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Sperm acrosome membrane-associated protein 3

Sperm surface membrane protein that may be involved in sperm-egg plasma membrane adhesion and fusion during fertilization. It could be a potential receptor for the egg oligosaccharide residue N-acetylglucosamine, which is present in the extracellular matrix over the egg plasma membrane. The processed form has no detectable bacteriolytic activity in vitro.

AlphaFold DB , UniProt , Accession Q8IXA5, Species HUMAN (Homo sapiens, Human), Gene SPACA3, Length 215 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	44.8	Very low	46.6	Very low	244 Å²	244	149.1 Å²	149.1	100%	1.202	87%	0.871	S	S	*	*				0	104.7	0	-76.3	172.7	173.1	0	0	106.9
2	V	37.2	Very low	46.4	Very low	151 Å²	151	154.7 Å²	154.7	92%	0.915	87%	0.867	S	S	*	*			trans	-103.4	111.9	-176.9	-179.6	0	0	0	0	106.6
3	S	44.1	Very low	46.8	Very low	121 Å²	121	151.8 Å²	151.8	85%	0.846	86%	0.855	S	S	*	*			trans	-133.7	99.4	175.1	-91.4	0	0	0	0	110.9
4	A	44.5	Very low	46.8	Very low	86 Å²	86	152.4 Å²	152.4	71%	0.711	85%	0.847	S	S	*	*			trans	38.6	101.1	137.6	0	0	0	0	0	118.9	R6	A4-R6 PolarHBondContact O-N 2.76Å
5	L	48.4	Very low	47.2	Very low	180 Å²	180	149.7 Å²	149.7	94%	0.942	84%	0.842	S	S	*	*			trans	-69.2	109.9	153.2	-69.7	165.7	0	0	0	108.9
6	R	51.4	Low	47.4	Very low	238 Å²	238	146.9 Å²	146.9	90%	0.898	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-92.3	125	165.4	-84.5	-175.9	173.2	-159.9	-1.2	108.6	A4	A4-R6 PolarHBondContact O-N 2.76Å
7	G	43	Very low	47.5	Very low	80 Å²	80	145 Å²	145	83%	0.825	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-57.7	138.8	-172.9	0	0	0	0	0	114.6
8	A	52.4	Low	47.7	Very low	96 Å²	96	144.6 Å²	144.6	79%	0.793	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-77	145.8	165.8	0	0	0	0	0	110.4
9	P	47.2	Very low	47.7	Very low	115 Å²	115	142.9 Å²	142.9	75%	0.747	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-75.4	136.1	-179.7	30.8	-31.7	0	0	0	110.8	I11	P9-I11 PolarHBondContact O-N 3.03Å; P9-I11 VanDerWaalsContact O-N 3.17Å
10	L	45.9	Very low	47.6	Very low	180 Å²	180	141 Å²	141	94%	0.942	82%	0.823	S	S	*	*			trans	-65.5	108	169.6	-76.2	167	0	0	0	109.6	R12	L10-R12 PolarHBondContact O-N 3.5Å
11	I	53.6	Low	47.5	Very low	149 Å²	149	139.8 Å²	139.8	76%	0.764	82%	0.82	S	S	*	*			trans	-77	108.1	166.7	-60.6	-179.5	0	0	0	107.4	P9 V13	P9-I11 PolarHBondContact O-N 3.03Å; P9-I11 VanDerWaalsContact O-N 3.17Å; I11-V13 PolarHBondContact O-N 3.29Å
12	R	43.8	Very low	47.4	Very low	216 Å²	216	133.7 Å²	133.7	82%	0.815	80%	0.801	S	S	*	*			trans	-76.6	96.2	175.2	-173.1	-173.8	-91.5	165.3	-8.5	108.6	L10 H14	L10-R12 PolarHBondContact O-N 3.5Å; R12-H14 PolarHBondContact O-N 2.87Å
13	V	52.4	Low	47.8	Very low	118 Å²	118	132.9 Å²	132.9	72%	0.715	80%	0.796	S	S	*	*			trans	-69.4	111.3	171.1	-176.9	0	0	0	0	108.5	I11 S15	I11-V13 PolarHBondContact O-N 3.29Å; V13-S15 PolarHBondContact O-N 3.26Å
14	H	46.2	Very low	47.9	Very low	159 Å²	159	132.9 Å²	132.9	74%	0.736	80%	0.797	S	S	*	*			trans	-71.4	106.5	170.4	-95.8	23.5	0	0	0	109.1	R12 S16	R12-H14 PolarHBondContact O-N 2.87Å; H14-S16 PolarHBondContact O-N 3.35Å
15	S	53.1	Low	47.7	Very low	112 Å²	112	131.2 Å²	131.2	78%	0.783	79%	0.788	S	S	*	*			trans	-79.2	106.1	166.5	-58.7	0	0	0	0	108.1	V13	V13-S15 PolarHBondContact O-N 3.26Å
16	S	51	Low	47.5	Very low	105 Å²	105	128.3 Å²	128.3	73%	0.734	78%	0.78	S	S	*	*			trans	-66.4	138.7	168.4	-67.2	0	0	0	0	109.5	H14 V18	H14-S16 PolarHBondContact O-N 3.35Å; S16-V18 PolarHBondContact O-N 3.23Å
17	P	49	Very low	47.2	Very low	115 Å²	115	128.8 Å²	128.8	75%	0.747	78%	0.781	S	S	*	*			trans	-67.4	126.9	176.9	26.9	-30.9	0	0	0	109.8	S19	P17-S19 PolarHBondContact O-N 3.39Å
18	V	50.9	Low	47.1	Very low	138 Å²	138	135.6 Å²	135.6	84%	0.836	78%	0.782	S	S	*	*			trans	-66.6	104.4	172.2	174.8	0	0	0	0	108.4	S16 S20	S16-V18 PolarHBondContact O-N 3.23Å; V18-S20 PolarHBondContact O-N 3.12Å
19	S	46.6	Very low	46.8	Very low	113 Å²	113	138.8 Å²	138.8	79%	0.79	79%	0.785	S	S	*	*			trans	-68.1	111.3	168.7	-61	0	0	0	0	109	P17	P17-S19 PolarHBondContact O-N 3.39Å
20	S	46.7	Very low	46.8	Very low	103 Å²	103	139.5 Å²	139.5	72%	0.72	79%	0.787	S	S	*	*			trans	-60.1	141.1	173.1	-65.4	0	0	0	0	111	V18 S22	V18-S20 PolarHBondContact O-N 3.12Å; S20-S22 PolarHBondContact O-N 3.11Å
21	P	45.9	Very low	46.7	Very low	117 Å²	117	135.3 Å²	135.3	76%	0.76	77%	0.773	S	S	*	*			trans	-68.7	122.2	175.4	27.7	-31.1	0	0	0	109.5	V23	P21-V23 PolarHBondContact O-N 2.98Å
22	S	42	Very low	46.4	Very low	115 Å²	115	132.6 Å²	132.6	80%	0.804	77%	0.766	S	S	*	*			trans	-67.8	99.3	169	-65.1	0	0	0	0	109	S20 S24	S20-S22 PolarHBondContact O-N 3.11Å; S22-S24 VanDerWaalsContact C-N 3.33Å; S22-S24 PolarHBondContact O-N 3.3Å
23	V	46.2	Very low	46.5	Very low	134 Å²	134	130 Å²	130	81%	0.812	77%	0.767	S	S	*	*			trans	-71.7	90.8	169.9	177.5	0	0	0	0	108.5	P21 G25	P21-V23 PolarHBondContact O-N 2.98Å; V23-G25 VanDerWaalsContact C-N 3.32Å; V23-G25 PolarHBondContact O-N 3.41Å
24	S	44.8	Very low	46.2	Very low	122 Å²	122	129.6 Å²	129.6	85%	0.853	77%	0.77	S	S	*	*			trans	-82.1	79.8	163.1	-81.3	0	0	0	0	109.2	S22	S22-S24 VanDerWaalsContact C-N 3.33Å; S22-S24 PolarHBondContact O-N 3.3Å
25	G	41.8	Very low	45.9	Very low	51 Å²	51	127.8 Å²	127.8	53%	0.526	78%	0.775	S	S	.	*			trans	-79	148.3	166.5	0	0	0	0	0	111.3	V23 R27	V23-G25 VanDerWaalsContact C-N 3.32Å; V23-G25 PolarHBondContact O-N 3.41Å; G25-R27 PolarHBondContact O-N 3.48Å
26	P	44.5	Very low	45.6	Very low	119 Å²	119	131.1 Å²	131.1	77%	0.773	78%	0.778	S	S	*	*			trans	-68.7	130.3	-168.7	27.7	-32.9	0	0	0	111.6	R28	P26-R28 VanDerWaalsContact C-N 3.28Å; P26-R28 PolarHBondContact O-N 3.22Å
27	R	43.2	Very low	45.2	Very low	247 Å²	247	131.8 Å²	131.8	93%	0.932	78%	0.783	S	S	*	*			trans	-61.9	86.5	165.9	-75.3	-178	174.4	-175.2	-0.1	109.5	G25	G25-R27 PolarHBondContact O-N 3.48Å
