A0A087XB54_POEFO Loading...

Glutathione peroxidase

AlphaFold DB , UniProt , Accession A0A087XB54, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 259 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	52	Low	60.8	Low	200 Å²	200	141.3 Å²	141.3	99%	0.985	64%	0.641	S	S	*	*				0	-39.1	0	-142.3	163.9	75.7	0	0	113.3	V3 F4	M1-V3 PolarHBondContact O-N 3.2Å; M1-F4 PolarHBondContact O-N 3.47Å
2	Y	40.9	Very low	61.3	Low	204 Å²	204	140.3 Å²	140.3	80%	0.8	64%	0.635	S	S	*	*	H	α-helix	trans	-63.7	-35.3	-179.6	-116.9	-98.3	0	0	0	115.2	F4	Y2-F4 VanDerWaalsContact C-N 3.34Å; Y2-F4 PolarHBondContact O-N 3.24Å
3	V	53.2	Low	61.7	Low	97 Å²	97	138.8 Å²	138.8	59%	0.588	63%	0.627	S	S	*	*	H	α-helix	trans	-67.6	-35.7	-178.4	-177.2	0	0	0	0	111.6	M1 F5 I6 Y7	M1-V3 PolarHBondContact O-N 3.2Å; V3-F5 VanDerWaalsContact C-N 3.33Å; V3-F5 PolarHBondContact O-N 3.43Å; V3-I6 PolarHBondContact O-N 3.31Å; V3-Y7 HydrophobicContact CG1-CD2 3.79Å; V3-Y7 HydrophobicContact CG1-CE2 3.61Å; V3-Y7 WeakPolarHBondContact O-CD2 3.32Å; V3-Y7 PolarHBondContact O-N 3.41Å
4	F	63.7	Low	61	Low	153 Å²	153	139.6 Å²	139.6	67%	0.671	63%	0.629	S	S	*	*	H	α-helix	trans	-64.5	-35.8	-177.7	-161.7	-97.5	0	0	0	112.9	M1 Y2 L8	M1-F4 PolarHBondContact O-N 3.47Å; Y2-F4 VanDerWaalsContact C-N 3.34Å; Y2-F4 PolarHBondContact O-N 3.24Å; F4-L8 PolarHBondContact O-N 3.45Å
5	F	61.2	Low	60.9	Low	145 Å²	145	138 Å²	138	64%	0.636	63%	0.627	S	S	*	*	H	α-helix	trans	-71.4	-32	177.5	-84.9	-83.2	0	0	0	113.1	V3 F9	V3-F5 VanDerWaalsContact C-N 3.33Å; V3-F5 PolarHBondContact O-N 3.43Å; F5-F9 WeakPolarHBondContact O-CB 3.34Å; F5-F9 PolarHBondContact O-N 3.06Å
6	I	69.1	Low	60.6	Low	98 Å²	98	140.2 Å²	140.2	50%	0.503	64%	0.635	S	S	.	*	H	α-helix	trans	-68.7	-42.2	177.2	-62.8	171.5	0	0	0	110.2	V3 F9 I10	V3-I6 PolarHBondContact O-N 3.31Å; I6-F9 PolarHBondContact O-N 3.18Å; I6-I10 HydrophobicContact CG2-CD1 3.87Å; I6-I10 WeakPolarHBondContact O-CG1 3.42Å; I6-I10 PolarHBondContact O-N 3.36Å; I6-I10 VanDerWaalsContact O-N 3.07Å
7	Y	58.4	Low	60.2	Low	173 Å²	173	139.4 Å²	139.4	68%	0.678	63%	0.632	S	S	*	*	H	α-helix	trans	-64.9	-40.1	176.6	-85.3	-83.2	0	0	0	112.7	V3 Y11	V3-Y7 HydrophobicContact CG1-CD2 3.79Å; V3-Y7 HydrophobicContact CG1-CE2 3.61Å; V3-Y7 WeakPolarHBondContact O-CD2 3.32Å; V3-Y7 PolarHBondContact O-N 3.41Å; Y7-Y11 WeakPolarHBondContact O-CB 3.33Å; Y7-Y11 PolarHBondContact O-N 3.45Å; Y7-Y11 VanDerWaalsContact O-N 3.1Å
8	L	70.9	Confident	59.6	Low	82 Å²	82	134.6 Å²	134.6	43%	0.429	63%	0.627	S	S	.	*	H	α-helix	trans	-66.5	-38.7	177.3	-151	75.7	0	0	0	111.5	F4 Y11 F12	F4-L8 PolarHBondContact O-N 3.45Å; L8-Y11 PolarHBondContact O-N 3.36Å; L8-F12 HydrophobicContact CD1-CE2 4.4Å; L8-F12 HydrophobicContact CG-CD2 4.15Å; L8-F12 HydrophobicContact CG-CE2 4.1Å; L8-F12 WeakPolarHBondContact O-CD2 3.28Å; L8-F12 PolarHBondContact O-N 3.35Å; L8-F12 VanDerWaalsContact O-N 3.11Å
9	F	69.8	Low	58.9	Low	157 Å²	157	133.4 Å²	133.4	69%	0.689	63%	0.632	S	S	*	*	H	α-helix	trans	-67.1	-43.2	178.8	-166.8	-96.4	0	0	0	112.7	F5 I6 F12 F13	F5-F9 WeakPolarHBondContact O-CB 3.34Å; F5-F9 PolarHBondContact O-N 3.06Å; I6-F9 PolarHBondContact O-N 3.18Å; F9-F12 PolarHBondContact O-N 3.07Å; F9-F13 WeakPolarHBondContact O-CB 3.4Å; F9-F13 PolarHBondContact O-N 3.23Å
10	I	63.7	Low	58.7	Low	91 Å²	91	135.1 Å²	135.1	47%	0.467	65%	0.646	S	S	.	*	H	α-helix	trans	-65	-40.6	177.4	-65.9	168.2	0	0	0	110.9	I6 F13 F14	I6-I10 HydrophobicContact CG2-CD1 3.87Å; I6-I10 WeakPolarHBondContact O-CG1 3.42Å; I6-I10 PolarHBondContact O-N 3.36Å; I6-I10 VanDerWaalsContact O-N 3.07Å; I10-F13 PolarHBondContact O-N 3.41Å; I10-F14 HydrophobicContact CG2-CD2 4.39Å; I10-F14 PolarHBondContact O-N 3.2Å
11	Y	66.1	Low	57.9	Low	154 Å²	154	136 Å²	136	60%	0.604	65%	0.653	S	S	*	*	H	α-helix	trans	-63.2	-44.6	178.8	-173.5	-100.4	0	0	0	112.4	Y7 L8 L15	Y7-Y11 WeakPolarHBondContact O-CB 3.33Å; Y7-Y11 PolarHBondContact O-N 3.45Å; Y7-Y11 VanDerWaalsContact O-N 3.1Å; L8-Y11 PolarHBondContact O-N 3.36Å; Y11-L15 HydrophobicContact CD1-CD1 3.88Å; Y11-L15 HydrophobicContact CE1-CD1 3.46Å; Y11-L15 VanDerWaalsContact CE1-CD1 3.46Å; Y11-L15 PolarHBondContact O-N 3.48Å
12	F	67.3	Low	57.6	Low	129 Å²	129	130.7 Å²	130.7	57%	0.566	64%	0.642	S	S	*	*	H	α-helix	trans	-73	-31	177.2	-86.1	-75.6	0	0	0	113.6	L8 F9 L15 K16	L8-F12 HydrophobicContact CD1-CE2 4.4Å; L8-F12 HydrophobicContact CG-CD2 4.15Å; L8-F12 HydrophobicContact CG-CE2 4.1Å; L8-F12 WeakPolarHBondContact O-CD2 3.28Å; L8-F12 PolarHBondContact O-N 3.35Å; L8-F12 VanDerWaalsContact O-N 3.11Å; F9-F12 PolarHBondContact O-N 3.07Å; F12-L15 PolarHBondContact O-N 2.99Å; F12-K16 PolarHBondContact O-N 3.11Å
13	F	65.5	Low	57.9	Low	121 Å²	121	126 Å²	126	53%	0.531	64%	0.636	S	S	.	*	H	α-helix	trans	-63.3	-42	175.7	-174.4	-96.6	0	0	0	111.9	F9 I10 K16 H17	F9-F13 WeakPolarHBondContact O-CB 3.4Å; F9-F13 PolarHBondContact O-N 3.23Å; I10-F13 PolarHBondContact O-N 3.41Å; F13-K16 PolarHBondContact O-N 3.48Å; F13-H17 AromaticContact CE2-CD2 3.94Å; F13-H17 PolarHBondContact O-N 3.3Å
14	F	51.9	Low	56.9	Low	150 Å²	150	130.2 Å²	130.2	66%	0.658	64%	0.643	S	S	*	*	H	α-helix	trans	-70.7	-35	177.9	-99.5	-87.9	0	0	0	113.7	I10 K16 G18	I10-F14 HydrophobicContact CG2-CD2 4.39Å; I10-F14 PolarHBondContact O-N 3.2Å; F14-K16 VanDerWaalsContact C-N 3.28Å; F14-K16 PolarHBondContact O-N 3.32Å; F14-G18 PolarHBondContact O-N 3.19Å
15	L	59.3	Low	55.7	Low	116 Å²	116	131.5 Å²	131.5	61%	0.607	66%	0.656	S	S	*	*	H	α-helix	trans	-67	-28.6	175.6	-89.1	160.3	0	0	0	113	Y11 F12	Y11-L15 HydrophobicContact CD1-CD1 3.88Å; Y11-L15 HydrophobicContact CE1-CD1 3.46Å; Y11-L15 VanDerWaalsContact CE1-CD1 3.46Å; Y11-L15 PolarHBondContact O-N 3.48Å; F12-L15 PolarHBondContact O-N 2.99Å
16	K	57.3	Low	54.6	Low	173 Å²	173	130.9 Å²	130.9	75%	0.752	66%	0.659	S	S	*	*	H	α-helix	trans	-93.2	-21.8	-176.3	-155.2	175.7	-177.2	-178.1	0	114.2	F12 F13 F14	F12-K16 PolarHBondContact O-N 3.11Å; F13-K16 PolarHBondContact O-N 3.48Å; F14-K16 VanDerWaalsContact C-N 3.28Å; F14-K16 PolarHBondContact O-N 3.32Å
17	H	53.1	Low	52.9	Low	127 Å²	127	129 Å²	129	59%	0.588	66%	0.664	S	S	*	*	H	α-helix	trans	-126.9	22.6	-172.3	-66.5	-65.1	0	0	0	115	F13	F13-H17 AromaticContact CE2-CD2 3.94Å; F13-H17 PolarHBondContact O-N 3.3Å
18	G	49.9	Very low	51.8	Low	52 Å²	52	130.2 Å²	130.2	54%	0.536	68%	0.675	S	S	.	*			trans	-53	142.8	174.3	0	0	0	0	0	112.8	F14 N20	F14-G18 PolarHBondContact O-N 3.19Å; G18-N20 PolarHBondContact O-N 3.08Å
19	P	46.3	Very low	50.4	Low	112 Å²	112	137.4 Å²	137.4	73%	0.727	70%	0.697	S	S	*	*			trans	-73.4	121.9	-167.4	29.2	-33.6	0	0	0	111.5	L21	P19-L21 HydrophobicContact CB-CD1 4.03Å
20	N	54.9	Low	48.7	Very low	168 Å²	168	139.2 Å²	139.2	90%	0.898	71%	0.705	S	S	*	*			trans	-80.2	110.6	167.1	-143.3	-14.6	0	0	0	107.3	G18	G18-N20 PolarHBondContact O-N 3.08Å
21	L	42.6	Very low	47.3	Very low	153 Å²	153	139.8 Å²	139.8	80%	0.801	72%	0.716	S	S	*	*			trans	-133.4	84.1	-177.7	-90.2	155.9	0	0	0	111.2	P19	P19-L21 HydrophobicContact CB-CD1 4.03Å
22	A	43.7	Very low	45.8	Very low	90 Å²	90	143.8 Å²	143.8	74%	0.744	73%	0.73	S	S	*	*			trans	-109.9	136.8	139.1	0	0	0	0	0	105.7
23	P	48	Very low	45.1	Very low	106 Å²	106	142 Å²	142	69%	0.688	73%	0.731	S	S	*	*				-160.4	172.3	86.8	39.5	-17.8	0	0	0	117.9
24	Y	33.3	Very low	43.7	Very low	184 Å²	184	143.1 Å²	143.1	72%	0.722	74%	0.743	S	S	*	*			trans	72.7	107.8	139.6	-103.9	-110.7	0	0	0	122.2
25	L	38.3	Very low	42.8	Very low	180 Å²	180	141.1 Å²	141.1	94%	0.942	75%	0.747	S	S	*	*			trans	-131.7	109.3	134.9	-74.1	176.9	0	0	0	109.5
26	N	36.7	Very low	41.6	Very low	133 Å²	133	141.9 Å²	141.9	71%	0.711	75%	0.751	S	S	*	*			trans	-64.9	151.9	158.4	-100	-24.2	0	0	0	108.4
27	G	33.8	Very low	40.5	Very low	59 Å²	59	142.7 Å²	142.7	61%	0.608	75%	0.75	S	S	*	*			cis	124.3	106.2	25	0	0	0	0	0	108.6
28	H	34.7	Very low	39.7	Very low	198 Å²	198	143.1 Å²	143.1	92%	0.917	76%	0.756	S	S	*	*			trans	-143.1	138.4	157.6	-99.7	-70.4	0	0	0	111.2
29	R	42	Very low	39	Very low	232 Å²	232	146.8 Å²	146.8	88%	0.875	76%	0.763	S	S	*	*			trans	-78.7	157.7	-158.9	-46.5	170.3	-164	178.2	3.9	113.8
30	K	34.6	Very low	38.8	Very low	196 Å²	196	146.4 Å²	146.4	85%	0.852	76%	0.763	S	S	*	*				-173.9	126.1	108.5	-105.5	175.8	-179.2	-179.4	0	113.8
31	S	34	Very low	37.9	Very low	102 Å²	102	142.1 Å²	142.1	71%	0.713	76%	0.759	S	S	*	*			trans	45.6	106.3	140.4	53.2	0	0	0	0	121.6
32	R	34.4	Very low	37.9	Very low	238 Å²	238	145.7 Å²	145.7	90%	0.898	76%	0.762	S	S	*	*				35.2	158.3	116.9	-85	-160.7	-154	-145.2	8.7	120.4
33	P	53.3	Low	37.5	Very low	91 Å²	91	150.7 Å²	150.7	59%	0.591	77%	0.77	S	S	*	*			cis	-142.7	-179.8	-10.9	37	-15.3	0	0	0	116.3
34	D	35.8	Very low	37.3	Very low	145 Å²	145	155.6 Å²	155.6	78%	0.775	78%	0.775	S	S	*	*			trans	93	136	140.2	-69.1	-22.3	0	0	0	123.1
35	C	32.7	Very low	38	Very low	108 Å²	108	152.5 Å²	152.5	73%	0.73	78%	0.777	S	S	*	*			trans	80.6	139.1	155	-65.8	0	0	0	0	117.6
36	L	34.4	Very low	37.9	Very low	133 Å²	133	147.3 Å²	147.3	70%	0.696	77%	0.767	S	S	*	*			cis	-175.3	141.7	-2.8	-110.7	165.7	0	0	0	104.8
37	Y	34.6	Very low	38.4	Very low	189 Å²	189	150.5 Å²	150.5	74%	0.741	78%	0.775	S	S	*	*			trans	63.8	132.5	136.6	-95	-129.1	0	0	0	123
38	L	35.9	Very low	38.8	Very low	136 Å²	136	152.5 Å²	152.5	71%	0.712	78%	0.778	S	S	*	*			trans	77.4	146.6	139.3	-67.1	172.3	0	0	0	117.9
39	D	35.4	Very low	39.6	Very low	129 Å²	129	151.3 Å²	151.3	69%	0.69	78%	0.777	S	S	*	*			cis	-159.6	164.9	-5	-147.7	-29.6	0	0	0	107
40	S	41	Very low	39.5	Very low	104 Å²	104	143.9 Å²	143.9	73%	0.727	76%	0.76	S	S	*	*			trans	-4.9	141.7	154.6	50.1	0	0	0	0	120.9
41	G	37.1	Very low	40.2	Very low	78 Å²	78	143.8 Å²	143.8	80%	0.804	76%	0.761	S	S	*	*			trans	159.6	97.2	154	0	0	0	0	0	116.3
42	W	41.4	Very low	40.6	Very low	228 Å²	228	145 Å²	145	86%	0.864	76%	0.759	S	S	*	*			trans	-63.9	125.5	163.2	-95.9	77	0	0	0	111.7	R44	W42-R44 HydrophobicContact CZ3-CG 4.46Å
43	Q	36.2	Very low	41.6	Very low	195 Å²	195	138.6 Å²	138.6	91%	0.911	76%	0.757	S	S	*	*			trans	-146.1	136.6	147.6	-74.3	-165.5	-27.7	0	0	111.8
44	R	44.2	Very low	41.7	Very low	210 Å²	210	138.5 Å²	138.5	79%	0.792	76%	0.758	S	S	*	*			trans	-83	-171.3	178.7	-53.6	-175.7	-178.9	-154.4	0.9	111.7	W42	W42-R44 HydrophobicContact CZ3-CG 4.46Å
45	P	48.4	Very low	42.5	Very low	118 Å²	118	136.4 Å²	136.4	77%	0.766	75%	0.746	S	S	*	*				-96	116.1	-114.3	31.2	-10	0	0	0	111.9
46	G	36.2	Very low	43.9	Very low	71 Å²	71	133.8 Å²	133.8	73%	0.732	73%	0.73	S	S	*	*			trans	-93.1	112.4	156.9	0	0	0	0	0	107.8	P48	G46-P48 VanDerWaalsContact O-CD 3.28Å; G46-P48 WeakPolarHBondContact O-CD 3.46Å
47	F	46.5	Very low	45.3	Very low	200 Å²	200	132.3 Å²	132.3	88%	0.877	73%	0.73	S	S	*	*			trans	-77.6	112	154.3	-98.1	-88.1	0	0	0	106.3	L49	F47-L49 PolarHBondContact O-N 3.44Å
48	P	42.4	Very low	46.7	Very low	102 Å²	102	127.8 Å²	127.8	66%	0.662	72%	0.722	S	S	*	*			trans	-76.5	111.3	159.4	8.3	11.1	0	0	0	106.4	G46 S50	G46-P48 VanDerWaalsContact O-CD 3.28Å; G46-P48 WeakPolarHBondContact O-CD 3.46Å; P48-S50 PolarHBondContact O-N 3.25Å
49	L	50.8	Low	48.1	Very low	172 Å²	172	126.3 Å²	126.3	90%	0.901	71%	0.711	S	S	*	*			trans	-62.4	85.2	146.3	-101	150	0	0	0	106.8	F47	F47-L49 PolarHBondContact O-N 3.44Å
50	S	40.2	Very low	49.5	Very low	76 Å²	76	124.5 Å²	124.5	53%	0.531	70%	0.701	S	S	.	*			trans	-118.6	88.7	157.2	49.9	0	0	0	0	106.1	P48 D52	P48-S50 PolarHBondContact O-N 3.25Å; S50-D52 PolarHBondContact O-N 3.1Å
51	F	49.5	Very low	50.6	Low	195 Å²	195	122 Å²	122	86%	0.855	69%	0.687	S	S	*	*			trans	-64.9	96.2	153.5	-120	-95.4	0	0	0	104.9	A53	F51-A53 PolarHBondContact O-N 3.02Å
52	D	42.9	Very low	51.9	Low	128 Å²	128	121.5 Å²	121.5	68%	0.684	67%	0.668	S	S	*	*			trans	-65.2	91.2	166.2	-81.3	-25.1	0	0	0	107	S50 S54	S50-D52 PolarHBondContact O-N 3.1Å; D52-S54 PolarHBondContact O-N 2.95Å
53	A	54	Low	52.6	Low	102 Å²	102	114.2 Å²	114.2	84%	0.843	65%	0.651	S	S	*	*			trans	-75.4	62.5	166.7	0	0	0	0	0	108.8	F51	F51-A53 PolarHBondContact O-N 3.02Å
54	S	55.1	Low	53.8	Low	90 Å²	90	110.7 Å²	110.7	63%	0.629	64%	0.638	S	S	*	*			trans	-148.9	44.4	169.9	64.2	0	0	0	0	110.4	D52 S56	D52-S54 PolarHBondContact O-N 2.95Å; S54-S56 PolarHBondContact O-N 3.06Å
55	L	53.5	Low	54.7	Low	100 Å²	100	108.2 Å²	108.2	52%	0.524	63%	0.633	S	S	.	*			trans	-53.6	115.3	158.8	-80.5	161.6	0	0	0	107	E59 L60	L55-E59 HydrophobicContact CD2-CB 3.58Å; L55-E59 HydrophobicContact CD2-CG 4.45Å; L55-L60 HydrophobicContact CB-CD1 4.02Å; L55-L60 HydrophobicContact CB-CG 4.01Å; L55-L60 HydrophobicContact CD1-CG 4.47Å
56	S	62.3	Low	55.1	Low	54 Å²	54	110.2 Å²	110.2	38%	0.378	63%	0.63	S	S	.	*			trans	-57.8	152.7	174.7	65.9	0	0	0	0	108.8	S54 V58 E59 L60	S54-S56 PolarHBondContact O-N 3.06Å; S56-V58 PolarHBondContact O-N 3.34Å; S56-E59 PolarHBondContact O-N 3.45Å; S56-E59 PolarHBondContact OG-N 3.06Å; S56-L60 PolarHBondContact O-N 3.36Å
57	S	63.2	Low	56.1	Low	101 Å²	101	113.5 Å²	113.5	71%	0.706	63%	0.628	S	S	*	*	H	α-helix	trans	-51.9	-24	176.7	51.4	0	0	0	0	112.8	A61	S57-A61 WeakPolarHBondContact O-CB 3.35Å; S57-A61 PolarHBondContact O-N 3.43Å
58	V	64.8	Low	56.6	Low	95 Å²	95	108.6 Å²	108.6	58%	0.576	61%	0.61	S	S	*	*	H	α-helix	trans	-76.7	-40.9	176.9	-167	0	0	0	0	112.4	S56 A61 V62	S56-V58 PolarHBondContact O-N 3.34Å; V58-A61 PolarHBondContact O-N 3.02Å; V58-V62 VanDerWaalsContact O-CG2 3.29Å; V58-V62 WeakPolarHBondContact O-CG2 3.39Å; V58-V62 PolarHBondContact O-N 3.21Å
59	E	65.8	Low	57.4	Low	104 Å²	104	107.6 Å²	107.6	49%	0.486	60%	0.604	S	S	.	*	H	α-helix	trans	-71.6	-37.1	179.2	-71.2	178.1	140.8	0	0	112.1	L55 S56 A61 V62 C63	L55-E59 HydrophobicContact CD2-CB 3.58Å; L55-E59 HydrophobicContact CD2-CG 4.45Å; S56-E59 PolarHBondContact O-N 3.45Å; S56-E59 PolarHBondContact OG-N 3.06Å; E59-A61 VanDerWaalsContact C-N 3.34Å; E59-V62 PolarHBondContact O-N 2.96Å; E59-C63 WeakPolarHBondContact O-CB 3.42Å; E59-C63 PolarHBondContact O-N 2.86Å
60	L	64	Low	57.7	Low	91 Å²	91	102.3 Å²	102.3	48%	0.476	59%	0.585	S	S	.	*	H	α-helix	trans	-60.1	-43.9	168.2	-86.9	152.4	0	0	0	111.3	L55 S56 C63 L64	L55-L60 HydrophobicContact CB-CD1 4.02Å; L55-L60 HydrophobicContact CB-CG 4.01Å; L55-L60 HydrophobicContact CD1-CG 4.47Å; S56-L60 PolarHBondContact O-N 3.36Å; L60-C63 PolarHBondContact O-N 3.07Å; L60-L64 WeakPolarHBondContact O-CB 3.33Å; L60-L64 VanDerWaalsContact O-CG 3.24Å; L60-L64 WeakPolarHBondContact O-CG 3.33Å; L60-L64 PolarHBondContact O-N 2.95Å
61	A	63.2	Low	58.6	Low	52 Å²	52	101.5 Å²	101.5	43%	0.43	58%	0.583	S	S	.	*	H	α-helix	trans	-65.6	-39.2	177.5	0	0	0	0	0	112.8	S57 V58 E59 L64 F65	S57-A61 WeakPolarHBondContact O-CB 3.35Å; S57-A61 PolarHBondContact O-N 3.43Å; V58-A61 PolarHBondContact O-N 3.02Å; E59-A61 VanDerWaalsContact C-N 3.34Å; A61-L64 PolarHBondContact O-N 2.83Å; A61-F65 VanDerWaalsContact O-CB 3.25Å; A61-F65 WeakPolarHBondContact O-CB 3.44Å; A61-F65 PolarHBondContact O-N 2.98Å
62	V	64.6	Low	59.1	Low	67 Å²	67	97.6 Å²	97.6	41%	0.406	57%	0.57	S	S	.	*	H	α-helix	trans	-68.7	-39.8	176.7	171.3	0	0	0	0	111.4	V58 E59 F65 K66	V58-V62 VanDerWaalsContact O-CG2 3.29Å; V58-V62 WeakPolarHBondContact O-CG2 3.39Å; V58-V62 PolarHBondContact O-N 3.21Å; E59-V62 PolarHBondContact O-N 2.96Å; V62-F65 PolarHBondContact O-N 3.28Å; V62-K66 HydrophobicContact CG1-CD 4.01Å; V62-K66 HydrophobicContact CG1-CG 4.39Å; V62-K66 WeakPolarHBondContact O-CB 3.18Å; V62-K66 VanDerWaalsContact O-CG 3.29Å; V62-K66 WeakPolarHBondContact O-CG 3.29Å; V62-K66 PolarHBondContact O-N 3.2Å
63	C	57.7	Low	60.1	Low	76 Å²	76	95.3 Å²	95.3	51%	0.514	56%	0.564	S	S	.	*	H	α-helix	trans	-61.9	-46.6	171.9	-91.1	0	0	0	0	111.5	E59 L60 F65 K66 M67	E59-C63 WeakPolarHBondContact O-CB 3.42Å; E59-C63 PolarHBondContact O-N 2.86Å; L60-C63 PolarHBondContact O-N 3.07Å; C63-F65 VanDerWaalsContact C-N 3.34Å; C63-F65 PolarHBondContact O-N 3.39Å; C63-K66 PolarHBondContact O-N 3.39Å; C63-M67 VanDerWaalsContact O-CG 3.32Å; C63-M67 WeakPolarHBondContact O-CG 3.32Å; C63-M67 PolarHBondContact O-N 3Å
64	L	60.1	Low	60.9	Low	121 Å²	121	94.9 Å²	94.9	63%	0.634	55%	0.551	S	S	*	*	H	α-helix	trans	-61.4	-40.8	176.1	-71.9	167.1	0	0	0	112.2	L60 A61 M67 L68	L60-L64 WeakPolarHBondContact O-CB 3.33Å; L60-L64 VanDerWaalsContact O-CG 3.24Å; L60-L64 WeakPolarHBondContact O-CG 3.33Å; L60-L64 PolarHBondContact O-N 2.95Å; A61-L64 PolarHBondContact O-N 2.83Å; L64-M67 PolarHBondContact O-N 3.23Å; L64-L68 PolarHBondContact O-N 3.48Å; L64-L68 VanDerWaalsContact O-N 3.17Å
65	F	62.4	Low	61.7	Low	158 Å²	158	94.6 Å²	94.6	69%	0.693	55%	0.546	S	S	*	.	H	α-helix	trans	-71	-32.6	178.5	-159.9	-96	0	0	0	112.8	A61 V62 C63 P69	A61-F65 VanDerWaalsContact O-CB 3.25Å; A61-F65 WeakPolarHBondContact O-CB 3.44Å; A61-F65 PolarHBondContact O-N 2.98Å; V62-F65 PolarHBondContact O-N 3.28Å; C63-F65 VanDerWaalsContact C-N 3.34Å; C63-F65 PolarHBondContact O-N 3.39Å; F65-P69 WeakPolarHBondContact O-CD 3.5Å
66	K	57.2	Low	62.8	Low	159 Å²	159	93.4 Å²	93.4	69%	0.691	55%	0.546	S	S	*	.	H	α-helix	trans	-75.8	-26.7	174.5	-76.4	179.1	177.8	-179.5	0	113.3	V62 C63 P69	V62-K66 HydrophobicContact CG1-CD 4.01Å; V62-K66 HydrophobicContact CG1-CG 4.39Å; V62-K66 WeakPolarHBondContact O-CB 3.18Å; V62-K66 VanDerWaalsContact O-CG 3.29Å; V62-K66 WeakPolarHBondContact O-CG 3.29Å; V62-K66 PolarHBondContact O-N 3.2Å; C63-K66 PolarHBondContact O-N 3.39Å; K66-P69 WeakPolarHBondContact O-CD 3.33Å
67	M	57.2	Low	63.7	Low	140 Å²	140	93.7 Å²	93.7	69%	0.69	55%	0.552	S	S	*	*	H	α-helix	trans	-84.6	-17.8	176	-66.1	-161.9	86.2	0	0	113.4	C63 L64 A70 A71	C63-M67 VanDerWaalsContact O-CG 3.32Å; C63-M67 WeakPolarHBondContact O-CG 3.32Å; C63-M67 PolarHBondContact O-N 3Å; L64-M67 PolarHBondContact O-N 3.23Å; M67-A70 PolarHBondContact O-N 2.81Å; M67-A71 PolarHBondContact O-N 3.15Å; M67-A71 VanDerWaalsContact O-N 3.15Å
68	L	57.5	Low	64.5	Low	97 Å²	97	92.9 Å²	92.9	51%	0.508	54%	0.542	S	S	.	.	H	α-helix	trans	-58.2	-45.6	-180	-155.6	71	0	0	0	113.9	L64 A71 L72	L64-L68 PolarHBondContact O-N 3.48Å; L64-L68 VanDerWaalsContact O-N 3.17Å; L68-A71 PolarHBondContact O-N 2.94Å; L68-L72 HydrophobicContact CG-CD1 4.26Å; L68-L72 VanDerWaalsContact O-CD1 3.31Å; L68-L72 WeakPolarHBondContact O-CD1 3.26Å; L68-L72 WeakPolarHBondContact O-CG 3.46Å; L68-L72 PolarHBondContact O-N 3.46Å; L68-L72 VanDerWaalsContact O-N 3.14Å
69	P	59.5	Low	65.5	Low	82 Å²	82	93.2 Å²	93.2	53%	0.532	54%	0.54	S	S	.	.	H	α-helix	trans	-69.7	-35	-178.8	-18.3	33.1	0	0	0	113.1	F65 K66 L72 S73	F65-P69 WeakPolarHBondContact O-CD 3.5Å; K66-P69 WeakPolarHBondContact O-CD 3.33Å; P69-L72 PolarHBondContact O-N 2.87Å; P69-S73 PolarHBondContact O-N 3.24Å; P69-S73 VanDerWaalsContact O-N 3.08Å
70	A	57.4	Low	66.3	Low	61 Å²	61	93.1 Å²	93.1	50%	0.504	54%	0.543	S	S	.	.	H	α-helix	trans	-68.9	-40.1	178	0	0	0	0	0	111.4	M67 S73 V74	M67-A70 PolarHBondContact O-N 2.81Å; A70-S73 PolarHBondContact O-N 3.15Å; A70-V74 WeakPolarHBondContact O-CG2 3.42Å; A70-V74 PolarHBondContact O-N 2.97Å; A70-V74 VanDerWaalsContact O-N 3.11Å
71	A	58.2	Low	67.2	Low	58 Å²	58	94.1 Å²	94.1	48%	0.479	55%	0.548	S	S	.	.	H	α-helix	trans	-66.1	-37.9	175.5	0	0	0	0	0	112.7	M67 L68 T75	M67-A71 PolarHBondContact O-N 3.15Å; M67-A71 VanDerWaalsContact O-N 3.15Å; L68-A71 PolarHBondContact O-N 2.94Å; A71-T75 WeakPolarHBondContact O-CG2 3.17Å; A71-T75 PolarHBondContact O-N 3.06Å; A71-T75 PolarHBondContact O-OG1 3.11Å
