74-L83 HydrophobicContact CG-CB 4.45Å; P74-L83 PolarHBondContact O-N 3.49Å; V75-L83 VanDerWaalsContact C-CD1 3.49Å; V75-L83 WeakPolarHBondContact O-CD1 3.04Å; C76-L83 HydrophobicContact CB-CD2 4Å; C76-L83 HydrophobicContact CB-CG 4.49Å; A81-L83 PolarHBondContact O-N 3.36Å
84	G	87.1	Confident	94.4	Very high	50 Å²	50	73.7 Å²	73.7	52%	0.515	42%	0.417	S	S	.	.			trans	-142.1	-45.8	176.8	0	0	0	0	0	112.6
85	H	91.6	Very high	94.5	Very high	146 Å²	146	75 Å²	75	68%	0.676	42%	0.422	S	S	*	.			trans	-122.6	145.6	178.2	-63.2	84.6	0	0	0	112.2	Q55	Q55-H85 PolarHBondContact N-O 3.36Å; Q55-H85 VanDerWaalsContact N-O 3.07Å
86	W	95.8	Very high	94.5	Very high	114 Å²	114	71.9 Å²	71.9	43%	0.432	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	155.4	175.7	56.4	-90.9	0	0	0	110.3	V52 T53 T54 L65	V52-W86 HydrophobicContact CB-CE3 3.9Å; V52-W86 HydrophobicContact CB-CZ3 4.43Å; V52-W86 HydrophobicContact CG1-CE3 3.62Å; V52-W86 HydrophobicContact CG1-CZ3 3.65Å; T53-W86 VanDerWaalsContact O-CA 3.3Å; T53-W86 WeakPolarHBondContact O-CA 3.49Å; T54-W86 HydrophobicContact CG2-CB 4.47Å; L65-W86 HydrophobicContact CD2-CB 3.7Å; L65-W86 HydrophobicContact CD2-CD2 3.85Å; L65-W86 HydrophobicContact CD2-CG 3.45Å; L65-W86 VanDerWaalsContact CD2-CG 3.45Å
87	A	96.9	Very high	94.4	Very high	61 Å²	61	77.5 Å²	77.5	50%	0.504	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.3	177.2	0	0	0	0	0	110.1	V52 T53	V52-A87 CarbonylContact C-O 3.39Å; V52-A87 WeakPolarHBondContact CA-O 3.47Å; T53-A87 PolarHBondContact N-O 2.98Å; T53-A87 PolarHBondContact O-N 3.49Å
88	K	97.1	Very high	94.4	Very high	139 Å²	139	79.9 Å²	79.9	60%	0.604	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.2	135.6	172.9	-66.5	-171	175.8	-169.4	0	110.1	T90	K88-T90 VanDerWaalsContact C-N 3.32Å; K88-T90 HydrophobicContact CB-CG2 4.28Å; K88-T90 PolarHBondContact O-N 3.37Å
89	A	95.9	Very high	94.2	Very high	12 Å²	12	77.5 Å²	77.5	10%	0.099	42%	0.424	C	S	.	.			trans	-90.3	69.4	177	0	0	0	0	0	109.9	P51 T53 T59 D91 L92 E93	P51-A89 HydrophobicContact CB-CB 4.03Å; P51-A89 HydrophobicContact CG-CB 4.24Å; P51-A89 PolarHBondContact O-N 2.94Å; T53-A89 WeakPolarHBondContact OG1-CB 3.44Å; T59-A89 HydrophobicContact CG2-CB 4.18Å; A89-D91 VanDerWaalsContact C-N 3.27Å; A89-D91 PolarHBondContact O-N 3.45Å; A89-L92 HydrophobicContact CB-CB 4Å; A89-L92 PolarHBondContact O-N 3.36Å; A89-L92 VanDerWaalsContact O-N 3.14Å; A89-E93 PolarHBondContact O-N 3.19Å
90	T	95.3	Very high	94.2	Very high	82 Å²	82	80.6 Å²	80.6	50%	0.503	43%	0.434	S	S	.	.	H	α-helix	trans	-59.8	-36	-173.9	51.3	0	0	0	0	113	K88 E93 A94	K88-T90 VanDerWaalsContact C-N 3.32Å; K88-T90 HydrophobicContact CB-CG2 4.28Å; K88-T90 PolarHBondContact O-N 3.37Å; T90-E93 PolarHBondContact O-N 3.46Å; T90-A94 WeakPolarHBondContact O-CB 3.41Å; T90-A94 PolarHBondContact O-N 3.09Å
91	D	94.2	Very high	94	Very high	140 Å²	140	71.4 Å²	71.4	75%	0.749	40%	0.403	S	S	*	.	H	α-helix	trans	-66.9	-40.3	178.5	-59.8	-31.2	0	0	0	111.5	A89 L95	A89-D91 VanDerWaalsContact C-N 3.27Å; A89-D91 PolarHBondContact O-N 3.45Å; D91-L95 WeakPolarHBondContact O-CB 3.47Å; D91-L95 PolarHBondContact O-N 3.1Å
92	L	94.4	Very high	94	Very high	36 Å²	36	72.3 Å²	72.3	19%	0.188	41%	0.41	C	S	.	.	H	α-helix	trans	-68.8	-42.2	176.3	-175.5	64.1	0	0	0	111	F39 F48 P51 T59 A89 A94 L95 I96	F39-L92 HydrophobicContact CD1-CD1 3.74Å; F39-L92 HydrophobicContact CE1-CD1 3.87Å; F48-L92 HydrophobicContact CD2-CD2 3.72Å; F48-L92 HydrophobicContact CE2-CD2 3.86Å; F48-L92 HydrophobicContact CG-CD2 4.32Å; P51-L92 HydrophobicContact CB-CD2 3.94Å; P51-L92 HydrophobicContact CG-CB 4.44Å; P51-L92 HydrophobicContact CG-CD2 4.36Å; P51-L92 HydrophobicContact CG-CG 4.45Å; T59-L92 HydrophobicContact CG2-CD2 3.69Å; A89-L92 HydrophobicContact CB-CB 4Å; A89-L92 PolarHBondContact O-N 3.36Å; A89-L92 VanDerWaalsContact O-N 3.14Å; L92-A94 PolarHBondContact O-N 3.41Å; L92-L95 PolarHBondContact O-N 3.02Å; L92-I96 HydrophobicContact CG-CD1 4.02Å; L92-I96 VanDerWaalsContact O-CG1 3.27Å; L92-I96 WeakPolarHBondContact O-CG1 3.42Å; L92-I96 PolarHBondContact O-N 2.89Å
93	E	94.4	Very high	94	Very high	63 Å²	63	67.9 Å²	67.9	29%	0.294	38%	0.382	S	S	.	.	H	α-helix	trans	-58.5	-46.6	175.7	-171	170.7	-154.4	0	0	111.3	P51 A89 T90 L95 I96 H97	P51-E93 HydrophobicContact CG-CB 3.91Å; A89-E93 PolarHBondContact O-N 3.19Å; T90-E93 PolarHBondContact O-N 3.46Å; E93-L95 VanDerWaalsContact C-N 3.33Å; E93-L95 PolarHBondContact O-N 3.02Å; E93-I96 PolarHBondContact O-N 3.29Å; E93-H97 PolarHBondContact O-CD2 3.26Å; E93-H97 PolarHBondContact O-N 3.19Å
94	A	94.8	Very high	93.9	Very high	56 Å²	56	72.5 Å²	72.5	46%	0.463	40%	0.401	S	S	.	.	H	α-helix	trans	-61.8	-39.2	175.7	0	0	0	0	0	112.7	T90 L92 H97 T98	T90-A94 WeakPolarHBondContact O-CB 3.41Å; T90-A94 PolarHBondContact O-N 3.09Å; L92-A94 PolarHBondContact O-N 3.41Å; A94-H97 PolarHBondContact O-N 3.28Å; A94-T98 PolarHBondContact O-N 2.96Å; A94-T98 PolarHBondContact O-OG1 2.83Å
95	L	94.1	Very high	94.2	Very high	60 Å²	60	71.2 Å²	71.2	31%	0.314	39%	0.388	S	S	.	.	H	α-helix	trans	-67.5	-38.3	177.2	-171.7	59.2	0	0	0	111.7	F39 D91 L92 E93 H97 T98 S99	F39-L95 HydrophobicContact CE1-CB 4.09Å; F39-L95 HydrophobicContact CE1-CD2 3.58Å; F39-L95 HydrophobicContact CE1-CG 3.58Å; F39-L95 HydrophobicContact CZ-CD2 3.62Å; F39-L95 HydrophobicContact CZ-CG 3.61Å; D91-L95 WeakPolarHBondContact O-CB 3.47Å; D91-L95 PolarHBondContact O-N 3.1Å; L92-L95 PolarHBondContact O-N 3.02Å; E93-L95 VanDerWaalsContact C-N 3.33Å; E93-L95 PolarHBondContact O-N 3.02Å; L95-H97 VanDerWaalsContact C-N 3.33Å; L95-H97 PolarHBondContact O-N 3.35Å; L95-T98 PolarHBondContact O-N 2.78Å; L95-T98 PolarHBondContact O-OG1 3.09Å; L95-S99 WeakPolarHBondContact O-CB 3.49Å; L95-S99 PolarHBondContact O-N 3.43Å; L95-S99 PolarHBondContact O-OG 3.36Å
96	I	94.7	Very high	94.4	Very high	7 Å²	7	66.3 Å²	66.3	4%	0.036	37%	0.37	C	S	.	.	H	α-helix	trans	-62.7	-40.4	173.9	-70.5	163.8	0	0	0	111	F39 I47 F48 P51 L92 E93 T98 L112	F39-I96 HydrophobicContact CB-CG1 4.28Å; F39-I96 HydrophobicContact CD1-CD1 4.22Å; F39-I96 HydrophobicContact CD1-CG1 3.43Å; F39-I96 VanDerWaalsContact CD1-CG1 3.43Å; F39-I96 HydrophobicContact CE1-CG1 4.07Å; F39-I96 HydrophobicContact CG-CG1 4.12Å; I47-I96 HydrophobicContact CG2-CG2 4.28Å; F48-I96 HydrophobicContact CB-CD1 3.73Å; F48-I96 HydrophobicContact CD2-CD1 4.37Å; P51-I96 HydrophobicContact CG-CD1 4.43Å; L92-I96 HydrophobicContact CG-CD1 4.02Å; L92-I96 VanDerWaalsContact O-CG1 3.27Å; L92-I96 WeakPolarHBondContact O-CG1 3.42Å; L92-I96 PolarHBondContact O-N 2.89Å; E93-I96 PolarHBondContact O-N 3.29Å; I96-T98 VanDerWaalsContact C-N 3.28Å; I96-T98 PolarHBondContact O-N 3.18Å; I96-L112 HydrophobicContact CG2-CB 3.91Å
97	H	93.7	Very high	94.2	Very high	118 Å²	118	63.4 Å²	63.4	55%	0.546	38%	0.375	S	S	.	.	H	α-helix	trans	-66.8	-27.8	179.2	-80.5	-64.4	0	0	0	114.1	E93 A94 L95	E93-H97 PolarHBondContact O-CD2 3.26Å; E93-H97 PolarHBondContact O-N 3.19Å; A94-H97 PolarHBondContact O-N 3.28Å; L95-H97 VanDerWaalsContact C-N 3.33Å; L95-H97 PolarHBondContact O-N 3.35Å
98	T	93.4	Very high	94.1	Very high	113 Å²	113	62.5 Å²	62.5	69%	0.693	37%	0.368	S	S	*	.	H	α-helix	trans	-98.6	-12.3	-177.6	44.7	0	0	0	0	113.8	A94 L95 I96	A94-T98 PolarHBondContact O-N 2.96Å; A94-T98 PolarHBondContact O-OG1 2.83Å; L95-T98 PolarHBondContact O-N 2.78Å; L95-T98 PolarHBondContact O-OG1 3.09Å; I96-T98 VanDerWaalsContact C-N 3.28Å; I96-T98 PolarHBondContact O-N 3.18Å
99	S	93.1	Very high	94	Very high	20 Å²	20	61.9 Å²	61.9	14%	0.14	37%	0.367	C	S	.	.			trans	-92.9	149.8	-177	-61.9	0	0	0	0	112.7	L95 L112	L95-S99 WeakPolarHBondContact O-CB 3.49Å; L95-S99 PolarHBondContact O-N 3.43Å; L95-S99 PolarHBondContact O-OG 3.36Å; S99-L112 PolarHBondContact O-N 3.08Å
100	M	94.5	Very high	94	Very high	122 Å²	122	62.1 Å²	62.1	60%	0.601	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.6	148.4	175.2	-59.7	-177.1	75.8	0	0	109.8	Q109	M100-Q109 HydrophobicContact CE-CB 4.05Å
101	A	92.3	Very high	94	Very high	17 Å²	17	59 Å²	59	14%	0.14	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	158.3	171.8	0	0	0	0	0	111.2	V110 L112 M115	A101-V110 PolarHBondContact N-O 3.13Å; A101-V110 PolarHBondContact O-N 3.42Å; A101-V110 VanDerWaalsContact O-O 3.13Å; A101-L112 HydrophobicContact CB-CD2 3.51Å; A101-L112 HydrophobicContact CB-CG 4.47Å; A101-M115 HydrophobicContact CB-CE 4.03Å; A101-M115 VanDerWaalsContact O-CE 3.31Å; A101-M115 WeakPolarHBondContact O-CE 3.42Å
102	A	94.2	Very high	94	Very high	49 Å²	49	52.6 Å²	52.6	41%	0.405	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	131.4	174.7	0	0	0	0	0	110.1	K104 A108 Q109	A102-K104 PolarHBondContact O-N 3.16Å; A102-A108 CarbonylContact C-O 3.49Å; A102-A108 WeakPolarHBondContact CA-O 3.21Å; A102-Q109 VanDerWaalsContact CB-OE1 3.26Å
103	C	93.9	Very high	94	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.02	33%	0.327	C	S	.	.			trans	-63.4	126.8	168.2	172.1	0	0	0	0	109.9	G105 C106 G107 A108 M115 H118	C103-G105 PolarHBondContact O-N 3.47Å; C103-G105 PolarHBondContact SG-N 3.36Å; C103-C106 VanDerWaalsContact SG-SG 3.7Å; C103-G107 WeakPolarHBondContact O-CA 3.29Å; C103-G107 PolarHBondContact O-N 2.9Å; C103-A108 PolarHBondContact N-O 2.87Å; C103-M115 HydrophobicContact CB-SD 4.39Å; C103-H118 WeakPolarHBondContact CB-NE2 3.26Å; C103-H118 PolarHBondContact SG-NE2 2.63Å
104	K	91.3	Very high	94	Very high	114 Å²	114	57.1 Å²	57.1	50%	0.496	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.3	-178.4	-60.6	-65.7	-176.1	178.1	0	113.9	D35 A102 Y125 Y128	D35-K104 WeakPolarHBondContact OD1-CE 3.33Å; D35-K104 IonicContact OD1-NZ 3.36Å; D35-K104 PolarHBondContact OD1-NZ 3.46Å; A102-K104 PolarHBondContact O-N 3.16Å; K104-Y125 HydrophobicContact CB-CD2 4.45Å; K104-Y125 HydrophobicContact CB-CE2 4.2Å; K104-Y128 HydrophobicContact CB-CD1 4.12Å; K104-Y128 HydrophobicContact CB-CD2 4.38Å; K104-Y128 HydrophobicContact CB-CE1 3.85Å; K104-Y128 HydrophobicContact CB-CE2 4.11Å; K104-Y128 HydrophobicContact CB-CG 4.38Å; K104-Y128 HydrophobicContact CG-CE1 4.49Å
105	G	92.7	Very high	94	Very high	24 Å²	24	55.1 Å²	55.1	25%	0.247	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-58.6	178	0	0	0	0	0	113.3	C103 K124	C103-G105 PolarHBondContact O-N 3.47Å; C103-G105 PolarHBondContact SG-N 3.36Å; G105-K124 WeakPolarHBondContact CA-O 3.33Å