28	R	42.6	Very low	44.6	Very low	224 Å²	224	132.1 Å²	132.1	85%	0.845	79%	0.788	S	S	*	*			trans	-90	99.1	155.2	-77.6	-171.1	-170.7	-122.4	2.6	107.8	P26 V30	P26-R28 VanDerWaalsContact C-N 3.28Å; P26-R28 PolarHBondContact O-N 3.22Å; R28-V30 PolarHBondContact O-N 3.41Å
29	L	46.4	Very low	44.3	Very low	162 Å²	162	129.9 Å²	129.9	85%	0.848	78%	0.784	S	S	*	*			trans	-56.2	106.1	162.4	-87.9	143.6	0	0	0	108.1	S31	L29-S31 VanDerWaalsContact C-N 3.26Å; L29-S31 PolarHBondContact O-N 2.65Å; L29-S31 VanDerWaalsContact O-N 3.08Å
30	V	46.6	Very low	44	Very low	131 Å²	131	132.6 Å²	132.6	79%	0.794	79%	0.789	S	S	*	*			trans	-77.4	86.4	163	-175.9	0	0	0	0	106.2	R28 C32	R28-V30 PolarHBondContact O-N 3.41Å; V30-C32 PolarHBondContact O-N 2.98Å
31	S	44	Very low	43.8	Very low	92 Å²	92	132.6 Å²	132.6	64%	0.643	79%	0.789	S	S	*	*			trans	-72.8	109	165	47.4	0	0	0	0	107.9	L29 L33	L29-S31 VanDerWaalsContact C-N 3.26Å; L29-S31 PolarHBondContact O-N 2.65Å; L29-S31 VanDerWaalsContact O-N 3.08Å; S31-L33 PolarHBondContact O-N 3.23Å
32	C	47.3	Very low	43.7	Very low	91 Å²	91	135.7 Å²	135.7	62%	0.615	79%	0.793	S	S	*	*			trans	-63.6	116.2	165.8	-67.1	0	0	0	0	107.7	V30 S34	V30-C32 PolarHBondContact O-N 2.98Å; C32-S34 PolarHBondContact O-N 2.05Å
33	L	45.1	Very low	43.7	Very low	162 Å²	162	136.1 Å²	136.1	85%	0.848	80%	0.796	S	S	*	*			trans	-65.3	117.8	169.9	-84.6	97.4	0	0	0	108.7	S31 S35	S31-L33 PolarHBondContact O-N 3.23Å; L33-S35 PolarHBondContact O-N 3.19Å
34	S	47	Very low	43.5	Very low	109 Å²	109	133.4 Å²	133.4	76%	0.762	80%	0.795	S	S	*	*			trans	-74.4	106.7	160.4	-58.3	0	0	0	0	107.8	C32 Q36	C32-S34 PolarHBondContact O-N 2.05Å; S34-Q36 PolarHBondContact O-N 3.41Å
35	S	38.3	Very low	43.4	Very low	121 Å²	121	131.9 Å²	131.9	85%	0.846	80%	0.799	S	S	*	*			trans	-60.4	113.8	162.5	-62.2	0	0	0	0	108.6	L33	L33-S35 PolarHBondContact O-N 3.19Å
36	Q	47.4	Very low	43.3	Very low	182 Å²	182	133.2 Å²	133.2	85%	0.85	81%	0.812	S	S	*	*			trans	-114.2	125.9	159.9	-78.3	-167.9	16.8	0	0	109.1	S34	S34-Q36 PolarHBondContact O-N 3.41Å
37	S	42.4	Very low	43.5	Very low	119 Å²	119	133 Å²	133	83%	0.832	81%	0.814	S	S	*	*			trans	-59.9	146.6	-179.6	-58.1	0	0	0	0	112.9
38	S	36	Very low	43.4	Very low	123 Å²	123	127.8 Å²	127.8	86%	0.86	81%	0.809	S	S	*	*			trans	-57.5	132.8	169.2	22.5	0	0	0	0	113.3
39	A	45.5	Very low	43.7	Very low	91 Å²	91	122.5 Å²	122.5	75%	0.752	81%	0.807	S	S	*	*			trans	-149.8	108.7	159.2	0	0	0	0	0	111.4
40	L	40.5	Very low	43.7	Very low	170 Å²	170	120.2 Å²	120.2	89%	0.89	81%	0.812	S	S	*	*			trans	45.2	108.2	139.6	-72.4	139.8	0	0	0	121.3
41	S	41.5	Very low	43.9	Very low	102 Å²	102	118.5 Å²	118.5	71%	0.713	81%	0.811	S	S	*	*			trans	-0.6	123.7	131.6	-165.7	0	0	0	0	118.5
42	Q	44.7	Very low	43.9	Very low	183 Å²	183	117.9 Å²	117.9	86%	0.855	82%	0.819	S	S	*	*				179.1	147.3	103.1	-92.7	-176.6	48.9	0	0	111.3
43	S	41.9	Very low	44.2	Very low	123 Å²	123	121.8 Å²	121.8	86%	0.86	83%	0.832	S	S	*	*			trans	-66.8	142.3	-177.5	49.1	0	0	0	0	114.7
44	G	42.2	Very low	44.4	Very low	78 Å²	78	122.2 Å²	122.2	80%	0.804	83%	0.83	S	S	*	*			trans	-166.9	112.8	163.7	0	0	0	0	0	110.4
45	G	43.1	Very low	44.6	Very low	90 Å²	90	121.5 Å²	121.5	93%	0.928	83%	0.83	S	S	*	*			trans	-72.2	153.4	178.2	0	0	0	0	0	112.8
46	G	40.2	Very low	45.4	Very low	78 Å²	78	125.4 Å²	125.4	80%	0.804	83%	0.827	S	S	*	*			trans	178.4	109.3	174.4	0	0	0	0	0	110.9
47	S	48	Very low	45.8	Very low	115 Å²	115	122.5 Å²	122.5	80%	0.804	83%	0.827	S	S	*	*			trans	-69.6	139.6	-175.7	-57.9	0	0	0	0	113.8
48	T	41.7	Very low	46.4	Very low	137 Å²	137	127 Å²	127	84%	0.84	83%	0.825	S	S	*	*			trans	34	112.9	143.8	61	0	0	0	0	119.8
49	S	48.9	Very low	47.4	Very low	114 Å²	114	125.7 Å²	125.7	80%	0.797	82%	0.822	S	S	*	*			trans	-148.4	125.2	134.1	62.9	0	0	0	0	110	A51	S49-A51 PolarHBondContact O-N 2.84Å
50	A	44.5	Very low	48.2	Very low	114 Å²	114	128.9 Å²	128.9	94%	0.942	83%	0.825	S	S	*	*			trans	-66.4	123.5	176.5	0	0	0	0	0	110.7
51	A	52.2	Low	49.2	Very low	94 Å²	94	131.7 Å²	131.7	78%	0.777	82%	0.824	S	S	*	*			trans	-146.7	118.8	169.8	0	0	0	0	0	110.6	S49	S49-A51 PolarHBondContact O-N 2.84Å
52	G	44.4	Very low	50.3	Low	80 Å²	80	137.4 Å²	137.4	83%	0.825	83%	0.83	S	S	*	*			trans	72.4	90.3	145.2	0	0	0	0	0	118.3	E54	G52-E54 PolarHBondContact O-N 2.97Å
53	I	51.8	Low	51.5	Low	172 Å²	172	139.6 Å²	139.6	88%	0.882	83%	0.83	S	S	*	*			trans	-77.7	97.8	154.7	-62.4	175.3	0	0	0	107.4
54	E	49.7	Very low	52.8	Low	171 Å²	171	141.1 Å²	141.1	80%	0.799	82%	0.818	S	S	*	*			trans	-105.4	97.5	159.7	-121.4	-171.7	-176.7	0	0	108	G52 R56	G52-E54 PolarHBondContact O-N 2.97Å; E54-R56 PolarHBondContact O-N 3Å
55	A	51.6	Low	54.5	Low	94 Å²	94	140.7 Å²	140.7	78%	0.777	80%	0.801	S	S	*	*			trans	-73.1	90.1	177.3	0	0	0	0	0	110.1	S57	A55-S57 PolarHBondContact O-N 3.36Å
56	R	55.5	Low	56.4	Low	204 Å²	204	141.4 Å²	141.4	77%	0.77	79%	0.789	S	S	*	*			trans	-70.1	107.4	167.4	-81.9	-178.3	167.2	-173.5	-4.8	110.1	E54 R58	E54-R56 PolarHBondContact O-N 3Å; R56-R58 VanDerWaalsContact C-N 3.3Å; R56-R58 PolarHBondContact O-N 2.86Å
57	S	55.7	Low	58.6	Low	121 Å²	121	141.1 Å²	141.1	85%	0.846	78%	0.78	S	S	*	*			trans	-62	82.3	167.4	47.3	0	0	0	0	111.3	A55 A59	A55-S57 PolarHBondContact O-N 3.36Å; S57-A59 PolarHBondContact O-N 3.39Å; S57-A59 VanDerWaalsContact O-N 3.08Å
58	R	56.1	Low	60.4	Low	214 Å²	214	137 Å²	137	81%	0.808	76%	0.755	S	S	*	*			trans	-75.8	96.5	163.3	-67.3	-174.3	-156	155.4	7.6	107.7	R56 L60	R56-R58 VanDerWaalsContact C-N 3.3Å; R56-R58 PolarHBondContact O-N 2.86Å; R58-L60 VanDerWaalsContact C-N 3.33Å; R58-L60 PolarHBondContact O-N 2.83Å
59	A	56.2	Low	62.6	Low	95 Å²	95	134.9 Å²	134.9	79%	0.785	74%	0.738	S	S	*	*			trans	-51.5	102.4	162.4	0	0	0	0	0	108	S57 R61	S57-A59 PolarHBondContact O-N 3.39Å; S57-A59 VanDerWaalsContact O-N 3.08Å; A59-R61 PolarHBondContact O-N 3.4Å
60	L	61.4	Low	64.6	Low	158 Å²	158	135.8 Å²	135.8	83%	0.827	73%	0.731	S	S	*	*			trans	-65.9	86.6	170.2	-82.2	158.8	0	0	0	106.6	R58 R62	R58-L60 VanDerWaalsContact C-N 3.33Å; R58-L60 PolarHBondContact O-N 2.83Å; L60-R62 PolarHBondContact O-N 3.09Å
