A0A077YVU0_TRITR Loading...

GPP34 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YVU0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 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	34.3	Very low	37	Very low	248 Å²	248	161.4 Å²	161.4	100%	1.222	86%	0.86	S	S	*	*				0	118.5	0	-88.7	177.8	-100.3	0	0	107.5
2	S	35.8	Very low	38.3	Very low	113 Å²	113	156.7 Å²	156.7	79%	0.79	84%	0.842	S	S	*	*			trans	-71.2	147.2	-179.8	177.4	0	0	0	0	111
3	I	36.6	Very low	39	Very low	137 Å²	137	156.6 Å²	156.6	70%	0.703	83%	0.833	S	S	*	*			trans	161.5	112.1	135.5	-77.8	152.9	0	0	0	108.6	E5	I3-E5 HydrophobicContact CG2-CG 4.3Å
4	A	39.4	Very low	39.6	Very low	103 Å²	103	150.3 Å²	150.3	85%	0.851	81%	0.814	S	S	*	*			trans	-145.8	81.6	149.8	0	0	0	0	0	107.1
5	E	41	Very low	40.6	Very low	176 Å²	176	147.1 Å²	147.1	82%	0.822	80%	0.801	S	S	*	*			trans	-52.9	151.6	155.6	-62.2	164.9	145.4	0	0	108.6	I3	I3-E5 HydrophobicContact CG2-CG 4.3Å
6	G	35.6	Very low	41.1	Very low	71 Å²	71	147.1 Å²	147.1	73%	0.732	79%	0.794	S	S	*	*			cis	160.6	115.6	14.7	0	0	0	0	0	104.4	V8	G6-V8 PolarHBondContact O-N 3.35Å
7	L	30.3	Very low	41.7	Very low	182 Å²	182	146.8 Å²	146.8	95%	0.953	79%	0.786	S	S	*	*			trans	-65.6	117.6	-178.6	-114.9	91.8	0	0	0	110.7
8	V	35.8	Very low	42.1	Very low	125 Å²	125	142.2 Å²	142.2	76%	0.758	77%	0.772	S	S	*	*			trans	-143.4	97	159	-175	0	0	0	0	109.6	G6 R10	G6-V8 PolarHBondContact O-N 3.35Å; V8-R10 HydrophobicContact CG1-CG 4.46Å
9	Q	39.9	Very low	42.6	Very low	191 Å²	191	140.2 Å²	140.2	89%	0.893	76%	0.764	S	S	*	*			trans	-117.6	108.2	156.1	-87.8	-175.2	-10.7	0	0	108.7	K11	Q9-K11 PolarHBondContact O-N 3.01Å
10	R	37.2	Very low	42.7	Very low	230 Å²	230	136.7 Å²	136.7	87%	0.868	75%	0.75	S	S	*	*			trans	-59.6	112.4	175.8	-73.5	172.6	171	165.6	-3.7	109.5	V8 T12	V8-R10 HydrophobicContact CG1-CG 4.46Å; R10-T12 PolarHBondContact O-N 3.41Å
11	K	41.2	Very low	42.9	Very low	199 Å²	199	133.4 Å²	133.4	87%	0.865	74%	0.741	S	S	*	*			trans	-82	108	164.8	-76.7	-176.7	176	179.7	0	108.7	Q9	Q9-K11 PolarHBondContact O-N 3.01Å
12	T	52.2	Low	43.4	Very low	105 Å²	105	125.5 Å²	125.5	64%	0.644	72%	0.716	S	S	*	*			trans	-68.9	139.4	178.2	-42.3	0	0	0	0	110.5	R10 A14 V15	R10-T12 PolarHBondContact O-N 3.41Å; T12-A14 PolarHBondContact O-N 3.49Å; T12-V15 PolarHBondContact O-N 2.79Å
13	Q	47.4	Very low	43.7	Very low	156 Å²	156	124 Å²	124	73%	0.729	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.4	-13.8	-179	-81.6	172.8	-24.6	0	0	115.8	V15 Q16 Q17	Q13-V15 VanDerWaalsContact C-N 3.33Å; Q13-V15 PolarHBondContact O-N 3.45Å; Q13-Q16 PolarHBondContact O-N 2.78Å; Q13-Q17 PolarHBondContact O-N 2.91Å
14	A	48.1	Very low	43.9	Very low	68 Å²	68	125.8 Å²	125.8	56%	0.562	72%	0.716	S	S	*	*	H	α-helix	trans	-65.3	-29.1	177.1	0	0	0	0	0	114	T12 A18	T12-A14 PolarHBondContact O-N 3.49Å; A14-A18 PolarHBondContact O-N 3.14Å
15	V	54.8	Low	43.7	Very low	102 Å²	102	131.8 Å²	131.8	62%	0.618	72%	0.716	S	S	*	*	H	α-helix	trans	-79.2	-30.1	-179.1	-178.4	0	0	0	0	111.8	T12 Q13 V19	T12-V15 PolarHBondContact O-N 2.79Å; Q13-V15 VanDerWaalsContact C-N 3.33Å; Q13-V15 PolarHBondContact O-N 3.45Å; V15-V19 WeakPolarHBondContact O-CG2 3.49Å; V15-V19 PolarHBondContact O-N 3.33Å
16	Q	48.5	Very low	43.3	Very low	147 Å²	147	130.8 Å²	130.8	69%	0.687	72%	0.717	S	S	*	*	H	α-helix	trans	-77.7	-28.3	179.1	-109.9	153.1	-15.9	0	0	113.1	Q13 S20	Q13-Q16 PolarHBondContact O-N 2.78Å; Q16-S20 PolarHBondContact O-N 2.86Å; Q16-S20 PolarHBondContact O-OG 3.11Å
17	Q	50.6	Low	43.2	Very low	143 Å²	143	134.3 Å²	134.3	67%	0.668	72%	0.723	S	S	*	*	H	α-helix	trans	-76.7	-30	173.6	-74.7	179.2	-16.5	0	0	112.9	Q13 S20 A21	Q13-Q17 PolarHBondContact O-N 2.91Å; Q17-S20 WeakPolarHBondContact CA-OG 3.46Å; Q17-S20 PolarHBondContact O-OG 3.17Å; Q17-A21 WeakPolarHBondContact O-CB 3.39Å; Q17-A21 PolarHBondContact O-N 2.96Å
18	A	49.4	Very low	43.5	Very low	64 Å²	64	131.1 Å²	131.1	53%	0.529	72%	0.716	S	S	.	*	H	α-helix	trans	-70	-34.5	175.6	0	0	0	0	0	113	A14	A14-A18 PolarHBondContact O-N 3.14Å
19	V	50.7	Low	43.3	Very low	104 Å²	104	132.3 Å²	132.3	63%	0.63	72%	0.718	S	S	*	*	H	α-helix	trans	-78	-28.1	179.6	177.9	0	0	0	0	112.2	V15	V15-V19 WeakPolarHBondContact O-CG2 3.49Å; V15-V19 PolarHBondContact O-N 3.33Å
20	S	45.1	Very low	43	Very low	69 Å²	69	130.4 Å²	130.4	48%	0.483	72%	0.715	S	S	.	*	H	α-helix	trans	-84.1	-24.6	177.9	38.2	0	0	0	0	113.6	Q16 Q17	Q16-S20 PolarHBondContact O-N 2.86Å; Q16-S20 PolarHBondContact O-OG 3.11Å; Q17-S20 WeakPolarHBondContact CA-OG 3.46Å; Q17-S20 PolarHBondContact O-OG 3.17Å
21	A	47.5	Very low	42.9	Very low	68 Å²	68	125 Å²	125	56%	0.562	71%	0.707	S	S	*	*	H	α-helix	trans	-76	-21.4	171.9	0	0	0	0	0	113.6	Q17	Q17-A21 WeakPolarHBondContact O-CB 3.39Å; Q17-A21 PolarHBondContact O-N 2.96Å
22	A	44.8	Very low	42.3	Very low	83 Å²	83	123.7 Å²	123.7	69%	0.686	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-15.3	176.5	0	0	0	0	0	113.4
23	A	42.5	Very low	41.5	Very low	82 Å²	82	125.8 Å²	125.8	68%	0.678	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	10.1	-174.9	0	0	0	0	0	114.6
24	Q	39.1	Very low	40.7	Very low	173 Å²	173	127.5 Å²	127.5	81%	0.808	72%	0.719	S	S	*	*	S	Bend	trans	-127	17.8	-177.5	-74	-174.1	-9.3	0	0	114.3
25	R	36.4	Very low	40.2	Very low	229 Å²	229	130.1 Å²	130.1	86%	0.864	73%	0.728	S	S	*	*			trans	-115.8	57.9	172.7	-72	-172.3	-174.8	161.1	1.6	111.6
26	D	31.5	Very low	39.3	Very low	156 Å²	156	132.7 Å²	132.7	83%	0.834	74%	0.737	S	S	*	*			trans	-137.4	109	160.2	-97.3	-34.5	0	0	0	106.8
27	V	34	Very low	38.4	Very low	144 Å²	144	131.8 Å²	131.8	87%	0.873	74%	0.737	S	S	*	*			trans	165.3	87.4	147.7	172.4	0	0	0	0	106.9
28	S	36.6	Very low	37.6	Very low	115 Å²	115	128.9 Å²	128.9	80%	0.804	73%	0.732	S	S	*	*			trans	176.7	110.2	141.2	46	0	0	0	0	110.6
29	N	30.9	Very low	36.7	Very low	150 Å²	150	132.3 Å²	132.3	80%	0.802	74%	0.742	S	S	*	*			trans	4	123.7	156.3	-63.9	-11.8	0	0	0	117.9
30	D	34.6	Very low	35.9	Very low	152 Å²	152	136.6 Å²	136.6	81%	0.813	76%	0.755	S	S	*	*				-173.1	121.6	105.1	-86.9	-28.1	0	0	0	110.9
31	V	34.4	Very low	35.6	Very low	117 Å²	117	137.7 Å²	137.7	71%	0.709	76%	0.759	S	S	*	*			trans	2.4	138.4	144.8	-177.3	0	0	0	0	117.4
32	E	30.3	Very low	35.3	Very low	171 Å²	171	139.6 Å²	139.6	80%	0.799	76%	0.76	S	S	*	*			trans	88.1	88.7	164.3	-71.5	154.4	-152.2	0	0	118.6
33	D	33.8	Very low	35.5	Very low	148 Å²	148	146 Å²	146	79%	0.791	77%	0.772	S	S	*	*				178.6	80.4	112.6	-97.4	-23.6	0	0	0	108.7	V35	D33-V35 HydrophobicContact CB-CG2 4.42Å; D33-V35 PolarHBondContact O-N 2.75Å
34	E	31	Very low	36.4	Very low	192 Å²	192	145.5 Å²	145.5	90%	0.897	76%	0.758	S	S	*	*			trans	-68.3	85	157	-81.3	-175.9	172.3	0	0	107.2	L36	E34-L36 VanDerWaalsContact C-N 3.27Å; E34-L36 PolarHBondContact O-N 2.87Å
35	V	37.8	Very low	37.9	Very low	124 Å²	124	140.5 Å²	140.5	75%	0.752	74%	0.739	S	S	*	*			trans	-63.5	99.9	162	-169.3	0	0	0	0	105.3	D33 D37	D33-V35 HydrophobicContact CB-CG2 4.42Å; D33-V35 PolarHBondContact O-N 2.75Å; V35-D37 PolarHBondContact O-N 2.69Å
36	L	36.4	Very low	40.4	Very low	155 Å²	155	139.2 Å²	139.2	81%	0.812	73%	0.734	S	S	*	*			trans	-36.4	98.9	176.9	-72.9	160.8	0	0	0	110.8	E34 S38	E34-L36 VanDerWaalsContact C-N 3.27Å; E34-L36 PolarHBondContact O-N 2.87Å; L36-S38 PolarHBondContact O-N 3.2Å
37	D	28.2	Very low	43.5	Very low	129 Å²	129	132.7 Å²	132.7	69%	0.69	70%	0.699	S	S	*	*			trans	-71	81.5	163.9	-165.8	15.3	0	0	0	106.2	V35 D39	V35-D37 PolarHBondContact O-N 2.69Å; D37-D39 PolarHBondContact O-N 2.7Å; D37-D39 VanDerWaalsContact O-N 3.11Å; D37-D39 VanDerWaalsContact OD1-CB 3.26Å; D37-D39 WeakPolarHBondContact OD1-CB 3.48Å
38	S	34.9	Very low	46.5	Very low	81 Å²	81	126 Å²	126	57%	0.566	66%	0.659	S	S	*	*			trans	-79	33.3	175.2	74.8	0	0	0	0	111.1	L36 E40 V41	L36-S38 PolarHBondContact O-N 3.2Å; S38-E40 PolarHBondContact O-N 3.42Å; S38-V41 WeakPolarHBondContact O-CG2 3.45Å; S38-V41 PolarHBondContact O-N 3.4Å
39	D	31.2	Very low	49.4	Very low	136 Å²	136	120.5 Å²	120.5	73%	0.727	62%	0.62	S	S	*	*			trans	-71.5	27.4	-175.5	-88.9	-2.7	0	0	0	114.5	D37	D37-D39 PolarHBondContact O-N 2.7Å; D37-D39 VanDerWaalsContact O-N 3.11Å; D37-D39 VanDerWaalsContact OD1-CB 3.26Å; D37-D39 WeakPolarHBondContact OD1-CB 3.48Å
40	E	33.3	Very low	52.6	Low	195 Å²	195	113.4 Å²	113.4	91%	0.911	58%	0.583	S	S	*	*			trans	-101.5	34.4	151.3	-75.6	-158	152.8	0	0	111.4	S38 D42	S38-E40 PolarHBondContact O-N 3.42Å; E40-D42 PolarHBondContact O-N 3.45Å
41	V	38	Very low	55.6	Low	91 Å²	91	106.2 Å²	106.2	55%	0.552	54%	0.544	S	S	*	.			trans	-73	98	173.9	-166.6	0	0	0	0	109.6	S38	S38-V41 WeakPolarHBondContact O-CG2 3.45Å; S38-V41 PolarHBondContact O-N 3.4Å
42	D	40.9	Very low	58.5	Low	109 Å²	109	101.4 Å²	101.4	58%	0.583	51%	0.514	S	S	*	.			trans	0	128.2	153.6	-145.9	-11.4	0	0	0	115	E40 D44	E40-D42 PolarHBondContact O-N 3.45Å; D42-D44 HydrophobicContact CB-CB 4.33Å; D42-D44 PolarHBondContact O-N 3.45Å
43	K	50.3	Low	61.7	Low	217 Å²	217	93.3 Å²	93.3	94%	0.943	48%	0.476	S	S	*	.	S	Bend	trans	-60.8	8.6	174	-76	-178.6	177.1	176.1	0	113.8
44	D	61.5	Low	64.6	Low	72 Å²	72	86.5 Å²	86.5	39%	0.385	44%	0.439	S	S	.	.	S	Bend	trans	-75.6	136.2	-179.8	-84.6	-13.9	0	0	0	110.9	D42 R46 K199	D42-D44 HydrophobicContact CB-CB 4.33Å; D42-D44 PolarHBondContact O-N 3.45Å; D44-R46 PolarHBondContact O-N 3.46Å; D44-R46 VanDerWaalsContact O-N 3.09Å; D44-K199 IonicContact OD1-NZ 2.69Å; D44-K199 PolarHBondContact OD1-NZ 3.31Å; D44-K199 IonicContact OD2-NZ 2.87Å; D44-K199 PolarHBondContact OD2-NZ 3.38Å
45	T	69.9	Low	67.6	Low	68 Å²	68	77.3 Å²	77.3	42%	0.417	40%	0.397	S	S	.	.			trans	-51.5	115.9	178	-56.6	0	0	0	0	110.6	L47 K171 V173	T45-L47 HydrophobicContact CG2-CD2 4.02Å; T45-L47 PolarHBondContact O-N 3.23Å; T45-K171 HydrophobicContact CG2-CB 3.77Å; T45-K171 HydrophobicContact CG2-CD 4.4Å; T45-K171 HydrophobicContact CG2-CG 4.21Å; T45-V173 HydrophobicContact CG2-CG2 4.39Å
46	R	88.6	Confident	70.3	Confident	202 Å²	202	71.5 Å²	71.5	76%	0.762	36%	0.361	S	S	*	.			trans	-74.4	100.8	-177.4	-165	173	-179.1	174.8	2.8	111	D44 K171	D44-R46 PolarHBondContact O-N 3.46Å; D44-R46 VanDerWaalsContact O-N 3.09Å; R46-K171 PolarHBondContact O-NZ 3.41Å
47	L	95.9	Very high	72.9	Confident	19 Å²	19	64.3 Å²	64.3	10%	0.099	33%	0.325	C	S	.	.			trans	-86.2	155.2	175	-59.4	-172.5	0	0	0	111.6	T45 E51 E52 L55 L168 K171 V173 R222	T45-L47 HydrophobicContact CG2-CD2 4.02Å; T45-L47 PolarHBondContact O-N 3.23Å; L47-E51 WeakPolarHBondContact CA-OE2 3.31Å; L47-E51 HydrophobicContact CB-CB 4.15Å; L47-E52 HydrophobicContact CB-CG 3.75Å; L47-E52 HydrophobicContact CD1-CG 4.23Å; L47-L55 HydrophobicContact CD1-CD2 4.09Å; L47-L168 HydrophobicContact CD1-CD2 4.33Å; L47-L168 HydrophobicContact CD2-CD2 3.83Å; L47-K171 HydrophobicContact CD2-CD 3.8Å; L47-V173 HydrophobicContact CD2-CG2 4.15Å; L47-R222 PolarHBondContact O-NH2 2.73Å
48	T	97.8	Very high	75.8	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.018	30%	0.295	C	S	.	.			trans	-86.1	161.9	168.1	68	0	0	0	0	110.9	M50 E51 E52 R222	T48-M50 HydrophobicContact CG2-CE 3.86Å; T48-M50 PolarHBondContact O-N 3.46Å; T48-M50 WeakPolarHBondContact OG1-CE 3.33Å; T48-E51 PolarHBondContact N-OE2 2.87Å; T48-E51 WeakPolarHBondContact O-CB 3.25Å; T48-E51 PolarHBondContact O-N 3.24Å; T48-E51 VanDerWaalsContact OG1-CD 3.27Å; T48-E51 VanDerWaalsContact OG1-CG 3.22Å; T48-E51 WeakPolarHBondContact OG1-CG 3.4Å; T48-E51 PolarHBondContact OG1-N 3.33Å; T48-E51 PolarHBondContact OG1-OE2 2.81Å; T48-E52 PolarHBondContact O-N 2.96Å; T48-R222 VanDerWaalsContact CA-NH2 3.3Å
49	L	98	Very high	78.1	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.3	-36.5	179.1	-77.9	172.2	0	0	0	111.2	E51 E52 V53 C79 V82 E83 L86 R222 A225 L226	L49-E51 VanDerWaalsContact C-N 3.32Å; L49-E51 PolarHBondContact O-N 3.39Å; L49-E52 PolarHBondContact O-N 3.31Å; L49-V53 WeakPolarHBondContact O-CB 2.92Å; L49-V53 VanDerWaalsContact O-CG2 3.32Å; L49-V53 WeakPolarHBondContact O-CG2 3.26Å; L49-V53 PolarHBondContact O-N 3.4Å; L49-C79 HydrophobicContact CB-CB 3.89Å; L49-V82 HydrophobicContact CD1-CB 4.04Å; L49-V82 HydrophobicContact CD1-CG1 3.76Å; L49-E83 WeakPolarHBondContact CG-OE2 2.98Å; L49-E83 PolarHBondContact N-OE2 2.88Å; L49-L86 HydrophobicContact CD1-CD1 4.35Å; L49-R222 HydrophobicContact CD2-CG 3.82Å; L49-R222 HydrophobicContact CG-CG 4.29Å; L49-A225 HydrophobicContact CD1-CB 4.04Å; L49-A225 HydrophobicContact CD2-CB 4.46Å; L49-L226 HydrophobicContact CD2-CB 3.93Å
50	M	97.7	Very high	80.3	Confident	1 Å²	1	56 Å²	56	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-42.4	176.7	-56.2	152.3	-62.6	0	0	111.2	T48 L54 L76 C79 V80 I119 L120 L164	T48-M50 HydrophobicContact CG2-CE 3.86Å; T48-M50 PolarHBondContact O-N 3.46Å; T48-M50 WeakPolarHBondContact OG1-CE 3.33Å; M50-L54 VanDerWaalsContact O-CB 3.25Å; M50-L54 WeakPolarHBondContact O-CB 3.39Å; M50-L54 PolarHBondContact O-N 3.36Å; M50-L76 HydrophobicContact CB-CD2 4.14Å; M50-L76 WeakPolarHBondContact O-CD2 3.42Å; M50-C79 HydrophobicContact CB-CB 4.26Å; M50-C79 HydrophobicContact CG-CB 3.49Å; M50-C79 VanDerWaalsContact CG-CB 3.49Å; M50-V80 HydrophobicContact CG-CG2 4.08Å; M50-V80 HydrophobicContact SD-CB 4.27Å; M50-V80 HydrophobicContact SD-CG2 3.32Å; M50-V80 WeakPolarHBondContact SD-CG2 3.35Å; M50-I119 HydrophobicContact SD-CG2 4.23Å; M50-L120 HydrophobicContact CE-CD1 4.36Å; M50-L120 HydrophobicContact CE-CD2 3.63Å; M50-L120 HydrophobicContact CE-CG 3.96Å; M50-L120 HydrophobicContact SD-CD2 3.87Å; M50-L164 HydrophobicContact CB-CD1 4.16Å; M50-L164 HydrophobicContact CB-CD2 3.71Å
51	E	96.9	Very high	82.2	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-69.5	-41.9	178.2	-73.6	165.5	179.2	0	0	111.9	L47 T48 L49 L54 L55 L164 N167 L168 K171	L47-E51 WeakPolarHBondContact CA-OE2 3.31Å; L47-E51 HydrophobicContact CB-CB 4.15Å; T48-E51 PolarHBondContact N-OE2 2.87Å; T48-E51 WeakPolarHBondContact O-CB 3.25Å; T48-E51 PolarHBondContact O-N 3.24Å; T48-E51 VanDerWaalsContact OG1-CD 3.27Å; T48-E51 VanDerWaalsContact OG1-CG 3.22Å; T48-E51 WeakPolarHBondContact OG1-CG 3.4Å; T48-E51 PolarHBondContact OG1-N 3.33Å; T48-E51 PolarHBondContact OG1-OE2 2.81Å; L49-E51 VanDerWaalsContact C-N 3.32Å; L49-E51 PolarHBondContact O-N 3.39Å; E51-L54 PolarHBondContact O-N 3.01Å; E51-L55 VanDerWaalsContact O-CB 3.25Å; E51-L55 WeakPolarHBondContact O-CB 3.43Å; E51-L55 PolarHBondContact O-N 2.85Å; E51-L164 HydrophobicContact CG-CD2 3.96Å; E51-N167 VanDerWaalsContact OE1-CB 3.25Å; E51-N167 WeakPolarHBondContact OE1-CB 3.4Å; E51-N167 PolarHBondContact OE1-ND2 3.2Å; E51-L168 HydrophobicContact CB-CD2 3.9Å; E51-L168 HydrophobicContact CB-CG 4.32Å; E51-L168 HydrophobicContact CG-CD2 4.08Å; E51-L168 HydrophobicContact CG-CG 4.11Å; E51-K171 IonicContact OE1-NZ 2.67Å; E51-K171 PolarHBondContact OE1-NZ 3.31Å; E51-K171 IonicContact OE2-NZ 3.81Å; E51-K171 PolarHBondContact OE2-NZ 3.14Å
52	E	96.9	Very high	83.9	Confident	17 Å²	17	57.4 Å²	57.4	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-49.5	175.9	-71	179.3	124.7	0	0	110.7	L47 T48 L49 L54 L55 L56 L200 R222 L226	L47-E52 HydrophobicContact CB-CG 3.75Å; L47-E52 HydrophobicContact CD1-CG 4.23Å; T48-E52 PolarHBondContact O-N 2.96Å; L49-E52 PolarHBondContact O-N 3.31Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 2.95Å; E52-L55 PolarHBondContact O-N 2.9Å; E52-L55 VanDerWaalsContact O-N 3.13Å; E52-L56 WeakPolarHBondContact O-CG 3.43Å; E52-L56 PolarHBondContact O-N 3.09Å; E52-L200 HydrophobicContact CB-CD1 4.12Å; E52-L200 HydrophobicContact CB-CD2 3.94Å; E52-L200 HydrophobicContact CG-CD1 3.9Å; E52-L200 HydrophobicContact CG-CD2 4.14Å; E52-L200 WeakPolarHBondContact OE1-CD1 3.47Å; E52-R222 IonicContact OE2-CZ 3.53Å; E52-R222 IonicContact OE2-NE 3.45Å; E52-R222 PolarHBondContact OE2-NE 3.4Å; E52-R222 IonicContact OE2-NH2 2.68Å; E52-R222 PolarHBondContact OE2-NH2 2.75Å; E52-L226 HydrophobicContact CB-CD1 3.66Å; E52-L226 HydrophobicContact CB-CD2 4.36Å
53	V	96.5	Very high	85.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.1	-43.6	176.7	169.9	0	0	0	0	111.3	L49 L55 L56 G57 L72 L76 L226 L229 A230 V235	L49-V53 WeakPolarHBondContact O-CB 2.92Å; L49-V53 VanDerWaalsContact O-CG2 3.32Å; L49-V53 WeakPolarHBondContact O-CG2 3.26Å; L49-V53 PolarHBondContact O-N 3.4Å; V53-L55 VanDerWaalsContact C-N 3.32Å; V53-L55 PolarHBondContact O-N 2.91Å; V53-L56 PolarHBondContact O-N 3.18Å; V53-G57 PolarHBondContact O-N 2.83Å; V53-L72 HydrophobicContact CG1-CD1 3.93Å; V53-L76 HydrophobicContact CB-CD2 4.15Å; V53-L76 HydrophobicContact CG1-CD2 3.97Å; V53-L226 HydrophobicContact CG2-CD1 3.8Å; V53-L229 HydrophobicContact CG2-CB 4.41Å; V53-A230 HydrophobicContact CG2-CB 4.49Å; V53-V235 HydrophobicContact CG1-CG2 3.93Å
54	L	94.5	Very high	86	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-42	175.3	-178	64	0	0	0	111.8	M50 E51 E52 G57 L58 T65 W68 L164 L168	M50-L54 VanDerWaalsContact O-CB 3.25Å; M50-L54 WeakPolarHBondContact O-CB 3.39Å; M50-L54 PolarHBondContact O-N 3.36Å; E51-L54 PolarHBondContact O-N 3.01Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 2.95Å; L54-G57 PolarHBondContact O-N 3.09Å; L54-G57 VanDerWaalsContact O-N 3.13Å; L54-L58 HydrophobicContact CG-CD1 4.12Å; L54-L58 WeakPolarHBondContact O-CG 3.38Å; L54-L58 PolarHBondContact O-N 3.12Å; L54-T65 HydrophobicContact CD1-CG2 3.49Å; L54-T65 VanDerWaalsContact CD1-CG2 3.49Å; L54-W68 HydrophobicContact CD1-CZ3 3.97Å; L54-L164 HydrophobicContact CD2-CB 3.5Å; L54-L164 HydrophobicContact CD2-CD1 4.04Å; L54-L164 HydrophobicContact CD2-CG 4.41Å; L54-L168 HydrophobicContact CD2-CD1 4.05Å
55	L	94.3	Very high	86.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.2	-34.5	-179.5	-169	63	0	0	0	112.6	L47 E51 E52 V53 G57 L58 V173 L174 V191 K197 L200	L47-L55 HydrophobicContact CD1-CD2 4.09Å; E51-L55 VanDerWaalsContact O-CB 3.25Å; E51-L55 WeakPolarHBondContact O-CB 3.43Å; E51-L55 PolarHBondContact O-N 2.85Å; E52-L55 PolarHBondContact O-N 2.9Å; E52-L55 VanDerWaalsContact O-N 3.13Å; V53-L55 VanDerWaalsContact C-N 3.32Å; V53-L55 PolarHBondContact O-N 2.91Å; L55-G57 VanDerWaalsContact C-N 3.28Å; L55-G57 PolarHBondContact O-N 3.19Å; L55-L58 HydrophobicContact CD1-CD1 4.19Å; L55-L58 PolarHBondContact O-N 3.43Å; L55-V173 HydrophobicContact CD1-CG1 3.9Å; L55-V173 HydrophobicContact CD2-CG1 3.9Å; L55-L174 HydrophobicContact CD1-CD2 4.39Å; L55-V191 HydrophobicContact CD1-CG2 4.27Å; L55-K197 HydrophobicContact CD1-CB 4.37Å; L55-K197 HydrophobicContact CD1-CD 4.17Å; L55-K197 HydrophobicContact CD1-CG 4.4Å; L55-K197 HydrophobicContact CD2-CB 4.08Å; L55-K197 HydrophobicContact CD2-CG 4.39Å; L55-K197 HydrophobicContact CG-CB 4.16Å; L55-K197 HydrophobicContact CG-CD 4.22Å; L55-K197 HydrophobicContact CG-CG 4.02Å; L55-K197 VanDerWaalsContact O-CE 3.25Å; L55-K197 WeakPolarHBondContact O-CE 3.31Å; L55-L200 HydrophobicContact CB-CD2 4.13Å; L55-L200 HydrophobicContact CD2-CD2 3.94Å; L55-L200 HydrophobicContact CG-CD2 4.33Å
56	L	93.9	Very high	85.4	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-66.3	-30.1	171.6	-65	-175.9	0	0	0	112.6	E52 V53 L200 I201 V204 L226 A230 V235 N238 T239	E52-L56 WeakPolarHBondContact O-CG 3.43Å; E52-L56 PolarHBondContact O-N 3.09Å; V53-L56 PolarHBondContact O-N 3.18Å; L56-L200 HydrophobicContact CD2-CD2 3.78Å; L56-L200 HydrophobicContact CD2-CG 3.83Å; L56-L200 HydrophobicContact CG-CD2 4.06Å; L56-L200 HydrophobicContact CG-CG 4.45Å; L56-I201 HydrophobicContact CD2-CG1 3.95Å; L56-V204 HydrophobicContact CD1-CG2 4.32Å; L56-L226 HydrophobicContact CD1-CD1 4.13Å; L56-A230 HydrophobicContact CD1-CB 3.94Å; L56-V235 HydrophobicContact CB-CB 4.46Å; L56-V235 HydrophobicContact CB-CG2 4.16Å; L56-N238 WeakPolarHBondContact O-CB 3.32Å; L56-N238 PolarHBondContact O-ND2 3.37Å; L56-N238 VanDerWaalsContact O-ND2 3.1Å; L56-T239 HydrophobicContact CB-CG2 4.38Å; L56-T239 HydrophobicContact CD1-CG2 3.92Å; L56-T239 HydrophobicContact CD2-CG2 3.54Å; L56-T239 HydrophobicContact CG-CG2 4.13Å
57	G	91.2	Very high	84.2	Confident	4 Å²	4	39.1 Å²	39.1	4%	0.041	18%	0.18	C	C	.	.	H	α-helix	trans	-85	-15.6	177.3	0	0	0	0	0	115.4	V53 L54 L55 T65	V53-G57 PolarHBondContact O-N 2.83Å; L54-G57 PolarHBondContact O-N 3.09Å; L54-G57 VanDerWaalsContact O-N 3.13Å; L55-G57 VanDerWaalsContact C-N 3.28Å; L55-G57 PolarHBondContact O-N 3.19Å; G57-T65 WeakPolarHBondContact O-CA 3.37Å
58	L	89.6	Confident	83.1	Confident	12 Å²	12	42 Å²	42	6%	0.063	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-75.4	140.1	-176.8	-90.8	159.8	0	0	0	111.5	L54 L55 G63 T65 L174 K197	L54-L58 HydrophobicContact CG-CD1 4.12Å; L54-L58 WeakPolarHBondContact O-CG 3.38Å; L54-L58 PolarHBondContact O-N 3.12Å; L55-L58 HydrophobicContact CD1-CD1 4.19Å; L55-L58 PolarHBondContact O-N 3.43Å; L58-G63 WeakPolarHBondContact CD2-O 2.93Å; L58-T65 HydrophobicContact CG-CG2 4.3Å; L58-L174 HydrophobicContact CD1-CD1 4.14Å; L58-L174 HydrophobicContact CD1-CD2 4.2Å; L58-K197 PolarHBondContact O-NZ 3.26Å
59	K	82.8	Confident	81.9	Confident	98 Å²	98	43.9 Å²	43.9	43%	0.426	20%	0.199	S	C	.	.			trans	-85.6	140.6	162.4	-68.3	178.1	160.8	169.6	0	110.3	R61 E62 G63 Y64 S66	K59-R61 PolarHBondContact O-N 3.35Å; K59-E62 HydrophobicContact CB-CB 4.33Å; K59-E62 WeakPolarHBondContact CB-OE2 3.25Å; K59-G63 PolarHBondContact O-N 3.22Å; K59-Y64 PolarHBondContact N-O 3.27Å; K59-S66 WeakPolarHBondContact CE-OG 3.48Å
60	D	78.7	Confident	81.1	Confident	62 Å²	62	51.1 Å²	51.1	33%	0.332	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-46.1	-168	-70.4	-10.4	0	0	0	113.3	V191 K197	D60-V191 PolarHBondContact O-N 3.36Å; D60-V191 VanDerWaalsContact O-N 3.13Å; D60-K197 VanDerWaalsContact OD1-CD 3.31Å; D60-K197 WeakPolarHBondContact OD1-CD 3.35Å; D60-K197 WeakPolarHBondContact OD1-CE 3.34Å; D60-K197 IonicContact OD1-NZ 2.78Å; D60-K197 PolarHBondContact OD1-NZ 2.67Å