72	L	60.8	Low	68.2	Low	113 Å²	113	96.3 Å²	96.3	59%	0.592	55%	0.552	S	S	*	*	H	α-helix	trans	-64.4	-36.2	173.1	-78.9	154.1	0	0	0	112.7	L68 P69 T75 S76	L68-L72 HydrophobicContact CG-CD1 4.26Å; L68-L72 VanDerWaalsContact O-CD1 3.31Å; L68-L72 WeakPolarHBondContact O-CD1 3.26Å; L68-L72 WeakPolarHBondContact O-CG 3.46Å; L68-L72 PolarHBondContact O-N 3.46Å; L68-L72 VanDerWaalsContact O-N 3.14Å; P69-L72 PolarHBondContact O-N 2.87Å; L72-T75 PolarHBondContact O-OG1 3.48Å; L72-T75 VanDerWaalsContact O-OG1 3.06Å; L72-S76 WeakPolarHBondContact O-CB 3.42Å; L72-S76 PolarHBondContact O-N 3.08Å
73	S	64	Low	69	Low	80 Å²	80	97.2 Å²	97.2	56%	0.559	55%	0.554	S	S	*	*	H	α-helix	trans	-72.5	-40.4	178	-176.4	0	0	0	0	113.2	P69 A70 S76 A77	P69-S73 PolarHBondContact O-N 3.24Å; P69-S73 VanDerWaalsContact O-N 3.08Å; A70-S73 PolarHBondContact O-N 3.15Å; S73-S76 PolarHBondContact O-N 3.29Å; S73-A77 PolarHBondContact O-N 3.49Å; S73-A77 VanDerWaalsContact O-N 3.14Å
74	V	69.9	Low	70.1	Confident	94 Å²	94	97.4 Å²	97.4	57%	0.57	55%	0.549	S	S	*	.	H	α-helix	trans	-70	-39.7	-178.5	173.3	0	0	0	0	110.8	A70 A77 T78	A70-V74 WeakPolarHBondContact O-CG2 3.42Å; A70-V74 PolarHBondContact O-N 2.97Å; A70-V74 VanDerWaalsContact O-N 3.11Å; V74-A77 PolarHBondContact O-N 3.15Å; V74-T78 WeakPolarHBondContact O-CG2 3.35Å; V74-T78 PolarHBondContact O-N 3.35Å; V74-T78 PolarHBondContact O-OG1 3.14Å
75	T	73	Confident	70.7	Confident	83 Å²	83	94.5 Å²	94.5	51%	0.509	54%	0.537	S	S	.	.	H	α-helix	trans	-66.8	-34.9	176.3	48.2	0	0	0	0	112.8	A71 L72 T78 L79	A71-T75 WeakPolarHBondContact O-CG2 3.17Å; A71-T75 PolarHBondContact O-N 3.06Å; A71-T75 PolarHBondContact O-OG1 3.11Å; L72-T75 PolarHBondContact O-OG1 3.48Å; L72-T75 VanDerWaalsContact O-OG1 3.06Å; T75-T78 PolarHBondContact O-OG1 3.17Å; T75-T78 VanDerWaalsContact O-OG1 3.1Å; T75-L79 VanDerWaalsContact O-CB 3.26Å; T75-L79 WeakPolarHBondContact O-CB 3.2Å; T75-L79 PolarHBondContact O-N 3.44Å
76	S	76.3	Confident	71.2	Confident	76 Å²	76	91.2 Å²	91.2	53%	0.531	53%	0.525	S	S	.	.	H	α-helix	trans	-66	-42.4	173.1	-177.6	0	0	0	0	112.4	L72 S73 L79 L80	L72-S76 WeakPolarHBondContact O-CB 3.42Å; L72-S76 PolarHBondContact O-N 3.08Å; S73-S76 PolarHBondContact O-N 3.29Å; S76-L79 PolarHBondContact O-N 3.32Å; S76-L80 WeakPolarHBondContact O-CB 3.37Å; S76-L80 PolarHBondContact O-N 3.42Å
77	A	80.4	Confident	71.7	Confident	60 Å²	60	88.9 Å²	88.9	50%	0.496	52%	0.519	S	S	.	.	H	α-helix	trans	-67.9	-39	179.1	0	0	0	0	0	112.9	S73 V74 L80 L81	S73-A77 PolarHBondContact O-N 3.49Å; S73-A77 VanDerWaalsContact O-N 3.14Å; V74-A77 PolarHBondContact O-N 3.15Å; A77-L80 PolarHBondContact O-N 3Å; A77-L81 WeakPolarHBondContact O-CB 3.49Å; A77-L81 PolarHBondContact O-N 3.47Å
78	T	80	Confident	72.1	Confident	84 Å²	84	87.6 Å²	87.6	52%	0.515	52%	0.516	S	S	.	.	H	α-helix	trans	-71.6	-35.3	176.1	53.8	0	0	0	0	112.1	V74 T75 L81 L82	V74-T78 WeakPolarHBondContact O-CG2 3.35Å; V74-T78 PolarHBondContact O-N 3.35Å; V74-T78 PolarHBondContact O-OG1 3.14Å; T75-T78 PolarHBondContact O-OG1 3.17Å; T75-T78 VanDerWaalsContact O-OG1 3.1Å; T78-L81 PolarHBondContact O-N 2.89Å; T78-L82 VanDerWaalsContact O-CB 3.3Å; T78-L82 WeakPolarHBondContact O-CB 3.48Å; T78-L82 PolarHBondContact O-N 3.3Å
79	L	85.8	Confident	72.2	Confident	102 Å²	102	89.7 Å²	89.7	53%	0.534	53%	0.526	S	S	.	.	H	α-helix	trans	-64.9	-40.2	172.3	-175.5	64.4	0	0	0	111.6	T75 S76 L82 L83	T75-L79 VanDerWaalsContact O-CB 3.26Å; T75-L79 WeakPolarHBondContact O-CB 3.2Å; T75-L79 PolarHBondContact O-N 3.44Å; S76-L79 PolarHBondContact O-N 3.32Å; L79-L82 PolarHBondContact O-N 3.17Å; L79-L83 HydrophobicContact CG-CD1 4.11Å; L79-L83 WeakPolarHBondContact O-CB 3.48Å; L79-L83 WeakPolarHBondContact O-CD1 3.42Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.46Å; L79-L83 PolarHBondContact O-N 3.42Å
80	L	84.1	Confident	72.1	Confident	102 Å²	102	90.8 Å²	90.8	53%	0.534	53%	0.532	S	S	.	.	H	α-helix	trans	-66.3	-41.7	175.6	-174.9	63.1	0	0	0	111.9	S76 A77 L83 I84	S76-L80 WeakPolarHBondContact O-CB 3.37Å; S76-L80 PolarHBondContact O-N 3.42Å; A77-L80 PolarHBondContact O-N 3Å; L80-L83 PolarHBondContact O-N 2.84Å; L80-I84 HydrophobicContact CG-CD1 4.11Å; L80-I84 WeakPolarHBondContact O-CD1 3.36Å; L80-I84 VanDerWaalsContact O-CG1 3.23Å; L80-I84 WeakPolarHBondContact O-CG1 3.41Å; L80-I84 PolarHBondContact O-N 2.94Å
81	L	82.6	Confident	72	Confident	112 Å²	112	96 Å²	96	59%	0.586	55%	0.546	S	S	*	.	H	α-helix	trans	-65.4	-39.9	175.3	-171	65.3	0	0	0	111.5	A77 T78 I84 T85	A77-L81 WeakPolarHBondContact O-CB 3.49Å; A77-L81 PolarHBondContact O-N 3.47Å; T78-L81 PolarHBondContact O-N 2.89Å; L81-I84 PolarHBondContact O-N 3.44Å; L81-T85 WeakPolarHBondContact O-CG2 3.25Å; L81-T85 PolarHBondContact O-N 2.93Å; L81-T85 PolarHBondContact O-OG1 3.2Å
82	L	84.2	Confident	71.8	Confident	97 Å²	97	98 Å²	98	51%	0.508	56%	0.556	S	S	.	*	H	α-helix	trans	-62.6	-44.8	173.8	-166.5	79.6	0	0	0	110.9	T78 L79 I84 T85 L86	T78-L82 VanDerWaalsContact O-CB 3.3Å; T78-L82 WeakPolarHBondContact O-CB 3.48Å; T78-L82 PolarHBondContact O-N 3.3Å; L79-L82 PolarHBondContact O-N 3.17Å; L82-I84 VanDerWaalsContact C-N 3.35Å; L82-I84 PolarHBondContact O-N 2.96Å; L82-T85 WeakPolarHBondContact CA-OG1 3.32Å; L82-T85 PolarHBondContact O-N 3.41Å; L82-T85 PolarHBondContact O-OG1 2.96Å; L82-L86 HydrophobicContact CG-CD1 4.34Å; L82-L86 WeakPolarHBondContact O-CB 3.48Å; L82-L86 VanDerWaalsContact O-CG 3.24Å; L82-L86 WeakPolarHBondContact O-CG 3.42Å; L82-L86 PolarHBondContact O-N 2.84Å
83	L	81.6	Confident	71.4	Confident	86 Å²	86	99.2 Å²	99.2	45%	0.45	56%	0.557	S	S	.	*	H	α-helix	trans	-60.2	-41.8	175	-79.4	161.3	0	0	0	112	L79 L80 L86 I87	L79-L83 HydrophobicContact CG-CD1 4.11Å; L79-L83 WeakPolarHBondContact O-CB 3.48Å; L79-L83 WeakPolarHBondContact O-CD1 3.42Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.46Å; L79-L83 PolarHBondContact O-N 3.42Å; L80-L83 PolarHBondContact O-N 2.84Å; L83-L86 PolarHBondContact O-N 3.43Å; L83-I87 WeakPolarHBondContact O-CD1 3.47Å; L83-I87 VanDerWaalsContact O-CG1 3.23Å; L83-I87 WeakPolarHBondContact O-CG1 3.29Å; L83-I87 PolarHBondContact O-N 3.41Å
84	I	79.6	Confident	71.4	Confident	80 Å²	80	102.5 Å²	102.5	41%	0.41	56%	0.563	S	S	.	*	H	α-helix	trans	-63.9	-44.7	175.6	-68.1	163.3	0	0	0	110.7	L80 L81 L82 L86 I87 D88	L80-I84 HydrophobicContact CG-CD1 4.11Å; L80-I84 WeakPolarHBondContact O-CD1 3.36Å; L80-I84 VanDerWaalsContact O-CG1 3.23Å; L80-I84 WeakPolarHBondContact O-CG1 3.41Å; L80-I84 PolarHBondContact O-N 2.94Å; L81-I84 PolarHBondContact O-N 3.44Å; L82-I84 VanDerWaalsContact C-N 3.35Å; L82-I84 PolarHBondContact O-N 2.96Å; I84-L86 VanDerWaalsContact C-N 3.28Å; I84-L86 PolarHBondContact O-N 3.41Å; I84-I87 PolarHBondContact O-N 2.87Å; I84-I87 VanDerWaalsContact O-N 3.17Å; I84-D88 PolarHBondContact O-N 2.91Å; I84-D88 VanDerWaalsContact O-N 3.11Å
85	T	72.6	Confident	72.1	Confident	61 Å²	61	103.9 Å²	103.9	37%	0.374	56%	0.561	S	S	.	*	H	α-helix	trans	-65.3	-30.2	176	58.1	0	0	0	0	113.2	L81 L82 L89	L81-T85 WeakPolarHBondContact O-CG2 3.25Å; L81-T85 PolarHBondContact O-N 2.93Å; L81-T85 PolarHBondContact O-OG1 3.2Å; L82-T85 WeakPolarHBondContact CA-OG1 3.32Å; L82-T85 PolarHBondContact O-N 3.41Å; L82-T85 PolarHBondContact O-OG1 2.96Å; T85-L89 VanDerWaalsContact O-CG 3.31Å; T85-L89 WeakPolarHBondContact O-CG 3.37Å; T85-L89 PolarHBondContact O-N 3.27Å
86	L	72.5	Confident	73.1	Confident	88 Å²	88	100.9 Å²	100.9	46%	0.461	54%	0.542	S	S	.	.	H	α-helix	trans	-72.9	-35	174.4	-71.1	170.6	0	0	0	111.6	L82 L83 I84 L89 T90	L82-L86 HydrophobicContact CG-CD1 4.34Å; L82-L86 WeakPolarHBondContact O-CB 3.48Å; L82-L86 VanDerWaalsContact O-CG 3.24Å; L82-L86 WeakPolarHBondContact O-CG 3.42Å; L82-L86 PolarHBondContact O-N 2.84Å; L83-L86 PolarHBondContact O-N 3.43Å; I84-L86 VanDerWaalsContact C-N 3.28Å; I84-L86 PolarHBondContact O-N 3.41Å; L86-L89 PolarHBondContact O-N 3.35Å; L86-T90 WeakPolarHBondContact O-CG2 3.24Å; L86-T90 PolarHBondContact O-N 3.2Å; L86-T90 VanDerWaalsContact O-N 3.17Å; L86-T90 PolarHBondContact O-OG1 3.4Å
87	I	69.2	Low	74.2	Confident	110 Å²	110	97.2 Å²	97.2	56%	0.564	52%	0.517	S	S	*	.	H	α-helix	trans	-63.3	-43.9	174	-68.2	161.7	0	0	0	110.4	L83 I84 L89 T90	L83-I87 WeakPolarHBondContact O-CD1 3.47Å; L83-I87 VanDerWaalsContact O-CG1 3.23Å; L83-I87 WeakPolarHBondContact O-CG1 3.29Å; L83-I87 PolarHBondContact O-N 3.41Å; I84-I87 PolarHBondContact O-N 2.87Å; I84-I87 VanDerWaalsContact O-N 3.17Å; I87-L89 VanDerWaalsContact C-N 3.31Å; I87-L89 PolarHBondContact O-N 3.34Å; I87-T90 WeakPolarHBondContact CA-OG1 3.45Å; I87-T90 PolarHBondContact O-N 2.73Å; I87-T90 VanDerWaalsContact O-N 3.14Å; I87-T90 PolarHBondContact O-OG1 3.48Å
88	D	64.1	Low	75	Confident	114 Å²	114	94.4 Å²	94.4	61%	0.61	49%	0.493	S	S	*	.	H	α-helix	trans	-64.3	-32.2	176.7	-71.2	-36.1	0	0	0	113	I84 T90	I84-D88 PolarHBondContact O-N 2.91Å; I84-D88 VanDerWaalsContact O-N 3.11Å; D88-T90 VanDerWaalsContact C-N 3.32Å
89	L	61.1	Low	75.8	Confident	140 Å²	140	92.3 Å²	92.3	73%	0.733	48%	0.481	S	S	*	.	H	α-helix	trans	-76	-20	176.1	-71.8	168.7	0	0	0	113.3	T85 L86 I87 E91	T85-L89 VanDerWaalsContact O-CG 3.31Å; T85-L89 WeakPolarHBondContact O-CG 3.37Å; T85-L89 PolarHBondContact O-N 3.27Å; L86-L89 PolarHBondContact O-N 3.35Å; I87-L89 VanDerWaalsContact C-N 3.31Å; I87-L89 PolarHBondContact O-N 3.34Å; L89-E91 VanDerWaalsContact C-N 3.34Å
90	T	55.8	Low	76.4	Confident	106 Å²	106	88.5 Å²	88.5	65%	0.65	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	1.4	177.4	55.3	0	0	0	0	114.1	L86 I87 D88 S92	L86-T90 WeakPolarHBondContact O-CG2 3.24Å; L86-T90 PolarHBondContact O-N 3.2Å; L86-T90 VanDerWaalsContact O-N 3.17Å; L86-T90 PolarHBondContact O-OG1 3.4Å; I87-T90 WeakPolarHBondContact CA-OG1 3.45Å; I87-T90 PolarHBondContact O-N 2.73Å; I87-T90 VanDerWaalsContact O-N 3.14Å; I87-T90 PolarHBondContact O-OG1 3.48Å; D88-T90 VanDerWaalsContact C-N 3.32Å; T90-S92 PolarHBondContact O-N 3.19Å
91	E	55.8	Low	77	Confident	170 Å²	170	90 Å²	90	79%	0.794	46%	0.462	S	S	*	.			trans	-73.7	60	165.7	-153.8	178.8	-156.3	0	0	109.9	L89 K93	L89-E91 VanDerWaalsContact C-N 3.34Å; E91-K93 PolarHBondContact O-N 2.9Å
92	S	53.3	Low	77.7	Confident	99 Å²	99	85 Å²	85	69%	0.692	44%	0.436	S	S	*	.			trans	-61.7	112	161.8	74.3	0	0	0	0	105.7	T90 Q94	T90-S92 PolarHBondContact O-N 3.19Å; S92-Q94 VanDerWaalsContact C-N 3.35Å; S92-Q94 PolarHBondContact O-N 2.91Å
93	K	53.1	Low	78.4	Confident	140 Å²	140	83.2 Å²	83.2	61%	0.609	43%	0.429	S	S	*	.			trans	-49.6	103	170.6	-172.8	178.2	-173.1	-176.4	0	107.5	E91 K95 T99 E113	E91-K93 PolarHBondContact O-N 2.9Å; K93-K95 PolarHBondContact O-N 3.27Å; K93-T99 HydrophobicContact CD-CG2 4.27Å; K93-E113 IonicContact NZ-OE2 2.81Å
94	Q	63.7	Low	79.2	Confident	149 Å²	149	80 Å²	80	70%	0.696	41%	0.413	S	S	*	.			trans	-56.1	128.6	-179.2	-168.2	-177.9	4.4	0	0	107.2	S92 D96	S92-Q94 VanDerWaalsContact C-N 3.35Å; S92-Q94 PolarHBondContact O-N 2.91Å; Q94-D96 PolarHBondContact O-N 3.4Å
95	K	84.6	Confident	80	Confident	122 Å²	122	76.9 Å²	76.9	53%	0.53	40%	0.398	S	S	.	.			trans	-66.1	104.8	-176	-169.4	-176.8	-176.7	-163.3	0	109	K93 F100 Y203	K93-K95 PolarHBondContact O-N 3.27Å; K95-F100 HydrophobicContact CD-CZ 4.39Å; K95-F100 HydrophobicContact CG-CZ 4.42Å; K95-Y203 WeakPolarHBondContact O-CE2 3.47Å; K95-Y203 PolarHBondContact O-OH 2.89Å
96	D	95.2	Very high	81.1	Confident	20 Å²	20	84 Å²	84	11%	0.107	42%	0.418	C	S	.	.			trans	-108.6	168.3	176.4	73.5	58.8	0	0	0	111.9	Q94 Y98 T99 R116 Y203	Q94-D96 PolarHBondContact O-N 3.4Å; D96-Y98 VanDerWaalsContact C-N 3.29Å; D96-Y98 PolarHBondContact O-N 3.13Å; D96-Y98 WeakPolarHBondContact OD1-CA 3.38Å; D96-Y98 WeakPolarHBondContact OD1-CB 3.44Å; D96-Y98 PolarHBondContact OD1-N 3.45Å; D96-T99 PolarHBondContact O-N 3.21Å; D96-T99 PolarHBondContact O-OG1 2.95Å; D96-T99 WeakPolarHBondContact OD1-CG2 3.37Å; D96-T99 PolarHBondContact OD1-N 3.3Å; D96-T99 VanDerWaalsContact OD1-N 3.16Å; D96-R116 IonicContact OD1-CZ 3.79Å; D96-R116 IonicContact OD1-NH1 3.93Å; D96-R116 IonicContact OD1-NH2 2.86Å; D96-R116 PolarHBondContact OD1-NH2 2.94Å; D96-R116 IonicContact OD2-CZ 3.46Å; D96-R116 IonicContact OD2-NH1 3.32Å; D96-R116 PolarHBondContact OD2-NH1 3.26Å; D96-R116 IonicContact OD2-NH2 3.91Å; D96-R116 PolarHBondContact OD2-NH2 3.17Å; D96-Y203 WeakPolarHBondContact CA-OH 3.38Å
97	F	98	Very high	82.2	Confident	0 Å²	0	82.5 Å²	82.5	0%	0	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-59.2	-35	-178.1	175.5	-96.1	0	0	0	113.8	T99 F100 L112 V122 L154 V200 Y203 L204 I221 G225	F97-T99 VanDerWaalsContact C-N 3.3Å; F97-T99 PolarHBondContact O-N 2.9Å; F97-F100 WeakPolarHBondContact O-CD2 3.4Å; F97-L112 HydrophobicContact CD1-CD1 4.41Å; F97-L112 HydrophobicContact CE1-CD1 3.78Å; F97-L112 HydrophobicContact CE2-CD1 4.13Å; F97-L112 HydrophobicContact CZ-CD1 3.6Å; F97-V122 HydrophobicContact CE1-CG2 3.83Å; F97-V122 HydrophobicContact CE2-CG1 4.33Å; F97-V122 HydrophobicContact CE2-CG2 3.67Å; F97-V122 HydrophobicContact CZ-CB 4.42Å; F97-V122 HydrophobicContact CZ-CG1 4.34Å; F97-V122 HydrophobicContact CZ-CG2 3.24Å; F97-L154 HydrophobicContact CE1-CD1 3.69Å; F97-L154 HydrophobicContact CZ-CD1 3.97Å; F97-V200 HydrophobicContact CD2-CG1 4.07Å; F97-V200 HydrophobicContact CE2-CG1 3.41Å; F97-V200 VanDerWaalsContact CE2-CG1 3.41Å; F97-V200 HydrophobicContact CZ-CG1 4.25Å; F97-Y203 HydrophobicContact CB-CE1 3.98Å; F97-L204 HydrophobicContact CD2-CD2 3.79Å; F97-L204 HydrophobicContact CD2-CG 4.27Å; F97-L204 HydrophobicContact CE2-CD1 4.14Å; F97-L204 HydrophobicContact CE2-CD2 4.18Å; F97-L204 HydrophobicContact CE2-CG 4.39Å; F97-I221 HydrophobicContact CB-CD1 4.4Å; F97-I221 HydrophobicContact CB-CG2 3.94Å; F97-I221 HydrophobicContact CD1-CB 4.42Å; F97-I221 HydrophobicContact CD1-CG1 4Å; F97-I221 HydrophobicContact CD1-CG2 3.89Å; F97-I221 HydrophobicContact CD2-CD1 4.26Å; F97-I221 HydrophobicContact CD2-CG1 4.45Å; F97-I221 HydrophobicContact CE1-CG1 4.29Å; F97-I221 HydrophobicContact CG-CD1 4.15Å; F97-I221 HydrophobicContact CG-CG1 4.1Å; F97-I221 HydrophobicContact CG-CG2 4.1Å; F97-G225 VanDerWaalsContact CB-O 3.23Å; F97-G225 WeakPolarHBondContact CB-O 3.47Å; F97-G225 PolarHBondContact N-O 3.2Å
98	Y	97.9	Very high	83.6	Confident	0 Å²	0	84.1 Å²	84.1	0%	0	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-78.6	-15	-176.3	-64.9	-44.1	0	0	0	112.9	D96 F100 L112 E113 R116 S118 S120 I221 D222 G225	D96-Y98 VanDerWaalsContact C-N 3.29Å; D96-Y98 PolarHBondContact O-N 3.13Å; D96-Y98 WeakPolarHBondContact OD1-CA 3.38Å; D96-Y98 WeakPolarHBondContact OD1-CB 3.44Å; D96-Y98 PolarHBondContact OD1-N 3.45Å; Y98-F100 PolarHBondContact O-N 2.92Å; Y98-L112 HydrophobicContact CD1-CB 4.37Å; Y98-L112 WeakPolarHBondContact CD1-O 3.37Å; Y98-L112 CarbonylContact O-C 3.6Å; Y98-E113 WeakPolarHBondContact O-CA 3.47Å; Y98-E113 PolarHBondContact O-N 2.89Å; Y98-R116 HydrophobicContact CD2-CB 3.82Å; Y98-R116 HydrophobicContact CD2-CG 4.06Å; Y98-R116 HydrophobicContact CE2-CB 4.4Å; Y98-R116 HydrophobicContact CG-CB 4.27Å; Y98-S118 PolarHBondContact OH-O 2.9Å; Y98-S120 WeakPolarHBondContact CE1-OG 3.35Å; Y98-S120 WeakPolarHBondContact OH-CB 3.23Å; Y98-S120 PolarHBondContact OH-OG 3.46Å; Y98-I221 HydrophobicContact CE1-CG2 4.36Å; Y98-I221 HydrophobicContact CE2-CG2 4.26Å; Y98-D222 VanDerWaalsContact CE2-O 3.23Å; Y98-D222 WeakPolarHBondContact CE2-O 3.3Å; Y98-D222 PolarHBondContact OH-O 3.3Å; Y98-G225 VanDerWaalsContact CE2-CA 3.48Å
99	T	96.8	Very high	85.2	Confident	41 Å²	41	83.8 Å²	83.8	25%	0.252	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-67.4	-17.6	175.1	68.5	0	0	0	0	114.4	K93 D96 F97	K93-T99 HydrophobicContact CD-CG2 4.27Å; D96-T99 PolarHBondContact O-N 3.21Å; D96-T99 PolarHBondContact O-OG1 2.95Å; D96-T99 WeakPolarHBondContact OD1-CG2 3.37Å; D96-T99 PolarHBondContact OD1-N 3.3Å; D96-T99 VanDerWaalsContact OD1-N 3.16Å; F97-T99 VanDerWaalsContact C-N 3.3Å; F97-T99 PolarHBondContact O-N 2.9Å
100	F	97.6	Very high	86.9	Confident	21 Å²	21	78 Å²	78	9%	0.092	40%	0.395	C	S	.	.			trans	-76.9	158	-177.5	-67.3	-84.8	0	0	0	113.4	K95 F97 Y98 L112 N199 V200 Y203	K95-F100 HydrophobicContact CD-CZ 4.39Å; K95-F100 HydrophobicContact CG-CZ 4.42Å; F97-F100 WeakPolarHBondContact O-CD2 3.4Å; Y98-F100 PolarHBondContact O-N 2.92Å; F100-L112 HydrophobicContact CB-CD1 4.14Å; F100-L112 WeakPolarHBondContact O-CB 3.39Å; F100-L112 PolarHBondContact O-N 3.1Å; F100-N199 HydrophobicContact CD1-CB 4.26Å; F100-N199 HydrophobicContact CE1-CB 3.97Å; F100-V200 HydrophobicContact CB-CG2 3.42Å; F100-V200 VanDerWaalsContact CB-CG2 3.42Å; F100-V200 HydrophobicContact CD1-CG2 4Å; F100-V200 HydrophobicContact CD2-CG2 4.2Å; F100-V200 HydrophobicContact CG-CG2 3.63Å; F100-Y203 AromaticContact CE2-CD1 3.72Å; F100-Y203 HydrophobicContact CE2-CD1 3.72Å; F100-Y203 HydrophobicContact CE2-CD2 4.01Å; F100-Y203 HydrophobicContact CE2-CE1 4.36Å; F100-Y203 AromaticContact CE2-CG 3.52Å; F100-Y203 HydrophobicContact CE2-CG 3.52Å; F100-Y203 VanDerWaalsContact CZ-CB 3.42Å; F100-Y203 HydrophobicContact CZ-CD1 4.31Å; F100-Y203 HydrophobicContact CZ-CD2 4.03Å; F100-Y203 AromaticContact CZ-CG 3.66Å; F100-Y203 HydrophobicContact CZ-CG 3.66Å
101	K	97.9	Very high	88.9	Confident	135 Å²	135	75.1 Å²	75.1	59%	0.587	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.9	170.8	-59.3	-178	-179.3	177.2	0	109.5	L109 V110	K101-L109 HydrophobicContact CB-CD1 3.89Å; K101-L109 HydrophobicContact CB-CG 4.2Å; K101-L109 HydrophobicContact CD-CD2 4.24Å; K101-V110 CarbonylContact C-O 3.56Å; K101-V110 VanDerWaalsContact CA-O 3.3Å; K101-V110 WeakPolarHBondContact CA-O 3.22Å
102	V	98.2	Very high	90.9	Very high	5 Å²	5	67 Å²	67	3%	0.03	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	157.7	-178.5	-64.6	0	0	0	0	110	V110 L112 F156 F187 V200	V102-V110 HydrophobicContact CG2-CG2 3.96Å; V102-V110 PolarHBondContact N-O 3.02Å; V102-V110 VanDerWaalsContact O-CG2 3.28Å; V102-V110 WeakPolarHBondContact O-CG2 3.48Å; V102-V110 PolarHBondContact O-N 3.5Å; V102-L112 HydrophobicContact CG1-CD1 4.31Å; V102-L112 HydrophobicContact CG2-CD2 3.64Å; V102-L112 HydrophobicContact CG2-CG 4.11Å; V102-F156 HydrophobicContact CB-CE1 4.21Å; V102-F156 HydrophobicContact CG1-CE1 3.96Å; V102-F156 HydrophobicContact CG1-CZ 4.4Å; V102-F156 HydrophobicContact CG2-CE1 4.24Å; V102-F156 HydrophobicContact CG2-CZ 4.49Å; V102-F187 HydrophobicContact CB-CD1 4.28Å; V102-F187 HydrophobicContact CG2-CD1 3.31Å; V102-F187 HydrophobicContact CG2-CE1 3.3Å; V102-F187 HydrophobicContact CG2-CG 4.13Å; V102-F187 HydrophobicContact CG2-CZ 4.12Å; V102-V200 HydrophobicContact CG1-CG2 3.57Å
103	V	98.4	Very high	93.1	Very high	60 Å²	60	65.6 Å²	65.6	36%	0.364	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.4	174.6	-172.9	0	0	0	0	108.2	G107 K108 L109 F187 S188	V103-G107 VanDerWaalsContact CG1-C 3.42Å; V103-K108 WeakPolarHBondContact CA-O 3.24Å; V103-L109 HydrophobicContact CG2-CD1 4.23Å; V103-F187 WeakPolarHBondContact O-CB 3.3Å; V103-S188 WeakPolarHBondContact CG1-OG 3.46Å; V103-S188 PolarHBondContact O-N 2.92Å