106	C	95.1	Very high	94	Very high	43 Å²	43	54.8 Å²	54.8	29%	0.291	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-12.9	-174.2	71.9	0	0	0	0	115.2	C103 A108 H118 K124	C103-C106 VanDerWaalsContact SG-SG 3.7Å; C106-A108 PolarHBondContact O-N 3.04Å; C106-A108 WeakPolarHBondContact SG-CB 3.42Å; C106-A108 PolarHBondContact SG-N 2.73Å; C106-H118 VanDerWaalsContact SG-CE1 3.57Å; C106-H118 PolarHBondContact SG-NE2 3.43Å; C106-H118 VanDerWaalsContact SG-NE2 3.36Å; C106-K124 HydrophobicContact CB-CB 4.07Å; C106-K124 HydrophobicContact CB-CD 3.7Å; C106-K124 HydrophobicContact CB-CG 4.39Å
107	G	93.1	Very high	94	Very high	52 Å²	52	57 Å²	57	54%	0.536	34%	0.344	S	S	.	.			trans	75	-0	-176.6	0	0	0	0	0	115.1	C103	C103-G107 WeakPolarHBondContact O-CA 3.29Å; C103-G107 PolarHBondContact O-N 2.9Å
108	A	94.3	Very high	94.1	Very high	43 Å²	43	53.7 Å²	53.7	36%	0.355	33%	0.329	S	S	.	.			trans	-68.3	140.4	179.8	0	0	0	0	0	111.2	A102 C103 C106 V110	A102-A108 CarbonylContact C-O 3.49Å; A102-A108 WeakPolarHBondContact CA-O 3.21Å; C103-A108 PolarHBondContact N-O 2.87Å; C106-A108 PolarHBondContact O-N 3.04Å; C106-A108 WeakPolarHBondContact SG-CB 3.42Å; C106-A108 PolarHBondContact SG-N 2.73Å; A108-V110 HydrophobicContact CB-CG2 4.33Å; A108-V110 PolarHBondContact O-N 3.01Å
109	Q	95.5	Very high	94.1	Very high	125 Å²	125	49.1 Å²	49.1	58%	0.584	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	114.1	172.4	-66.2	-71.3	72.5	0	0	109.3	M100 A102	M100-Q109 HydrophobicContact CE-CB 4.05Å; A102-Q109 VanDerWaalsContact CB-OE1 3.26Å
110	V	94.7	Very high	94.2	Very high	17 Å²	17	52.6 Å²	52.6	10%	0.103	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.6	-178.1	-174.2	0	0	0	0	108.6	A101 A108 Q114 M115 H118	A101-V110 PolarHBondContact N-O 3.13Å; A101-V110 PolarHBondContact O-N 3.42Å; A101-V110 VanDerWaalsContact O-O 3.13Å; A108-V110 HydrophobicContact CB-CG2 4.33Å; A108-V110 PolarHBondContact O-N 3.01Å; V110-Q114 HydrophobicContact CG1-CB 4.14Å; V110-M115 HydrophobicContact CB-CE 3.81Å; V110-M115 HydrophobicContact CB-SD 4.11Å; V110-M115 HydrophobicContact CG1-SD 4.43Å; V110-H118 HydrophobicContact CG1-CB 3.99Å; V110-H118 HydrophobicContact CG2-CB 4.46Å
111	G	95.3	Very high	94.2	Very high	18 Å²	18	51 Å²	51	19%	0.186	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	136.7	172.5	0	0	0	0	0	110.3	S113 Q114 M115	G111-S113 PolarHBondContact O-N 3.27Å; G111-Q114 PolarHBondContact O-N 3.33Å; G111-M115 PolarHBondContact O-N 2.95Å; G111-M115 VanDerWaalsContact O-N 3.14Å
112	L	94.1	Very high	94.4	Very high	4 Å²	4	51 Å²	51	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-59	-37.1	-173.3	-71.4	-173.8	0	0	0	112.6	F39 I47 I96 S99 A101 Q114 M115	F39-L112 HydrophobicContact CB-CD1 3.98Å; F39-L112 HydrophobicContact CD1-CD1 4.26Å; F39-L112 HydrophobicContact CD2-CD1 3.15Å; F39-L112 HydrophobicContact CE2-CD1 3.6Å; F39-L112 HydrophobicContact CG-CD1 3.53Å; F39-L112 HydrophobicContact CZ-CD1 4.32Å; I47-L112 HydrophobicContact CD1-CD2 3.91Å; I47-L112 HydrophobicContact CG1-CD2 4.26Å; I47-L112 HydrophobicContact CG2-CB 4.02Å; I47-L112 WeakPolarHBondContact CG2-O 3.48Å; I96-L112 HydrophobicContact CG2-CB 3.91Å; S99-L112 PolarHBondContact O-N 3.08Å; A101-L112 HydrophobicContact CB-CD2 3.51Å; A101-L112 HydrophobicContact CB-CG 4.47Å; L112-Q114 PolarHBondContact O-N 3.42Å; L112-M115 HydrophobicContact CD2-CE 4.43Å; L112-M115 WeakPolarHBondContact O-CB 3.31Å; L112-M115 PolarHBondContact O-N 2.82Å; L112-M115 VanDerWaalsContact O-N 3.09Å
113	S	94.2	Very high	94.5	Very high	57 Å²	57	52.5 Å²	52.5	40%	0.399	34%	0.343	S	S	.	.	H	α-helix	trans	-57.6	-26.2	173.4	57.3	0	0	0	0	114.6	G111	G111-S113 PolarHBondContact O-N 3.27Å
114	Q	94.9	Very high	94.6	Very high	137 Å²	137	57.8 Å²	57.8	64%	0.64	37%	0.366	S	S	*	.	H	α-helix	trans	-102.1	-6.1	179.1	-62.4	177.7	22.1	0	0	112.9	V110 G111 L112 R116 G117 H118	V110-Q114 HydrophobicContact CG1-CB 4.14Å; G111-Q114 PolarHBondContact O-N 3.33Å; L112-Q114 PolarHBondContact O-N 3.42Å; Q114-R116 PolarHBondContact O-N 3.02Å; Q114-G117 PolarHBondContact O-N 2.8Å; Q114-H118 PolarHBondContact O-N 3.42Å
115	M	94.4	Very high	94.7	Very high	14 Å²	14	55 Å²	55	7%	0.069	35%	0.353	C	S	.	.	H	α-helix	trans	-60.9	-41.7	-171.4	-173	65.1	77.1	0	0	112.3	I47 A101 C103 V110 G111 L112 G117 H118 T119	I47-M115 HydrophobicContact CG1-CB 4.02Å; I47-M115 HydrophobicContact CG1-CG 3.98Å; A101-M115 HydrophobicContact CB-CE 4.03Å; A101-M115 VanDerWaalsContact O-CE 3.31Å; A101-M115 WeakPolarHBondContact O-CE 3.42Å; C103-M115 HydrophobicContact CB-SD 4.39Å; V110-M115 HydrophobicContact CB-CE 3.81Å; V110-M115 HydrophobicContact CB-SD 4.11Å; V110-M115 HydrophobicContact CG1-SD 4.43Å; G111-M115 PolarHBondContact O-N 2.95Å; G111-M115 VanDerWaalsContact O-N 3.14Å; L112-M115 HydrophobicContact CD2-CE 4.43Å; L112-M115 WeakPolarHBondContact O-CB 3.31Å; L112-M115 PolarHBondContact O-N 2.82Å; L112-M115 VanDerWaalsContact O-N 3.09Å; M115-G117 PolarHBondContact O-N 3.49Å; M115-H118 WeakPolarHBondContact O-CB 3.42Å; M115-H118 PolarHBondContact O-N 3.2Å; M115-T119 HydrophobicContact CG-CG2 4.23Å; M115-T119 WeakPolarHBondContact O-CG2 3.37Å; M115-T119 PolarHBondContact O-N 3.42Å; M115-T119 PolarHBondContact O-OG1 2.69Å; M115-T119 VanDerWaalsContact O-OG1 3.07Å; M115-T119 HydrophobicContact SD-CG2 4.22Å
116	R	94.3	Very high	94.6	Very high	54 Å²	54	58.7 Å²	58.7	20%	0.204	36%	0.364	C	S	.	.	H	α-helix	trans	-59.3	-44.9	177.6	-70.6	-171.1	-169.3	-108.1	-6.6	112.9	C44 E46 I47 C61 Q114 H118 T119 A120	C44-R116 PolarHBondContact SG-NH1 3.45Å; C44-R116 VanDerWaalsContact SG-NH1 3.36Å; E46-R116 HydrophobicContact CB-CG 4.39Å; E46-R116 VanDerWaalsContact CB-CZ 3.45Å; E46-R116 PolarHBondContact O-NH2 3.07Å; E46-R116 VanDerWaalsContact O-NH2 3.15Å; E46-R116 IonicContact OE2-CZ 2.67Å; E46-R116 IonicContact OE2-NH1 2.7Å; E46-R116 PolarHBondContact OE2-NH1 3.39Å; I47-R116 PolarHBondContact O-NE 2.7Å; I47-R116 PolarHBondContact O-NH2 2.96Å; C61-R116 PolarHBondContact SG-NH2 3.15Å; Q114-R116 PolarHBondContact O-N 3.02Å; R116-H118 VanDerWaalsContact C-N 3.32Å; R116-T119 WeakPolarHBondContact CA-OG1 3.34Å; R116-T119 PolarHBondContact O-N 2.92Å; R116-T119 PolarHBondContact O-OG1 2.96Å; R116-A120 WeakPolarHBondContact O-CB 3.48Å; R116-A120 PolarHBondContact O-N 3Å; R116-A120 VanDerWaalsContact O-N 3.12Å
117	G	95.2	Very high	94.5	Very high	54 Å²	54	62.1 Å²	62.1	56%	0.557	38%	0.375	S	S	*	.	H	α-helix	trans	-66.3	-38	177.2	0	0	0	0	0	111.6	Q114 M115 A121	Q114-G117 PolarHBondContact O-N 2.8Å; M115-G117 PolarHBondContact O-N 3.49Å; G117-A121 PolarHBondContact O-N 3.19Å
118	H	95.7	Very high	94.4	Very high	48 Å²	48	65.2 Å²	65.2	22%	0.222	37%	0.372	C	S	.	.	H	α-helix	trans	-63.5	-50.2	174.3	173.3	81.4	0	0	0	112.2	C103 C106 V110 Q114 M115 R116 A120 A121 C122	C103-H118 WeakPolarHBondContact CB-NE2 3.26Å; C103-H118 PolarHBondContact SG-NE2 2.63Å; C106-H118 VanDerWaalsContact SG-CE1 3.57Å; C106-H118 PolarHBondContact SG-NE2 3.43Å; C106-H118 VanDerWaalsContact SG-NE2 3.36Å; V110-H118 HydrophobicContact CG1-CB 3.99Å; V110-H118 HydrophobicContact CG2-CB 4.46Å; Q114-H118 PolarHBondContact O-N 3.42Å; M115-H118 WeakPolarHBondContact O-CB 3.42Å; M115-H118 PolarHBondContact O-N 3.2Å; R116-H118 VanDerWaalsContact C-N 3.32Å; H118-A120 VanDerWaalsContact C-N 3.27Å; H118-A120 PolarHBondContact O-N 2.69Å; H118-A121 CarbonylContact O-C 3.5Å; H118-A121 PolarHBondContact O-N 3.14Å; H118-C122 WeakPolarHBondContact O-CB 3.23Å; H118-C122 PolarHBondContact O-N 3.02Å
119	T	94.3	Very high	94.3	Very high	17 Å²	17	66.4 Å²	66.4	10%	0.104	37%	0.371	C	S	.	.	H	α-helix	trans	-62.3	-35.7	-178.1	48.6	0	0	0	0	112	M115 R116 A121 C122 Y125	M115-T119 HydrophobicContact CG-CG2 4.23Å; M115-T119 WeakPolarHBondContact O-CG2 3.37Å; M115-T119 PolarHBondContact O-N 3.42Å; M115-T119 PolarHBondContact O-OG1 2.69Å; M115-T119 VanDerWaalsContact O-OG1 3.07Å; M115-T119 HydrophobicContact SD-CG2 4.22Å; R116-T119 WeakPolarHBondContact CA-OG1 3.34Å; R116-T119 PolarHBondContact O-N 2.92Å; R116-T119 PolarHBondContact O-OG1 2.96Å; T119-A121 VanDerWaalsContact C-N 3.28Å; T119-A121 PolarHBondContact O-N 3.44Å; T119-C122 PolarHBondContact O-N 3.49Å; T119-Y125 VanDerWaalsContact CB-CD1 3.43Å; T119-Y125 VanDerWaalsContact CB-CE1 3.48Å; T119-Y125 HydrophobicContact CG2-CD1 3.61Å; T119-Y125 HydrophobicContact CG2-CD2 3.97Å; T119-Y125 HydrophobicContact CG2-CE1 3.5Å; T119-Y125 HydrophobicContact CG2-CE2 3.9Å; T119-Y125 HydrophobicContact CG2-CG 3.83Å
120	A	93.8	Very high	94	Very high	93 Å²	93	64.6 Å²	64.6	77%	0.769	36%	0.363	S	S	*	.	H	α-helix	trans	-64.8	-28.9	173.8	0	0	0	0	0	113.6	R116 H118	R116-A120 WeakPolarHBondContact O-CB 3.48Å; R116-A120 PolarHBondContact O-N 3Å; R116-A120 VanDerWaalsContact O-N 3.12Å; H118-A120 VanDerWaalsContact C-N 3.27Å; H118-A120 PolarHBondContact O-N 2.69Å
121	A	95.8	Very high	93.7	Very high	88 Å²	88	68 Å²	68	73%	0.727	38%	0.378	S	S	*	.	H	α-helix	trans	-101.9	-7.9	-179.8	0	0	0	0	0	114.1	G117 H118 T119 S123	G117-A121 PolarHBondContact O-N 3.19Å; H118-A121 CarbonylContact O-C 3.5Å; H118-A121 PolarHBondContact O-N 3.14Å; T119-A121 VanDerWaalsContact C-N 3.28Å; T119-A121 PolarHBondContact O-N 3.44Å; A121-S123 PolarHBondContact O-N 3.2Å
122	C	96.4	Very high	93.2	Very high	16 Å²	16	68.9 Å²	68.9	11%	0.108	39%	0.386	C	S	.	.			trans	-91	105.1	-173.3	-174.7	0	0	0	0	111.3	H118 T119 K124 Y125 Q126	H118-C122 WeakPolarHBondContact O-CB 3.23Å; H118-C122 PolarHBondContact O-N 3.02Å; T119-C122 PolarHBondContact O-N 3.49Å; C122-K124 VanDerWaalsContact C-N 3.28Å; C122-K124 PolarHBondContact O-N 2.91Å; C122-Y125 WeakPolarHBondContact O-CB 3.31Å; C122-Y125 PolarHBondContact O-N 3.31Å; C122-Q126 PolarHBondContact O-N 3.35Å
123	S	95.7	Very high	92.7	Very high	82 Å²	82	72.9 Å²	72.9	57%	0.573	41%	0.411	S	S	*	.	H	α-helix	trans	-56.7	-40.1	177.6	61.3	0	0	0	0	113.1	A121 Y125 Q126 E127	A121-S123 PolarHBondContact O-N 3.2Å; S123-Y125 VanDerWaalsContact C-N 3.26Å; S123-Y125 PolarHBondContact O-N 3.28Å; S123-Q126 WeakPolarHBondContact O-CB 3.37Å; S123-Q126 PolarHBondContact O-N 3.23Å; S123-E127 PolarHBondContact O-N 3.2Å
124	K	95.2	Very high	92.2	Very high	113 Å²	113	75.2 Å²	75.2	49%	0.491	41%	0.411	S	S	.	.	H	α-helix	trans	-65.6	-28.3	177.7	-63.3	-175.5	177.5	-177.6	0	113.1	G105 C106 C122 Y128	G105-K124 WeakPolarHBondContact CA-O 3.33Å; C106-K124 HydrophobicContact CB-CB 4.07Å; C106-K124 HydrophobicContact CB-CD 3.7Å; C106-K124 HydrophobicContact CB-CG 4.39Å; C122-K124 VanDerWaalsContact C-N 3.28Å; C122-K124 PolarHBondContact O-N 2.91Å; K124-Y128 WeakPolarHBondContact O-CB 3.48Å; K124-Y128 PolarHBondContact O-N 2.87Å; K124-Y128 VanDerWaalsContact O-N 3.11Å