61	R	62.8	Low	66.8	Low	228 Å²	228	135.5 Å²	135.5	86%	0.86	71%	0.713	S	S	*	*			trans	-59.8	93.9	161.2	-169	-177.1	-99.4	-104	6.1	104.5	A59 R63	A59-R61 PolarHBondContact O-N 3.4Å; R61-R63 VanDerWaalsContact C-N 3.27Å; R61-R63 PolarHBondContact O-N 3.48Å
62	R	64.3	Low	68.7	Low	222 Å²	222	134.9 Å²	134.9	84%	0.838	70%	0.697	S	S	*	*			trans	-56.9	96.2	176.7	-73.2	-177.6	-163.9	-119.6	1	106.5	L60 W64	L60-R62 PolarHBondContact O-N 3.09Å; R62-W64 VanDerWaalsContact O-CD1 3.3Å; R62-W64 PolarHBondContact O-N 3.06Å
63	R	70.3	Confident	70.9	Confident	229 Å²	229	133 Å²	133	86%	0.864	67%	0.673	S	S	*	*			trans	-75.9	108.3	167.9	-103.7	171.5	157.6	-114.8	-0.2	105.1	R61 C65	R61-R63 VanDerWaalsContact C-N 3.27Å; R61-R63 PolarHBondContact O-N 3.48Å; R63-C65 PolarHBondContact O-N 3.24Å
64	W	68.1	Low	72.9	Confident	156 Å²	156	129.3 Å²	129.3	59%	0.591	66%	0.655	S	S	*	*			trans	-63.9	131.7	174.9	-69.2	51.2	0	0	0	107.3	R62 I69 L72	R62-W64 VanDerWaalsContact O-CD1 3.3Å; R62-W64 PolarHBondContact O-N 3.06Å; W64-I69 HydrophobicContact CB-CD1 4.12Å; W64-I69 HydrophobicContact CB-CG1 3.72Å; W64-L72 HydrophobicContact CE3-CD1 3.7Å; W64-L72 HydrophobicContact CE3-CG 4.32Å; W64-L72 HydrophobicContact CH2-CD1 3.55Å; W64-L72 HydrophobicContact CH2-CG 4.45Å; W64-L72 HydrophobicContact CZ3-CD1 3Å; W64-L72 HydrophobicContact CZ3-CD2 4.23Å; W64-L72 HydrophobicContact CZ3-CG 3.63Å
65	C	78.2	Confident	74.9	Confident	68 Å²	68	124.6 Å²	124.6	46%	0.459	64%	0.637	S	S	.	*			trans	-62.1	146.9	175	-71	0	0	0	0	109	R63 A67 G68 I69	R63-C65 PolarHBondContact O-N 3.24Å; C65-A67 PolarHBondContact O-N 2.9Å; C65-A67 VanDerWaalsContact O-N 3.12Å; C65-G68 WeakPolarHBondContact O-CA 3.4Å; C65-G68 PolarHBondContact O-N 3.15Å; C65-I69 PolarHBondContact O-N 3.4Å
66	P	84	Confident	76.7	Confident	105 Å²	105	123.6 Å²	123.6	68%	0.682	62%	0.624	S	S	*	*	H	α-helix	trans	-53.2	-36.5	177.8	19.3	-30.9	0	0	0	111.8	G68 I69 M70	P66-G68 PolarHBondContact O-N 3.1Å; P66-I69 PolarHBondContact O-N 3.01Å; P66-M70 WeakPolarHBondContact O-CB 3.32Å; P66-M70 VanDerWaalsContact O-CG 3.26Å; P66-M70 WeakPolarHBondContact O-CG 3.41Å; P66-M70 PolarHBondContact O-N 3.11Å
67	A	85.3	Confident	78.4	Confident	73 Å²	73	119.4 Å²	119.4	60%	0.603	62%	0.616	S	S	*	*	H	α-helix	trans	-61.8	-38.9	173.3	0	0	0	0	0	113.8	C65 M70 L71	C65-A67 PolarHBondContact O-N 2.9Å; C65-A67 VanDerWaalsContact O-N 3.12Å; A67-M70 PolarHBondContact O-N 2.67Å; A67-L71 WeakPolarHBondContact O-CB 3.25Å; A67-L71 PolarHBondContact O-N 3.09Å
68	G	85.7	Confident	80	Confident	28 Å²	28	118.4 Å²	118.4	29%	0.289	60%	0.601	S	S	.	*	H	α-helix	trans	-69.3	-36.7	176.4	0	0	0	0	0	112.4	C65 P66 L72	C65-G68 WeakPolarHBondContact O-CA 3.4Å; C65-G68 PolarHBondContact O-N 3.15Å; P66-G68 PolarHBondContact O-N 3.1Å; G68-L72 PolarHBondContact O-N 3.16Å
69	I	88.3	Confident	81.4	Confident	92 Å²	92	111.5 Å²	111.5	47%	0.472	59%	0.585	S	S	.	*	H	α-helix	trans	-66.2	-44	173.3	-59.7	171.7	0	0	0	110.1	W64 C65 P66 L71 L72 A73	W64-I69 HydrophobicContact CB-CD1 4.12Å; W64-I69 HydrophobicContact CB-CG1 3.72Å; C65-I69 PolarHBondContact O-N 3.4Å; P66-I69 PolarHBondContact O-N 3.01Å; I69-L71 PolarHBondContact O-N 3.14Å; I69-L72 PolarHBondContact O-N 2.87Å; I69-A73 WeakPolarHBondContact O-CB 3.42Å; I69-A73 PolarHBondContact O-N 2.87Å
70	M	90	Very high	82.7	Confident	133 Å²	133	112.2 Å²	112.2	66%	0.655	58%	0.584	S	S	*	*	H	α-helix	trans	-63.6	-40	177.3	-71.1	-58.7	-66.3	0	0	112.4	P66 A67 A73 L74	P66-M70 WeakPolarHBondContact O-CB 3.32Å; P66-M70 VanDerWaalsContact O-CG 3.26Å; P66-M70 WeakPolarHBondContact O-CG 3.41Å; P66-M70 PolarHBondContact O-N 3.11Å; A67-M70 PolarHBondContact O-N 2.67Å; M70-A73 PolarHBondContact O-N 3.29Å; M70-L74 WeakPolarHBondContact O-CB 3.5Å; M70-L74 PolarHBondContact O-N 3.46Å
71	L	92.2	Very high	83.6	Confident	109 Å²	109	111.1 Å²	111.1	57%	0.571	58%	0.578	S	S	*	*	H	α-helix	trans	-64.9	-44.3	175.7	179.8	62.7	0	0	0	111.6	A67 I69 L74 V75	A67-L71 WeakPolarHBondContact O-CB 3.25Å; A67-L71 PolarHBondContact O-N 3.09Å; I69-L71 PolarHBondContact O-N 3.14Å; L71-L74 PolarHBondContact O-N 2.96Å; L71-V75 HydrophobicContact CD1-CG2 4.4Å; L71-V75 WeakPolarHBondContact O-CG2 3.26Å; L71-V75 PolarHBondContact O-N 2.83Å
72	L	91.9	Very high	84.2	Confident	81 Å²	81	106.4 Å²	106.4	42%	0.424	57%	0.569	S	S	.	*	H	α-helix	trans	-61.1	-45.1	173.5	-79.4	-165.9	0	0	0	111.8	W64 G68 I69 L74 V75 C76	W64-L72 HydrophobicContact CE3-CD1 3.7Å; W64-L72 HydrophobicContact CE3-CG 4.32Å; W64-L72 HydrophobicContact CH2-CD1 3.55Å; W64-L72 HydrophobicContact CH2-CG 4.45Å; W64-L72 HydrophobicContact CZ3-CD1 3Å; W64-L72 HydrophobicContact CZ3-CD2 4.23Å; W64-L72 HydrophobicContact CZ3-CG 3.63Å; G68-L72 PolarHBondContact O-N 3.16Å; I69-L72 PolarHBondContact O-N 2.87Å; L72-L74 VanDerWaalsContact C-N 3.29Å; L72-L74 PolarHBondContact O-N 3.43Å; L72-V75 PolarHBondContact O-N 2.75Å; L72-C76 WeakPolarHBondContact O-CB 3.48Å; L72-C76 PolarHBondContact O-N 3.11Å; L72-C76 PolarHBondContact O-SG 2.96Å
73	A	91.1	Very high	84.3	Confident	41 Å²	41	101.5 Å²	101.5	34%	0.339	57%	0.566	S	S	.	*	H	α-helix	trans	-59.5	-43.3	178.1	0	0	0	0	0	110.7	I69 M70 C76 L77	I69-A73 WeakPolarHBondContact O-CB 3.42Å; I69-A73 PolarHBondContact O-N 2.87Å; M70-A73 PolarHBondContact O-N 3.29Å; A73-C76 PolarHBondContact O-N 3.17Å; A73-L77 VanDerWaalsContact O-CB 3.3Å; A73-L77 WeakPolarHBondContact O-CB 3.48Å; A73-L77 WeakPolarHBondContact O-CD1 3.31Å; A73-L77 WeakPolarHBondContact O-CG 3.01Å; A73-L77 PolarHBondContact O-N 2.86Å
74	L	92.7	Very high	83.9	Confident	94 Å²	94	95 Å²	95	49%	0.492	56%	0.555	S	S	.	*	H	α-helix	trans	-62.8	-45.9	175.3	-179.1	64.7	0	0	0	112.2	M70 L71 L72 L77 L78	M70-L74 WeakPolarHBondContact O-CB 3.5Å; M70-L74 PolarHBondContact O-N 3.46Å; L71-L74 PolarHBondContact O-N 2.96Å; L72-L74 VanDerWaalsContact C-N 3.29Å; L72-L74 PolarHBondContact O-N 3.43Å; L74-L77 PolarHBondContact O-N 3.37Å; L74-L78 HydrophobicContact CD1-CD1 4.24Å; L74-L78 HydrophobicContact CD1-CG 4.39Å; L74-L78 HydrophobicContact CG-CD1 4.01Å; L74-L78 WeakPolarHBondContact O-CB 3.47Å; L74-L78 VanDerWaalsContact O-CG 3.28Å; L74-L78 WeakPolarHBondContact O-CG 3.37Å; L74-L78 PolarHBondContact O-N 3.28Å