61	R	73	Confident	80.8	Confident	216 Å²	216	53.9 Å²	53.9	82%	0.815	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-38	-174.3	-74.8	-172.7	175.9	-177.4	-0.3	113.1	K59 G63	K59-R61 PolarHBondContact O-N 3.35Å; R61-G63 VanDerWaalsContact C-N 3.32Å
62	E	72.6	Confident	80.6	Confident	99 Å²	99	54 Å²	54	46%	0.463	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-23.9	-174.3	-62.9	85.3	163.3	0	0	111.7	K59 Y64	K59-E62 HydrophobicContact CB-CB 4.33Å; K59-E62 WeakPolarHBondContact CB-OE2 3.25Å; E62-Y64 WeakPolarHBondContact O-CD2 3.33Å; E62-Y64 PolarHBondContact O-N 2.8Å; E62-Y64 VanDerWaalsContact O-N 3.15Å
63	G	68.5	Low	80.4	Confident	4 Å²	4	54.2 Å²	54.2	4%	0.041	26%	0.261	C	S	.	.			trans	66.4	15.1	178.2	0	0	0	0	0	114.1	L58 K59 R61 H189	L58-G63 WeakPolarHBondContact CD2-O 2.93Å; K59-G63 PolarHBondContact O-N 3.22Å; R61-G63 VanDerWaalsContact C-N 3.32Å; G63-H189 WeakPolarHBondContact CA-O 3.49Å
64	Y	67.8	Low	80.4	Confident	49 Å²	49	54.9 Å²	54.9	19%	0.192	27%	0.265	C	S	.	.	S	Bend	trans	-127.3	145.9	175.9	-59.2	-52.9	0	0	0	110	K59 E62 R161 M186 T187 T188	K59-Y64 PolarHBondContact N-O 3.27Å; E62-Y64 WeakPolarHBondContact O-CD2 3.33Å; E62-Y64 PolarHBondContact O-N 2.8Å; E62-Y64 VanDerWaalsContact O-N 3.15Å; Y64-R161 VanDerWaalsContact CB-NH2 3.31Å; Y64-M186 HydrophobicContact CD2-CE 4.44Å; Y64-M186 HydrophobicContact CE2-CE 3.33Å; Y64-M186 HydrophobicContact CE2-SD 4.06Å; Y64-M186 VanDerWaalsContact OH-CE 3.26Å; Y64-M186 WeakPolarHBondContact OH-CE 3.48Å; Y64-M186 VanDerWaalsContact OH-CG 3.22Å; Y64-M186 WeakPolarHBondContact OH-CG 3.4Å; Y64-M186 PolarHBondContact OH-SD 2.9Å; Y64-T187 PolarHBondContact OH-O 3.13Å; Y64-T188 HydrophobicContact CE2-CG2 3.61Å; Y64-T188 VanDerWaalsContact CZ-CG2 3.5Å; Y64-T188 VanDerWaalsContact OH-CA 3.28Å; Y64-T188 WeakPolarHBondContact OH-CA 3.19Å; Y64-T188 WeakPolarHBondContact OH-CG2 3.45Å
65	T	62.2	Low	80.5	Confident	8 Å²	8	54.7 Å²	54.7	5%	0.049	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-63.3	134.3	165.9	51.2	0	0	0	0	108.2	L54 G57 L58 F67 L72	L54-T65 HydrophobicContact CD1-CG2 3.49Å; L54-T65 VanDerWaalsContact CD1-CG2 3.49Å; G57-T65 WeakPolarHBondContact O-CA 3.37Å; L58-T65 HydrophobicContact CG-CG2 4.3Å; T65-F67 PolarHBondContact O-N 2.91Å; T65-L72 HydrophobicContact CG2-CD2 4.02Å
66	S	56.2	Low	80.6	Confident	53 Å²	53	54.7 Å²	54.7	37%	0.371	26%	0.264	S	S	.	.	S	Bend	trans	-48.3	-40.6	-177.1	-58.1	0	0	0	0	111.9	K59	K59-S66 WeakPolarHBondContact CE-OG 3.48Å
67	F	63.4	Low	80.8	Confident	170 Å²	170	55.1 Å²	55.1	75%	0.746	27%	0.266	S	S	*	.			trans	-146.7	127.5	166.4	-70.3	-82.9	0	0	0	108.7	T65 N69	T65-F67 PolarHBondContact O-N 2.91Å; F67-N69 HydrophobicContact CB-CB 4.27Å; F67-N69 PolarHBondContact O-N 3.33Å
68	W	71.8	Confident	81.1	Confident	79 Å²	79	54.9 Å²	54.9	30%	0.299	26%	0.264	S	S	.	.			trans	-74.2	84.2	161.3	-172.8	-83.9	0	0	0	106.1	L54 L72 L76 V160 R161	L54-W68 HydrophobicContact CD1-CZ3 3.97Å; W68-L72 HydrophobicContact CD2-CD2 4.23Å; W68-L72 HydrophobicContact CE3-CD2 3.71Å; W68-L72 HydrophobicContact CZ3-CD2 4.08Å; W68-L76 HydrophobicContact CH2-CD1 3.23Å; W68-L76 HydrophobicContact CZ2-CD1 3.9Å; W68-L76 HydrophobicContact CZ3-CD1 3.81Å; W68-V160 HydrophobicContact CH2-CG1 4.3Å; W68-R161 HydrophobicContact CD2-CB 4.41Å; W68-R161 HydrophobicContact CE3-CB 3.92Å; W68-R161 HydrophobicContact CE3-CG 3.77Å; W68-R161 HydrophobicContact CH2-CB 3.64Å; W68-R161 HydrophobicContact CH2-CG 4.26Å; W68-R161 HydrophobicContact CZ2-CB 4.18Å; W68-R161 HydrophobicContact CZ3-CB 3.51Å; W68-R161 HydrophobicContact CZ3-CG 3.6Å
69	N	73.1	Confident	81.6	Confident	43 Å²	43	54.3 Å²	54.3	23%	0.23	26%	0.261	C	S	.	.			trans	-88.7	172.5	-170.5	65	17.2	0	0	0	111.6	F67 C71 L72 S73	F67-N69 HydrophobicContact CB-CB 4.27Å; F67-N69 PolarHBondContact O-N 3.33Å; N69-C71 PolarHBondContact O-N 2.92Å; N69-C71 VanDerWaalsContact O-N 3.16Å; N69-C71 PolarHBondContact OD1-N 3.45Å; N69-L72 PolarHBondContact O-N 3.15Å; N69-L72 VanDerWaalsContact OD1-CB 3.23Å; N69-L72 WeakPolarHBondContact OD1-CB 3.45Å; N69-L72 PolarHBondContact OD1-N 3.26Å; N69-S73 PolarHBondContact O-N 2.88Å
70	D	81.8	Confident	82.3	Confident	152 Å²	152	49.8 Å²	49.8	81%	0.813	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-12	178.8	-64	-27.4	0	0	0	113.1	P74	D70-P74 WeakPolarHBondContact O-CD 3.48Å; D70-P74 WeakPolarHBondContact O-CG 3.37Å
71	C	91.4	Very high	83.3	Confident	58 Å²	58	46.9 Å²	46.9	39%	0.392	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-41.4	177.4	-57.5	0	0	0	0	112.5	N69 S73 P74 G75 D234	N69-C71 PolarHBondContact O-N 2.92Å; N69-C71 VanDerWaalsContact O-N 3.16Å; N69-C71 PolarHBondContact OD1-N 3.45Å; C71-S73 PolarHBondContact O-N 3.12Å; C71-P74 WeakPolarHBondContact O-CD 3.34Å; C71-P74 WeakPolarHBondContact O-CG 3.41Å; C71-G75 PolarHBondContact O-N 3.4Å; C71-D234 HydrophobicContact CB-CB 4.27Å
72	L	93	Very high	84.5	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-65.7	-42.5	-177.2	-180	63.6	0	0	0	110.7	V53 T65 W68 N69 G75 L76 V235	V53-L72 HydrophobicContact CG1-CD1 3.93Å; T65-L72 HydrophobicContact CG2-CD2 4.02Å; W68-L72 HydrophobicContact CD2-CD2 4.23Å; W68-L72 HydrophobicContact CE3-CD2 3.71Å; W68-L72 HydrophobicContact CZ3-CD2 4.08Å; N69-L72 PolarHBondContact O-N 3.15Å; N69-L72 VanDerWaalsContact OD1-CB 3.23Å; N69-L72 WeakPolarHBondContact OD1-CB 3.45Å; N69-L72 PolarHBondContact OD1-N 3.26Å; L72-G75 PolarHBondContact O-N 2.92Å; L72-L76 HydrophobicContact CD1-CD1 4.32Å; L72-L76 HydrophobicContact CD1-CD2 4.32Å; L72-L76 HydrophobicContact CD1-CG 4.08Å; L72-L76 HydrophobicContact CG-CD1 4.18Å; L72-L76 HydrophobicContact CG-CG 4.34Å; L72-L76 VanDerWaalsContact O-CG 3.26Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 2.91Å; L72-V235 HydrophobicContact CD1-CG1 4.24Å
73	S	92.9	Very high	85.7	Confident	22 Å²	22	32.1 Å²	32.1	15%	0.154	17%	0.166	C	C	.	.	H	α-helix	trans	-58.7	-55.2	-178.7	-172.8	0	0	0	0	113	N69 C71 L76 R77	N69-S73 PolarHBondContact O-N 2.88Å; C71-S73 PolarHBondContact O-N 3.12Å; S73-L76 PolarHBondContact O-N 3.45Å; S73-R77 WeakPolarHBondContact O-CD 3.45Å; S73-R77 PolarHBondContact O-N 2.92Å; S73-R77 PolarHBondContact O-NH1 3.45Å; S73-R77 PolarHBondContact OG-NH1 2.88Å
74	P	95.4	Very high	87.2	Confident	15 Å²	15	32 Å²	32	10%	0.097	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-38.4	174.2	26.1	-33.5	0	0	0	111.9	D70 C71 L76 R77 G78 I140 S144 F283	D70-P74 WeakPolarHBondContact O-CD 3.48Å; D70-P74 WeakPolarHBondContact O-CG 3.37Å; C71-P74 WeakPolarHBondContact O-CD 3.34Å; C71-P74 WeakPolarHBondContact O-CG 3.41Å; P74-L76 VanDerWaalsContact C-N 3.27Å; P74-L76 PolarHBondContact O-N 3.36Å; P74-R77 CarbonylContact O-C 3.5Å; P74-R77 WeakPolarHBondContact O-CA 3.46Å; P74-R77 WeakPolarHBondContact O-CB 3.35Å; P74-R77 PolarHBondContact O-N 3.47Å; P74-G78 PolarHBondContact O-N 3.47Å; P74-I140 HydrophobicContact CB-CG2 3.84Å; P74-S144 WeakPolarHBondContact CA-OG 3.25Å; P74-F283 HydrophobicContact CB-CE1 4.11Å; P74-F283 HydrophobicContact CB-CZ 4.35Å; P74-F283 WeakPolarHBondContact O-CZ 3.31Å
75	G	96.6	Very high	88.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-53.9	-41.5	175.7	0	0	0	0	0	113.4	C71 L72 R77 G78 C79 S233	C71-G75 PolarHBondContact O-N 3.4Å; L72-G75 PolarHBondContact O-N 2.92Å; G75-R77 VanDerWaalsContact C-N 3.33Å; G75-R77 PolarHBondContact O-N 2.75Å; G75-G78 WeakPolarHBondContact O-CA 3.5Å; G75-G78 PolarHBondContact O-N 3.09Å; G75-C79 PolarHBondContact O-N 3.36Å; G75-C79 PolarHBondContact O-SG 2.81Å; G75-S233 WeakPolarHBondContact CA-OG 3.36Å
76	L	97.2	Very high	90.3	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-65.9	-31.2	173.1	-66.9	176.1	0	0	0	112.9	M50 V53 W68 L72 S73 P74 C79 V80 V160 L164	M50-L76 HydrophobicContact CB-CD2 4.14Å; M50-L76 WeakPolarHBondContact O-CD2 3.42Å; V53-L76 HydrophobicContact CB-CD2 4.15Å; V53-L76 HydrophobicContact CG1-CD2 3.97Å; W68-L76 HydrophobicContact CH2-CD1 3.23Å; W68-L76 HydrophobicContact CZ2-CD1 3.9Å; W68-L76 HydrophobicContact CZ3-CD1 3.81Å; L72-L76 HydrophobicContact CD1-CD1 4.32Å; L72-L76 HydrophobicContact CD1-CD2 4.32Å; L72-L76 HydrophobicContact CD1-CG 4.08Å; L72-L76 HydrophobicContact CG-CD1 4.18Å; L72-L76 HydrophobicContact CG-CG 4.34Å; L72-L76 VanDerWaalsContact O-CG 3.26Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 2.91Å; S73-L76 PolarHBondContact O-N 3.45Å; P74-L76 VanDerWaalsContact C-N 3.27Å; P74-L76 PolarHBondContact O-N 3.36Å; L76-C79 VanDerWaalsContact O-CB 3.31Å; L76-C79 WeakPolarHBondContact O-CB 3.49Å; L76-C79 PolarHBondContact O-N 2.97Å; L76-V80 WeakPolarHBondContact O-CG2 3.43Å; L76-V80 PolarHBondContact O-N 3.31Å; L76-V160 HydrophobicContact CD1-CG1 4.38Å; L76-L164 HydrophobicContact CD1-CD1 3.9Å; L76-L164 HydrophobicContact CD2-CD1 4.35Å
77	R	97.9	Very high	92.3	Very high	10 Å²	10	33.2 Å²	33.2	4%	0.038	17%	0.166	C	C	.	.	H	α-helix	trans	-72.6	-34.3	173.1	-84.1	69.2	-174.8	179.2	-2.9	111.1	S73 P74 G75 C79 V80 L81 I140 L143 L157	S73-R77 WeakPolarHBondContact O-CD 3.45Å; S73-R77 PolarHBondContact O-N 2.92Å; S73-R77 PolarHBondContact O-NH1 3.45Å; S73-R77 PolarHBondContact OG-NH1 2.88Å; P74-R77 CarbonylContact O-C 3.5Å; P74-R77 WeakPolarHBondContact O-CA 3.46Å; P74-R77 WeakPolarHBondContact O-CB 3.35Å; P74-R77 PolarHBondContact O-N 3.47Å; G75-R77 VanDerWaalsContact C-N 3.33Å; G75-R77 PolarHBondContact O-N 2.75Å; R77-C79 VanDerWaalsContact C-N 3.31Å; R77-V80 WeakPolarHBondContact O-CB 3.28Å; R77-V80 PolarHBondContact O-N 3.03Å; R77-L81 PolarHBondContact O-N 3.17Å; R77-L81 VanDerWaalsContact O-N 3.15Å; R77-I140 HydrophobicContact CB-CG2 4.38Å; R77-L143 HydrophobicContact CB-CB 4.29Å; R77-L143 HydrophobicContact CG-CB 3.42Å; R77-L143 VanDerWaalsContact CG-CB 3.42Å; R77-L143 PolarHBondContact NE-O 3.4Å; R77-L157 PolarHBondContact NH2-O 2.88Å
78	G	98.3	Very high	93.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-53.5	-50.1	164.4	0	0	0	0	0	111.4	P74 G75 V80 L81 V82	P74-G78 PolarHBondContact O-N 3.47Å; G75-G78 WeakPolarHBondContact O-CA 3.5Å; G75-G78 PolarHBondContact O-N 3.09Å; G78-V80 VanDerWaalsContact C-N 3.33Å; G78-V80 PolarHBondContact O-N 3.45Å; G78-L81 PolarHBondContact O-N 3.48Å; G78-L81 VanDerWaalsContact O-N 3.16Å; G78-V82 WeakPolarHBondContact O-CG2 3.2Å; G78-V82 PolarHBondContact O-N 3.32Å
79	C	98.6	Very high	95.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.4	-43.2	176.4	-60.3	0	0	0	0	112.5	L49 M50 G75 L76 R77 L81 V82 E83 L229	L49-C79 HydrophobicContact CB-CB 3.89Å; M50-C79 HydrophobicContact CB-CB 4.26Å; M50-C79 HydrophobicContact CG-CB 3.49Å; M50-C79 VanDerWaalsContact CG-CB 3.49Å; G75-C79 PolarHBondContact O-N 3.36Å; G75-C79 PolarHBondContact O-SG 2.81Å; L76-C79 VanDerWaalsContact O-CB 3.31Å; L76-C79 WeakPolarHBondContact O-CB 3.49Å; L76-C79 PolarHBondContact O-N 2.97Å; R77-C79 VanDerWaalsContact C-N 3.31Å; C79-L81 VanDerWaalsContact C-N 3.34Å; C79-L81 PolarHBondContact O-N 3.25Å; C79-V82 PolarHBondContact O-N 3.25Å; C79-E83 WeakPolarHBondContact O-CB 3.42Å; C79-E83 PolarHBondContact O-N 3.04Å; C79-L229 HydrophobicContact CB-CD1 4.34Å
80	V	98.7	Very high	96.3	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.018	13%	0.128	C	C	.	.	H	α-helix	trans	-54.9	-49.3	175.6	169.5	0	0	0	0	111.1	M50 L76 R77 G78 L84 I119 L120 A123 L157	M50-V80 HydrophobicContact CG-CG2 4.08Å; M50-V80 HydrophobicContact SD-CB 4.27Å; M50-V80 HydrophobicContact SD-CG2 3.32Å; M50-V80 WeakPolarHBondContact SD-CG2 3.35Å; L76-V80 WeakPolarHBondContact O-CG2 3.43Å; L76-V80 PolarHBondContact O-N 3.31Å; R77-V80 WeakPolarHBondContact O-CB 3.28Å; R77-V80 PolarHBondContact O-N 3.03Å; G78-V80 VanDerWaalsContact C-N 3.33Å; G78-V80 PolarHBondContact O-N 3.45Å; V80-L84 HydrophobicContact CG1-CD1 4.1Å; V80-L84 WeakPolarHBondContact O-CB 3.48Å; V80-L84 WeakPolarHBondContact O-CG 3.13Å; V80-L84 PolarHBondContact O-N 2.64Å; V80-I119 HydrophobicContact CG2-CG2 3.92Å; V80-L120 HydrophobicContact CB-CD2 4.33Å; V80-L120 HydrophobicContact CG1-CD2 4.05Å; V80-L120 HydrophobicContact CG2-CD2 4.43Å; V80-A123 HydrophobicContact CG1-CB 3.49Å; V80-A123 VanDerWaalsContact CG1-CB 3.49Å; V80-L157 HydrophobicContact CG2-CD1 4.29Å
81	L	98.8	Very high	97.1	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-67.2	-44.5	-177.7	-65.1	179.5	0	0	0	111.8	R77 G78 C79 L84 G85 I90 I127 V136 W139 I140 L143 I275 V279	R77-L81 PolarHBondContact O-N 3.17Å; R77-L81 VanDerWaalsContact O-N 3.15Å; G78-L81 PolarHBondContact O-N 3.48Å; G78-L81 VanDerWaalsContact O-N 3.16Å; C79-L81 VanDerWaalsContact C-N 3.34Å; C79-L81 PolarHBondContact O-N 3.25Å; L81-L84 PolarHBondContact O-N 2.93Å; L81-G85 PolarHBondContact O-N 3.45Å; L81-I90 HydrophobicContact CB-CD1 4.45Å; L81-I90 HydrophobicContact CD2-CD1 4.06Å; L81-I90 WeakPolarHBondContact O-CD1 3.37Å; L81-I127 HydrophobicContact CD2-CD1 4.09Å; L81-V136 HydrophobicContact CD1-CG1 3.98Å; L81-W139 HydrophobicContact CD1-CB 3.92Å; L81-W139 HydrophobicContact CD2-CB 4.24Å; L81-I140 HydrophobicContact CD1-CD1 4.48Å; L81-I140 HydrophobicContact CD1-CG1 3.81Å; L81-L143 HydrophobicContact CD2-CD1 4.28Å; L81-I275 WeakPolarHBondContact O-CG2 3.38Å; L81-V279 HydrophobicContact CB-CG2 3.89Å; L81-V279 HydrophobicContact CD1-CG2 4.3Å
82	V	98.7	Very high	97.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.1	-43.4	177.7	-179.7	0	0	0	0	111.2	L49 G78 C79 L84 G85 L86 A225 L229 M276 V279	L49-V82 HydrophobicContact CD1-CB 4.04Å; L49-V82 HydrophobicContact CD1-CG1 3.76Å; G78-V82 WeakPolarHBondContact O-CG2 3.2Å; G78-V82 PolarHBondContact O-N 3.32Å; C79-V82 PolarHBondContact O-N 3.25Å; V82-L84 PolarHBondContact O-N 3.44Å; V82-G85 PolarHBondContact O-N 2.65Å; V82-G85 VanDerWaalsContact O-N 3.11Å; V82-L86 HydrophobicContact CG1-CD1 3.92Å; V82-L86 HydrophobicContact CG1-CG 4.1Å; V82-L86 WeakPolarHBondContact O-CG 3.35Å; V82-L86 PolarHBondContact O-N 3.04Å; V82-A225 HydrophobicContact CG1-CB 3.74Å; V82-L229 HydrophobicContact CB-CD1 4.29Å; V82-L229 HydrophobicContact CG2-CD1 3.99Å; V82-M276 HydrophobicContact CG1-CB 4.09Å; V82-M276 HydrophobicContact CG1-CG 3.96Å; V82-M276 HydrophobicContact CG2-CG 4.49Å; V82-V279 HydrophobicContact CG2-CB 3.75Å; V82-V279 HydrophobicContact CG2-CG1 3.83Å; V82-V279 HydrophobicContact CG2-CG2 3.8Å
83	E	98.4	Very high	97.5	Very high	5 Å²	5	19.4 Å²	19.4	2%	0.023	10%	0.1	C	C	.	.	H	α-helix	trans	-61	-43.8	178.1	-171.2	74.8	-144.2	0	0	111.5	L49 C79 G85 R87 L120 R222	L49-E83 WeakPolarHBondContact CG-OE2 2.98Å; L49-E83 PolarHBondContact N-OE2 2.88Å; C79-E83 WeakPolarHBondContact O-CB 3.42Å; C79-E83 PolarHBondContact O-N 3.04Å; E83-G85 VanDerWaalsContact C-N 3.33Å; E83-G85 PolarHBondContact O-N 3.45Å; E83-R87 WeakPolarHBondContact O-CB 3.13Å; E83-R87 VanDerWaalsContact O-CG 3.23Å; E83-R87 WeakPolarHBondContact O-CG 3.5Å; E83-R87 PolarHBondContact O-N 3.43Å; E83-R87 IonicContact OE1-CZ 3.44Å; E83-R87 VanDerWaalsContact OE1-CZ 3.29Å; E83-R87 IonicContact OE1-NE 2.7Å; E83-R87 PolarHBondContact OE1-NE 3.43Å; E83-R87 IonicContact OE1-NH2 3.31Å; E83-R87 PolarHBondContact OE1-NH2 2.71Å; E83-L120 HydrophobicContact CB-CD1 4.44Å; E83-L120 HydrophobicContact CB-CD2 4.02Å; E83-L120 HydrophobicContact CG-CD1 3.56Å; E83-L120 HydrophobicContact CG-CD2 3.98Å; E83-L120 HydrophobicContact CG-CG 4.42Å; E83-R222 VanDerWaalsContact CD-NH1 3.29Å; E83-R222 IonicContact OE1-NH1 2.74Å; E83-R222 PolarHBondContact OE1-NH1 3.48Å; E83-R222 VanDerWaalsContact OE1-NH1 3.09Å; E83-R222 IonicContact OE2-CZ 2.97Å; E83-R222 IonicContact OE2-NH1 3.4Å; E83-R222 PolarHBondContact OE2-NH1 3.1Å; E83-R222 IonicContact OE2-NH2 3.22Å
84	L	98.6	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.9	-38.8	173.1	-74.6	173.2	0	0	0	112.3	V80 L81 V82 R87 G88 R89 I90 T115 L120 A123 L124 I127	V80-L84 HydrophobicContact CG1-CD1 4.1Å; V80-L84 WeakPolarHBondContact O-CB 3.48Å; V80-L84 WeakPolarHBondContact O-CG 3.13Å; V80-L84 PolarHBondContact O-N 2.64Å; L81-L84 PolarHBondContact O-N 2.93Å; V82-L84 PolarHBondContact O-N 3.44Å; L84-R87 PolarHBondContact O-N 3.38Å; L84-G88 PolarHBondContact O-N 3.42Å; L84-R89 HydrophobicContact CB-CB 4.3Å; L84-R89 HydrophobicContact CD2-CB 3.89Å; L84-R89 HydrophobicContact CD2-CG 4.02Å; L84-R89 WeakPolarHBondContact O-CB 3.34Å; L84-R89 PolarHBondContact O-N 2.9Å; L84-I90 HydrophobicContact CB-CD1 3.72Å; L84-I90 HydrophobicContact CB-CG1 3.76Å; L84-I90 HydrophobicContact CB-CG2 4.38Å; L84-I90 HydrophobicContact CD1-CD1 4.36Å; L84-I90 PolarHBondContact O-N 3.48Å; L84-T115 HydrophobicContact CD2-CG2 4.01Å; L84-L120 HydrophobicContact CD2-CB 4.03Å; L84-L120 HydrophobicContact CG-CD2 4.26Å; L84-A123 HydrophobicContact CD1-CB 4.22Å; L84-L124 HydrophobicContact CD1-CB 4.43Å; L84-L124 HydrophobicContact CD2-CB 4.17Å; L84-L124 HydrophobicContact CD2-CD2 4.46Å; L84-I127 HydrophobicContact CD1-CD1 4.14Å
85	G	98.3	Very high	96.9	Very high	10 Å²	10	30.3 Å²	30.3	10%	0.103	14%	0.141	C	C	.	.	H	α-helix	trans	-64.2	-49.2	177	0	0	0	0	0	112.3	L81 V82 E83 R87 G88	L81-G85 PolarHBondContact O-N 3.45Å; V82-G85 PolarHBondContact O-N 2.65Å; V82-G85 VanDerWaalsContact O-N 3.11Å; E83-G85 VanDerWaalsContact C-N 3.33Å; E83-G85 PolarHBondContact O-N 3.45Å; G85-R87 VanDerWaalsContact C-N 3.27Å; G85-R87 PolarHBondContact O-N 3.23Å; G85-G88 PolarHBondContact O-N 3.02Å
86	L	97.3	Very high	96.2	Very high	59 Å²	59	32.5 Å²	32.5	31%	0.309	16%	0.163	S	C	.	.	H	α-helix	trans	-64.2	-31.1	177.5	-66.6	177.8	0	0	0	112.4	L49 V82 G88 K221 R222 C273	L49-L86 HydrophobicContact CD1-CD1 4.35Å; V82-L86 HydrophobicContact CG1-CD1 3.92Å; V82-L86 HydrophobicContact CG1-CG 4.1Å; V82-L86 WeakPolarHBondContact O-CG 3.35Å; V82-L86 PolarHBondContact O-N 3.04Å; L86-G88 PolarHBondContact O-N 3.45Å; L86-K221 HydrophobicContact CD2-CB 4.04Å; L86-R222 HydrophobicContact CD1-CB 4.08Å; L86-R222 HydrophobicContact CD1-CG 4.41Å; L86-C273 HydrophobicContact CD2-CB 4.02Å
87	R	97.4	Very high	95.2	Very high	67 Å²	67	41.2 Å²	41.2	25%	0.253	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	6.3	172.2	-66.2	178.4	-170.4	-150.2	7.4	113.6	E83 L84 G85 R89 T115	E83-R87 WeakPolarHBondContact O-CB 3.13Å; E83-R87 VanDerWaalsContact O-CG 3.23Å; E83-R87 WeakPolarHBondContact O-CG 3.5Å; E83-R87 PolarHBondContact O-N 3.43Å; E83-R87 IonicContact OE1-CZ 3.44Å; E83-R87 VanDerWaalsContact OE1-CZ 3.29Å; E83-R87 IonicContact OE1-NE 2.7Å; E83-R87 PolarHBondContact OE1-NE 3.43Å; E83-R87 IonicContact OE1-NH2 3.31Å; E83-R87 PolarHBondContact OE1-NH2 2.71Å; L84-R87 PolarHBondContact O-N 3.38Å; G85-R87 VanDerWaalsContact C-N 3.27Å; G85-R87 PolarHBondContact O-N 3.23Å; R87-R89 HydrophobicContact CB-CG 4.17Å; R87-R89 PolarHBondContact O-N 2.9Å; R87-R89 PolarHBondContact O-NH1 3.42Å; R87-T115 PolarHBondContact NH1-O 3.27Å
88	G	97.3	Very high	94.3	Very high	24 Å²	24	51.5 Å²	51.5	25%	0.247	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	21.9	179	0	0	0	0	0	114.6	L84 G85 L86	L84-G88 PolarHBondContact O-N 3.42Å; G85-G88 PolarHBondContact O-N 3.02Å; L86-G88 PolarHBondContact O-N 3.45Å
89	R	98.3	Very high	93.6	Very high	53 Å²	53	61.3 Å²	61.3	20%	0.2	29%	0.285	C	S	.	.	S	Bend	trans	-83.5	-36.9	178.2	-60.5	-56.6	-171.3	-96.6	8.3	112	L84 R87 K110 S111 A113 A114 T115 L124	L84-R89 HydrophobicContact CB-CB 4.3Å; L84-R89 HydrophobicContact CD2-CB 3.89Å; L84-R89 HydrophobicContact CD2-CG 4.02Å; L84-R89 WeakPolarHBondContact O-CB 3.34Å; L84-R89 PolarHBondContact O-N 2.9Å; R87-R89 HydrophobicContact CB-CG 4.17Å; R87-R89 PolarHBondContact O-N 2.9Å; R87-R89 PolarHBondContact O-NH1 3.42Å; R89-K110 PolarHBondContact O-N 2.74Å; R89-S111 WeakPolarHBondContact CA-O 3.34Å; R89-S111 WeakPolarHBondContact CD-O 3.48Å; R89-S111 PolarHBondContact O-N 3.45Å; R89-S111 VanDerWaalsContact O-N 3.07Å; R89-A113 WeakPolarHBondContact CD-O 3.43Å; R89-A113 PolarHBondContact NE-O 2.98Å; R89-A114 PolarHBondContact NH2-O 2.9Å; R89-T115 HydrophobicContact CG-CG2 3.9Å; R89-L124 HydrophobicContact CB-CD1 4.06Å; R89-L124 HydrophobicContact CB-CD2 4.13Å; R89-L124 HydrophobicContact CG-CD2 4.18Å
90	I	98.6	Very high	93.1	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.9	179.2	67	177.8	0	0	0	111.3	L81 L84 V107 M108 L124 I127 I275	L81-I90 HydrophobicContact CB-CD1 4.45Å; L81-I90 HydrophobicContact CD2-CD1 4.06Å; L81-I90 WeakPolarHBondContact O-CD1 3.37Å; L84-I90 HydrophobicContact CB-CD1 3.72Å; L84-I90 HydrophobicContact CB-CG1 3.76Å; L84-I90 HydrophobicContact CB-CG2 4.38Å; L84-I90 HydrophobicContact CD1-CD1 4.36Å; L84-I90 PolarHBondContact O-N 3.48Å; I90-V107 HydrophobicContact CB-CG1 3.98Å; I90-V107 HydrophobicContact CD1-CG1 3.82Å; I90-V107 HydrophobicContact CG1-CG1 4.35Å; I90-V107 HydrophobicContact CG2-CG1 4.35Å; I90-M108 CarbonylContact C-O 3.53Å; I90-M108 VanDerWaalsContact CA-O 3.27Å; I90-M108 WeakPolarHBondContact CA-O 3.36Å; I90-L124 HydrophobicContact CG2-CD1 3.9Å; I90-I127 HydrophobicContact CD1-CD1 4.35Å; I90-I127 HydrophobicContact CG2-CD1 4.09Å; I90-I127 HydrophobicContact CG2-CG2 4.44Å; I90-I275 HydrophobicContact CD1-CD1 4.28Å; I90-I275 HydrophobicContact CD1-CG2 4.22Å; I90-I275 HydrophobicContact CG1-CD1 4.32Å; I90-I275 HydrophobicContact CG1-CG1 4.29Å; I90-I275 HydrophobicContact CG1-CG2 4.46Å
91	Q	97.8	Very high	92.9	Very high	71 Å²	71	66.8 Å²	66.8	33%	0.332	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	161.3	175.9	66.3	-174.3	11.1	0	0	109.7	M108 K110	Q91-M108 HydrophobicContact CG-CB 4.26Å; Q91-M108 PolarHBondContact N-O 3.22Å; Q91-M108 PolarHBondContact O-N 2.92Å; Q91-K110 HydrophobicContact CG-CB 4.21Å