125	Y	93.4	Very high	91.2	Very high	57 Å²	57	71.7 Å²	71.7	22%	0.224	40%	0.398	C	S	.	.	H	α-helix	trans	-73.8	-37.4	175.1	-171.5	-104	0	0	0	111.2	K104 T119 C122 S123 Y128 I129	K104-Y125 HydrophobicContact CB-CD2 4.45Å; K104-Y125 HydrophobicContact CB-CE2 4.2Å; T119-Y125 VanDerWaalsContact CB-CD1 3.43Å; T119-Y125 VanDerWaalsContact CB-CE1 3.48Å; T119-Y125 HydrophobicContact CG2-CD1 3.61Å; T119-Y125 HydrophobicContact CG2-CD2 3.97Å; T119-Y125 HydrophobicContact CG2-CE1 3.5Å; T119-Y125 HydrophobicContact CG2-CE2 3.9Å; T119-Y125 HydrophobicContact CG2-CG 3.83Å; C122-Y125 WeakPolarHBondContact O-CB 3.31Å; C122-Y125 PolarHBondContact O-N 3.31Å; S123-Y125 VanDerWaalsContact C-N 3.26Å; S123-Y125 PolarHBondContact O-N 3.28Å; Y125-Y128 HydrophobicContact CD2-CD1 4.25Å; Y125-Y128 HydrophobicContact CE2-CD1 4.13Å; Y125-Y128 HydrophobicContact CE2-CE1 4.42Å; Y125-Y128 WeakPolarHBondContact O-CB 3.29Å; Y125-Y128 PolarHBondContact O-N 3.24Å; Y125-I129 HydrophobicContact CD1-CD1 3.78Å; Y125-I129 HydrophobicContact CD1-CG1 4.34Å; Y125-I129 HydrophobicContact CE1-CD1 3.54Å; Y125-I129 HydrophobicContact CE1-CG1 4.1Å; Y125-I129 WeakPolarHBondContact O-CG1 3.46Å; Y125-I129 PolarHBondContact O-N 2.97Å
126	Q	92.5	Very high	90.2	Very high	101 Å²	101	75.4 Å²	75.4	47%	0.472	42%	0.422	S	S	.	.	H	α-helix	trans	-61.1	-46.2	172.6	-173.1	65.3	8.8	0	0	111.6	C122 S123 Y128 I129 E130	C122-Q126 PolarHBondContact O-N 3.35Å; S123-Q126 WeakPolarHBondContact O-CB 3.37Å; S123-Q126 PolarHBondContact O-N 3.23Å; Q126-Y128 VanDerWaalsContact C-N 3.3Å; Q126-Y128 PolarHBondContact O-N 3.37Å; Q126-I129 PolarHBondContact O-N 2.93Å; Q126-E130 WeakPolarHBondContact O-CG 3.37Å; Q126-E130 PolarHBondContact O-N 3.22Å
127	E	92.3	Very high	88.9	Confident	115 Å²	115	75.6 Å²	75.6	54%	0.537	44%	0.436	S	S	.	.	H	α-helix	trans	-59.2	-40.9	175	-70.1	167.9	-162.6	0	0	112.2	S123 E130 E131	S123-E127 PolarHBondContact O-N 3.2Å; E127-E130 PolarHBondContact O-N 2.76Å; E127-E131 PolarHBondContact O-N 3.49Å
128	Y	91.3	Very high	87.4	Confident	117 Å²	117	80.3 Å²	80.3	46%	0.459	44%	0.443	S	S	.	.	H	α-helix	trans	-60.3	-44.4	174.8	165.8	-94.6	0	0	0	112.2	K104 K124 Y125 Q126 E131 G132	K104-Y128 HydrophobicContact CB-CD1 4.12Å; K104-Y128 HydrophobicContact CB-CD2 4.38Å; K104-Y128 HydrophobicContact CB-CE1 3.85Å; K104-Y128 HydrophobicContact CB-CE2 4.11Å; K104-Y128 HydrophobicContact CB-CG 4.38Å; K104-Y128 HydrophobicContact CG-CE1 4.49Å; K124-Y128 WeakPolarHBondContact O-CB 3.48Å; K124-Y128 PolarHBondContact O-N 2.87Å; K124-Y128 VanDerWaalsContact O-N 3.11Å; Y125-Y128 HydrophobicContact CD2-CD1 4.25Å; Y125-Y128 HydrophobicContact CE2-CD1 4.13Å; Y125-Y128 HydrophobicContact CE2-CE1 4.42Å; Y125-Y128 WeakPolarHBondContact O-CB 3.29Å; Y125-Y128 PolarHBondContact O-N 3.24Å; Q126-Y128 VanDerWaalsContact C-N 3.3Å; Q126-Y128 PolarHBondContact O-N 3.37Å; Y128-E131 PolarHBondContact O-N 2.94Å; Y128-G132 PolarHBondContact O-N 2.85Å; Y128-G132 VanDerWaalsContact O-N 3.07Å
129	I	91	Very high	85.4	Confident	68 Å²	68	83.5 Å²	83.5	35%	0.349	47%	0.466	S	S	.	.	H	α-helix	trans	-60.8	-48.6	175.6	-67.4	168.3	0	0	0	110.1	Y125 Q126 E131 G132 V133	Y125-I129 HydrophobicContact CD1-CD1 3.78Å; Y125-I129 HydrophobicContact CD1-CG1 4.34Å; Y125-I129 HydrophobicContact CE1-CD1 3.54Å; Y125-I129 HydrophobicContact CE1-CG1 4.1Å; Y125-I129 WeakPolarHBondContact O-CG1 3.46Å; Y125-I129 PolarHBondContact O-N 2.97Å; Q126-I129 PolarHBondContact O-N 2.93Å; I129-E131 VanDerWaalsContact C-N 3.29Å; I129-E131 PolarHBondContact O-N 3.4Å; I129-G132 WeakPolarHBondContact O-CA 3.38Å; I129-G132 PolarHBondContact O-N 2.91Å; I129-G132 VanDerWaalsContact O-N 3.1Å; I129-V133 HydrophobicContact CG2-CG2 4.48Å; I129-V133 WeakPolarHBondContact O-CG2 3.13Å; I129-V133 PolarHBondContact O-N 3.23Å
130	E	89.4	Confident	83.2	Confident	87 Å²	87	89.8 Å²	89.8	41%	0.407	49%	0.494	S	S	.	.	H	α-helix	trans	-60.3	-39.3	-178.9	-70.1	177.4	-170.2	0	0	112.4	Q126 E127 V133 R134	Q126-E130 WeakPolarHBondContact O-CG 3.37Å; Q126-E130 PolarHBondContact O-N 3.22Å; E127-E130 PolarHBondContact O-N 2.76Å; E130-V133 PolarHBondContact O-N 3.34Å; E130-R134 WeakPolarHBondContact O-CG 3.5Å; E130-R134 PolarHBondContact O-N 3.37Å; E130-R134 IonicContact OE2-NH1 3.02Å
131	E	89	Confident	81.3	Confident	89 Å²	89	89.7 Å²	89.7	42%	0.416	49%	0.486	S	S	.	.	H	α-helix	trans	-65	-39.9	175	-170.6	57.3	-145.7	0	0	111.9	E127 Y128 I129 V133 R134 T135	E127-E131 PolarHBondContact O-N 3.49Å; Y128-E131 PolarHBondContact O-N 2.94Å; I129-E131 VanDerWaalsContact C-N 3.29Å; I129-E131 PolarHBondContact O-N 3.4Å; E131-V133 VanDerWaalsContact C-N 3.3Å; E131-V133 PolarHBondContact O-N 2.96Å; E131-R134 PolarHBondContact O-N 3.33Å; E131-R134 IonicContact OE2-CZ 3.03Å; E131-R134 IonicContact OE2-NE 2.69Å; E131-R134 PolarHBondContact OE2-NE 2.84Å; E131-R134 IonicContact OE2-NH2 3.26Å; E131-R134 PolarHBondContact OE2-NH2 2.88Å; E131-T135 WeakPolarHBondContact O-CG2 3.34Å; E131-T135 PolarHBondContact O-N 3.26Å; E131-T135 PolarHBondContact O-OG1 3.3Å
132	G	84.4	Confident	79.2	Confident	35 Å²	35	92.3 Å²	92.3	36%	0.361	49%	0.488	S	S	.	.	H	α-helix	trans	-60.1	-38.1	172.1	0	0	0	0	0	113.1	Y128 I129 T135 T136	Y128-G132 PolarHBondContact O-N 2.85Å; Y128-G132 VanDerWaalsContact O-N 3.07Å; I129-G132 WeakPolarHBondContact O-CA 3.38Å; I129-G132 PolarHBondContact O-N 2.91Å; I129-G132 VanDerWaalsContact O-N 3.1Å; G132-T135 WeakPolarHBondContact CA-OG1 3.48Å; G132-T135 PolarHBondContact O-OG1 2.72Å; G132-T136 WeakPolarHBondContact O-CG2 3.32Å; G132-T136 PolarHBondContact O-N 2.57Å; G132-T136 PolarHBondContact O-OG1 2.91Å
133	V	84.6	Confident	77.3	Confident	89 Å²	89	97.9 Å²	97.9	54%	0.539	52%	0.515	S	S	.	.	H	α-helix	trans	-70.2	-42.5	175.1	177.7	0	0	0	0	111.2	I129 E130 E131 T135 T136 A137	I129-V133 HydrophobicContact CG2-CG2 4.48Å; I129-V133 WeakPolarHBondContact O-CG2 3.13Å; I129-V133 PolarHBondContact O-N 3.23Å; E130-V133 PolarHBondContact O-N 3.34Å; E131-V133 VanDerWaalsContact C-N 3.3Å; E131-V133 PolarHBondContact O-N 2.96Å; V133-T135 PolarHBondContact O-N 3.32Å; V133-T136 WeakPolarHBondContact CA-OG1 3.38Å; V133-T136 PolarHBondContact O-N 3.15Å; V133-T136 PolarHBondContact O-OG1 2.94Å; V133-A137 VanDerWaalsContact O-CB 3.32Å; V133-A137 WeakPolarHBondContact O-CB 3.27Å; V133-A137 PolarHBondContact O-N 2.97Å
134	R	82.3	Confident	75.2	Confident	106 Å²	106	101 Å²	101	40%	0.4	52%	0.524	S	S	.	.	H	α-helix	trans	-60.9	-46.2	178.2	-76.6	-172.3	-70.1	-94.2	3.2	112.1	E130 E131 A137 Q138	E130-R134 WeakPolarHBondContact O-CG 3.5Å; E130-R134 PolarHBondContact O-N 3.37Å; E130-R134 IonicContact OE2-NH1 3.02Å; E131-R134 PolarHBondContact O-N 3.33Å; E131-R134 IonicContact OE2-CZ 3.03Å; E131-R134 IonicContact OE2-NE 2.69Å; E131-R134 PolarHBondContact OE2-NE 2.84Å; E131-R134 IonicContact OE2-NH2 3.26Å; E131-R134 PolarHBondContact OE2-NH2 2.88Å; R134-A137 PolarHBondContact O-N 3.27Å; R134-Q138 VanDerWaalsContact O-CG 3.28Å; R134-Q138 WeakPolarHBondContact O-CG 3.22Å; R134-Q138 PolarHBondContact O-N 3.41Å
135	T	75.2	Confident	73.3	Confident	62 Å²	62	96.6 Å²	96.6	38%	0.38	51%	0.51	S	S	.	.	H	α-helix	trans	-63.6	-42.4	179.4	49.3	0	0	0	0	111.7	E131 G132 V133 Q138 T139	E131-T135 WeakPolarHBondContact O-CG2 3.34Å; E131-T135 PolarHBondContact O-N 3.26Å; E131-T135 PolarHBondContact O-OG1 3.3Å; G132-T135 WeakPolarHBondContact CA-OG1 3.48Å; G132-T135 PolarHBondContact O-OG1 2.72Å; V133-T135 PolarHBondContact O-N 3.32Å; T135-Q138 PolarHBondContact O-N 2.9Å; T135-T139 PolarHBondContact O-N 2.97Å; T135-T139 PolarHBondContact O-OG1 3.1Å
136	T	72.1	Confident	71.7	Confident	92 Å²	92	100.3 Å²	100.3	56%	0.564	54%	0.541	S	S	*	.	H	α-helix	trans	-68.8	-35.4	176.5	51.3	0	0	0	0	113.4	G132 V133 T139 Q140	G132-T136 WeakPolarHBondContact O-CG2 3.32Å; G132-T136 PolarHBondContact O-N 2.57Å; G132-T136 PolarHBondContact O-OG1 2.91Å; V133-T136 WeakPolarHBondContact CA-OG1 3.38Å; V133-T136 PolarHBondContact O-N 3.15Å; V133-T136 PolarHBondContact O-OG1 2.94Å; T136-T139 PolarHBondContact O-N 3.26Å; T136-Q140 PolarHBondContact O-N 3.07Å
137	A	68.4	Low	69.9	Low	59 Å²	59	103.3 Å²	103.3	49%	0.488	56%	0.557	S	S	.	*	H	α-helix	trans	-68.9	-31.8	175.7	0	0	0	0	0	113.3	V133 R134	V133-A137 VanDerWaalsContact O-CB 3.32Å; V133-A137 WeakPolarHBondContact O-CB 3.27Å; V133-A137 PolarHBondContact O-N 2.97Å; R134-A137 PolarHBondContact O-N 3.27Å
138	Q	62.3	Low	68.6	Low	152 Å²	152	101.5 Å²	101.5	71%	0.71	56%	0.555	S	S	*	*	H	α-helix	trans	-72.8	-30.8	176.8	-73.4	170.9	13.6	0	0	112.7	R134 T135	R134-Q138 VanDerWaalsContact O-CG 3.28Å; R134-Q138 WeakPolarHBondContact O-CG 3.22Å; R134-Q138 PolarHBondContact O-N 3.41Å; T135-Q138 PolarHBondContact O-N 2.9Å
139	T	53.8	Low	67.5	Low	115 Å²	115	100.2 Å²	100.2	71%	0.706	56%	0.556	S	S	*	*	H	α-helix	trans	-86.5	-14.6	178.3	-23.2	0	0	0	0	113.1	T135 T136 P141	T135-T139 PolarHBondContact O-N 2.97Å; T135-T139 PolarHBondContact O-OG1 3.1Å; T136-T139 PolarHBondContact O-N 3.26Å; T139-P141 WeakPolarHBondContact O-CD 3.39Å
140	Q	49.3	Very low	66.7	Low	149 Å²	149	105 Å²	105	70%	0.696	57%	0.57	S	S	*	*	S	Bend	trans	-72.2	106.5	159.8	-101.8	179.5	0.8	0	0	106.8	T136 N142	T136-Q140 PolarHBondContact O-N 3.07Å; Q140-N142 PolarHBondContact O-N 2.67Å; Q140-N142 VanDerWaalsContact O-N 3.11Å
141	P	53	Low	66.4	Low	91 Å²	91	107.1 Å²	107.1	59%	0.591	58%	0.578	S	S	*	*			trans	-55.9	130.7	166.2	28	-33.9	0	0	0	105.5	T139 I143	T139-P141 WeakPolarHBondContact O-CD 3.39Å; P141-I143 HydrophobicContact CB-CD1 4.09Å; P141-I143 HydrophobicContact CB-CG1 3.74Å; P141-I143 HydrophobicContact CG-CD1 3.65Å; P141-I143 HydrophobicContact CG-CG1 3.77Å; P141-I143 PolarHBondContact O-N 2.97Å
142	N	52.4	Low	66.4	Low	144 Å²	144	105.4 Å²	105.4	77%	0.77	57%	0.574	S	S	*	*			trans	-68.1	66.1	172.3	-153.3	-24.1	0	0	0	107.2	Q140 I144	Q140-N142 PolarHBondContact O-N 2.67Å; Q140-N142 VanDerWaalsContact O-N 3.11Å; N142-I144 PolarHBondContact O-N 2.89Å; N142-I144 WeakPolarHBondContact OD1-CD1 3.39Å; N142-I144 WeakPolarHBondContact OD1-CG1 3.42Å
143	I	55.8	Low	66.8	Low	132 Å²	132	104.4 Å²	104.4	68%	0.677	56%	0.559	S	S	*	*			trans	-80.5	69.7	168.8	-52.5	178.5	0	0	0	104	P141 G145	P141-I143 HydrophobicContact CB-CD1 4.09Å; P141-I143 HydrophobicContact CB-CG1 3.74Å; P141-I143 HydrophobicContact CG-CD1 3.65Å; P141-I143 HydrophobicContact CG-CG1 3.77Å; P141-I143 PolarHBondContact O-N 2.97Å; I143-G145 VanDerWaalsContact CG2-N 3.34Å; I143-G145 PolarHBondContact O-N 3.31Å