104	N	97.6	Very high	95.2	Very high	20 Å²	20	65.2 Å²	65.2	11%	0.107	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-83.6	168.5	175.1	71	14.2	0	0	0	111.9	R106 G107 K108 V110 F187 S188	N104-R106 PolarHBondContact O-N 3.11Å; N104-R106 WeakPolarHBondContact OD1-CA 3.48Å; N104-R106 WeakPolarHBondContact OD1-CB 3.25Å; N104-R106 PolarHBondContact OD1-N 2.92Å; N104-G107 PolarHBondContact O-N 3.45Å; N104-G107 PolarHBondContact OD1-N 2.94Å; N104-K108 PolarHBondContact N-O 3.37Å; N104-K108 PolarHBondContact OD1-N 2.83Å; N104-K108 PolarHBondContact OD1-O 2.92Å; N104-V110 HydrophobicContact CB-CG1 4.4Å; N104-V110 HydrophobicContact CB-CG2 4.24Å; N104-F187 HydrophobicContact CB-CD1 4.36Å; N104-S188 PolarHBondContact O-OG 3.13Å
105	S	96.4	Very high	96.8	Very high	14 Å²	14	58.7 Å²	58.7	10%	0.098	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-10.3	179.6	60.7	0	0	0	0	115.4	D173 L186	S105-D173 PolarHBondContact OG-OD1 3.17Å; S105-L186 PolarHBondContact N-O 2.91Å; S105-L186 PolarHBondContact OG-O 2.85Å
106	R	95.3	Very high	97.4	Very high	211 Å²	211	56.3 Å²	56.3	80%	0.796	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	11	175.5	-60.8	-174.8	-71.1	-163.6	-4	113.3	N104 K108	N104-R106 PolarHBondContact O-N 3.11Å; N104-R106 WeakPolarHBondContact OD1-CA 3.48Å; N104-R106 WeakPolarHBondContact OD1-CB 3.25Å; N104-R106 PolarHBondContact OD1-N 2.92Å; R106-K108 VanDerWaalsContact C-N 3.32Å; R106-K108 PolarHBondContact O-N 2.87Å
107	G	96.3	Very high	97.5	Very high	56 Å²	56	56.9 Å²	56.9	58%	0.577	29%	0.289	S	S	*	.	S	Bend	trans	77.1	9.2	178.7	0	0	0	0	0	115.1	V103 N104	V103-G107 VanDerWaalsContact CG1-C 3.42Å; N104-G107 PolarHBondContact O-N 3.45Å; N104-G107 PolarHBondContact OD1-N 2.94Å
108	K	97.8	Very high	97.5	Very high	144 Å²	144	57.6 Å²	57.6	63%	0.626	29%	0.294	S	S	*	.			trans	-94.4	130.3	180	-178.4	176.2	179	176.4	0	111.1	V103 N104 R106 V110	V103-K108 WeakPolarHBondContact CA-O 3.24Å; N104-K108 PolarHBondContact N-O 3.37Å; N104-K108 PolarHBondContact OD1-N 2.83Å; N104-K108 PolarHBondContact OD1-O 2.92Å; R106-K108 VanDerWaalsContact C-N 3.32Å; R106-K108 PolarHBondContact O-N 2.87Å; K108-V110 HydrophobicContact CG-CG1 4.39Å; K108-V110 PolarHBondContact O-N 3.19Å
109	L	98.1	Very high	97.5	Very high	106 Å²	106	57.6 Å²	57.6	56%	0.555	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	123.2	168.8	-170.4	68.8	0	0	0	110.3	K101 V103	K101-L109 HydrophobicContact CB-CD1 3.89Å; K101-L109 HydrophobicContact CB-CG 4.2Å; K101-L109 HydrophobicContact CD-CD2 4.24Å; V103-L109 HydrophobicContact CG2-CD1 4.23Å
110	V	97.6	Very high	97.6	Very high	20 Å²	20	55.7 Å²	55.7	12%	0.121	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140	-179.7	-64.2	0	0	0	0	110.5	K101 V102 N104 K108 F187	K101-V110 CarbonylContact C-O 3.56Å; K101-V110 VanDerWaalsContact CA-O 3.3Å; K101-V110 WeakPolarHBondContact CA-O 3.22Å; V102-V110 HydrophobicContact CG2-CG2 3.96Å; V102-V110 PolarHBondContact N-O 3.02Å; V102-V110 VanDerWaalsContact O-CG2 3.28Å; V102-V110 WeakPolarHBondContact O-CG2 3.48Å; V102-V110 PolarHBondContact O-N 3.5Å; N104-V110 HydrophobicContact CB-CG1 4.4Å; N104-V110 HydrophobicContact CB-CG2 4.24Å; K108-V110 HydrophobicContact CG-CG1 4.39Å; K108-V110 PolarHBondContact O-N 3.19Å; V110-F187 HydrophobicContact CG2-CD1 4.22Å; V110-F187 HydrophobicContact CG2-CE1 3.75Å
111	S	97.9	Very high	97.7	Very high	45 Å²	45	54.7 Å²	54.7	32%	0.315	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	135.3	172.3	-160.6	0	0	0	0	110	E113 K114	S111-E113 PolarHBondContact O-N 2.9Å; S111-E113 WeakPolarHBondContact OG-CB 3.34Å; S111-K114 WeakPolarHBondContact O-CG 3.23Å
112	L	98.3	Very high	97.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-73.5	-16.3	172	-64.7	-176.1	0	0	0	112.1	F97 Y98 F100 V102 K114 Y115 F187 V200	F97-L112 HydrophobicContact CD1-CD1 4.41Å; F97-L112 HydrophobicContact CE1-CD1 3.78Å; F97-L112 HydrophobicContact CE2-CD1 4.13Å; F97-L112 HydrophobicContact CZ-CD1 3.6Å; Y98-L112 HydrophobicContact CD1-CB 4.37Å; Y98-L112 WeakPolarHBondContact CD1-O 3.37Å; Y98-L112 CarbonylContact O-C 3.6Å; F100-L112 HydrophobicContact CB-CD1 4.14Å; F100-L112 WeakPolarHBondContact O-CB 3.39Å; F100-L112 PolarHBondContact O-N 3.1Å; V102-L112 HydrophobicContact CG1-CD1 4.31Å; V102-L112 HydrophobicContact CG2-CD2 3.64Å; V102-L112 HydrophobicContact CG2-CG 4.11Å; L112-K114 PolarHBondContact O-N 3.01Å; L112-Y115 HydrophobicContact CB-CD2 4.41Å; L112-Y115 HydrophobicContact CD2-CD2 3.95Å; L112-Y115 HydrophobicContact CD2-CE2 3.73Å; L112-Y115 WeakPolarHBondContact O-CB 3.41Å; L112-Y115 WeakPolarHBondContact O-CD2 3.35Å; L112-Y115 PolarHBondContact O-N 3.32Å; L112-F187 HydrophobicContact CD2-CE1 4.09Å; L112-F187 HydrophobicContact CD2-CZ 3.8Å; L112-V200 HydrophobicContact CD1-CG2 4.15Å
113	E	97.8	Very high	97.8	Very high	68 Å²	68	48 Å²	48	32%	0.318	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-50.2	-31	175.7	-168	66.4	-164.3	0	0	113.2	K93 Y98 S111 Y115 R116	K93-E113 IonicContact NZ-OE2 2.81Å; Y98-E113 WeakPolarHBondContact O-CA 3.47Å; Y98-E113 PolarHBondContact O-N 2.89Å; S111-E113 PolarHBondContact O-N 2.9Å; S111-E113 WeakPolarHBondContact OG-CB 3.34Å; E113-Y115 PolarHBondContact O-N 2.75Å; E113-Y115 VanDerWaalsContact O-N 3.1Å; E113-R116 VanDerWaalsContact CD-NE 3.33Å; E113-R116 VanDerWaalsContact O-CB 3.23Å; E113-R116 WeakPolarHBondContact O-CB 3.41Å; E113-R116 PolarHBondContact O-N 3.41Å; E113-R116 WeakPolarHBondContact OE1-CD 3.49Å; E113-R116 IonicContact OE1-CZ 3.62Å; E113-R116 IonicContact OE1-NE 2.75Å; E113-R116 PolarHBondContact OE1-NE 3.11Å; E113-R116 IonicContact OE1-NH2 2.78Å; E113-R116 IonicContact OE2-CZ 3.66Å; E113-R116 IonicContact OE2-NE 3.41Å; E113-R116 PolarHBondContact OE2-NE 3.23Å; E113-R116 IonicContact OE2-NH2 3.12Å; E113-R116 PolarHBondContact OE2-NH2 3.35Å
114	K	97.1	Very high	97.8	Very high	133 Å²	133	45.1 Å²	45.1	58%	0.578	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-63.8	-14.7	177.4	74.1	-179.3	-177.2	153.3	0	114.2	S111 L112	S111-K114 WeakPolarHBondContact O-CG 3.23Å; L112-K114 PolarHBondContact O-N 3.01Å
115	Y	98	Very high	97.8	Very high	12 Å²	12	44.2 Å²	44.2	5%	0.047	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-97	-4.2	176.8	-54.9	-66.6	0	0	0	112.6	L112 E113 S118 N152 L154 P185 F187	L112-Y115 HydrophobicContact CB-CD2 4.41Å; L112-Y115 HydrophobicContact CD2-CD2 3.95Å; L112-Y115 HydrophobicContact CD2-CE2 3.73Å; L112-Y115 WeakPolarHBondContact O-CB 3.41Å; L112-Y115 WeakPolarHBondContact O-CD2 3.35Å; L112-Y115 PolarHBondContact O-N 3.32Å; E113-Y115 PolarHBondContact O-N 2.75Å; E113-Y115 VanDerWaalsContact O-N 3.1Å; Y115-S118 WeakPolarHBondContact O-CB 3.48Å; Y115-S118 PolarHBondContact O-N 2.95Å; Y115-N152 HydrophobicContact CD1-CB 4.17Å; Y115-L154 HydrophobicContact CD1-CD2 4.06Å; Y115-L154 HydrophobicContact CD2-CD1 4.04Å; Y115-L154 HydrophobicContact CD2-CD2 3.88Å; Y115-L154 HydrophobicContact CE1-CD2 3.75Å; Y115-L154 HydrophobicContact CE2-CD1 4.31Å; Y115-L154 HydrophobicContact CE2-CD2 3.55Å; Y115-L154 HydrophobicContact CG-CD1 4.45Å; Y115-L154 HydrophobicContact CG-CD2 4.11Å; Y115-L154 VanDerWaalsContact CZ-CD2 3.44Å; Y115-P185 HydrophobicContact CE1-CG 3.75Å; Y115-P185 WeakPolarHBondContact OH-CB 3.46Å; Y115-P185 WeakPolarHBondContact OH-CG 3.36Å; Y115-F187 AromaticContact CE2-CZ 3.91Å; Y115-F187 HydrophobicContact CE2-CZ 3.91Å
116	R	97.8	Very high	97.9	Very high	72 Å²	72	43.5 Å²	43.5	27%	0.272	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	145.8	173.8	-171.5	180	-64.7	-78.6	-3.5	110.5	D96 Y98 E113 S118 V223 D224	D96-R116 IonicContact OD1-CZ 3.79Å; D96-R116 IonicContact OD1-NH1 3.93Å; D96-R116 IonicContact OD1-NH2 2.86Å; D96-R116 PolarHBondContact OD1-NH2 2.94Å; D96-R116 IonicContact OD2-CZ 3.46Å; D96-R116 IonicContact OD2-NH1 3.32Å; D96-R116 PolarHBondContact OD2-NH1 3.26Å; D96-R116 IonicContact OD2-NH2 3.91Å; D96-R116 PolarHBondContact OD2-NH2 3.17Å; Y98-R116 HydrophobicContact CD2-CB 3.82Å; Y98-R116 HydrophobicContact CD2-CG 4.06Å; Y98-R116 HydrophobicContact CE2-CB 4.4Å; Y98-R116 HydrophobicContact CG-CB 4.27Å; E113-R116 VanDerWaalsContact CD-NE 3.33Å; E113-R116 VanDerWaalsContact O-CB 3.23Å; E113-R116 WeakPolarHBondContact O-CB 3.41Å; E113-R116 PolarHBondContact O-N 3.41Å; E113-R116 WeakPolarHBondContact OE1-CD 3.49Å; E113-R116 IonicContact OE1-CZ 3.62Å; E113-R116 IonicContact OE1-NE 2.75Å; E113-R116 PolarHBondContact OE1-NE 3.11Å; E113-R116 IonicContact OE1-NH2 2.78Å; E113-R116 IonicContact OE2-CZ 3.66Å; E113-R116 IonicContact OE2-NE 3.41Å; E113-R116 PolarHBondContact OE2-NE 3.23Å; E113-R116 IonicContact OE2-NH2 3.12Å; E113-R116 PolarHBondContact OE2-NH2 3.35Å; R116-S118 PolarHBondContact O-N 3.28Å; R116-V223 WeakPolarHBondContact CG-O 3.33Å; R116-D224 PolarHBondContact NH1-O 3.16Å
117	G	96.9	Very high	98	Very high	32 Å²	32	34.4 Å²	34.4	33%	0.33	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	1.7	-173.7	0	0	0	0	0	113.7	V223	G117-V223 PolarHBondContact N-O 3.01Å
118	S	98	Very high	98	Very high	15 Å²	15	37.8 Å²	37.8	11%	0.105	19%	0.19	C	C	.	.	S	Bend	trans	-123.6	153.7	173	-58	0	0	0	0	110.6	Y98 Y115 R116 H150 N152	Y98-S118 PolarHBondContact OH-O 2.9Å; Y115-S118 WeakPolarHBondContact O-CB 3.48Å; Y115-S118 PolarHBondContact O-N 2.95Å; R116-S118 PolarHBondContact O-N 3.28Å; S118-H150 CarbonylContact C-O 3.52Å; S118-H150 WeakPolarHBondContact CA-O 3.41Å; S118-H150 VanDerWaalsContact CB-O 3.24Å; S118-H150 WeakPolarHBondContact CB-O 3.38Å; S118-N152 WeakPolarHBondContact CB-ND2 3.47Å
119	V	98.6	Very high	97.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.7	167.3	-175.8	0	0	0	0	108.3	H150 F151 N152 L220 I221 M247 V248 I251	V119-H150 PolarHBondContact N-O 2.91Å; V119-F151 HydrophobicContact CB-CD2 4.05Å; V119-F151 HydrophobicContact CG1-CD2 4.12Å; V119-F151 CarbonylContact O-C 3.32Å; V119-F151 VanDerWaalsContact O-CA 3.25Å; V119-F151 WeakPolarHBondContact O-CA 3.14Å; V119-F151 WeakPolarHBondContact O-CD2 3.19Å; V119-N152 PolarHBondContact O-N 2.86Å; V119-L220 HydrophobicContact CG1-CD1 3.51Å; V119-L220 HydrophobicContact CG1-CG 4.44Å; V119-I221 WeakPolarHBondContact CA-O 3.23Å; V119-I221 WeakPolarHBondContact CG1-O 3.31Å; V119-M247 HydrophobicContact CG1-CE 3.97Å; V119-M247 HydrophobicContact CG1-SD 4.35Å; V119-M247 HydrophobicContact CG2-CB 3.78Å; V119-M247 HydrophobicContact CG2-CE 4.09Å; V119-V248 HydrophobicContact CB-CG2 4.48Å; V119-V248 HydrophobicContact CG2-CG2 4.15Å; V119-I251 HydrophobicContact CG2-CD1 3.71Å
120	S	98.8	Very high	97.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	132	177	-60.2	0	0	0	0	111.8	Y98 N152 I221	Y98-S120 WeakPolarHBondContact CE1-OG 3.35Å; Y98-S120 WeakPolarHBondContact OH-CB 3.23Å; Y98-S120 PolarHBondContact OH-OG 3.46Å; S120-N152 CarbonylContact C-O 3.51Å; S120-N152 VanDerWaalsContact CA-O 3.28Å; S120-N152 WeakPolarHBondContact CA-O 3.35Å; S120-I221 PolarHBondContact N-O 2.86Å; S120-I221 PolarHBondContact O-N 3.33Å
121	L	98.9	Very high	97.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	107.4	168.6	-171.4	69.5	0	0	0	109	V123 L139 L142 F151 N152 V153 L154 K218 L220 I244	L121-V123 HydrophobicContact CD2-CG2 4.26Å; L121-V123 HydrophobicContact CG-CG2 3.94Å; L121-L139 HydrophobicContact CD2-CD2 3.81Å; L121-L142 HydrophobicContact CD2-CD1 3.81Å; L121-F151 HydrophobicContact CB-CE2 3.85Å; L121-F151 HydrophobicContact CB-CZ 3.77Å; L121-N152 PolarHBondContact N-O 3.18Å; L121-V153 WeakPolarHBondContact O-CA 3.28Å; L121-L154 PolarHBondContact O-N 3.42Å; L121-K218 HydrophobicContact CD1-CB 3.98Å; L121-L220 HydrophobicContact CD1-CD1 4.35Å; L121-I244 HydrophobicContact CD1-CD1 4.47Å; L121-I244 HydrophobicContact CD2-CD1 4.26Å
122	V	98.9	Very high	97.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	125.5	-178.6	-179.1	0	0	0	0	109.3	F97 L154 F156 Y201 L204 K218 F219 I221	F97-V122 HydrophobicContact CE1-CG2 3.83Å; F97-V122 HydrophobicContact CE2-CG1 4.33Å; F97-V122 HydrophobicContact CE2-CG2 3.67Å; F97-V122 HydrophobicContact CZ-CB 4.42Å; F97-V122 HydrophobicContact CZ-CG1 4.34Å; F97-V122 HydrophobicContact CZ-CG2 3.24Å; V122-L154 WeakPolarHBondContact CA-O 3.47Å; V122-L154 HydrophobicContact CG2-CB 4.24Å; V122-L154 HydrophobicContact CG2-CD1 4.18Å; V122-F156 HydrophobicContact CG1-CD2 3.83Å; V122-F156 HydrophobicContact CG1-CE2 3.69Å; V122-Y201 HydrophobicContact CG1-CE2 4.47Å; V122-L204 HydrophobicContact CG1-CD1 3.89Å; V122-K218 CarbonylContact O-C 3.52Å; V122-K218 VanDerWaalsContact O-CA 3.31Å; V122-K218 WeakPolarHBondContact O-CA 3.21Å; V122-F219 HydrophobicContact CB-CB 4.34Å; V122-F219 PolarHBondContact N-O 3.33Å; V122-F219 PolarHBondContact O-N 2.84Å; V122-I221 HydrophobicContact CG2-CD1 4.4Å; V122-I221 HydrophobicContact CG2-CG1 3.71Å
123	V	98.9	Very high	97.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	132	-173	-171.6	0	0	0	0	111	L121 V125 L139 L154 F156 Y201 F216 W217 K218	L121-V123 HydrophobicContact CD2-CG2 4.26Å; L121-V123 HydrophobicContact CG-CG2 3.94Å; V123-V125 HydrophobicContact CB-CG1 4.31Å; V123-V125 HydrophobicContact CG1-CG1 3.88Å; V123-L139 HydrophobicContact CG1-CD1 4.32Å; V123-L139 HydrophobicContact CG2-CD2 3.89Å; V123-L154 PolarHBondContact N-O 2.79Å; V123-F156 PolarHBondContact O-N 3.41Å; V123-Y201 VanDerWaalsContact C-OH 3.23Å; V123-F216 HydrophobicContact CG1-CD1 4.28Å; V123-W217 VanDerWaalsContact CA-O 3.3Å; V123-W217 WeakPolarHBondContact CA-O 3.43Å; V123-W217 WeakPolarHBondContact CG1-O 3.27Å; V123-K218 HydrophobicContact CG1-CG 4.23Å; V123-K218 HydrophobicContact CG2-CB 4.23Å; V123-K218 HydrophobicContact CG2-CG 3.88Å
124	N	98.8	Very high	97.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	128.1	166.3	68.3	-56.4	0	0	0	108.9	F156 C158 F161 V192 Y201 W214 N215 F216 W217	N124-F156 CarbonylContact C-O 3.55Å; N124-F156 WeakPolarHBondContact CA-O 3.44Å; N124-C158 HydrophobicContact CB-CB 4.41Å; N124-F161 WeakPolarHBondContact ND2-CE2 3.44Å; N124-V192 HydrophobicContact CB-CG1 4.1Å; N124-Y201 WeakPolarHBondContact CA-OH 3.41Å; N124-Y201 HydrophobicContact CB-CE1 4.24Å; N124-Y201 WeakPolarHBondContact CB-OH 3.44Å; N124-Y201 PolarHBondContact N-OH 2.93Å; N124-W214 PolarHBondContact ND2-O 3.39Å; N124-N215 WeakPolarHBondContact ND2-CA 3.31Å; N124-F216 WeakPolarHBondContact O-CA 3.04Å; N124-F216 PolarHBondContact O-N 3.25Å; N124-W217 PolarHBondContact N-O 3.43Å; N124-W217 VanDerWaalsContact OD1-CA 3.29Å; N124-W217 WeakPolarHBondContact OD1-CA 3.08Å; N124-W217 WeakPolarHBondContact OD1-CB 3.03Å; N124-W217 PolarHBondContact OD1-N 3.02Å; N124-W217 PolarHBondContact OD1-O 2.64Å
125	V	98.6	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	159.1	-171.6	-61.7	0	0	0	0	111.5	V123 Y136 L139 A155 F156 P157 C158 L186 F216	V123-V125 HydrophobicContact CB-CG1 4.31Å; V123-V125 HydrophobicContact CG1-CG1 3.88Å; V125-Y136 HydrophobicContact CB-CE2 4.44Å; V125-Y136 WeakPolarHBondContact CB-OH 3.35Å; V125-Y136 HydrophobicContact CG1-CE1 4.45Å; V125-Y136 WeakPolarHBondContact CG2-OH 3.17Å; V125-L139 HydrophobicContact CG1-CD1 4.39Å; V125-A155 HydrophobicContact CG1-CB 4.16Å; V125-A155 HydrophobicContact CG2-CB 4.27Å; V125-F156 PolarHBondContact N-O 3.44Å; V125-P157 HydrophobicContact CG2-CB 4.31Å; V125-P157 HydrophobicContact CG2-CG 4.08Å; V125-P157 WeakPolarHBondContact O-CA 3.4Å; V125-C158 PolarHBondContact O-N 3.43Å; V125-L186 HydrophobicContact CG2-CD1 4.33Å; V125-F216 HydrophobicContact CB-CE1 4.13Å; V125-F216 HydrophobicContact CG1-CD1 4.24Å; V125-F216 HydrophobicContact CG1-CE1 3.94Å
126	A	98.3	Very high	97.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.175	C	C	.	.			trans	-142.1	144.5	175.6	0	0	0	0	0	109.2	C129 T132 Q164 E165 N215 F216	A126-C129 HydrophobicContact CB-CB 3.96Å; A126-T132 PolarHBondContact O-OG1 2.81Å; A126-T132 VanDerWaalsContact O-OG1 3.11Å; A126-Q164 HydrophobicContact CB-CB 3.97Å; A126-E165 VanDerWaalsContact C-OE2 3.31Å; A126-E165 WeakPolarHBondContact CA-OE2 3.22Å; A126-E165 HydrophobicContact CB-CB 4.42Å; A126-E165 PolarHBondContact N-OE2 3.41Å; A126-N215 HydrophobicContact CB-CB 3.9Å; A126-N215 WeakPolarHBondContact CB-ND2 3.3Å; A126-F216 WeakPolarHBondContact O-CZ 3.4Å
127	S	97.1	Very high	97.6	Very high	20 Å²	20	32.4 Å²	32.4	14%	0.14	18%	0.184	C	C	.	.	S	Bend	trans	-87.8	-25	178.6	-59.5	0	0	0	0	113.8	T132 Q164 E165 F175	S127-T132 WeakPolarHBondContact O-CG2 3.45Å; S127-T132 PolarHBondContact O-OG1 3.22Å; S127-Q164 PolarHBondContact N-O 2.74Å; S127-Q164 VanDerWaalsContact N-O 3.16Å; S127-E165 WeakPolarHBondContact CB-OE1 3.48Å; S127-E165 VanDerWaalsContact N-CD 3.29Å; S127-E165 PolarHBondContact N-OE1 3.43Å; S127-E165 PolarHBondContact N-OE2 3.33Å; S127-E165 PolarHBondContact OG-OE1 2.78Å; S127-F175 VanDerWaalsContact CB-CE1 3.47Å; S127-F175 VanDerWaalsContact OG-CD1 3.3Å; S127-F175 WeakPolarHBondContact OG-CD1 3.26Å
128	E	96	Very high	97.7	Very high	127 Å²	127	31.7 Å²	31.7	59%	0.593	17%	0.172	S	C	*	.	S	Bend	trans	-113	31.4	-173.9	-60.3	-179.2	-165.6	0	0	112.3	Q164 P166	E128-Q164 HydrophobicContact CB-CB 4.2Å; E128-Q164 WeakPolarHBondContact CB-O 3.49Å; E128-Q164 PolarHBondContact N-O 2.89Å; E128-Q164 VanDerWaalsContact O-CD 3.32Å; E128-Q164 WeakPolarHBondContact O-CG 3.38Å; E128-Q164 PolarHBondContact O-NE2 3.43Å; E128-P166 WeakPolarHBondContact OE1-CG 3.3Å
129	C	95.6	Very high	97.7	Very high	12 Å²	12	31 Å²	31	8%	0.081	17%	0.167	C	C	.	.	S	Bend	trans	-99	148.1	177.5	-172.2	0	0	0	0	111.6	A126 F131 T132 Q164 N215 F216	A126-C129 HydrophobicContact CB-CB 3.96Å; C129-F131 PolarHBondContact O-N 3.1Å; C129-F131 VanDerWaalsContact O-N 3.09Å; C129-T132 WeakPolarHBondContact CA-OG1 3.34Å; C129-T132 WeakPolarHBondContact CB-OG1 3.32Å; C129-T132 PolarHBondContact N-OG1 3.14Å; C129-T132 WeakPolarHBondContact O-CB 3.31Å; C129-T132 PolarHBondContact O-N 3.06Å; C129-T132 PolarHBondContact O-OG1 3.18Å; C129-Q164 HydrophobicContact CB-CB 4.44Å; C129-Q164 PolarHBondContact SG-OE1 3.04Å; C129-N215 HydrophobicContact CB-CB 4.45Å; C129-F216 HydrophobicContact CB-CE2 3.89Å
130	G	94.8	Very high	97.7	Very high	83 Å²	83	31.2 Å²	31.2	86%	0.856	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.6	173.4	0	0	0	0	0	114.2
131	F	94.9	Very high	97.7	Very high	77 Å²	77	34.4 Å²	34.4	34%	0.338	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-8.9	175.4	-68.8	-56.7	0	0	0	113.8	C129 D133 H135 F216 P233	C129-F131 PolarHBondContact O-N 3.1Å; C129-F131 VanDerWaalsContact O-N 3.09Å; F131-D133 PolarHBondContact O-N 2.91Å; F131-H135 WeakPolarHBondContact O-CB 3.26Å; F131-H135 PolarHBondContact O-CD2 3.26Å; F131-H135 PolarHBondContact O-N 3.41Å; F131-H135 VanDerWaalsContact O-N 3.09Å; F131-F216 HydrophobicContact CB-CD2 3.59Å; F131-F216 HydrophobicContact CB-CE2 3.92Å; F131-F216 HydrophobicContact CB-CG 4.39Å; F131-P233 HydrophobicContact CD2-CB 4Å; F131-P233 HydrophobicContact CE2-CB 3.88Å; F131-P233 HydrophobicContact CZ-CB 4.41Å