92	L	97	Very high	92.7	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.021	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	149.6	170	-77	173.7	0	0	0	110.9	K94 L102 R105 K106 V107 V136 E274 I275 A278	L92-K94 PolarHBondContact O-N 2.97Å; L92-L102 HydrophobicContact CD1-CD2 3.68Å; L92-R105 HydrophobicContact CB-CB 4.48Å; L92-R105 HydrophobicContact CD2-CB 4.05Å; L92-K106 CarbonylContact C-O 3.5Å; L92-K106 WeakPolarHBondContact CA-O 3.37Å; L92-V107 HydrophobicContact CD2-CG2 4.37Å; L92-V136 HydrophobicContact CD2-CG2 4.02Å; L92-E274 HydrophobicContact CB-CB 4.48Å; L92-E274 HydrophobicContact CD1-CB 3.85Å; L92-E274 WeakPolarHBondContact CD1-O 3.22Å; L92-I275 HydrophobicContact CB-CD1 4.49Å; L92-I275 HydrophobicContact CD2-CD1 3.8Å; L92-I275 HydrophobicContact CG-CD1 3.65Å; L92-I275 HydrophobicContact CG-CG1 4.08Å; L92-A278 HydrophobicContact CD1-CB 3.56Å; L92-A278 HydrophobicContact CD2-CB 4.34Å; L92-A278 HydrophobicContact CG-CB 4.45Å
93	E	95.3	Very high	92.5	Very high	59 Å²	59	69.1 Å²	69.1	28%	0.276	33%	0.331	S	S	.	.			trans	-45.8	125.2	167	-177.3	-168.1	178.2	0	0	108.7	K100 R105 K106 M108	E93-K100 VanDerWaalsContact CD-NZ 3.26Å; E93-K100 IonicContact OE1-NZ 2.93Å; E93-K100 PolarHBondContact OE1-NZ 3.04Å; E93-K100 IonicContact OE2-NZ 2.69Å; E93-K100 PolarHBondContact OE2-NZ 2.78Å; E93-R105 HydrophobicContact CB-CB 4.5Å; E93-R105 PolarHBondContact O-NE 3.22Å; E93-R105 PolarHBondContact O-NH2 2.91Å; E93-K106 HydrophobicContact CB-CB 4.36Å; E93-K106 WeakPolarHBondContact CB-O 3.43Å; E93-K106 PolarHBondContact N-O 3.06Å; E93-M108 HydrophobicContact CB-CG 4.35Å
94	K	90.8	Very high	92.3	Very high	170 Å²	170	73.9 Å²	73.9	74%	0.739	36%	0.356	S	S	*	.			trans	-54.8	144.6	-178.2	-67.8	-174.1	177.8	-175.8	0	110.8	L92 G96	L92-K94 PolarHBondContact O-N 2.97Å; K94-G96 PolarHBondContact O-N 3.19Å
95	R	84.7	Confident	92.2	Very high	96 Å²	96	73.9 Å²	73.9	36%	0.362	36%	0.357	S	S	.	.			trans	-61.2	102.5	175.6	-65	-176.4	-173.3	-139.9	3.9	109.2	E264 S267 E274	R95-E264 IonicContact CZ-OE1 3.71Å; R95-E264 IonicContact NH1-OE1 2.76Å; R95-E264 PolarHBondContact NH2-O 3.26Å; R95-E264 IonicContact NH2-OE1 3.6Å; R95-S267 PolarHBondContact NH2-OG 3.06Å; R95-E274 IonicContact NE-OE1 3.09Å; R95-E274 PolarHBondContact NE-OE1 2.73Å; R95-E274 IonicContact NH2-OE1 3.57Å
96	G	82.3	Confident	92.2	Very high	46 Å²	46	76.8 Å²	76.8	47%	0.474	37%	0.366	S	S	.	.			trans	-74.9	-177.1	172.3	0	0	0	0	0	112	K94 R98 R99	K94-G96 PolarHBondContact O-N 3.19Å; G96-R98 PolarHBondContact O-N 3.28Å; G96-R99 PolarHBondContact O-N 2.88Å
97	L	77.2	Confident	92.3	Very high	184 Å²	184	74.1 Å²	74.1	96%	0.963	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-33.2	-178.7	-81.2	91.1	0	0	0	113.8	R99	L97-R99 VanDerWaalsContact C-N 3.26Å; L97-R99 PolarHBondContact O-N 3.06Å
98	R	78.8	Confident	92.3	Very high	226 Å²	226	74.2 Å²	74.2	85%	0.853	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-2.7	-178.6	-68	-172.9	-175.9	156.1	2.3	114.7	G96 K100	G96-R98 PolarHBondContact O-N 3.28Å; R98-K100 VanDerWaalsContact C-N 3.32Å; R98-K100 PolarHBondContact O-N 2.89Å
99	R	83	Confident	92.3	Very high	206 Å²	206	75.4 Å²	75.4	78%	0.777	36%	0.359	S	S	*	.			trans	43.8	54.7	-179.6	-62.2	-177.4	176.9	178.8	-1.1	112.7	G96 L97 A101	G96-R99 PolarHBondContact O-N 2.88Å; L97-R99 VanDerWaalsContact C-N 3.26Å; L97-R99 PolarHBondContact O-N 3.06Å; R99-A101 PolarHBondContact O-N 2.93Å
100	K	88.2	Confident	92.3	Very high	80 Å²	80	79.4 Å²	79.4	35%	0.348	38%	0.378	S	S	.	.			trans	-53.9	136.8	178	-65.5	175.8	-178.1	167.5	0	109.8	E93 R98 L104 R105	E93-K100 VanDerWaalsContact CD-NZ 3.26Å; E93-K100 IonicContact OE1-NZ 2.93Å; E93-K100 PolarHBondContact OE1-NZ 3.04Å; E93-K100 IonicContact OE2-NZ 2.69Å; E93-K100 PolarHBondContact OE2-NZ 2.78Å; R98-K100 VanDerWaalsContact C-N 3.32Å; R98-K100 PolarHBondContact O-N 2.89Å; K100-L104 HydrophobicContact CB-CB 4.46Å; K100-R105 HydrophobicContact CB-CG 3.85Å; K100-R105 WeakPolarHBondContact O-CD 3.25Å
101	A	93.4	Very high	92.3	Very high	37 Å²	37	81.2 Å²	81.2	31%	0.306	39%	0.391	S	S	.	.			trans	-59.8	155.8	171.5	0	0	0	0	0	111.7	R99 S103 L104 R105 E264	R99-A101 PolarHBondContact O-N 2.93Å; A101-S103 VanDerWaalsContact C-N 3.3Å; A101-S103 PolarHBondContact O-N 2.88Å; A101-L104 PolarHBondContact O-N 3.42Å; A101-R105 WeakPolarHBondContact O-CG 3.25Å; A101-R105 PolarHBondContact O-N 2.88Å; A101-E264 WeakPolarHBondContact CA-OE2 3.07Å
102	L	94.9	Very high	92.2	Very high	0 Å²	0	82.2 Å²	82.2	0%	0	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-48.7	-49.1	179	-74.7	172.9	0	0	0	112.5	L92 L104 R105 F263 E264 W277 A278	L92-L102 HydrophobicContact CD1-CD2 3.68Å; L102-L104 PolarHBondContact O-N 2.64Å; L102-L104 VanDerWaalsContact O-N 3.16Å; L102-R105 PolarHBondContact O-N 3.13Å; L102-F263 HydrophobicContact CD1-CB 4.22Å; L102-F263 WeakPolarHBondContact CD1-O 3.42Å; L102-E264 WeakPolarHBondContact CG-OE2 3.32Å; L102-E264 PolarHBondContact N-OE2 3.35Å; L102-W277 HydrophobicContact CD1-CB 3.99Å; L102-A278 HydrophobicContact CB-CB 4.02Å; L102-A278 HydrophobicContact CD2-CB 4.13Å
103	S	94.8	Very high	92.3	Very high	50 Å²	50	84.1 Å²	84.1	35%	0.35	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-59	-26.6	179.9	58.2	0	0	0	0	114.5	A101 T135	A101-S103 VanDerWaalsContact C-N 3.3Å; A101-S103 PolarHBondContact O-N 2.88Å; S103-T135 WeakPolarHBondContact O-CB 3.42Å; S103-T135 VanDerWaalsContact O-CG2 3.31Å; S103-T135 WeakPolarHBondContact O-CG2 3.31Å
104	L	95.4	Very high	92.4	Very high	105 Å²	105	84.8 Å²	84.8	55%	0.55	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-94.7	-16.4	-177.7	-62.6	178.8	0	0	0	113.4	K100 A101 L102	K100-L104 HydrophobicContact CB-CB 4.46Å; A101-L104 PolarHBondContact O-N 3.42Å; L102-L104 PolarHBondContact O-N 2.64Å; L102-L104 VanDerWaalsContact O-N 3.16Å
105	R	96.5	Very high	92.6	Very high	1 Å²	1	77.8 Å²	77.8	0%	0.004	40%	0.402	C	S	.	.	S	Bend	trans	-74.9	144.9	-179.2	-70.8	168.5	65.8	-168.7	0.3	110.5	L92 E93 K100 A101 L102 E274	L92-R105 HydrophobicContact CB-CB 4.48Å; L92-R105 HydrophobicContact CD2-CB 4.05Å; E93-R105 HydrophobicContact CB-CB 4.5Å; E93-R105 PolarHBondContact O-NE 3.22Å; E93-R105 PolarHBondContact O-NH2 2.91Å; K100-R105 HydrophobicContact CB-CG 3.85Å; K100-R105 WeakPolarHBondContact O-CD 3.25Å; A101-R105 WeakPolarHBondContact O-CG 3.25Å; A101-R105 PolarHBondContact O-N 2.88Å; L102-R105 PolarHBondContact O-N 3.13Å; R105-E274 IonicContact CZ-OE1 2.64Å; R105-E274 IonicContact CZ-OE2 3.59Å; R105-E274 VanDerWaalsContact NH1-CD 3.29Å; R105-E274 IonicContact NH1-OE1 2.79Å; R105-E274 PolarHBondContact NH1-OE1 3.16Å; R105-E274 IonicContact NH1-OE2 2.73Å; R105-E274 VanDerWaalsContact NH2-CD 3.3Å; R105-E274 IonicContact NH2-OE1 3.18Å; R105-E274 PolarHBondContact NH2-OE1 3.26Å; R105-E274 IonicContact NH2-OE2 3.28Å; R105-E274 PolarHBondContact NH2-OE2 3.12Å
106	K	97.5	Very high	93.1	Very high	71 Å²	71	76.7 Å²	76.7	31%	0.309	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-90.1	148	-177.3	-51.1	-53.2	-173.4	-177.4	0	111.7	L92 E93 M108 P133 L134 T135	L92-K106 CarbonylContact C-O 3.5Å; L92-K106 WeakPolarHBondContact CA-O 3.37Å; E93-K106 HydrophobicContact CB-CB 4.36Å; E93-K106 WeakPolarHBondContact CB-O 3.43Å; E93-K106 PolarHBondContact N-O 3.06Å; K106-M108 HydrophobicContact CB-SD 4.38Å; K106-P133 HydrophobicContact CB-CB 3.67Å; K106-P133 WeakPolarHBondContact CD-O 3.32Å; K106-P133 HydrophobicContact CG-CB 4.22Å; K106-L134 CarbonylContact C-O 3.48Å; K106-L134 VanDerWaalsContact CA-O 3.3Å; K106-L134 WeakPolarHBondContact CA-O 3.37Å; K106-T135 HydrophobicContact CD-CG2 3.8Å
107	V	98.5	Very high	93.8	Very high	3 Å²	3	74.9 Å²	74.9	2%	0.018	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	126.7	171.8	179.4	0	0	0	0	108.9	I90 L92 I127 L134 V136 I275	I90-V107 HydrophobicContact CB-CG1 3.98Å; I90-V107 HydrophobicContact CD1-CG1 3.82Å; I90-V107 HydrophobicContact CG1-CG1 4.35Å; I90-V107 HydrophobicContact CG2-CG1 4.35Å; L92-V107 HydrophobicContact CD2-CG2 4.37Å; V107-I127 HydrophobicContact CG1-CD1 4.44Å; V107-I127 HydrophobicContact CG1-CG2 4.15Å; V107-L134 PolarHBondContact N-O 2.98Å; V107-V136 HydrophobicContact CG2-CG2 3.63Å; V107-I275 HydrophobicContact CB-CD1 4.47Å; V107-I275 HydrophobicContact CG1-CD1 4.11Å; V107-I275 HydrophobicContact CG2-CD1 3.96Å
108	M	98	Very high	94.7	Very high	68 Å²	68	71.2 Å²	71.2	34%	0.335	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.8	-178.3	-56.3	-56.6	-62.7	0	0	110.2	I90 Q91 E93 K106 K110 P133	I90-M108 CarbonylContact C-O 3.53Å; I90-M108 VanDerWaalsContact CA-O 3.27Å; I90-M108 WeakPolarHBondContact CA-O 3.36Å; Q91-M108 HydrophobicContact CG-CB 4.26Å; Q91-M108 PolarHBondContact N-O 3.22Å; Q91-M108 PolarHBondContact O-N 2.92Å; E93-M108 HydrophobicContact CB-CG 4.35Å; K106-M108 HydrophobicContact CB-SD 4.38Å; M108-K110 PolarHBondContact O-N 3.06Å; M108-P133 HydrophobicContact CE-CG 3.88Å; M108-P133 HydrophobicContact SD-CB 3.61Å; M108-P133 HydrophobicContact SD-CG 3.58Å; M108-P133 VanDerWaalsContact SD-CG 3.58Å
109	V	98.2	Very high	95.7	Very high	49 Å²	49	60.6 Å²	60.6	30%	0.297	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	125.9	171.4	-178.8	0	0	0	0	109.2	D112 L124 I127 K128	V109-D112 HydrophobicContact CG1-CB 4.41Å; V109-L124 HydrophobicContact CG1-CD1 4.33Å; V109-L124 HydrophobicContact CG2-CD1 4.42Å; V109-I127 HydrophobicContact CG2-CB 4.38Å; V109-I127 HydrophobicContact CG2-CG2 3.73Å; V109-K128 HydrophobicContact CG2-CB 4.1Å
110	K	97.7	Very high	96.4	Very high	137 Å²	137	50.8 Å²	50.8	60%	0.596	30%	0.303	S	S	*	.	S	Bend	trans	-94.5	-40.8	171.1	-176.3	-179.8	179.9	-178.6	0	111	R89 Q91 M108	R89-K110 PolarHBondContact O-N 2.74Å; Q91-K110 HydrophobicContact CG-CB 4.21Å; M108-K110 PolarHBondContact O-N 3.06Å
111	S	98.1	Very high	96.9	Very high	42 Å²	42	49.1 Å²	49.1	29%	0.294	30%	0.298	S	S	.	.			trans	-147.6	137.3	176.8	174.3	0	0	0	0	109.9	R89 A113	R89-S111 WeakPolarHBondContact CA-O 3.34Å; R89-S111 WeakPolarHBondContact CD-O 3.48Å; R89-S111 PolarHBondContact O-N 3.45Å; R89-S111 VanDerWaalsContact O-N 3.07Å; S111-A113 PolarHBondContact OG-N 2.61Å
112	D	96.3	Very high	97.1	Very high	93 Å²	93	50.2 Å²	50.2	50%	0.497	30%	0.297	S	S	.	.			trans	-100	9.8	178.4	69.1	-18.7	0	0	0	113.4	V109 A114 K128	V109-D112 HydrophobicContact CG1-CB 4.41Å; D112-A114 PolarHBondContact O-N 2.67Å; D112-K128 HydrophobicContact CB-CD 4.05Å; D112-K128 IonicContact OD2-NZ 2.77Å; D112-K128 PolarHBondContact OD2-NZ 3.2Å
113	A	97.9	Very high	97.3	Very high	43 Å²	43	50.2 Å²	50.2	36%	0.355	30%	0.297	S	S	.	.			trans	-58.5	137.2	175.5	0	0	0	0	0	110.7	R89 S111	R89-A113 WeakPolarHBondContact CD-O 3.43Å; R89-A113 PolarHBondContact NE-O 2.98Å; S111-A113 PolarHBondContact OG-N 2.61Å
114	A	97.3	Very high	97.5	Very high	73 Å²	73	48.1 Å²	48.1	60%	0.603	28%	0.282	S	S	*	.			trans	-56.8	146.4	176.6	0	0	0	0	0	111.1	R89 D112	R89-A114 PolarHBondContact NH2-O 2.9Å; D112-A114 PolarHBondContact O-N 2.67Å
115	T	96.4	Very high	97.6	Very high	23 Å²	23	48.9 Å²	48.9	14%	0.141	28%	0.281	C	S	.	.			trans	-98	-16.3	178.6	66.9	0	0	0	0	112.3	L84 R87 R89 D117 L120 D121	L84-T115 HydrophobicContact CD2-CG2 4.01Å; R87-T115 PolarHBondContact NH1-O 3.27Å; R89-T115 HydrophobicContact CG-CG2 3.9Å; T115-D117 PolarHBondContact OG1-N 3.2Å; T115-D117 PolarHBondContact OG1-O 3.13Å; T115-L120 HydrophobicContact CG2-CB 4.26Å; T115-L120 WeakPolarHBondContact OG1-CB 3.45Å; T115-D121 VanDerWaalsContact CB-OD1 3.32Å; T115-D121 WeakPolarHBondContact CB-OD1 3.41Å; T115-D121 WeakPolarHBondContact CG2-OD1 3.36Å; T115-D121 PolarHBondContact N-OD1 3.36Å; T115-D121 PolarHBondContact OG1-OD1 3.46Å
116	G	94.9	Very high	97.7	Very high	73 Å²	73	50.3 Å²	50.3	75%	0.753	29%	0.287	S	S	*	.	S	Bend	trans	82.3	-2.8	-173.9	0	0	0	0	0	113.7	D121	G116-D121 PolarHBondContact N-OD2 3.05Å
117	D	97	Very high	97.7	Very high	9 Å²	9	47.3 Å²	47.3	5%	0.048	28%	0.275	C	S	.	.			trans	-107.5	123.1	172.6	-174.7	-59.6	0	0	0	109.6	T115 I119 L120 D121 N167	T115-D117 PolarHBondContact OG1-N 3.2Å; T115-D117 PolarHBondContact OG1-O 3.13Å; D117-I119 VanDerWaalsContact C-N 3.26Å; D117-I119 PolarHBondContact O-N 2.94Å; D117-I119 WeakPolarHBondContact OD1-CA 3.36Å; D117-I119 WeakPolarHBondContact OD1-CB 3.25Å; D117-I119 PolarHBondContact OD1-N 3.23Å; D117-L120 HydrophobicContact CB-CB 4.06Å; D117-L120 HydrophobicContact CB-CD1 3.79Å; D117-L120 HydrophobicContact CB-CG 3.84Å; D117-L120 PolarHBondContact O-N 3.3Å; D117-L120 PolarHBondContact OD1-N 3.44Å; D117-D121 WeakPolarHBondContact O-CB 3.49Å; D117-D121 VanDerWaalsContact O-CG 3.23Å; D117-D121 PolarHBondContact O-N 3.02Å; D117-N167 PolarHBondContact OD2-ND2 3.02Å
118	I	96.5	Very high	97.7	Very high	107 Å²	107	53 Å²	53	55%	0.549	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-36	-173.7	-50.3	176	0	0	0	111.3	E122 R163	I118-E122 VanDerWaalsContact O-CB 3.3Å; I118-E122 WeakPolarHBondContact O-CB 3.35Å; I118-E122 PolarHBondContact O-N 3.11Å; I118-E122 VanDerWaalsContact O-N 3.09Å; I118-R163 VanDerWaalsContact CG2-NH2 3.33Å; I118-R163 PolarHBondContact O-NH2 3Å; I118-R163 VanDerWaalsContact O-NH2 3.09Å
119	I	98.2	Very high	97.6	Very high	2 Å²	2	57 Å²	57	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-71.2	-46.1	-178.9	-61.4	172	0	0	0	109.7	M50 V80 D117 E122 A123 L157 V160 R163 L164	M50-I119 HydrophobicContact SD-CG2 4.23Å; V80-I119 HydrophobicContact CG2-CG2 3.92Å; D117-I119 VanDerWaalsContact C-N 3.26Å; D117-I119 PolarHBondContact O-N 2.94Å; D117-I119 WeakPolarHBondContact OD1-CA 3.36Å; D117-I119 WeakPolarHBondContact OD1-CB 3.25Å; D117-I119 PolarHBondContact OD1-N 3.23Å; I119-E122 PolarHBondContact O-N 3.27Å; I119-A123 PolarHBondContact O-N 3.36Å; I119-L157 HydrophobicContact CG2-CD1 3.91Å; I119-V160 HydrophobicContact CD1-CG1 4.26Å; I119-R163 VanDerWaalsContact CA-NH2 3.34Å; I119-R163 HydrophobicContact CD1-CB 3.87Å; I119-R163 HydrophobicContact CG1-CB 4.23Å; I119-L164 HydrophobicContact CD1-CD2 3.7Å; I119-L164 HydrophobicContact CD1-CG 3.79Å
120	L	98.5	Very high	97.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-42.9	177.8	-61.2	-177.4	0	0	0	111.6	M50 V80 E83 L84 T115 D117 A123 L124	M50-L120 HydrophobicContact CE-CD1 4.36Å; M50-L120 HydrophobicContact CE-CD2 3.63Å; M50-L120 HydrophobicContact CE-CG 3.96Å; M50-L120 HydrophobicContact SD-CD2 3.87Å; V80-L120 HydrophobicContact CB-CD2 4.33Å; V80-L120 HydrophobicContact CG1-CD2 4.05Å; V80-L120 HydrophobicContact CG2-CD2 4.43Å; E83-L120 HydrophobicContact CB-CD1 4.44Å; E83-L120 HydrophobicContact CB-CD2 4.02Å; E83-L120 HydrophobicContact CG-CD1 3.56Å; E83-L120 HydrophobicContact CG-CD2 3.98Å; E83-L120 HydrophobicContact CG-CG 4.42Å; L84-L120 HydrophobicContact CD2-CB 4.03Å; L84-L120 HydrophobicContact CG-CD2 4.26Å; T115-L120 HydrophobicContact CG2-CB 4.26Å; T115-L120 WeakPolarHBondContact OG1-CB 3.45Å; D117-L120 HydrophobicContact CB-CB 4.06Å; D117-L120 HydrophobicContact CB-CD1 3.79Å; D117-L120 HydrophobicContact CB-CG 3.84Å; D117-L120 PolarHBondContact O-N 3.3Å; D117-L120 PolarHBondContact OD1-N 3.44Å; L120-A123 PolarHBondContact O-N 2.87Å; L120-L124 VanDerWaalsContact O-CB 3.31Å; L120-L124 WeakPolarHBondContact O-CB 3.31Å; L120-L124 PolarHBondContact O-N 3.19Å
121	D	98.4	Very high	97.4	Very high	46 Å²	46	55.7 Å²	55.7	25%	0.246	31%	0.313	C	S	.	.	H	α-helix	trans	-68.5	-35.4	-178.6	-70	-15.6	0	0	0	112	T115 G116 D117 K125	T115-D121 VanDerWaalsContact CB-OD1 3.32Å; T115-D121 WeakPolarHBondContact CB-OD1 3.41Å; T115-D121 WeakPolarHBondContact CG2-OD1 3.36Å; T115-D121 PolarHBondContact N-OD1 3.36Å; T115-D121 PolarHBondContact OG1-OD1 3.46Å; G116-D121 PolarHBondContact N-OD2 3.05Å; D117-D121 WeakPolarHBondContact O-CB 3.49Å; D117-D121 VanDerWaalsContact O-CG 3.23Å; D117-D121 PolarHBondContact O-N 3.02Å; D121-K125 VanDerWaalsContact O-CB 3.31Å; D121-K125 WeakPolarHBondContact O-CB 3.48Å; D121-K125 PolarHBondContact O-N 3.4Å
122	E	98.3	Very high	97.2	Very high	59 Å²	59	58.1 Å²	58.1	28%	0.276	33%	0.328	S	S	.	.	H	α-helix	trans	-66.1	-46.3	172.9	-174.6	177	176.5	0	0	111.9	I118 I119 K125 H126 L157 R163	I118-E122 VanDerWaalsContact O-CB 3.3Å; I118-E122 WeakPolarHBondContact O-CB 3.35Å; I118-E122 PolarHBondContact O-N 3.11Å; I118-E122 VanDerWaalsContact O-N 3.09Å; I119-E122 PolarHBondContact O-N 3.27Å; E122-K125 WeakPolarHBondContact O-CB 3.36Å; E122-K125 PolarHBondContact O-N 2.92Å; E122-H126 PolarHBondContact O-CD2 2.97Å; E122-H126 PolarHBondContact O-N 3.18Å; E122-L157 HydrophobicContact CB-CD2 4.11Å; E122-L157 HydrophobicContact CG-CD2 3.73Å; E122-R163 IonicContact OE2-CZ 2.79Å; E122-R163 IonicContact OE2-NH1 2.74Å; E122-R163 PolarHBondContact OE2-NH1 3.24Å; E122-R163 IonicContact OE2-NH2 2.9Å; E122-R163 PolarHBondContact OE2-NH2 3.49Å
123	A	98.5	Very high	97.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.3	-45.1	175.5	0	0	0	0	0	111.6	V80 L84 I119 L120 K125 H126 I127 L143 L157	V80-A123 HydrophobicContact CG1-CB 3.49Å; V80-A123 VanDerWaalsContact CG1-CB 3.49Å; L84-A123 HydrophobicContact CD1-CB 4.22Å; I119-A123 PolarHBondContact O-N 3.36Å; L120-A123 PolarHBondContact O-N 2.87Å; A123-K125 VanDerWaalsContact C-N 3.3Å; A123-K125 PolarHBondContact O-N 3.06Å; A123-H126 WeakPolarHBondContact O-CB 3.33Å; A123-H126 PolarHBondContact O-N 3.29Å; A123-H126 VanDerWaalsContact O-N 3.11Å; A123-I127 WeakPolarHBondContact O-CG1 3.37Å; A123-I127 PolarHBondContact O-N 3.1Å; A123-L143 HydrophobicContact CB-CD1 4.35Å; A123-L143 HydrophobicContact CB-CD2 4.3Å; A123-L157 HydrophobicContact CB-CD1 4.29Å; A123-L157 HydrophobicContact CB-CD2 4.47Å
124	L	98.6	Very high	97.2	Very high	6 Å²	6	54.6 Å²	54.6	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-60.8	-39.8	177.2	-175.7	58.6	0	0	0	111.8	L84 R89 I90 V109 L120 H126 I127 K128	L84-L124 HydrophobicContact CD1-CB 4.43Å; L84-L124 HydrophobicContact CD2-CB 4.17Å; L84-L124 HydrophobicContact CD2-CD2 4.46Å; R89-L124 HydrophobicContact CB-CD1 4.06Å; R89-L124 HydrophobicContact CB-CD2 4.13Å; R89-L124 HydrophobicContact CG-CD2 4.18Å; I90-L124 HydrophobicContact CG2-CD1 3.9Å; V109-L124 HydrophobicContact CG1-CD1 4.33Å; V109-L124 HydrophobicContact CG2-CD1 4.42Å; L120-L124 VanDerWaalsContact O-CB 3.31Å; L120-L124 WeakPolarHBondContact O-CB 3.31Å; L120-L124 PolarHBondContact O-N 3.19Å; L124-H126 VanDerWaalsContact C-N 3.34Å; L124-H126 PolarHBondContact O-N 3.04Å; L124-I127 PolarHBondContact O-N 3.49Å; L124-K128 WeakPolarHBondContact O-CB 3.48Å; L124-K128 PolarHBondContact O-N 3.33Å
125	K	98.2	Very high	97.3	Very high	122 Å²	122	52.1 Å²	52.1	53%	0.53	28%	0.282	S	S	.	.	H	α-helix	trans	-63	-39.3	174.3	179.5	-178.7	179.1	-179.3	0	112.2	D121 E122 A123 K129	D121-K125 VanDerWaalsContact O-CB 3.31Å; D121-K125 WeakPolarHBondContact O-CB 3.48Å; D121-K125 PolarHBondContact O-N 3.4Å; E122-K125 WeakPolarHBondContact O-CB 3.36Å; E122-K125 PolarHBondContact O-N 2.92Å; A123-K125 VanDerWaalsContact C-N 3.3Å; A123-K125 PolarHBondContact O-N 3.06Å; K125-K129 HydrophobicContact CG-CD 4.37Å; K125-K129 WeakPolarHBondContact O-CB 3.38Å; K125-K129 WeakPolarHBondContact O-CG 3.41Å; K125-K129 PolarHBondContact O-N 3.01Å
126	H	98.1	Very high	97.4	Very high	30 Å²	30	51.1 Å²	51.1	14%	0.139	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-50.5	173.1	-72.7	-41.3	0	0	0	111.1	E122 A123 L124 K128 K129 T130 W139 R154 Y155	E122-H126 PolarHBondContact O-CD2 2.97Å; E122-H126 PolarHBondContact O-N 3.18Å; A123-H126 WeakPolarHBondContact O-CB 3.33Å; A123-H126 PolarHBondContact O-N 3.29Å; A123-H126 VanDerWaalsContact O-N 3.11Å; L124-H126 VanDerWaalsContact C-N 3.34Å; L124-H126 PolarHBondContact O-N 3.04Å; H126-K128 VanDerWaalsContact C-N 3.33Å; H126-K128 PolarHBondContact O-N 3.45Å; H126-K129 PolarHBondContact O-N 3.23Å; H126-K129 VanDerWaalsContact O-N 3.12Å; H126-T130 PolarHBondContact O-N 3.42Å; H126-T130 VanDerWaalsContact O-N 3.16Å; H126-T130 PolarHBondContact O-OG1 3.31Å; H126-W139 HydrophobicContact CB-CH2 4.38Å; H126-W139 HydrophobicContact CB-CZ3 4.07Å; H126-R154 PolarHBondContact CE1-O 2.99Å; H126-Y155 HydrophobicContact CB-CD1 3.8Å; H126-Y155 HydrophobicContact CB-CE1 4.28Å; H126-Y155 AromaticContact CG-CD1 3.72Å; H126-Y155 AromaticContact ND1-CD1 3.65Å
127	I	98.2	Very high	97.5	Very high	9 Å²	9	53.4 Å²	53.4	5%	0.046	27%	0.267	C	S	.	.	H	α-helix	trans	-57.3	-45.6	180	-61.1	166.4	0	0	0	111.4	L81 L84 I90 V107 V109 A123 L124 K129 T130 W139	L81-I127 HydrophobicContact CD2-CD1 4.09Å; L84-I127 HydrophobicContact CD1-CD1 4.14Å; I90-I127 HydrophobicContact CD1-CD1 4.35Å; I90-I127 HydrophobicContact CG2-CD1 4.09Å; I90-I127 HydrophobicContact CG2-CG2 4.44Å; V107-I127 HydrophobicContact CG1-CD1 4.44Å; V107-I127 HydrophobicContact CG1-CG2 4.15Å; V109-I127 HydrophobicContact CG2-CB 4.38Å; V109-I127 HydrophobicContact CG2-CG2 3.73Å; A123-I127 WeakPolarHBondContact O-CG1 3.37Å; A123-I127 PolarHBondContact O-N 3.1Å; L124-I127 PolarHBondContact O-N 3.49Å; I127-K129 VanDerWaalsContact C-N 3.32Å; I127-K129 PolarHBondContact O-N 3.27Å; I127-T130 PolarHBondContact O-N 3.46Å; I127-W139 VanDerWaalsContact CA-CH2 3.43Å; I127-W139 HydrophobicContact CB-CH2 4.17Å; I127-W139 HydrophobicContact CB-CZ2 3.95Å; I127-W139 HydrophobicContact CG1-CD2 3.96Å; I127-W139 HydrophobicContact CG1-CE3 4.09Å; I127-W139 HydrophobicContact CG1-CH2 3.81Å; I127-W139 HydrophobicContact CG1-CZ2 3.67Å; I127-W139 HydrophobicContact CG1-CZ3 4.01Å; I127-W139 HydrophobicContact CG2-CZ2 4.1Å
128	K	97.5	Very high	97.4	Very high	122 Å²	122	53.7 Å²	53.7	53%	0.53	27%	0.271	S	S	.	.	H	α-helix	trans	-60.5	-37.2	178.1	-179.6	176.9	176.4	176.6	0	113.6	V109 D112 L124 H126	V109-K128 HydrophobicContact CG2-CB 4.1Å; D112-K128 HydrophobicContact CB-CD 4.05Å; D112-K128 IonicContact OD2-NZ 2.77Å; D112-K128 PolarHBondContact OD2-NZ 3.2Å; L124-K128 WeakPolarHBondContact O-CB 3.48Å; L124-K128 PolarHBondContact O-N 3.33Å; H126-K128 VanDerWaalsContact C-N 3.33Å; H126-K128 PolarHBondContact O-N 3.45Å
129	K	96.6	Very high	97.5	Very high	152 Å²	152	48.7 Å²	48.7	66%	0.661	25%	0.245	S	C	*	.	H	α-helix	trans	-86.3	-12	-175.1	-72.5	-175.8	177.5	-161.6	0	113.6	K125 H126 I127	K125-K129 HydrophobicContact CG-CD 4.37Å; K125-K129 WeakPolarHBondContact O-CB 3.38Å; K125-K129 WeakPolarHBondContact O-CG 3.41Å; K125-K129 PolarHBondContact O-N 3.01Å; H126-K129 PolarHBondContact O-N 3.23Å; H126-K129 VanDerWaalsContact O-N 3.12Å; I127-K129 VanDerWaalsContact C-N 3.32Å; I127-K129 PolarHBondContact O-N 3.27Å