144	I	52.3	Low	67.2	Low	149 Å²	149	102.3 Å²	102.3	76%	0.764	55%	0.549	S	S	*	.			trans	-68.5	69.5	135.4	-53.3	163.5	0	0	0	104.2	N142	N142-I144 PolarHBondContact O-N 2.89Å; N142-I144 WeakPolarHBondContact OD1-CD1 3.39Å; N142-I144 WeakPolarHBondContact OD1-CG1 3.42Å
145	G	54.3	Low	67.7	Low	19 Å²	19	97.3 Å²	97.3	20%	0.196	53%	0.53	C	S	.	.			trans	-60.8	162.5	157.5	0	0	0	0	0	106.6	I143 M147	I143-G145 VanDerWaalsContact CG2-N 3.34Å; I143-G145 PolarHBondContact O-N 3.31Å; G145-M147 PolarHBondContact O-N 3.04Å
146	P	59.5	Low	68.4	Low	136 Å²	136	96.5 Å²	96.5	88%	0.883	53%	0.526	S	S	*	.	S	Bend	trans	-69.7	37.5	170.8	33.4	-36.1	0	0	0	110.7	P148	P146-P148 WeakPolarHBondContact O-CD 3.39Å; P146-P148 VanDerWaalsContact O-N 3.15Å
147	M	55.8	Low	69.3	Low	163 Å²	163	93.1 Å²	93.1	80%	0.803	50%	0.503	S	S	*	.			trans	-66.3	112.8	172.3	-77.8	-140.5	137.9	0	0	106.8	G145 N149	G145-M147 PolarHBondContact O-N 3.04Å; M147-N149 PolarHBondContact O-N 3.45Å
148	P	63.4	Low	70.5	Confident	78 Å²	78	93.4 Å²	93.4	51%	0.506	50%	0.501	S	S	.	.			trans	-60.3	136.9	177.1	25.4	-31.8	0	0	0	108.5	P146 R150	P146-P148 WeakPolarHBondContact O-CD 3.39Å; P146-P148 VanDerWaalsContact O-N 3.15Å; P148-R150 PolarHBondContact O-N 3.35Å; P148-R150 VanDerWaalsContact O-N 3.09Å
149	N	69.3	Low	71.9	Confident	89 Å²	89	91.1 Å²	91.1	48%	0.476	49%	0.493	S	S	.	.			trans	-59.3	116.6	173.9	-177.2	-2.5	0	0	0	108.9	M147 F151 T152 S190	M147-N149 PolarHBondContact O-N 3.45Å; N149-F151 PolarHBondContact OD1-N 2.99Å; N149-F151 VanDerWaalsContact OD1-N 3.14Å; N149-T152 PolarHBondContact ND2-O 3.13Å; N149-T152 PolarHBondContact ND2-OG1 2.86Å; N149-T152 PolarHBondContact OD1-N 3.18Å; N149-T152 VanDerWaalsContact OD1-N 3.09Å; N149-T152 PolarHBondContact OD1-O 3.42Å; N149-S190 WeakPolarHBondContact O-CB 3.47Å
150	R	74.9	Confident	73.8	Confident	168 Å²	168	92.3 Å²	92.3	63%	0.634	49%	0.486	S	S	*	.			trans	-112.7	3.2	-176.4	68.6	179.2	179.1	173.3	-0.2	113.8	P148	P148-R150 PolarHBondContact O-N 3.35Å; P148-R150 VanDerWaalsContact O-N 3.09Å
151	F	82.3	Confident	75.9	Confident	133 Å²	133	90.5 Å²	90.5	58%	0.583	48%	0.478	S	S	*	.	S	Bend	trans	-123.9	-35.4	-168.5	-62.6	-65.5	0	0	0	113.2	N149	N149-F151 PolarHBondContact OD1-N 2.99Å; N149-F151 VanDerWaalsContact OD1-N 3.14Å
152	T	89.7	Confident	77.6	Confident	52 Å²	52	91.9 Å²	91.9	32%	0.319	48%	0.48	S	S	.	.			trans	-125.1	141.9	179.6	61.8	0	0	0	0	110.5	N149 L163	N149-T152 PolarHBondContact ND2-O 3.13Å; N149-T152 PolarHBondContact ND2-OG1 2.86Å; N149-T152 PolarHBondContact OD1-N 3.18Å; N149-T152 VanDerWaalsContact OD1-N 3.09Å; N149-T152 PolarHBondContact OD1-O 3.42Å; T152-L163 CarbonylContact C-O 3.47Å; T152-L163 VanDerWaalsContact CA-O 3.31Å; T152-L163 WeakPolarHBondContact CA-O 3.39Å
153	F	91.1	Very high	79.4	Confident	14 Å²	14	85.9 Å²	85.9	6%	0.061	45%	0.448	C	S	.	.	B	Isolated β-bridge	trans	-133.6	153.3	-171.3	-54.7	-72.4	0	0	0	109.8	N162 L163 L168 P186 I187	F153-N162 PolarHBondContact O-N 3.11Å; F153-L163 PolarHBondContact N-O 2.88Å; F153-L163 WeakPolarHBondContact O-CB 3.24Å; F153-L163 PolarHBondContact O-N 3.39Å; F153-L168 HydrophobicContact CB-CD2 4.01Å; F153-P186 HydrophobicContact CB-CB 4.17Å; F153-P186 HydrophobicContact CB-CG 4.03Å; F153-P186 HydrophobicContact CD1-CB 4.09Å; F153-P186 HydrophobicContact CG-CB 4.49Å; F153-I187 HydrophobicContact CD1-CG1 4.22Å; F153-I187 HydrophobicContact CD2-CG1 3.81Å; F153-I187 HydrophobicContact CE1-CB 4.35Å; F153-I187 HydrophobicContact CE1-CG1 4.21Å; F153-I187 HydrophobicContact CE2-CB 4.48Å; F153-I187 HydrophobicContact CE2-CD1 4.49Å; F153-I187 HydrophobicContact CE2-CG1 3.79Å; F153-I187 HydrophobicContact CE2-CG2 4.38Å; F153-I187 HydrophobicContact CG-CG1 4.02Å; F153-I187 HydrophobicContact CZ-CB 4.22Å; F153-I187 HydrophobicContact CZ-CG1 3.99Å; F153-I187 HydrophobicContact CZ-CG2 4.03Å
154	S	93.1	Very high	81	Confident	45 Å²	45	83.8 Å²	83.8	32%	0.315	44%	0.438	S	S	.	.			trans	-99.2	138	171.4	-59.3	0	0	0	0	109.6	P156 Y160	S154-P156 WeakPolarHBondContact O-CD 3.4Å; S154-Y160 CarbonylContact C-O 3.51Å; S154-Y160 VanDerWaalsContact CA-O 3.27Å; S154-Y160 WeakPolarHBondContact CA-O 3.32Å
155	C	92.6	Very high	82.6	Confident	1 Å²	1	80 Å²	80	1%	0.007	42%	0.417	C	S	.	.			trans	-62.1	123.6	174.4	176	0	0	0	0	110	Y157 C158 N159 Y160 L163 L168 H171	C155-Y157 PolarHBondContact O-N 3.5Å; C155-C158 PolarHBondContact SG-SG 3.16Å; C155-N159 WeakPolarHBondContact O-CA 3.49Å; C155-N159 PolarHBondContact O-N 3.33Å; C155-Y160 PolarHBondContact N-O 2.85Å; C155-L163 HydrophobicContact CB-CD1 4.06Å; C155-L168 HydrophobicContact CB-CD1 4.19Å; C155-H171 VanDerWaalsContact SG-CD2 3.53Å; C155-H171 PolarHBondContact SG-NE2 3Å; C155-H171 VanDerWaalsContact SG-NE2 3.42Å
156	P	91.6	Very high	84.2	Confident	46 Å²	46	83.5 Å²	83.5	30%	0.299	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-10.2	-176.3	30.4	-37.1	0	0	0	114	S154 V183 F203	S154-P156 WeakPolarHBondContact O-CD 3.4Å; P156-V183 HydrophobicContact CB-CB 3.77Å; P156-V183 HydrophobicContact CB-CG1 4.04Å; P156-V183 HydrophobicContact CB-CG2 4.12Å; P156-V183 HydrophobicContact CG-CB 3.94Å; P156-V183 HydrophobicContact CG-CG1 4.38Å; P156-V183 HydrophobicContact CG-CG2 3.69Å; P156-F203 HydrophobicContact CG-CD1 4.48Å; P156-F203 HydrophobicContact CG-CE1 3.73Å; P156-F203 HydrophobicContact CG-CE2 4.46Å; P156-F203 HydrophobicContact CG-CZ 3.7Å
157	Y	91.1	Very high	85.6	Confident	21 Å²	21	77.7 Å²	77.7	8%	0.082	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-36.3	179.5	-65.9	-66	0	0	0	114.1	C155 H176 D179 R181 V183 F203	C155-Y157 PolarHBondContact O-N 3.5Å; Y157-H176 HydrophobicContact CD2-CB 3.72Å; Y157-H176 AromaticContact CD2-CD2 3.92Å; Y157-H176 AromaticContact CD2-CG 3.72Å; Y157-H176 HydrophobicContact CE2-CB 4.07Å; Y157-H176 HydrophobicContact CG-CB 4.27Å; Y157-H176 AromaticContact CG-CG 3.96Å; Y157-D179 HydrophobicContact CD1-CB 4.16Å; Y157-D179 VanDerWaalsContact CD1-CG 3.49Å; Y157-D179 VanDerWaalsContact CD1-OD2 3.29Å; Y157-D179 WeakPolarHBondContact CD1-OD2 3.28Å; Y157-D179 HydrophobicContact CE1-CB 3.98Å; Y157-R181 HydrophobicContact CD1-CB 4.42Å; Y157-R181 HydrophobicContact CE1-CB 4.04Å; Y157-R181 WeakPolarHBondContact CE1-O 3.29Å; Y157-R181 PolarHBondContact O-NH2 2.89Å; Y157-R181 PolarHBondContact OH-O 2.8Å; Y157-V183 HydrophobicContact CD1-CG1 3.84Å; Y157-V183 HydrophobicContact CE1-CB 4.47Å; Y157-V183 HydrophobicContact CE1-CG1 3.6Å; Y157-V183 HydrophobicContact CE1-CG2 4Å; Y157-V183 HydrophobicContact CE2-CG2 4.2Å; Y157-F203 HydrophobicContact CD2-CD1 4.46Å; Y157-F203 HydrophobicContact CD2-CE1 4.37Å; Y157-F203 AromaticContact CE2-CD1 3.41Å; Y157-F203 HydrophobicContact CE2-CD1 3.41Å; Y157-F203 VanDerWaalsContact CE2-CD1 3.41Å; Y157-F203 AromaticContact CE2-CE1 3.69Å; Y157-F203 HydrophobicContact CE2-CE1 3.69Å; Y157-F203 AromaticContact CZ-CD1 3.73Å; Y157-F203 WeakPolarHBondContact OH-CD1 3.49Å
158	C	93.6	Very high	87.2	Confident	64 Å²	64	69.9 Å²	69.9	43%	0.432	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-2.5	-172.4	69.1	0	0	0	0	113.9	C155 Y160 H171 H176	C155-C158 PolarHBondContact SG-SG 3.16Å; C158-Y160 PolarHBondContact O-N 3Å; C158-H171 PolarHBondContact SG-NE2 3.45Å; C158-H176 PolarHBondContact SG-NE2 3.07Å; C158-H176 VanDerWaalsContact SG-NE2 3.42Å
159	N	91.9	Very high	88.4	Confident	105 Å²	105	66.9 Å²	66.9	56%	0.561	34%	0.337	S	S	*	.			trans	60.3	23.9	-178.7	-160	42.8	0	0	0	114.9	C155 Q161	C155-N159 WeakPolarHBondContact O-CA 3.49Å; C155-N159 PolarHBondContact O-N 3.33Å; N159-Q161 WeakPolarHBondContact O-CG 3.03Å; N159-Q161 PolarHBondContact O-N 3.43Å
160	Y	92.8	Very high	89.4	Confident	140 Å²	140	69.3 Å²	69.3	55%	0.549	35%	0.346	S	S	.	.			trans	-62.9	124.1	169.7	-169.5	-91.8	0	0	0	109.6	S154 C155 C158 L163	S154-Y160 CarbonylContact C-O 3.51Å; S154-Y160 VanDerWaalsContact CA-O 3.27Å; S154-Y160 WeakPolarHBondContact CA-O 3.32Å; C155-Y160 PolarHBondContact N-O 2.85Å; C158-Y160 PolarHBondContact O-N 3Å; Y160-L163 HydrophobicContact CD1-CD1 3.83Å; Y160-L163 HydrophobicContact CD1-CD2 3.62Å; Y160-L163 HydrophobicContact CD1-CG 3.7Å; Y160-L163 HydrophobicContact CE1-CD2 3.62Å; Y160-L163 HydrophobicContact CE1-CG 4.13Å
161	Q	92.6	Very high	90.2	Very high	111 Å²	111	62.9 Å²	62.9	52%	0.519	32%	0.323	S	S	.	.			trans	-97.4	168.5	-167.2	-57.5	-175.9	4.9	0	0	112.6	N159 L163	N159-Q161 WeakPolarHBondContact O-CG 3.03Å; N159-Q161 PolarHBondContact O-N 3.43Å; Q161-L163 VanDerWaalsContact C-N 3.27Å; Q161-L163 PolarHBondContact O-N 3.15Å
162	N	90.1	Very high	90.6	Very high	120 Å²	120	56.6 Å²	56.6	64%	0.642	30%	0.296	S	S	*	.			trans	61.8	29.9	171	-54	-58.1	0	0	0	114.6	F153	F153-N162 PolarHBondContact O-N 3.11Å
163	L	90	Very high	90.4	Very high	17 Å²	17	56.5 Å²	56.5	9%	0.089	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-81.4	128.5	172	-63.7	167.7	0	0	0	108.7	T152 F153 C155 Y160 Q161 L168 H171	T152-L163 CarbonylContact C-O 3.47Å; T152-L163 VanDerWaalsContact CA-O 3.31Å; T152-L163 WeakPolarHBondContact CA-O 3.39Å; F153-L163 PolarHBondContact N-O 2.88Å; F153-L163 WeakPolarHBondContact O-CB 3.24Å; F153-L163 PolarHBondContact O-N 3.39Å; C155-L163 HydrophobicContact CB-CD1 4.06Å; Y160-L163 HydrophobicContact CD1-CD1 3.83Å; Y160-L163 HydrophobicContact CD1-CD2 3.62Å; Y160-L163 HydrophobicContact CD1-CG 3.7Å; Y160-L163 HydrophobicContact CE1-CD2 3.62Å; Y160-L163 HydrophobicContact CE1-CG 4.13Å; Q161-L163 VanDerWaalsContact C-N 3.27Å; Q161-L163 PolarHBondContact O-N 3.15Å; L163-L168 HydrophobicContact CB-CB 4.06Å; L163-L168 HydrophobicContact CD1-CB 4.45Å; L163-L168 HydrophobicContact CD1-CD1 3.68Å; L163-H171 HydrophobicContact CD1-CB 4.03Å; L163-H171 HydrophobicContact CD2-CB 4.28Å
164	D	88.5	Confident	90.3	Very high	89 Å²	89	59.5 Å²	59.5	48%	0.476	32%	0.318	S	S	.	.			trans	-69.3	178.2	162.2	58.9	4.9	0	0	0	110.3	D166 G167 L168	D164-D166 PolarHBondContact O-N 3.4Å; D164-G167 PolarHBondContact O-N 2.87Å; D164-G167 VanDerWaalsContact OD1-CA 3.24Å; D164-G167 WeakPolarHBondContact OD1-CA 3.39Å; D164-G167 PolarHBondContact OD1-N 3.08Å; D164-L168 WeakPolarHBondContact O-CB 3.44Å; D164-L168 PolarHBondContact O-N 2.63Å