75	V	91.5	Very high	83.7	Confident	71 Å²	71	92.7 Å²	92.7	43%	0.43	56%	0.563	S	S	.	*	H	α-helix	trans	-62.7	-45.9	177.1	170.8	0	0	0	0	110.7	L71 L72 L77 L78 S79	L71-V75 HydrophobicContact CD1-CG2 4.4Å; L71-V75 WeakPolarHBondContact O-CG2 3.26Å; L71-V75 PolarHBondContact O-N 2.83Å; L72-V75 PolarHBondContact O-N 2.75Å; V75-L77 PolarHBondContact O-N 3.1Å; V75-L78 PolarHBondContact O-N 2.87Å; V75-S79 WeakPolarHBondContact O-CB 3.08Å; V75-S79 PolarHBondContact O-N 3.29Å; V75-S79 PolarHBondContact O-OG 3.32Å; V75-S79 VanDerWaalsContact O-OG 3.04Å
76	C	90.3	Very high	83.2	Confident	74 Å²	74	96.1 Å²	96.1	50%	0.5	57%	0.572	S	S	.	*	H	α-helix	trans	-60.2	-44.5	175.6	-71.4	0	0	0	0	111.6	L72 A73 S79 C80	L72-C76 WeakPolarHBondContact O-CB 3.48Å; L72-C76 PolarHBondContact O-N 3.11Å; L72-C76 PolarHBondContact O-SG 2.96Å; A73-C76 PolarHBondContact O-N 3.17Å; C76-S79 PolarHBondContact O-N 3.24Å; C76-C80 WeakPolarHBondContact O-CB 3.41Å; C76-C80 PolarHBondContact O-N 3.2Å; C76-C80 PolarHBondContact O-SG 3.23Å
77	L	89.8	Confident	83	Confident	115 Å²	115	94.4 Å²	94.4	60%	0.602	57%	0.567	S	S	*	*	H	α-helix	trans	-61	-45.4	176	-74.8	168.2	0	0	0	111.3	A73 L74 V75 C80 L81	A73-L77 VanDerWaalsContact O-CB 3.3Å; A73-L77 WeakPolarHBondContact O-CB 3.48Å; A73-L77 WeakPolarHBondContact O-CD1 3.31Å; A73-L77 WeakPolarHBondContact O-CG 3.01Å; A73-L77 PolarHBondContact O-N 2.86Å; L74-L77 PolarHBondContact O-N 3.37Å; V75-L77 PolarHBondContact O-N 3.1Å; L77-C80 PolarHBondContact O-N 2.94Å; L77-L81 WeakPolarHBondContact O-CG 3.16Å; L77-L81 PolarHBondContact O-N 2.63Å
78	L	89.7	Confident	83.4	Confident	100 Å²	100	93.8 Å²	93.8	52%	0.524	55%	0.551	S	S	.	*	H	α-helix	trans	-64.1	-41.7	176.5	-72.7	167	0	0	0	112.1	L74 V75 C80 L81	L74-L78 HydrophobicContact CD1-CD1 4.24Å; L74-L78 HydrophobicContact CD1-CG 4.39Å; L74-L78 HydrophobicContact CG-CD1 4.01Å; L74-L78 WeakPolarHBondContact O-CB 3.47Å; L74-L78 VanDerWaalsContact O-CG 3.28Å; L74-L78 WeakPolarHBondContact O-CG 3.37Å; L74-L78 PolarHBondContact O-N 3.28Å; V75-L78 PolarHBondContact O-N 2.87Å; L78-C80 VanDerWaalsContact C-N 3.34Å; L78-C80 PolarHBondContact O-N 3.34Å; L78-L81 PolarHBondContact O-N 2.84Å
79	S	86.3	Confident	83.9	Confident	69 Å²	69	98.1 Å²	98.1	48%	0.483	57%	0.567	S	S	.	*	H	α-helix	trans	-64.3	-37.2	175.7	-63.3	0	0	0	0	112.3	V75 C76 L81 L82	V75-S79 WeakPolarHBondContact O-CB 3.08Å; V75-S79 PolarHBondContact O-N 3.29Å; V75-S79 PolarHBondContact O-OG 3.32Å; V75-S79 VanDerWaalsContact O-OG 3.04Å; C76-S79 PolarHBondContact O-N 3.24Å; S79-L81 PolarHBondContact O-N 2.83Å; S79-L82 PolarHBondContact O-N 3.44Å
80	C	82.3	Confident	84.4	Confident	111 Å²	111	94.5 Å²	94.5	75%	0.75	55%	0.547	S	S	*	.	H	α-helix	trans	-68.6	-16.5	175.6	-73.2	0	0	0	0	113.8	C76 L77 L78	C76-C80 WeakPolarHBondContact O-CB 3.41Å; C76-C80 PolarHBondContact O-N 3.2Å; C76-C80 PolarHBondContact O-SG 3.23Å; L77-C80 PolarHBondContact O-N 2.94Å; L78-C80 VanDerWaalsContact C-N 3.34Å; L78-C80 PolarHBondContact O-N 3.34Å
81	L	81.6	Confident	84.7	Confident	135 Å²	135	89.9 Å²	89.9	71%	0.707	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.2	175.6	-67.9	169.6	0	0	0	113	L77 L78 S79 P83	L77-L81 WeakPolarHBondContact O-CG 3.16Å; L77-L81 PolarHBondContact O-N 2.63Å; L78-L81 PolarHBondContact O-N 2.84Å; S79-L81 PolarHBondContact O-N 2.83Å; L81-P83 WeakPolarHBondContact O-CD 3.43Å
82	L	74.3	Confident	85	Confident	128 Å²	128	88.8 Å²	88.8	67%	0.67	52%	0.522	S	S	*	.	S	Bend	trans	-75.6	121.6	176.6	-63.2	176.5	0	0	0	109.1	S79 S84	S79-L82 PolarHBondContact O-N 3.44Å; L82-S84 PolarHBondContact O-N 3.16Å
83	P	67.4	Low	85.3	Confident	119 Å²	119	86.4 Å²	86.4	77%	0.773	51%	0.512	S	S	*	.			trans	-60.3	126.2	173.9	23.6	-30.7	0	0	0	108.9	L81 S85	L81-P83 WeakPolarHBondContact O-CD 3.43Å; P83-S85 PolarHBondContact O-N 3.36Å
84	S	62	Low	85.7	Confident	93 Å²	93	88.1 Å²	88.1	65%	0.65	51%	0.513	S	S	*	.			trans	-63.4	105.8	167.9	52.4	0	0	0	0	107.6	L82 E86	L82-S84 PolarHBondContact O-N 3.16Å; S84-E86 PolarHBondContact O-N 3.1Å
85	S	63.9	Low	85.9	Confident	108 Å²	108	83.7 Å²	83.7	76%	0.755	49%	0.49	S	S	*	.			trans	-72.4	77	170	63.4	0	0	0	0	108.2	P83 A87	P83-S85 PolarHBondContact O-N 3.36Å; S85-A87 PolarHBondContact O-N 3.12Å
86	E	66.5	Low	86.3	Confident	139 Å²	139	80.3 Å²	80.3	65%	0.65	47%	0.469	S	S	*	.			trans	-65.3	122.7	168.8	-70.8	-66	161.6	0	0	107.5	S84 K88	S84-E86 PolarHBondContact O-N 3.1Å; E86-K88 PolarHBondContact O-N 3.45Å
87	A	79.6	Confident	86.7	Confident	69 Å²	69	81.4 Å²	81.4	57%	0.57	46%	0.463	S	S	*	.			trans	-64.8	106.4	174.9	0	0	0	0	0	108.4	S85 A128	S85-A87 PolarHBondContact O-N 3.12Å; A87-A128 HydrophobicContact CB-CB 4.04Å
88	K	93.8	Very high	87	Confident	60 Å²	60	77.6 Å²	77.6	26%	0.261	45%	0.445	S	S	.	.			trans	-86.4	115.6	-179.4	-177.4	169.3	176.9	69.6	0	110.7	E86 Y90 E94 A127 P172	E86-K88 PolarHBondContact O-N 3.45Å; K88-Y90 HydrophobicContact CB-CE2 4.47Å; K88-Y90 HydrophobicContact CD-CD2 4.16Å; K88-Y90 HydrophobicContact CD-CE1 4.08Å; K88-Y90 HydrophobicContact CD-CE2 3.57Å; K88-Y90 WeakPolarHBondContact CE-OH 3.34Å; K88-Y90 HydrophobicContact CG-CD2 3.93Å; K88-Y90 HydrophobicContact CG-CE2 3.78Å; K88-Y90 HydrophobicContact CG-CG 4.48Å; K88-E94 WeakPolarHBondContact CE-OE1 3.49Å; K88-E94 IonicContact NZ-OE1 3.23Å; K88-E94 PolarHBondContact NZ-OE1 3.43Å; K88-E94 IonicContact NZ-OE2 2.65Å; K88-A127 HydrophobicContact CB-CB 4.2Å; K88-A127 WeakPolarHBondContact O-CB 3.43Å; K88-A127 PolarHBondContact O-N 3.22Å; K88-P172 HydrophobicContact CB-CB 3.62Å; K88-P172 HydrophobicContact CD-CB 3.98Å; K88-P172 HydrophobicContact CG-CB 4.45Å