132	T	96.6	Very high	97.7	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-55.9	-55.7	-168.9	-56.1	0	0	0	0	112.9	A126 S127 C129 Q134 H135 Y136 F175 Y180	A126-T132 PolarHBondContact O-OG1 2.81Å; A126-T132 VanDerWaalsContact O-OG1 3.11Å; S127-T132 WeakPolarHBondContact O-CG2 3.45Å; S127-T132 PolarHBondContact O-OG1 3.22Å; C129-T132 WeakPolarHBondContact CA-OG1 3.34Å; C129-T132 WeakPolarHBondContact CB-OG1 3.32Å; C129-T132 PolarHBondContact N-OG1 3.14Å; C129-T132 WeakPolarHBondContact O-CB 3.31Å; C129-T132 PolarHBondContact O-N 3.06Å; C129-T132 PolarHBondContact O-OG1 3.18Å; T132-Q134 PolarHBondContact O-N 2.88Å; T132-H135 PolarHBondContact O-N 2.89Å; T132-Y136 HydrophobicContact CG2-CD2 3.5Å; T132-Y136 VanDerWaalsContact CG2-CD2 3.5Å; T132-Y136 HydrophobicContact CG2-CE2 3.74Å; T132-Y136 WeakPolarHBondContact O-CB 3.48Å; T132-Y136 WeakPolarHBondContact O-CD2 3.46Å; T132-Y136 PolarHBondContact O-N 2.88Å; T132-F175 HydrophobicContact CG2-CE1 4.26Å; T132-F175 HydrophobicContact CG2-CZ 4.45Å; T132-Y180 HydrophobicContact CG2-CE2 4.28Å; T132-Y180 WeakPolarHBondContact CG2-OH 3.16Å
133	D	97.5	Very high	97.7	Very high	71 Å²	71	35.3 Å²	35.3	38%	0.38	19%	0.188	S	C	.	.	H	α-helix	trans	-61.5	-50.6	-169.9	-174.9	77.8	0	0	0	111.7	F131 R137 Y180	F131-D133 PolarHBondContact O-N 2.91Å; D133-R137 VanDerWaalsContact CG-NE 3.31Å; D133-R137 WeakPolarHBondContact O-CB 3.45Å; D133-R137 VanDerWaalsContact O-CG 3.22Å; D133-R137 WeakPolarHBondContact O-CG 3.49Å; D133-R137 PolarHBondContact O-N 3.5Å; D133-R137 IonicContact OD1-CZ 2.76Å; D133-R137 IonicContact OD1-NE 3.38Å; D133-R137 PolarHBondContact OD1-NE 3.23Å; D133-R137 VanDerWaalsContact OD1-NE 3.14Å; D133-R137 IonicContact OD1-NH2 3.89Å; D133-R137 PolarHBondContact OD1-NH2 3.41Å; D133-R137 IonicContact OD2-CZ 2.98Å; D133-R137 IonicContact OD2-NE 3.72Å; D133-R137 PolarHBondContact OD2-NE 3.25Å; D133-R137 IonicContact OD2-NH2 2.9Å; D133-Y180 HydrophobicContact CB-CE1 4.47Å; D133-Y180 WeakPolarHBondContact OD1-CE1 3.42Å
134	Q	97.9	Very high	97.7	Very high	108 Å²	108	41.4 Å²	41.4	51%	0.505	21%	0.211	S	C	.	.	H	α-helix	trans	-66.5	-46.3	-179.4	-171.1	62.5	52.4	0	0	112.1	T132 Y136 R137 D138	T132-Q134 PolarHBondContact O-N 2.88Å; Q134-Y136 PolarHBondContact O-N 3.49Å; Q134-R137 PolarHBondContact O-N 3.45Å; Q134-D138 PolarHBondContact NE2-OD1 3.18Å; Q134-D138 PolarHBondContact O-N 3.09Å
135	H	98.3	Very high	97.7	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.046	22%	0.222	C	C	.	.	H	α-helix	trans	-66.9	-41.1	-176.3	-78.8	-89.1	0	0	0	111.6	F131 T132 R137 D138 L139 F216 K218 P233 I237	F131-H135 WeakPolarHBondContact O-CB 3.26Å; F131-H135 PolarHBondContact O-CD2 3.26Å; F131-H135 PolarHBondContact O-N 3.41Å; F131-H135 VanDerWaalsContact O-N 3.09Å; T132-H135 PolarHBondContact O-N 2.89Å; H135-R137 PolarHBondContact O-N 3.07Å; H135-D138 PolarHBondContact O-N 2.88Å; H135-L139 WeakPolarHBondContact O-CB 3.41Å; H135-L139 WeakPolarHBondContact O-CG 3.48Å; H135-L139 PolarHBondContact O-N 3Å; H135-F216 HydrophobicContact CB-CD1 3.35Å; H135-F216 HydrophobicContact CB-CE1 3.57Å; H135-F216 HydrophobicContact CB-CG 3.9Å; H135-F216 HydrophobicContact CB-CZ 4.3Å; H135-F216 AromaticContact CG-CD1 3.78Å; H135-F216 AromaticContact CG-CG 3.85Å; H135-K218 PolarHBondContact CE1-NZ 3.35Å; H135-K218 WeakPolarHBondContact ND1-CE 3.44Å; H135-P233 PolarHBondContact CE1-O 2.95Å; H135-P233 PolarHBondContact NE2-O 3Å; H135-I237 HydrophobicContact CB-CD1 4.07Å; H135-I237 WeakPolarHBondContact ND1-CD1 3.48Å
136	Y	98.5	Very high	97.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-39.4	176	-88.6	-68.7	0	0	0	112.9	V125 T132 Q134 L139 Q140 V176 Y180 F184 F216	V125-Y136 HydrophobicContact CB-CE2 4.44Å; V125-Y136 WeakPolarHBondContact CB-OH 3.35Å; V125-Y136 HydrophobicContact CG1-CE1 4.45Å; V125-Y136 WeakPolarHBondContact CG2-OH 3.17Å; T132-Y136 HydrophobicContact CG2-CD2 3.5Å; T132-Y136 VanDerWaalsContact CG2-CD2 3.5Å; T132-Y136 HydrophobicContact CG2-CE2 3.74Å; T132-Y136 WeakPolarHBondContact O-CB 3.48Å; T132-Y136 WeakPolarHBondContact O-CD2 3.46Å; T132-Y136 PolarHBondContact O-N 2.88Å; Q134-Y136 PolarHBondContact O-N 3.49Å; Y136-L139 PolarHBondContact O-N 3.21Å; Y136-Q140 WeakPolarHBondContact O-CB 3.24Å; Y136-Q140 PolarHBondContact O-N 3.42Å; Y136-V176 HydrophobicContact CD1-CG1 3.86Å; Y136-V176 HydrophobicContact CE1-CB 4.22Å; Y136-V176 HydrophobicContact CE1-CG1 3.41Å; Y136-V176 VanDerWaalsContact CE1-CG1 3.41Å; Y136-V176 HydrophobicContact CE1-CG2 3.7Å; Y136-V176 HydrophobicContact CE2-CG2 4.22Å; Y136-V176 VanDerWaalsContact CZ-CG2 3.47Å; Y136-V176 WeakPolarHBondContact OH-CG2 3.32Å; Y136-Y180 HydrophobicContact CD1-CD2 4.28Å; Y136-Y180 HydrophobicContact CD2-CD2 4.12Å; Y136-Y180 AromaticContact CD2-CE2 3.83Å; Y136-Y180 HydrophobicContact CD2-CE2 3.83Å; Y136-Y180 AromaticContact CG-CD2 3.78Å; Y136-Y180 HydrophobicContact CG-CD2 3.78Å; Y136-Y180 AromaticContact CG-CE2 3.95Å; Y136-Y180 HydrophobicContact CG-CE2 3.95Å; Y136-Y180 HydrophobicContact CG-CG 4.18Å; Y136-F184 AromaticContact CD1-CZ 3.95Å; Y136-F184 HydrophobicContact CD1-CZ 3.95Å; Y136-F184 HydrophobicContact CE1-CE2 4.46Å; Y136-F184 HydrophobicContact CE1-CZ 4.13Å; Y136-F216 HydrophobicContact CD2-CE1 4.28Å; Y136-F216 HydrophobicContact CD2-CZ 4.25Å; Y136-F216 HydrophobicContact CE2-CE1 4.23Å; Y136-F216 HydrophobicContact CE2-CZ 4.11Å
137	R	98.4	Very high	97.6	Very high	120 Å²	120	45.5 Å²	45.5	45%	0.453	24%	0.237	S	C	.	.	H	α-helix	trans	-61.2	-46	175.2	-73	175.8	-167.1	-67	-11.4	111.5	D133 Q134 H135 Q140 Q141 Y180	D133-R137 VanDerWaalsContact CG-NE 3.31Å; D133-R137 WeakPolarHBondContact O-CB 3.45Å; D133-R137 VanDerWaalsContact O-CG 3.22Å; D133-R137 WeakPolarHBondContact O-CG 3.49Å; D133-R137 PolarHBondContact O-N 3.5Å; D133-R137 IonicContact OD1-CZ 2.76Å; D133-R137 IonicContact OD1-NE 3.38Å; D133-R137 PolarHBondContact OD1-NE 3.23Å; D133-R137 VanDerWaalsContact OD1-NE 3.14Å; D133-R137 IonicContact OD1-NH2 3.89Å; D133-R137 PolarHBondContact OD1-NH2 3.41Å; D133-R137 IonicContact OD2-CZ 2.98Å; D133-R137 IonicContact OD2-NE 3.72Å; D133-R137 PolarHBondContact OD2-NE 3.25Å; D133-R137 IonicContact OD2-NH2 2.9Å; Q134-R137 PolarHBondContact O-N 3.45Å; H135-R137 PolarHBondContact O-N 3.07Å; R137-Q140 PolarHBondContact O-N 3.42Å; R137-Q141 WeakPolarHBondContact O-CB 3.37Å; R137-Q141 PolarHBondContact O-N 3.05Å; R137-Y180 HydrophobicContact CG-CD1 4.21Å
138	D	98.6	Very high	97.6	Very high	17 Å²	17	49.3 Å²	49.3	9%	0.091	26%	0.261	C	S	.	.	H	α-helix	trans	-67.7	-42.3	179.7	-69.2	-7.8	0	0	0	111.9	Q134 H135 Q140 Q141 L142 I237	Q134-D138 PolarHBondContact NE2-OD1 3.18Å; Q134-D138 PolarHBondContact O-N 3.09Å; H135-D138 PolarHBondContact O-N 2.88Å; D138-Q140 VanDerWaalsContact C-N 3.32Å; D138-Q140 PolarHBondContact O-N 3.41Å; D138-Q141 WeakPolarHBondContact O-CB 3.35Å; D138-Q141 PolarHBondContact O-N 3.34Å; D138-L142 WeakPolarHBondContact O-CG 3.16Å; D138-L142 PolarHBondContact O-N 2.95Å; D138-I237 HydrophobicContact CB-CB 3.67Å; D138-I237 HydrophobicContact CB-CD1 3.86Å; D138-I237 HydrophobicContact CB-CG1 4.35Å; D138-I237 HydrophobicContact CB-CG2 3.79Å
139	L	98.8	Very high	97.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-44.9	174.7	-71.6	176	0	0	0	111.3	L121 V123 V125 H135 Y136 Q141 L142 Q143 V153 F184 I237	L121-L139 HydrophobicContact CD2-CD2 3.81Å; V123-L139 HydrophobicContact CG1-CD1 4.32Å; V123-L139 HydrophobicContact CG2-CD2 3.89Å; V125-L139 HydrophobicContact CG1-CD1 4.39Å; H135-L139 WeakPolarHBondContact O-CB 3.41Å; H135-L139 WeakPolarHBondContact O-CG 3.48Å; H135-L139 PolarHBondContact O-N 3Å; Y136-L139 PolarHBondContact O-N 3.21Å; L139-Q141 VanDerWaalsContact C-N 3.32Å; L139-Q141 PolarHBondContact O-N 3.4Å; L139-L142 PolarHBondContact O-N 2.82Å; L139-Q143 PolarHBondContact O-N 2.85Å; L139-V153 HydrophobicContact CB-CG1 4.3Å; L139-V153 HydrophobicContact CB-CG2 4.44Å; L139-V153 HydrophobicContact CD1-CG1 4.3Å; L139-V153 HydrophobicContact CD2-CG1 3.92Å; L139-V153 HydrophobicContact CD2-CG2 4.19Å; L139-V153 HydrophobicContact CG-CG1 4.38Å; L139-F184 HydrophobicContact CB-CE1 3.94Å; L139-F184 HydrophobicContact CB-CZ 4.2Å; L139-I237 HydrophobicContact CD2-CD1 3.58Å; L139-I237 HydrophobicContact CG-CD1 3.6Å
140	Q	98.6	Very high	97.6	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.028	27%	0.265	C	S	.	.	H	α-helix	trans	-67.2	-35.5	177.2	-177.2	55.4	25	0	0	111.5	Y136 R137 D138 Q143 R144 G181 A182 S183 F184	Y136-Q140 WeakPolarHBondContact O-CB 3.24Å; Y136-Q140 PolarHBondContact O-N 3.42Å; R137-Q140 PolarHBondContact O-N 3.42Å; D138-Q140 VanDerWaalsContact C-N 3.32Å; D138-Q140 PolarHBondContact O-N 3.41Å; Q140-Q143 PolarHBondContact O-N 2.95Å; Q140-R144 VanDerWaalsContact CG-NH1 3.32Å; Q140-R144 WeakPolarHBondContact O-CG 3.31Å; Q140-R144 PolarHBondContact O-N 2.7Å; Q140-G181 PolarHBondContact NE2-O 3.09Å; Q140-A182 VanDerWaalsContact OE1-CA 3.26Å; Q140-S183 PolarHBondContact NE2-OG 2.92Å; Q140-S183 PolarHBondContact OE1-OG 3.26Å; Q140-F184 HydrophobicContact CB-CE1 4.16Å; Q140-F184 VanDerWaalsContact OE1-CD1 3.31Å
141	Q	98.6	Very high	97.8	Very high	66 Å²	66	46.9 Å²	46.9	31%	0.308	22%	0.224	S	C	.	.	H	α-helix	trans	-61.2	-48.2	172.8	-173.9	64.4	38.3	0	0	111.4	R137 D138 L139 Q143 R144 D145	R137-Q141 WeakPolarHBondContact O-CB 3.37Å; R137-Q141 PolarHBondContact O-N 3.05Å; D138-Q141 WeakPolarHBondContact O-CB 3.35Å; D138-Q141 PolarHBondContact O-N 3.34Å; L139-Q141 VanDerWaalsContact C-N 3.32Å; L139-Q141 PolarHBondContact O-N 3.4Å; Q141-Q143 VanDerWaalsContact C-N 3.31Å; Q141-Q143 PolarHBondContact O-N 2.83Å; Q141-R144 PolarHBondContact O-N 2.89Å; Q141-D145 PolarHBondContact NE2-OD1 3.33Å; Q141-D145 WeakPolarHBondContact O-CB 3.5Å; Q141-D145 PolarHBondContact O-N 2.91Å
142	L	98.6	Very high	97.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.7	-43.4	175.7	-70	-174.1	0	0	0	112	L121 D138 L139 R144 D145 F146 F151 I237 R241 I244	L121-L142 HydrophobicContact CD2-CD1 3.81Å; D138-L142 WeakPolarHBondContact O-CG 3.16Å; D138-L142 PolarHBondContact O-N 2.95Å; L139-L142 PolarHBondContact O-N 2.82Å; L142-R144 VanDerWaalsContact C-N 3.31Å; L142-R144 PolarHBondContact O-N 2.98Å; L142-D145 PolarHBondContact O-N 3.34Å; L142-F146 HydrophobicContact CD2-CD2 4.07Å; L142-F146 HydrophobicContact CD2-CE2 3.8Å; L142-F146 PolarHBondContact O-N 2.82Å; L142-F151 HydrophobicContact CB-CE1 3.76Å; L142-F151 HydrophobicContact CB-CZ 4.14Å; L142-F151 HydrophobicContact CD1-CZ 4.23Å; L142-I237 HydrophobicContact CD1-CG2 3.26Å; L142-I237 HydrophobicContact CG-CG2 3.84Å; L142-R241 HydrophobicContact CD2-CB 3.96Å; L142-R241 HydrophobicContact CD2-CG 3.65Å; L142-I244 HydrophobicContact CD1-CD1 3.75Å
143	Q	98.6	Very high	98	Very high	19 Å²	19	44.4 Å²	44.4	9%	0.089	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-38.2	178.4	-175.3	62.8	54	0	0	111.9	L139 Q140 Q141 G147 V153 F184	L139-Q143 PolarHBondContact O-N 2.85Å; Q140-Q143 PolarHBondContact O-N 2.95Å; Q141-Q143 VanDerWaalsContact C-N 3.31Å; Q141-Q143 PolarHBondContact O-N 2.83Å; Q143-G147 WeakPolarHBondContact O-CA 3.36Å; Q143-G147 PolarHBondContact O-N 2.96Å; Q143-V153 HydrophobicContact CB-CG2 4.38Å; Q143-F184 HydrophobicContact CB-CB 4.32Å; Q143-F184 HydrophobicContact CB-CD1 4Å; Q143-F184 HydrophobicContact CG-CB 3.81Å; Q143-F184 HydrophobicContact CG-CD1 4.27Å
144	R	98.4	Very high	98.1	Very high	129 Å²	129	41 Å²	41	49%	0.487	20%	0.196	S	C	.	.	H	α-helix	trans	-67	-46.9	174.7	-74.2	-172.6	-63.4	-109.9	-3.7	111.8	Q140 Q141 L142	Q140-R144 VanDerWaalsContact CG-NH1 3.32Å; Q140-R144 WeakPolarHBondContact O-CG 3.31Å; Q140-R144 PolarHBondContact O-N 2.7Å; Q141-R144 PolarHBondContact O-N 2.89Å; L142-R144 VanDerWaalsContact C-N 3.31Å; L142-R144 PolarHBondContact O-N 2.98Å
145	D	98.1	Very high	98.2	Very high	44 Å²	44	35.9 Å²	35.9	24%	0.235	17%	0.172	C	C	.	.	H	α-helix	trans	-68.4	-44	-174.5	-74.7	2.7	0	0	0	112.3	Q141 L142 F149 R241	Q141-D145 PolarHBondContact NE2-OD1 3.33Å; Q141-D145 WeakPolarHBondContact O-CB 3.5Å; Q141-D145 PolarHBondContact O-N 2.91Å; L142-D145 PolarHBondContact O-N 3.34Å; D145-F149 WeakPolarHBondContact O-CD2 3.28Å; D145-F149 WeakPolarHBondContact O-CE2 3.33Å; D145-R241 IonicContact OD2-CZ 3.54Å; D145-R241 IonicContact OD2-NE 3.34Å; D145-R241 PolarHBondContact OD2-NE 3.02Å; D145-R241 IonicContact OD2-NH2 2.84Å; D145-R241 PolarHBondContact OD2-NH2 3.06Å
146	F	98.4	Very high	98.2	Very high	20 Å²	20	35.4 Å²	35.4	9%	0.088	17%	0.17	C	C	.	.	H	α-helix	trans	-113.9	-14.9	-169.7	-56.9	-53.8	0	0	0	114.4	L142 P148 F149 F151 R241 I244 A245 V248	L142-F146 HydrophobicContact CD2-CD2 4.07Å; L142-F146 HydrophobicContact CD2-CE2 3.8Å; L142-F146 PolarHBondContact O-N 2.82Å; F146-P148 VanDerWaalsContact C-N 3.34Å; F146-F149 CarbonylContact O-C 3.4Å; F146-F149 WeakPolarHBondContact O-CA 3.23Å; F146-F149 PolarHBondContact O-N 2.81Å; F146-F151 HydrophobicContact CB-CB 3.51Å; F146-F151 HydrophobicContact CB-CD1 3.7Å; F146-F151 HydrophobicContact CB-CG 3.74Å; F146-F151 WeakPolarHBondContact O-CB 3.5Å; F146-F151 PolarHBondContact O-N 2.98Å; F146-R241 HydrophobicContact CE2-CG 3.89Å; F146-R241 HydrophobicContact CZ-CG 4.16Å; F146-I244 HydrophobicContact CD2-CG2 3.76Å; F146-I244 HydrophobicContact CE2-CG2 4.05Å; F146-I244 HydrophobicContact CG-CG2 4.4Å; F146-A245 HydrophobicContact CE1-CB 3.93Å; F146-A245 HydrophobicContact CZ-CB 3.62Å; F146-V248 HydrophobicContact CB-CG2 4.37Å; F146-V248 HydrophobicContact CD1-CG1 4.39Å
147	G	97.6	Very high	98.2	Very high	22 Å²	22	35.4 Å²	35.4	23%	0.227	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-49.7	-46.5	179.5	0	0	0	0	0	114.5	Q143 F149 F151	Q143-G147 WeakPolarHBondContact O-CA 3.36Å; Q143-G147 PolarHBondContact O-N 2.96Å; G147-F149 PolarHBondContact O-N 3.12Å; G147-F149 VanDerWaalsContact O-N 3.15Å; G147-F151 WeakPolarHBondContact CA-O 3.44Å
148	P	96.8	Very high	98.2	Very high	99 Å²	99	29.7 Å²	29.7	64%	0.643	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	-64.1	-13.2	175	-24.1	35.8	0	0	0	114.9	F146	F146-P148 VanDerWaalsContact C-N 3.34Å
149	F	95.6	Very high	98.2	Very high	105 Å²	105	31.2 Å²	31.2	46%	0.461	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-118.6	41.3	-170	-54.8	-71.4	0	0	0	112.5	D145 F146 G147 V248 I252	D145-F149 WeakPolarHBondContact O-CD2 3.28Å; D145-F149 WeakPolarHBondContact O-CE2 3.33Å; F146-F149 CarbonylContact O-C 3.4Å; F146-F149 WeakPolarHBondContact O-CA 3.23Å; F146-F149 PolarHBondContact O-N 2.81Å; G147-F149 PolarHBondContact O-N 3.12Å; G147-F149 VanDerWaalsContact O-N 3.15Å; F149-V248 HydrophobicContact CB-CG1 3.69Å; F149-V248 WeakPolarHBondContact O-CG1 3.34Å; F149-I252 HydrophobicContact CB-CD1 4.24Å; F149-I252 HydrophobicContact CD1-CD1 4.11Å; F149-I252 HydrophobicContact CG-CD1 4.44Å
150	H	96.1	Very high	98.2	Very high	66 Å²	66	35.1 Å²	35.1	31%	0.306	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	47.2	178.2	-55.7	-66	0	0	0	114.3	S118 V119 I251 K255	S118-H150 CarbonylContact C-O 3.52Å; S118-H150 WeakPolarHBondContact CA-O 3.41Å; S118-H150 VanDerWaalsContact CB-O 3.24Å; S118-H150 WeakPolarHBondContact CB-O 3.38Å; V119-H150 PolarHBondContact N-O 2.91Å; H150-I251 HydrophobicContact CB-CD1 4.06Å; H150-I251 HydrophobicContact CB-CG2 4.16Å; H150-K255 PolarHBondContact CE1-NZ 3.42Å; H150-K255 PolarHBondContact NE2-NZ 3.33Å
151	F	98.6	Very high	98.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.1	170.5	172.3	-99.6	0	0	0	112.2	V119 L121 L142 F146 G147 V153 I244 V248	V119-F151 HydrophobicContact CB-CD2 4.05Å; V119-F151 HydrophobicContact CG1-CD2 4.12Å; V119-F151 CarbonylContact O-C 3.32Å; V119-F151 VanDerWaalsContact O-CA 3.25Å; V119-F151 WeakPolarHBondContact O-CA 3.14Å; V119-F151 WeakPolarHBondContact O-CD2 3.19Å; L121-F151 HydrophobicContact CB-CE2 3.85Å; L121-F151 HydrophobicContact CB-CZ 3.77Å; L142-F151 HydrophobicContact CB-CE1 3.76Å; L142-F151 HydrophobicContact CB-CZ 4.14Å; L142-F151 HydrophobicContact CD1-CZ 4.23Å; F146-F151 HydrophobicContact CB-CB 3.51Å; F146-F151 HydrophobicContact CB-CD1 3.7Å; F146-F151 HydrophobicContact CB-CG 3.74Å; F146-F151 WeakPolarHBondContact O-CB 3.5Å; F146-F151 PolarHBondContact O-N 2.98Å; G147-F151 WeakPolarHBondContact CA-O 3.44Å; F151-V153 HydrophobicContact CE1-CG2 3.7Å; F151-V153 HydrophobicContact CZ-CG2 3.88Å; F151-I244 HydrophobicContact CD2-CG2 3.59Å; F151-I244 HydrophobicContact CE2-CD1 3.98Å; F151-I244 HydrophobicContact CE2-CG1 4.36Å; F151-I244 HydrophobicContact CE2-CG2 3.61Å; F151-I244 HydrophobicContact CG-CG2 4.27Å; F151-I244 HydrophobicContact CZ-CD1 4.18Å; F151-I244 HydrophobicContact CZ-CG2 4.29Å; F151-V248 HydrophobicContact CB-CG2 3.98Å
152	N	98.3	Very high	98	Very high	30 Å²	30	35.2 Å²	35.2	16%	0.16	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	134.2	174.3	-62.4	-86.1	0	0	0	111.9	Y115 S118 V119 S120 L121 L154	Y115-N152 HydrophobicContact CD1-CB 4.17Å; S118-N152 WeakPolarHBondContact CB-ND2 3.47Å; V119-N152 PolarHBondContact O-N 2.86Å; S120-N152 CarbonylContact C-O 3.51Å; S120-N152 VanDerWaalsContact CA-O 3.28Å; S120-N152 WeakPolarHBondContact CA-O 3.35Å; L121-N152 PolarHBondContact N-O 3.18Å; N152-L154 HydrophobicContact CB-CD2 4.14Å
153	V	98.8	Very high	97.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	131.8	159.3	175.7	0	0	0	0	108.9	L121 L139 Q143 F151 F184 P185	L121-V153 WeakPolarHBondContact O-CA 3.28Å; L139-V153 HydrophobicContact CB-CG1 4.3Å; L139-V153 HydrophobicContact CB-CG2 4.44Å; L139-V153 HydrophobicContact CD1-CG1 4.3Å; L139-V153 HydrophobicContact CD2-CG1 3.92Å; L139-V153 HydrophobicContact CD2-CG2 4.19Å; L139-V153 HydrophobicContact CG-CG1 4.38Å; Q143-V153 HydrophobicContact CB-CG2 4.38Å; F151-V153 HydrophobicContact CE1-CG2 3.7Å; F151-V153 HydrophobicContact CZ-CG2 3.88Å; V153-F184 HydrophobicContact CB-CB 3.73Å; V153-F184 HydrophobicContact CB-CD1 4.11Å; V153-F184 HydrophobicContact CB-CD2 4.26Å; V153-F184 HydrophobicContact CB-CG 3.79Å; V153-F184 HydrophobicContact CG1-CB 4.32Å; V153-F184 HydrophobicContact CG1-CD1 4.25Å; V153-F184 HydrophobicContact CG1-CD2 3.9Å; V153-F184 HydrophobicContact CG1-CE2 4.23Å; V153-F184 HydrophobicContact CG1-CG 3.91Å; V153-P185 VanDerWaalsContact O-CD 3.31Å; V153-P185 WeakPolarHBondContact O-CD 3.42Å
154	L	98.8	Very high	97.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	96	178.3	-60.6	-173.2	0	0	0	108.8	F97 Y115 L121 V122 V123 N152 F156 P185 F187	F97-L154 HydrophobicContact CE1-CD1 3.69Å; F97-L154 HydrophobicContact CZ-CD1 3.97Å; Y115-L154 HydrophobicContact CD1-CD2 4.06Å; Y115-L154 HydrophobicContact CD2-CD1 4.04Å; Y115-L154 HydrophobicContact CD2-CD2 3.88Å; Y115-L154 HydrophobicContact CE1-CD2 3.75Å; Y115-L154 HydrophobicContact CE2-CD1 4.31Å; Y115-L154 HydrophobicContact CE2-CD2 3.55Å; Y115-L154 HydrophobicContact CG-CD1 4.45Å; Y115-L154 HydrophobicContact CG-CD2 4.11Å; Y115-L154 VanDerWaalsContact CZ-CD2 3.44Å; L121-L154 PolarHBondContact O-N 3.42Å; V122-L154 WeakPolarHBondContact CA-O 3.47Å; V122-L154 HydrophobicContact CG2-CB 4.24Å; V122-L154 HydrophobicContact CG2-CD1 4.18Å; V123-L154 PolarHBondContact N-O 2.79Å; N152-L154 HydrophobicContact CB-CD2 4.14Å; L154-F156 HydrophobicContact CB-CE2 4.04Å; L154-F156 WeakPolarHBondContact O-CD2 3.39Å; L154-P185 HydrophobicContact CD2-CB 4.14Å; L154-P185 HydrophobicContact CD2-CG 4.08Å; L154-F187 HydrophobicContact CB-CE2 3.87Å; L154-F187 HydrophobicContact CD2-CE2 4.01Å; L154-F187 HydrophobicContact CD2-CZ 4.11Å; L154-F187 HydrophobicContact CG-CE2 4.43Å