165	Q	87.3	Confident	90.1	Very high	70 Å²	70	63.7 Å²	63.7	33%	0.327	33%	0.332	S	S	.	.	H	α-helix	trans	-57.1	-47.8	-178.4	171.8	174	-31.3	0	0	112.1	L168 V169 I187 H211	Q165-L168 PolarHBondContact O-N 3.22Å; Q165-V169 WeakPolarHBondContact O-CG2 3.46Å; Q165-V169 PolarHBondContact O-N 3.14Å; Q165-V169 VanDerWaalsContact O-N 3.13Å; Q165-I187 HydrophobicContact CB-CD1 4.36Å; Q165-I187 HydrophobicContact CG-CD1 3.95Å; Q165-H211 HydrophobicContact CG-CB 4.26Å; Q165-H211 PolarHBondContact NE2-O 3.11Å
166	D	87.3	Confident	90	Very high	91 Å²	91	65.1 Å²	65.1	49%	0.487	34%	0.339	S	S	.	.	H	α-helix	trans	-69.4	-43	-178.3	-68	-34.7	0	0	0	111.6	D164 L168 V169 E170	D164-D166 PolarHBondContact O-N 3.4Å; D166-L168 VanDerWaalsContact C-N 3.27Å; D166-L168 PolarHBondContact O-N 3.45Å; D166-V169 WeakPolarHBondContact O-CB 3.5Å; D166-V169 PolarHBondContact O-N 2.7Å; D166-V169 VanDerWaalsContact O-N 3.16Å; D166-E170 PolarHBondContact O-N 2.6Å
167	G	88.5	Confident	89.5	Confident	14 Å²	14	65.7 Å²	65.7	14%	0.144	35%	0.348	C	S	.	.	H	α-helix	trans	-61.4	-34.8	174.3	0	0	0	0	0	112.5	D164 H171	D164-G167 PolarHBondContact O-N 2.87Å; D164-G167 VanDerWaalsContact OD1-CA 3.24Å; D164-G167 WeakPolarHBondContact OD1-CA 3.39Å; D164-G167 PolarHBondContact OD1-N 3.08Å; G167-H171 WeakPolarHBondContact O-CB 3.47Å; G167-H171 PolarHBondContact O-N 3.28Å
168	L	90.4	Very high	89.1	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-67	-43.1	174	-175.5	66.5	0	0	0	111.6	F153 C155 L163 D164 Q165 D166 C172 P186 I187 L207	F153-L168 HydrophobicContact CB-CD2 4.01Å; C155-L168 HydrophobicContact CB-CD1 4.19Å; L163-L168 HydrophobicContact CB-CB 4.06Å; L163-L168 HydrophobicContact CD1-CB 4.45Å; L163-L168 HydrophobicContact CD1-CD1 3.68Å; D164-L168 WeakPolarHBondContact O-CB 3.44Å; D164-L168 PolarHBondContact O-N 2.63Å; Q165-L168 PolarHBondContact O-N 3.22Å; D166-L168 VanDerWaalsContact C-N 3.27Å; D166-L168 PolarHBondContact O-N 3.45Å; L168-C172 VanDerWaalsContact O-CB 3.29Å; L168-C172 WeakPolarHBondContact O-CB 3.18Å; L168-C172 PolarHBondContact O-N 3.24Å; L168-C172 PolarHBondContact O-SG 3.22Å; L168-C172 VanDerWaalsContact O-SG 3.33Å; L168-P186 HydrophobicContact CD2-CG 3.64Å; L168-I187 HydrophobicContact CD2-CD1 3.93Å; L168-I187 HydrophobicContact CD2-CG1 3.92Å; L168-L207 HydrophobicContact CD2-CD2 4.46Å
169	V	88.4	Confident	88.6	Confident	14 Å²	14	75.1 Å²	75.1	9%	0.085	38%	0.377	C	S	.	.	H	α-helix	trans	-60.8	-51	175.1	172.2	0	0	0	0	110.3	Q165 D166 T173 L207 H211 T212	Q165-V169 WeakPolarHBondContact O-CG2 3.46Å; Q165-V169 PolarHBondContact O-N 3.14Å; Q165-V169 VanDerWaalsContact O-N 3.13Å; D166-V169 WeakPolarHBondContact O-CB 3.5Å; D166-V169 PolarHBondContact O-N 2.7Å; D166-V169 VanDerWaalsContact O-N 3.16Å; V169-T173 VanDerWaalsContact O-CB 3.23Å; V169-T173 WeakPolarHBondContact O-CB 3.46Å; V169-T173 PolarHBondContact O-N 3.18Å; V169-T173 PolarHBondContact O-OG1 2.83Å; V169-L207 HydrophobicContact CG2-CB 4.39Å; V169-H211 HydrophobicContact CG2-CB 4.29Å; V169-T212 WeakPolarHBondContact CG1-OG1 3.3Å
170	E	90	Very high	88.3	Confident	141 Å²	141	76.1 Å²	76.1	66%	0.659	39%	0.387	S	S	*	.	H	α-helix	trans	-63.3	-46.1	-178.7	-175.2	179.3	-159	0	0	111.8	D166 T173 S174	D166-E170 PolarHBondContact O-N 2.6Å; E170-T173 PolarHBondContact O-N 2.9Å; E170-S174 WeakPolarHBondContact O-CB 3.41Å; E170-S174 PolarHBondContact O-N 3.36Å; E170-S174 PolarHBondContact O-OG 3.48Å
171	H	92	Very high	88.1	Confident	32 Å²	32	75.7 Å²	75.7	15%	0.148	39%	0.385	C	S	.	.	H	α-helix	trans	-60.3	-50.9	177.9	174	87.9	0	0	0	111.5	C155 C158 L163 G167 T173 S174 Q175 H176	C155-H171 VanDerWaalsContact SG-CD2 3.53Å; C155-H171 PolarHBondContact SG-NE2 3Å; C155-H171 VanDerWaalsContact SG-NE2 3.42Å; C158-H171 PolarHBondContact SG-NE2 3.45Å; L163-H171 HydrophobicContact CD1-CB 4.03Å; L163-H171 HydrophobicContact CD2-CB 4.28Å; G167-H171 WeakPolarHBondContact O-CB 3.47Å; G167-H171 PolarHBondContact O-N 3.28Å; H171-T173 VanDerWaalsContact C-N 3.26Å; H171-T173 PolarHBondContact O-N 3.28Å; H171-S174 PolarHBondContact O-N 3.33Å; H171-S174 PolarHBondContact O-OG 3.02Å; H171-Q175 WeakPolarHBondContact O-CB 3.44Å; H171-Q175 PolarHBondContact O-N 3.28Å; H171-H176 AromaticContact NE2-CD2 3.72Å; H171-H176 AromaticContact NE2-NE2 3.52Å
172	C	89.4	Confident	88	Confident	2 Å²	2	75.2 Å²	75.2	1%	0.014	38%	0.382	C	S	.	.	H	α-helix	trans	-65.3	-32.8	178.6	-69.7	0	0	0	0	111.8	L168 H176 A177 F203 L207	L168-C172 VanDerWaalsContact O-CB 3.29Å; L168-C172 WeakPolarHBondContact O-CB 3.18Å; L168-C172 PolarHBondContact O-N 3.24Å; L168-C172 PolarHBondContact O-SG 3.22Å; L168-C172 VanDerWaalsContact O-SG 3.33Å; C172-H176 CarbonylContact O-C 3.32Å; C172-H176 VanDerWaalsContact O-C 3.32Å; C172-H176 WeakPolarHBondContact O-CA 3.43Å; C172-H176 WeakPolarHBondContact O-CB 3.28Å; C172-H176 PolarHBondContact O-N 3.05Å; C172-H176 VanDerWaalsContact O-N 3.08Å; C172-A177 PolarHBondContact O-N 3.17Å; C172-F203 HydrophobicContact CB-CE1 4.48Å; C172-L207 HydrophobicContact CB-CD1 3.88Å
173	T	85.9	Confident	88.1	Confident	50 Å²	50	70 Å²	70	31%	0.307	36%	0.355	S	S	.	.	H	α-helix	trans	-69	-39.5	176.2	-57	0	0	0	0	113.2	V169 E170 H171 A177 F204	V169-T173 VanDerWaalsContact O-CB 3.23Å; V169-T173 WeakPolarHBondContact O-CB 3.46Å; V169-T173 PolarHBondContact O-N 3.18Å; V169-T173 PolarHBondContact O-OG1 2.83Å; E170-T173 PolarHBondContact O-N 2.9Å; H171-T173 VanDerWaalsContact C-N 3.26Å; H171-T173 PolarHBondContact O-N 3.28Å; T173-A177 WeakPolarHBondContact O-CB 3.43Å; T173-F204 HydrophobicContact CG2-CE2 3.81Å; T173-F204 HydrophobicContact CG2-CZ 4Å; T173-F204 WeakPolarHBondContact OG1-CE2 3.28Å
174	S	89	Confident	88.2	Confident	77 Å²	77	71 Å²	71	54%	0.538	36%	0.361	S	S	.	.	H	α-helix	trans	-84.1	-40.2	-176.8	54	0	0	0	0	112.7	E170 H171	E170-S174 WeakPolarHBondContact O-CB 3.41Å; E170-S174 PolarHBondContact O-N 3.36Å; E170-S174 PolarHBondContact O-OG 3.48Å; H171-S174 PolarHBondContact O-N 3.33Å; H171-S174 PolarHBondContact O-OG 3.02Å
175	Q	89.7	Confident	88.4	Confident	132 Å²	132	66.9 Å²	66.9	62%	0.617	34%	0.34	S	S	*	.	H	α-helix	trans	-101.4	-18.7	-170.6	-56	-61.1	-12.8	0	0	114.1	H171	H171-Q175 WeakPolarHBondContact O-CB 3.44Å; H171-Q175 PolarHBondContact O-N 3.28Å
176	H	90.1	Very high	88.5	Confident	32 Å²	32	64.8 Å²	64.8	15%	0.148	33%	0.332	C	S	.	.			trans	-131.4	20.7	-172.1	-60	-61.9	0	0	0	114.2	Y157 C158 H171 C172 R178 D179	Y157-H176 HydrophobicContact CD2-CB 3.72Å; Y157-H176 AromaticContact CD2-CD2 3.92Å; Y157-H176 AromaticContact CD2-CG 3.72Å; Y157-H176 HydrophobicContact CE2-CB 4.07Å; Y157-H176 HydrophobicContact CG-CB 4.27Å; Y157-H176 AromaticContact CG-CG 3.96Å; C158-H176 PolarHBondContact SG-NE2 3.07Å; C158-H176 VanDerWaalsContact SG-NE2 3.42Å; H171-H176 AromaticContact NE2-CD2 3.72Å; H171-H176 AromaticContact NE2-NE2 3.52Å; C172-H176 CarbonylContact O-C 3.32Å; C172-H176 VanDerWaalsContact O-C 3.32Å; C172-H176 WeakPolarHBondContact O-CA 3.43Å; C172-H176 WeakPolarHBondContact O-CB 3.28Å; C172-H176 PolarHBondContact O-N 3.05Å; C172-H176 VanDerWaalsContact O-N 3.08Å; H176-R178 PolarHBondContact O-N 3.45Å; H176-D179 HydrophobicContact CB-CB 4.23Å; H176-D179 PolarHBondContact O-N 2.87Å; H176-D179 VanDerWaalsContact O-N 3.07Å
177	A	80.3	Confident	88.6	Confident	58 Å²	58	60.9 Å²	60.9	48%	0.479	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-21.6	-176.5	0	0	0	0	0	116	C172 T173	C172-A177 PolarHBondContact O-N 3.17Å; T173-A177 WeakPolarHBondContact O-CB 3.43Å
178	R	82.9	Confident	88.6	Confident	239 Å²	239	62.2 Å²	62.2	90%	0.902	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	7.9	-177.5	-62.3	-176.2	178.4	175.7	-0.1	113.3	H176 T180	H176-R178 PolarHBondContact O-N 3.45Å; R178-T180 PolarHBondContact O-N 3.02Å
179	D	84.6	Confident	88.5	Confident	44 Å²	44	63.7 Å²	63.7	24%	0.235	33%	0.33	C	S	.	.			trans	-79.3	118.2	179	-163.6	-33.3	0	0	0	109.9	Y157 H176 R181	Y157-D179 HydrophobicContact CD1-CB 4.16Å; Y157-D179 VanDerWaalsContact CD1-CG 3.49Å; Y157-D179 VanDerWaalsContact CD1-OD2 3.29Å; Y157-D179 WeakPolarHBondContact CD1-OD2 3.28Å; Y157-D179 HydrophobicContact CE1-CB 3.98Å; H176-D179 HydrophobicContact CB-CB 4.23Å; H176-D179 PolarHBondContact O-N 2.87Å; H176-D179 VanDerWaalsContact O-N 3.07Å; D179-R181 VanDerWaalsContact OD1-CB 3.26Å; D179-R181 WeakPolarHBondContact OD1-CB 3.35Å; D179-R181 WeakPolarHBondContact OD1-CG 3.37Å; D179-R181 PolarHBondContact OD1-N 2.83Å; D179-R181 IonicContact OD1-NE 3.56Å; D179-R181 PolarHBondContact OD1-NE 3.06Å; D179-R181 IonicContact OD2-CZ 2.7Å; D179-R181 VanDerWaalsContact OD2-CZ 3.26Å; D179-R181 IonicContact OD2-NE 3.61Å; D179-R181 PolarHBondContact OD2-NE 2.91Å; D179-R181 IonicContact OD2-NH2 2.6Å; D179-R181 PolarHBondContact OD2-NH2 3.37Å
180	T	83.6	Confident	88.5	Confident	125 Å²	125	63.9 Å²	63.9	77%	0.767	33%	0.332	S	S	*	.			trans	-93	3.5	-177	57.2	0	0	0	0	113.1	R178 H182	R178-T180 PolarHBondContact O-N 3.02Å; T180-H182 PolarHBondContact O-CD2 3.06Å; T180-H182 PolarHBondContact O-N 2.97Å
181	R	88.9	Confident	88.1	Confident	131 Å²	131	60.6 Å²	60.6	49%	0.494	32%	0.317	S	S	.	.			trans	-66.7	131.3	-179.3	-67.5	178.9	-66.7	161.6	-1.5	110.5	Y157 D179 V183	Y157-R181 HydrophobicContact CD1-CB 4.42Å; Y157-R181 HydrophobicContact CE1-CB 4.04Å; Y157-R181 WeakPolarHBondContact CE1-O 3.29Å; Y157-R181 PolarHBondContact O-NH2 2.89Å; Y157-R181 PolarHBondContact OH-O 2.8Å; D179-R181 VanDerWaalsContact OD1-CB 3.26Å; D179-R181 WeakPolarHBondContact OD1-CB 3.35Å; D179-R181 WeakPolarHBondContact OD1-CG 3.37Å; D179-R181 PolarHBondContact OD1-N 2.83Å; D179-R181 IonicContact OD1-NE 3.56Å; D179-R181 PolarHBondContact OD1-NE 3.06Å; D179-R181 IonicContact OD2-CZ 2.7Å; D179-R181 VanDerWaalsContact OD2-CZ 3.26Å; D179-R181 IonicContact OD2-NE 3.61Å; D179-R181 PolarHBondContact OD2-NE 2.91Å; D179-R181 IonicContact OD2-NH2 2.6Å; D179-R181 PolarHBondContact OD2-NH2 3.37Å; R181-V183 PolarHBondContact O-N 3.29Å
182	H	90.4	Very high	87.4	Confident	101 Å²	101	64.6 Å²	64.6	47%	0.468	35%	0.346	S	S	.	.			trans	-77.1	114.2	174.6	-58.9	179.4	0	0	0	110	T180 R199	T180-H182 PolarHBondContact O-CD2 3.06Å; T180-H182 PolarHBondContact O-N 2.97Å; H182-R199 HydrophobicContact CB-CB 4.05Å; H182-R199 PolarHBondContact O-NH1 2.79Å