89	L	97.1	Very high	87.5	Confident	120 Å²	120	72.9 Å²	72.9	63%	0.628	42%	0.42	S	S	*	.	B	Isolated β-bridge	trans	-94.6	113.9	165.1	-170.7	71.1	0	0	0	108.4	G124 F125 N126	L89-G124 VanDerWaalsContact CD1-O 3.24Å; L89-G124 WeakPolarHBondContact CD1-O 3.32Å; L89-F125 HydrophobicContact CD1-CB 4.49Å; L89-N126 HydrophobicContact CD1-CB 3.91Å
90	Y	97.7	Very high	88	Confident	16 Å²	16	73.1 Å²	73.1	6%	0.063	41%	0.413	C	S	.	.			trans	-78.4	143.3	179.6	-79.3	-94.9	0	0	0	112	K88 E94 L95 V98 F125 A127 I142 P172 L174	K88-Y90 HydrophobicContact CB-CE2 4.47Å; K88-Y90 HydrophobicContact CD-CD2 4.16Å; K88-Y90 HydrophobicContact CD-CE1 4.08Å; K88-Y90 HydrophobicContact CD-CE2 3.57Å; K88-Y90 WeakPolarHBondContact CE-OH 3.34Å; K88-Y90 HydrophobicContact CG-CD2 3.93Å; K88-Y90 HydrophobicContact CG-CE2 3.78Å; K88-Y90 HydrophobicContact CG-CG 4.48Å; Y90-E94 HydrophobicContact CD1-CB 4.5Å; Y90-E94 HydrophobicContact CD1-CG 3.91Å; Y90-E94 HydrophobicContact CE1-CG 4.43Å; Y90-L95 HydrophobicContact CD1-CB 4.3Å; Y90-L95 HydrophobicContact CD1-CD1 4.27Å; Y90-L95 HydrophobicContact CG-CB 4.35Å; Y90-L95 HydrophobicContact CG-CD1 4.19Å; Y90-V98 HydrophobicContact CE1-CB 4.47Å; Y90-V98 HydrophobicContact CE1-CG2 4.04Å; Y90-F125 PolarHBondContact N-O 2.9Å; Y90-F125 VanDerWaalsContact O-CB 3.27Å; Y90-F125 WeakPolarHBondContact O-CB 3.33Å; Y90-A127 HydrophobicContact CD2-CB 4.36Å; Y90-A127 HydrophobicContact CE2-CB 4.02Å; Y90-I142 HydrophobicContact CD2-CD1 3.96Å; Y90-P172 PolarHBondContact OH-O 2.88Å; Y90-L174 HydrophobicContact CD2-CD1 4.39Å; Y90-L174 HydrophobicContact CE1-CD1 4.33Å; Y90-L174 HydrophobicContact CE2-CD1 3.72Å; Y90-L174 HydrophobicContact CE2-CD2 4Å; Y90-L174 HydrophobicContact CE2-CG 3.85Å; Y90-L174 WeakPolarHBondContact OH-CG 3.2Å
91	G	97.6	Very high	88.8	Confident	36 Å²	36	73.1 Å²	73.1	37%	0.371	41%	0.406	S	S	.	.			trans	-72.4	155.2	161.6	0	0	0	0	0	111.6	C93 E94 L95	G91-C93 PolarHBondContact O-N 2.88Å; G91-E94 PolarHBondContact N-OE2 3.35Å; G91-E94 WeakPolarHBondContact O-CB 3.42Å; G91-E94 PolarHBondContact O-N 3.37Å; G91-L95 WeakPolarHBondContact O-CB 3.37Å; G91-L95 PolarHBondContact O-N 3.49Å
92	R	98.3	Very high	89.5	Confident	85 Å²	85	70.2 Å²	70.2	32%	0.321	39%	0.387	S	S	.	.	H	α-helix	trans	-52.3	-55.5	-180	-178.9	-179.7	63.3	81.2	-4.9	112.8	L95 A96 V116 F125 E208 W209 D211 C213	R92-L95 PolarHBondContact O-N 2.86Å; R92-A96 WeakPolarHBondContact O-CB 3.39Å; R92-A96 PolarHBondContact O-N 3.26Å; R92-V116 HydrophobicContact CG-CG1 3.99Å; R92-F125 HydrophobicContact CB-CE2 4.14Å; R92-F125 HydrophobicContact CB-CZ 4.31Å; R92-F125 HydrophobicContact CG-CZ 4.42Å; R92-E208 PolarHBondContact NH1-O 3.29Å; R92-W209 VanDerWaalsContact CD-O 3.32Å; R92-W209 WeakPolarHBondContact CD-O 3.12Å; R92-W209 VanDerWaalsContact CG-O 3.3Å; R92-W209 WeakPolarHBondContact CG-O 3.08Å; R92-W209 VanDerWaalsContact NH1-C 3.29Å; R92-W209 PolarHBondContact NH1-O 2.87Å; R92-D211 PolarHBondContact NH1-O 2.7Å; R92-D211 PolarHBondContact NH2-O 3.05Å; R92-C213 PolarHBondContact NH1-SG 2.97Å
93	C	98.5	Very high	90.7	Very high	32 Å²	32	66.2 Å²	66.2	22%	0.216	38%	0.377	C	S	.	.	H	α-helix	trans	-74.2	-28.8	179.7	-67	0	0	0	0	113.6	G91 L95 A96 R97 C213	G91-C93 PolarHBondContact O-N 2.88Å; C93-L95 VanDerWaalsContact C-N 3.35Å; C93-A96 PolarHBondContact O-N 3.45Å; C93-R97 WeakPolarHBondContact O-CB 3.46Å; C93-R97 PolarHBondContact O-N 3.42Å; C93-C213 WeakPolarHBondContact CA-SG 3.33Å; C93-C213 HydrophobicContact CB-CB 3.62Å; C93-C213 WeakPolarHBondContact CB-SG 3.27Å; C93-C213 WeakPolarHBondContact SG-CA 3.41Å; C93-C213 WeakPolarHBondContact SG-CB 3.33Å; C93-C213 CovalentContact SG-SG 2.05Å; C93-C213 PolarHBondContact SG-SG 3.15Å
94	E	98	Very high	92.1	Very high	77 Å²	77	60.5 Å²	60.5	36%	0.36	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-46.5	172.3	-175	-168.5	-167.9	0	0	110.4	K88 Y90 G91 V98	K88-E94 WeakPolarHBondContact CE-OE1 3.49Å; K88-E94 IonicContact NZ-OE1 3.23Å; K88-E94 PolarHBondContact NZ-OE1 3.43Å; K88-E94 IonicContact NZ-OE2 2.65Å; Y90-E94 HydrophobicContact CD1-CB 4.5Å; Y90-E94 HydrophobicContact CD1-CG 3.91Å; Y90-E94 HydrophobicContact CE1-CG 4.43Å; G91-E94 PolarHBondContact N-OE2 3.35Å; G91-E94 WeakPolarHBondContact O-CB 3.42Å; G91-E94 PolarHBondContact O-N 3.37Å; E94-V98 WeakPolarHBondContact O-CG2 3.31Å; E94-V98 PolarHBondContact O-N 3.48Å; E94-V98 VanDerWaalsContact O-N 3.12Å
95	L	98.3	Very high	93.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64	-47.5	175.2	-176.6	60.3	0	0	0	111.1	Y90 G91 R92 C93 R97 V98 L99 A119 F125 I142 L174	Y90-L95 HydrophobicContact CD1-CB 4.3Å; Y90-L95 HydrophobicContact CD1-CD1 4.27Å; Y90-L95 HydrophobicContact CG-CB 4.35Å; Y90-L95 HydrophobicContact CG-CD1 4.19Å; G91-L95 WeakPolarHBondContact O-CB 3.37Å; G91-L95 PolarHBondContact O-N 3.49Å; R92-L95 PolarHBondContact O-N 2.86Å; C93-L95 VanDerWaalsContact C-N 3.35Å; L95-R97 VanDerWaalsContact C-N 3.28Å; L95-R97 PolarHBondContact O-N 3.35Å; L95-V98 PolarHBondContact O-N 3.01Å; L95-V98 VanDerWaalsContact O-N 3.11Å; L95-L99 HydrophobicContact CD1-CD1 3.98Å; L95-L99 HydrophobicContact CD1-CD2 4.04Å; L95-L99 HydrophobicContact CD1-CG 3.8Å; L95-L99 HydrophobicContact CD2-CD1 4.28Å; L95-L99 HydrophobicContact CG-CD1 3.79Å; L95-L99 HydrophobicContact CG-CG 4Å; L95-L99 VanDerWaalsContact O-CG 3.31Å; L95-L99 WeakPolarHBondContact O-CG 3.32Å; L95-L99 PolarHBondContact O-N 3.05Å; L95-A119 HydrophobicContact CD2-CB 3.46Å; L95-A119 VanDerWaalsContact CD2-CB 3.46Å; L95-F125 HydrophobicContact CD2-CD1 3.45Å; L95-F125 VanDerWaalsContact CD2-CD1 3.45Å; L95-F125 HydrophobicContact CD2-CE1 3.78Å; L95-F125 HydrophobicContact CD2-CG 4.34Å; L95-I142 HydrophobicContact CD1-CD1 3.58Å; L95-I142 HydrophobicContact CD2-CD1 3.83Å; L95-I142 HydrophobicContact CG-CD1 4.37Å; L95-L174 HydrophobicContact CD1-CD1 3.55Å