130	T	96.7	Very high	97.5	Very high	12 Å²	12	49.1 Å²	49.1	7%	0.074	25%	0.248	C	C	.	.			trans	-87.4	121.2	-175.2	-66.4	0	0	0	0	111	H126 I127 L134 W139 Y155	H126-T130 PolarHBondContact O-N 3.42Å; H126-T130 VanDerWaalsContact O-N 3.16Å; H126-T130 PolarHBondContact O-OG1 3.31Å; I127-T130 PolarHBondContact O-N 3.46Å; T130-L134 HydrophobicContact CG2-CD1 3.82Å; T130-L134 HydrophobicContact CG2-CG 3.83Å; T130-W139 HydrophobicContact CG2-CH2 4.12Å; T130-W139 HydrophobicContact CG2-CZ2 4.09Å; T130-W139 WeakPolarHBondContact OG1-CH2 3.23Å; T130-Y155 VanDerWaalsContact OG1-CE1 3.22Å; T130-Y155 WeakPolarHBondContact OG1-CE1 3.15Å; T130-Y155 VanDerWaalsContact OG1-CZ 3.3Å; T130-Y155 PolarHBondContact OG1-OH 2.58Å
131	D	94.7	Very high	97.3	Very high	146 Å²	146	52.5 Å²	52.5	78%	0.781	26%	0.263	S	S	*	.	S	Bend	trans	-133.9	126.7	173.3	-173.2	32.5	0	0	0	108
132	P	95.4	Very high	97.3	Very high	94 Å²	94	52 Å²	52	61%	0.61	26%	0.258	S	S	*	.	S	Bend	cis	-71.4	157.7	-1.8	31.5	-36.5	0	0	0	114
133	P	97	Very high	97.2	Very high	41 Å²	41	49.2 Å²	49.2	27%	0.266	25%	0.245	S	C	.	.			trans	-56.1	145.3	174.3	-27.1	35.9	0	0	0	113.8	K106 M108	K106-P133 HydrophobicContact CB-CB 3.67Å; K106-P133 WeakPolarHBondContact CD-O 3.32Å; K106-P133 HydrophobicContact CG-CB 4.22Å; M108-P133 HydrophobicContact CE-CG 3.88Å; M108-P133 HydrophobicContact SD-CB 3.61Å; M108-P133 HydrophobicContact SD-CG 3.58Å; M108-P133 VanDerWaalsContact SD-CG 3.58Å
134	L	97.4	Very high	97.1	Very high	21 Å²	21	49.6 Å²	49.6	11%	0.11	25%	0.248	C	C	.	.			trans	-107.9	159.3	-175.8	-55.8	175.3	0	0	0	112.4	K106 V107 T130 A138 W139 Y142	K106-L134 CarbonylContact C-O 3.48Å; K106-L134 VanDerWaalsContact CA-O 3.3Å; K106-L134 WeakPolarHBondContact CA-O 3.37Å; V107-L134 PolarHBondContact N-O 2.98Å; T130-L134 HydrophobicContact CG2-CD1 3.82Å; T130-L134 HydrophobicContact CG2-CG 3.83Å; L134-A138 HydrophobicContact CB-CB 4.1Å; L134-W139 HydrophobicContact CB-CD2 4.45Å; L134-W139 HydrophobicContact CB-CG 4.48Å; L134-W139 HydrophobicContact CB-CZ2 4.32Å; L134-W139 HydrophobicContact CD1-CD2 4.33Å; L134-W139 HydrophobicContact CD1-CH2 4.19Å; L134-W139 HydrophobicContact CD1-CZ2 3.97Å; L134-W139 HydrophobicContact CD1-CZ3 4.46Å; L134-W139 HydrophobicContact CG-CZ2 4.3Å; L134-Y142 HydrophobicContact CD1-CD2 3.52Å; L134-Y142 HydrophobicContact CD1-CE2 3.43Å; L134-Y142 VanDerWaalsContact CD1-CE2 3.43Å; L134-Y142 HydrophobicContact CD2-CE2 4.43Å
135	T	97.9	Very high	96.8	Very high	20 Å²	20	50.4 Å²	50.4	12%	0.123	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-74.3	166.9	173.8	57.3	0	0	0	0	111.1	S103 K106 A138 W139	S103-T135 WeakPolarHBondContact O-CB 3.42Å; S103-T135 VanDerWaalsContact O-CG2 3.31Å; S103-T135 WeakPolarHBondContact O-CG2 3.31Å; K106-T135 HydrophobicContact CD-CG2 3.8Å; T135-A138 PolarHBondContact O-N 3.37Å; T135-A138 PolarHBondContact OG1-N 3.19Å; T135-W139 PolarHBondContact O-N 2.86Å
136	V	98.3	Very high	96.4	Very high	2 Å²	2	49 Å²	49	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-57.9	-47.6	174.8	170.5	0	0	0	0	111.6	L81 L92 V107 A138 W139 I140 A278 V279 A282	L81-V136 HydrophobicContact CD1-CG1 3.98Å; L92-V136 HydrophobicContact CD2-CG2 4.02Å; V107-V136 HydrophobicContact CG2-CG2 3.63Å; V136-A138 VanDerWaalsContact C-N 3.34Å; V136-A138 PolarHBondContact O-N 3.12Å; V136-W139 WeakPolarHBondContact O-CB 3.44Å; V136-W139 PolarHBondContact O-N 3.32Å; V136-W139 VanDerWaalsContact O-N 3.09Å; V136-I140 HydrophobicContact CG1-CD1 3.87Å; V136-I140 HydrophobicContact CG1-CG1 4.46Å; V136-I140 WeakPolarHBondContact O-CG1 3.21Å; V136-I140 PolarHBondContact O-N 3.01Å; V136-A278 HydrophobicContact CB-CB 4.42Å; V136-A278 HydrophobicContact CG2-CB 3.79Å; V136-V279 HydrophobicContact CG1-CB 4.3Å; V136-V279 HydrophobicContact CG1-CG2 3.59Å; V136-A282 HydrophobicContact CG1-CB 4.15Å
137	Q	97	Very high	96	Very high	121 Å²	121	48 Å²	48	57%	0.565	25%	0.249	S	C	*	.	H	α-helix	trans	-56.9	-46	178.3	-172.2	178.3	14	0	0	112.2	W139 I140 E141	Q137-W139 VanDerWaalsContact C-N 3.3Å; Q137-W139 PolarHBondContact O-N 3.21Å; Q137-I140 PolarHBondContact O-N 2.71Å; Q137-E141 PolarHBondContact O-N 3.4Å
138	A	96.8	Very high	95.5	Very high	16 Å²	16	59.4 Å²	59.4	13%	0.132	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-35.1	177.8	0	0	0	0	0	112.4	L134 T135 V136 Y142	L134-A138 HydrophobicContact CB-CB 4.1Å; T135-A138 PolarHBondContact O-N 3.37Å; T135-A138 PolarHBondContact OG1-N 3.19Å; V136-A138 VanDerWaalsContact C-N 3.34Å; V136-A138 PolarHBondContact O-N 3.12Å; A138-Y142 VanDerWaalsContact O-CB 3.27Å; A138-Y142 WeakPolarHBondContact O-CB 3.03Å; A138-Y142 WeakPolarHBondContact O-CD1 3.41Å; A138-Y142 PolarHBondContact O-N 3.41Å
139	W	98.1	Very high	95.2	Very high	1 Å²	1	56.9 Å²	56.9	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-66.8	-42.7	174	-81.4	118.8	0	0	0	112.4	L81 H126 I127 T130 L134 T135 V136 Q137 Y142 L143 Y155	L81-W139 HydrophobicContact CD1-CB 3.92Å; L81-W139 HydrophobicContact CD2-CB 4.24Å; H126-W139 HydrophobicContact CB-CH2 4.38Å; H126-W139 HydrophobicContact CB-CZ3 4.07Å; I127-W139 VanDerWaalsContact CA-CH2 3.43Å; I127-W139 HydrophobicContact CB-CH2 4.17Å; I127-W139 HydrophobicContact CB-CZ2 3.95Å; I127-W139 HydrophobicContact CG1-CD2 3.96Å; I127-W139 HydrophobicContact CG1-CE3 4.09Å; I127-W139 HydrophobicContact CG1-CH2 3.81Å; I127-W139 HydrophobicContact CG1-CZ2 3.67Å; I127-W139 HydrophobicContact CG1-CZ3 4.01Å; I127-W139 HydrophobicContact CG2-CZ2 4.1Å; T130-W139 HydrophobicContact CG2-CH2 4.12Å; T130-W139 HydrophobicContact CG2-CZ2 4.09Å; T130-W139 WeakPolarHBondContact OG1-CH2 3.23Å; L134-W139 HydrophobicContact CB-CD2 4.45Å; L134-W139 HydrophobicContact CB-CG 4.48Å; L134-W139 HydrophobicContact CB-CZ2 4.32Å; L134-W139 HydrophobicContact CD1-CD2 4.33Å; L134-W139 HydrophobicContact CD1-CH2 4.19Å; L134-W139 HydrophobicContact CD1-CZ2 3.97Å; L134-W139 HydrophobicContact CD1-CZ3 4.46Å; L134-W139 HydrophobicContact CG-CZ2 4.3Å; T135-W139 PolarHBondContact O-N 2.86Å; V136-W139 WeakPolarHBondContact O-CB 3.44Å; V136-W139 PolarHBondContact O-N 3.32Å; V136-W139 VanDerWaalsContact O-N 3.09Å; Q137-W139 VanDerWaalsContact C-N 3.3Å; Q137-W139 PolarHBondContact O-N 3.21Å; W139-Y142 PolarHBondContact O-N 2.76Å; W139-L143 HydrophobicContact CE3-CD1 4.5Å; W139-L143 HydrophobicContact CE3-CD2 4.4Å; W139-L143 HydrophobicContact CE3-CG 4.23Å; W139-L143 VanDerWaalsContact O-CB 3.24Å; W139-L143 WeakPolarHBondContact O-CB 3.4Å; W139-L143 WeakPolarHBondContact O-CG 3.42Å; W139-L143 PolarHBondContact O-N 3.48Å; W139-Y155 HydrophobicContact CZ3-CD1 4.36Å
140	I	97.4	Very high	94.8	Very high	12 Å²	12	55 Å²	55	6%	0.062	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-51.9	176.5	-65.9	167.7	0	0	0	109.5	P74 R77 L81 V136 Q137 Y142 L143 S144 A282 F283	P74-I140 HydrophobicContact CB-CG2 3.84Å; R77-I140 HydrophobicContact CB-CG2 4.38Å; L81-I140 HydrophobicContact CD1-CD1 4.48Å; L81-I140 HydrophobicContact CD1-CG1 3.81Å; V136-I140 HydrophobicContact CG1-CD1 3.87Å; V136-I140 HydrophobicContact CG1-CG1 4.46Å; V136-I140 WeakPolarHBondContact O-CG1 3.21Å; V136-I140 PolarHBondContact O-N 3.01Å; Q137-I140 PolarHBondContact O-N 2.71Å; I140-Y142 VanDerWaalsContact C-N 3.35Å; I140-Y142 PolarHBondContact O-N 2.76Å; I140-L143 PolarHBondContact O-N 3.09Å; I140-S144 VanDerWaalsContact O-CB 3.29Å; I140-S144 WeakPolarHBondContact O-CB 3.39Å; I140-S144 PolarHBondContact O-N 2.86Å; I140-S144 PolarHBondContact O-OG 2.79Å; I140-A282 HydrophobicContact CD1-CB 4.11Å; I140-F283 HydrophobicContact CD1-CD2 4.47Å; I140-F283 HydrophobicContact CD1-CE2 3.74Å; I140-F283 HydrophobicContact CD1-CZ 4.06Å; I140-F283 HydrophobicContact CG2-CZ 4.21Å
141	E	95.4	Very high	94.5	Very high	71 Å²	71	61.1 Å²	61.1	33%	0.332	32%	0.316	S	S	.	.	H	α-helix	trans	-55.8	-47.2	178.4	-173.2	-168.4	158.3	0	0	111.9	Q137 S144 G145 E146 S147	Q137-E141 PolarHBondContact O-N 3.4Å; E141-S144 PolarHBondContact O-N 3.47Å; E141-G145 PolarHBondContact O-N 3.25Å; E141-E146 HydrophobicContact CG-CB 3.82Å; E141-E146 PolarHBondContact O-N 3.42Å; E141-S147 VanDerWaalsContact OE1-CA 3.31Å; E141-S147 WeakPolarHBondContact OE1-CA 3.44Å; E141-S147 VanDerWaalsContact OE1-CB 3.29Å; E141-S147 WeakPolarHBondContact OE1-CB 3.22Å
142	Y	96.9	Very high	94.3	Very high	36 Å²	36	56.3 Å²	56.3	14%	0.141	29%	0.289	C	S	.	.	H	α-helix	trans	-73.5	-39	-175.1	-68.6	1.2	0	0	0	112.8	L134 A138 W139 I140 S144 G145 K152 Y155 Q156	L134-Y142 HydrophobicContact CD1-CD2 3.52Å; L134-Y142 HydrophobicContact CD1-CE2 3.43Å; L134-Y142 VanDerWaalsContact CD1-CE2 3.43Å; L134-Y142 HydrophobicContact CD2-CE2 4.43Å; A138-Y142 VanDerWaalsContact O-CB 3.27Å; A138-Y142 WeakPolarHBondContact O-CB 3.03Å; A138-Y142 WeakPolarHBondContact O-CD1 3.41Å; A138-Y142 PolarHBondContact O-N 3.41Å; W139-Y142 PolarHBondContact O-N 2.76Å; I140-Y142 VanDerWaalsContact C-N 3.35Å; I140-Y142 PolarHBondContact O-N 2.76Å; Y142-S144 VanDerWaalsContact C-N 3.31Å; Y142-G145 PolarHBondContact O-N 3.06Å; Y142-K152 HydrophobicContact CD1-CB 4.28Å; Y142-K152 HydrophobicContact CD2-CB 4.34Å; Y142-K152 HydrophobicContact CD2-CD 4.11Å; Y142-K152 HydrophobicContact CD2-CG 4.43Å; Y142-K152 HydrophobicContact CE1-CB 4.24Å; Y142-K152 HydrophobicContact CE1-CG 4.2Å; Y142-K152 HydrophobicContact CE2-CB 4.28Å; Y142-K152 HydrophobicContact CE2-CD 3.54Å; Y142-K152 HydrophobicContact CE2-CG 3.9Å; Y142-K152 HydrophobicContact CG-CB 4.34Å; Y142-Y155 AromaticContact CD2-CD2 3.99Å; Y142-Y155 HydrophobicContact CD2-CD2 3.99Å; Y142-Y155 HydrophobicContact CD2-CE2 4.45Å; Y142-Y155 HydrophobicContact CG-CD2 4.46Å; Y142-Y155 CarbonylContact O-C 3.52Å; Y142-Q156 WeakPolarHBondContact O-CA 3.39Å; Y142-Q156 PolarHBondContact O-N 2.9Å
143	L	97.5	Very high	94.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-72.9	-25.9	177.5	-65.3	174.1	0	0	0	111.8	R77 L81 A123 W139 I140 Y155 L157	R77-L143 HydrophobicContact CB-CB 4.29Å; R77-L143 HydrophobicContact CG-CB 3.42Å; R77-L143 VanDerWaalsContact CG-CB 3.42Å; R77-L143 PolarHBondContact NE-O 3.4Å; L81-L143 HydrophobicContact CD2-CD1 4.28Å; A123-L143 HydrophobicContact CB-CD1 4.35Å; A123-L143 HydrophobicContact CB-CD2 4.3Å; W139-L143 HydrophobicContact CE3-CD1 4.5Å; W139-L143 HydrophobicContact CE3-CD2 4.4Å; W139-L143 HydrophobicContact CE3-CG 4.23Å; W139-L143 VanDerWaalsContact O-CB 3.24Å; W139-L143 WeakPolarHBondContact O-CB 3.4Å; W139-L143 WeakPolarHBondContact O-CG 3.42Å; W139-L143 PolarHBondContact O-N 3.48Å; I140-L143 PolarHBondContact O-N 3.09Å; L143-Y155 WeakPolarHBondContact CD2-O 3.32Å; L143-L157 HydrophobicContact CB-CD1 4.18Å; L143-L157 HydrophobicContact CB-CG 4.25Å; L143-L157 HydrophobicContact CD2-CD1 4.1Å; L143-L157 HydrophobicContact CD2-CD2 4.2Å; L143-L157 HydrophobicContact CD2-CG 3.9Å; L143-L157 HydrophobicContact CG-CD1 4.49Å; L143-L157 PolarHBondContact O-N 2.91Å
144	S	94.8	Very high	93.9	Very high	8 Å²	8	61.5 Å²	61.5	6%	0.056	30%	0.297	C	S	.	.	H	α-helix	trans	-77.7	-27.8	171	-66.7	0	0	0	0	112.4	P74 I140 E141 Y142 E146 Q156	P74-S144 WeakPolarHBondContact CA-OG 3.25Å; I140-S144 VanDerWaalsContact O-CB 3.29Å; I140-S144 WeakPolarHBondContact O-CB 3.39Å; I140-S144 PolarHBondContact O-N 2.86Å; I140-S144 PolarHBondContact O-OG 2.79Å; E141-S144 PolarHBondContact O-N 3.47Å; Y142-S144 VanDerWaalsContact C-N 3.31Å; S144-E146 WeakPolarHBondContact CB-OE1 3.43Å; S144-Q156 PolarHBondContact O-NE2 2.91Å
145	G	93.2	Very high	93.8	Very high	22 Å²	22	61 Å²	61	23%	0.227	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	84	25.9	-175.5	0	0	0	0	0	113.3	E141 Y142 S147	E141-G145 PolarHBondContact O-N 3.25Å; Y142-G145 PolarHBondContact O-N 3.06Å; G145-S147 VanDerWaalsContact C-N 3.31Å
146	E	90.1	Very high	93.8	Very high	93 Å²	93	63.1 Å²	63.1	44%	0.435	30%	0.302	S	S	.	.			trans	-81.5	-13.7	179.7	-71.4	166	-162	0	0	112.6	E141 S144	E141-E146 HydrophobicContact CG-CB 3.82Å; E141-E146 PolarHBondContact O-N 3.42Å; S144-E146 WeakPolarHBondContact CB-OE1 3.43Å
147	S	88.6	Confident	93.7	Very high	8 Å²	8	63.1 Å²	63.1	6%	0.056	30%	0.302	C	S	.	.			trans	-76.9	128.6	176.3	150	0	0	0	0	112	E141 G145 N149	E141-S147 VanDerWaalsContact OE1-CA 3.31Å; E141-S147 WeakPolarHBondContact OE1-CA 3.44Å; E141-S147 VanDerWaalsContact OE1-CB 3.29Å; E141-S147 WeakPolarHBondContact OE1-CB 3.22Å; G145-S147 VanDerWaalsContact C-N 3.31Å; S147-N149 VanDerWaalsContact C-N 3.28Å; S147-N149 PolarHBondContact O-N 2.96Å; S147-N149 PolarHBondContact OG-N 3.44Å; S147-N149 VanDerWaalsContact OG-N 3.13Å
148	W	88.2	Confident	93.6	Very high	250 Å²	250	63.6 Å²	63.6	95%	0.947	30%	0.302	S	S	*	.			trans	-78.2	-4	173.2	-65.2	93.1	0	0	0	114.9	P150	W148-P150 VanDerWaalsContact O-CD 3.25Å; W148-P150 WeakPolarHBondContact O-CD 3.11Å
149	N	90.5	Very high	93.5	Very high	69 Å²	69	68.1 Å²	68.1	37%	0.369	32%	0.324	S	S	.	.			trans	-72.9	116.1	176.8	-176.1	-23.9	0	0	0	110.7	S147 M151 K152 L153	S147-N149 VanDerWaalsContact C-N 3.28Å; S147-N149 PolarHBondContact O-N 2.96Å; S147-N149 PolarHBondContact OG-N 3.44Å; S147-N149 VanDerWaalsContact OG-N 3.13Å; N149-M151 PolarHBondContact O-N 3.42Å; N149-M151 VanDerWaalsContact O-N 3.11Å; N149-M151 WeakPolarHBondContact OD1-CB 3.25Å; N149-M151 PolarHBondContact OD1-N 3.2Å; N149-K152 HydrophobicContact CB-CB 4.13Å; N149-K152 HydrophobicContact CB-CG 3.79Å; N149-K152 PolarHBondContact O-N 3.13Å; N149-L153 PolarHBondContact O-N 3.1Å
150	P	89.7	Confident	93.3	Very high	113 Å²	113	68.5 Å²	68.5	73%	0.734	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.8	-177	-24.8	34.9	0	0	0	113.5	W148 K152 L153	W148-P150 VanDerWaalsContact O-CD 3.25Å; W148-P150 WeakPolarHBondContact O-CD 3.11Å; P150-K152 VanDerWaalsContact C-N 3.26Å; P150-K152 PolarHBondContact O-N 2.96Å; P150-L153 PolarHBondContact O-N 3.25Å
151	M	90.2	Very high	93	Very high	139 Å²	139	71.5 Å²	71.5	69%	0.685	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-24.5	178.2	-59.8	-169.1	-166.5	0	0	112.5	N149 R154	N149-M151 PolarHBondContact O-N 3.42Å; N149-M151 VanDerWaalsContact O-N 3.11Å; N149-M151 WeakPolarHBondContact OD1-CB 3.25Å; N149-M151 PolarHBondContact OD1-N 3.2Å; M151-R154 VanDerWaalsContact O-CZ 3.26Å; M151-R154 PolarHBondContact O-NH1 3.34Å
152	K	90.3	Very high	92.9	Very high	46 Å²	46	73.5 Å²	73.5	20%	0.2	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-18.5	-179.2	-56.6	-60.6	-168.7	175.7	0	112.5	Y142 N149 P150 R154 Y155	Y142-K152 HydrophobicContact CD1-CB 4.28Å; Y142-K152 HydrophobicContact CD2-CB 4.34Å; Y142-K152 HydrophobicContact CD2-CD 4.11Å; Y142-K152 HydrophobicContact CD2-CG 4.43Å; Y142-K152 HydrophobicContact CE1-CB 4.24Å; Y142-K152 HydrophobicContact CE1-CG 4.2Å; Y142-K152 HydrophobicContact CE2-CB 4.28Å; Y142-K152 HydrophobicContact CE2-CD 3.54Å; Y142-K152 HydrophobicContact CE2-CG 3.9Å; Y142-K152 HydrophobicContact CG-CB 4.34Å; N149-K152 HydrophobicContact CB-CB 4.13Å; N149-K152 HydrophobicContact CB-CG 3.79Å; N149-K152 PolarHBondContact O-N 3.13Å; P150-K152 VanDerWaalsContact C-N 3.26Å; P150-K152 PolarHBondContact O-N 2.96Å; K152-R154 PolarHBondContact O-N 3.49Å; K152-Y155 HydrophobicContact CB-CD2 4.12Å; K152-Y155 HydrophobicContact CB-CE2 4.48Å; K152-Y155 HydrophobicContact CD-CD2 4.06Å; K152-Y155 HydrophobicContact CD-CE2 3.62Å; K152-Y155 WeakPolarHBondContact O-CB 3.4Å; K152-Y155 WeakPolarHBondContact O-CD2 3.45Å; K152-Y155 PolarHBondContact O-N 3.13Å
153	L	90.4	Very high	92.8	Very high	89 Å²	89	74 Å²	74	47%	0.466	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-58.3	-25.4	-179.9	-150.5	72.4	0	0	0	113.6	N149 P150 Y155 Q156	N149-L153 PolarHBondContact O-N 3.1Å; P150-L153 PolarHBondContact O-N 3.25Å; L153-Y155 PolarHBondContact O-N 2.8Å; L153-Q156 WeakPolarHBondContact O-CB 3.25Å; L153-Q156 PolarHBondContact O-N 3.45Å
154	R	93.3	Very high	92.7	Very high	155 Å²	155	74 Å²	74	59%	0.585	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-64.1	-15.1	174.8	72.5	179.9	-179.6	-117.6	7.9	114.8	H126 M151 K152	H126-R154 PolarHBondContact CE1-O 2.99Å; M151-R154 VanDerWaalsContact O-CZ 3.26Å; M151-R154 PolarHBondContact O-NH1 3.34Å; K152-R154 PolarHBondContact O-N 3.49Å
155	Y	96.1	Very high	92.6	Very high	11 Å²	11	74 Å²	74	4%	0.043	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-84.3	-14.5	179.4	-65.3	-60.5	0	0	0	112.7	H126 T130 W139 Y142 L143 K152 L153 L157	H126-Y155 HydrophobicContact CB-CD1 3.8Å; H126-Y155 HydrophobicContact CB-CE1 4.28Å; H126-Y155 AromaticContact CG-CD1 3.72Å; H126-Y155 AromaticContact ND1-CD1 3.65Å; T130-Y155 VanDerWaalsContact OG1-CE1 3.22Å; T130-Y155 WeakPolarHBondContact OG1-CE1 3.15Å; T130-Y155 VanDerWaalsContact OG1-CZ 3.3Å; T130-Y155 PolarHBondContact OG1-OH 2.58Å; W139-Y155 HydrophobicContact CZ3-CD1 4.36Å; Y142-Y155 AromaticContact CD2-CD2 3.99Å; Y142-Y155 HydrophobicContact CD2-CD2 3.99Å; Y142-Y155 HydrophobicContact CD2-CE2 4.45Å; Y142-Y155 HydrophobicContact CG-CD2 4.46Å; Y142-Y155 CarbonylContact O-C 3.52Å; L143-Y155 WeakPolarHBondContact CD2-O 3.32Å; K152-Y155 HydrophobicContact CB-CD2 4.12Å; K152-Y155 HydrophobicContact CB-CE2 4.48Å; K152-Y155 HydrophobicContact CD-CD2 4.06Å; K152-Y155 HydrophobicContact CD-CE2 3.62Å; K152-Y155 WeakPolarHBondContact O-CB 3.4Å; K152-Y155 WeakPolarHBondContact O-CD2 3.45Å; K152-Y155 PolarHBondContact O-N 3.13Å; L153-Y155 PolarHBondContact O-N 2.8Å; Y155-L157 PolarHBondContact O-N 3.27Å
156	Q	96.8	Very high	92.7	Very high	63 Å²	63	78.8 Å²	78.8	29%	0.294	36%	0.363	S	S	.	.			trans	-60.9	126.4	-177	-177.3	-177.1	34.4	0	0	110.9	Y142 S144 L153 K158	Y142-Q156 WeakPolarHBondContact O-CA 3.39Å; Y142-Q156 PolarHBondContact O-N 2.9Å; S144-Q156 PolarHBondContact O-NE2 2.91Å; L153-Q156 WeakPolarHBondContact O-CB 3.25Å; L153-Q156 PolarHBondContact O-N 3.45Å; Q156-K158 PolarHBondContact O-N 2.64Å
157	L	97	Very high	92.9	Very high	2 Å²	2	75.2 Å²	75.2	1%	0.01	35%	0.347	C	S	.	.			trans	-75.5	113.3	170.6	-59.2	175.3	0	0	0	108.4	R77 V80 I119 E122 A123 L143 Y155 V160	R77-L157 PolarHBondContact NH2-O 2.88Å; V80-L157 HydrophobicContact CG2-CD1 4.29Å; I119-L157 HydrophobicContact CG2-CD1 3.91Å; E122-L157 HydrophobicContact CB-CD2 4.11Å; E122-L157 HydrophobicContact CG-CD2 3.73Å; A123-L157 HydrophobicContact CB-CD1 4.29Å; A123-L157 HydrophobicContact CB-CD2 4.47Å; L143-L157 HydrophobicContact CB-CD1 4.18Å; L143-L157 HydrophobicContact CB-CG 4.25Å; L143-L157 HydrophobicContact CD2-CD1 4.1Å; L143-L157 HydrophobicContact CD2-CD2 4.2Å; L143-L157 HydrophobicContact CD2-CG 3.9Å; L143-L157 HydrophobicContact CG-CD1 4.49Å; L143-L157 PolarHBondContact O-N 2.91Å; Y155-L157 PolarHBondContact O-N 3.27Å; L157-V160 HydrophobicContact CB-CG2 3.64Å
158	K	94.7	Very high	93.2	Very high	131 Å²	131	74.8 Å²	74.8	57%	0.57	34%	0.344	S	S	*	.			trans	-90.7	153.6	-178.1	-62.6	-174.6	-180	-175.2	0	112	Q156 V160 R163	Q156-K158 PolarHBondContact O-N 2.64Å; K158-V160 PolarHBondContact O-N 3.45Å; K158-R163 WeakPolarHBondContact O-CD 3.46Å; K158-R163 PolarHBondContact O-NH1 3.36Å
159	N	93.4	Very high	93.5	Very high	112 Å²	112	64.9 Å²	64.9	60%	0.599	31%	0.311	S	S	*	.	S	Bend	trans	52.5	36.8	174.6	-51.6	-20.9	0	0	0	112.9	R161 E162 R163	N159-R161 VanDerWaalsContact C-N 3.28Å; N159-R161 PolarHBondContact O-N 3.06Å; N159-E162 WeakPolarHBondContact CA-OE2 3.42Å; N159-E162 HydrophobicContact CB-CB 4.48Å; N159-E162 WeakPolarHBondContact CB-OE2 3.5Å; N159-E162 PolarHBondContact O-N 3.43Å; N159-R163 WeakPolarHBondContact O-CB 3.19Å; N159-R163 VanDerWaalsContact O-CD 3.31Å; N159-R163 WeakPolarHBondContact O-CD 3.32Å; N159-R163 WeakPolarHBondContact O-CG 3.19Å; N159-R163 PolarHBondContact O-N 3.27Å
160	V	94.9	Very high	93.7	Very high	8 Å²	8	68 Å²	68	5%	0.048	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-38.6	-174.6	167.4	0	0	0	0	111	W68 L76 I119 L157 K158 R163 L164	W68-V160 HydrophobicContact CH2-CG1 4.3Å; L76-V160 HydrophobicContact CD1-CG1 4.38Å; I119-V160 HydrophobicContact CD1-CG1 4.26Å; L157-V160 HydrophobicContact CB-CG2 3.64Å; K158-V160 PolarHBondContact O-N 3.45Å; V160-R163 PolarHBondContact O-N 2.74Å; V160-L164 HydrophobicContact CG1-CD1 3.71Å; V160-L164 HydrophobicContact CG1-CG 4.15Å; V160-L164 WeakPolarHBondContact O-CB 3.24Å; V160-L164 VanDerWaalsContact O-CG 3.25Å; V160-L164 WeakPolarHBondContact O-CG 3.44Å; V160-L164 PolarHBondContact O-N 3.41Å
161	R	91.8	Very high	94	Very high	76 Å²	76	65.8 Å²	65.8	29%	0.287	30%	0.303	S	S	.	.	H	α-helix	trans	-59.6	-50.5	177.6	-174.5	178.8	179.2	-179.5	-0	111.7	Y64 W68 N159 R163 L164 A165	Y64-R161 VanDerWaalsContact CB-NH2 3.31Å; W68-R161 HydrophobicContact CD2-CB 4.41Å; W68-R161 HydrophobicContact CE3-CB 3.92Å; W68-R161 HydrophobicContact CE3-CG 3.77Å; W68-R161 HydrophobicContact CH2-CB 3.64Å; W68-R161 HydrophobicContact CH2-CG 4.26Å; W68-R161 HydrophobicContact CZ2-CB 4.18Å; W68-R161 HydrophobicContact CZ3-CB 3.51Å; W68-R161 HydrophobicContact CZ3-CG 3.6Å; N159-R161 VanDerWaalsContact C-N 3.28Å; N159-R161 PolarHBondContact O-N 3.06Å; R161-R163 VanDerWaalsContact C-N 3.33Å; R161-R163 PolarHBondContact O-N 3.23Å; R161-L164 PolarHBondContact O-N 3.29Å; R161-A165 WeakPolarHBondContact O-CB 3.46Å; R161-A165 PolarHBondContact O-N 3.17Å
162	E	91.5	Very high	94.2	Very high	113 Å²	113	60.9 Å²	60.9	53%	0.528	29%	0.287	S	S	.	.	H	α-helix	trans	-65.8	-39.2	-178.3	-62.4	76.6	-170.7	0	0	111	N159 A165 K166	N159-E162 WeakPolarHBondContact CA-OE2 3.42Å; N159-E162 HydrophobicContact CB-CB 4.48Å; N159-E162 WeakPolarHBondContact CB-OE2 3.5Å; N159-E162 PolarHBondContact O-N 3.43Å; E162-A165 PolarHBondContact O-N 2.9Å; E162-K166 WeakPolarHBondContact O-CB 3.31Å; E162-K166 PolarHBondContact O-N 3.43Å