183	V	93	Very high	87	Confident	12 Å²	12	74 Å²	74	7%	0.073	38%	0.382	C	S	.	.			trans	-118.8	157.4	-177	-66.6	0	0	0	0	111.3	P156 Y157 R181 R199 S200 F203	P156-V183 HydrophobicContact CB-CB 3.77Å; P156-V183 HydrophobicContact CB-CG1 4.04Å; P156-V183 HydrophobicContact CB-CG2 4.12Å; P156-V183 HydrophobicContact CG-CB 3.94Å; P156-V183 HydrophobicContact CG-CG1 4.38Å; P156-V183 HydrophobicContact CG-CG2 3.69Å; Y157-V183 HydrophobicContact CD1-CG1 3.84Å; Y157-V183 HydrophobicContact CE1-CB 4.47Å; Y157-V183 HydrophobicContact CE1-CG1 3.6Å; Y157-V183 HydrophobicContact CE1-CG2 4Å; Y157-V183 HydrophobicContact CE2-CG2 4.2Å; R181-V183 PolarHBondContact O-N 3.29Å; V183-R199 WeakPolarHBondContact O-CA 3.39Å; V183-S200 PolarHBondContact O-N 2.85Å; V183-F203 HydrophobicContact CG2-CB 3.55Å; V183-F203 HydrophobicContact CG2-CD1 3.47Å; V183-F203 VanDerWaalsContact CG2-CD1 3.47Å; V183-F203 HydrophobicContact CG2-CD2 3.8Å; V183-F203 HydrophobicContact CG2-CE1 4.01Å; V183-F203 HydrophobicContact CG2-CE2 4.36Å; V183-F203 HydrophobicContact CG2-CG 3.3Å; V183-F203 HydrophobicContact CG2-CZ 4.42Å
184	V	92.6	Very high	86.8	Confident	36 Å²	36	72.8 Å²	72.8	22%	0.218	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-80.2	133.4	171.4	179.4	0	0	0	0	107.9	P186 A189 P196 Y198 R199	V184-P186 VanDerWaalsContact O-CD 3.3Å; V184-P186 WeakPolarHBondContact O-CD 3.25Å; V184-A189 HydrophobicContact CG1-CB 3.83Å; V184-P196 WeakPolarHBondContact CG1-O 3.44Å; V184-P196 WeakPolarHBondContact CG2-O 3.41Å; V184-Y198 WeakPolarHBondContact CA-O 3.44Å; V184-R199 HydrophobicContact CG2-CG 3.95Å
185	C	91.4	Very high	86.6	Confident	3 Å²	3	73.5 Å²	73.5	2%	0.02	38%	0.376	C	S	.	.			trans	-73.4	115.1	173.9	176.8	0	0	0	0	109.5	I187 C188 A189 F203 H206	C185-I187 PolarHBondContact O-N 2.9Å; C185-C188 HydrophobicContact CB-CB 3.99Å; C185-C188 PolarHBondContact O-N 3.5Å; C185-A189 WeakPolarHBondContact O-CB 3.44Å; C185-A189 PolarHBondContact O-N 3.3Å; C185-F203 HydrophobicContact CB-CD2 4.06Å; C185-F203 HydrophobicContact CB-CE2 3.69Å; C185-H206 PolarHBondContact SG-NE2 3.49Å; C185-H206 VanDerWaalsContact SG-NE2 3.36Å
186	P	90.4	Very high	86.5	Confident	27 Å²	27	71.1 Å²	71.1	18%	0.175	37%	0.373	C	S	.	.	H	α-helix	trans	-65.6	-28.6	-177.1	28.1	-35.9	0	0	0	112	F153 L168 V184 S190	F153-P186 HydrophobicContact CB-CB 4.17Å; F153-P186 HydrophobicContact CB-CG 4.03Å; F153-P186 HydrophobicContact CD1-CB 4.09Å; F153-P186 HydrophobicContact CG-CB 4.49Å; L168-P186 HydrophobicContact CD2-CG 3.64Å; V184-P186 VanDerWaalsContact O-CD 3.3Å; V184-P186 WeakPolarHBondContact O-CD 3.25Å; P186-S190 WeakPolarHBondContact O-CB 3.46Å; P186-S190 PolarHBondContact O-N 3.12Å; P186-S190 VanDerWaalsContact O-N 3.13Å
187	I	88.7	Confident	86.6	Confident	9 Å²	9	76 Å²	76	5%	0.046	40%	0.399	C	S	.	.	H	α-helix	trans	-66.4	-53.4	175.5	-50.7	174.7	0	0	0	109.7	F153 Q165 L168 C185 A189 S190 L207 H211	F153-I187 HydrophobicContact CD1-CG1 4.22Å; F153-I187 HydrophobicContact CD2-CG1 3.81Å; F153-I187 HydrophobicContact CE1-CB 4.35Å; F153-I187 HydrophobicContact CE1-CG1 4.21Å; F153-I187 HydrophobicContact CE2-CB 4.48Å; F153-I187 HydrophobicContact CE2-CD1 4.49Å; F153-I187 HydrophobicContact CE2-CG1 3.79Å; F153-I187 HydrophobicContact CE2-CG2 4.38Å; F153-I187 HydrophobicContact CG-CG1 4.02Å; F153-I187 HydrophobicContact CZ-CB 4.22Å; F153-I187 HydrophobicContact CZ-CG1 3.99Å; F153-I187 HydrophobicContact CZ-CG2 4.03Å; Q165-I187 HydrophobicContact CB-CD1 4.36Å; Q165-I187 HydrophobicContact CG-CD1 3.95Å; L168-I187 HydrophobicContact CD2-CD1 3.93Å; L168-I187 HydrophobicContact CD2-CG1 3.92Å; C185-I187 PolarHBondContact O-N 2.9Å; I187-A189 PolarHBondContact O-N 3.39Å; I187-S190 PolarHBondContact O-N 3.22Å; I187-S190 PolarHBondContact O-OG 3.28Å; I187-L207 HydrophobicContact CD1-CD2 4.13Å; I187-H211 HydrophobicContact CD1-CB 3.99Å; I187-H211 VanDerWaalsContact CG2-CE1 3.43Å; I187-H211 WeakPolarHBondContact CG2-CE1 3.47Å
188	C	88.6	Confident	87	Confident	42 Å²	42	79.8 Å²	79.8	28%	0.284	40%	0.402	S	S	.	.	H	α-helix	trans	-63.8	-41.3	178.6	-74.3	0	0	0	0	112.4	C185 S190 M191 G194 H206 H211	C185-C188 HydrophobicContact CB-CB 3.99Å; C185-C188 PolarHBondContact O-N 3.5Å; C188-S190 PolarHBondContact O-N 3.07Å; C188-M191 VanDerWaalsContact O-CB 3.31Å; C188-M191 WeakPolarHBondContact O-CB 3.5Å; C188-M191 WeakPolarHBondContact O-CG 3.19Å; C188-M191 PolarHBondContact O-N 3.11Å; C188-G194 VanDerWaalsContact O-CA 3.22Å; C188-G194 WeakPolarHBondContact O-CA 3.45Å; C188-H206 VanDerWaalsContact SG-CE1 3.57Å; C188-H211 PolarHBondContact SG-NE2 3.34Å
189	A	89.2	Confident	87.4	Confident	30 Å²	30	76.1 Å²	76.1	25%	0.248	39%	0.389	C	S	.	.	H	α-helix	trans	-63.5	-24.1	177.6	0	0	0	0	0	113.2	V184 C185 I187 M191	V184-A189 HydrophobicContact CG1-CB 3.83Å; C185-A189 WeakPolarHBondContact O-CB 3.44Å; C185-A189 PolarHBondContact O-N 3.3Å; I187-A189 PolarHBondContact O-N 3.39Å; A189-M191 VanDerWaalsContact C-N 3.31Å
190	S	86.9	Confident	87.4	Confident	18 Å²	18	74.2 Å²	74.2	13%	0.126	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-11	174.4	76.1	0	0	0	0	114.3	N149 P186 I187 C188	N149-S190 WeakPolarHBondContact O-CB 3.47Å; P186-S190 WeakPolarHBondContact O-CB 3.46Å; P186-S190 PolarHBondContact O-N 3.12Å; P186-S190 VanDerWaalsContact O-N 3.13Å; I187-S190 PolarHBondContact O-N 3.22Å; I187-S190 PolarHBondContact O-OG 3.28Å; C188-S190 PolarHBondContact O-N 3.07Å
191	M	83.2	Confident	87.3	Confident	73 Å²	73	72 Å²	72	36%	0.36	37%	0.373	S	S	.	.	S	Bend	trans	-76.3	147.2	179.8	-58.8	-62.5	-70.6	0	0	110.9	C188 A189 W193 G194	C188-M191 VanDerWaalsContact O-CB 3.31Å; C188-M191 WeakPolarHBondContact O-CB 3.5Å; C188-M191 WeakPolarHBondContact O-CG 3.19Å; C188-M191 PolarHBondContact O-N 3.11Å; A189-M191 VanDerWaalsContact C-N 3.31Å; M191-W193 HydrophobicContact CB-CD2 4.46Å; M191-W193 HydrophobicContact CE-CH2 3.68Å; M191-W193 HydrophobicContact CE-CZ2 3.15Å; M191-W193 PolarHBondContact O-N 3.3Å; M191-G194 PolarHBondContact O-N 3.33Å
192	P	77.6	Confident	87.2	Confident	115 Å²	115	69.4 Å²	69.4	75%	0.747	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.3	178.6	-23.7	33.1	0	0	0	114.6
193	W	80.3	Confident	87	Confident	201 Å²	201	64.7 Å²	64.7	76%	0.761	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	10.5	176.9	53.3	82.6	0	0	0	112.8	M191	M191-W193 HydrophobicContact CB-CD2 4.46Å; M191-W193 HydrophobicContact CE-CH2 3.68Å; M191-W193 HydrophobicContact CE-CZ2 3.15Å; M191-W193 PolarHBondContact O-N 3.3Å
194	G	81.8	Confident	86.5	Confident	24 Å²	24	66.5 Å²	66.5	25%	0.247	35%	0.354	C	S	.	.			trans	-74	146.6	177.1	0	0	0	0	0	112.2	C188 M191 P196	C188-G194 VanDerWaalsContact O-CA 3.22Å; C188-G194 WeakPolarHBondContact O-CA 3.45Å; M191-G194 PolarHBondContact O-N 3.33Å; G194-P196 WeakPolarHBondContact O-CD 3.4Å
195	D	84.4	Confident	86.1	Confident	91 Å²	91	70 Å²	70	49%	0.487	37%	0.368	S	S	.	.			trans	-97.7	111.1	170	179.3	-1	0	0	0	109.7	N197 Y198	D195-N197 PolarHBondContact O-N 3.1Å; D195-N197 VanDerWaalsContact O-N 3.16Å; D195-N197 WeakPolarHBondContact OD1-CB 3.34Å; D195-N197 PolarHBondContact OD1-N 2.63Å; D195-Y198 PolarHBondContact O-N 3.15Å
196	P	87.8	Confident	86	Confident	83 Å²	83	71.7 Å²	71.7	54%	0.539	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-14	178.6	-21.7	34.4	0	0	0	114.5	V184 G194	V184-P196 WeakPolarHBondContact CG1-O 3.44Å; V184-P196 WeakPolarHBondContact CG2-O 3.41Å; G194-P196 WeakPolarHBondContact O-CD 3.4Å
197	N	91.1	Very high	85.8	Confident	133 Å²	133	70.5 Å²	70.5	71%	0.711	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-8.5	178.9	-61.1	-60.8	0	0	0	112.7	D195 R199	D195-N197 PolarHBondContact O-N 3.1Å; D195-N197 VanDerWaalsContact O-N 3.16Å; D195-N197 WeakPolarHBondContact OD1-CB 3.34Å; D195-N197 PolarHBondContact OD1-N 2.63Å; N197-R199 PolarHBondContact O-N 3.26Å; N197-R199 VanDerWaalsContact O-N 3.14Å
198	Y	90.3	Very high	85.4	Confident	138 Å²	138	74.8 Å²	74.8	54%	0.541	39%	0.386	S	S	.	.			trans	-69.4	112.9	-180	178.4	-96.8	0	0	0	110.7	V184 D195	V184-Y198 WeakPolarHBondContact CA-O 3.44Å; D195-Y198 PolarHBondContact O-N 3.15Å
199	R	89.8	Confident	85.1	Confident	163 Å²	163	77.8 Å²	77.8	62%	0.615	40%	0.398	S	S	*	.	B	Isolated β-bridge	trans	-97.1	119.8	176.4	-67	176	175.9	-107.1	2.4	109.3	H182 V183 V184 N197	H182-R199 HydrophobicContact CB-CB 4.05Å; H182-R199 PolarHBondContact O-NH1 2.79Å; V183-R199 WeakPolarHBondContact O-CA 3.39Å; V184-R199 HydrophobicContact CG2-CG 3.95Å; N197-R199 PolarHBondContact O-N 3.26Å; N197-R199 VanDerWaalsContact O-N 3.14Å
200	S	85.5	Confident	84.8	Confident	3 Å²	3	85 Å²	85	2%	0.021	42%	0.419	C	S	.	.			trans	-69.4	132.4	177.7	-62.8	0	0	0	0	109.9	V183 D202	V183-S200 PolarHBondContact O-N 2.85Å; S200-D202 VanDerWaalsContact C-N 3.33Å
201	A	82.2	Confident	84.6	Confident	79 Å²	79	85 Å²	85	65%	0.653	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-36.3	175.5	0	0	0	0	0	111.8
202	D	85.3	Confident	84.2	Confident	76 Å²	76	84.7 Å²	84.7	41%	0.406	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	89.7	167.8	-170.1	-24.8	0	0	0	108.8	S200 F204 Q205 H206	S200-D202 VanDerWaalsContact C-N 3.33Å; D202-F204 VanDerWaalsContact C-N 3.28Å; D202-F204 PolarHBondContact O-N 3.35Å; D202-F204 PolarHBondContact OD1-N 3.21Å; D202-Q205 HydrophobicContact CB-CB 4.02Å; D202-Q205 WeakPolarHBondContact OD1-CB 3.21Å; D202-Q205 PolarHBondContact OD1-N 2.62Å; D202-Q205 WeakPolarHBondContact OD2-CB 3.01Å; D202-Q205 PolarHBondContact OD2-OE1 3.19Å; D202-H206 WeakPolarHBondContact O-CB 3.31Å; D202-H206 PolarHBondContact O-N 3.36Å
203	F	86.7	Confident	83.5	Confident	3 Å²	3	85.7 Å²	85.7	1%	0.013	41%	0.412	C	S	.	.	H	α-helix	trans	-64.3	-34.4	-179.6	172	-110.4	0	0	0	112.3	P156 Y157 C172 V183 C185 H206 L207	P156-F203 HydrophobicContact CG-CD1 4.48Å; P156-F203 HydrophobicContact CG-CE1 3.73Å; P156-F203 HydrophobicContact CG-CE2 4.46Å; P156-F203 HydrophobicContact CG-CZ 3.7Å; Y157-F203 HydrophobicContact CD2-CD1 4.46Å; Y157-F203 HydrophobicContact CD2-CE1 4.37Å; Y157-F203 AromaticContact CE2-CD1 3.41Å; Y157-F203 HydrophobicContact CE2-CD1 3.41Å; Y157-F203 VanDerWaalsContact CE2-CD1 3.41Å; Y157-F203 AromaticContact CE2-CE1 3.69Å; Y157-F203 HydrophobicContact CE2-CE1 3.69Å; Y157-F203 AromaticContact CZ-CD1 3.73Å; Y157-F203 WeakPolarHBondContact OH-CD1 3.49Å; C172-F203 HydrophobicContact CB-CE1 4.48Å; V183-F203 HydrophobicContact CG2-CB 3.55Å; V183-F203 HydrophobicContact CG2-CD1 3.47Å; V183-F203 VanDerWaalsContact CG2-CD1 3.47Å; V183-F203 HydrophobicContact CG2-CD2 3.8Å; V183-F203 HydrophobicContact CG2-CE1 4.01Å; V183-F203 HydrophobicContact CG2-CE2 4.36Å; V183-F203 HydrophobicContact CG2-CG 3.3Å; V183-F203 HydrophobicContact CG2-CZ 4.42Å; C185-F203 HydrophobicContact CB-CD2 4.06Å; C185-F203 HydrophobicContact CB-CE2 3.69Å; F203-H206 WeakPolarHBondContact O-CB 3.31Å; F203-H206 PolarHBondContact O-N 2.86Å; F203-L207 HydrophobicContact CD1-CD1 4.07Å; F203-L207 HydrophobicContact CD1-CG 4.48Å; F203-L207 HydrophobicContact CD2-CG 4.24Å; F203-L207 HydrophobicContact CE1-CD1 3.39Å; F203-L207 HydrophobicContact CE1-CG 4.05Å; F203-L207 HydrophobicContact CE2-CD1 3.95Å; F203-L207 HydrophobicContact CE2-CD2 3.89Å; F203-L207 HydrophobicContact CE2-CG 3.69Å; F203-L207 HydrophobicContact CZ-CD1 3.33Å; F203-L207 HydrophobicContact CZ-CD2 3.93Å; F203-L207 HydrophobicContact CZ-CG 3.64Å; F203-L207 WeakPolarHBondContact O-CG 3.35Å; F203-L207 PolarHBondContact O-N 3.22Å