96	A	98.6	Very high	95.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-54	-45.9	179.3	0	0	0	0	0	111.3	R92 C93 L99 H100 L112 V116 V210 F215	R92-A96 WeakPolarHBondContact O-CB 3.39Å; R92-A96 PolarHBondContact O-N 3.26Å; C93-A96 PolarHBondContact O-N 3.45Å; A96-L99 PolarHBondContact O-N 2.79Å; A96-H100 VanDerWaalsContact O-CB 3.26Å; A96-H100 WeakPolarHBondContact O-CB 3.28Å; A96-H100 PolarHBondContact O-N 3.32Å; A96-L112 HydrophobicContact CB-CD2 4.2Å; A96-V116 HydrophobicContact CB-CG2 3.84Å; A96-V210 HydrophobicContact CB-CG1 4.41Å; A96-F215 HydrophobicContact CB-CE1 3.92Å; A96-F215 HydrophobicContact CB-CZ 4.42Å
97	R	98.3	Very high	97	Very high	97 Å²	97	53.1 Å²	53.1	37%	0.366	30%	0.297	S	S	.	.	H	α-helix	trans	-61.1	-48.1	175.6	-171.3	-178.2	-60.6	142.9	0.7	112.3	C93 L95 L99 H100 D101 D214	C93-R97 WeakPolarHBondContact O-CB 3.46Å; C93-R97 PolarHBondContact O-N 3.42Å; L95-R97 VanDerWaalsContact C-N 3.28Å; L95-R97 PolarHBondContact O-N 3.35Å; R97-L99 VanDerWaalsContact C-N 3.33Å; R97-L99 PolarHBondContact O-N 2.83Å; R97-H100 WeakPolarHBondContact O-CB 3.46Å; R97-H100 PolarHBondContact O-N 3.24Å; R97-D101 PolarHBondContact O-N 2.75Å; R97-D214 VanDerWaalsContact CZ-O 3.31Å; R97-D214 PolarHBondContact NE-O 3.26Å; R97-D214 PolarHBondContact NH2-O 2.9Å
98	V	97.9	Very high	97.9	Very high	36 Å²	36	57 Å²	57	22%	0.218	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-43.4	178.8	169.6	0	0	0	0	111.8	Y90 E94 L95 D101 F102 L174	Y90-V98 HydrophobicContact CE1-CB 4.47Å; Y90-V98 HydrophobicContact CE1-CG2 4.04Å; E94-V98 WeakPolarHBondContact O-CG2 3.31Å; E94-V98 PolarHBondContact O-N 3.48Å; E94-V98 VanDerWaalsContact O-N 3.12Å; L95-V98 PolarHBondContact O-N 3.01Å; L95-V98 VanDerWaalsContact O-N 3.11Å; V98-D101 PolarHBondContact O-N 2.78Å; V98-F102 HydrophobicContact CG1-CD2 3.84Å; V98-F102 HydrophobicContact CG1-CE2 3.55Å; V98-F102 WeakPolarHBondContact O-CD2 3.35Å; V98-F102 PolarHBondContact O-N 3.08Å; V98-F102 VanDerWaalsContact O-N 3.14Å; V98-L174 HydrophobicContact CG1-CD1 4.16Å
99	L	98.4	Very high	98	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-69.5	-35.1	178.6	-63	-175	0	0	0	112.2	L95 A96 R97 F102 G103 L104 L112 W115 V116 F143 L174 V178	L95-L99 HydrophobicContact CD1-CD1 3.98Å; L95-L99 HydrophobicContact CD1-CD2 4.04Å; L95-L99 HydrophobicContact CD1-CG 3.8Å; L95-L99 HydrophobicContact CD2-CD1 4.28Å; L95-L99 HydrophobicContact CG-CD1 3.79Å; L95-L99 HydrophobicContact CG-CG 4Å; L95-L99 VanDerWaalsContact O-CG 3.31Å; L95-L99 WeakPolarHBondContact O-CG 3.32Å; L95-L99 PolarHBondContact O-N 3.05Å; A96-L99 PolarHBondContact O-N 2.79Å; R97-L99 VanDerWaalsContact C-N 3.33Å; R97-L99 PolarHBondContact O-N 2.83Å; L99-F102 PolarHBondContact O-N 3.05Å; L99-G103 PolarHBondContact O-N 3.18Å; L99-L104 HydrophobicContact CB-CB 4.5Å; L99-L104 HydrophobicContact CB-CD1 4.14Å; L99-L104 HydrophobicContact CD2-CD1 3.85Å; L99-L104 HydrophobicContact CG-CD1 4.37Å; L99-L104 WeakPolarHBondContact O-CB 3.44Å; L99-L104 PolarHBondContact O-N 3.02Å; L99-L104 VanDerWaalsContact O-N 3.1Å; L99-L112 HydrophobicContact CB-CD1 3.74Å; L99-W115 HydrophobicContact CD1-CB 3.82Å; L99-V116 HydrophobicContact CD1-CG2 4.38Å; L99-F143 HydrophobicContact CD1-CZ 4.17Å; L99-F143 HydrophobicContact CD2-CZ 3.97Å; L99-L174 HydrophobicContact CD2-CD1 4.37Å; L99-V178 HydrophobicContact CD2-CG2 3.86Å
100	H	98.2	Very high	98.1	Very high	74 Å²	74	54 Å²	54	34%	0.343	30%	0.298	S	S	.	.	H	α-helix	trans	-61	-47	170.7	172.6	-86.3	0	0	0	111.1	A96 R97 F102 G103 L112 F215	A96-H100 VanDerWaalsContact O-CB 3.26Å; A96-H100 WeakPolarHBondContact O-CB 3.28Å; A96-H100 PolarHBondContact O-N 3.32Å; R97-H100 WeakPolarHBondContact O-CB 3.46Å; R97-H100 PolarHBondContact O-N 3.24Å; H100-F102 PolarHBondContact O-N 3.31Å; H100-G103 WeakPolarHBondContact O-CA 3.5Å; H100-G103 PolarHBondContact O-N 3.43Å; H100-L112 HydrophobicContact CB-CD1 4.24Å; H100-L112 HydrophobicContact CB-CD2 3.92Å; H100-F215 HydrophobicContact CB-CD1 4.23Å
101	D	98	Very high	98.1	Very high	112 Å²	112	55.4 Å²	55.4	60%	0.599	31%	0.311	S	S	*	.	H	α-helix	trans	-63.6	-28.1	179.4	-66.8	-14.1	0	0	0	112.8	R97 V98 G103	R97-D101 PolarHBondContact O-N 2.75Å; V98-D101 PolarHBondContact O-N 2.78Å; D101-G103 VanDerWaalsContact C-N 3.26Å; D101-G103 PolarHBondContact O-N 2.8Å
102	F	98	Very high	98.2	Very high	73 Å²	73	54 Å²	54	32%	0.32	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-4	170.7	-75.3	-62	0	0	0	114.2	V98 L99 H100 L174 K175 V178	V98-F102 HydrophobicContact CG1-CD2 3.84Å; V98-F102 HydrophobicContact CG1-CE2 3.55Å; V98-F102 WeakPolarHBondContact O-CD2 3.35Å; V98-F102 PolarHBondContact O-N 3.08Å; V98-F102 VanDerWaalsContact O-N 3.14Å; L99-F102 PolarHBondContact O-N 3.05Å; H100-F102 PolarHBondContact O-N 3.31Å; F102-L174 HydrophobicContact CE2-CB 4.11Å; F102-K175 HydrophobicContact CE1-CB 3.9Å; F102-K175 HydrophobicContact CE1-CG 4.15Å; F102-K175 HydrophobicContact CZ-CB 3.89Å; F102-V178 HydrophobicContact CB-CG1 3.78Å; F102-V178 HydrophobicContact CD2-CB 4.34Å; F102-V178 HydrophobicContact CD2-CG1 4.48Å; F102-V178 HydrophobicContact CD2-CG2 3.79Å; F102-V178 HydrophobicContact CE2-CG2 4.23Å; F102-V178 HydrophobicContact CG-CB 4.3Å; F102-V178 HydrophobicContact CG-CG1 4.07Å; F102-V178 HydrophobicContact CG-CG2 4.2Å
103	G	97.6	Very high	98.2	Very high	44 Å²	44	50.3 Å²	50.3	45%	0.454	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	30	178	0	0	0	0	0	114.3	L99 H100 D101	L99-G103 PolarHBondContact O-N 3.18Å; H100-G103 WeakPolarHBondContact O-CA 3.5Å; H100-G103 PolarHBondContact O-N 3.43Å; D101-G103 VanDerWaalsContact C-N 3.26Å; D101-G103 PolarHBondContact O-N 2.8Å