163	R	96.1	Very high	94.4	Very high	46 Å²	46	58.7 Å²	58.7	17%	0.174	28%	0.278	C	S	.	.	H	α-helix	trans	-66.7	-43.6	177.1	-70.5	164.3	68.3	175.8	7.1	111.9	I118 I119 E122 K158 N159 V160 R161 K166 N167	I118-R163 VanDerWaalsContact CG2-NH2 3.33Å; I118-R163 PolarHBondContact O-NH2 3Å; I118-R163 VanDerWaalsContact O-NH2 3.09Å; I119-R163 VanDerWaalsContact CA-NH2 3.34Å; I119-R163 HydrophobicContact CD1-CB 3.87Å; I119-R163 HydrophobicContact CG1-CB 4.23Å; E122-R163 IonicContact OE2-CZ 2.79Å; E122-R163 IonicContact OE2-NH1 2.74Å; E122-R163 PolarHBondContact OE2-NH1 3.24Å; E122-R163 IonicContact OE2-NH2 2.9Å; E122-R163 PolarHBondContact OE2-NH2 3.49Å; K158-R163 WeakPolarHBondContact O-CD 3.46Å; K158-R163 PolarHBondContact O-NH1 3.36Å; N159-R163 WeakPolarHBondContact O-CB 3.19Å; N159-R163 VanDerWaalsContact O-CD 3.31Å; N159-R163 WeakPolarHBondContact O-CD 3.32Å; N159-R163 WeakPolarHBondContact O-CG 3.19Å; N159-R163 PolarHBondContact O-N 3.27Å; V160-R163 PolarHBondContact O-N 2.74Å; R161-R163 VanDerWaalsContact C-N 3.33Å; R161-R163 PolarHBondContact O-N 3.23Å; R163-K166 PolarHBondContact O-N 3.38Å; R163-N167 PolarHBondContact O-N 2.94Å; R163-N167 PolarHBondContact O-OD1 3.32Å
164	L	95.6	Very high	94.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-42	175.6	-70.6	173.1	0	0	0	111.7	M50 E51 L54 L76 I119 V160 R161 K166 N167 L168	M50-L164 HydrophobicContact CB-CD1 4.16Å; M50-L164 HydrophobicContact CB-CD2 3.71Å; E51-L164 HydrophobicContact CG-CD2 3.96Å; L54-L164 HydrophobicContact CD2-CB 3.5Å; L54-L164 HydrophobicContact CD2-CD1 4.04Å; L54-L164 HydrophobicContact CD2-CG 4.41Å; L76-L164 HydrophobicContact CD1-CD1 3.9Å; L76-L164 HydrophobicContact CD2-CD1 4.35Å; I119-L164 HydrophobicContact CD1-CD2 3.7Å; I119-L164 HydrophobicContact CD1-CG 3.79Å; V160-L164 HydrophobicContact CG1-CD1 3.71Å; V160-L164 HydrophobicContact CG1-CG 4.15Å; V160-L164 WeakPolarHBondContact O-CB 3.24Å; V160-L164 VanDerWaalsContact O-CG 3.25Å; V160-L164 WeakPolarHBondContact O-CG 3.44Å; V160-L164 PolarHBondContact O-N 3.41Å; R161-L164 PolarHBondContact O-N 3.29Å; L164-K166 VanDerWaalsContact C-N 3.32Å; L164-K166 PolarHBondContact O-N 3.15Å; L164-N167 PolarHBondContact O-N 2.92Å; L164-L168 WeakPolarHBondContact O-CB 3.21Å; L164-L168 WeakPolarHBondContact O-CG 3.44Å; L164-L168 PolarHBondContact O-N 2.91Å
165	A	92.9	Very high	94.6	Very high	8 Å²	8	49 Å²	49	7%	0.066	24%	0.24	C	C	.	.	H	α-helix	trans	-59.6	-45.3	174.8	0	0	0	0	0	111	R161 E162 N167 L168 V169 H189	R161-A165 WeakPolarHBondContact O-CB 3.46Å; R161-A165 PolarHBondContact O-N 3.17Å; E162-A165 PolarHBondContact O-N 2.9Å; A165-N167 PolarHBondContact O-N 3.49Å; A165-L168 PolarHBondContact O-N 3.03Å; A165-V169 WeakPolarHBondContact O-CG2 3.35Å; A165-V169 PolarHBondContact O-N 3.14Å; A165-H189 HydrophobicContact CB-CB 4.4Å
166	K	93.6	Very high	94.3	Very high	122 Å²	122	52.2 Å²	52.2	53%	0.53	26%	0.26	S	S	.	.	H	α-helix	trans	-59	-47.6	175	-176.2	179.9	170.9	-174.4	0	112	E162 R163 L164 L168 V169 E170	E162-K166 WeakPolarHBondContact O-CB 3.31Å; E162-K166 PolarHBondContact O-N 3.43Å; R163-K166 PolarHBondContact O-N 3.38Å; L164-K166 VanDerWaalsContact C-N 3.32Å; L164-K166 PolarHBondContact O-N 3.15Å; K166-L168 VanDerWaalsContact C-N 3.3Å; K166-L168 PolarHBondContact O-N 2.93Å; K166-V169 PolarHBondContact O-N 2.91Å; K166-E170 WeakPolarHBondContact CE-OE1 3.25Å; K166-E170 IonicContact NZ-OE1 2.69Å; K166-E170 WeakPolarHBondContact O-CG 3.39Å; K166-E170 PolarHBondContact O-N 3.07Å
167	N	95.6	Very high	93.9	Very high	18 Å²	18	53.6 Å²	53.6	10%	0.096	27%	0.267	C	S	.	.	H	α-helix	trans	-58.5	-42.9	176.7	-72.1	3.8	0	0	0	111.7	E51 D117 R163 L164 A165 V169 E170 K171	E51-N167 VanDerWaalsContact OE1-CB 3.25Å; E51-N167 WeakPolarHBondContact OE1-CB 3.4Å; E51-N167 PolarHBondContact OE1-ND2 3.2Å; D117-N167 PolarHBondContact OD2-ND2 3.02Å; R163-N167 PolarHBondContact O-N 2.94Å; R163-N167 PolarHBondContact O-OD1 3.32Å; L164-N167 PolarHBondContact O-N 2.92Å; A165-N167 PolarHBondContact O-N 3.49Å; N167-V169 VanDerWaalsContact C-N 3.33Å; N167-V169 PolarHBondContact O-N 3.01Å; N167-E170 PolarHBondContact O-N 3.36Å; N167-K171 WeakPolarHBondContact O-CB 3.34Å; N167-K171 VanDerWaalsContact O-CG 3.25Å; N167-K171 WeakPolarHBondContact O-CG 3.26Å; N167-K171 PolarHBondContact O-N 2.91Å
168	L	95.1	Very high	93.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68.5	-30.8	178.6	-74.5	171.7	0	0	0	113.1	L47 E51 L54 L164 A165 K166 G172 V173 L174	L47-L168 HydrophobicContact CD1-CD2 4.33Å; L47-L168 HydrophobicContact CD2-CD2 3.83Å; E51-L168 HydrophobicContact CB-CD2 3.9Å; E51-L168 HydrophobicContact CB-CG 4.32Å; E51-L168 HydrophobicContact CG-CD2 4.08Å; E51-L168 HydrophobicContact CG-CG 4.11Å; L54-L168 HydrophobicContact CD2-CD1 4.05Å; L164-L168 WeakPolarHBondContact O-CB 3.21Å; L164-L168 WeakPolarHBondContact O-CG 3.44Å; L164-L168 PolarHBondContact O-N 2.91Å; A165-L168 PolarHBondContact O-N 3.03Å; K166-L168 VanDerWaalsContact C-N 3.3Å; K166-L168 PolarHBondContact O-N 2.93Å; L168-G172 PolarHBondContact O-N 3.04Å; L168-V173 HydrophobicContact CB-CB 4.46Å; L168-V173 HydrophobicContact CD2-CB 4.07Å; L168-V173 HydrophobicContact CD2-CG1 4.23Å; L168-V173 HydrophobicContact CD2-CG2 4.28Å; L168-V173 PolarHBondContact O-N 3.48Å; L168-L174 HydrophobicContact CB-CB 4.31Å; L168-L174 HydrophobicContact CB-CD1 3.69Å; L168-L174 HydrophobicContact CB-CG 3.71Å; L168-L174 HydrophobicContact CD1-CD1 3.75Å; L168-L174 HydrophobicContact CD1-CG 4.22Å; L168-L174 HydrophobicContact CG-CD1 4.39Å; L168-L174 PolarHBondContact O-N 3.44Å
169	V	94.6	Very high	92.9	Very high	42 Å²	42	56.9 Å²	56.9	26%	0.255	28%	0.282	S	S	.	.	H	α-helix	trans	-68.5	-46.9	171.1	171.4	0	0	0	0	110.8	A165 K166 N167 K171 G172 L174	A165-V169 WeakPolarHBondContact O-CG2 3.35Å; A165-V169 PolarHBondContact O-N 3.14Å; K166-V169 PolarHBondContact O-N 2.91Å; N167-V169 VanDerWaalsContact C-N 3.33Å; N167-V169 PolarHBondContact O-N 3.01Å; V169-K171 PolarHBondContact O-N 2.68Å; V169-G172 PolarHBondContact O-N 2.7Å; V169-L174 WeakPolarHBondContact CA-O 3.29Å; V169-L174 HydrophobicContact CG2-CB 3.81Å
170	E	94.5	Very high	92.5	Very high	134 Å²	134	57.1 Å²	57.1	63%	0.626	28%	0.283	S	S	*	.	H	α-helix	trans	-60.4	-30.1	176.6	-71.8	177.1	178.8	0	0	112.2	K166 N167 G172	K166-E170 WeakPolarHBondContact CE-OE1 3.25Å; K166-E170 IonicContact NZ-OE1 2.69Å; K166-E170 WeakPolarHBondContact O-CG 3.39Å; K166-E170 PolarHBondContact O-N 3.07Å; N167-E170 PolarHBondContact O-N 3.36Å; E170-G172 VanDerWaalsContact C-N 3.33Å
171	K	95	Very high	92	Very high	67 Å²	67	60.9 Å²	60.9	29%	0.291	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	0.4	175.2	-72.2	172.6	178.6	173.6	0	114.3	T45 R46 L47 E51 N167 V169 V173	T45-K171 HydrophobicContact CG2-CB 3.77Å; T45-K171 HydrophobicContact CG2-CD 4.4Å; T45-K171 HydrophobicContact CG2-CG 4.21Å; R46-K171 PolarHBondContact O-NZ 3.41Å; L47-K171 HydrophobicContact CD2-CD 3.8Å; E51-K171 IonicContact OE1-NZ 2.67Å; E51-K171 PolarHBondContact OE1-NZ 3.31Å; E51-K171 IonicContact OE2-NZ 3.81Å; E51-K171 PolarHBondContact OE2-NZ 3.14Å; N167-K171 WeakPolarHBondContact O-CB 3.34Å; N167-K171 VanDerWaalsContact O-CG 3.25Å; N167-K171 WeakPolarHBondContact O-CG 3.26Å; N167-K171 PolarHBondContact O-N 2.91Å; V169-K171 PolarHBondContact O-N 2.68Å; K171-V173 VanDerWaalsContact C-N 3.28Å; K171-V173 HydrophobicContact CB-CG2 4.44Å; K171-V173 PolarHBondContact O-N 3.25Å
172	G	94.1	Very high	91.7	Very high	35 Å²	35	65.6 Å²	65.6	36%	0.361	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	19.2	178.2	0	0	0	0	0	114.9	L168 V169 E170	L168-G172 PolarHBondContact O-N 3.04Å; V169-G172 PolarHBondContact O-N 2.7Å; E170-G172 VanDerWaalsContact C-N 3.33Å
173	V	94.5	Very high	91.6	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.006	34%	0.343	C	S	.	.	S	Bend	trans	-86.6	-43.5	176.3	180	0	0	0	0	110.6	T45 L47 L55 L168 K171 Q192 N193	T45-V173 HydrophobicContact CG2-CG2 4.39Å; L47-V173 HydrophobicContact CD2-CG2 4.15Å; L55-V173 HydrophobicContact CD1-CG1 3.9Å; L55-V173 HydrophobicContact CD2-CG1 3.9Å; L168-V173 HydrophobicContact CB-CB 4.46Å; L168-V173 HydrophobicContact CD2-CB 4.07Å; L168-V173 HydrophobicContact CD2-CG1 4.23Å; L168-V173 HydrophobicContact CD2-CG2 4.28Å; L168-V173 PolarHBondContact O-N 3.48Å; K171-V173 VanDerWaalsContact C-N 3.28Å; K171-V173 HydrophobicContact CB-CG2 4.44Å; K171-V173 PolarHBondContact O-N 3.25Å; V173-Q192 PolarHBondContact O-N 2.89Å; V173-N193 PolarHBondContact O-N 3.11Å
174	L	94.3	Very high	91.1	Very high	3 Å²	3	70.9 Å²	70.9	2%	0.016	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-106.6	159.8	174.3	-56.8	-177.6	0	0	0	110.3	L55 L58 L168 V169 H189 P190 V191	L55-L174 HydrophobicContact CD1-CD2 4.39Å; L58-L174 HydrophobicContact CD1-CD1 4.14Å; L58-L174 HydrophobicContact CD1-CD2 4.2Å; L168-L174 HydrophobicContact CB-CB 4.31Å; L168-L174 HydrophobicContact CB-CD1 3.69Å; L168-L174 HydrophobicContact CB-CG 3.71Å; L168-L174 HydrophobicContact CD1-CD1 3.75Å; L168-L174 HydrophobicContact CD1-CG 4.22Å; L168-L174 HydrophobicContact CG-CD1 4.39Å; L168-L174 PolarHBondContact O-N 3.44Å; V169-L174 WeakPolarHBondContact CA-O 3.29Å; V169-L174 HydrophobicContact CG2-CB 3.81Å; L174-H189 HydrophobicContact CB-CB 4.43Å; L174-H189 HydrophobicContact CD1-CB 3.99Å; L174-P190 WeakPolarHBondContact CA-O 3.49Å; L174-V191 HydrophobicContact CD2-CB 4.26Å; L174-V191 HydrophobicContact CD2-CG2 3.78Å
175	T	93.3	Very high	90.7	Very high	38 Å²	38	74.9 Å²	74.9	23%	0.233	38%	0.379	C	S	.	.			trans	-109.9	176.7	165.5	-173.4	0	0	0	0	110.2	E177 H189 P190 Q192	T175-E177 HydrophobicContact CG2-CG 4.03Å; T175-H189 VanDerWaalsContact O-CA 3.24Å; T175-H189 WeakPolarHBondContact O-CA 3.42Å; T175-H189 PolarHBondContact O-ND1 2.99Å; T175-P190 HydrophobicContact CG2-CG 3.62Å; T175-P190 PolarHBondContact N-O 2.96Å; T175-Q192 HydrophobicContact CG2-CB 4.32Å
176	T	91.5	Very high	90.3	Very high	77 Å²	77	77.5 Å²	77.5	47%	0.472	39%	0.39	S	S	.	.			trans	-116.3	116.9	170.6	-59.8	0	0	0	0	108.6	T187 H189	T176-T187 HydrophobicContact CG2-CG2 3.51Å; T176-H189 PolarHBondContact OG1-ND1 3.15Å
177	E	88.6	Confident	89.9	Confident	92 Å²	92	75.3 Å²	75.3	43%	0.43	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134.5	178.4	-75.9	-179.3	-160.3	0	0	110.4	T175 T188 P190	T175-E177 HydrophobicContact CG2-CG 4.03Å; E177-T188 WeakPolarHBondContact CB-OG1 3.44Å; E177-T188 PolarHBondContact N-O 3.46Å; E177-T188 PolarHBondContact O-N 2.94Å; E177-T188 PolarHBondContact O-OG1 2.95Å; E177-P190 HydrophobicContact CB-CG 4.21Å; E177-P190 VanDerWaalsContact CD-CG 3.46Å; E177-P190 HydrophobicContact CG-CG 3.96Å
178	K	86.4	Confident	89.5	Confident	134 Å²	134	74.5 Å²	74.5	58%	0.583	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	107.4	173.5	-170.8	179.3	175.7	-167.8	0	108.6	D185	K178-D185 HydrophobicContact CD-CB 4.41Å; K178-D185 WeakPolarHBondContact CE-OD2 3.36Å; K178-D185 HydrophobicContact CG-CB 4.24Å; K178-D185 IonicContact NZ-OD2 2.64Å; K178-D185 PolarHBondContact NZ-OD2 2.95Å
179	Q	83.2	Confident	89.3	Confident	69 Å²	69	76.4 Å²	76.4	32%	0.322	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	123.9	174	-73.9	-172.9	-2.6	0	0	109.7	F181 D185 M186 T188	Q179-F181 HydrophobicContact CB-CD2 4.42Å; Q179-F181 HydrophobicContact CB-CE2 3.69Å; Q179-F181 HydrophobicContact CB-CZ 4.25Å; Q179-D185 CarbonylContact O-C 3.5Å; Q179-D185 WeakPolarHBondContact O-CA 3.41Å; Q179-M186 PolarHBondContact N-O 2.89Å; Q179-M186 PolarHBondContact O-N 3.18Å; Q179-T188 HydrophobicContact CB-CG2 4.11Å; Q179-T188 HydrophobicContact CG-CG2 3.84Å
180	N	84.7	Confident	89.1	Confident	117 Å²	117	74.8 Å²	74.8	63%	0.626	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	111.4	177.7	-53.9	-34.1	0	0	0	108.6	D185	N180-D185 WeakPolarHBondContact CA-OD1 3.44Å; N180-D185 WeakPolarHBondContact CB-OD1 3.48Å; N180-D185 VanDerWaalsContact OD1-CG 3.27Å; N180-D185 PolarHBondContact OD1-OD1 3.35Å
181	F	84	Confident	89	Confident	86 Å²	86	69.2 Å²	69.2	38%	0.377	36%	0.357	S	S	.	.			trans	-91.8	161.4	169.3	-61.8	-95.4	0	0	0	109.3	Q179 L183 F184 M186	Q179-F181 HydrophobicContact CB-CD2 4.42Å; Q179-F181 HydrophobicContact CB-CE2 3.69Å; Q179-F181 HydrophobicContact CB-CZ 4.25Å; F181-L183 PolarHBondContact O-N 3Å; F181-F184 CarbonylContact C-O 3.59Å; F181-F184 VanDerWaalsContact CA-O 3.27Å; F181-F184 WeakPolarHBondContact CA-O 3.44Å; F181-F184 HydrophobicContact CB-CD1 4.41Å; F181-F184 HydrophobicContact CB-CD2 4.25Å; F181-F184 HydrophobicContact CB-CE1 4.24Å; F181-F184 HydrophobicContact CB-CE2 4.07Å; F181-F184 HydrophobicContact CB-CG 4.41Å; F181-F184 HydrophobicContact CB-CZ 4.06Å; F181-F184 WeakPolarHBondContact CB-O 3.41Å; F181-F184 HydrophobicContact CD1-CZ 4.49Å; F181-F184 AromaticContact CD2-CD2 3.99Å; F181-F184 HydrophobicContact CD2-CD2 3.99Å; F181-F184 AromaticContact CD2-CE2 3.54Å; F181-F184 HydrophobicContact CD2-CE2 3.54Å; F181-F184 HydrophobicContact CD2-CZ 4.14Å; F181-F184 HydrophobicContact CE2-CE2 4.2Å; F181-F184 HydrophobicContact CG-CD2 4.37Å; F181-F184 AromaticContact CG-CE2 3.83Å; F181-F184 HydrophobicContact CG-CE2 3.83Å; F181-F184 AromaticContact CG-CZ 3.97Å; F181-F184 HydrophobicContact CG-CZ 3.97Å; F181-F184 PolarHBondContact N-O 3.45Å; F181-F184 PolarHBondContact O-N 3.17Å; F181-F184 VanDerWaalsContact O-O 3.1Å; F181-M186 HydrophobicContact CD2-CB 4.05Å; F181-M186 HydrophobicContact CE2-CB 3.76Å; F181-M186 HydrophobicContact CE2-CE 3.56Å; F181-M186 HydrophobicContact CZ-CE 3.73Å
182	I	86.6	Confident	88.8	Confident	175 Å²	175	72 Å²	72	90%	0.897	37%	0.372	S	S	*	.	S	Bend	trans	-52.9	-33.1	-178	-64.1	171	0	0	0	112.3
183	L	88.5	Confident	88.7	Confident	159 Å²	159	72.9 Å²	72.9	83%	0.832	37%	0.368	S	S	*	.	S	Bend	trans	-111.3	-12	-173.7	-62.3	177.3	0	0	0	114.4	F181	F181-L183 PolarHBondContact O-N 3Å
184	F	87.3	Confident	88.5	Confident	112 Å²	112	75.6 Å²	75.6	49%	0.491	39%	0.387	S	S	.	.			trans	-166.4	158.4	-175.2	56.9	-89.4	0	0	0	111	F181 M186	F181-F184 CarbonylContact C-O 3.59Å; F181-F184 VanDerWaalsContact CA-O 3.27Å; F181-F184 WeakPolarHBondContact CA-O 3.44Å; F181-F184 HydrophobicContact CB-CD1 4.41Å; F181-F184 HydrophobicContact CB-CD2 4.25Å; F181-F184 HydrophobicContact CB-CE1 4.24Å; F181-F184 HydrophobicContact CB-CE2 4.07Å; F181-F184 HydrophobicContact CB-CG 4.41Å; F181-F184 HydrophobicContact CB-CZ 4.06Å; F181-F184 WeakPolarHBondContact CB-O 3.41Å; F181-F184 HydrophobicContact CD1-CZ 4.49Å; F181-F184 AromaticContact CD2-CD2 3.99Å; F181-F184 HydrophobicContact CD2-CD2 3.99Å; F181-F184 AromaticContact CD2-CE2 3.54Å; F181-F184 HydrophobicContact CD2-CE2 3.54Å; F181-F184 HydrophobicContact CD2-CZ 4.14Å; F181-F184 HydrophobicContact CE2-CE2 4.2Å; F181-F184 HydrophobicContact CG-CD2 4.37Å; F181-F184 AromaticContact CG-CE2 3.83Å; F181-F184 HydrophobicContact CG-CE2 3.83Å; F181-F184 AromaticContact CG-CZ 3.97Å; F181-F184 HydrophobicContact CG-CZ 3.97Å; F181-F184 PolarHBondContact N-O 3.45Å; F181-F184 PolarHBondContact O-N 3.17Å; F181-F184 VanDerWaalsContact O-O 3.1Å; F184-M186 HydrophobicContact CD2-CB 4.14Å; F184-M186 HydrophobicContact CE2-CB 4.03Å; F184-M186 HydrophobicContact CE2-SD 4.45Å
185	D	85.7	Confident	88.5	Confident	84 Å²	84	81.9 Å²	81.9	45%	0.449	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	138.9	166.7	-57.9	-25.5	0	0	0	109.4	K178 Q179 N180	K178-D185 HydrophobicContact CD-CB 4.41Å; K178-D185 WeakPolarHBondContact CE-OD2 3.36Å; K178-D185 HydrophobicContact CG-CB 4.24Å; K178-D185 IonicContact NZ-OD2 2.64Å; K178-D185 PolarHBondContact NZ-OD2 2.95Å; Q179-D185 CarbonylContact O-C 3.5Å; Q179-D185 WeakPolarHBondContact O-CA 3.41Å; N180-D185 WeakPolarHBondContact CA-OD1 3.44Å; N180-D185 WeakPolarHBondContact CB-OD1 3.48Å; N180-D185 VanDerWaalsContact OD1-CG 3.27Å; N180-D185 PolarHBondContact OD1-OD1 3.35Å
186	M	84.4	Confident	88.4	Confident	62 Å²	62	81.2 Å²	81.2	31%	0.305	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.6	177.3	-163.8	174.9	49.6	0	0	110.1	Y64 Q179 F181 F184 T188	Y64-M186 HydrophobicContact CD2-CE 4.44Å; Y64-M186 HydrophobicContact CE2-CE 3.33Å; Y64-M186 HydrophobicContact CE2-SD 4.06Å; Y64-M186 VanDerWaalsContact OH-CE 3.26Å; Y64-M186 WeakPolarHBondContact OH-CE 3.48Å; Y64-M186 VanDerWaalsContact OH-CG 3.22Å; Y64-M186 WeakPolarHBondContact OH-CG 3.4Å; Y64-M186 PolarHBondContact OH-SD 2.9Å; Q179-M186 PolarHBondContact N-O 2.89Å; Q179-M186 PolarHBondContact O-N 3.18Å; F181-M186 HydrophobicContact CD2-CB 4.05Å; F181-M186 HydrophobicContact CE2-CB 3.76Å; F181-M186 HydrophobicContact CE2-CE 3.56Å; F181-M186 HydrophobicContact CZ-CE 3.73Å; F184-M186 HydrophobicContact CD2-CB 4.14Å; F184-M186 HydrophobicContact CE2-CB 4.03Å; F184-M186 HydrophobicContact CE2-SD 4.45Å; M186-T188 HydrophobicContact CE-CG2 4.19Å
187	T	86.3	Confident	88.5	Confident	77 Å²	77	78.1 Å²	78.1	47%	0.472	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	122	170.8	-59.2	0	0	0	0	109.2	Y64 T176	Y64-T187 PolarHBondContact OH-O 3.13Å; T176-T187 HydrophobicContact CG2-CG2 3.51Å
188	T	86.9	Confident	88.8	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	156	-178.5	63.1	0	0	0	0	109.9	Y64 E177 Q179 M186 P190	Y64-T188 HydrophobicContact CE2-CG2 3.61Å; Y64-T188 VanDerWaalsContact CZ-CG2 3.5Å; Y64-T188 VanDerWaalsContact OH-CA 3.28Å; Y64-T188 WeakPolarHBondContact OH-CA 3.19Å; Y64-T188 WeakPolarHBondContact OH-CG2 3.45Å; E177-T188 WeakPolarHBondContact CB-OG1 3.44Å; E177-T188 PolarHBondContact N-O 3.46Å; E177-T188 PolarHBondContact O-N 2.94Å; E177-T188 PolarHBondContact O-OG1 2.95Å; Q179-T188 HydrophobicContact CB-CG2 4.11Å; Q179-T188 HydrophobicContact CG-CG2 3.84Å; M186-T188 HydrophobicContact CE-CG2 4.19Å; T188-P190 VanDerWaalsContact C-CD 3.48Å
189	H	90.3	Very high	89.2	Confident	40 Å²	40	76.6 Å²	76.6	19%	0.185	39%	0.388	C	S	.	.			trans	-126.1	68.4	179.6	-60.6	-70.3	0	0	0	111.8	G63 A165 L174 T175 T176	G63-H189 WeakPolarHBondContact CA-O 3.49Å; A165-H189 HydrophobicContact CB-CB 4.4Å; L174-H189 HydrophobicContact CB-CB 4.43Å; L174-H189 HydrophobicContact CD1-CB 3.99Å; T175-H189 VanDerWaalsContact O-CA 3.24Å; T175-H189 WeakPolarHBondContact O-CA 3.42Å; T175-H189 PolarHBondContact O-ND1 2.99Å; T176-H189 PolarHBondContact OG1-ND1 3.15Å
190	P	90.6	Very high	89.8	Confident	9 Å²	9	73.8 Å²	73.8	6%	0.058	38%	0.375	C	S	.	.			trans	-67.9	157.6	-178.4	25.9	-28.8	0	0	0	112.2	L174 T175 E177 T188 Q192	L174-P190 WeakPolarHBondContact CA-O 3.49Å; T175-P190 HydrophobicContact CG2-CG 3.62Å; T175-P190 PolarHBondContact N-O 2.96Å; E177-P190 HydrophobicContact CB-CG 4.21Å; E177-P190 VanDerWaalsContact CD-CG 3.46Å; E177-P190 HydrophobicContact CG-CG 3.96Å; T188-P190 VanDerWaalsContact C-CD 3.48Å; P190-Q192 PolarHBondContact O-N 2.84Å
191	V	92.2	Very high	90.3	Very high	16 Å²	16	68.9 Å²	68.9	10%	0.097	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-73.5	110	-179.9	-179.4	0	0	0	0	109.1	L55 D60 L174 K197	L55-V191 HydrophobicContact CD1-CG2 4.27Å; D60-V191 PolarHBondContact O-N 3.36Å; D60-V191 VanDerWaalsContact O-N 3.13Å; L174-V191 HydrophobicContact CD2-CB 4.26Å; L174-V191 HydrophobicContact CD2-CG2 3.78Å; V191-K197 HydrophobicContact CG1-CB 4.44Å; V191-K197 HydrophobicContact CG2-CD 4.36Å
192	Q	91.8	Very high	90.9	Very high	126 Å²	126	70.7 Å²	70.7	59%	0.589	36%	0.357	S	S	*	.	S	Bend	trans	-82.7	-41.8	175.9	-178.3	-179.6	-21.2	0	0	111	V173 T175 P190 S194	V173-Q192 PolarHBondContact O-N 2.89Å; T175-Q192 HydrophobicContact CG2-CB 4.32Å; P190-Q192 PolarHBondContact O-N 2.84Å; Q192-S194 PolarHBondContact O-N 3.48Å
193	N	91.6	Very high	91.4	Very high	53 Å²	53	66.6 Å²	66.6	28%	0.283	33%	0.333	S	S	.	.			trans	-99	78.5	179.5	-169.5	-16.1	0	0	0	110.8	V173 Q195 A196 K197	V173-N193 PolarHBondContact O-N 3.11Å; N193-Q195 PolarHBondContact O-N 3.45Å; N193-Q195 PolarHBondContact OD1-N 2.93Å; N193-A196 HydrophobicContact CB-CB 4.19Å; N193-A196 PolarHBondContact O-N 2.98Å; N193-A196 PolarHBondContact OD1-N 3.4Å; N193-K197 PolarHBondContact O-N 3.16Å
194	S	91.4	Very high	91.8	Very high	58 Å²	58	59 Å²	59	41%	0.406	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-29.3	177.4	-49.4	0	0	0	0	112.4	Q192 K197 Q198	Q192-S194 PolarHBondContact O-N 3.48Å; S194-K197 PolarHBondContact O-N 3.37Å; S194-Q198 WeakPolarHBondContact O-CB 3.26Å; S194-Q198 VanDerWaalsContact O-CG 3.28Å; S194-Q198 WeakPolarHBondContact O-CG 3.12Å; S194-Q198 PolarHBondContact O-N 2.89Å
195	Q	92.7	Very high	92.4	Very high	135 Å²	135	55.2 Å²	55.2	63%	0.631	28%	0.276	S	S	*	.	H	α-helix	trans	-64.3	-42.8	178.3	-171.5	-177.5	11.5	0	0	111.7	N193 K197 Q198 K199	N193-Q195 PolarHBondContact O-N 3.45Å; N193-Q195 PolarHBondContact OD1-N 2.93Å; Q195-K197 VanDerWaalsContact C-N 3.33Å; Q195-K197 PolarHBondContact O-N 2.93Å; Q195-Q198 PolarHBondContact O-N 3.41Å; Q195-K199 WeakPolarHBondContact O-CB 3.48Å; Q195-K199 WeakPolarHBondContact O-CG 3.32Å; Q195-K199 PolarHBondContact O-N 3.48Å
196	A	92.3	Very high	92.9	Very high	24 Å²	24	52.9 Å²	52.9	20%	0.198	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-43.6	176.8	0	0	0	0	0	111.5	N193 K199 L200	N193-A196 HydrophobicContact CB-CB 4.19Å; N193-A196 PolarHBondContact O-N 2.98Å; N193-A196 PolarHBondContact OD1-N 3.4Å; A196-K199 PolarHBondContact O-N 3.39Å; A196-L200 PolarHBondContact O-N 2.89Å