204	F	83.5	Confident	82.4	Confident	50 Å²	50	77.5 Å²	77.5	22%	0.219	39%	0.386	C	S	.	.	H	α-helix	trans	-67.1	-48.4	-180	175.1	-114.4	0	0	0	111.5	T173 D202 H206 L207 K208	T173-F204 HydrophobicContact CG2-CE2 3.81Å; T173-F204 HydrophobicContact CG2-CZ 4Å; T173-F204 WeakPolarHBondContact OG1-CE2 3.28Å; D202-F204 VanDerWaalsContact C-N 3.28Å; D202-F204 PolarHBondContact O-N 3.35Å; D202-F204 PolarHBondContact OD1-N 3.21Å; F204-H206 VanDerWaalsContact C-N 3.3Å; F204-H206 PolarHBondContact O-N 2.7Å; F204-L207 PolarHBondContact O-N 3.35Å; F204-K208 HydrophobicContact CD1-CD 4.39Å; F204-K208 HydrophobicContact CE1-CD 3.89Å; F204-K208 HydrophobicContact CE2-CD 4.11Å; F204-K208 HydrophobicContact CZ-CD 3.8Å; F204-K208 PolarHBondContact O-N 3.48Å; F204-K208 VanDerWaalsContact O-N 3.08Å
205	Q	83.4	Confident	80.9	Confident	108 Å²	108	83 Å²	83	51%	0.505	40%	0.4	S	S	.	.	H	α-helix	trans	-63.9	-38	175.2	-173.5	173.9	-1.1	0	0	111.2	D202 K208 I209	D202-Q205 HydrophobicContact CB-CB 4.02Å; D202-Q205 WeakPolarHBondContact OD1-CB 3.21Å; D202-Q205 PolarHBondContact OD1-N 2.62Å; D202-Q205 WeakPolarHBondContact OD2-CB 3.01Å; D202-Q205 PolarHBondContact OD2-OE1 3.19Å; Q205-K208 PolarHBondContact O-N 2.82Å; Q205-I209 HydrophobicContact CG-CD1 3.66Å; Q205-I209 HydrophobicContact CG-CG1 4.37Å; Q205-I209 VanDerWaalsContact O-CG1 3.29Å; Q205-I209 WeakPolarHBondContact O-CG1 3.19Å; Q205-I209 PolarHBondContact O-N 3.48Å
206	H	88.6	Confident	79.3	Confident	40 Å²	40	84.3 Å²	84.3	19%	0.185	41%	0.407	C	S	.	.	H	α-helix	trans	-59	-50.6	174.1	165.1	80.9	0	0	0	112.5	C185 C188 D202 F203 F204 K208 I209 R210 H211	C185-H206 PolarHBondContact SG-NE2 3.49Å; C185-H206 VanDerWaalsContact SG-NE2 3.36Å; C188-H206 VanDerWaalsContact SG-CE1 3.57Å; D202-H206 WeakPolarHBondContact O-CB 3.31Å; D202-H206 PolarHBondContact O-N 3.36Å; F203-H206 WeakPolarHBondContact O-CB 3.31Å; F203-H206 PolarHBondContact O-N 2.86Å; F204-H206 VanDerWaalsContact C-N 3.3Å; F204-H206 PolarHBondContact O-N 2.7Å; H206-K208 VanDerWaalsContact C-N 3.29Å; H206-K208 PolarHBondContact O-N 3.33Å; H206-I209 PolarHBondContact O-N 3.49Å; H206-R210 WeakPolarHBondContact O-CB 3.41Å; H206-R210 PolarHBondContact O-N 2.94Å; H206-H211 AromaticContact CE1-NE2 3.91Å; H206-H211 AromaticContact NE2-CD2 3.55Å; H206-H211 AromaticContact NE2-NE2 3.4Å; H206-H211 PolarHBondContact NE2-NE2 3.36Å
207	L	85.9	Confident	77.8	Confident	2 Å²	2	85.3 Å²	85.3	1%	0.01	41%	0.411	C	S	.	.	H	α-helix	trans	-56.6	-45.1	177.1	-79.7	-178.8	0	0	0	111.2	L168 V169 C172 I187 F203 F204 I209 H211 T212	L168-L207 HydrophobicContact CD2-CD2 4.46Å; V169-L207 HydrophobicContact CG2-CB 4.39Å; C172-L207 HydrophobicContact CB-CD1 3.88Å; I187-L207 HydrophobicContact CD1-CD2 4.13Å; F203-L207 HydrophobicContact CD1-CD1 4.07Å; F203-L207 HydrophobicContact CD1-CG 4.48Å; F203-L207 HydrophobicContact CD2-CG 4.24Å; F203-L207 HydrophobicContact CE1-CD1 3.39Å; F203-L207 HydrophobicContact CE1-CG 4.05Å; F203-L207 HydrophobicContact CE2-CD1 3.95Å; F203-L207 HydrophobicContact CE2-CD2 3.89Å; F203-L207 HydrophobicContact CE2-CG 3.69Å; F203-L207 HydrophobicContact CZ-CD1 3.33Å; F203-L207 HydrophobicContact CZ-CD2 3.93Å; F203-L207 HydrophobicContact CZ-CG 3.64Å; F203-L207 WeakPolarHBondContact O-CG 3.35Å; F203-L207 PolarHBondContact O-N 3.22Å; F204-L207 PolarHBondContact O-N 3.35Å; L207-I209 PolarHBondContact O-N 3.12Å; L207-H211 HydrophobicContact CD2-CB 4.23Å; L207-H211 CarbonylContact O-C 3.41Å; L207-H211 VanDerWaalsContact O-CA 3.3Å; L207-H211 WeakPolarHBondContact O-CA 3.5Å; L207-H211 WeakPolarHBondContact O-CB 3.36Å; L207-H211 PolarHBondContact O-N 2.8Å; L207-T212 PolarHBondContact O-N 2.97Å; L207-T212 VanDerWaalsContact O-N 3.13Å; L207-T212 PolarHBondContact O-OG1 3.4Å
208	K	81.1	Confident	76	Confident	99 Å²	99	86.1 Å²	86.1	43%	0.43	41%	0.409	S	S	.	.	H	α-helix	trans	-61.4	-41.2	178.8	-78.8	-176.1	163.2	-175.3	0	113.9	F204 Q205 H206 T212	F204-K208 HydrophobicContact CD1-CD 4.39Å; F204-K208 HydrophobicContact CE1-CD 3.89Å; F204-K208 HydrophobicContact CE2-CD 4.11Å; F204-K208 HydrophobicContact CZ-CD 3.8Å; F204-K208 PolarHBondContact O-N 3.48Å; F204-K208 VanDerWaalsContact O-N 3.08Å; Q205-K208 PolarHBondContact O-N 2.82Å; H206-K208 VanDerWaalsContact C-N 3.29Å; H206-K208 PolarHBondContact O-N 3.33Å; K208-T212 VanDerWaalsContact CA-OG1 3.31Å; K208-T212 WeakPolarHBondContact CA-OG1 3.25Å; K208-T212 WeakPolarHBondContact O-CB 3.46Å; K208-T212 PolarHBondContact O-OG1 3.48Å
209	I	82.3	Confident	74.3	Confident	105 Å²	105	81.1 Å²	81.1	54%	0.538	39%	0.393	S	S	.	.	H	α-helix	trans	-80.5	-39.4	-176.5	-66.5	171.2	0	0	0	111.5	Q205 H206 L207	Q205-I209 HydrophobicContact CG-CD1 3.66Å; Q205-I209 HydrophobicContact CG-CG1 4.37Å; Q205-I209 VanDerWaalsContact O-CG1 3.29Å; Q205-I209 WeakPolarHBondContact O-CG1 3.19Å; Q205-I209 PolarHBondContact O-N 3.48Å; H206-I209 PolarHBondContact O-N 3.49Å; L207-I209 PolarHBondContact O-N 3.12Å
210	R	82.2	Confident	73	Confident	180 Å²	180	76.6 Å²	76.6	68%	0.679	38%	0.381	S	S	*	.	H	α-helix	trans	-103.2	-21.1	-168.5	-64.1	-61.4	-170.8	122.1	-0.9	114.3	H206	H206-R210 WeakPolarHBondContact O-CB 3.41Å; H206-R210 PolarHBondContact O-N 2.94Å
211	H	83.1	Confident	72	Confident	19 Å²	19	84.1 Å²	84.1	9%	0.088	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-1.8	-169.8	-61.9	-62.7	0	0	0	114.2	Q165 V169 I187 C188 H206 L207 F213	Q165-H211 HydrophobicContact CG-CB 4.26Å; Q165-H211 PolarHBondContact NE2-O 3.11Å; V169-H211 HydrophobicContact CG2-CB 4.29Å; I187-H211 HydrophobicContact CD1-CB 3.99Å; I187-H211 VanDerWaalsContact CG2-CE1 3.43Å; I187-H211 WeakPolarHBondContact CG2-CE1 3.47Å; C188-H211 PolarHBondContact SG-NE2 3.34Å; H206-H211 AromaticContact CE1-NE2 3.91Å; H206-H211 AromaticContact NE2-CD2 3.55Å; H206-H211 AromaticContact NE2-NE2 3.4Å; H206-H211 PolarHBondContact NE2-NE2 3.36Å; L207-H211 HydrophobicContact CD2-CB 4.23Å; L207-H211 CarbonylContact O-C 3.41Å; L207-H211 VanDerWaalsContact O-CA 3.3Å; L207-H211 WeakPolarHBondContact O-CA 3.5Å; L207-H211 WeakPolarHBondContact O-CB 3.36Å; L207-H211 PolarHBondContact O-N 2.8Å; H211-F213 VanDerWaalsContact C-N 3.34Å
212	T	76.3	Confident	71.4	Confident	66 Å²	66	84.7 Å²	84.7	41%	0.405	41%	0.409	S	S	.	.			trans	-90.1	0.7	167.6	-49.1	0	0	0	0	112.5	V169 L207 K208 S214	V169-T212 WeakPolarHBondContact CG1-OG1 3.3Å; L207-T212 PolarHBondContact O-N 2.97Å; L207-T212 VanDerWaalsContact O-N 3.13Å; L207-T212 PolarHBondContact O-OG1 3.4Å; K208-T212 VanDerWaalsContact CA-OG1 3.31Å; K208-T212 WeakPolarHBondContact CA-OG1 3.25Å; K208-T212 WeakPolarHBondContact O-CB 3.46Å; K208-T212 PolarHBondContact O-OG1 3.48Å; T212-S214 PolarHBondContact O-N 2.92Å
213	F	62.8	Low	70.7	Confident	136 Å²	136	83.5 Å²	83.5	60%	0.596	40%	0.404	S	S	*	.			trans	-72.9	95.2	178.5	-171	-98.4	0	0	0	110.7	H211 Y215	H211-F213 VanDerWaalsContact C-N 3.34Å; F213-Y215 AromaticContact CE1-CD2 3.97Å; F213-Y215 HydrophobicContact CE1-CD2 3.97Å; F213-Y215 HydrophobicContact CZ-CD2 4.24Å
214	S	56.8	Low	70.2	Confident	30 Å²	30	88.3 Å²	88.3	21%	0.21	43%	0.43	C	S	.	.			trans	-102.4	124.7	167.7	165.8	0	0	0	0	109.6	T212 D216 T217	T212-S214 PolarHBondContact O-N 2.92Å; S214-D216 PolarHBondContact O-N 2.68Å; S214-D216 PolarHBondContact OG-N 2.97Å; S214-T217 PolarHBondContact O-N 2.82Å
215	Y	49.8	Very low	69.7	Low	140 Å²	140	93 Å²	93	55%	0.549	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-61.8	-27.9	177.3	-142	-103	0	0	0	111.4	F213 T217 F218 V219 Y221	F213-Y215 AromaticContact CE1-CD2 3.97Å; F213-Y215 HydrophobicContact CE1-CD2 3.97Å; F213-Y215 HydrophobicContact CZ-CD2 4.24Å; Y215-T217 PolarHBondContact O-N 3.06Å; Y215-F218 PolarHBondContact O-N 2.98Å; Y215-V219 HydrophobicContact CD1-CB 3.8Å; Y215-V219 HydrophobicContact CD1-CG1 4.35Å; Y215-V219 HydrophobicContact CD1-CG2 3.45Å; Y215-V219 VanDerWaalsContact CD1-CG2 3.45Å; Y215-V219 HydrophobicContact CE1-CB 4.02Å; Y215-V219 HydrophobicContact CE1-CG1 4.26Å; Y215-V219 HydrophobicContact CE1-CG2 3.34Å; Y215-V219 HydrophobicContact CG-CG2 4.23Å; Y215-V219 WeakPolarHBondContact O-CB 3.32Å; Y215-V219 PolarHBondContact O-N 3.17Å; Y215-Y221 WeakPolarHBondContact CD1-OH 3.45Å
216	D	51.5	Low	69.5	Low	118 Å²	118	94 Å²	94	63%	0.631	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-67.4	-17.6	179	-62.8	-56.8	0	0	0	113.6	S214 Y221	S214-D216 PolarHBondContact O-N 2.68Å; S214-D216 PolarHBondContact OG-N 2.97Å; D216-Y221 WeakPolarHBondContact OD1-CE2 3.27Å
217	T	54.7	Low	69.2	Low	103 Å²	103	95.5 Å²	95.5	63%	0.632	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-82.1	-22.7	179.6	-47.3	0	0	0	0	112.3	S214 Y215	S214-T217 PolarHBondContact O-N 2.82Å; Y215-T217 PolarHBondContact O-N 3.06Å
218	F	54.4	Low	68.9	Low	151 Å²	151	98.1 Å²	98.1	66%	0.662	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	-14.8	-174.9	-65.9	-81.4	0	0	0	113.5	Y215 M228	Y215-F218 PolarHBondContact O-N 2.98Å; F218-M228 WeakPolarHBondContact O-CE 3.34Å
219	V	55.2	Low	69	Low	32 Å²	32	97.7 Å²	97.7	19%	0.194	48%	0.484	C	S	.	.			trans	-113.7	99.3	177.2	-176.6	0	0	0	0	109.2	Y215 Y221 M228	Y215-V219 HydrophobicContact CD1-CB 3.8Å; Y215-V219 HydrophobicContact CD1-CG1 4.35Å; Y215-V219 HydrophobicContact CD1-CG2 3.45Å; Y215-V219 VanDerWaalsContact CD1-CG2 3.45Å; Y215-V219 HydrophobicContact CE1-CB 4.02Å; Y215-V219 HydrophobicContact CE1-CG1 4.26Å; Y215-V219 HydrophobicContact CE1-CG2 3.34Å; Y215-V219 HydrophobicContact CG-CG2 4.23Å; Y215-V219 WeakPolarHBondContact O-CB 3.32Å; Y215-V219 PolarHBondContact O-N 3.17Å; V219-Y221 HydrophobicContact CB-CE2 4.48Å; V219-Y221 HydrophobicContact CG1-CD1 3.91Å; V219-Y221 HydrophobicContact CG1-CD2 4.47Å; V219-Y221 HydrophobicContact CG1-CE1 3.73Å; V219-Y221 HydrophobicContact CG1-CE2 4.31Å; V219-Y221 HydrophobicContact CG1-CG 4.29Å; V219-Y221 WeakPolarHBondContact O-CD2 3.19Å; V219-Y221 PolarHBondContact O-N 3.09Å; V219-M228 HydrophobicContact CG1-CE 4.49Å