155	A	98.8	Very high	97.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126	-171.8	0	0	0	0	0	112.5	V125 F184 P185 L186 F187	V125-A155 HydrophobicContact CG1-CB 4.16Å; V125-A155 HydrophobicContact CG2-CB 4.27Å; A155-F184 HydrophobicContact CB-CD2 4.01Å; A155-F184 HydrophobicContact CB-CE2 3.7Å; A155-P185 PolarHBondContact N-O 2.83Å; A155-P185 VanDerWaalsContact N-O 3.13Å; A155-L186 HydrophobicContact CB-CD1 3.65Å; A155-F187 WeakPolarHBondContact O-CD2 3.21Å; A155-F187 PolarHBondContact O-N 3.26Å
156	F	98.8	Very high	97.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	101.3	-178	-68.6	-90.2	0	0	0	110.5	V102 V122 V123 N124 V125 L154 F187 I190 Y201	V102-F156 HydrophobicContact CB-CE1 4.21Å; V102-F156 HydrophobicContact CG1-CE1 3.96Å; V102-F156 HydrophobicContact CG1-CZ 4.4Å; V102-F156 HydrophobicContact CG2-CE1 4.24Å; V102-F156 HydrophobicContact CG2-CZ 4.49Å; V122-F156 HydrophobicContact CG1-CD2 3.83Å; V122-F156 HydrophobicContact CG1-CE2 3.69Å; V123-F156 PolarHBondContact O-N 3.41Å; N124-F156 CarbonylContact C-O 3.55Å; N124-F156 WeakPolarHBondContact CA-O 3.44Å; V125-F156 PolarHBondContact N-O 3.44Å; L154-F156 HydrophobicContact CB-CE2 4.04Å; L154-F156 WeakPolarHBondContact O-CD2 3.39Å; F156-F187 HydrophobicContact CD1-CB 3.64Å; F156-F187 AromaticContact CD1-CD2 3.87Å; F156-F187 HydrophobicContact CD1-CD2 3.87Å; F156-F187 AromaticContact CD1-CG 3.96Å; F156-F187 HydrophobicContact CD1-CG 3.96Å; F156-F187 HydrophobicContact CD2-CD2 4.05Å; F156-F187 HydrophobicContact CE1-CB 3.72Å; F156-F187 HydrophobicContact CE1-CD1 4.31Å; F156-F187 AromaticContact CE1-CD2 3.49Å; F156-F187 HydrophobicContact CE1-CD2 3.49Å; F156-F187 VanDerWaalsContact CE1-CD2 3.49Å; F156-F187 HydrophobicContact CE1-CE2 4.17Å; F156-F187 AromaticContact CE1-CG 3.57Å; F156-F187 HydrophobicContact CE1-CG 3.57Å; F156-F187 AromaticContact CE2-CD2 3.68Å; F156-F187 HydrophobicContact CE2-CD2 3.68Å; F156-F187 AromaticContact CE2-CE2 3.87Å; F156-F187 HydrophobicContact CE2-CE2 3.87Å; F156-F187 HydrophobicContact CG-CB 4.38Å; F156-F187 HydrophobicContact CG-CD2 4.14Å; F156-F187 AromaticContact CZ-CD2 3.4Å; F156-F187 HydrophobicContact CZ-CD2 3.4Å; F156-F187 AromaticContact CZ-CE2 3.64Å; F156-F187 HydrophobicContact CZ-CE2 3.64Å; F156-F187 AromaticContact CZ-CG 3.92Å; F156-F187 HydrophobicContact CZ-CG 3.92Å; F156-F187 HydrophobicContact CZ-CZ 4.31Å; F156-I190 HydrophobicContact CB-CD1 4.01Å; F156-I190 HydrophobicContact CB-CG1 4.15Å; F156-I190 HydrophobicContact CD1-CD1 3.48Å; F156-I190 VanDerWaalsContact CD1-CD1 3.48Å; F156-I190 HydrophobicContact CD1-CG1 4.13Å; F156-I190 HydrophobicContact CE1-CD1 4.25Å; F156-I190 HydrophobicContact CG-CD1 4.02Å; F156-Y201 HydrophobicContact CB-CE2 3.89Å; F156-Y201 HydrophobicContact CD1-CE2 4.38Å; F156-Y201 AromaticContact CD2-CE2 3.96Å; F156-Y201 HydrophobicContact CD2-CE2 3.96Å; F156-Y201 AromaticContact CG-CE2 3.82Å; F156-Y201 HydrophobicContact CG-CE2 3.82Å
157	P	98.8	Very high	97.8	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	140.6	175.8	-23	33.8	0	0	0	111.7	V125 E165 I172 L186 F187 K189 I190	V125-P157 HydrophobicContact CG2-CB 4.31Å; V125-P157 HydrophobicContact CG2-CG 4.08Å; V125-P157 WeakPolarHBondContact O-CA 3.4Å; P157-E165 HydrophobicContact CB-CG 3.79Å; P157-I172 HydrophobicContact CB-CD1 3.99Å; P157-I172 HydrophobicContact CB-CG2 4.23Å; P157-I172 HydrophobicContact CG-CD1 4.5Å; P157-I172 HydrophobicContact CG-CG2 3.91Å; P157-L186 HydrophobicContact CG-CD1 3.86Å; P157-L186 HydrophobicContact CG-CG 4.2Å; P157-F187 WeakPolarHBondContact CD-O 3.28Å; P157-K189 HydrophobicContact CB-CB 4.2Å; P157-K189 HydrophobicContact CB-CG 4.25Å; P157-K189 VanDerWaalsContact O-CA 3.3Å; P157-K189 WeakPolarHBondContact O-CA 3.5Å; P157-I190 PolarHBondContact O-N 3.07Å
158	C	98.5	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.228	C	C	.	.			trans	-145.3	131.5	-179.9	-172.4	0	0	0	0	111.9	N124 V125 E165 I190 V192	N124-C158 HydrophobicContact CB-CB 4.41Å; V125-C158 PolarHBondContact O-N 3.43Å; C158-E165 VanDerWaalsContact O-CB 3.29Å; C158-E165 WeakPolarHBondContact O-CB 3.5Å; C158-I190 PolarHBondContact SG-O 3.38Å; C158-V192 HydrophobicContact CB-CG1 4.12Å; C158-V192 HydrophobicContact CB-CG2 4.45Å
159	N	98.4	Very high	97.9	Very high	48 Å²	48	37.3 Å²	37.3	26%	0.257	21%	0.208	S	C	.	.			trans	-102	9.3	-179	-154.8	33.4	0	0	0	114.3	F161 Q163 Q164 E165 K189	N159-F161 VanDerWaalsContact C-N 3.35Å; N159-Q163 WeakPolarHBondContact OD1-CA 3.3Å; N159-Q163 PolarHBondContact OD1-O 3.25Å; N159-Q164 PolarHBondContact OD1-N 3.31Å; N159-E165 HydrophobicContact CB-CB 4.29Å; N159-E165 VanDerWaalsContact CG-O 3.26Å; N159-E165 WeakPolarHBondContact OD1-CA 3.24Å; N159-E165 PolarHBondContact OD1-N 2.76Å; N159-E165 PolarHBondContact OD1-O 3.16Å; N159-K189 HydrophobicContact CB-CD 4.14Å
160	Q	98.4	Very high	98	Very high	83 Å²	83	40.4 Å²	40.4	39%	0.388	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-22.5	-174.9	-68.8	-179.2	-72.1	0	0	113.2	A191 V193	Q160-A191 VanDerWaalsContact OE1-CA 3.25Å; Q160-V193 PolarHBondContact NE2-O 2.91Å
161	F	97.9	Very high	98	Very high	17 Å²	17	43 Å²	43	8%	0.075	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	105.2	-175.4	-50.3	-69.9	0	0	0	110.4	N124 N159 Q163 Q164 V192 V193 P212 W214 N215	N124-F161 WeakPolarHBondContact ND2-CE2 3.44Å; N159-F161 VanDerWaalsContact C-N 3.35Å; F161-Q163 PolarHBondContact O-N 2.81Å; F161-Q163 VanDerWaalsContact O-N 3.08Å; F161-Q164 PolarHBondContact O-N 2.78Å; F161-V192 HydrophobicContact CE2-CG2 3.53Å; F161-V192 HydrophobicContact CZ-CG2 3.77Å; F161-V193 HydrophobicContact CE1-CG2 4.37Å; F161-V193 HydrophobicContact CZ-CG1 4.07Å; F161-V193 HydrophobicContact CZ-CG2 4.26Å; F161-P212 HydrophobicContact CZ-CB 4.07Å; F161-P212 WeakPolarHBondContact CZ-O 3.47Å; F161-W214 HydrophobicContact CB-CD2 4.27Å; F161-W214 HydrophobicContact CB-CE3 4.02Å; F161-W214 HydrophobicContact CB-CZ3 4.27Å; F161-W214 HydrophobicContact CD1-CE3 4.4Å; F161-N215 WeakPolarHBondContact CD2-OD1 3.29Å; F161-N215 PolarHBondContact O-ND2 2.91Å
162	G	96.1	Very high	98	Very high	56 Å²	56	43.1 Å²	43.1	58%	0.577	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	11.3	178.9	0	0	0	0	0	115.2	Q164	G162-Q164 PolarHBondContact O-N 3.48Å
163	Q	97.1	Very high	98	Very high	150 Å²	150	43 Å²	43	70%	0.701	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	36.6	-174.5	-57.8	-179.1	52.6	0	0	113.5	N159 F161 E165	N159-Q163 WeakPolarHBondContact OD1-CA 3.3Å; N159-Q163 PolarHBondContact OD1-O 3.25Å; F161-Q163 PolarHBondContact O-N 2.81Å; F161-Q163 VanDerWaalsContact O-N 3.08Å; Q163-E165 VanDerWaalsContact C-N 3.29Å; Q163-E165 PolarHBondContact O-N 2.9Å
164	Q	97.4	Very high	98	Very high	40 Å²	40	46.2 Å²	46.2	19%	0.187	26%	0.256	C	S	.	.			trans	-87	13.1	-173.4	-65.2	-176.8	-33.8	0	0	114.5	A126 S127 E128 C129 N159 F161 G162 P166 N215	A126-Q164 HydrophobicContact CB-CB 3.97Å; S127-Q164 PolarHBondContact N-O 2.74Å; S127-Q164 VanDerWaalsContact N-O 3.16Å; E128-Q164 HydrophobicContact CB-CB 4.2Å; E128-Q164 WeakPolarHBondContact CB-O 3.49Å; E128-Q164 PolarHBondContact N-O 2.89Å; E128-Q164 VanDerWaalsContact O-CD 3.32Å; E128-Q164 WeakPolarHBondContact O-CG 3.38Å; E128-Q164 PolarHBondContact O-NE2 3.43Å; C129-Q164 HydrophobicContact CB-CB 4.44Å; C129-Q164 PolarHBondContact SG-OE1 3.04Å; N159-Q164 PolarHBondContact OD1-N 3.31Å; F161-Q164 PolarHBondContact O-N 2.78Å; G162-Q164 PolarHBondContact O-N 3.48Å; Q164-P166 VanDerWaalsContact C-CD 3.48Å; Q164-N215 PolarHBondContact OE1-ND2 2.98Å
165	E	97.9	Very high	97.9	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.009	27%	0.27	C	S	.	.			trans	-137.3	57.5	174.7	-163.5	71.6	-75.5	0	0	109.9	A126 S127 P157 C158 N159 Q163 G167 I172 K189	A126-E165 VanDerWaalsContact C-OE2 3.31Å; A126-E165 WeakPolarHBondContact CA-OE2 3.22Å; A126-E165 HydrophobicContact CB-CB 4.42Å; A126-E165 PolarHBondContact N-OE2 3.41Å; S127-E165 WeakPolarHBondContact CB-OE1 3.48Å; S127-E165 VanDerWaalsContact N-CD 3.29Å; S127-E165 PolarHBondContact N-OE1 3.43Å; S127-E165 PolarHBondContact N-OE2 3.33Å; S127-E165 PolarHBondContact OG-OE1 2.78Å; P157-E165 HydrophobicContact CB-CG 3.79Å; C158-E165 VanDerWaalsContact O-CB 3.29Å; C158-E165 WeakPolarHBondContact O-CB 3.5Å; N159-E165 HydrophobicContact CB-CB 4.29Å; N159-E165 VanDerWaalsContact CG-O 3.26Å; N159-E165 WeakPolarHBondContact OD1-CA 3.24Å; N159-E165 PolarHBondContact OD1-N 2.76Å; N159-E165 PolarHBondContact OD1-O 3.16Å; Q163-E165 VanDerWaalsContact C-N 3.29Å; Q163-E165 PolarHBondContact O-N 2.9Å; E165-G167 VanDerWaalsContact C-N 3.35Å; E165-G167 PolarHBondContact O-N 3.35Å; E165-I172 HydrophobicContact CG-CD1 3.63Å; E165-I172 HydrophobicContact CG-CG1 4.26Å; E165-K189 HydrophobicContact CB-CD 4.44Å; E165-K189 HydrophobicContact CG-CD 4Å; E165-K189 WeakPolarHBondContact O-CD 3.39Å; E165-K189 PolarHBondContact O-NZ 3.25Å
166	P	97.6	Very high	97.8	Very high	68 Å²	68	49.4 Å²	49.4	44%	0.442	27%	0.271	S	S	.	.			trans	-71.2	-30.3	-171.5	28.9	-34.9	0	0	0	112.6	E128 Q164 K189	E128-P166 WeakPolarHBondContact OE1-CG 3.3Å; Q164-P166 VanDerWaalsContact C-CD 3.48Å; P166-K189 PolarHBondContact O-NZ 2.97Å; P166-K189 VanDerWaalsContact O-NZ 3.12Å
167	G	97.1	Very high	97.8	Very high	18 Å²	18	54.1 Å²	54.1	19%	0.186	29%	0.288	C	S	.	.	S	Bend	trans	-59.6	161.3	-175.5	0	0	0	0	0	115.1	E165 I172 K189	E165-G167 VanDerWaalsContact C-N 3.35Å; E165-G167 PolarHBondContact O-N 3.35Å; G167-I172 VanDerWaalsContact O-CD1 3.3Å; G167-I172 WeakPolarHBondContact O-CD1 3.2Å; G167-K189 PolarHBondContact O-NZ 3.41Å
168	S	98.1	Very high	97.7	Very high	56 Å²	56	59.4 Å²	59.4	39%	0.392	32%	0.32	S	S	.	.			trans	-71	160.9	170.7	64.3	0	0	0	0	111.8	K170 E171 I172	S168-K170 PolarHBondContact O-N 3.37Å; S168-E171 WeakPolarHBondContact CB-OE2 3.5Å; S168-E171 PolarHBondContact N-OE2 2.77Å; S168-E171 PolarHBondContact O-N 2.93Å; S168-E171 VanDerWaalsContact OG-CD 3.28Å; S168-E171 WeakPolarHBondContact OG-CG 3.49Å; S168-E171 PolarHBondContact OG-N 3.02Å; S168-E171 PolarHBondContact OG-OE2 3.35Å; S168-I172 VanDerWaalsContact O-CG1 3.28Å; S168-I172 WeakPolarHBondContact O-CG1 3.35Å; S168-I172 PolarHBondContact O-N 3.14Å
169	D	98.1	Very high	97.7	Very high	43 Å²	43	62.8 Å²	62.8	23%	0.23	34%	0.341	C	S	.	.	H	α-helix	trans	-51.5	-36.1	177.4	-72.2	-9	0	0	0	112.9	D173 S188 K189	D169-D173 VanDerWaalsContact O-CB 3.28Å; D169-D173 WeakPolarHBondContact O-CB 3.4Å; D169-D173 PolarHBondContact O-N 3.38Å; D169-S188 WeakPolarHBondContact OD2-CA 3.33Å; D169-S188 WeakPolarHBondContact OD2-CB 3.23Å; D169-S188 PolarHBondContact OD2-OG 2.98Å; D169-K189 WeakPolarHBondContact OD1-CB 3.35Å; D169-K189 PolarHBondContact OD1-N 2.84Å
170	K	97.5	Very high	97.7	Very high	171 Å²	171	61.8 Å²	61.8	74%	0.743	33%	0.334	S	S	*	.	H	α-helix	trans	-70.3	-42.8	178.5	-174.7	-177.7	177.2	-173.4	0	112.2	S168 S174	S168-K170 PolarHBondContact O-N 3.37Å; K170-S174 VanDerWaalsContact O-CB 3.3Å; K170-S174 WeakPolarHBondContact O-CB 3.42Å; K170-S174 PolarHBondContact O-N 2.77Å
171	E	98.1	Very high	97.6	Very high	119 Å²	119	60 Å²	60	56%	0.556	34%	0.338	S	S	*	.	H	α-helix	trans	-66.7	-43	178.1	-71.6	161.1	147.7	0	0	110.6	S168 S174 F175	S168-E171 WeakPolarHBondContact CB-OE2 3.5Å; S168-E171 PolarHBondContact N-OE2 2.77Å; S168-E171 PolarHBondContact O-N 2.93Å; S168-E171 VanDerWaalsContact OG-CD 3.28Å; S168-E171 WeakPolarHBondContact OG-CG 3.49Å; S168-E171 PolarHBondContact OG-N 3.02Å; S168-E171 PolarHBondContact OG-OE2 3.35Å; E171-S174 PolarHBondContact O-N 2.78Å; E171-F175 WeakPolarHBondContact O-CB 3.5Å; E171-F175 PolarHBondContact O-N 2.82Å
172	I	98.4	Very high	97.6	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.015	34%	0.337	C	S	.	.	H	α-helix	trans	-63.3	-49	177.3	-59.1	162.2	0	0	0	110.1	P157 E165 G167 S168 S174 F175 V176 L186 K189	P157-I172 HydrophobicContact CB-CD1 3.99Å; P157-I172 HydrophobicContact CB-CG2 4.23Å; P157-I172 HydrophobicContact CG-CD1 4.5Å; P157-I172 HydrophobicContact CG-CG2 3.91Å; E165-I172 HydrophobicContact CG-CD1 3.63Å; E165-I172 HydrophobicContact CG-CG1 4.26Å; G167-I172 VanDerWaalsContact O-CD1 3.3Å; G167-I172 WeakPolarHBondContact O-CD1 3.2Å; S168-I172 VanDerWaalsContact O-CG1 3.28Å; S168-I172 WeakPolarHBondContact O-CG1 3.35Å; S168-I172 PolarHBondContact O-N 3.14Å; I172-S174 VanDerWaalsContact C-N 3.32Å; I172-S174 PolarHBondContact O-N 2.89Å; I172-F175 PolarHBondContact O-N 3.11Å; I172-V176 HydrophobicContact CG2-CG2 4.16Å; I172-V176 WeakPolarHBondContact O-CB 3.34Å; I172-V176 VanDerWaalsContact O-CG2 3.25Å; I172-V176 WeakPolarHBondContact O-CG2 3.45Å; I172-V176 PolarHBondContact O-N 3.29Å; I172-L186 HydrophobicContact CG2-CD2 4.13Å; I172-K189 HydrophobicContact CD1-CD 4.07Å
173	D	97.8	Very high	97.7	Very high	29 Å²	29	60.3 Å²	60.3	16%	0.155	33%	0.334	C	S	.	.	H	α-helix	trans	-59.2	-43.5	177.8	-171.1	89.5	0	0	0	111.6	S105 D169 R177 L186	S105-D173 PolarHBondContact OG-OD1 3.17Å; D169-D173 VanDerWaalsContact O-CB 3.28Å; D169-D173 WeakPolarHBondContact O-CB 3.4Å; D169-D173 PolarHBondContact O-N 3.38Å; D173-R177 VanDerWaalsContact CG-NE 3.26Å; D173-R177 WeakPolarHBondContact O-CB 3.38Å; D173-R177 VanDerWaalsContact O-CG 3.24Å; D173-R177 WeakPolarHBondContact O-CG 3.43Å; D173-R177 PolarHBondContact O-N 3.27Å; D173-R177 IonicContact OD1-CZ 3.81Å; D173-R177 IonicContact OD1-NE 2.81Å; D173-R177 PolarHBondContact OD1-NE 2.78Å; D173-R177 VanDerWaalsContact OD1-NE 3.12Å; D173-R177 IonicContact OD1-NH2 3.14Å; D173-R177 PolarHBondContact OD1-NH2 3.33Å; D173-R177 WeakPolarHBondContact OD2-CD 3.33Å; D173-R177 IonicContact OD2-CZ 3.62Å; D173-R177 IonicContact OD2-NE 3.41Å; D173-R177 PolarHBondContact OD2-NE 2.85Å; D173-R177 IonicContact OD2-NH2 2.85Å; D173-L186 HydrophobicContact CB-CD2 3.88Å
174	S	97.8	Very high	97.7	Very high	66 Å²	66	53.3 Å²	53.3	46%	0.462	30%	0.301	S	S	.	.	H	α-helix	trans	-62.5	-46.4	176.4	-171	0	0	0	0	112.2	K170 E171 I172 T178	K170-S174 VanDerWaalsContact O-CB 3.3Å; K170-S174 WeakPolarHBondContact O-CB 3.42Å; K170-S174 PolarHBondContact O-N 2.77Å; E171-S174 PolarHBondContact O-N 2.78Å; I172-S174 VanDerWaalsContact C-N 3.32Å; I172-S174 PolarHBondContact O-N 2.89Å; S174-T178 WeakPolarHBondContact O-CB 3.25Å; S174-T178 PolarHBondContact O-N 3.14Å; S174-T178 PolarHBondContact O-OG1 3.35Å
175	F	97.8	Very high	97.7	Very high	66 Å²	66	52.9 Å²	52.9	29%	0.289	30%	0.302	S	S	.	.	H	α-helix	trans	-59.3	-54.5	178.5	169.1	-104	0	0	0	110.9	S127 T132 E171 I172 R177 T178 V179 Y180	S127-F175 VanDerWaalsContact CB-CE1 3.47Å; S127-F175 VanDerWaalsContact OG-CD1 3.3Å; S127-F175 WeakPolarHBondContact OG-CD1 3.26Å; T132-F175 HydrophobicContact CG2-CE1 4.26Å; T132-F175 HydrophobicContact CG2-CZ 4.45Å; E171-F175 WeakPolarHBondContact O-CB 3.5Å; E171-F175 PolarHBondContact O-N 2.82Å; I172-F175 PolarHBondContact O-N 3.11Å; F175-R177 VanDerWaalsContact C-N 3.32Å; F175-R177 PolarHBondContact O-N 2.99Å; F175-T178 PolarHBondContact O-N 2.99Å; F175-V179 HydrophobicContact CD2-CB 4.5Å; F175-V179 HydrophobicContact CD2-CG2 3.68Å; F175-V179 HydrophobicContact CE2-CB 4.35Å; F175-V179 HydrophobicContact CE2-CG2 3.73Å; F175-V179 HydrophobicContact CG-CG2 4.46Å; F175-V179 WeakPolarHBondContact O-CB 3.22Å; F175-V179 WeakPolarHBondContact O-CG2 3.4Å; F175-V179 PolarHBondContact O-N 3.33Å; F175-Y180 AromaticContact CE1-CE2 3.7Å; F175-Y180 HydrophobicContact CE1-CE2 3.7Å; F175-Y180 AromaticContact CZ-CE2 3.83Å; F175-Y180 HydrophobicContact CZ-CE2 3.83Å
176	V	97.4	Very high	97.8	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-40	-174.8	172.5	0	0	0	0	111.5	Y136 I172 Y180 A182 F184	Y136-V176 HydrophobicContact CD1-CG1 3.86Å; Y136-V176 HydrophobicContact CE1-CB 4.22Å; Y136-V176 HydrophobicContact CE1-CG1 3.41Å; Y136-V176 VanDerWaalsContact CE1-CG1 3.41Å; Y136-V176 HydrophobicContact CE1-CG2 3.7Å; Y136-V176 HydrophobicContact CE2-CG2 4.22Å; Y136-V176 VanDerWaalsContact CZ-CG2 3.47Å; Y136-V176 WeakPolarHBondContact OH-CG2 3.32Å; I172-V176 HydrophobicContact CG2-CG2 4.16Å; I172-V176 WeakPolarHBondContact O-CB 3.34Å; I172-V176 VanDerWaalsContact O-CG2 3.25Å; I172-V176 WeakPolarHBondContact O-CG2 3.45Å; I172-V176 PolarHBondContact O-N 3.29Å; V176-Y180 WeakPolarHBondContact O-CB 3.3Å; V176-Y180 PolarHBondContact O-N 3.18Å; V176-A182 HydrophobicContact CG1-CB 3.36Å; V176-F184 HydrophobicContact CG1-CZ 4.5Å
177	R	97.6	Very high	97.8	Very high	99 Å²	99	50.1 Å²	50.1	37%	0.374	28%	0.283	S	S	.	.	H	α-helix	trans	-72.3	-42.1	176.6	-69.1	-177.5	-167	-62.9	-13.2	113.1	D173 F175 G181 A182	D173-R177 VanDerWaalsContact CG-NE 3.26Å; D173-R177 WeakPolarHBondContact O-CB 3.38Å; D173-R177 VanDerWaalsContact O-CG 3.24Å; D173-R177 WeakPolarHBondContact O-CG 3.43Å; D173-R177 PolarHBondContact O-N 3.27Å; D173-R177 IonicContact OD1-CZ 3.81Å; D173-R177 IonicContact OD1-NE 2.81Å; D173-R177 PolarHBondContact OD1-NE 2.78Å; D173-R177 VanDerWaalsContact OD1-NE 3.12Å; D173-R177 IonicContact OD1-NH2 3.14Å; D173-R177 PolarHBondContact OD1-NH2 3.33Å; D173-R177 WeakPolarHBondContact OD2-CD 3.33Å; D173-R177 IonicContact OD2-CZ 3.62Å; D173-R177 IonicContact OD2-NE 3.41Å; D173-R177 PolarHBondContact OD2-NE 2.85Å; D173-R177 IonicContact OD2-NH2 2.85Å; F175-R177 VanDerWaalsContact C-N 3.32Å; F175-R177 PolarHBondContact O-N 2.99Å; R177-G181 WeakPolarHBondContact O-CA 3.32Å; R177-G181 PolarHBondContact O-N 3.47Å; R177-A182 PolarHBondContact NH1-O 2.81Å; R177-A182 VanDerWaalsContact NH1-O 3.11Å
178	T	97.8	Very high	97.9	Very high	111 Å²	111	49.9 Å²	49.9	68%	0.681	28%	0.278	S	S	*	.	H	α-helix	trans	-74	-41.7	-175.2	-55.6	0	0	0	0	111.6	S174 F175	S174-T178 WeakPolarHBondContact O-CB 3.25Å; S174-T178 PolarHBondContact O-N 3.14Å; S174-T178 PolarHBondContact O-OG1 3.35Å; F175-T178 PolarHBondContact O-N 2.99Å
179	V	97.8	Very high	97.9	Very high	71 Å²	71	50.3 Å²	50.3	43%	0.43	27%	0.273	S	S	.	.	H	α-helix	trans	-82.6	-40.6	-174.3	-180	0	0	0	0	111.7	F175	F175-V179 HydrophobicContact CD2-CB 4.5Å; F175-V179 HydrophobicContact CD2-CG2 3.68Å; F175-V179 HydrophobicContact CE2-CB 4.35Å; F175-V179 HydrophobicContact CE2-CG2 3.73Å; F175-V179 HydrophobicContact CG-CG2 4.46Å; F175-V179 WeakPolarHBondContact O-CB 3.22Å; F175-V179 WeakPolarHBondContact O-CG2 3.4Å; F175-V179 PolarHBondContact O-N 3.33Å