197	K	92.9	Very high	93.5	Very high	13 Å²	13	50 Å²	50	6%	0.057	25%	0.25	C	S	.	.	H	α-helix	trans	-65.2	-43.8	176.1	-177.8	173.5	175.1	-173	0	112.4	L55 L58 D60 V191 N193 S194 Q195 K199 L200 I201	L55-K197 HydrophobicContact CD1-CB 4.37Å; L55-K197 HydrophobicContact CD1-CD 4.17Å; L55-K197 HydrophobicContact CD1-CG 4.4Å; L55-K197 HydrophobicContact CD2-CB 4.08Å; L55-K197 HydrophobicContact CD2-CG 4.39Å; L55-K197 HydrophobicContact CG-CB 4.16Å; L55-K197 HydrophobicContact CG-CD 4.22Å; L55-K197 HydrophobicContact CG-CG 4.02Å; L55-K197 VanDerWaalsContact O-CE 3.25Å; L55-K197 WeakPolarHBondContact O-CE 3.31Å; L58-K197 PolarHBondContact O-NZ 3.26Å; D60-K197 VanDerWaalsContact OD1-CD 3.31Å; D60-K197 WeakPolarHBondContact OD1-CD 3.35Å; D60-K197 WeakPolarHBondContact OD1-CE 3.34Å; D60-K197 IonicContact OD1-NZ 2.78Å; D60-K197 PolarHBondContact OD1-NZ 2.67Å; V191-K197 HydrophobicContact CG1-CB 4.44Å; V191-K197 HydrophobicContact CG2-CD 4.36Å; N193-K197 PolarHBondContact O-N 3.16Å; S194-K197 PolarHBondContact O-N 3.37Å; Q195-K197 VanDerWaalsContact C-N 3.33Å; Q195-K197 PolarHBondContact O-N 2.93Å; K197-K199 VanDerWaalsContact C-N 3.34Å; K197-K199 PolarHBondContact O-N 3Å; K197-L200 WeakPolarHBondContact O-CB 3.48Å; K197-L200 PolarHBondContact O-N 3.34Å; K197-L200 VanDerWaalsContact O-N 3.17Å; K197-I201 HydrophobicContact CG-CD1 4.07Å; K197-I201 WeakPolarHBondContact O-CG1 3.13Å; K197-I201 PolarHBondContact O-N 3Å
198	Q	94.3	Very high	94	Very high	103 Å²	103	46.3 Å²	46.3	48%	0.481	23%	0.228	S	C	.	.	H	α-helix	trans	-64.6	-38	178.1	-70.1	-60.1	-34.2	0	0	112.2	S194 Q195 I201 K202	S194-Q198 WeakPolarHBondContact O-CB 3.26Å; S194-Q198 VanDerWaalsContact O-CG 3.28Å; S194-Q198 WeakPolarHBondContact O-CG 3.12Å; S194-Q198 PolarHBondContact O-N 2.89Å; Q195-Q198 PolarHBondContact O-N 3.41Å; Q198-I201 PolarHBondContact O-N 2.85Å; Q198-K202 WeakPolarHBondContact O-CB 3.35Å; Q198-K202 PolarHBondContact O-N 2.98Å
199	K	95	Very high	94.5	Very high	90 Å²	90	47.4 Å²	47.4	39%	0.391	23%	0.233	S	C	.	.	H	α-helix	trans	-59.9	-44.6	170.9	-77.9	-176.9	170.7	-162.4	0	111.6	D44 Q195 A196 K197 K202 K203	D44-K199 IonicContact OD1-NZ 2.69Å; D44-K199 PolarHBondContact OD1-NZ 3.31Å; D44-K199 IonicContact OD2-NZ 2.87Å; D44-K199 PolarHBondContact OD2-NZ 3.38Å; Q195-K199 WeakPolarHBondContact O-CB 3.48Å; Q195-K199 WeakPolarHBondContact O-CG 3.32Å; Q195-K199 PolarHBondContact O-N 3.48Å; A196-K199 PolarHBondContact O-N 3.39Å; K197-K199 VanDerWaalsContact C-N 3.34Å; K197-K199 PolarHBondContact O-N 3Å; K199-K202 PolarHBondContact O-N 3.42Å; K199-K203 WeakPolarHBondContact O-CB 3.25Å; K199-K203 PolarHBondContact O-N 2.74Å
200	L	95.8	Very high	94.8	Very high	11 Å²	11	50.7 Å²	50.7	6%	0.058	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-48.3	177.6	178.5	62.7	0	0	0	111.7	E52 L55 L56 A196 K197 K202 K203 V204 L226	E52-L200 HydrophobicContact CB-CD1 4.12Å; E52-L200 HydrophobicContact CB-CD2 3.94Å; E52-L200 HydrophobicContact CG-CD1 3.9Å; E52-L200 HydrophobicContact CG-CD2 4.14Å; E52-L200 WeakPolarHBondContact OE1-CD1 3.47Å; L55-L200 HydrophobicContact CB-CD2 4.13Å; L55-L200 HydrophobicContact CD2-CD2 3.94Å; L55-L200 HydrophobicContact CG-CD2 4.33Å; L56-L200 HydrophobicContact CD2-CD2 3.78Å; L56-L200 HydrophobicContact CD2-CG 3.83Å; L56-L200 HydrophobicContact CG-CD2 4.06Å; L56-L200 HydrophobicContact CG-CG 4.45Å; A196-L200 PolarHBondContact O-N 2.89Å; K197-L200 WeakPolarHBondContact O-CB 3.48Å; K197-L200 PolarHBondContact O-N 3.34Å; K197-L200 VanDerWaalsContact O-N 3.17Å; L200-K202 PolarHBondContact O-N 3.04Å; L200-K203 WeakPolarHBondContact O-CB 3.25Å; L200-K203 PolarHBondContact O-N 2.98Å; L200-V204 PolarHBondContact O-N 2.63Å; L200-V204 VanDerWaalsContact O-N 3.12Å; L200-L226 HydrophobicContact CD1-CD2 3.7Å
201	I	96.4	Very high	95	Very high	14 Å²	14	59 Å²	59	7%	0.072	29%	0.286	C	S	.	.	H	α-helix	trans	-57.7	-49.8	176.4	-70.2	169.2	0	0	0	110.1	L56 K197 Q198 K203 V204 Q205 T239	L56-I201 HydrophobicContact CD2-CG1 3.95Å; K197-I201 HydrophobicContact CG-CD1 4.07Å; K197-I201 WeakPolarHBondContact O-CG1 3.13Å; K197-I201 PolarHBondContact O-N 3Å; Q198-I201 PolarHBondContact O-N 2.85Å; I201-K203 VanDerWaalsContact C-N 3.31Å; I201-K203 PolarHBondContact O-N 2.75Å; I201-V204 PolarHBondContact O-N 3.44Å; I201-V204 VanDerWaalsContact O-N 3.15Å; I201-Q205 HydrophobicContact CG2-CG 4.27Å; I201-Q205 WeakPolarHBondContact O-CG 3.39Å; I201-Q205 PolarHBondContact O-N 3.35Å; I201-T239 HydrophobicContact CG1-CG2 4.41Å
202	K	96.8	Very high	95.2	Very high	124 Å²	124	60 Å²	60	54%	0.539	29%	0.289	S	S	.	.	H	α-helix	trans	-61.8	-38.5	179.9	-173.1	166.9	-175.5	166.7	0	112.4	Q198 K199 L200 V204 Q205 D206	Q198-K202 WeakPolarHBondContact O-CB 3.35Å; Q198-K202 PolarHBondContact O-N 2.98Å; K199-K202 PolarHBondContact O-N 3.42Å; L200-K202 PolarHBondContact O-N 3.04Å; K202-V204 VanDerWaalsContact C-N 3.33Å; K202-V204 PolarHBondContact O-N 3.25Å; K202-Q205 PolarHBondContact O-N 3.4Å; K202-D206 VanDerWaalsContact O-CB 3.31Å; K202-D206 WeakPolarHBondContact O-CB 3.4Å; K202-D206 PolarHBondContact O-N 2.83Å
203	K	96.5	Very high	95.2	Very high	89 Å²	89	56.1 Å²	56.1	39%	0.387	27%	0.273	S	S	.	.	H	α-helix	trans	-60.2	-42.4	175.6	-174.9	-177.2	178.4	-176.3	0	111.7	K199 L200 I201 A207 L223	K199-K203 WeakPolarHBondContact O-CB 3.25Å; K199-K203 PolarHBondContact O-N 2.74Å; L200-K203 WeakPolarHBondContact O-CB 3.25Å; L200-K203 PolarHBondContact O-N 2.98Å; I201-K203 VanDerWaalsContact C-N 3.31Å; I201-K203 PolarHBondContact O-N 2.75Å; K203-A207 WeakPolarHBondContact O-CB 2.98Å; K203-A207 PolarHBondContact O-N 2.89Å; K203-L223 HydrophobicContact CD-CD1 4.33Å; K203-L223 HydrophobicContact CG-CD1 4.01Å; K203-L223 HydrophobicContact CG-CD2 4.27Å
204	V	97.6	Very high	95.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-67	-46.6	175.9	172.6	0	0	0	0	111	L56 L200 I201 K202 A207 V208 L226 I227 L236 T239 F240	L56-V204 HydrophobicContact CD1-CG2 4.32Å; L200-V204 PolarHBondContact O-N 2.63Å; L200-V204 VanDerWaalsContact O-N 3.12Å; I201-V204 PolarHBondContact O-N 3.44Å; I201-V204 VanDerWaalsContact O-N 3.15Å; K202-V204 VanDerWaalsContact C-N 3.33Å; K202-V204 PolarHBondContact O-N 3.25Å; V204-A207 WeakPolarHBondContact O-CB 3.34Å; V204-A207 PolarHBondContact O-N 3.4Å; V204-V208 PolarHBondContact O-N 3.38Å; V204-L226 HydrophobicContact CG2-CD2 3.69Å; V204-L226 HydrophobicContact CG2-CG 4.21Å; V204-I227 HydrophobicContact CG1-CG1 4.3Å; V204-L236 HydrophobicContact CG1-CD1 3.61Å; V204-T239 HydrophobicContact CG1-CG2 4.43Å; V204-F240 HydrophobicContact CG1-CE1 4.39Å
205	Q	98	Very high	95.2	Very high	31 Å²	31	61 Å²	61	15%	0.145	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-50.8	177.4	-70.3	173	-15.4	0	0	111.7	I201 K202 A207 V208 L209 T239 L243	I201-Q205 HydrophobicContact CG2-CG 4.27Å; I201-Q205 WeakPolarHBondContact O-CG 3.39Å; I201-Q205 PolarHBondContact O-N 3.35Å; K202-Q205 PolarHBondContact O-N 3.4Å; Q205-A207 VanDerWaalsContact C-N 3.26Å; Q205-A207 PolarHBondContact O-N 2.95Å; Q205-V208 CarbonylContact O-C 3.55Å; Q205-V208 WeakPolarHBondContact O-CG2 2.94Å; Q205-V208 PolarHBondContact O-N 2.91Å; Q205-V208 VanDerWaalsContact O-N 3.12Å; Q205-L209 HydrophobicContact CB-CD1 4.45Å; Q205-L209 VanDerWaalsContact O-CB 3.25Å; Q205-L209 WeakPolarHBondContact O-CB 3.28Å; Q205-L209 WeakPolarHBondContact O-CG 3.37Å; Q205-L209 PolarHBondContact O-N 3.49Å; Q205-T239 PolarHBondContact NE2-O 3.26Å; Q205-L243 HydrophobicContact CG-CD1 4.41Å; Q205-L243 HydrophobicContact CG-CD2 4.08Å; Q205-L243 HydrophobicContact CG-CG 4.48Å
206	D	97.4	Very high	95.2	Very high	35 Å²	35	55.3 Å²	55.3	19%	0.187	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-39	-179.8	-79.7	-22.6	0	0	0	111.3	K202 V208 L209 T210 R211	K202-D206 VanDerWaalsContact O-CB 3.31Å; K202-D206 WeakPolarHBondContact O-CB 3.4Å; K202-D206 PolarHBondContact O-N 2.83Å; D206-V208 VanDerWaalsContact C-N 3.28Å; D206-V208 PolarHBondContact O-N 3.28Å; D206-L209 CarbonylContact O-C 3.55Å; D206-L209 PolarHBondContact O-N 3.46Å; D206-T210 WeakPolarHBondContact CB-OG1 3.26Å; D206-T210 PolarHBondContact O-N 2.91Å; D206-T210 VanDerWaalsContact O-N 3.14Å; D206-T210 PolarHBondContact OD1-OG1 3.49Å; D206-R211 HydrophobicContact CB-CG 4.27Å; D206-R211 WeakPolarHBondContact O-CA 3.46Å; D206-R211 WeakPolarHBondContact O-CB 3.42Å; D206-R211 PolarHBondContact O-N 2.96Å
207	A	97.1	Very high	95.2	Very high	2 Å²	2	57 Å²	57	2%	0.017	27%	0.272	C	S	.	.	H	α-helix	trans	-59.7	-37.4	178.5	0	0	0	0	0	113.3	K203 V204 Q205 W212 L223 I227	K203-A207 WeakPolarHBondContact O-CB 2.98Å; K203-A207 PolarHBondContact O-N 2.89Å; V204-A207 WeakPolarHBondContact O-CB 3.34Å; V204-A207 PolarHBondContact O-N 3.4Å; Q205-A207 VanDerWaalsContact C-N 3.26Å; Q205-A207 PolarHBondContact O-N 2.95Å; A207-W212 WeakPolarHBondContact O-CA 2.91Å; A207-L223 HydrophobicContact CB-CD1 4.39Å; A207-L223 HydrophobicContact CB-CD2 3.73Å; A207-L223 HydrophobicContact CB-CG 4.03Å; A207-I227 HydrophobicContact CB-CD1 3.84Å
208	V	97	Very high	95.2	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-97.9	0.8	179	-57.9	0	0	0	0	113	V204 Q205 D206 I227 F240 A251 R254 V255	V204-V208 PolarHBondContact O-N 3.38Å; Q205-V208 CarbonylContact O-C 3.55Å; Q205-V208 WeakPolarHBondContact O-CG2 2.94Å; Q205-V208 PolarHBondContact O-N 2.91Å; Q205-V208 VanDerWaalsContact O-N 3.12Å; D206-V208 VanDerWaalsContact C-N 3.28Å; D206-V208 PolarHBondContact O-N 3.28Å; V208-I227 HydrophobicContact CG1-CD1 4.04Å; V208-I227 HydrophobicContact CG1-CG2 4.47Å; V208-F240 HydrophobicContact CG2-CE1 3.76Å; V208-F240 HydrophobicContact CG2-CZ 3.94Å; V208-A251 HydrophobicContact CG2-CB 3.72Å; V208-R254 WeakPolarHBondContact O-CD 3.21Å; V208-R254 PolarHBondContact O-NH1 3.01Å; V208-V255 HydrophobicContact CG1-CG2 4.07Å
209	L	97.4	Very high	95.1	Very high	22 Å²	22	61.5 Å²	61.5	12%	0.115	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-94	179.4	-65.3	177.1	0	0	0	111.3	Q205 D206 R211 W212 L243 D247 T250 A251 R254	Q205-L209 HydrophobicContact CB-CD1 4.45Å; Q205-L209 VanDerWaalsContact O-CB 3.25Å; Q205-L209 WeakPolarHBondContact O-CB 3.28Å; Q205-L209 WeakPolarHBondContact O-CG 3.37Å; Q205-L209 PolarHBondContact O-N 3.49Å; D206-L209 CarbonylContact O-C 3.55Å; D206-L209 PolarHBondContact O-N 3.46Å; L209-R211 PolarHBondContact O-N 3.28Å; L209-W212 WeakPolarHBondContact O-CB 3.22Å; L209-W212 PolarHBondContact O-N 2.73Å; L209-L243 HydrophobicContact CD1-CD1 4.04Å; L209-L243 HydrophobicContact CD1-CD2 3.93Å; L209-D247 HydrophobicContact CD1-CB 3.98Å; L209-D247 HydrophobicContact CD2-CB 4.14Å; L209-T250 HydrophobicContact CD2-CG2 4.11Å; L209-A251 HydrophobicContact CD2-CB 4.19Å; L209-R254 PolarHBondContact O-NH1 3.49Å
210	T	95.5	Very high	95.1	Very high	109 Å²	109	61.3 Å²	61.3	67%	0.669	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-29.3	-168.1	56.1	0	0	0	0	113.5	D206	D206-T210 WeakPolarHBondContact CB-OG1 3.26Å; D206-T210 PolarHBondContact O-N 2.91Å; D206-T210 VanDerWaalsContact O-N 3.14Å; D206-T210 PolarHBondContact OD1-OG1 3.49Å
211	R	95.2	Very high	95.1	Very high	183 Å²	183	63.8 Å²	63.8	69%	0.691	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	11.7	-179.6	-58.5	-175.7	179	-152.1	-1.2	113.1	D206 L209 T213	D206-R211 HydrophobicContact CB-CG 4.27Å; D206-R211 WeakPolarHBondContact O-CA 3.46Å; D206-R211 WeakPolarHBondContact O-CB 3.42Å; D206-R211 PolarHBondContact O-N 2.96Å; L209-R211 PolarHBondContact O-N 3.28Å; R211-T213 WeakPolarHBondContact O-CG2 3.45Å; R211-T213 PolarHBondContact O-N 2.78Å
212	W	95.7	Very high	95.1	Very high	39 Å²	39	65.3 Å²	65.3	15%	0.148	30%	0.304	C	S	.	.			trans	-60.8	138	178.3	176.4	-99.1	0	0	0	111.3	A207 L209 N214 I216 R254 L258	A207-W212 WeakPolarHBondContact O-CA 2.91Å; L209-W212 WeakPolarHBondContact O-CB 3.22Å; L209-W212 PolarHBondContact O-N 2.73Å; W212-N214 PolarHBondContact NE1-OD1 3.32Å; W212-I216 HydrophobicContact CH2-CD1 3.81Å; W212-I216 HydrophobicContact CZ2-CD1 4.17Å; W212-I216 HydrophobicContact CZ3-CD1 4.37Å; W212-R254 VanDerWaalsContact CB-CZ 3.49Å; W212-R254 HydrophobicContact CD2-CB 4.25Å; W212-R254 HydrophobicContact CD2-CG 3.91Å; W212-R254 HydrophobicContact CE3-CB 4.07Å; W212-R254 HydrophobicContact CE3-CG 4.25Å; W212-R254 HydrophobicContact CG-CG 4.38Å; W212-R254 VanDerWaalsContact CG-CZ 3.48Å; W212-R254 HydrophobicContact CH2-CB 3.91Å; W212-R254 HydrophobicContact CH2-CG 4.29Å; W212-R254 HydrophobicContact CZ2-CB 4.13Å; W212-R254 HydrophobicContact CZ2-CG 3.99Å; W212-R254 HydrophobicContact CZ3-CB 3.89Å; W212-R254 HydrophobicContact CZ3-CG 4.42Å; W212-L258 HydrophobicContact CH2-CD1 4.4Å; W212-L258 HydrophobicContact CH2-CD2 3.72Å; W212-L258 HydrophobicContact CH2-CG 3.85Å; W212-L258 HydrophobicContact CZ3-CD1 4.1Å; W212-L258 HydrophobicContact CZ3-CD2 4.04Å; W212-L258 HydrophobicContact CZ3-CG 4.07Å
213	T	92.9	Very high	95	Very high	43 Å²	43	60.3 Å²	60.3	26%	0.264	28%	0.283	S	S	.	.			trans	-131.8	144.6	171.5	95	0	0	0	0	109	R211 D215	R211-T213 WeakPolarHBondContact O-CG2 3.45Å; R211-T213 PolarHBondContact O-N 2.78Å; T213-D215 PolarHBondContact O-N 2.88Å; T213-D215 PolarHBondContact OG1-N 2.77Å; T213-D215 PolarHBondContact OG1-O 2.83Å
214	N	90.3	Very high	95	Very high	149 Å²	149	56.4 Å²	56.4	80%	0.797	27%	0.266	S	S	*	.	S	Bend	trans	-72.3	-13.7	177.2	-65	-30.5	0	0	0	112.8	W212	W212-N214 PolarHBondContact NE1-OD1 3.32Å
215	D	92	Very high	95.1	Very high	66 Å²	66	56.4 Å²	56.4	35%	0.353	27%	0.266	S	S	.	.			trans	-98.6	96.5	176	-179.1	7.2	0	0	0	109.4	T213 H217 R218	T213-D215 PolarHBondContact O-N 2.88Å; T213-D215 PolarHBondContact OG1-N 2.77Å; T213-D215 PolarHBondContact OG1-O 2.83Å; D215-H217 PolarHBondContact O-N 3Å; D215-H217 VanDerWaalsContact O-N 3.09Å; D215-H217 IonicContact OD1-CD2 3.8Å; D215-H217 PolarHBondContact OD1-N 3.28Å; D215-R218 HydrophobicContact CB-CG 4.02Å; D215-R218 WeakPolarHBondContact O-CB 3.2Å; D215-R218 PolarHBondContact O-N 3.24Å; D215-R218 WeakPolarHBondContact OD2-CG 3.33Å; D215-R218 IonicContact OD2-CZ 3.97Å; D215-R218 IonicContact OD2-NE 3.01Å; D215-R218 PolarHBondContact OD2-NE 2.78Å
216	I	92.8	Very high	95.1	Very high	15 Å²	15	55 Å²	55	8%	0.077	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-61.4	-22.9	-172.6	-56.3	-47.3	0	0	0	112.7	W212 R218 L219 L224 L258 L261 W277	W212-I216 HydrophobicContact CH2-CD1 3.81Å; W212-I216 HydrophobicContact CZ2-CD1 4.17Å; W212-I216 HydrophobicContact CZ3-CD1 4.37Å; I216-R218 PolarHBondContact O-N 2.74Å; I216-L219 HydrophobicContact CD1-CD1 4.26Å; I216-L219 WeakPolarHBondContact O-CB 3.36Å; I216-L219 PolarHBondContact O-N 3.47Å; I216-L219 VanDerWaalsContact O-N 3.14Å; I216-L224 HydrophobicContact CG2-CD1 3.87Å; I216-L224 HydrophobicContact CG2-CD2 3.59Å; I216-L224 HydrophobicContact CG2-CG 4.39Å; I216-L258 HydrophobicContact CD1-CD2 3.35Å; I216-L258 HydrophobicContact CG1-CD2 3.81Å; I216-L258 HydrophobicContact CG2-CD2 4.02Å; I216-L261 HydrophobicContact CG1-CD1 4.04Å; I216-L261 HydrophobicContact CG2-CD1 4.26Å; I216-W277 HydrophobicContact CG2-CH2 4.4Å
217	H	93.1	Very high	95.1	Very high	59 Å²	59	53.4 Å²	53.4	27%	0.273	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-73.2	-13.1	176.8	-67	-86.9	0	0	0	113.3	D215 E266 K269 W277	D215-H217 PolarHBondContact O-N 3Å; D215-H217 VanDerWaalsContact O-N 3.09Å; D215-H217 IonicContact OD1-CD2 3.8Å; D215-H217 PolarHBondContact OD1-N 3.28Å; H217-E266 IonicContact CD2-OE2 2.64Å; H217-E266 PolarHBondContact CD2-OE2 2.76Å; H217-E266 PolarHBondContact CE1-O 3.11Å; H217-E266 IonicContact CE1-OE2 3.52Å; H217-E266 IonicContact NE2-OE2 2.88Å; H217-E266 PolarHBondContact NE2-OE2 2.73Å; H217-K269 WeakPolarHBondContact NE2-CD 3.19Å; H217-W277 AromaticContact CE1-CZ2 3.79Å
218	R	92.5	Very high	95.1	Very high	194 Å²	194	53.5 Å²	53.5	73%	0.732	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-82	-16.3	171.5	-61.1	-178.4	-176.1	-153.5	-6.9	112.9	D215 I216	D215-R218 HydrophobicContact CB-CG 4.02Å; D215-R218 WeakPolarHBondContact O-CB 3.2Å; D215-R218 PolarHBondContact O-N 3.24Å; D215-R218 WeakPolarHBondContact OD2-CG 3.33Å; D215-R218 IonicContact OD2-CZ 3.97Å; D215-R218 IonicContact OD2-NE 3.01Å; D215-R218 PolarHBondContact OD2-NE 2.78Å; I216-R218 PolarHBondContact O-N 2.74Å
219	L	92.5	Very high	95.1	Very high	16 Å²	16	53.5 Å²	53.5	8%	0.084	25%	0.252	C	S	.	.	S	Bend	trans	-74.4	138.4	171.5	-68.6	170.6	0	0	0	109	I216 K221	I216-L219 HydrophobicContact CD1-CD1 4.26Å; I216-L219 WeakPolarHBondContact O-CB 3.36Å; I216-L219 PolarHBondContact O-N 3.47Å; I216-L219 VanDerWaalsContact O-N 3.14Å; L219-K221 PolarHBondContact O-N 3.09Å
220	D	93.8	Very high	95.1	Very high	87 Å²	87	52.4 Å²	52.4	47%	0.465	25%	0.246	S	C	.	.			trans	-53.7	129	171.4	166	53.2	0	0	0	110.1	R222 L223 L224	D220-R222 PolarHBondContact O-N 3.36Å; D220-R222 WeakPolarHBondContact OD2-CB 3.32Å; D220-R222 PolarHBondContact OD2-N 3.2Å; D220-L223 HydrophobicContact CB-CB 4.09Å; D220-L223 PolarHBondContact O-N 2.98Å; D220-L223 PolarHBondContact OD2-N 2.78Å; D220-L224 PolarHBondContact O-N 3.12Å
221	K	95.5	Very high	95.1	Very high	63 Å²	63	51 Å²	51	27%	0.274	23%	0.232	S	C	.	.	H	α-helix	trans	-57.3	-37.6	-174.6	-63.3	165.7	-163.9	161.9	0	110.9	L86 L219 A225 D271 M276	L86-K221 HydrophobicContact CD2-CB 4.04Å; L219-K221 PolarHBondContact O-N 3.09Å; K221-A225 WeakPolarHBondContact O-CB 3.46Å; K221-A225 PolarHBondContact O-N 3.28Å; K221-D271 WeakPolarHBondContact CE-O 3.5Å; K221-D271 PolarHBondContact NZ-O 2.84Å; K221-D271 IonicContact NZ-OD1 3.77Å; K221-D271 PolarHBondContact NZ-OD1 3.28Å; K221-D271 IonicContact NZ-OD2 3.85Å; K221-D271 PolarHBondContact NZ-OD2 2.69Å; K221-M276 HydrophobicContact CB-SD 4.18Å; K221-M276 VanDerWaalsContact O-SD 3.34Å
222	R	96.4	Very high	95.1	Very high	45 Å²	45	43.2 Å²	43.2	17%	0.17	21%	0.205	C	C	.	.	H	α-helix	trans	-69.8	-43.5	178.7	-175.8	-170.6	175.6	81.7	8.8	111.5	L47 T48 L49 E52 E83 L86 D220 A225 L226	L47-R222 PolarHBondContact O-NH2 2.73Å; T48-R222 VanDerWaalsContact CA-NH2 3.3Å; L49-R222 HydrophobicContact CD2-CG 3.82Å; L49-R222 HydrophobicContact CG-CG 4.29Å; E52-R222 IonicContact OE2-CZ 3.53Å; E52-R222 IonicContact OE2-NE 3.45Å; E52-R222 PolarHBondContact OE2-NE 3.4Å; E52-R222 IonicContact OE2-NH2 2.68Å; E52-R222 PolarHBondContact OE2-NH2 2.75Å; E83-R222 VanDerWaalsContact CD-NH1 3.29Å; E83-R222 IonicContact OE1-NH1 2.74Å; E83-R222 PolarHBondContact OE1-NH1 3.48Å; E83-R222 VanDerWaalsContact OE1-NH1 3.09Å; E83-R222 IonicContact OE2-CZ 2.97Å; E83-R222 IonicContact OE2-NH1 3.4Å; E83-R222 PolarHBondContact OE2-NH1 3.1Å; E83-R222 IonicContact OE2-NH2 3.22Å; L86-R222 HydrophobicContact CD1-CB 4.08Å; L86-R222 HydrophobicContact CD1-CG 4.41Å; D220-R222 PolarHBondContact O-N 3.36Å; D220-R222 WeakPolarHBondContact OD2-CB 3.32Å; D220-R222 PolarHBondContact OD2-N 3.2Å; R222-A225 PolarHBondContact O-N 2.88Å; R222-L226 WeakPolarHBondContact O-CB 3.47Å; R222-L226 PolarHBondContact O-N 3.09Å
223	L	96.5	Very high	95.1	Very high	20 Å²	20	41.4 Å²	41.4	11%	0.105	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-40.7	176	-174.6	52.2	0	0	0	112.3	K203 A207 D220 L226 I227	K203-L223 HydrophobicContact CD-CD1 4.33Å; K203-L223 HydrophobicContact CG-CD1 4.01Å; K203-L223 HydrophobicContact CG-CD2 4.27Å; A207-L223 HydrophobicContact CB-CD1 4.39Å; A207-L223 HydrophobicContact CB-CD2 3.73Å; A207-L223 HydrophobicContact CB-CG 4.03Å; D220-L223 HydrophobicContact CB-CB 4.09Å; D220-L223 PolarHBondContact O-N 2.98Å; D220-L223 PolarHBondContact OD2-N 2.78Å; L223-L226 HydrophobicContact CD1-CD2 4.29Å; L223-L226 WeakPolarHBondContact O-CB 3.41Å; L223-L226 PolarHBondContact O-N 3.29Å; L223-I227 HydrophobicContact CG-CD1 4.4Å; L223-I227 WeakPolarHBondContact O-CG1 3.29Å; L223-I227 PolarHBondContact O-N 2.79Å
224	L	96.9	Very high	95.2	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-59.5	-47	172.8	178.7	61.9	0	0	0	111.2	I216 D220 L226 I227 V228 L258 M276 W277 F280	I216-L224 HydrophobicContact CG2-CD1 3.87Å; I216-L224 HydrophobicContact CG2-CD2 3.59Å; I216-L224 HydrophobicContact CG2-CG 4.39Å; D220-L224 PolarHBondContact O-N 3.12Å; L224-L226 VanDerWaalsContact C-N 3.34Å; L224-L226 PolarHBondContact O-N 3.47Å; L224-I227 PolarHBondContact O-N 3.48Å; L224-V228 HydrophobicContact CD1-CG2 4.38Å; L224-V228 PolarHBondContact O-N 3.18Å; L224-V228 VanDerWaalsContact O-N 3.1Å; L224-L258 HydrophobicContact CD1-CD1 4.19Å; L224-L258 HydrophobicContact CD1-CD2 4.11Å; L224-M276 HydrophobicContact CD2-CE 4.1Å; L224-W277 HydrophobicContact CD2-CH2 3.91Å; L224-W277 HydrophobicContact CD2-CZ2 4.3Å; L224-F280 HydrophobicContact CD2-CE2 4.31Å; L224-F280 HydrophobicContact CG-CE2 4.17Å; L224-F280 HydrophobicContact CG-CZ 4.37Å
225	A	97.8	Very high	95.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-41.7	175.3	0	0	0	0	0	113	L49 V82 K221 R222 I227 V228 L229 M276 F280	L49-A225 HydrophobicContact CD1-CB 4.04Å; L49-A225 HydrophobicContact CD2-CB 4.46Å; V82-A225 HydrophobicContact CG1-CB 3.74Å; K221-A225 WeakPolarHBondContact O-CB 3.46Å; K221-A225 PolarHBondContact O-N 3.28Å; R222-A225 PolarHBondContact O-N 2.88Å; A225-I227 VanDerWaalsContact C-N 3.34Å; A225-I227 PolarHBondContact O-N 3.15Å; A225-V228 PolarHBondContact O-N 2.87Å; A225-L229 HydrophobicContact CB-CD1 4.35Å; A225-L229 WeakPolarHBondContact O-CB 3.27Å; A225-L229 WeakPolarHBondContact O-CD1 3.35Å; A225-L229 WeakPolarHBondContact O-CG 3.41Å; A225-L229 PolarHBondContact O-N 3.42Å; A225-M276 HydrophobicContact CB-CG 4.24Å; A225-M276 HydrophobicContact CB-SD 4.08Å; A225-F280 HydrophobicContact CB-CE1 4.24Å; A225-F280 HydrophobicContact CB-CZ 4.11Å
226	L	98.1	Very high	95.6	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-58.7	-45.7	176.1	175.9	60.9	0	0	0	111.4	L49 E52 V53 L56 L200 V204 R222 L223 L224 A230	L49-L226 HydrophobicContact CD2-CB 3.93Å; E52-L226 HydrophobicContact CB-CD1 3.66Å; E52-L226 HydrophobicContact CB-CD2 4.36Å; V53-L226 HydrophobicContact CG2-CD1 3.8Å; L56-L226 HydrophobicContact CD1-CD1 4.13Å; L200-L226 HydrophobicContact CD1-CD2 3.7Å; V204-L226 HydrophobicContact CG2-CD2 3.69Å; V204-L226 HydrophobicContact CG2-CG 4.21Å; R222-L226 WeakPolarHBondContact O-CB 3.47Å; R222-L226 PolarHBondContact O-N 3.09Å; L223-L226 HydrophobicContact CD1-CD2 4.29Å; L223-L226 WeakPolarHBondContact O-CB 3.41Å; L223-L226 PolarHBondContact O-N 3.29Å; L224-L226 VanDerWaalsContact C-N 3.34Å; L224-L226 PolarHBondContact O-N 3.47Å; L226-A230 WeakPolarHBondContact O-CB 3.41Å; L226-A230 PolarHBondContact O-N 3.24Å