104	L	98.4	Very high	98.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.278	C	S	.	.			trans	-80.6	-17.2	177.2	-70.5	-173	0	0	0	114.1	L99 G106 Y107 W115 V178 M182	L99-L104 HydrophobicContact CB-CB 4.5Å; L99-L104 HydrophobicContact CB-CD1 4.14Å; L99-L104 HydrophobicContact CD2-CD1 3.85Å; L99-L104 HydrophobicContact CG-CD1 4.37Å; L99-L104 WeakPolarHBondContact O-CB 3.44Å; L99-L104 PolarHBondContact O-N 3.02Å; L99-L104 VanDerWaalsContact O-N 3.1Å; L104-G106 PolarHBondContact O-N 2.84Å; L104-Y107 HydrophobicContact CD2-CG 4.43Å; L104-Y107 WeakPolarHBondContact O-CB 3.14Å; L104-Y107 PolarHBondContact O-N 3.33Å; L104-Y107 VanDerWaalsContact O-N 3.09Å; L104-W115 HydrophobicContact CB-CD2 4.32Å; L104-W115 HydrophobicContact CB-CG 4.17Å; L104-W115 HydrophobicContact CD1-CD2 3.8Å; L104-W115 HydrophobicContact CD1-CE3 3.93Å; L104-W115 HydrophobicContact CD1-CG 4.08Å; L104-W115 HydrophobicContact CD1-CZ3 4.36Å; L104-W115 HydrophobicContact CD2-CD2 4.49Å; L104-W115 HydrophobicContact CD2-CH2 4.15Å; L104-W115 HydrophobicContact CD2-CZ2 3.89Å; L104-W115 HydrophobicContact CG-CD2 4.46Å; L104-W115 PolarHBondContact O-NE1 3.19Å; L104-V178 HydrophobicContact CD1-CG1 3.92Å; L104-V178 HydrophobicContact CD1-CG2 4.32Å; L104-V178 HydrophobicContact CD2-CG1 3.96Å; L104-V178 HydrophobicContact CG-CG1 3.97Å; L104-M182 HydrophobicContact CD2-CG 3.53Å; L104-M182 HydrophobicContact CD2-SD 4.07Å
105	D	98	Very high	98.2	Very high	91 Å²	91	46.2 Å²	46.2	49%	0.487	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	118.7	176	-165.7	21.6	0	0	0	110.9	Y107 L112	D105-Y107 VanDerWaalsContact C-N 3.25Å; D105-Y107 PolarHBondContact O-N 3.43Å; D105-L112 HydrophobicContact CB-CB 3.94Å; D105-L112 PolarHBondContact OD1-N 3.43Å
106	G	98	Very high	98.3	Very high	47 Å²	47	46.2 Å²	46.2	49%	0.485	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-1.3	-173.7	0	0	0	0	0	114.7	L104 R108 G109 Y110	L104-G106 PolarHBondContact O-N 2.84Å; G106-R108 PolarHBondContact O-N 3.12Å; G106-R108 VanDerWaalsContact O-N 3.11Å; G106-G109 PolarHBondContact O-N 3.15Å; G106-Y110 CarbonylContact C-O 3.44Å; G106-Y110 WeakPolarHBondContact CA-O 3.3Å; G106-Y110 PolarHBondContact N-O 3.35Å
107	Y	98.5	Very high	98.3	Very high	47 Å²	47	46.2 Å²	46.2	18%	0.184	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-61.1	120	-179.4	-174.5	-100.3	0	0	0	110.5	L104 D105 G109 Y110 W115 M182 T185 Q186	L104-Y107 HydrophobicContact CD2-CG 4.43Å; L104-Y107 WeakPolarHBondContact O-CB 3.14Å; L104-Y107 PolarHBondContact O-N 3.33Å; L104-Y107 VanDerWaalsContact O-N 3.09Å; D105-Y107 VanDerWaalsContact C-N 3.25Å; D105-Y107 PolarHBondContact O-N 3.43Å; Y107-G109 PolarHBondContact O-N 3.07Å; Y107-G109 VanDerWaalsContact O-N 3.15Å; Y107-Y110 PolarHBondContact N-O 2.79Å; Y107-Y110 PolarHBondContact O-N 3.19Å; Y107-Y110 VanDerWaalsContact O-N 3.12Å; Y107-W115 AromaticContact CD1-CZ2 3.97Å; Y107-W115 HydrophobicContact CD1-CZ2 3.97Å; Y107-M182 HydrophobicContact CD1-CG 4.28Å; Y107-M182 HydrophobicContact CD2-CE 3.57Å; Y107-M182 HydrophobicContact CE1-CB 3.84Å; Y107-M182 HydrophobicContact CE1-CE 4.36Å; Y107-M182 HydrophobicContact CE1-CG 3.94Å; Y107-M182 HydrophobicContact CE2-CE 3.26Å; Y107-M182 HydrophobicContact CE2-CG 4.5Å; Y107-M182 HydrophobicContact CG-CE 4.25Å; Y107-M182 PolarHBondContact OH-O 2.94Å; Y107-T185 WeakPolarHBondContact CE1-OG1 3.44Å; Y107-Q186 PolarHBondContact OH-NE2 3.21Å
108	R	97.5	Very high	98.3	Very high	149 Å²	149	41.6 Å²	41.6	56%	0.562	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	57.2	23.6	-176.7	-60.1	-77.2	-69.5	175.2	-1.4	113.8	G106 Y110 T185 Q186	G106-R108 PolarHBondContact O-N 3.12Å; G106-R108 VanDerWaalsContact O-N 3.11Å; R108-Y110 HydrophobicContact CB-CD2 4.16Å; R108-Y110 HydrophobicContact CB-CE2 4.36Å; R108-T185 PolarHBondContact NE-O 2.87Å; R108-Q186 PolarHBondContact NH2-O 3.18Å
109	G	97.5	Very high	98.3	Very high	71 Å²	71	39.9 Å²	39.9	73%	0.732	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	84.4	7.6	-179.9	0	0	0	0	0	114.7	G106 Y107	G106-G109 PolarHBondContact O-N 3.15Å; Y107-G109 PolarHBondContact O-N 3.07Å; Y107-G109 VanDerWaalsContact O-N 3.15Å
110	Y	98.5	Very high	98.4	Very high	47 Å²	47	45.2 Å²	45.2	18%	0.184	25%	0.254	C	S	.	.			trans	-93.4	135	172.9	-62.1	-68.6	0	0	0	110.5	G106 Y107 R108 L191 W197	G106-Y110 CarbonylContact C-O 3.44Å; G106-Y110 WeakPolarHBondContact CA-O 3.3Å; G106-Y110 PolarHBondContact N-O 3.35Å; Y107-Y110 PolarHBondContact N-O 2.79Å; Y107-Y110 PolarHBondContact O-N 3.19Å; Y107-Y110 VanDerWaalsContact O-N 3.12Å; R108-Y110 HydrophobicContact CB-CD2 4.16Å; R108-Y110 HydrophobicContact CB-CE2 4.36Å; Y110-L191 HydrophobicContact CD1-CB 4.27Å; Y110-L191 HydrophobicContact CD1-CD1 3.43Å; Y110-L191 VanDerWaalsContact CD1-CD1 3.43Å; Y110-L191 HydrophobicContact CD1-CG 3.91Å; Y110-L191 HydrophobicContact CD2-CD1 3.89Å; Y110-L191 HydrophobicContact CD2-CG 3.7Å; Y110-L191 HydrophobicContact CE1-CB 3.84Å; Y110-L191 HydrophobicContact CE1-CD1 3.9Å; Y110-L191 HydrophobicContact CE1-CG 3.94Å; Y110-L191 HydrophobicContact CE2-CB 4.12Å; Y110-L191 HydrophobicContact CE2-CD1 4.32Å; Y110-L191 HydrophobicContact CE2-CG 3.75Å; Y110-L191 HydrophobicContact CG-CD1 3.4Å; Y110-L191 VanDerWaalsContact CG-CD1 3.4Å; Y110-L191 HydrophobicContact CG-CG 3.77Å; Y110-L191 PolarHBondContact OH-N 3.39Å; Y110-W197 HydrophobicContact CD1-CH2 4.48Å; Y110-W197 HydrophobicContact CD1-CZ2 4.05Å; Y110-W197 AromaticContact CE1-CH2 3.79Å; Y110-W197 HydrophobicContact CE1-CH2 3.79Å; Y110-W197 AromaticContact CE1-CZ2 3.8Å; Y110-W197 HydrophobicContact CE1-CZ2 3.8Å
111	S	98.3	Very high	98.4	Very high	46 Å²	46	45.1 Å²	45.1	32%	0.322	25%	0.252	S	S	.	.			trans	-73	161.2	177.1	67.7	0	0	0	0	110.9	A113 D114	S111-A113 PolarHBondContact O-N 3.37Å; S111-A113 PolarHBondContact OG-N 3Å; S111-D114 WeakPolarHBondContact CB-OD2 3.43Å; S111-D114 PolarHBondContact N-OD2 2.9Å; S111-D114 WeakPolarHBondContact O-CB 3.3Å; S111-D114 PolarHBondContact O-N 3.19Å; S111-D114 VanDerWaalsContact O-N 3.07Å; S111-D114 PolarHBondContact OG-N 3.45Å; S111-D114 PolarHBondContact OG-OD2 3.32Å