180	Y	97.8	Very high	97.9	Very high	27 Å²	27	49.7 Å²	49.7	11%	0.106	27%	0.27	C	S	.	.	H	α-helix	trans	-111.9	-5	-172.6	-54.7	-72.6	0	0	0	114.2	T132 D133 Y136 R137 F175 V176 A182	T132-Y180 HydrophobicContact CG2-CE2 4.28Å; T132-Y180 WeakPolarHBondContact CG2-OH 3.16Å; D133-Y180 HydrophobicContact CB-CE1 4.47Å; D133-Y180 WeakPolarHBondContact OD1-CE1 3.42Å; Y136-Y180 HydrophobicContact CD1-CD2 4.28Å; Y136-Y180 HydrophobicContact CD2-CD2 4.12Å; Y136-Y180 AromaticContact CD2-CE2 3.83Å; Y136-Y180 HydrophobicContact CD2-CE2 3.83Å; Y136-Y180 AromaticContact CG-CD2 3.78Å; Y136-Y180 HydrophobicContact CG-CD2 3.78Å; Y136-Y180 AromaticContact CG-CE2 3.95Å; Y136-Y180 HydrophobicContact CG-CE2 3.95Å; Y136-Y180 HydrophobicContact CG-CG 4.18Å; R137-Y180 HydrophobicContact CG-CD1 4.21Å; F175-Y180 AromaticContact CE1-CE2 3.7Å; F175-Y180 HydrophobicContact CE1-CE2 3.7Å; F175-Y180 AromaticContact CZ-CE2 3.83Å; F175-Y180 HydrophobicContact CZ-CE2 3.83Å; V176-Y180 WeakPolarHBondContact O-CB 3.3Å; V176-Y180 PolarHBondContact O-N 3.18Å; Y180-A182 PolarHBondContact O-N 3.49Å
181	G	97.7	Very high	98	Very high	46 Å²	46	43 Å²	43	47%	0.474	25%	0.246	S	C	.	.			trans	64.8	31.5	-176.4	0	0	0	0	0	112.5	Q140 R177 S183	Q140-G181 PolarHBondContact NE2-O 3.09Å; R177-G181 WeakPolarHBondContact O-CA 3.32Å; R177-G181 PolarHBondContact O-N 3.47Å; G181-S183 PolarHBondContact O-N 3.44Å
182	A	97.1	Very high	98	Very high	7 Å²	7	37.4 Å²	37.4	6%	0.058	22%	0.22	C	C	.	.			trans	-59.1	120.9	-173.3	0	0	0	0	0	112.4	Q140 V176 R177 Y180 F184	Q140-A182 VanDerWaalsContact OE1-CA 3.26Å; V176-A182 HydrophobicContact CG1-CB 3.36Å; R177-A182 PolarHBondContact NH1-O 2.81Å; R177-A182 VanDerWaalsContact NH1-O 3.11Å; Y180-A182 PolarHBondContact O-N 3.49Å; A182-F184 HydrophobicContact CB-CD1 4.46Å; A182-F184 HydrophobicContact CB-CE1 3.97Å; A182-F184 HydrophobicContact CB-CE2 4.24Å; A182-F184 HydrophobicContact CB-CZ 3.85Å
183	S	97.6	Very high	97.9	Very high	72 Å²	72	38.5 Å²	38.5	50%	0.503	23%	0.227	S	C	.	.			trans	-108.2	0.1	179	67.9	0	0	0	0	113.1	Q140 G181	Q140-S183 PolarHBondContact NE2-OG 2.92Å; Q140-S183 PolarHBondContact OE1-OG 3.26Å; G181-S183 PolarHBondContact O-N 3.44Å
184	F	98.2	Very high	97.8	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.018	24%	0.243	C	C	.	.	S	Bend	trans	-87.6	161.2	177	49.2	-101	0	0	0	112.9	Y136 L139 Q140 Q143 V153 A155 V176 A182 L186	Y136-F184 AromaticContact CD1-CZ 3.95Å; Y136-F184 HydrophobicContact CD1-CZ 3.95Å; Y136-F184 HydrophobicContact CE1-CE2 4.46Å; Y136-F184 HydrophobicContact CE1-CZ 4.13Å; L139-F184 HydrophobicContact CB-CE1 3.94Å; L139-F184 HydrophobicContact CB-CZ 4.2Å; Q140-F184 HydrophobicContact CB-CE1 4.16Å; Q140-F184 VanDerWaalsContact OE1-CD1 3.31Å; Q143-F184 HydrophobicContact CB-CB 4.32Å; Q143-F184 HydrophobicContact CB-CD1 4Å; Q143-F184 HydrophobicContact CG-CB 3.81Å; Q143-F184 HydrophobicContact CG-CD1 4.27Å; V153-F184 HydrophobicContact CB-CB 3.73Å; V153-F184 HydrophobicContact CB-CD1 4.11Å; V153-F184 HydrophobicContact CB-CD2 4.26Å; V153-F184 HydrophobicContact CB-CG 3.79Å; V153-F184 HydrophobicContact CG1-CB 4.32Å; V153-F184 HydrophobicContact CG1-CD1 4.25Å; V153-F184 HydrophobicContact CG1-CD2 3.9Å; V153-F184 HydrophobicContact CG1-CE2 4.23Å; V153-F184 HydrophobicContact CG1-CG 3.91Å; A155-F184 HydrophobicContact CB-CD2 4.01Å; A155-F184 HydrophobicContact CB-CE2 3.7Å; V176-F184 HydrophobicContact CG1-CZ 4.5Å; A182-F184 HydrophobicContact CB-CD1 4.46Å; A182-F184 HydrophobicContact CB-CE1 3.97Å; A182-F184 HydrophobicContact CB-CE2 4.24Å; A182-F184 HydrophobicContact CB-CZ 3.85Å; F184-L186 PolarHBondContact O-N 2.97Å
185	P	97.9	Very high	97.6	Very high	31 Å²	31	43 Å²	43	20%	0.201	26%	0.262	C	S	.	.			trans	-56.9	126.2	170.6	-25.9	32	0	0	0	114.1	Y115 V153 L154 A155 F187	Y115-P185 HydrophobicContact CE1-CG 3.75Å; Y115-P185 WeakPolarHBondContact OH-CB 3.46Å; Y115-P185 WeakPolarHBondContact OH-CG 3.36Å; V153-P185 VanDerWaalsContact O-CD 3.31Å; V153-P185 WeakPolarHBondContact O-CD 3.42Å; L154-P185 HydrophobicContact CD2-CB 4.14Å; L154-P185 HydrophobicContact CD2-CG 4.08Å; A155-P185 PolarHBondContact N-O 2.83Å; A155-P185 VanDerWaalsContact N-O 3.13Å; P185-F187 HydrophobicContact CB-CE2 4.2Å; P185-F187 HydrophobicContact CB-CZ 4.18Å
186	L	98.4	Very high	97.5	Very high	8 Å²	8	42.7 Å²	42.7	4%	0.042	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-111.5	132.3	168.6	-167.7	71.1	0	0	0	109.4	S105 V125 A155 P157 I172 D173 F184	S105-L186 PolarHBondContact N-O 2.91Å; S105-L186 PolarHBondContact OG-O 2.85Å; V125-L186 HydrophobicContact CG2-CD1 4.33Å; A155-L186 HydrophobicContact CB-CD1 3.65Å; P157-L186 HydrophobicContact CG-CD1 3.86Å; P157-L186 HydrophobicContact CG-CG 4.2Å; I172-L186 HydrophobicContact CG2-CD2 4.13Å; D173-L186 HydrophobicContact CB-CD2 3.88Å; F184-L186 PolarHBondContact O-N 2.97Å
187	F	98.7	Very high	97.5	Very high	3 Å²	3	42.8 Å²	42.8	1%	0.013	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-99.4	170.3	179.9	-61.9	-78	0	0	0	112.4	V102 V103 N104 V110 L112 Y115 L154 A155 F156 P157 P185	V102-F187 HydrophobicContact CB-CD1 4.28Å; V102-F187 HydrophobicContact CG2-CD1 3.31Å; V102-F187 HydrophobicContact CG2-CE1 3.3Å; V102-F187 HydrophobicContact CG2-CG 4.13Å; V102-F187 HydrophobicContact CG2-CZ 4.12Å; V103-F187 WeakPolarHBondContact O-CB 3.3Å; N104-F187 HydrophobicContact CB-CD1 4.36Å; V110-F187 HydrophobicContact CG2-CD1 4.22Å; V110-F187 HydrophobicContact CG2-CE1 3.75Å; L112-F187 HydrophobicContact CD2-CE1 4.09Å; L112-F187 HydrophobicContact CD2-CZ 3.8Å; Y115-F187 AromaticContact CE2-CZ 3.91Å; Y115-F187 HydrophobicContact CE2-CZ 3.91Å; L154-F187 HydrophobicContact CB-CE2 3.87Å; L154-F187 HydrophobicContact CD2-CE2 4.01Å; L154-F187 HydrophobicContact CD2-CZ 4.11Å; L154-F187 HydrophobicContact CG-CE2 4.43Å; A155-F187 WeakPolarHBondContact O-CD2 3.21Å; A155-F187 PolarHBondContact O-N 3.26Å; F156-F187 HydrophobicContact CD1-CB 3.64Å; F156-F187 AromaticContact CD1-CD2 3.87Å; F156-F187 HydrophobicContact CD1-CD2 3.87Å; F156-F187 AromaticContact CD1-CG 3.96Å; F156-F187 HydrophobicContact CD1-CG 3.96Å; F156-F187 HydrophobicContact CD2-CD2 4.05Å; F156-F187 HydrophobicContact CE1-CB 3.72Å; F156-F187 HydrophobicContact CE1-CD1 4.31Å; F156-F187 AromaticContact CE1-CD2 3.49Å; F156-F187 HydrophobicContact CE1-CD2 3.49Å; F156-F187 VanDerWaalsContact CE1-CD2 3.49Å; F156-F187 HydrophobicContact CE1-CE2 4.17Å; F156-F187 AromaticContact CE1-CG 3.57Å; F156-F187 HydrophobicContact CE1-CG 3.57Å; F156-F187 AromaticContact CE2-CD2 3.68Å; F156-F187 HydrophobicContact CE2-CD2 3.68Å; F156-F187 AromaticContact CE2-CE2 3.87Å; F156-F187 HydrophobicContact CE2-CE2 3.87Å; F156-F187 HydrophobicContact CG-CB 4.38Å; F156-F187 HydrophobicContact CG-CD2 4.14Å; F156-F187 AromaticContact CZ-CD2 3.4Å; F156-F187 HydrophobicContact CZ-CD2 3.4Å; F156-F187 AromaticContact CZ-CE2 3.64Å; F156-F187 HydrophobicContact CZ-CE2 3.64Å; F156-F187 AromaticContact CZ-CG 3.92Å; F156-F187 HydrophobicContact CZ-CG 3.92Å; F156-F187 HydrophobicContact CZ-CZ 4.31Å; P157-F187 WeakPolarHBondContact CD-O 3.28Å; P185-F187 HydrophobicContact CB-CE2 4.2Å; P185-F187 HydrophobicContact CB-CZ 4.18Å
188	S	98.6	Very high	97.5	Very high	13 Å²	13	40.4 Å²	40.4	9%	0.091	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-61.5	151.5	169.9	-77.4	0	0	0	0	110.6	V103 N104 D169 I190	V103-S188 WeakPolarHBondContact CG1-OG 3.46Å; V103-S188 PolarHBondContact O-N 2.92Å; N104-S188 PolarHBondContact O-OG 3.13Å; D169-S188 WeakPolarHBondContact OD2-CA 3.33Å; D169-S188 WeakPolarHBondContact OD2-CB 3.23Å; D169-S188 PolarHBondContact OD2-OG 2.98Å; S188-I190 PolarHBondContact O-N 2.84Å
189	K	98.6	Very high	97.5	Very high	65 Å²	65	40.1 Å²	40.1	28%	0.283	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-59.4	130.5	174.1	-169.3	160.3	73.9	-177.2	0	110.7	P157 N159 E165 P166 G167 D169 I172	P157-K189 HydrophobicContact CB-CB 4.2Å; P157-K189 HydrophobicContact CB-CG 4.25Å; P157-K189 VanDerWaalsContact O-CA 3.3Å; P157-K189 WeakPolarHBondContact O-CA 3.5Å; N159-K189 HydrophobicContact CB-CD 4.14Å; E165-K189 HydrophobicContact CB-CD 4.44Å; E165-K189 HydrophobicContact CG-CD 4Å; E165-K189 WeakPolarHBondContact O-CD 3.39Å; E165-K189 PolarHBondContact O-NZ 3.25Å; P166-K189 PolarHBondContact O-NZ 2.97Å; P166-K189 VanDerWaalsContact O-NZ 3.12Å; G167-K189 PolarHBondContact O-NZ 3.41Å; D169-K189 WeakPolarHBondContact OD1-CB 3.35Å; D169-K189 PolarHBondContact OD1-N 2.84Å; I172-K189 HydrophobicContact CD1-CD 4.07Å
190	I	98.4	Very high	97.5	Very high	30 Å²	30	36.7 Å²	36.7	15%	0.154	25%	0.247	C	C	.	.			trans	-134.8	159.5	-177.7	56.8	164.3	0	0	0	112.1	F156 P157 C158 S188 V192 N198 Y201	F156-I190 HydrophobicContact CB-CD1 4.01Å; F156-I190 HydrophobicContact CB-CG1 4.15Å; F156-I190 HydrophobicContact CD1-CD1 3.48Å; F156-I190 VanDerWaalsContact CD1-CD1 3.48Å; F156-I190 HydrophobicContact CD1-CG1 4.13Å; F156-I190 HydrophobicContact CE1-CD1 4.25Å; F156-I190 HydrophobicContact CG-CD1 4.02Å; P157-I190 PolarHBondContact O-N 3.07Å; C158-I190 PolarHBondContact SG-O 3.38Å; S188-I190 PolarHBondContact O-N 2.84Å; I190-V192 HydrophobicContact CD1-CG1 4.22Å; I190-V192 HydrophobicContact CG1-CG1 4.19Å; I190-N198 HydrophobicContact CB-CB 4.19Å; I190-N198 HydrophobicContact CD1-CB 3.8Å; I190-N198 HydrophobicContact CG2-CB 4.4Å; I190-Y201 HydrophobicContact CD1-CD2 3.63Å; I190-Y201 HydrophobicContact CD1-CE2 3.8Å
191	A	98.3	Very high	97.5	Very high	31 Å²	31	35.4 Å²	35.4	26%	0.256	24%	0.242	S	C	.	.			trans	-78.9	136.3	160.8	0	0	0	0	0	109.7	Q160 A197 N198	Q160-A191 VanDerWaalsContact OE1-CA 3.25Å; A191-A197 WeakPolarHBondContact O-CA 3.34Å; A191-N198 PolarHBondContact O-N 3.01Å
192	V	98.3	Very high	97.5	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	24%	0.237	C	C	.	.			trans	-112.3	-16.8	-179.9	-56.1	0	0	0	0	113.1	N124 C158 F161 I190 Y201 P212	N124-V192 HydrophobicContact CB-CG1 4.1Å; C158-V192 HydrophobicContact CB-CG1 4.12Å; C158-V192 HydrophobicContact CB-CG2 4.45Å; F161-V192 HydrophobicContact CE2-CG2 3.53Å; F161-V192 HydrophobicContact CZ-CG2 3.77Å; I190-V192 HydrophobicContact CD1-CG1 4.22Å; I190-V192 HydrophobicContact CG1-CG1 4.19Å; V192-Y201 HydrophobicContact CB-CD1 3.51Å; V192-Y201 HydrophobicContact CB-CD2 4.19Å; V192-Y201 HydrophobicContact CB-CE1 3.89Å; V192-Y201 HydrophobicContact CB-CG 3.65Å; V192-Y201 HydrophobicContact CG1-CD1 3.78Å; V192-Y201 HydrophobicContact CG1-CD2 3.71Å; V192-Y201 HydrophobicContact CG1-CE1 3.79Å; V192-Y201 HydrophobicContact CG1-CE2 3.74Å; V192-Y201 HydrophobicContact CG1-CG 3.71Å; V192-Y201 WeakPolarHBondContact O-CB 3.42Å; V192-P212 HydrophobicContact CG2-CB 4.24Å; V192-P212 HydrophobicContact CG2-CG 4.38Å
193	V	97.7	Very high	97.5	Very high	27 Å²	27	37.9 Å²	37.9	16%	0.164	24%	0.238	C	C	.	.	S	Bend	trans	-128.1	158.8	175.9	-63	0	0	0	0	113.3	Q160 F161 E211 P212	Q160-V193 PolarHBondContact NE2-O 2.91Å; F161-V193 HydrophobicContact CE1-CG2 4.37Å; F161-V193 HydrophobicContact CZ-CG1 4.07Å; F161-V193 HydrophobicContact CZ-CG2 4.26Å; V193-E211 HydrophobicContact CB-CG 4.4Å; V193-E211 HydrophobicContact CG1-CG 3.56Å; V193-P212 HydrophobicContact CG1-CB 4.36Å; V193-P212 WeakPolarHBondContact CG1-O 3.25Å
194	G	95.3	Very high	97.5	Very high	47 Å²	47	34.5 Å²	34.5	49%	0.485	21%	0.214	S	C	.	.	S	Bend	trans	79.2	-174.8	176	0	0	0	0	0	114.8	G196 A197	G194-G196 PolarHBondContact O-N 2.78Å; G194-A197 WeakPolarHBondContact O-CB 3.49Å; G194-A197 PolarHBondContact O-N 3.38Å
195	T	93.6	Very high	97.5	Very high	141 Å²	141	35.1 Å²	35.1	87%	0.865	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-32.7	-174.1	55.4	0	0	0	0	113.1	A197 K202	T195-A197 VanDerWaalsContact C-N 3.34Å; T195-K202 WeakPolarHBondContact O-CE 3.48Å; T195-K202 PolarHBondContact O-NZ 3.19Å
196	G	94.7	Very high	97.4	Very high	60 Å²	60	41 Å²	41	62%	0.619	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-0.1	176	0	0	0	0	0	115.3	G194	G194-G196 PolarHBondContact O-N 2.78Å
197	A	97.3	Very high	97.3	Very high	5 Å²	5	44 Å²	44	4%	0.041	26%	0.264	C	S	.	.			trans	-58.3	143.6	-179.9	0	0	0	0	0	112	A191 G194 T195 K202	A191-A197 WeakPolarHBondContact O-CA 3.34Å; G194-A197 WeakPolarHBondContact O-CB 3.49Å; G194-A197 PolarHBondContact O-N 3.38Å; T195-A197 VanDerWaalsContact C-N 3.34Å; A197-K202 HydrophobicContact CB-CD 4.47Å; A197-K202 HydrophobicContact CB-CG 3.84Å; A197-K202 WeakPolarHBondContact O-CD 3.35Å; A197-K202 WeakPolarHBondContact O-CE 3.21Å; A197-K202 PolarHBondContact O-NZ 3.42Å
198	N	98	Very high	97.2	Very high	48 Å²	48	45.3 Å²	45.3	26%	0.257	27%	0.274	S	S	.	.			trans	-60.7	143	173.6	-171.2	-76.1	0	0	0	110.2	I190 A191 V200 Y201 K202	I190-N198 HydrophobicContact CB-CB 4.19Å; I190-N198 HydrophobicContact CD1-CB 3.8Å; I190-N198 HydrophobicContact CG2-CB 4.4Å; A191-N198 PolarHBondContact O-N 3.01Å; N198-V200 PolarHBondContact O-N 3.38Å; N198-V200 VanDerWaalsContact O-N 3.08Å; N198-V200 WeakPolarHBondContact OD1-CB 3.38Å; N198-V200 PolarHBondContact OD1-N 2.99Å; N198-Y201 PolarHBondContact O-N 2.93Å; N198-K202 PolarHBondContact O-N 2.95Å
199	N	97.3	Very high	97	Very high	105 Å²	105	48.1 Å²	48.1	56%	0.561	31%	0.305	S	S	*	.	H	α-helix	trans	-56.3	-29	-177.6	-69	-17.6	0	0	0	113.6	F100 Y203	F100-N199 HydrophobicContact CD1-CB 4.26Å; F100-N199 HydrophobicContact CE1-CB 3.97Å; N199-Y203 WeakPolarHBondContact O-CB 3.47Å; N199-Y203 PolarHBondContact O-N 2.88Å
200	V	97.7	Very high	96.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.1	-48.3	174	172	0	0	0	0	111.3	F97 F100 V102 L112 N198 Y203 L204	F97-V200 HydrophobicContact CD2-CG1 4.07Å; F97-V200 HydrophobicContact CE2-CG1 3.41Å; F97-V200 VanDerWaalsContact CE2-CG1 3.41Å; F97-V200 HydrophobicContact CZ-CG1 4.25Å; F100-V200 HydrophobicContact CB-CG2 3.42Å; F100-V200 VanDerWaalsContact CB-CG2 3.42Å; F100-V200 HydrophobicContact CD1-CG2 4Å; F100-V200 HydrophobicContact CD2-CG2 4.2Å; F100-V200 HydrophobicContact CG-CG2 3.63Å; V102-V200 HydrophobicContact CG1-CG2 3.57Å; L112-V200 HydrophobicContact CD1-CG2 4.15Å; N198-V200 PolarHBondContact O-N 3.38Å; N198-V200 VanDerWaalsContact O-N 3.08Å; N198-V200 WeakPolarHBondContact OD1-CB 3.38Å; N198-V200 PolarHBondContact OD1-N 2.99Å; V200-Y203 WeakPolarHBondContact O-CB 3.3Å; V200-Y203 PolarHBondContact O-N 2.96Å; V200-L204 HydrophobicContact CG1-CD1 4.21Å; V200-L204 WeakPolarHBondContact O-CG 3.38Å; V200-L204 PolarHBondContact O-N 2.72Å
201	Y	98.3	Very high	96.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-75.1	-32.2	-179.1	-90.9	-93.6	0	0	0	112.9	V122 V123 N124 F156 I190 V192 N198 Y203 L204 A205 P212 F219	V122-Y201 HydrophobicContact CG1-CE2 4.47Å; V123-Y201 VanDerWaalsContact C-OH 3.23Å; N124-Y201 WeakPolarHBondContact CA-OH 3.41Å; N124-Y201 HydrophobicContact CB-CE1 4.24Å; N124-Y201 WeakPolarHBondContact CB-OH 3.44Å; N124-Y201 PolarHBondContact N-OH 2.93Å; F156-Y201 HydrophobicContact CB-CE2 3.89Å; F156-Y201 HydrophobicContact CD1-CE2 4.38Å; F156-Y201 AromaticContact CD2-CE2 3.96Å; F156-Y201 HydrophobicContact CD2-CE2 3.96Å; F156-Y201 AromaticContact CG-CE2 3.82Å; F156-Y201 HydrophobicContact CG-CE2 3.82Å; I190-Y201 HydrophobicContact CD1-CD2 3.63Å; I190-Y201 HydrophobicContact CD1-CE2 3.8Å; V192-Y201 HydrophobicContact CB-CD1 3.51Å; V192-Y201 HydrophobicContact CB-CD2 4.19Å; V192-Y201 HydrophobicContact CB-CE1 3.89Å; V192-Y201 HydrophobicContact CB-CG 3.65Å; V192-Y201 HydrophobicContact CG1-CD1 3.78Å; V192-Y201 HydrophobicContact CG1-CD2 3.71Å; V192-Y201 HydrophobicContact CG1-CE1 3.79Å; V192-Y201 HydrophobicContact CG1-CE2 3.74Å; V192-Y201 HydrophobicContact CG1-CG 3.71Å; V192-Y201 WeakPolarHBondContact O-CB 3.42Å; N198-Y201 PolarHBondContact O-N 2.93Å; Y201-Y203 VanDerWaalsContact C-N 3.29Å; Y201-Y203 PolarHBondContact O-N 2.92Å; Y201-L204 HydrophobicContact CD1-CD1 4.26Å; Y201-L204 HydrophobicContact CE1-CD1 4.37Å; Y201-L204 HydrophobicContact CG-CD1 4.38Å; Y201-L204 PolarHBondContact O-N 2.94Å; Y201-A205 WeakPolarHBondContact O-CB 3.4Å; Y201-A205 PolarHBondContact O-N 3.21Å; Y201-P212 HydrophobicContact CD1-CG 3.94Å; Y201-P212 HydrophobicContact CE1-CG 4.02Å; Y201-F219 HydrophobicContact CD1-CE2 4.38Å; Y201-F219 HydrophobicContact CE1-CE2 4.14Å
202	K	97.6	Very high	96.8	Very high	83 Å²	83	51.3 Å²	51.3	36%	0.361	31%	0.314	S	S	.	.	H	α-helix	trans	-56.4	-47.1	168.7	-72.4	176.9	170.4	159.9	0	111.1	T195 A197 N198 A205 E206	T195-K202 WeakPolarHBondContact O-CE 3.48Å; T195-K202 PolarHBondContact O-NZ 3.19Å; A197-K202 HydrophobicContact CB-CD 4.47Å; A197-K202 HydrophobicContact CB-CG 3.84Å; A197-K202 WeakPolarHBondContact O-CD 3.35Å; A197-K202 WeakPolarHBondContact O-CE 3.21Å; A197-K202 PolarHBondContact O-NZ 3.42Å; N198-K202 PolarHBondContact O-N 2.95Å; K202-A205 PolarHBondContact O-N 3.42Å; K202-E206 VanDerWaalsContact O-CB 3.3Å; K202-E206 WeakPolarHBondContact O-CB 3.2Å; K202-E206 PolarHBondContact O-N 3.45Å
203	Y	97.6	Very high	96.8	Very high	22 Å²	22	56.4 Å²	56.4	9%	0.086	34%	0.341	C	S	.	.	H	α-helix	trans	-61.8	-47.4	176	169.4	-95.2	0	0	0	112.3	K95 D96 F97 F100 N199 V200 Y201 A205 E206 V207 V227	K95-Y203 WeakPolarHBondContact O-CE2 3.47Å; K95-Y203 PolarHBondContact O-OH 2.89Å; D96-Y203 WeakPolarHBondContact CA-OH 3.38Å; F97-Y203 HydrophobicContact CB-CE1 3.98Å; F100-Y203 AromaticContact CE2-CD1 3.72Å; F100-Y203 HydrophobicContact CE2-CD1 3.72Å; F100-Y203 HydrophobicContact CE2-CD2 4.01Å; F100-Y203 HydrophobicContact CE2-CE1 4.36Å; F100-Y203 AromaticContact CE2-CG 3.52Å; F100-Y203 HydrophobicContact CE2-CG 3.52Å; F100-Y203 VanDerWaalsContact CZ-CB 3.42Å; F100-Y203 HydrophobicContact CZ-CD1 4.31Å; F100-Y203 HydrophobicContact CZ-CD2 4.03Å; F100-Y203 AromaticContact CZ-CG 3.66Å; F100-Y203 HydrophobicContact CZ-CG 3.66Å; N199-Y203 WeakPolarHBondContact O-CB 3.47Å; N199-Y203 PolarHBondContact O-N 2.88Å; V200-Y203 WeakPolarHBondContact O-CB 3.3Å; V200-Y203 PolarHBondContact O-N 2.96Å; Y201-Y203 VanDerWaalsContact C-N 3.29Å; Y201-Y203 PolarHBondContact O-N 2.92Å; Y203-A205 VanDerWaalsContact C-N 3.32Å; Y203-A205 PolarHBondContact O-N 2.63Å; Y203-E206 PolarHBondContact O-N 2.88Å; Y203-V207 HydrophobicContact CD1-CG2 4.44Å; Y203-V207 HydrophobicContact CD2-CG1 3.84Å; Y203-V207 HydrophobicContact CE1-CG1 4.39Å; Y203-V207 HydrophobicContact CE1-CG2 4.06Å; Y203-V207 HydrophobicContact CE2-CG1 3.45Å; Y203-V207 VanDerWaalsContact CE2-CG1 3.45Å; Y203-V207 HydrophobicContact CG-CG1 4.47Å; Y203-V207 VanDerWaalsContact O-CG2 3.28Å; Y203-V207 WeakPolarHBondContact O-CG2 3.38Å; Y203-V207 PolarHBondContact O-N 2.84Å; Y203-V227 HydrophobicContact CE1-CG2 4.19Å
204	L	98.1	Very high	96.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-57.6	-45.4	178.2	-69.4	171	0	0	0	111.6	F97 V122 V200 Y201 S208 F219 I221 V227	F97-L204 HydrophobicContact CD2-CD2 3.79Å; F97-L204 HydrophobicContact CD2-CG 4.27Å; F97-L204 HydrophobicContact CE2-CD1 4.14Å; F97-L204 HydrophobicContact CE2-CD2 4.18Å; F97-L204 HydrophobicContact CE2-CG 4.39Å; V122-L204 HydrophobicContact CG1-CD1 3.89Å; V200-L204 HydrophobicContact CG1-CD1 4.21Å; V200-L204 WeakPolarHBondContact O-CG 3.38Å; V200-L204 PolarHBondContact O-N 2.72Å; Y201-L204 HydrophobicContact CD1-CD1 4.26Å; Y201-L204 HydrophobicContact CE1-CD1 4.37Å; Y201-L204 HydrophobicContact CG-CD1 4.38Å; Y201-L204 PolarHBondContact O-N 2.94Å; L204-S208 WeakPolarHBondContact O-CB 3.17Å; L204-S208 PolarHBondContact O-N 2.97Å; L204-S208 VanDerWaalsContact O-N 3.08Å; L204-S208 PolarHBondContact O-OG 3.19Å; L204-F219 HydrophobicContact CB-CD1 4.47Å; L204-F219 HydrophobicContact CB-CD2 4.18Å; L204-F219 HydrophobicContact CB-CE1 4.38Å; L204-F219 HydrophobicContact CB-CE2 4.04Å; L204-F219 HydrophobicContact CB-CG 4.36Å; L204-F219 HydrophobicContact CB-CZ 4.15Å; L204-F219 HydrophobicContact CD1-CD2 3.73Å; L204-F219 HydrophobicContact CD1-CE2 4.16Å; L204-F219 HydrophobicContact CD1-CG 4.24Å; L204-F219 HydrophobicContact CD2-CB 4.12Å; L204-F219 HydrophobicContact CD2-CD2 4.5Å; L204-F219 HydrophobicContact CD2-CG 4.19Å; L204-F219 HydrophobicContact CG-CD2 4.36Å; L204-F219 HydrophobicContact CG-CG 4.5Å; L204-I221 HydrophobicContact CD2-CD1 3.75Å; L204-V227 HydrophobicContact CD2-CG2 3.69Å