227	I	97.8	Very high	95.6	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-52.2	-179.7	-65.9	161	0	0	0	110.8	V204 A207 V208 L223 L224 A225 A230 H231 L236 V255 L258	V204-I227 HydrophobicContact CG1-CG1 4.3Å; A207-I227 HydrophobicContact CB-CD1 3.84Å; V208-I227 HydrophobicContact CG1-CD1 4.04Å; V208-I227 HydrophobicContact CG1-CG2 4.47Å; L223-I227 HydrophobicContact CG-CD1 4.4Å; L223-I227 WeakPolarHBondContact O-CG1 3.29Å; L223-I227 PolarHBondContact O-N 2.79Å; L224-I227 PolarHBondContact O-N 3.48Å; A225-I227 VanDerWaalsContact C-N 3.34Å; A225-I227 PolarHBondContact O-N 3.15Å; I227-A230 PolarHBondContact O-N 3.26Å; I227-H231 PolarHBondContact O-N 2.85Å; I227-L236 HydrophobicContact CG2-CD2 4.19Å; I227-V255 HydrophobicContact CG2-CG2 4.16Å; I227-L258 HydrophobicContact CG2-CD1 4.11Å
228	V	97.5	Very high	95.6	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-65.4	-45	-176.9	178.3	0	0	0	0	110.9	L224 A225 H231 S232 L259 F280	L224-V228 HydrophobicContact CD1-CG2 4.38Å; L224-V228 PolarHBondContact O-N 3.18Å; L224-V228 VanDerWaalsContact O-N 3.1Å; A225-V228 PolarHBondContact O-N 2.87Å; V228-H231 WeakPolarHBondContact O-CB 3.37Å; V228-H231 PolarHBondContact O-N 3.25Å; V228-S232 PolarHBondContact O-N 3.49Å; V228-S232 PolarHBondContact O-OG 3.41Å; V228-S232 VanDerWaalsContact O-OG 3.13Å; V228-L259 HydrophobicContact CG1-CD2 4.25Å; V228-F280 HydrophobicContact CB-CD1 3.95Å; V228-F280 HydrophobicContact CB-CE1 3.78Å; V228-F280 HydrophobicContact CB-CE2 4.44Å; V228-F280 HydrophobicContact CB-CG 4.37Å; V228-F280 HydrophobicContact CB-CZ 4.04Å; V228-F280 HydrophobicContact CG1-CB 4.22Å; V228-F280 HydrophobicContact CG1-CD1 3.53Å; V228-F280 HydrophobicContact CG1-CD2 4.34Å; V228-F280 HydrophobicContact CG1-CE1 3.92Å; V228-F280 HydrophobicContact CG1-CG 3.78Å; V228-F280 HydrophobicContact CG1-CZ 4.47Å; V228-F280 HydrophobicContact CG2-CD2 4.33Å; V228-F280 HydrophobicContact CG2-CE1 4.31Å; V228-F280 HydrophobicContact CG2-CE2 4.09Å; V228-F280 HydrophobicContact CG2-CZ 4.08Å
229	L	97.7	Very high	95.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-70.6	-33.5	179.6	-69.7	163.8	0	0	0	112.4	V53 C79 V82 A225 H231 S232 S233 V279 F283	V53-L229 HydrophobicContact CG2-CB 4.41Å; C79-L229 HydrophobicContact CB-CD1 4.34Å; V82-L229 HydrophobicContact CB-CD1 4.29Å; V82-L229 HydrophobicContact CG2-CD1 3.99Å; A225-L229 HydrophobicContact CB-CD1 4.35Å; A225-L229 WeakPolarHBondContact O-CB 3.27Å; A225-L229 WeakPolarHBondContact O-CD1 3.35Å; A225-L229 WeakPolarHBondContact O-CG 3.41Å; A225-L229 PolarHBondContact O-N 3.42Å; L229-H231 VanDerWaalsContact C-N 3.3Å; L229-S232 PolarHBondContact O-N 2.74Å; L229-S233 WeakPolarHBondContact O-CB 3.42Å; L229-S233 PolarHBondContact O-N 3.18Å; L229-S233 PolarHBondContact O-OG 3.07Å; L229-V279 HydrophobicContact CD2-CG1 3.86Å; L229-F283 HydrophobicContact CD2-CD2 4.18Å; L229-F283 HydrophobicContact CD2-CE2 3.97Å
230	A	96.7	Very high	95.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.3	-36.1	172.3	0	0	0	0	0	111.5	V53 L56 L226 I227 S233 D234 V235 L236	V53-A230 HydrophobicContact CG2-CB 4.49Å; L56-A230 HydrophobicContact CD1-CB 3.94Å; L226-A230 WeakPolarHBondContact O-CB 3.41Å; L226-A230 PolarHBondContact O-N 3.24Å; I227-A230 PolarHBondContact O-N 3.26Å; A230-S233 PolarHBondContact O-N 3.16Å; A230-D234 PolarHBondContact O-N 3.43Å; A230-V235 HydrophobicContact CB-CG2 3.96Å; A230-V235 WeakPolarHBondContact O-CG2 3.23Å; A230-V235 PolarHBondContact O-N 3.06Å; A230-L236 HydrophobicContact CB-CB 4.03Å; A230-L236 HydrophobicContact CB-CD1 4.12Å; A230-L236 PolarHBondContact O-N 3.46Å; A230-L236 VanDerWaalsContact O-N 3.12Å
231	H	96.3	Very high	95.8	Very high	80 Å²	80	28 Å²	28	37%	0.37	15%	0.146	S	C	.	.	H	α-helix	trans	-64.7	-53.2	172.8	176.8	75	0	0	0	111	I227 V228 L229 S233 D234 L236 L259	I227-H231 PolarHBondContact O-N 2.85Å; V228-H231 WeakPolarHBondContact O-CB 3.37Å; V228-H231 PolarHBondContact O-N 3.25Å; L229-H231 VanDerWaalsContact C-N 3.3Å; H231-S233 PolarHBondContact O-N 2.96Å; H231-S233 VanDerWaalsContact O-N 3.15Å; H231-D234 PolarHBondContact O-N 3.32Å; H231-L236 HydrophobicContact CB-CB 4.37Å; H231-L236 HydrophobicContact CB-CD2 3.84Å; H231-L259 WeakPolarHBondContact CD2-CD1 3.3Å; H231-L259 WeakPolarHBondContact NE2-CD1 3.15Å
232	S	95.4	Very high	95.8	Very high	19 Å²	19	29.4 Å²	29.4	13%	0.133	16%	0.162	C	C	.	.	H	α-helix	trans	-61.9	-22.6	178	-54.8	0	0	0	0	113.5	V228 L229 F283	V228-S232 PolarHBondContact O-N 3.49Å; V228-S232 PolarHBondContact O-OG 3.41Å; V228-S232 VanDerWaalsContact O-OG 3.13Å; L229-S232 PolarHBondContact O-N 2.74Å; S232-F283 WeakPolarHBondContact OG-CB 3.36Å
233	S	95.2	Very high	95.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	0.3	175.6	-56.1	0	0	0	0	113.9	G75 L229 A230 H231 V235	G75-S233 WeakPolarHBondContact CA-OG 3.36Å; L229-S233 WeakPolarHBondContact O-CB 3.42Å; L229-S233 PolarHBondContact O-N 3.18Å; L229-S233 PolarHBondContact O-OG 3.07Å; A230-S233 PolarHBondContact O-N 3.16Å; H231-S233 PolarHBondContact O-N 2.96Å; H231-S233 VanDerWaalsContact O-N 3.15Å; S233-V235 VanDerWaalsContact C-N 3.31Å; S233-V235 PolarHBondContact O-N 3.19Å
234	D	93.9	Very high	95.8	Very high	106 Å²	106	29.9 Å²	29.9	57%	0.567	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	38.5	-177.5	-163.6	36.1	0	0	0	113.9	C71 A230 H231	C71-D234 HydrophobicContact CB-CB 4.27Å; A230-D234 PolarHBondContact O-N 3.43Å; H231-D234 PolarHBondContact O-N 3.32Å
235	V	94.7	Very high	95.9	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.042	21%	0.213	C	C	.	.			trans	-124.1	-8.3	178	-60.6	0	0	0	0	113.7	V53 L56 L72 A230 S233 E237 N238	V53-V235 HydrophobicContact CG1-CG2 3.93Å; L56-V235 HydrophobicContact CB-CB 4.46Å; L56-V235 HydrophobicContact CB-CG2 4.16Å; L72-V235 HydrophobicContact CD1-CG1 4.24Å; A230-V235 HydrophobicContact CB-CG2 3.96Å; A230-V235 WeakPolarHBondContact O-CG2 3.23Å; A230-V235 PolarHBondContact O-N 3.06Å; S233-V235 VanDerWaalsContact C-N 3.31Å; S233-V235 PolarHBondContact O-N 3.19Å; V235-E237 VanDerWaalsContact C-N 3.28Å; V235-E237 PolarHBondContact O-N 2.64Å; V235-N238 WeakPolarHBondContact O-CB 3.38Å; V235-N238 PolarHBondContact O-N 3.46Å; V235-N238 PolarHBondContact O-ND2 2.89Å
236	L	95.7	Very high	95.9	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.031	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-34.4	-179.9	-174.3	62.7	0	0	0	112.2	V204 I227 A230 H231 N238 T239 F240 V255	V204-L236 HydrophobicContact CG1-CD1 3.61Å; I227-L236 HydrophobicContact CG2-CD2 4.19Å; A230-L236 HydrophobicContact CB-CB 4.03Å; A230-L236 HydrophobicContact CB-CD1 4.12Å; A230-L236 PolarHBondContact O-N 3.46Å; A230-L236 VanDerWaalsContact O-N 3.12Å; H231-L236 HydrophobicContact CB-CB 4.37Å; H231-L236 HydrophobicContact CB-CD2 3.84Å; L236-N238 PolarHBondContact O-N 2.97Å; L236-T239 WeakPolarHBondContact O-CA 3.42Å; L236-T239 WeakPolarHBondContact O-CB 3.09Å; L236-T239 PolarHBondContact O-N 3.49Å; L236-T239 PolarHBondContact O-OG1 3.09Å; L236-F240 HydrophobicContact CD1-CE1 4.28Å; L236-F240 HydrophobicContact CD1-CE2 4.31Å; L236-F240 HydrophobicContact CD1-CZ 3.84Å; L236-F240 HydrophobicContact CD2-CE2 3.78Å; L236-F240 HydrophobicContact CD2-CZ 3.87Å; L236-F240 HydrophobicContact CG-CD2 4.39Å; L236-F240 HydrophobicContact CG-CE1 4.48Å; L236-F240 HydrophobicContact CG-CE2 3.67Å; L236-F240 HydrophobicContact CG-CZ 3.71Å; L236-V255 HydrophobicContact CD2-CG1 3.94Å; L236-V255 HydrophobicContact CD2-CG2 3.93Å
237	E	93.8	Very high	95.9	Very high	74 Å²	74	46.3 Å²	46.3	35%	0.346	27%	0.266	S	S	.	.	H	α-helix	trans	-58.8	-32.1	179.7	-175.2	58.8	-163.6	0	0	112.6	V235 T239 F240 S241 Y248	V235-E237 VanDerWaalsContact C-N 3.28Å; V235-E237 PolarHBondContact O-N 2.64Å; E237-T239 PolarHBondContact O-N 2.85Å; E237-T239 VanDerWaalsContact O-N 3.13Å; E237-F240 PolarHBondContact O-N 3.45Å; E237-S241 PolarHBondContact O-N 2.89Å; E237-Y248 VanDerWaalsContact CD-OH 3.28Å; E237-Y248 WeakPolarHBondContact OE1-CE2 3.3Å; E237-Y248 VanDerWaalsContact OE1-CZ 3.26Å; E237-Y248 PolarHBondContact OE1-OH 2.79Å; E237-Y248 PolarHBondContact OE2-OH 3.4Å
238	N	92.8	Very high	95.9	Very high	71 Å²	71	50 Å²	50	38%	0.38	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-27	175.2	-59	-33.4	0	0	0	112	L56 V235 L236 S241	L56-N238 WeakPolarHBondContact O-CB 3.32Å; L56-N238 PolarHBondContact O-ND2 3.37Å; L56-N238 VanDerWaalsContact O-ND2 3.1Å; V235-N238 WeakPolarHBondContact O-CB 3.38Å; V235-N238 PolarHBondContact O-N 3.46Å; V235-N238 PolarHBondContact O-ND2 2.89Å; L236-N238 PolarHBondContact O-N 2.97Å; N238-S241 PolarHBondContact O-OG 3.36Å
239	T	94.9	Very high	95.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-80.9	-25.1	176.8	74.9	0	0	0	0	112.9	L56 I201 V204 Q205 L236 E237	L56-T239 HydrophobicContact CB-CG2 4.38Å; L56-T239 HydrophobicContact CD1-CG2 3.92Å; L56-T239 HydrophobicContact CD2-CG2 3.54Å; L56-T239 HydrophobicContact CG-CG2 4.13Å; I201-T239 HydrophobicContact CG1-CG2 4.41Å; V204-T239 HydrophobicContact CG1-CG2 4.43Å; Q205-T239 PolarHBondContact NE2-O 3.26Å; L236-T239 WeakPolarHBondContact O-CA 3.42Å; L236-T239 WeakPolarHBondContact O-CB 3.09Å; L236-T239 PolarHBondContact O-N 3.49Å; L236-T239 PolarHBondContact O-OG1 3.09Å; E237-T239 PolarHBondContact O-N 2.85Å; E237-T239 VanDerWaalsContact O-N 3.13Å
240	F	96.2	Very high	96	Very high	2 Å²	2	59 Å²	59	1%	0.009	33%	0.326	C	S	.	.	H	α-helix	trans	-95.9	-25.7	-177.6	-58.9	-23.8	0	0	0	112.9	V204 V208 L236 E237 L243 Y248 A251 V255	V204-F240 HydrophobicContact CG1-CE1 4.39Å; V208-F240 HydrophobicContact CG2-CE1 3.76Å; V208-F240 HydrophobicContact CG2-CZ 3.94Å; L236-F240 HydrophobicContact CD1-CE1 4.28Å; L236-F240 HydrophobicContact CD1-CE2 4.31Å; L236-F240 HydrophobicContact CD1-CZ 3.84Å; L236-F240 HydrophobicContact CD2-CE2 3.78Å; L236-F240 HydrophobicContact CD2-CZ 3.87Å; L236-F240 HydrophobicContact CG-CD2 4.39Å; L236-F240 HydrophobicContact CG-CE1 4.48Å; L236-F240 HydrophobicContact CG-CE2 3.67Å; L236-F240 HydrophobicContact CG-CZ 3.71Å; E237-F240 PolarHBondContact O-N 3.45Å; F240-L243 HydrophobicContact CB-CD1 4.13Å; F240-L243 HydrophobicContact CD1-CD1 3.9Å; F240-L243 HydrophobicContact CG-CD1 4.31Å; F240-L243 VanDerWaalsContact O-CB 3.25Å; F240-L243 WeakPolarHBondContact O-CB 3.31Å; F240-L243 WeakPolarHBondContact O-CG 3.31Å; F240-L243 PolarHBondContact O-N 2.98Å; F240-Y248 HydrophobicContact CB-CD2 3.76Å; F240-Y248 HydrophobicContact CB-CE2 3.84Å; F240-A251 HydrophobicContact CD1-CB 4.15Å; F240-A251 HydrophobicContact CD2-CB 4.38Å; F240-A251 HydrophobicContact CE1-CB 4.05Å; F240-A251 HydrophobicContact CE2-CB 4.26Å; F240-A251 HydrophobicContact CG-CB 4.33Å; F240-A251 HydrophobicContact CZ-CB 4.11Å; F240-V255 HydrophobicContact CE2-CG2 3.9Å; F240-V255 HydrophobicContact CZ-CG2 3.82Å
241	S	93.1	Very high	96	Very high	82 Å²	82	59 Å²	59	57%	0.573	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-29.4	178	64.7	0	0	0	0	116.4	E237 N238	E237-S241 PolarHBondContact O-N 2.89Å; N238-S241 PolarHBondContact O-OG 3.36Å
242	P	93.9	Very high	96.1	Very high	93 Å²	93	56.6 Å²	56.6	60%	0.604	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.2	175.7	-11.7	31.4	0	0	0	114.9
243	L	97	Very high	96.2	Very high	29 Å²	29	63.1 Å²	63.1	15%	0.152	34%	0.342	C	S	.	.	S	Bend	trans	-74.5	155.8	179.8	-63.9	175	0	0	0	111	Q205 L209 F240 D247 A251	Q205-L243 HydrophobicContact CG-CD1 4.41Å; Q205-L243 HydrophobicContact CG-CD2 4.08Å; Q205-L243 HydrophobicContact CG-CG 4.48Å; L209-L243 HydrophobicContact CD1-CD1 4.04Å; L209-L243 HydrophobicContact CD1-CD2 3.93Å; F240-L243 HydrophobicContact CB-CD1 4.13Å; F240-L243 HydrophobicContact CD1-CD1 3.9Å; F240-L243 HydrophobicContact CG-CD1 4.31Å; F240-L243 VanDerWaalsContact O-CB 3.25Å; F240-L243 WeakPolarHBondContact O-CB 3.31Å; F240-L243 WeakPolarHBondContact O-CG 3.31Å; F240-L243 PolarHBondContact O-N 2.98Å; L243-D247 HydrophobicContact CB-CB 4.13Å; L243-D247 HydrophobicContact CD1-CB 4.42Å; L243-D247 HydrophobicContact CD2-CB 4.4Å; L243-A251 HydrophobicContact CD1-CB 4.21Å
244	G	97.5	Very high	96.3	Very high	45 Å²	45	66.2 Å²	66.2	46%	0.464	35%	0.353	S	S	.	.			trans	-72	158.9	167	0	0	0	0	0	111.5	D246 D247 Y248	G244-D246 VanDerWaalsContact C-N 3.33Å; G244-D246 PolarHBondContact O-N 3.28Å; G244-D247 PolarHBondContact O-N 3.25Å; G244-D247 VanDerWaalsContact O-N 3.09Å; G244-Y248 WeakPolarHBondContact O-CB 3.38Å; G244-Y248 PolarHBondContact O-N 3.05Å
245	D	97.5	Very high	96.5	Very high	143 Å²	143	61.4 Å²	61.4	77%	0.765	33%	0.328	S	S	*	.	H	α-helix	trans	-50.5	-45.8	-171.7	-63.9	-5.8	0	0	0	113.8	Y248 E249	D245-Y248 WeakPolarHBondContact O-CB 3.49Å; D245-Y248 PolarHBondContact O-N 3.09Å; D245-E249 PolarHBondContact O-N 2.98Å
246	D	98	Very high	96.6	Very high	130 Å²	130	68.6 Å²	68.6	70%	0.695	35%	0.354	S	S	*	.	H	α-helix	trans	-65	-43.3	-179.4	-67.1	-25.1	0	0	0	112.7	G244 T250	G244-D246 VanDerWaalsContact C-N 3.33Å; G244-D246 PolarHBondContact O-N 3.28Å; D246-T250 WeakPolarHBondContact O-CB 3.44Å; D246-T250 PolarHBondContact O-N 3.4Å; D246-T250 PolarHBondContact O-OG1 3.33Å
247	D	98.2	Very high	96.6	Very high	80 Å²	80	70.7 Å²	70.7	43%	0.428	37%	0.37	S	S	.	.	H	α-helix	trans	-69.5	-39.1	177.7	-81.2	-20.7	0	0	0	110.4	L209 L243 G244 T250 A251	L209-D247 HydrophobicContact CD1-CB 3.98Å; L209-D247 HydrophobicContact CD2-CB 4.14Å; L243-D247 HydrophobicContact CB-CB 4.13Å; L243-D247 HydrophobicContact CD1-CB 4.42Å; L243-D247 HydrophobicContact CD2-CB 4.4Å; G244-D247 PolarHBondContact O-N 3.25Å; G244-D247 VanDerWaalsContact O-N 3.09Å; D247-T250 PolarHBondContact O-N 3.18Å; D247-A251 VanDerWaalsContact O-CB 3.25Å; D247-A251 WeakPolarHBondContact O-CB 3.31Å; D247-A251 PolarHBondContact O-N 3.03Å
248	Y	98.3	Very high	96.6	Very high	81 Å²	81	67.3 Å²	67.3	32%	0.318	35%	0.354	S	S	.	.	H	α-helix	trans	-60	-47.6	175.8	179.1	-91	0	0	0	111.7	E237 F240 G244 D245 N252	E237-Y248 VanDerWaalsContact CD-OH 3.28Å; E237-Y248 WeakPolarHBondContact OE1-CE2 3.3Å; E237-Y248 VanDerWaalsContact OE1-CZ 3.26Å; E237-Y248 PolarHBondContact OE1-OH 2.79Å; E237-Y248 PolarHBondContact OE2-OH 3.4Å; F240-Y248 HydrophobicContact CB-CD2 3.76Å; F240-Y248 HydrophobicContact CB-CE2 3.84Å; G244-Y248 WeakPolarHBondContact O-CB 3.38Å; G244-Y248 PolarHBondContact O-N 3.05Å; D245-Y248 WeakPolarHBondContact O-CB 3.49Å; D245-Y248 PolarHBondContact O-N 3.09Å; Y248-N252 WeakPolarHBondContact CE1-ND2 3.38Å; Y248-N252 WeakPolarHBondContact O-CB 3.16Å; Y248-N252 PolarHBondContact O-N 2.69Å; Y248-N252 PolarHBondContact O-ND2 3.34Å
249	E	98	Very high	96.8	Very high	138 Å²	138	65.2 Å²	65.2	65%	0.645	34%	0.342	S	S	*	.	H	α-helix	trans	-65	-42.6	177.5	-171.8	176.3	-178.8	0	0	111.2	D245 N252 K253	D245-E249 PolarHBondContact O-N 2.98Å; E249-N252 PolarHBondContact O-N 3.38Å; E249-K253 WeakPolarHBondContact O-CB 3.5Å; E249-K253 PolarHBondContact O-N 3.24Å
250	T	98.1	Very high	96.8	Very high	53 Å²	53	72.8 Å²	72.8	33%	0.325	38%	0.378	S	S	.	.	H	α-helix	trans	-62.9	-46.1	178.5	-62.2	0	0	0	0	112	L209 D246 D247 K253 R254	L209-T250 HydrophobicContact CD2-CG2 4.11Å; D246-T250 WeakPolarHBondContact O-CB 3.44Å; D246-T250 PolarHBondContact O-N 3.4Å; D246-T250 PolarHBondContact O-OG1 3.33Å; D247-T250 PolarHBondContact O-N 3.18Å; T250-K253 PolarHBondContact O-N 2.97Å; T250-R254 WeakPolarHBondContact O-CG 3.11Å; T250-R254 PolarHBondContact O-N 2.93Å
251	A	98.2	Very high	96.8	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-59.8	-49.2	177.1	0	0	0	0	0	110.8	V208 L209 F240 L243 D247 K253 R254 V255	V208-A251 HydrophobicContact CG2-CB 3.72Å; L209-A251 HydrophobicContact CD2-CB 4.19Å; F240-A251 HydrophobicContact CD1-CB 4.15Å; F240-A251 HydrophobicContact CD2-CB 4.38Å; F240-A251 HydrophobicContact CE1-CB 4.05Å; F240-A251 HydrophobicContact CE2-CB 4.26Å; F240-A251 HydrophobicContact CG-CB 4.33Å; F240-A251 HydrophobicContact CZ-CB 4.11Å; L243-A251 HydrophobicContact CD1-CB 4.21Å; D247-A251 VanDerWaalsContact O-CB 3.25Å; D247-A251 WeakPolarHBondContact O-CB 3.31Å; D247-A251 PolarHBondContact O-N 3.03Å; A251-K253 PolarHBondContact O-N 2.89Å; A251-R254 PolarHBondContact O-N 3.17Å; A251-V255 WeakPolarHBondContact O-CG2 3.27Å; A251-V255 PolarHBondContact O-N 3.29Å
252	N	97.7	Very high	96.9	Very high	30 Å²	30	74.5 Å²	74.5	16%	0.16	38%	0.38	C	S	.	.	H	α-helix	trans	-60.6	-43.2	177.8	-89.1	-65.4	0	0	0	112.6	Y248 E249 R254 V255 R256	Y248-N252 WeakPolarHBondContact CE1-ND2 3.38Å; Y248-N252 WeakPolarHBondContact O-CB 3.16Å; Y248-N252 PolarHBondContact O-N 2.69Å; Y248-N252 PolarHBondContact O-ND2 3.34Å; E249-N252 PolarHBondContact O-N 3.38Å; N252-R254 VanDerWaalsContact C-N 3.33Å; N252-R254 PolarHBondContact O-N 3.25Å; N252-V255 PolarHBondContact O-N 2.79Å; N252-R256 WeakPolarHBondContact O-CG 3.39Å; N252-R256 PolarHBondContact O-N 3.04Å
253	K	97.7	Very high	97	Very high	155 Å²	155	70.1 Å²	70.1	67%	0.674	35%	0.352	S	S	*	.	H	α-helix	trans	-60.3	-43.4	176.6	-177.9	178.4	179.1	177.2	0	111.8	E249 T250 A251 R256 S257	E249-K253 WeakPolarHBondContact O-CB 3.5Å; E249-K253 PolarHBondContact O-N 3.24Å; T250-K253 PolarHBondContact O-N 2.97Å; A251-K253 PolarHBondContact O-N 2.89Å; K253-R256 PolarHBondContact O-N 3.42Å; K253-S257 PolarHBondContact O-N 2.77Å
254	R	97.4	Very high	96.8	Very high	65 Å²	65	70.8 Å²	70.8	25%	0.245	35%	0.354	C	S	.	.	H	α-helix	trans	-69.3	-41.9	179.3	-75.5	168	174.5	-179.6	-2	111.9	V208 L209 W212 T250 A251 N252 R256 S257 L258	V208-R254 WeakPolarHBondContact O-CD 3.21Å; V208-R254 PolarHBondContact O-NH1 3.01Å; L209-R254 PolarHBondContact O-NH1 3.49Å; W212-R254 VanDerWaalsContact CB-CZ 3.49Å; W212-R254 HydrophobicContact CD2-CB 4.25Å; W212-R254 HydrophobicContact CD2-CG 3.91Å; W212-R254 HydrophobicContact CE3-CB 4.07Å; W212-R254 HydrophobicContact CE3-CG 4.25Å; W212-R254 HydrophobicContact CG-CG 4.38Å; W212-R254 VanDerWaalsContact CG-CZ 3.48Å; W212-R254 HydrophobicContact CH2-CB 3.91Å; W212-R254 HydrophobicContact CH2-CG 4.29Å; W212-R254 HydrophobicContact CZ2-CB 4.13Å; W212-R254 HydrophobicContact CZ2-CG 3.99Å; W212-R254 HydrophobicContact CZ3-CB 3.89Å; W212-R254 HydrophobicContact CZ3-CG 4.42Å; T250-R254 WeakPolarHBondContact O-CG 3.11Å; T250-R254 PolarHBondContact O-N 2.93Å; A251-R254 PolarHBondContact O-N 3.17Å; N252-R254 VanDerWaalsContact C-N 3.33Å; N252-R254 PolarHBondContact O-N 3.25Å; R254-R256 PolarHBondContact O-N 3.16Å; R254-S257 PolarHBondContact O-N 3.06Å; R254-S257 PolarHBondContact O-OG 2.96Å; R254-L258 PolarHBondContact O-N 2.89Å
255	V	97.2	Very high	96.6	Very high	5 Å²	5	74.7 Å²	74.7	3%	0.03	36%	0.36	C	S	.	.	H	α-helix	trans	-58.9	-47.9	172.6	172.2	0	0	0	0	110.6	V208 I227 L236 F240 A251 N252 S257 L258 L259	V208-V255 HydrophobicContact CG1-CG2 4.07Å; I227-V255 HydrophobicContact CG2-CG2 4.16Å; L236-V255 HydrophobicContact CD2-CG1 3.94Å; L236-V255 HydrophobicContact CD2-CG2 3.93Å; F240-V255 HydrophobicContact CE2-CG2 3.9Å; F240-V255 HydrophobicContact CZ-CG2 3.82Å; A251-V255 WeakPolarHBondContact O-CG2 3.27Å; A251-V255 PolarHBondContact O-N 3.29Å; N252-V255 PolarHBondContact O-N 2.79Å; V255-S257 VanDerWaalsContact C-N 3.29Å; V255-S257 PolarHBondContact O-N 3.24Å; V255-L258 WeakPolarHBondContact O-CA 3.31Å; V255-L258 VanDerWaalsContact O-CB 3.31Å; V255-L258 WeakPolarHBondContact O-CB 3.49Å; V255-L258 PolarHBondContact O-N 3.41Å; V255-L259 HydrophobicContact CG1-CD1 4.1Å; V255-L259 HydrophobicContact CG1-CG 4.39Å; V255-L259 WeakPolarHBondContact O-CG 3.49Å; V255-L259 PolarHBondContact O-N 3.09Å; V255-L259 VanDerWaalsContact O-N 3.11Å
256	R	96.7	Very high	96.5	Very high	159 Å²	159	68.9 Å²	68.9	60%	0.6	33%	0.329	S	S	*	.	H	α-helix	trans	-54.9	-44.5	174.9	-72.6	178.2	-164.1	157.3	6.7	112.3	N252 K253 R254 L258 L259 E260	N252-R256 WeakPolarHBondContact O-CG 3.39Å; N252-R256 PolarHBondContact O-N 3.04Å; K253-R256 PolarHBondContact O-N 3.42Å; R254-R256 PolarHBondContact O-N 3.16Å; R256-L258 PolarHBondContact O-N 3.39Å; R256-L259 PolarHBondContact O-N 3.01Å; R256-E260 WeakPolarHBondContact O-CG 3.37Å; R256-E260 PolarHBondContact O-N 3.36Å
257	S	95.7	Very high	96.3	Very high	50 Å²	50	62.8 Å²	62.8	35%	0.35	30%	0.296	S	S	.	.	H	α-helix	trans	-62.2	-29.9	176.9	74.6	0	0	0	0	113.8	K253 R254 V255	K253-S257 PolarHBondContact O-N 2.77Å; R254-S257 PolarHBondContact O-N 3.06Å; R254-S257 PolarHBondContact O-OG 2.96Å; V255-S257 VanDerWaalsContact C-N 3.29Å; V255-S257 PolarHBondContact O-N 3.24Å
258	L	95.5	Very high	96	Very high	3 Å²	3	61.4 Å²	61.4	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-69.8	-38.4	172.8	-66.8	175.3	0	0	0	112	W212 I216 L224 I227 R254 V255 R256 E260 L261	W212-L258 HydrophobicContact CH2-CD1 4.4Å; W212-L258 HydrophobicContact CH2-CD2 3.72Å; W212-L258 HydrophobicContact CH2-CG 3.85Å; W212-L258 HydrophobicContact CZ3-CD1 4.1Å; W212-L258 HydrophobicContact CZ3-CD2 4.04Å; W212-L258 HydrophobicContact CZ3-CG 4.07Å; I216-L258 HydrophobicContact CD1-CD2 3.35Å; I216-L258 HydrophobicContact CG1-CD2 3.81Å; I216-L258 HydrophobicContact CG2-CD2 4.02Å; L224-L258 HydrophobicContact CD1-CD1 4.19Å; L224-L258 HydrophobicContact CD1-CD2 4.11Å; I227-L258 HydrophobicContact CG2-CD1 4.11Å; R254-L258 PolarHBondContact O-N 2.89Å; V255-L258 WeakPolarHBondContact O-CA 3.31Å; V255-L258 VanDerWaalsContact O-CB 3.31Å; V255-L258 WeakPolarHBondContact O-CB 3.49Å; V255-L258 PolarHBondContact O-N 3.41Å; R256-L258 PolarHBondContact O-N 3.39Å; L258-E260 VanDerWaalsContact C-N 3.3Å; L258-L261 HydrophobicContact CD2-CD1 4.24Å; L258-L261 WeakPolarHBondContact O-CB 3.24Å; L258-L261 WeakPolarHBondContact O-CD1 3.47Å; L258-L261 VanDerWaalsContact O-CG 3.25Å; L258-L261 WeakPolarHBondContact O-CG 3.48Å; L258-L261 PolarHBondContact O-N 3.34Å