220	D	61.1	Low	69.1	Low	69 Å²	69	98.1 Å²	98.1	37%	0.369	48%	0.483	S	S	.	.			trans	-78	97	165.7	178.8	14.3	0	0	0	109.2	S222 T223	D220-S222 VanDerWaalsContact CG-OG 3.23Å; D220-S222 PolarHBondContact O-N 3.42Å; D220-S222 WeakPolarHBondContact OD1-CB 3.28Å; D220-S222 PolarHBondContact OD1-N 3.37Å; D220-S222 PolarHBondContact OD1-OG 2.89Å; D220-S222 PolarHBondContact OD2-OG 3.14Å; D220-T223 PolarHBondContact O-N 2.62Å; D220-T223 PolarHBondContact OD2-OG1 2.88Å
221	Y	66.1	Low	69.2	Low	160 Å²	160	93.6 Å²	93.6	63%	0.627	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-5.8	176.1	-59.6	-80.8	0	0	0	114.4	Y215 D216 V219	Y215-Y221 WeakPolarHBondContact CD1-OH 3.45Å; D216-Y221 WeakPolarHBondContact OD1-CE2 3.27Å; V219-Y221 HydrophobicContact CB-CE2 4.48Å; V219-Y221 HydrophobicContact CG1-CD1 3.91Å; V219-Y221 HydrophobicContact CG1-CD2 4.47Å; V219-Y221 HydrophobicContact CG1-CE1 3.73Å; V219-Y221 HydrophobicContact CG1-CE2 4.31Å; V219-Y221 HydrophobicContact CG1-CG 4.29Å; V219-Y221 WeakPolarHBondContact O-CD2 3.19Å; V219-Y221 PolarHBondContact O-N 3.09Å
222	S	68.8	Low	69.2	Low	91 Å²	91	95.2 Å²	95.2	64%	0.636	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-9.8	171.9	66.1	0	0	0	0	114.1	D220	D220-S222 VanDerWaalsContact CG-OG 3.23Å; D220-S222 PolarHBondContact O-N 3.42Å; D220-S222 WeakPolarHBondContact OD1-CB 3.28Å; D220-S222 PolarHBondContact OD1-N 3.37Å; D220-S222 PolarHBondContact OD1-OG 2.89Å; D220-S222 PolarHBondContact OD2-OG 3.14Å
223	T	71.1	Confident	69.6	Low	51 Å²	51	97.2 Å²	97.2	31%	0.313	50%	0.495	S	S	.	.	S	Bend	trans	-95.8	137.9	176.5	-64	0	0	0	0	110.4	D220 T227 M228	D220-T223 PolarHBondContact O-N 2.62Å; D220-T223 PolarHBondContact OD2-OG1 2.88Å; T223-T227 HydrophobicContact CG2-CG2 3.97Å; T223-M228 HydrophobicContact CG2-CG 3.77Å
224	D	76.5	Confident	70.7	Confident	104 Å²	104	95.5 Å²	95.5	56%	0.556	49%	0.489	S	S	*	.			trans	-64.2	139.7	178.3	-178.1	-103.2	0	0	0	111.7	H226 T227 M228	D224-H226 PolarHBondContact O-N 3.07Å; D224-H226 WeakPolarHBondContact OD1-CB 3.34Å; D224-H226 PolarHBondContact OD1-N 2.82Å; D224-H226 VanDerWaalsContact OD1-N 3.15Å; D224-T227 WeakPolarHBondContact O-CA 3.45Å; D224-T227 WeakPolarHBondContact O-CB 3.36Å; D224-T227 PolarHBondContact O-N 3.44Å; D224-M228 PolarHBondContact O-N 3.23Å; D224-M228 VanDerWaalsContact O-N 3.14Å
225	E	73	Confident	71.9	Confident	149 Å²	149	101.6 Å²	101.6	70%	0.696	51%	0.507	S	S	*	.	H	α-helix	trans	-54.8	-39.3	-175.8	-177.5	-179.4	-172.1	0	0	112.1	T227 M228 I229	E225-T227 VanDerWaalsContact C-N 3.26Å; E225-T227 PolarHBondContact O-N 3.35Å; E225-M228 PolarHBondContact O-N 3.18Å; E225-I229 HydrophobicContact CG-CD1 3.88Å; E225-I229 WeakPolarHBondContact O-CG1 3.31Å; E225-I229 PolarHBondContact O-N 3.02Å
226	H	79	Confident	73.4	Confident	129 Å²	129	99 Å²	99	60%	0.597	51%	0.509	S	S	*	.	H	α-helix	trans	-65	-34.3	179.1	-169.3	-76.4	0	0	0	111.7	D224 Q230	D224-H226 PolarHBondContact O-N 3.07Å; D224-H226 WeakPolarHBondContact OD1-CB 3.34Å; D224-H226 PolarHBondContact OD1-N 2.82Å; D224-H226 VanDerWaalsContact OD1-N 3.15Å; H226-Q230 VanDerWaalsContact O-CB 3.32Å; H226-Q230 WeakPolarHBondContact O-CB 3.44Å; H226-Q230 PolarHBondContact O-N 3.41Å; H226-Q230 VanDerWaalsContact O-N 3.09Å
227	T	81.4	Confident	74.9	Confident	71 Å²	71	100 Å²	100	44%	0.436	51%	0.513	S	S	.	.	H	α-helix	trans	-71.8	-42.9	179.4	-53.1	0	0	0	0	110.8	T223 D224 E225 I229 Q230 E231	T223-T227 HydrophobicContact CG2-CG2 3.97Å; D224-T227 WeakPolarHBondContact O-CA 3.45Å; D224-T227 WeakPolarHBondContact O-CB 3.36Å; D224-T227 PolarHBondContact O-N 3.44Å; E225-T227 VanDerWaalsContact C-N 3.26Å; E225-T227 PolarHBondContact O-N 3.35Å; T227-I229 PolarHBondContact O-N 2.83Å; T227-Q230 PolarHBondContact O-N 3.22Å; T227-E231 WeakPolarHBondContact O-CB 3.49Å; T227-E231 PolarHBondContact O-N 2.99Å
228	M	79.1	Confident	76	Confident	57 Å²	57	101.8 Å²	101.8	28%	0.281	52%	0.516	S	S	.	.	H	α-helix	trans	-62	-43.6	176.6	-66	-166.2	75	0	0	112.3	F218 V219 T223 D224 E225 E231 A232	F218-M228 WeakPolarHBondContact O-CE 3.34Å; V219-M228 HydrophobicContact CG1-CE 4.49Å; T223-M228 HydrophobicContact CG2-CG 3.77Å; D224-M228 PolarHBondContact O-N 3.23Å; D224-M228 VanDerWaalsContact O-N 3.14Å; E225-M228 PolarHBondContact O-N 3.18Å; M228-E231 PolarHBondContact O-N 2.94Å; M228-A232 WeakPolarHBondContact O-CB 3.43Å; M228-A232 PolarHBondContact O-N 2.94Å
229	I	84.3	Confident	76.5	Confident	90 Å²	90	102.8 Å²	102.8	46%	0.462	52%	0.523	S	S	.	.	H	α-helix	trans	-65.1	-43.4	178.6	-68.1	168.8	0	0	0	110.7	E225 T227 E231 A232 L233	E225-I229 HydrophobicContact CG-CD1 3.88Å; E225-I229 WeakPolarHBondContact O-CG1 3.31Å; E225-I229 PolarHBondContact O-N 3.02Å; T227-I229 PolarHBondContact O-N 2.83Å; I229-E231 VanDerWaalsContact C-N 3.33Å; I229-E231 PolarHBondContact O-N 3.33Å; I229-A232 PolarHBondContact O-N 3.07Å; I229-L233 HydrophobicContact CG2-CD1 3.99Å; I229-L233 HydrophobicContact CG2-CG 4.46Å; I229-L233 VanDerWaalsContact O-CG 3.29Å; I229-L233 WeakPolarHBondContact O-CG 3.45Å; I229-L233 PolarHBondContact O-N 3.2Å
230	Q	84.6	Confident	76.1	Confident	114 Å²	114	111.5 Å²	111.5	53%	0.533	57%	0.569	S	S	.	*	H	α-helix	trans	-64.2	-38.7	179.6	-172.3	172	-28	0	0	111.9	H226 T227 L233 Q234	H226-Q230 VanDerWaalsContact O-CB 3.32Å; H226-Q230 WeakPolarHBondContact O-CB 3.44Å; H226-Q230 PolarHBondContact O-N 3.41Å; H226-Q230 VanDerWaalsContact O-N 3.09Å; T227-Q230 PolarHBondContact O-N 3.22Å; Q230-L233 PolarHBondContact O-N 2.87Å; Q230-Q234 WeakPolarHBondContact O-CB 3.42Å; Q230-Q234 PolarHBondContact O-N 3.42Å
231	E	83.7	Confident	76.8	Confident	85 Å²	85	113.6 Å²	113.6	40%	0.397	58%	0.579	S	S	.	*	H	α-helix	trans	-69.1	-40.6	176.9	-162.2	-177.5	159.5	0	0	112.2	T227 M228 I229 Q234 R235	T227-E231 WeakPolarHBondContact O-CB 3.49Å; T227-E231 PolarHBondContact O-N 2.99Å; M228-E231 PolarHBondContact O-N 2.94Å; I229-E231 VanDerWaalsContact C-N 3.33Å; I229-E231 PolarHBondContact O-N 3.33Å; E231-Q234 PolarHBondContact O-N 3.24Å; E231-R235 VanDerWaalsContact O-CG 3.31Å; E231-R235 WeakPolarHBondContact O-CG 3.46Å; E231-R235 PolarHBondContact O-N 3.37Å; E231-R235 IonicContact OE1-CZ 2.9Å; E231-R235 IonicContact OE1-NE 3.5Å; E231-R235 PolarHBondContact OE1-NE 3.14Å; E231-R235 IonicContact OE1-NH2 3.15Å; E231-R235 PolarHBondContact OE1-NH2 3.28Å
232	A	82.4	Confident	77.4	Confident	54 Å²	54	111.2 Å²	111.2	45%	0.446	58%	0.576	S	S	.	*	H	α-helix	trans	-60.9	-45.4	174.5	0	0	0	0	0	111.5	M228 I229 Q234 R235 S236	M228-A232 WeakPolarHBondContact O-CB 3.43Å; M228-A232 PolarHBondContact O-N 2.94Å; I229-A232 PolarHBondContact O-N 3.07Å; A232-Q234 VanDerWaalsContact C-N 3.33Å; A232-Q234 PolarHBondContact O-N 2.92Å; A232-R235 PolarHBondContact O-N 3.27Å; A232-S236 PolarHBondContact O-N 3.48Å; A232-S236 PolarHBondContact O-OG 3.34Å
233	L	85.7	Confident	77.9	Confident	108 Å²	108	112.3 Å²	112.3	57%	0.565	57%	0.573	S	S	*	*	H	α-helix	trans	-61.2	-42	175	-71.1	170.4	0	0	0	111.7	I229 Q230 S236 L237	I229-L233 HydrophobicContact CG2-CD1 3.99Å; I229-L233 HydrophobicContact CG2-CG 4.46Å; I229-L233 VanDerWaalsContact O-CG 3.29Å; I229-L233 WeakPolarHBondContact O-CG 3.45Å; I229-L233 PolarHBondContact O-N 3.2Å; Q230-L233 PolarHBondContact O-N 2.87Å; L233-S236 PolarHBondContact O-N 3.03Å; L233-L237 VanDerWaalsContact O-CG 3.27Å; L233-L237 WeakPolarHBondContact O-CG 3.43Å; L233-L237 PolarHBondContact O-N 3.04Å; L233-L237 VanDerWaalsContact O-N 3.11Å
234	Q	85.4	Confident	78.3	Confident	100 Å²	100	115.9 Å²	115.9	47%	0.467	59%	0.588	S	S	.	*	H	α-helix	trans	-66.1	-39.8	179.2	-171	171.8	1.7	0	0	112.1	Q230 E231 A232 L237 M238	Q230-Q234 WeakPolarHBondContact O-CB 3.42Å; Q230-Q234 PolarHBondContact O-N 3.42Å; E231-Q234 PolarHBondContact O-N 3.24Å; A232-Q234 VanDerWaalsContact C-N 3.33Å; A232-Q234 PolarHBondContact O-N 2.92Å; Q234-L237 PolarHBondContact O-N 3.25Å; Q234-M238 HydrophobicContact CG-CE 3.98Å; Q234-M238 WeakPolarHBondContact O-CG 3.15Å; Q234-M238 PolarHBondContact O-N 3.33Å
235	R	82.2	Confident	78.4	Confident	158 Å²	158	116.6 Å²	116.6	60%	0.596	59%	0.59	S	S	*	*	H	α-helix	trans	-64.4	-44	175.1	-72.2	170.3	-179	-125.9	6.8	111.7	E231 A232 L237 M238 E239	E231-R235 VanDerWaalsContact O-CG 3.31Å; E231-R235 WeakPolarHBondContact O-CG 3.46Å; E231-R235 PolarHBondContact O-N 3.37Å; E231-R235 IonicContact OE1-CZ 2.9Å; E231-R235 IonicContact OE1-NE 3.5Å; E231-R235 PolarHBondContact OE1-NE 3.14Å; E231-R235 IonicContact OE1-NH2 3.15Å; E231-R235 PolarHBondContact OE1-NH2 3.28Å; A232-R235 PolarHBondContact O-N 3.27Å; R235-L237 PolarHBondContact O-N 2.9Å; R235-M238 PolarHBondContact O-N 3.49Å; R235-M238 VanDerWaalsContact O-N 3.1Å; R235-E239 PolarHBondContact O-N 3.11Å
236	S	81.2	Confident	78.8	Confident	84 Å²	84	114.5 Å²	114.5	59%	0.587	58%	0.583	S	S	*	*	H	α-helix	trans	-62.7	-26.9	175.2	-62.1	0	0	0	0	113.5	A232 L233	A232-S236 PolarHBondContact O-N 3.48Å; A232-S236 PolarHBondContact O-OG 3.34Å; L233-S236 PolarHBondContact O-N 3.03Å
237	L	83.8	Confident	78.8	Confident	139 Å²	139	113.4 Å²	113.4	73%	0.728	58%	0.582	S	S	*	*	H	α-helix	trans	-80.5	-22.7	175.8	-71.2	168	0	0	0	113.4	L233 Q234 R235	L233-L237 VanDerWaalsContact O-CG 3.27Å; L233-L237 WeakPolarHBondContact O-CG 3.43Å; L233-L237 PolarHBondContact O-N 3.04Å; L233-L237 VanDerWaalsContact O-N 3.11Å; Q234-L237 PolarHBondContact O-N 3.25Å; R235-L237 PolarHBondContact O-N 2.9Å
238	M	76.3	Confident	78.6	Confident	141 Å²	141	116.7 Å²	116.7	70%	0.695	59%	0.593	S	S	*	*	H	α-helix	trans	-86.8	-16.8	178.5	-69.7	-168.9	-177.5	0	0	113.4	Q234 R235 N240	Q234-M238 HydrophobicContact CG-CE 3.98Å; Q234-M238 WeakPolarHBondContact O-CG 3.15Å; Q234-M238 PolarHBondContact O-N 3.33Å; R235-M238 PolarHBondContact O-N 3.49Å; R235-M238 VanDerWaalsContact O-N 3.1Å; M238-N240 VanDerWaalsContact C-N 3.27Å; M238-N240 PolarHBondContact O-N 3.21Å
239	E	65.6	Low	78.5	Confident	173 Å²	173	121.7 Å²	121.7	81%	0.808	62%	0.619	S	S	*	*			trans	-88.1	19.2	178.6	-70.3	-177.1	162.5	0	0	113.8	R235	R235-E239 PolarHBondContact O-N 3.11Å
240	N	47.2	Very low	78	Confident	214 Å²	214	124.5 Å²	124.5	100%	1.144	63%	0.633	S	S	*	*			trans	-121.1	0	-178.7	-152.5	58.3	0	0	0	112.8	M238	M238-N240 VanDerWaalsContact C-N 3.27Å; M238-N240 PolarHBondContact O-N 3.21Å

Retrieved 240 of 240 residues in 146.8 ms (Link to these results)

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