205	A	96.9	Very high	96.9	Very high	18 Å²	18	57.3 Å²	57.3	15%	0.149	33%	0.327	C	S	.	.	H	α-helix	trans	-64.5	-43.9	177.8	0	0	0	0	0	112.2	Y201 K202 Y203 G209 K210 E211	Y201-A205 WeakPolarHBondContact O-CB 3.4Å; Y201-A205 PolarHBondContact O-N 3.21Å; K202-A205 PolarHBondContact O-N 3.42Å; Y203-A205 VanDerWaalsContact C-N 3.32Å; Y203-A205 PolarHBondContact O-N 2.63Å; A205-G209 WeakPolarHBondContact O-CA 3.44Å; A205-G209 PolarHBondContact O-N 3.29Å; A205-K210 WeakPolarHBondContact CA-O 2.93Å; A205-K210 PolarHBondContact O-N 3.36Å; A205-E211 HydrophobicContact CB-CB 4.27Å; A205-E211 HydrophobicContact CB-CG 4.44Å
206	E	95.9	Very high	97.2	Very high	153 Å²	153	50.6 Å²	50.6	72%	0.715	29%	0.286	S	S	*	.	H	α-helix	trans	-61.6	-50.7	179.4	-176.4	-178.1	173.6	0	0	112.1	K202 Y203	K202-E206 VanDerWaalsContact O-CB 3.3Å; K202-E206 WeakPolarHBondContact O-CB 3.2Å; K202-E206 PolarHBondContact O-N 3.45Å; Y203-E206 PolarHBondContact O-N 2.88Å
207	V	96.1	Very high	97.3	Very high	71 Å²	71	49.1 Å²	49.1	43%	0.43	26%	0.261	S	S	.	.	H	α-helix	trans	-78.6	-28.3	-174.3	-57.7	0	0	0	0	113.5	Y203 V227	Y203-V207 HydrophobicContact CD1-CG2 4.44Å; Y203-V207 HydrophobicContact CD2-CG1 3.84Å; Y203-V207 HydrophobicContact CE1-CG1 4.39Å; Y203-V207 HydrophobicContact CE1-CG2 4.06Å; Y203-V207 HydrophobicContact CE2-CG1 3.45Å; Y203-V207 VanDerWaalsContact CE2-CG1 3.45Å; Y203-V207 HydrophobicContact CG-CG1 4.47Å; Y203-V207 VanDerWaalsContact O-CG2 3.28Å; Y203-V207 WeakPolarHBondContact O-CG2 3.38Å; Y203-V207 PolarHBondContact O-N 2.84Å; V207-V227 HydrophobicContact CG2-CB 3.9Å; V207-V227 HydrophobicContact CG2-CG2 3.34Å
208	S	96.1	Very high	97.4	Very high	32 Å²	32	48.9 Å²	48.9	22%	0.224	26%	0.259	C	S	.	.	H	α-helix	trans	-91	-17.1	179.5	69.9	0	0	0	0	113.5	L204 K210 F219	L204-S208 WeakPolarHBondContact O-CB 3.17Å; L204-S208 PolarHBondContact O-N 2.97Å; L204-S208 VanDerWaalsContact O-N 3.08Å; L204-S208 PolarHBondContact O-OG 3.19Å; S208-K210 PolarHBondContact O-N 3.31Å; S208-K210 WeakPolarHBondContact OG-CB 3.48Å; S208-K210 PolarHBondContact OG-N 3.29Å; S208-K210 VanDerWaalsContact OG-N 3.1Å; S208-K210 PolarHBondContact OG-O 3.1Å; S208-F219 WeakPolarHBondContact OG-CE1 3.37Å
209	G	96.4	Very high	97.4	Very high	72 Å²	72	46.6 Å²	46.6	74%	0.742	25%	0.247	S	C	*	.	S	Bend	trans	65.2	14.4	-168.5	0	0	0	0	0	113.7	A205	A205-G209 WeakPolarHBondContact O-CA 3.44Å; A205-G209 PolarHBondContact O-N 3.29Å
210	K	95.8	Very high	97.5	Very high	75 Å²	75	41.6 Å²	41.6	33%	0.326	22%	0.22	S	C	.	.			trans	-122.7	112.9	-175.9	-65.4	172.8	-179	177.6	0	109.7	A205 S208 W217 F219 D229 G230	A205-K210 WeakPolarHBondContact CA-O 2.93Å; A205-K210 PolarHBondContact O-N 3.36Å; S208-K210 PolarHBondContact O-N 3.31Å; S208-K210 WeakPolarHBondContact OG-CB 3.48Å; S208-K210 PolarHBondContact OG-N 3.29Å; S208-K210 VanDerWaalsContact OG-N 3.1Å; S208-K210 PolarHBondContact OG-O 3.1Å; K210-W217 HydrophobicContact CB-CZ2 3.91Å; K210-W217 HydrophobicContact CD-CZ2 4.39Å; K210-W217 HydrophobicContact CG-CZ2 4.45Å; K210-F219 HydrophobicContact CB-CE1 4.25Å; K210-F219 WeakPolarHBondContact O-CZ 3.21Å; K210-D229 IonicContact NZ-OD1 2.97Å; K210-D229 PolarHBondContact NZ-OD1 2.95Å; K210-G230 PolarHBondContact NZ-O 3.01Å
211	E	96.5	Very high	97.6	Very high	113 Å²	113	41.6 Å²	41.6	53%	0.528	22%	0.22	S	C	.	.			trans	-96	138.1	173.5	-171.3	172.3	-134.3	0	0	110.3	V193 A205 D213	V193-E211 HydrophobicContact CB-CG 4.4Å; V193-E211 HydrophobicContact CG1-CG 3.56Å; A205-E211 HydrophobicContact CB-CB 4.27Å; A205-E211 HydrophobicContact CB-CG 4.44Å; E211-D213 PolarHBondContact O-N 2.89Å
212	P	98.1	Very high	97.6	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.032	23%	0.228	C	C	.	.			trans	-59.8	123.2	176.5	-25.3	35.3	0	0	0	112.7	F161 V192 V193 Y201 W217 F219	F161-P212 HydrophobicContact CZ-CB 4.07Å; F161-P212 WeakPolarHBondContact CZ-O 3.47Å; V192-P212 HydrophobicContact CG2-CB 4.24Å; V192-P212 HydrophobicContact CG2-CG 4.38Å; V193-P212 HydrophobicContact CG1-CB 4.36Å; V193-P212 WeakPolarHBondContact CG1-O 3.25Å; Y201-P212 HydrophobicContact CD1-CG 3.94Å; Y201-P212 HydrophobicContact CE1-CG 4.02Å; P212-W217 HydrophobicContact CB-CB 3.86Å; P212-W217 HydrophobicContact CB-CD2 4.36Å; P212-W217 HydrophobicContact CB-CG 4.01Å; P212-W217 HydrophobicContact CG-CB 4.18Å; P212-W217 HydrophobicContact CG-CG 4.1Å; P212-F219 HydrophobicContact CG-CE2 4.12Å; P212-F219 HydrophobicContact CG-CZ 4.38Å
213	D	97.1	Very high	97.6	Very high	107 Å²	107	40.8 Å²	40.8	57%	0.572	22%	0.222	S	C	*	.			trans	-97.1	-10.2	175.4	64.5	2.5	0	0	0	113.6	E211 W217	E211-D213 PolarHBondContact O-N 2.89Å; D213-W217 VanDerWaalsContact OD1-CZ3 3.23Å; D213-W217 WeakPolarHBondContact OD1-CZ3 3.45Å
214	W	98.3	Very high	97.5	Very high	94 Å²	94	43.8 Å²	43.8	36%	0.356	24%	0.239	S	C	.	.	S	Bend	trans	-158.9	178.2	-178.4	-156.7	-111.4	0	0	0	112.8	N124 F161 P233	N124-W214 PolarHBondContact ND2-O 3.39Å; F161-W214 HydrophobicContact CB-CD2 4.27Å; F161-W214 HydrophobicContact CB-CE3 4.02Å; F161-W214 HydrophobicContact CB-CZ3 4.27Å; F161-W214 HydrophobicContact CD1-CE3 4.4Å; W214-P233 HydrophobicContact CB-CG 3.95Å; W214-P233 HydrophobicContact CG-CG 4.43Å
215	N	98.4	Very high	97.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	150.3	168.6	-64	-42.8	0	0	0	111.3	N124 A126 C129 F161 Q164 P233	N124-N215 WeakPolarHBondContact ND2-CA 3.31Å; A126-N215 HydrophobicContact CB-CB 3.9Å; A126-N215 WeakPolarHBondContact CB-ND2 3.3Å; C129-N215 HydrophobicContact CB-CB 4.45Å; F161-N215 WeakPolarHBondContact CD2-OD1 3.29Å; F161-N215 PolarHBondContact O-ND2 2.91Å; Q164-N215 PolarHBondContact OE1-ND2 2.98Å; N215-P233 WeakPolarHBondContact O-CB 3.4Å
216	F	98.4	Very high	97.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	36.8	-179.6	-54.8	-80.8	0	0	0	114.8	V123 N124 V125 A126 C129 F131 H135 Y136 K218 P233	V123-F216 HydrophobicContact CG1-CD1 4.28Å; N124-F216 WeakPolarHBondContact O-CA 3.04Å; N124-F216 PolarHBondContact O-N 3.25Å; V125-F216 HydrophobicContact CB-CE1 4.13Å; V125-F216 HydrophobicContact CG1-CD1 4.24Å; V125-F216 HydrophobicContact CG1-CE1 3.94Å; A126-F216 WeakPolarHBondContact O-CZ 3.4Å; C129-F216 HydrophobicContact CB-CE2 3.89Å; F131-F216 HydrophobicContact CB-CD2 3.59Å; F131-F216 HydrophobicContact CB-CE2 3.92Å; F131-F216 HydrophobicContact CB-CG 4.39Å; H135-F216 HydrophobicContact CB-CD1 3.35Å; H135-F216 HydrophobicContact CB-CE1 3.57Å; H135-F216 HydrophobicContact CB-CG 3.9Å; H135-F216 HydrophobicContact CB-CZ 4.3Å; H135-F216 AromaticContact CG-CD1 3.78Å; H135-F216 AromaticContact CG-CG 3.85Å; Y136-F216 HydrophobicContact CD2-CE1 4.28Å; Y136-F216 HydrophobicContact CD2-CZ 4.25Å; Y136-F216 HydrophobicContact CE2-CE1 4.23Å; Y136-F216 HydrophobicContact CE2-CZ 4.11Å; F216-K218 VanDerWaalsContact O-CD 3.25Å; F216-K218 WeakPolarHBondContact O-CD 3.42Å; F216-K218 WeakPolarHBondContact O-CE 3.37Å; F216-K218 PolarHBondContact O-NZ 2.99Å; F216-P233 WeakPolarHBondContact O-CA 3.48Å
217	W	98.5	Very high	97.6	Very high	28 Å²	28	44.2 Å²	44.2	11%	0.106	23%	0.234	C	C	.	.			trans	-71.6	141.7	159.2	-159.5	-82.9	0	0	0	109.5	V123 N124 K210 P212 D213 F219 W231 G232	V123-W217 VanDerWaalsContact CA-O 3.3Å; V123-W217 WeakPolarHBondContact CA-O 3.43Å; V123-W217 WeakPolarHBondContact CG1-O 3.27Å; N124-W217 PolarHBondContact N-O 3.43Å; N124-W217 VanDerWaalsContact OD1-CA 3.29Å; N124-W217 WeakPolarHBondContact OD1-CA 3.08Å; N124-W217 WeakPolarHBondContact OD1-CB 3.03Å; N124-W217 PolarHBondContact OD1-N 3.02Å; N124-W217 PolarHBondContact OD1-O 2.64Å; K210-W217 HydrophobicContact CB-CZ2 3.91Å; K210-W217 HydrophobicContact CD-CZ2 4.39Å; K210-W217 HydrophobicContact CG-CZ2 4.45Å; P212-W217 HydrophobicContact CB-CB 3.86Å; P212-W217 HydrophobicContact CB-CD2 4.36Å; P212-W217 HydrophobicContact CB-CG 4.01Å; P212-W217 HydrophobicContact CG-CB 4.18Å; P212-W217 HydrophobicContact CG-CG 4.1Å; D213-W217 VanDerWaalsContact OD1-CZ3 3.23Å; D213-W217 WeakPolarHBondContact OD1-CZ3 3.45Å; W217-F219 AromaticContact CD1-CD2 3.78Å; W217-F219 AromaticContact CD1-CE1 3.93Å; W217-F219 AromaticContact CD1-CE2 3.24Å; W217-F219 AromaticContact CD1-CZ 3.33Å; W217-F219 HydrophobicContact CG-CE2 4.31Å; W217-F219 HydrophobicContact CG-CZ 4.47Å; W217-F219 AromaticContact NE1-CE1 3.49Å; W217-F219 AromaticContact NE1-CE2 3.69Å; W217-F219 AromaticContact NE1-CZ 3.22Å; W217-W231 WeakPolarHBondContact CA-O 3.42Å; W217-G232 VanDerWaalsContact CZ3-CA 3.42Å
218	K	98.6	Very high	97.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.8	-178.1	-48.6	94.2	179.2	175.1	0	110.6	L121 V122 V123 H135 F216 G230 W231 G232 P233 V235 I240	L121-K218 HydrophobicContact CD1-CB 3.98Å; V122-K218 CarbonylContact O-C 3.52Å; V122-K218 VanDerWaalsContact O-CA 3.31Å; V122-K218 WeakPolarHBondContact O-CA 3.21Å; V123-K218 HydrophobicContact CG1-CG 4.23Å; V123-K218 HydrophobicContact CG2-CB 4.23Å; V123-K218 HydrophobicContact CG2-CG 3.88Å; H135-K218 PolarHBondContact CE1-NZ 3.35Å; H135-K218 WeakPolarHBondContact ND1-CE 3.44Å; F216-K218 VanDerWaalsContact O-CD 3.25Å; F216-K218 WeakPolarHBondContact O-CD 3.42Å; F216-K218 WeakPolarHBondContact O-CE 3.37Å; F216-K218 PolarHBondContact O-NZ 2.99Å; K218-G230 CarbonylContact O-C 3.42Å; K218-G230 WeakPolarHBondContact O-CA 3.36Å; K218-W231 HydrophobicContact CB-CE3 4.4Å; K218-W231 PolarHBondContact N-O 3.08Å; K218-W231 PolarHBondContact O-N 2.83Å; K218-G232 PolarHBondContact NZ-O 3.07Å; K218-P233 PolarHBondContact NZ-O 3.28Å; K218-V235 PolarHBondContact NZ-O 3.26Å; K218-I240 HydrophobicContact CD-CD1 4.22Å
219	F	98.8	Very high	97.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.1	167.8	-62.7	-82.7	0	0	0	109.7	V122 Y201 L204 S208 K210 P212 W217 I221 V227 D229	V122-F219 HydrophobicContact CB-CB 4.34Å; V122-F219 PolarHBondContact N-O 3.33Å; V122-F219 PolarHBondContact O-N 2.84Å; Y201-F219 HydrophobicContact CD1-CE2 4.38Å; Y201-F219 HydrophobicContact CE1-CE2 4.14Å; L204-F219 HydrophobicContact CB-CD1 4.47Å; L204-F219 HydrophobicContact CB-CD2 4.18Å; L204-F219 HydrophobicContact CB-CE1 4.38Å; L204-F219 HydrophobicContact CB-CE2 4.04Å; L204-F219 HydrophobicContact CB-CG 4.36Å; L204-F219 HydrophobicContact CB-CZ 4.15Å; L204-F219 HydrophobicContact CD1-CD2 3.73Å; L204-F219 HydrophobicContact CD1-CE2 4.16Å; L204-F219 HydrophobicContact CD1-CG 4.24Å; L204-F219 HydrophobicContact CD2-CB 4.12Å; L204-F219 HydrophobicContact CD2-CD2 4.5Å; L204-F219 HydrophobicContact CD2-CG 4.19Å; L204-F219 HydrophobicContact CG-CD2 4.36Å; L204-F219 HydrophobicContact CG-CG 4.5Å; S208-F219 WeakPolarHBondContact OG-CE1 3.37Å; K210-F219 HydrophobicContact CB-CE1 4.25Å; K210-F219 WeakPolarHBondContact O-CZ 3.21Å; P212-F219 HydrophobicContact CG-CE2 4.12Å; P212-F219 HydrophobicContact CG-CZ 4.38Å; W217-F219 AromaticContact CD1-CD2 3.78Å; W217-F219 AromaticContact CD1-CE1 3.93Å; W217-F219 AromaticContact CD1-CE2 3.24Å; W217-F219 AromaticContact CD1-CZ 3.33Å; W217-F219 HydrophobicContact CG-CE2 4.31Å; W217-F219 HydrophobicContact CG-CZ 4.47Å; W217-F219 AromaticContact NE1-CE1 3.49Å; W217-F219 AromaticContact NE1-CE2 3.69Å; W217-F219 AromaticContact NE1-CZ 3.22Å; F219-I221 HydrophobicContact CB-CD1 4.36Å; F219-V227 HydrophobicContact CD1-CG1 4.32Å; F219-D229 WeakPolarHBondContact CA-O 3.28Å
220	L	98.8	Very high	97.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.5	176	-175.4	62.6	0	0	0	109.6	V119 L121 V228 D229 W231 K243 I244 M247	V119-L220 HydrophobicContact CG1-CD1 3.51Å; V119-L220 HydrophobicContact CG1-CG 4.44Å; L121-L220 HydrophobicContact CD1-CD1 4.35Å; L220-V228 HydrophobicContact CB-CB 4.48Å; L220-V228 HydrophobicContact CD2-CB 4.49Å; L220-V228 HydrophobicContact CD2-CG1 4.47Å; L220-V228 HydrophobicContact CG-CB 4.37Å; L220-V228 PolarHBondContact O-N 3.43Å; L220-D229 PolarHBondContact N-O 3.11Å; L220-W231 HydrophobicContact CB-CH2 3.97Å; L220-W231 HydrophobicContact CB-CZ3 3.76Å; L220-W231 HydrophobicContact CD2-CH2 4Å; L220-K243 HydrophobicContact CD2-CD 4.11Å; L220-K243 HydrophobicContact CD2-CG 4.04Å; L220-I244 HydrophobicContact CD1-CD1 4.48Å; L220-I244 HydrophobicContact CD1-CG1 3.89Å; L220-I244 HydrophobicContact CD2-CG1 4.48Å; L220-M247 HydrophobicContact CD2-SD 3.59Å; L220-M247 VanDerWaalsContact CD2-SD 3.59Å; L220-M247 HydrophobicContact CG-SD 4.11Å
221	I	98.8	Very high	98	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.7	-178.3	-44.2	-60.4	0	0	0	108.5	F97 Y98 V119 S120 V122 L204 F219 R226 V227	F97-I221 HydrophobicContact CB-CD1 4.4Å; F97-I221 HydrophobicContact CB-CG2 3.94Å; F97-I221 HydrophobicContact CD1-CB 4.42Å; F97-I221 HydrophobicContact CD1-CG1 4Å; F97-I221 HydrophobicContact CD1-CG2 3.89Å; F97-I221 HydrophobicContact CD2-CD1 4.26Å; F97-I221 HydrophobicContact CD2-CG1 4.45Å; F97-I221 HydrophobicContact CE1-CG1 4.29Å; F97-I221 HydrophobicContact CG-CD1 4.15Å; F97-I221 HydrophobicContact CG-CG1 4.1Å; F97-I221 HydrophobicContact CG-CG2 4.1Å; Y98-I221 HydrophobicContact CE1-CG2 4.36Å; Y98-I221 HydrophobicContact CE2-CG2 4.26Å; V119-I221 WeakPolarHBondContact CA-O 3.23Å; V119-I221 WeakPolarHBondContact CG1-O 3.31Å; S120-I221 PolarHBondContact N-O 2.86Å; S120-I221 PolarHBondContact O-N 3.33Å; V122-I221 HydrophobicContact CG2-CD1 4.4Å; V122-I221 HydrophobicContact CG2-CG1 3.71Å; L204-I221 HydrophobicContact CD2-CD1 3.75Å; F219-I221 HydrophobicContact CB-CD1 4.36Å; I221-R226 WeakPolarHBondContact CA-O 3.37Å; I221-V227 HydrophobicContact CD1-CB 4.27Å; I221-V227 HydrophobicContact CD1-CG1 4.36Å; I221-V227 HydrophobicContact CD1-CG2 3.72Å
222	D	98.3	Very high	98	Very high	28 Å²	28	34.6 Å²	34.6	15%	0.15	17%	0.171	C	C	.	.			trans	-76.4	-175.8	174.9	72.2	13.7	0	0	0	112.8	Y98 D224 G225 R226 V228 M247	Y98-D222 VanDerWaalsContact CE2-O 3.23Å; Y98-D222 WeakPolarHBondContact CE2-O 3.3Å; Y98-D222 PolarHBondContact OH-O 3.3Å; D222-D224 PolarHBondContact O-N 2.81Å; D222-D224 WeakPolarHBondContact OD1-CA 3.28Å; D222-D224 PolarHBondContact OD1-N 2.76Å; D222-G225 PolarHBondContact O-N 2.85Å; D222-G225 PolarHBondContact OD1-N 2.97Å; D222-R226 PolarHBondContact N-O 3.19Å; D222-R226 PolarHBondContact OD1-N 2.57Å; D222-R226 WeakPolarHBondContact OD2-CB 3.3Å; D222-V228 HydrophobicContact CB-CG2 3.73Å; D222-M247 HydrophobicContact CB-CE 3.76Å
223	V	97.4	Very high	97.9	Very high	39 Å²	39	35 Å²	35	24%	0.236	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.1	-179	-63.4	0	0	0	0	114	R116 G117 I251	R116-V223 WeakPolarHBondContact CG-O 3.33Å; G117-V223 PolarHBondContact N-O 3.01Å; V223-I251 HydrophobicContact CG1-CD1 3.29Å; V223-I251 HydrophobicContact CG1-CG1 3.71Å
224	D	96.3	Very high	97.9	Very high	84 Å²	84	38.7 Å²	38.7	45%	0.449	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-0.6	-177.3	-63	-39.9	0	0	0	112.1	R116 D222	R116-D224 PolarHBondContact NH1-O 3.16Å; D222-D224 PolarHBondContact O-N 2.81Å; D222-D224 WeakPolarHBondContact OD1-CA 3.28Å; D222-D224 PolarHBondContact OD1-N 2.76Å
225	G	97.4	Very high	97.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	88.1	14.3	178.2	0	0	0	0	0	113.8	F97 Y98 D222	F97-G225 VanDerWaalsContact CB-O 3.23Å; F97-G225 WeakPolarHBondContact CB-O 3.47Å; F97-G225 PolarHBondContact N-O 3.2Å; Y98-G225 VanDerWaalsContact CE2-CA 3.48Å; D222-G225 PolarHBondContact O-N 2.85Å; D222-G225 PolarHBondContact OD1-N 2.97Å
226	R	97.7	Very high	97.8	Very high	146 Å²	146	38.6 Å²	38.6	55%	0.551	20%	0.195	S	C	*	.			trans	-86.4	142.2	176.7	-52	175.6	177	175.8	0.5	110.2	I221 D222 V228	I221-R226 WeakPolarHBondContact CA-O 3.37Å; D222-R226 PolarHBondContact N-O 3.19Å; D222-R226 PolarHBondContact OD1-N 2.57Å; D222-R226 WeakPolarHBondContact OD2-CB 3.3Å; R226-V228 PolarHBondContact O-N 2.98Å
227	V	97.9	Very high	97.8	Very high	34 Å²	34	38.6 Å²	38.6	21%	0.206	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	116.7	174.8	-173.4	0	0	0	0	109	Y203 L204 V207 F219 I221	Y203-V227 HydrophobicContact CE1-CG2 4.19Å; L204-V227 HydrophobicContact CD2-CG2 3.69Å; V207-V227 HydrophobicContact CG2-CB 3.9Å; V207-V227 HydrophobicContact CG2-CG2 3.34Å; F219-V227 HydrophobicContact CD1-CG1 4.32Å; I221-V227 HydrophobicContact CD1-CB 4.27Å; I221-V227 HydrophobicContact CD1-CG1 4.36Å; I221-V227 HydrophobicContact CD1-CG2 3.72Å
228	V	97.8	Very high	97.7	Very high	59 Å²	59	41.5 Å²	41.5	36%	0.358	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-39.3	-179.8	-179.2	0	0	0	0	111.1	L220 D222 R226 M247	L220-V228 HydrophobicContact CB-CB 4.48Å; L220-V228 HydrophobicContact CD2-CB 4.49Å; L220-V228 HydrophobicContact CD2-CG1 4.47Å; L220-V228 HydrophobicContact CG-CB 4.37Å; L220-V228 PolarHBondContact O-N 3.43Å; D222-V228 HydrophobicContact CB-CG2 3.73Å; R226-V228 PolarHBondContact O-N 2.98Å; V228-M247 HydrophobicContact CG1-SD 4.48Å; V228-M247 HydrophobicContact CG2-CE 3.9Å
229	D	97.9	Very high	97.7	Very high	42 Å²	42	48 Å²	48	23%	0.225	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	174.4	-178.4	-146.4	-23.6	0	0	0	111.8	K210 F219 L220 W231 K243	K210-D229 IonicContact NZ-OD1 2.97Å; K210-D229 PolarHBondContact NZ-OD1 2.95Å; F219-D229 WeakPolarHBondContact CA-O 3.28Å; L220-D229 PolarHBondContact N-O 3.11Å; D229-W231 HydrophobicContact CB-CH2 3.49Å; D229-W231 VanDerWaalsContact CB-CH2 3.49Å; D229-W231 HydrophobicContact CB-CZ2 3.61Å; D229-W231 HydrophobicContact CB-CZ3 4.02Å; D229-W231 VanDerWaalsContact OD2-CZ2 3.26Å; D229-W231 WeakPolarHBondContact OD2-CZ2 3.12Å; D229-K243 IonicContact OD2-NZ 3.69Å; D229-K243 PolarHBondContact OD2-NZ 3.09Å
230	G	97.9	Very high	97.6	Very high	3 Å²	3	48.1 Å²	48.1	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	148.8	169.7	0	0	0	0	0	113.7	K210 K218	K210-G230 PolarHBondContact NZ-O 3.01Å; K218-G230 CarbonylContact O-C 3.42Å; K218-G230 WeakPolarHBondContact O-CA 3.36Å