259	L	96	Very high	95.6	Very high	26 Å²	26	61.6 Å²	61.6	14%	0.136	30%	0.303	C	S	.	.	H	α-helix	trans	-74.2	-24.9	-178.2	-57.4	174.5	0	0	0	112.2	V228 H231 V255 R256 L261 I284	V228-L259 HydrophobicContact CG1-CD2 4.25Å; H231-L259 WeakPolarHBondContact CD2-CD1 3.3Å; H231-L259 WeakPolarHBondContact NE2-CD1 3.15Å; V255-L259 HydrophobicContact CG1-CD1 4.1Å; V255-L259 HydrophobicContact CG1-CG 4.39Å; V255-L259 WeakPolarHBondContact O-CG 3.49Å; V255-L259 PolarHBondContact O-N 3.09Å; V255-L259 VanDerWaalsContact O-N 3.11Å; R256-L259 PolarHBondContact O-N 3.01Å; L259-L261 VanDerWaalsContact C-N 3.31Å; L259-I284 HydrophobicContact CD2-CD1 3.72Å; L259-I284 HydrophobicContact CD2-CG1 4.24Å
260	E	95.9	Very high	95.2	Very high	159 Å²	159	59.5 Å²	59.5	74%	0.743	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	0.6	177.6	-69.6	172.5	177.1	0	0	113.6	R256 L258	R256-E260 WeakPolarHBondContact O-CG 3.37Å; R256-E260 PolarHBondContact O-N 3.36Å; L258-E260 VanDerWaalsContact C-N 3.3Å
261	L	95.4	Very high	94.6	Very high	43 Å²	43	63.4 Å²	63.4	23%	0.225	33%	0.328	C	S	.	.	S	Bend	trans	-64.7	146.8	177.1	-65.6	172.5	0	0	0	111.9	I216 L258 L259 F263 E266	I216-L261 HydrophobicContact CG1-CD1 4.04Å; I216-L261 HydrophobicContact CG2-CD1 4.26Å; L258-L261 HydrophobicContact CD2-CD1 4.24Å; L258-L261 WeakPolarHBondContact O-CB 3.24Å; L258-L261 WeakPolarHBondContact O-CD1 3.47Å; L258-L261 VanDerWaalsContact O-CG 3.25Å; L258-L261 WeakPolarHBondContact O-CG 3.48Å; L258-L261 PolarHBondContact O-N 3.34Å; L259-L261 VanDerWaalsContact C-N 3.31Å; L261-F263 HydrophobicContact CB-CD1 4.07Å; L261-F263 HydrophobicContact CB-CE1 3.9Å; L261-F263 PolarHBondContact O-N 3.42Å; L261-F263 VanDerWaalsContact O-N 3.07Å; L261-E266 HydrophobicContact CB-CG 4.3Å
262	D	95.2	Very high	94.3	Very high	77 Å²	77	65 Å²	65	41%	0.412	34%	0.338	S	S	.	.			trans	-78	91.5	166.8	-174.7	-9	0	0	0	110.3	E264 Q265 E266	D262-E264 PolarHBondContact O-N 2.9Å; D262-E264 VanDerWaalsContact O-N 3.14Å; D262-E264 VanDerWaalsContact OD1-CB 3.31Å; D262-E264 WeakPolarHBondContact OD1-CB 3.29Å; D262-E264 PolarHBondContact OD1-N 3.03Å; D262-Q265 HydrophobicContact CB-CB 3.98Å; D262-Q265 WeakPolarHBondContact O-CB 3.42Å; D262-Q265 PolarHBondContact O-N 3.37Å; D262-Q265 PolarHBondContact OD1-N 2.96Å; D262-E266 WeakPolarHBondContact O-CG 3.45Å; D262-E266 PolarHBondContact O-N 3.33Å
263	F	95.4	Very high	94.2	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.009	34%	0.337	C	S	.	.	H	α-helix	trans	-58.1	-27.6	180	-54.1	-40.4	0	0	0	114	L102 L261 S267 W277 F280 D281 I284	L102-F263 HydrophobicContact CD1-CB 4.22Å; L102-F263 WeakPolarHBondContact CD1-O 3.42Å; L261-F263 HydrophobicContact CB-CD1 4.07Å; L261-F263 HydrophobicContact CB-CE1 3.9Å; L261-F263 PolarHBondContact O-N 3.42Å; L261-F263 VanDerWaalsContact O-N 3.07Å; F263-S267 WeakPolarHBondContact O-CB 2.98Å; F263-S267 PolarHBondContact O-N 3.49Å; F263-S267 PolarHBondContact O-OG 3.07Å; F263-W277 HydrophobicContact CB-CE3 4.21Å; F263-W277 AromaticContact CD1-CE3 3.68Å; F263-W277 HydrophobicContact CD1-CE3 3.68Å; F263-W277 AromaticContact CD1-CZ3 3.81Å; F263-W277 HydrophobicContact CD1-CZ3 3.81Å; F263-W277 HydrophobicContact CE1-CZ3 4.36Å; F263-W277 HydrophobicContact CG-CE3 4.27Å; F263-F280 HydrophobicContact CD1-CB 4.36Å; F263-F280 HydrophobicContact CD1-CD2 4.49Å; F263-F280 HydrophobicContact CD2-CB 3.98Å; F263-F280 HydrophobicContact CE1-CB 4.21Å; F263-F280 HydrophobicContact CE1-CD2 4.35Å; F263-F280 HydrophobicContact CE2-CB 3.81Å; F263-F280 HydrophobicContact CG-CB 4.26Å; F263-F280 HydrophobicContact CZ-CB 3.94Å; F263-D281 HydrophobicContact CD2-CB 4.11Å; F263-I284 HydrophobicContact CE2-CB 3.92Å; F263-I284 HydrophobicContact CE2-CG1 4Å; F263-I284 HydrophobicContact CE2-CG2 4.26Å; F263-I284 HydrophobicContact CZ-CB 4.49Å; F263-I284 HydrophobicContact CZ-CG1 4.2Å
264	E	93.5	Very high	94.1	Very high	42 Å²	42	59.6 Å²	59.6	20%	0.196	32%	0.316	C	S	.	.	H	α-helix	trans	-67.6	-42.5	176.8	-170.3	69.8	-140.2	0	0	110.4	R95 A101 L102 D262 S267	R95-E264 IonicContact CZ-OE1 3.71Å; R95-E264 IonicContact NH1-OE1 2.76Å; R95-E264 PolarHBondContact NH2-O 3.26Å; R95-E264 IonicContact NH2-OE1 3.6Å; A101-E264 WeakPolarHBondContact CA-OE2 3.07Å; L102-E264 WeakPolarHBondContact CG-OE2 3.32Å; L102-E264 PolarHBondContact N-OE2 3.35Å; D262-E264 PolarHBondContact O-N 2.9Å; D262-E264 VanDerWaalsContact O-N 3.14Å; D262-E264 VanDerWaalsContact OD1-CB 3.31Å; D262-E264 WeakPolarHBondContact OD1-CB 3.29Å; D262-E264 PolarHBondContact OD1-N 3.03Å; E264-S267 PolarHBondContact O-OG 3.01Å
265	Q	93.9	Very high	94.1	Very high	127 Å²	127	56.6 Å²	56.6	59%	0.593	31%	0.305	S	S	*	.	H	α-helix	trans	-69	-46.9	174.9	-174.4	178.5	7.4	0	0	111.3	D262 S267 G268	D262-Q265 HydrophobicContact CB-CB 3.98Å; D262-Q265 WeakPolarHBondContact O-CB 3.42Å; D262-Q265 PolarHBondContact O-N 3.37Å; D262-Q265 PolarHBondContact OD1-N 2.96Å; Q265-S267 VanDerWaalsContact C-N 3.32Å; Q265-S267 PolarHBondContact O-N 3.36Å; Q265-G268 PolarHBondContact O-N 2.94Å
266	E	94.8	Very high	94.2	Very high	21 Å²	21	56.5 Å²	56.5	10%	0.098	30%	0.304	C	S	.	.	H	α-helix	trans	-64.3	-36.3	-177.5	-65.9	-56.7	130.4	0	0	112.1	H217 L261 D262 G268 K269 W277	H217-E266 IonicContact CD2-OE2 2.64Å; H217-E266 PolarHBondContact CD2-OE2 2.76Å; H217-E266 PolarHBondContact CE1-O 3.11Å; H217-E266 IonicContact CE1-OE2 3.52Å; H217-E266 IonicContact NE2-OE2 2.88Å; H217-E266 PolarHBondContact NE2-OE2 2.73Å; L261-E266 HydrophobicContact CB-CG 4.3Å; D262-E266 WeakPolarHBondContact O-CG 3.45Å; D262-E266 PolarHBondContact O-N 3.33Å; E266-G268 PolarHBondContact O-N 3.37Å; E266-K269 PolarHBondContact O-N 3.5Å; E266-K269 IonicContact OE1-NZ 2.71Å; E266-K269 PolarHBondContact OE1-NZ 3.03Å; E266-K269 WeakPolarHBondContact OE2-CE 3.33Å; E266-K269 IonicContact OE2-NZ 3.98Å; E266-K269 PolarHBondContact OE2-NZ 3.28Å; E266-W277 HydrophobicContact CB-CD2 4.26Å; E266-W277 HydrophobicContact CB-CE3 4.02Å; E266-W277 HydrophobicContact CB-CH2 3.74Å; E266-W277 HydrophobicContact CB-CZ2 3.98Å; E266-W277 HydrophobicContact CB-CZ3 3.76Å; E266-W277 HydrophobicContact CG-CH2 4.36Å; E266-W277 HydrophobicContact CG-CZ3 4.35Å
267	S	94	Very high	94.2	Very high	2 Å²	2	49 Å²	49	1%	0.014	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.6	173.6	69.7	0	0	0	0	114.6	R95 F263 E264 Q265 K269 T272	R95-S267 PolarHBondContact NH2-OG 3.06Å; F263-S267 WeakPolarHBondContact O-CB 2.98Å; F263-S267 PolarHBondContact O-N 3.49Å; F263-S267 PolarHBondContact O-OG 3.07Å; E264-S267 PolarHBondContact O-OG 3.01Å; Q265-S267 VanDerWaalsContact C-N 3.32Å; Q265-S267 PolarHBondContact O-N 3.36Å; S267-K269 VanDerWaalsContact C-N 3.31Å; S267-T272 PolarHBondContact O-OG1 3.26Å
268	G	90.8	Very high	94.3	Very high	51 Å²	51	46.7 Å²	46.7	53%	0.526	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-9.7	177.5	0	0	0	0	0	113.9	Q265 E266	Q265-G268 PolarHBondContact O-N 2.94Å; E266-G268 PolarHBondContact O-N 3.37Å
269	K	91.5	Very high	94.4	Very high	86 Å²	86	46.6 Å²	46.6	37%	0.374	26%	0.259	S	S	.	.	S	Bend	trans	-76.3	155.7	179.4	-69.3	168.6	177.1	175.4	0	111.2	H217 E266 S267 T272	H217-K269 WeakPolarHBondContact NE2-CD 3.19Å; E266-K269 PolarHBondContact O-N 3.5Å; E266-K269 IonicContact OE1-NZ 2.71Å; E266-K269 PolarHBondContact OE1-NZ 3.03Å; E266-K269 WeakPolarHBondContact OE2-CE 3.33Å; E266-K269 IonicContact OE2-NZ 3.98Å; E266-K269 PolarHBondContact OE2-NZ 3.28Å; S267-K269 VanDerWaalsContact C-N 3.31Å; K269-T272 HydrophobicContact CB-CG2 4.11Å; K269-T272 WeakPolarHBondContact O-CG2 3.38Å; K269-T272 PolarHBondContact O-OG1 3.38Å
270	A	88	Confident	94.5	Very high	94 Å²	94	45.4 Å²	45.4	78%	0.777	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	153.3	-179.2	0	0	0	0	0	111.9	T272	A270-T272 VanDerWaalsContact C-N 3.28Å; A270-T272 PolarHBondContact O-N 3.42Å
271	D	86.7	Confident	94.6	Very high	134 Å²	134	38.3 Å²	38.3	72%	0.717	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	38.1	179.6	-172.1	34	0	0	0	114.5	K221	K221-D271 WeakPolarHBondContact CE-O 3.5Å; K221-D271 PolarHBondContact NZ-O 2.84Å; K221-D271 IonicContact NZ-OD1 3.77Å; K221-D271 PolarHBondContact NZ-OD1 3.28Å; K221-D271 IonicContact NZ-OD2 3.85Å; K221-D271 PolarHBondContact NZ-OD2 2.69Å
272	T	91.6	Very high	94.6	Very high	34 Å²	34	37.5 Å²	37.5	21%	0.209	22%	0.22	C	C	.	.			trans	-102.7	157.7	176.5	59	0	0	0	0	112.6	S267 K269 A270	S267-T272 PolarHBondContact O-OG1 3.26Å; K269-T272 HydrophobicContact CB-CG2 4.11Å; K269-T272 WeakPolarHBondContact O-CG2 3.38Å; K269-T272 PolarHBondContact O-OG1 3.38Å; A270-T272 VanDerWaalsContact C-N 3.28Å; A270-T272 PolarHBondContact O-N 3.42Å
273	C	95.3	Very high	94.7	Very high	19 Å²	19	36.2 Å²	36.2	13%	0.128	21%	0.211	C	C	.	.			trans	-96.1	96.4	168.6	-178.5	0	0	0	0	109.1	L86 I275 M276 W277	L86-C273 HydrophobicContact CD2-CB 4.02Å; C273-I275 PolarHBondContact O-N 3.02Å; C273-M276 HydrophobicContact CB-CB 4Å; C273-M276 VanDerWaalsContact O-CB 3.26Å; C273-M276 WeakPolarHBondContact O-CB 3.45Å; C273-M276 PolarHBondContact O-N 2.95Å; C273-W277 VanDerWaalsContact O-CD1 3.25Å; C273-W277 PolarHBondContact O-N 3.37Å
274	E	96.4	Very high	94.5	Very high	52 Å²	52	38.9 Å²	38.9	24%	0.243	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-30	-176.5	-60.2	-174	107.5	0	0	113.1	L92 R95 R105 M276 W277 A278	L92-E274 HydrophobicContact CB-CB 4.48Å; L92-E274 HydrophobicContact CD1-CB 3.85Å; L92-E274 WeakPolarHBondContact CD1-O 3.22Å; R95-E274 IonicContact NE-OE1 3.09Å; R95-E274 PolarHBondContact NE-OE1 2.73Å; R95-E274 IonicContact NH2-OE1 3.57Å; R105-E274 IonicContact CZ-OE1 2.64Å; R105-E274 IonicContact CZ-OE2 3.59Å; R105-E274 VanDerWaalsContact NH1-CD 3.29Å; R105-E274 IonicContact NH1-OE1 2.79Å; R105-E274 PolarHBondContact NH1-OE1 3.16Å; R105-E274 IonicContact NH1-OE2 2.73Å; R105-E274 VanDerWaalsContact NH2-CD 3.3Å; R105-E274 IonicContact NH2-OE1 3.18Å; R105-E274 PolarHBondContact NH2-OE1 3.26Å; R105-E274 IonicContact NH2-OE2 3.28Å; R105-E274 PolarHBondContact NH2-OE2 3.12Å; E274-M276 VanDerWaalsContact C-N 3.3Å; E274-M276 PolarHBondContact O-N 3.3Å; E274-W277 PolarHBondContact O-N 2.99Å; E274-A278 PolarHBondContact O-N 3.26Å
275	I	97.7	Very high	93.9	Very high	3 Å²	3	45 Å²	45	2%	0.015	25%	0.25	C	S	.	.	H	α-helix	trans	-59.4	-42	173.7	-74	-77.1	0	0	0	111.2	L81 I90 L92 V107 C273 A278 V279	L81-I275 WeakPolarHBondContact O-CG2 3.38Å; I90-I275 HydrophobicContact CD1-CD1 4.28Å; I90-I275 HydrophobicContact CD1-CG2 4.22Å; I90-I275 HydrophobicContact CG1-CD1 4.32Å; I90-I275 HydrophobicContact CG1-CG1 4.29Å; I90-I275 HydrophobicContact CG1-CG2 4.46Å; L92-I275 HydrophobicContact CB-CD1 4.49Å; L92-I275 HydrophobicContact CD2-CD1 3.8Å; L92-I275 HydrophobicContact CG-CD1 3.65Å; L92-I275 HydrophobicContact CG-CG1 4.08Å; V107-I275 HydrophobicContact CB-CD1 4.47Å; V107-I275 HydrophobicContact CG1-CD1 4.11Å; V107-I275 HydrophobicContact CG2-CD1 3.96Å; C273-I275 PolarHBondContact O-N 3.02Å; I275-A278 PolarHBondContact O-N 3.19Å; I275-V279 WeakPolarHBondContact O-CG2 3.37Å; I275-V279 PolarHBondContact O-N 3.02Å
276	M	97.8	Very high	93.9	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-49.3	178.7	-179.3	-175.6	76.1	0	0	110.9	V82 K221 L224 A225 C273 E274 A278 V279 F280	V82-M276 HydrophobicContact CG1-CB 4.09Å; V82-M276 HydrophobicContact CG1-CG 3.96Å; V82-M276 HydrophobicContact CG2-CG 4.49Å; K221-M276 HydrophobicContact CB-SD 4.18Å; K221-M276 VanDerWaalsContact O-SD 3.34Å; L224-M276 HydrophobicContact CD2-CE 4.1Å; A225-M276 HydrophobicContact CB-CG 4.24Å; A225-M276 HydrophobicContact CB-SD 4.08Å; C273-M276 HydrophobicContact CB-CB 4Å; C273-M276 VanDerWaalsContact O-CB 3.26Å; C273-M276 WeakPolarHBondContact O-CB 3.45Å; C273-M276 PolarHBondContact O-N 2.95Å; E274-M276 VanDerWaalsContact C-N 3.3Å; E274-M276 PolarHBondContact O-N 3.3Å; M276-A278 PolarHBondContact O-N 3.29Å; M276-V279 WeakPolarHBondContact O-CB 3.27Å; M276-V279 PolarHBondContact O-N 2.96Å; M276-V279 VanDerWaalsContact O-N 3.17Å; M276-F280 HydrophobicContact CE-CE2 4.1Å; M276-F280 HydrophobicContact CE-CZ 4.32Å; M276-F280 HydrophobicContact CG-CE1 3.71Å; M276-F280 HydrophobicContact CG-CE2 3.76Å; M276-F280 HydrophobicContact CG-CZ 3.26Å; M276-F280 VanDerWaalsContact O-CD1 3.29Å; M276-F280 WeakPolarHBondContact O-CD1 3.34Å; M276-F280 WeakPolarHBondContact O-CG 3.22Å; M276-F280 PolarHBondContact O-N 3.13Å; M276-F280 HydrophobicContact SD-CE2 4.22Å; M276-F280 HydrophobicContact SD-CZ 3.83Å
277	W	97.4	Very high	93.8	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.011	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-38.4	178.9	-62.7	110.3	0	0	0	112.9	L102 I216 H217 L224 F263 E266 C273 E274 V279 F280 D281	L102-W277 HydrophobicContact CD1-CB 3.99Å; I216-W277 HydrophobicContact CG2-CH2 4.4Å; H217-W277 AromaticContact CE1-CZ2 3.79Å; L224-W277 HydrophobicContact CD2-CH2 3.91Å; L224-W277 HydrophobicContact CD2-CZ2 4.3Å; F263-W277 HydrophobicContact CB-CE3 4.21Å; F263-W277 AromaticContact CD1-CE3 3.68Å; F263-W277 HydrophobicContact CD1-CE3 3.68Å; F263-W277 AromaticContact CD1-CZ3 3.81Å; F263-W277 HydrophobicContact CD1-CZ3 3.81Å; F263-W277 HydrophobicContact CE1-CZ3 4.36Å; F263-W277 HydrophobicContact CG-CE3 4.27Å; E266-W277 HydrophobicContact CB-CD2 4.26Å; E266-W277 HydrophobicContact CB-CE3 4.02Å; E266-W277 HydrophobicContact CB-CH2 3.74Å; E266-W277 HydrophobicContact CB-CZ2 3.98Å; E266-W277 HydrophobicContact CB-CZ3 3.76Å; E266-W277 HydrophobicContact CG-CH2 4.36Å; E266-W277 HydrophobicContact CG-CZ3 4.35Å; C273-W277 VanDerWaalsContact O-CD1 3.25Å; C273-W277 PolarHBondContact O-N 3.37Å; E274-W277 PolarHBondContact O-N 2.99Å; W277-V279 VanDerWaalsContact C-N 3.31Å; W277-V279 PolarHBondContact O-N 3.3Å; W277-F280 HydrophobicContact CD2-CD2 4.48Å; W277-F280 AromaticContact CE3-CD2 3.72Å; W277-F280 HydrophobicContact CE3-CD2 3.72Å; W277-F280 HydrophobicContact CE3-CE2 4.11Å; W277-F280 HydrophobicContact CZ3-CD2 4.03Å; W277-F280 HydrophobicContact CZ3-CE2 4.18Å; W277-F280 PolarHBondContact O-N 3.06Å; W277-D281 WeakPolarHBondContact O-CB 3.14Å; W277-D281 PolarHBondContact O-N 3.38Å
278	A	97.8	Very high	93.8	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-68.1	-29.7	174.4	0	0	0	0	0	113.2	L92 L102 V136 E274 I275 M276 A282	L92-A278 HydrophobicContact CD1-CB 3.56Å; L92-A278 HydrophobicContact CD2-CB 4.34Å; L92-A278 HydrophobicContact CG-CB 4.45Å; L102-A278 HydrophobicContact CB-CB 4.02Å; L102-A278 HydrophobicContact CD2-CB 4.13Å; V136-A278 HydrophobicContact CB-CB 4.42Å; V136-A278 HydrophobicContact CG2-CB 3.79Å; E274-A278 PolarHBondContact O-N 3.26Å; I275-A278 PolarHBondContact O-N 3.19Å; M276-A278 PolarHBondContact O-N 3.29Å; A278-A282 WeakPolarHBondContact O-CB 3.36Å; A278-A282 PolarHBondContact O-N 2.96Å; A278-A282 VanDerWaalsContact O-N 3.09Å
279	V	98.4	Very high	94	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.9	-43.3	170.7	172	0	0	0	0	110.2	L81 V82 V136 L229 I275 M276 W277 D281 A282 F283	L81-V279 HydrophobicContact CB-CG2 3.89Å; L81-V279 HydrophobicContact CD1-CG2 4.3Å; V82-V279 HydrophobicContact CG2-CB 3.75Å; V82-V279 HydrophobicContact CG2-CG1 3.83Å; V82-V279 HydrophobicContact CG2-CG2 3.8Å; V136-V279 HydrophobicContact CG1-CB 4.3Å; V136-V279 HydrophobicContact CG1-CG2 3.59Å; L229-V279 HydrophobicContact CD2-CG1 3.86Å; I275-V279 WeakPolarHBondContact O-CG2 3.37Å; I275-V279 PolarHBondContact O-N 3.02Å; M276-V279 WeakPolarHBondContact O-CB 3.27Å; M276-V279 PolarHBondContact O-N 2.96Å; M276-V279 VanDerWaalsContact O-N 3.17Å; W277-V279 VanDerWaalsContact C-N 3.31Å; W277-V279 PolarHBondContact O-N 3.3Å; V279-D281 VanDerWaalsContact C-N 3.35Å; V279-D281 PolarHBondContact O-N 3.2Å; V279-A282 PolarHBondContact O-N 3.4Å; V279-F283 HydrophobicContact CG1-CD2 3.9Å; V279-F283 HydrophobicContact CG1-CE2 3.79Å; V279-F283 VanDerWaalsContact O-CD2 3.29Å; V279-F283 WeakPolarHBondContact O-CD2 3.29Å; V279-F283 PolarHBondContact O-N 2.81Å
280	F	97.8	Very high	94.2	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.009	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-45.9	175.7	-58.4	-11.9	0	0	0	111.3	L224 A225 V228 F263 M276 W277 A282 F283 I284	L224-F280 HydrophobicContact CD2-CE2 4.31Å; L224-F280 HydrophobicContact CG-CE2 4.17Å; L224-F280 HydrophobicContact CG-CZ 4.37Å; A225-F280 HydrophobicContact CB-CE1 4.24Å; A225-F280 HydrophobicContact CB-CZ 4.11Å; V228-F280 HydrophobicContact CB-CD1 3.95Å; V228-F280 HydrophobicContact CB-CE1 3.78Å; V228-F280 HydrophobicContact CB-CE2 4.44Å; V228-F280 HydrophobicContact CB-CG 4.37Å; V228-F280 HydrophobicContact CB-CZ 4.04Å; V228-F280 HydrophobicContact CG1-CB 4.22Å; V228-F280 HydrophobicContact CG1-CD1 3.53Å; V228-F280 HydrophobicContact CG1-CD2 4.34Å; V228-F280 HydrophobicContact CG1-CE1 3.92Å; V228-F280 HydrophobicContact CG1-CG 3.78Å; V228-F280 HydrophobicContact CG1-CZ 4.47Å; V228-F280 HydrophobicContact CG2-CD2 4.33Å; V228-F280 HydrophobicContact CG2-CE1 4.31Å; V228-F280 HydrophobicContact CG2-CE2 4.09Å; V228-F280 HydrophobicContact CG2-CZ 4.08Å; F263-F280 HydrophobicContact CD1-CB 4.36Å; F263-F280 HydrophobicContact CD1-CD2 4.49Å; F263-F280 HydrophobicContact CD2-CB 3.98Å; F263-F280 HydrophobicContact CE1-CB 4.21Å; F263-F280 HydrophobicContact CE1-CD2 4.35Å; F263-F280 HydrophobicContact CE2-CB 3.81Å; F263-F280 HydrophobicContact CG-CB 4.26Å; F263-F280 HydrophobicContact CZ-CB 3.94Å; M276-F280 HydrophobicContact CE-CE2 4.1Å; M276-F280 HydrophobicContact CE-CZ 4.32Å; M276-F280 HydrophobicContact CG-CE1 3.71Å; M276-F280 HydrophobicContact CG-CE2 3.76Å; M276-F280 HydrophobicContact CG-CZ 3.26Å; M276-F280 VanDerWaalsContact O-CD1 3.29Å; M276-F280 WeakPolarHBondContact O-CD1 3.34Å; M276-F280 WeakPolarHBondContact O-CG 3.22Å; M276-F280 PolarHBondContact O-N 3.13Å; M276-F280 HydrophobicContact SD-CE2 4.22Å; M276-F280 HydrophobicContact SD-CZ 3.83Å; W277-F280 HydrophobicContact CD2-CD2 4.48Å; W277-F280 AromaticContact CE3-CD2 3.72Å; W277-F280 HydrophobicContact CE3-CD2 3.72Å; W277-F280 HydrophobicContact CE3-CE2 4.11Å; W277-F280 HydrophobicContact CZ3-CD2 4.03Å; W277-F280 HydrophobicContact CZ3-CE2 4.18Å; W277-F280 PolarHBondContact O-N 3.06Å; F280-A282 PolarHBondContact O-N 2.88Å; F280-F283 PolarHBondContact O-N 3.49Å; F280-F283 VanDerWaalsContact O-N 3.1Å; F280-I284 WeakPolarHBondContact O-CG1 3.44Å; F280-I284 PolarHBondContact O-N 3.36Å; F280-I284 VanDerWaalsContact O-N 3.09Å
281	D	96.9	Very high	94.6	Very high	9 Å²	9	37.6 Å²	37.6	5%	0.048	19%	0.192	C	C	.	.	H	α-helix	trans	-55.5	-40.5	175.7	-164.1	69.5	0	0	0	111.7	F263 W277 V279 F283 K285	F263-D281 HydrophobicContact CD2-CB 4.11Å; W277-D281 WeakPolarHBondContact O-CB 3.14Å; W277-D281 PolarHBondContact O-N 3.38Å; V279-D281 VanDerWaalsContact C-N 3.35Å; V279-D281 PolarHBondContact O-N 3.2Å; D281-F283 VanDerWaalsContact C-N 3.33Å; D281-F283 PolarHBondContact O-N 3.05Å; D281-K285 WeakPolarHBondContact O-CB 3.25Å; D281-K285 PolarHBondContact O-N 2.98Å; D281-K285 VanDerWaalsContact O-N 3.12Å; D281-K285 WeakPolarHBondContact OD1-CD 3.36Å; D281-K285 WeakPolarHBondContact OD1-CE 3.45Å; D281-K285 IonicContact OD1-NZ 3.29Å; D281-K285 PolarHBondContact OD1-NZ 3.11Å
282	A	96.8	Very high	95.2	Very high	27 Å²	27	30.7 Å²	30.7	22%	0.223	15%	0.154	C	C	.	.	H	α-helix	trans	-72.3	-17.3	179.8	0	0	0	0	0	115.4	V136 I140 A278 V279 F280	V136-A282 HydrophobicContact CG1-CB 4.15Å; I140-A282 HydrophobicContact CD1-CB 4.11Å; A278-A282 WeakPolarHBondContact O-CB 3.36Å; A278-A282 PolarHBondContact O-N 2.96Å; A278-A282 VanDerWaalsContact O-N 3.09Å; V279-A282 PolarHBondContact O-N 3.4Å; F280-A282 PolarHBondContact O-N 2.88Å
283	F	95.7	Very high	95.4	Very high	49 Å²	49	30.5 Å²	30.5	22%	0.215	15%	0.15	C	C	.	.	H	α-helix	trans	-99.5	-26.5	177.1	-82.5	-72.2	0	0	0	113.7	P74 I140 L229 S232 V279 F280 D281	P74-F283 HydrophobicContact CB-CE1 4.11Å; P74-F283 HydrophobicContact CB-CZ 4.35Å; P74-F283 WeakPolarHBondContact O-CZ 3.31Å; I140-F283 HydrophobicContact CD1-CD2 4.47Å; I140-F283 HydrophobicContact CD1-CE2 3.74Å; I140-F283 HydrophobicContact CD1-CZ 4.06Å; I140-F283 HydrophobicContact CG2-CZ 4.21Å; L229-F283 HydrophobicContact CD2-CD2 4.18Å; L229-F283 HydrophobicContact CD2-CE2 3.97Å; S232-F283 WeakPolarHBondContact OG-CB 3.36Å; V279-F283 HydrophobicContact CG1-CD2 3.9Å; V279-F283 HydrophobicContact CG1-CE2 3.79Å; V279-F283 VanDerWaalsContact O-CD2 3.29Å; V279-F283 WeakPolarHBondContact O-CD2 3.29Å; V279-F283 PolarHBondContact O-N 2.81Å; F280-F283 PolarHBondContact O-N 3.49Å; F280-F283 VanDerWaalsContact O-N 3.1Å; D281-F283 VanDerWaalsContact C-N 3.33Å; D281-F283 PolarHBondContact O-N 3.05Å
284	I	92	Very high	95.4	Very high	59 Å²	59	31.4 Å²	31.4	30%	0.303	15%	0.152	S	C	.	.	H	α-helix	trans	-102.3	-27.7	-171.4	-55.6	-54.7	0	0	0	112.2	L259 F263 F280	L259-I284 HydrophobicContact CD2-CD1 3.72Å; L259-I284 HydrophobicContact CD2-CG1 4.24Å; F263-I284 HydrophobicContact CE2-CB 3.92Å; F263-I284 HydrophobicContact CE2-CG1 4Å; F263-I284 HydrophobicContact CE2-CG2 4.26Å; F263-I284 HydrophobicContact CZ-CB 4.49Å; F263-I284 HydrophobicContact CZ-CG1 4.2Å; F280-I284 WeakPolarHBondContact O-CG1 3.44Å; F280-I284 PolarHBondContact O-N 3.36Å; F280-I284 VanDerWaalsContact O-N 3.09Å
285	K	80.7	Confident	95.4	Very high	170 Å²	170	29.5 Å²	29.5	74%	0.739	14%	0.144	S	C	*	.			trans	-104.1	0	176.2	-63	-170.5	-172.4	150.6	0	112	D281	D281-K285 WeakPolarHBondContact O-CB 3.25Å; D281-K285 PolarHBondContact O-N 2.98Å; D281-K285 VanDerWaalsContact O-N 3.12Å; D281-K285 WeakPolarHBondContact OD1-CD 3.36Å; D281-K285 WeakPolarHBondContact OD1-CE 3.45Å; D281-K285 IonicContact OD1-NZ 3.29Å; D281-K285 PolarHBondContact OD1-NZ 3.11Å

Retrieved 285 of 285 residues in 275.1 ms (Link to these results)

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