231	W	98.4	Very high	97.6	Very high	44 Å²	44	51.8 Å²	51.8	17%	0.167	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	145.9	-174.4	-54.8	-92.9	0	0	0	111.9	W217 K218 L220 D229 V235 I240 K243	W217-W231 WeakPolarHBondContact CA-O 3.42Å; K218-W231 HydrophobicContact CB-CE3 4.4Å; K218-W231 PolarHBondContact N-O 3.08Å; K218-W231 PolarHBondContact O-N 2.83Å; L220-W231 HydrophobicContact CB-CH2 3.97Å; L220-W231 HydrophobicContact CB-CZ3 3.76Å; L220-W231 HydrophobicContact CD2-CH2 4Å; D229-W231 HydrophobicContact CB-CH2 3.49Å; D229-W231 VanDerWaalsContact CB-CH2 3.49Å; D229-W231 HydrophobicContact CB-CZ2 3.61Å; D229-W231 HydrophobicContact CB-CZ3 4.02Å; D229-W231 VanDerWaalsContact OD2-CZ2 3.26Å; D229-W231 WeakPolarHBondContact OD2-CZ2 3.12Å; W231-V235 HydrophobicContact CB-CB 3.88Å; W231-V235 HydrophobicContact CB-CG1 4.19Å; W231-V235 HydrophobicContact CB-CG2 3.99Å; W231-V235 HydrophobicContact CG-CB 4.33Å; W231-V235 HydrophobicContact CG-CG1 4.12Å; W231-V235 HydrophobicContact CG-CG2 4.38Å; W231-I240 HydrophobicContact CB-CD1 4.3Å; W231-I240 HydrophobicContact CD2-CD1 3.75Å; W231-I240 HydrophobicContact CD2-CG1 3.98Å; W231-I240 HydrophobicContact CE3-CD1 3.58Å; W231-I240 HydrophobicContact CE3-CG1 4.1Å; W231-I240 HydrophobicContact CE3-CG2 4.24Å; W231-I240 HydrophobicContact CG-CD1 4.09Å; W231-I240 HydrophobicContact CG-CG1 4.43Å; W231-I240 HydrophobicContact CH2-CG1 4.46Å; W231-I240 HydrophobicContact CH2-CG2 3.56Å; W231-I240 HydrophobicContact CZ2-CG1 4.39Å; W231-I240 HydrophobicContact CZ2-CG2 4.13Å; W231-I240 HydrophobicContact CZ3-CD1 4.1Å; W231-I240 HydrophobicContact CZ3-CG1 4.33Å; W231-I240 HydrophobicContact CZ3-CG2 3.64Å; W231-K243 HydrophobicContact CH2-CD 4.22Å; W231-K243 HydrophobicContact CZ2-CD 4.16Å
232	G	97.9	Very high	97.6	Very high	14 Å²	14	55.3 Å²	55.3	14%	0.144	28%	0.278	C	S	.	.			trans	-75	-179	174.5	0	0	0	0	0	114.6	W217 K218 K234 V235	W217-G232 VanDerWaalsContact CZ3-CA 3.42Å; K218-G232 PolarHBondContact NZ-O 3.07Å; G232-K234 VanDerWaalsContact C-N 3.26Å; G232-K234 PolarHBondContact O-N 2.73Å; G232-V235 PolarHBondContact O-N 2.96Å
233	P	95.6	Very high	97.6	Very high	13 Å²	13	57.6 Å²	57.6	8%	0.084	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-36.7	-177.4	20.5	-34.2	0	0	0	113.8	F131 H135 W214 N215 F216 K218 V235	F131-P233 HydrophobicContact CD2-CB 4Å; F131-P233 HydrophobicContact CE2-CB 3.88Å; F131-P233 HydrophobicContact CZ-CB 4.41Å; H135-P233 PolarHBondContact CE1-O 2.95Å; H135-P233 PolarHBondContact NE2-O 3Å; W214-P233 HydrophobicContact CB-CG 3.95Å; W214-P233 HydrophobicContact CG-CG 4.43Å; N215-P233 WeakPolarHBondContact O-CB 3.4Å; F216-P233 WeakPolarHBondContact O-CA 3.48Å; K218-P233 PolarHBondContact NZ-O 3.28Å; P233-V235 VanDerWaalsContact C-N 3.26Å; P233-V235 PolarHBondContact O-N 3.36Å
234	K	96.6	Very high	97.7	Very high	185 Å²	185	55.7 Å²	55.7	80%	0.804	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.2	-171.7	-64.5	179.6	-177.5	174.9	0	113.7	G232 P236	G232-K234 VanDerWaalsContact C-N 3.26Å; G232-K234 PolarHBondContact O-N 2.73Å; K234-P236 VanDerWaalsContact O-CD 3.3Å; K234-P236 WeakPolarHBondContact O-CD 3.38Å
235	V	97.8	Very high	97.8	Very high	40 Å²	40	52.9 Å²	52.9	24%	0.242	26%	0.264	C	S	.	.	S	Bend	trans	-80.5	116.6	175.1	-178.7	0	0	0	0	108.3	K218 W231 G232 P233 I240	K218-V235 PolarHBondContact NZ-O 3.26Å; W231-V235 HydrophobicContact CB-CB 3.88Å; W231-V235 HydrophobicContact CB-CG1 4.19Å; W231-V235 HydrophobicContact CB-CG2 3.99Å; W231-V235 HydrophobicContact CG-CB 4.33Å; W231-V235 HydrophobicContact CG-CG1 4.12Å; W231-V235 HydrophobicContact CG-CG2 4.38Å; G232-V235 PolarHBondContact O-N 2.96Å; P233-V235 VanDerWaalsContact C-N 3.26Å; P233-V235 PolarHBondContact O-N 3.36Å; V235-I240 HydrophobicContact CG1-CD1 4.3Å; V235-I240 HydrophobicContact CG1-CG1 4.16Å
236	P	97.1	Very high	97.8	Very high	52 Å²	52	57.3 Å²	57.3	34%	0.338	29%	0.288	S	S	.	.			trans	-61.4	141.9	176.5	-21.3	33.8	0	0	0	111.4	K234 M238 E239	K234-P236 VanDerWaalsContact O-CD 3.3Å; K234-P236 WeakPolarHBondContact O-CD 3.38Å; P236-M238 PolarHBondContact O-N 3.4Å; P236-E239 HydrophobicContact CB-CG 4.28Å; P236-E239 WeakPolarHBondContact CD-OE1 3.23Å; P236-E239 HydrophobicContact CG-CG 4.29Å; P236-E239 WeakPolarHBondContact CG-OE1 3.03Å; P236-E239 PolarHBondContact O-N 2.74Å; P236-E239 VanDerWaalsContact O-N 3.11Å
237	I	97.8	Very high	97.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-32.8	179.3	-72.2	167.1	0	0	0	111.1	H135 D138 L139 L142 E239 I240 R241	H135-I237 HydrophobicContact CB-CD1 4.07Å; H135-I237 WeakPolarHBondContact ND1-CD1 3.48Å; D138-I237 HydrophobicContact CB-CB 3.67Å; D138-I237 HydrophobicContact CB-CD1 3.86Å; D138-I237 HydrophobicContact CB-CG1 4.35Å; D138-I237 HydrophobicContact CB-CG2 3.79Å; L139-I237 HydrophobicContact CD2-CD1 3.58Å; L139-I237 HydrophobicContact CG-CD1 3.6Å; L142-I237 HydrophobicContact CD1-CG2 3.26Å; L142-I237 HydrophobicContact CG-CG2 3.84Å; I237-E239 PolarHBondContact O-N 2.75Å; I237-I240 WeakPolarHBondContact O-CA 3.49Å; I237-I240 WeakPolarHBondContact O-CB 3.4Å; I237-I240 PolarHBondContact O-N 2.84Å; I237-R241 PolarHBondContact O-N 3.41Å; I237-R241 VanDerWaalsContact O-N 3.07Å
238	M	97.2	Very high	97.8	Very high	88 Å²	88	50.9 Å²	50.9	43%	0.433	26%	0.262	S	S	.	.	H	α-helix	trans	-66.1	-22	178	-64.1	-56.8	-71.3	0	0	113.8	P236 R241	P236-M238 PolarHBondContact O-N 3.4Å; M238-R241 WeakPolarHBondContact O-CB 3.37Å
239	E	98	Very high	97.8	Very high	137 Å²	137	55.5 Å²	55.5	64%	0.64	27%	0.273	S	S	*	.	H	α-helix	trans	-75.3	-26.8	170.6	-68.4	-178.1	-158.1	0	0	112.2	P236 I237 P242	P236-E239 HydrophobicContact CB-CG 4.28Å; P236-E239 WeakPolarHBondContact CD-OE1 3.23Å; P236-E239 HydrophobicContact CG-CG 4.29Å; P236-E239 WeakPolarHBondContact CG-OE1 3.03Å; P236-E239 PolarHBondContact O-N 2.74Å; P236-E239 VanDerWaalsContact O-N 3.11Å; I237-E239 PolarHBondContact O-N 2.75Å; E239-P242 WeakPolarHBondContact O-CD 3.5Å
240	I	98.1	Very high	97.7	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.015	29%	0.289	C	S	.	.	H	α-helix	trans	-80.9	-25.6	177	-54.1	167.7	0	0	0	110.6	K218 W231 V235 I237 K243 I244	K218-I240 HydrophobicContact CD-CD1 4.22Å; W231-I240 HydrophobicContact CB-CD1 4.3Å; W231-I240 HydrophobicContact CD2-CD1 3.75Å; W231-I240 HydrophobicContact CD2-CG1 3.98Å; W231-I240 HydrophobicContact CE3-CD1 3.58Å; W231-I240 HydrophobicContact CE3-CG1 4.1Å; W231-I240 HydrophobicContact CE3-CG2 4.24Å; W231-I240 HydrophobicContact CG-CD1 4.09Å; W231-I240 HydrophobicContact CG-CG1 4.43Å; W231-I240 HydrophobicContact CH2-CG1 4.46Å; W231-I240 HydrophobicContact CH2-CG2 3.56Å; W231-I240 HydrophobicContact CZ2-CG1 4.39Å; W231-I240 HydrophobicContact CZ2-CG2 4.13Å; W231-I240 HydrophobicContact CZ3-CD1 4.1Å; W231-I240 HydrophobicContact CZ3-CG1 4.33Å; W231-I240 HydrophobicContact CZ3-CG2 3.64Å; V235-I240 HydrophobicContact CG1-CD1 4.3Å; V235-I240 HydrophobicContact CG1-CG1 4.16Å; I237-I240 WeakPolarHBondContact O-CA 3.49Å; I237-I240 WeakPolarHBondContact O-CB 3.4Å; I237-I240 PolarHBondContact O-N 2.84Å; I240-K243 WeakPolarHBondContact O-CB 3.32Å; I240-K243 PolarHBondContact O-N 2.97Å; I240-K243 VanDerWaalsContact O-N 3.09Å; I240-I244 HydrophobicContact CG2-CD1 3.95Å; I240-I244 HydrophobicContact CG2-CG1 4.19Å; I240-I244 PolarHBondContact O-N 3.28Å
241	R	98.3	Very high	97.6	Very high	77 Å²	77	60 Å²	60	29%	0.291	29%	0.292	S	S	.	.	H	α-helix	trans	-49.6	-46.2	-175.5	-175.6	177.8	-177.5	-76.9	2.1	114.6	L142 D145 F146 I237 M238 K243 I244 A245	L142-R241 HydrophobicContact CD2-CB 3.96Å; L142-R241 HydrophobicContact CD2-CG 3.65Å; D145-R241 IonicContact OD2-CZ 3.54Å; D145-R241 IonicContact OD2-NE 3.34Å; D145-R241 PolarHBondContact OD2-NE 3.02Å; D145-R241 IonicContact OD2-NH2 2.84Å; D145-R241 PolarHBondContact OD2-NH2 3.06Å; F146-R241 HydrophobicContact CE2-CG 3.89Å; F146-R241 HydrophobicContact CZ-CG 4.16Å; I237-R241 PolarHBondContact O-N 3.41Å; I237-R241 VanDerWaalsContact O-N 3.07Å; M238-R241 WeakPolarHBondContact O-CB 3.37Å; R241-K243 VanDerWaalsContact C-N 3.33Å; R241-K243 PolarHBondContact O-N 3.08Å; R241-I244 PolarHBondContact O-N 2.87Å; R241-A245 WeakPolarHBondContact O-CB 3.37Å; R241-A245 PolarHBondContact O-N 3.23Å
242	P	98.5	Very high	97.4	Very high	74 Å²	74	61.6 Å²	61.6	48%	0.481	30%	0.304	S	S	.	.	H	α-helix	trans	-59.6	-41.8	179.3	-24.3	35.7	0	0	0	112.8	E239 I244 A245 D246	E239-P242 WeakPolarHBondContact O-CD 3.5Å; P242-I244 VanDerWaalsContact C-N 3.34Å; P242-I244 PolarHBondContact O-N 3.14Å; P242-A245 WeakPolarHBondContact O-CB 3.41Å; P242-A245 PolarHBondContact O-N 2.88Å; P242-D246 PolarHBondContact O-N 3.1Å
243	K	98.4	Very high	97.2	Very high	75 Å²	75	64 Å²	64	33%	0.326	31%	0.313	S	S	.	.	H	α-helix	trans	-62	-41.3	177.1	-174	170.3	179.4	170.6	0	111.6	L220 D229 W231 I240 R241 M247	L220-K243 HydrophobicContact CD2-CD 4.11Å; L220-K243 HydrophobicContact CD2-CG 4.04Å; D229-K243 IonicContact OD2-NZ 3.69Å; D229-K243 PolarHBondContact OD2-NZ 3.09Å; W231-K243 HydrophobicContact CH2-CD 4.22Å; W231-K243 HydrophobicContact CZ2-CD 4.16Å; I240-K243 WeakPolarHBondContact O-CB 3.32Å; I240-K243 PolarHBondContact O-N 2.97Å; I240-K243 VanDerWaalsContact O-N 3.09Å; R241-K243 VanDerWaalsContact C-N 3.33Å; R241-K243 PolarHBondContact O-N 3.08Å; K243-M247 WeakPolarHBondContact O-CG 3.45Å; K243-M247 PolarHBondContact O-N 3.49Å; K243-M247 VanDerWaalsContact O-N 3.13Å
244	I	98.5	Very high	97.1	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64.3	-46	174.5	-65.6	169.2	0	0	0	110.7	L121 L142 F146 F151 L220 I240 R241 P242 D246 M247 V248	L121-I244 HydrophobicContact CD1-CD1 4.47Å; L121-I244 HydrophobicContact CD2-CD1 4.26Å; L142-I244 HydrophobicContact CD1-CD1 3.75Å; F146-I244 HydrophobicContact CD2-CG2 3.76Å; F146-I244 HydrophobicContact CE2-CG2 4.05Å; F146-I244 HydrophobicContact CG-CG2 4.4Å; F151-I244 HydrophobicContact CD2-CG2 3.59Å; F151-I244 HydrophobicContact CE2-CD1 3.98Å; F151-I244 HydrophobicContact CE2-CG1 4.36Å; F151-I244 HydrophobicContact CE2-CG2 3.61Å; F151-I244 HydrophobicContact CG-CG2 4.27Å; F151-I244 HydrophobicContact CZ-CD1 4.18Å; F151-I244 HydrophobicContact CZ-CG2 4.29Å; L220-I244 HydrophobicContact CD1-CD1 4.48Å; L220-I244 HydrophobicContact CD1-CG1 3.89Å; L220-I244 HydrophobicContact CD2-CG1 4.48Å; I240-I244 HydrophobicContact CG2-CD1 3.95Å; I240-I244 HydrophobicContact CG2-CG1 4.19Å; I240-I244 PolarHBondContact O-N 3.28Å; R241-I244 PolarHBondContact O-N 2.87Å; P242-I244 VanDerWaalsContact C-N 3.34Å; P242-I244 PolarHBondContact O-N 3.14Å; I244-D246 VanDerWaalsContact C-N 3.31Å; I244-D246 PolarHBondContact O-N 2.78Å; I244-M247 PolarHBondContact O-N 3.37Å; I244-V248 HydrophobicContact CG2-CG2 4.28Å; I244-V248 WeakPolarHBondContact O-CB 3.29Å; I244-V248 WeakPolarHBondContact O-CG2 3.34Å; I244-V248 PolarHBondContact O-N 2.83Å
245	A	98.3	Very high	96.8	Very high	25 Å²	25	65.1 Å²	65.1	21%	0.207	32%	0.316	C	S	.	.	H	α-helix	trans	-59.3	-42.8	-179.9	0	0	0	0	0	111.7	F146 R241 P242 V248 R249	F146-A245 HydrophobicContact CE1-CB 3.93Å; F146-A245 HydrophobicContact CZ-CB 3.62Å; R241-A245 WeakPolarHBondContact O-CB 3.37Å; R241-A245 PolarHBondContact O-N 3.23Å; P242-A245 WeakPolarHBondContact O-CB 3.41Å; P242-A245 PolarHBondContact O-N 2.88Å; A245-V248 PolarHBondContact O-N 3.33Å; A245-R249 VanDerWaalsContact O-CB 3.26Å; A245-R249 WeakPolarHBondContact O-CB 3.35Å; A245-R249 PolarHBondContact O-N 2.95Å
246	D	98.3	Very high	96.5	Very high	93 Å²	93	70.5 Å²	70.5	50%	0.497	34%	0.337	S	S	.	.	H	α-helix	trans	-63.8	-47.4	177.1	-73.2	-22	0	0	0	111.4	P242 I244 V248 R249 Q250	P242-D246 PolarHBondContact O-N 3.1Å; I244-D246 VanDerWaalsContact C-N 3.31Å; I244-D246 PolarHBondContact O-N 2.78Å; D246-V248 PolarHBondContact O-N 3.29Å; D246-R249 WeakPolarHBondContact O-CB 3.5Å; D246-R249 PolarHBondContact O-N 2.6Å; D246-Q250 WeakPolarHBondContact O-CG 3.48Å; D246-Q250 PolarHBondContact O-N 3.23Å
247	M	98.2	Very high	96.2	Very high	40 Å²	40	75.7 Å²	75.7	20%	0.197	36%	0.356	C	S	.	.	H	α-helix	trans	-60.8	-45	177.5	-70	177.9	66	0	0	112	V119 L220 D222 V228 K243 I244 R249 Q250 I251	V119-M247 HydrophobicContact CG1-CE 3.97Å; V119-M247 HydrophobicContact CG1-SD 4.35Å; V119-M247 HydrophobicContact CG2-CB 3.78Å; V119-M247 HydrophobicContact CG2-CE 4.09Å; L220-M247 HydrophobicContact CD2-SD 3.59Å; L220-M247 VanDerWaalsContact CD2-SD 3.59Å; L220-M247 HydrophobicContact CG-SD 4.11Å; D222-M247 HydrophobicContact CB-CE 3.76Å; V228-M247 HydrophobicContact CG1-SD 4.48Å; V228-M247 HydrophobicContact CG2-CE 3.9Å; K243-M247 WeakPolarHBondContact O-CG 3.45Å; K243-M247 PolarHBondContact O-N 3.49Å; K243-M247 VanDerWaalsContact O-N 3.13Å; I244-M247 PolarHBondContact O-N 3.37Å; M247-R249 VanDerWaalsContact C-N 3.34Å; M247-R249 PolarHBondContact O-N 3.48Å; M247-Q250 PolarHBondContact O-N 2.91Å; M247-I251 WeakPolarHBondContact O-CG1 3.46Å; M247-I251 PolarHBondContact O-N 3.45Å
248	V	97.8	Very high	95.8	Very high	5 Å²	5	82.2 Å²	82.2	3%	0.03	39%	0.387	C	S	.	.	H	α-helix	trans	-60.7	-44	175.7	163.1	0	0	0	0	111.2	V119 F146 F149 F151 I244 A245 D246 Q250 I251 I252	V119-V248 HydrophobicContact CB-CG2 4.48Å; V119-V248 HydrophobicContact CG2-CG2 4.15Å; F146-V248 HydrophobicContact CB-CG2 4.37Å; F146-V248 HydrophobicContact CD1-CG1 4.39Å; F149-V248 HydrophobicContact CB-CG1 3.69Å; F149-V248 WeakPolarHBondContact O-CG1 3.34Å; F151-V248 HydrophobicContact CB-CG2 3.98Å; I244-V248 HydrophobicContact CG2-CG2 4.28Å; I244-V248 WeakPolarHBondContact O-CB 3.29Å; I244-V248 WeakPolarHBondContact O-CG2 3.34Å; I244-V248 PolarHBondContact O-N 2.83Å; A245-V248 PolarHBondContact O-N 3.33Å; D246-V248 PolarHBondContact O-N 3.29Å; V248-Q250 VanDerWaalsContact C-N 3.31Å; V248-Q250 PolarHBondContact O-N 3.43Å; V248-I251 WeakPolarHBondContact O-CB 3.3Å; V248-I251 PolarHBondContact O-N 2.95Å; V248-I251 VanDerWaalsContact O-N 3.15Å; V248-I252 HydrophobicContact CG1-CD1 4.29Å; V248-I252 PolarHBondContact O-N 2.85Å
249	R	97.2	Very high	94.7	Very high	155 Å²	155	87.8 Å²	87.8	59%	0.585	42%	0.417	S	S	*	.	H	α-helix	trans	-59.4	-41.6	177	-178.3	-179.5	180	-179.6	0.7	111.8	A245 D246 M247 I251 I252 L253	A245-R249 VanDerWaalsContact O-CB 3.26Å; A245-R249 WeakPolarHBondContact O-CB 3.35Å; A245-R249 PolarHBondContact O-N 2.95Å; D246-R249 WeakPolarHBondContact O-CB 3.5Å; D246-R249 PolarHBondContact O-N 2.6Å; M247-R249 VanDerWaalsContact C-N 3.34Å; M247-R249 PolarHBondContact O-N 3.48Å; R249-I251 VanDerWaalsContact C-N 3.28Å; R249-I251 PolarHBondContact O-N 3.12Å; R249-I252 PolarHBondContact O-N 2.77Å; R249-L253 HydrophobicContact CG-CD1 4.13Å; R249-L253 HydrophobicContact CG-CG 4.4Å; R249-L253 WeakPolarHBondContact O-CG 3.21Å; R249-L253 PolarHBondContact O-N 3.22Å
250	Q	96.4	Very high	94.5	Very high	118 Å²	118	85.3 Å²	85.3	55%	0.551	41%	0.406	S	S	*	.	H	α-helix	trans	-62	-35.9	177.5	-65.3	-50.9	-34.9	0	0	112.4	D246 M247 V248 L253 K254	D246-Q250 WeakPolarHBondContact O-CG 3.48Å; D246-Q250 PolarHBondContact O-N 3.23Å; M247-Q250 PolarHBondContact O-N 2.91Å; V248-Q250 VanDerWaalsContact C-N 3.31Å; V248-Q250 PolarHBondContact O-N 3.43Å; Q250-L253 PolarHBondContact O-N 3.07Å; Q250-K254 WeakPolarHBondContact O-CB 3.43Å; Q250-K254 PolarHBondContact O-N 3.01Å
251	I	95.5	Very high	94.4	Very high	21 Å²	21	89.6 Å²	89.6	11%	0.108	43%	0.427	C	S	.	.	H	α-helix	trans	-62.2	-45.6	175.3	-60	168.2	0	0	0	110.5	V119 H150 V223 M247 V248 R249 K255	V119-I251 HydrophobicContact CG2-CD1 3.71Å; H150-I251 HydrophobicContact CB-CD1 4.06Å; H150-I251 HydrophobicContact CB-CG2 4.16Å; V223-I251 HydrophobicContact CG1-CD1 3.29Å; V223-I251 HydrophobicContact CG1-CG1 3.71Å; M247-I251 WeakPolarHBondContact O-CG1 3.46Å; M247-I251 PolarHBondContact O-N 3.45Å; V248-I251 WeakPolarHBondContact O-CB 3.3Å; V248-I251 PolarHBondContact O-N 2.95Å; V248-I251 VanDerWaalsContact O-N 3.15Å; R249-I251 VanDerWaalsContact C-N 3.28Å; R249-I251 PolarHBondContact O-N 3.12Å; I251-K255 HydrophobicContact CG2-CD 4.44Å; I251-K255 WeakPolarHBondContact O-CG 3.05Å; I251-K255 PolarHBondContact O-N 2.92Å
252	I	93.6	Very high	94.1	Very high	78 Å²	78	90.3 Å²	90.3	40%	0.4	43%	0.434	S	S	.	.	H	α-helix	trans	-63.8	-44.3	-179.7	-61.9	169.1	0	0	0	110.7	F149 V248 R249 K255 K256	F149-I252 HydrophobicContact CB-CD1 4.24Å; F149-I252 HydrophobicContact CD1-CD1 4.11Å; F149-I252 HydrophobicContact CG-CD1 4.44Å; V248-I252 HydrophobicContact CG1-CD1 4.29Å; V248-I252 PolarHBondContact O-N 2.85Å; R249-I252 PolarHBondContact O-N 2.77Å; I252-K255 PolarHBondContact O-N 3.18Å; I252-K256 PolarHBondContact O-N 3.08Å
253	L	94.7	Very high	93.9	Very high	66 Å²	66	91.3 Å²	91.3	35%	0.346	43%	0.431	S	S	.	.	H	α-helix	trans	-63.4	-48.3	179.5	-69.2	175.2	0	0	0	111.5	R249 Q250 K255 K256 E257	R249-L253 HydrophobicContact CG-CD1 4.13Å; R249-L253 HydrophobicContact CG-CG 4.4Å; R249-L253 WeakPolarHBondContact O-CG 3.21Å; R249-L253 PolarHBondContact O-N 3.22Å; Q250-L253 PolarHBondContact O-N 3.07Å; L253-K255 VanDerWaalsContact C-N 3.32Å; L253-K255 PolarHBondContact O-N 3.28Å; L253-K256 WeakPolarHBondContact O-CB 3.45Å; L253-K256 PolarHBondContact O-N 3.28Å; L253-E257 PolarHBondContact O-N 2.96Å; L253-E257 VanDerWaalsContact O-N 3.08Å
254	K	93.1	Very high	93.6	Very high	129 Å²	129	92.3 Å²	92.3	56%	0.561	44%	0.438	S	S	*	.	H	α-helix	trans	-57.7	-44.8	177.5	-175.8	178.2	176.7	-177.7	0	112	Q250 K256 E257 E258	Q250-K254 WeakPolarHBondContact O-CB 3.43Å; Q250-K254 PolarHBondContact O-N 3.01Å; K254-K256 VanDerWaalsContact C-N 3.26Å; K254-K256 PolarHBondContact O-N 2.93Å; K254-E257 PolarHBondContact O-N 3.2Å; K254-E258 WeakPolarHBondContact CE-OE1 3.13Å; K254-E258 WeakPolarHBondContact O-CG 3.45Å; K254-E258 PolarHBondContact O-N 2.81Å
255	K	90.1	Very high	93.3	Very high	91 Å²	91	98.5 Å²	98.5	40%	0.396	47%	0.467	S	S	.	.	H	α-helix	trans	-63.9	-30.7	176.3	-76.4	-172.5	174.5	-168.5	0	113.5	H150 I251 I252 L253 L259	H150-K255 PolarHBondContact CE1-NZ 3.42Å; H150-K255 PolarHBondContact NE2-NZ 3.33Å; I251-K255 HydrophobicContact CG2-CD 4.44Å; I251-K255 WeakPolarHBondContact O-CG 3.05Å; I251-K255 PolarHBondContact O-N 2.92Å; I252-K255 PolarHBondContact O-N 3.18Å; L253-K255 VanDerWaalsContact C-N 3.32Å; L253-K255 PolarHBondContact O-N 3.28Å; K255-L259 WeakPolarHBondContact O-CD1 3.17Å; K255-L259 WeakPolarHBondContact O-CG 3.41Å
256	K	91.1	Very high	92.9	Very high	154 Å²	154	103.7 Å²	103.7	67%	0.67	49%	0.486	S	S	*	.	H	α-helix	trans	-72.7	-31.7	176.4	-173.1	-178.9	175.9	-174.8	0	112	I252 L253 K254 E258	I252-K256 PolarHBondContact O-N 3.08Å; L253-K256 WeakPolarHBondContact O-CB 3.45Å; L253-K256 PolarHBondContact O-N 3.28Å; K254-K256 VanDerWaalsContact C-N 3.26Å; K254-K256 PolarHBondContact O-N 2.93Å; K256-E258 VanDerWaalsContact C-N 3.35Å
257	E	91.9	Very high	92.5	Very high	160 Å²	160	104.5 Å²	104.5	75%	0.748	49%	0.485	S	S	*	.	H	α-helix	trans	-74.7	-25.6	176.8	-69	171.8	-179.6	0	0	112.8	L253 K254	L253-E257 PolarHBondContact O-N 2.96Å; L253-E257 VanDerWaalsContact O-N 3.08Å; K254-E257 PolarHBondContact O-N 3.2Å
258	E	88.4	Confident	92	Very high	137 Å²	137	109.9 Å²	109.9	64%	0.64	51%	0.509	S	S	*	.			trans	-82.6	-8.3	178.2	-69.7	171.9	-178.9	0	0	113.9	K254 K256	K254-E258 WeakPolarHBondContact CE-OE1 3.13Å; K254-E258 WeakPolarHBondContact O-CG 3.45Å; K254-E258 PolarHBondContact O-N 2.81Å; K256-E258 VanDerWaalsContact C-N 3.35Å
259	L	74.3	Confident	91.5	Very high	205 Å²	205	119.5 Å²	119.5	100%	1.073	55%	0.552	S	S	*	*			trans	-101.3	0	-179	-72.5	169.9	0	0	0	112	K255	K255-L259 WeakPolarHBondContact O-CD1 3.17Å; K255-L259 WeakPolarHBondContact O-CG 3.41Å

Retrieved 259 of 259 residues in 336.4 ms (Link to these results)

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