112	L	98.5	Very high	98.4	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.037	23%	0.232	C	C	.	.	H	α-helix	trans	-52.7	-37.5	170	-172.5	61	0	0	0	112.6	A96 L99 H100 D105 D114 W115 V116 V210 F215	A96-L112 HydrophobicContact CB-CD2 4.2Å; L99-L112 HydrophobicContact CB-CD1 3.74Å; H100-L112 HydrophobicContact CB-CD1 4.24Å; H100-L112 HydrophobicContact CB-CD2 3.92Å; D105-L112 HydrophobicContact CB-CB 3.94Å; D105-L112 PolarHBondContact OD1-N 3.43Å; L112-D114 VanDerWaalsContact C-N 3.3Å; L112-D114 PolarHBondContact O-N 3.47Å; L112-W115 PolarHBondContact O-N 2.93Å; L112-V116 WeakPolarHBondContact O-CG2 3.38Å; L112-V116 PolarHBondContact O-N 3.46Å; L112-V116 VanDerWaalsContact O-N 3.11Å; L112-V210 HydrophobicContact CB-CG1 4.23Å; L112-V210 HydrophobicContact CD2-CG1 4.08Å; L112-V210 HydrophobicContact CG-CG1 4.02Å; L112-F215 HydrophobicContact CD2-CD1 4.36Å; L112-F215 HydrophobicContact CD2-CE1 3.52Å; L112-F215 HydrophobicContact CD2-CZ 3.85Å
113	A	98.6	Very high	98.4	Very high	7 Å²	7	38.7 Å²	38.7	6%	0.058	22%	0.224	C	C	.	.	H	α-helix	trans	-62.3	-33.4	179	0	0	0	0	0	113.4	S111 W115 V116 C117 L206 W209 V210	S111-A113 PolarHBondContact O-N 3.37Å; S111-A113 PolarHBondContact OG-N 3Å; A113-W115 VanDerWaalsContact C-N 3.32Å; A113-W115 PolarHBondContact O-N 3.38Å; A113-V116 PolarHBondContact O-N 3.35Å; A113-C117 VanDerWaalsContact O-CB 3.28Å; A113-C117 WeakPolarHBondContact O-CB 3.33Å; A113-C117 PolarHBondContact O-N 2.82Å; A113-L206 HydrophobicContact CB-CB 3.7Å; A113-L206 WeakPolarHBondContact CB-O 3.43Å; A113-W209 HydrophobicContact CB-CB 4.09Å; A113-V210 HydrophobicContact CB-CG1 4.06Å; A113-V210 HydrophobicContact CB-CG2 4.15Å
114	D	98.8	Very high	98.5	Very high	23 Å²	23	38.2 Å²	38.2	12%	0.123	22%	0.219	C	C	.	.	H	α-helix	trans	-60	-43.9	174.1	-72.9	-74.9	0	0	0	111.7	S111 L112 L118 L191 W197 L206	S111-D114 WeakPolarHBondContact CB-OD2 3.43Å; S111-D114 PolarHBondContact N-OD2 2.9Å; S111-D114 WeakPolarHBondContact O-CB 3.3Å; S111-D114 PolarHBondContact O-N 3.19Å; S111-D114 VanDerWaalsContact O-N 3.07Å; S111-D114 PolarHBondContact OG-N 3.45Å; S111-D114 PolarHBondContact OG-OD2 3.32Å; L112-D114 VanDerWaalsContact C-N 3.3Å; L112-D114 PolarHBondContact O-N 3.47Å; D114-L118 WeakPolarHBondContact O-CB 3.32Å; D114-L118 PolarHBondContact O-N 3.5Å; D114-L191 HydrophobicContact CB-CD1 3.65Å; D114-W197 WeakPolarHBondContact OD1-CZ2 3.26Å; D114-W197 PolarHBondContact OD1-NE1 3.46Å; D114-L206 HydrophobicContact CB-CD1 4.38Å; D114-L206 VanDerWaalsContact OD1-CD1 3.3Å; D114-L206 WeakPolarHBondContact OD1-CD1 3.49Å
115	W	98.8	Very high	98.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-70.2	-40.2	-179.4	-62.9	100.6	0	0	0	112.6	L99 L104 Y107 L112 A113 L118 A119 F143 A181 T185 L191	L99-W115 HydrophobicContact CD1-CB 3.82Å; L104-W115 HydrophobicContact CB-CD2 4.32Å; L104-W115 HydrophobicContact CB-CG 4.17Å; L104-W115 HydrophobicContact CD1-CD2 3.8Å; L104-W115 HydrophobicContact CD1-CE3 3.93Å; L104-W115 HydrophobicContact CD1-CG 4.08Å; L104-W115 HydrophobicContact CD1-CZ3 4.36Å; L104-W115 HydrophobicContact CD2-CD2 4.49Å; L104-W115 HydrophobicContact CD2-CH2 4.15Å; L104-W115 HydrophobicContact CD2-CZ2 3.89Å; L104-W115 HydrophobicContact CG-CD2 4.46Å; L104-W115 PolarHBondContact O-NE1 3.19Å; Y107-W115 AromaticContact CD1-CZ2 3.97Å; Y107-W115 HydrophobicContact CD1-CZ2 3.97Å; L112-W115 PolarHBondContact O-N 2.93Å; A113-W115 VanDerWaalsContact C-N 3.32Å; A113-W115 PolarHBondContact O-N 3.38Å; W115-L118 HydrophobicContact CE3-CD2 4.39Å; W115-L118 PolarHBondContact O-N 3.01Å; W115-A119 PolarHBondContact O-N 2.98Å; W115-F143 HydrophobicContact CE3-CE1 4.46Å; W115-F143 HydrophobicContact CE3-CZ 4.2Å; W115-A181 HydrophobicContact CZ3-CB 4.02Å; W115-T185 HydrophobicContact CH2-CG2 3.42Å; W115-T185 VanDerWaalsContact CH2-CG2 3.42Å; W115-T185 HydrophobicContact CZ2-CG2 4.1Å; W115-T185 HydrophobicContact CZ3-CG2 4.13Å; W115-L191 HydrophobicContact CD2-CD2 4.4Å; W115-L191 HydrophobicContact CE3-CD2 4Å; W115-L191 HydrophobicContact CH2-CD2 3.87Å; W115-L191 HydrophobicContact CZ2-CD2 4.23Å; W115-L191 HydrophobicContact CZ3-CD2 3.72Å
116	V	98.8	Very high	98.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-44	175.8	-178.9	0	0	0	0	110.1	R92 A96 L99 L112 A113 L118 A119 Y120 F125 W209 V210	R92-V116 HydrophobicContact CG-CG1 3.99Å; A96-V116 HydrophobicContact CB-CG2 3.84Å; L99-V116 HydrophobicContact CD1-CG2 4.38Å; L112-V116 WeakPolarHBondContact O-CG2 3.38Å; L112-V116 PolarHBondContact O-N 3.46Å; L112-V116 VanDerWaalsContact O-N 3.11Å; A113-V116 PolarHBondContact O-N 3.35Å; V116-L118 PolarHBondContact O-N 3.26Å; V116-A119 PolarHBondContact O-N 2.86Å; V116-Y120 PolarHBondContact O-N 3.32Å; V116-Y120 VanDerWaalsContact O-N 3.1Å; V116-F125 HydrophobicContact CG1-CE1 4.03Å; V116-F125 HydrophobicContact CG1-CZ 4.08Å; V116-F125 WeakPolarHBondContact O-CE1 3.3Å; V116-W209 HydrophobicContact CB-CB 4.23Å; V116-W209 HydrophobicContact CG1-CB 4.2Å; V116-W209 HydrophobicContact CG1-CE3 3.81Å; V116-V210 HydrophobicContact CG2-CG1 4.41Å
117	C	98.8	Very high	98.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.5	-46.1	174.6	-177.4	0	0	0	0	111.8	A113 A119 Y120 F121 C201 L206 W209	A113-C117 VanDerWaalsContact O-CB 3.28Å; A113-C117 WeakPolarHBondContact O-CB 3.33Å; A113-C117 PolarHBondContact O-N 2.82Å; C117-A119 PolarHBondContact O-N 3.46Å; C117-Y120 PolarHBondContact O-N 3Å; C117-F121 WeakPolarHBondContact O-CD2 3.27Å; C117-F121 PolarHBondContact O-N 3.34Å; C117-F121 VanDerWaalsContact O-N 3.14Å; C117-C201 HydrophobicContact CB-CB 3.89Å; C117-C201 WeakPolarHBondContact CB-SG 3.43Å; C117-C201 VanDerWaalsContact SG-CA 3.56Å; C117-C201 WeakPolarHBondContact SG-CB 3.46Å; C117-C201 CovalentContact SG-SG 2.03Å; C117-C201 PolarHBondContact SG-SG 3.35Å; C117-L206 HydrophobicContact CB-CD1 4.27Å; C117-L206 HydrophobicContact CB-CD2 4.3Å; C117-W209 HydrophobicContact CB-CD2 3.94Å; C117-W209 HydrophobicContact CB-CG 4.02Å; C117-W209 HydrophobicContact CB-CZ2 4.3Å
118	L	98.9	Very high	98.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-55.5	-51.1	175.7	168.8	64.3	0	0	0	111.6	D114 W115 V116 Y120 F121 T122 F143 L191 W194 W197	D114-L118 WeakPolarHBondContact O-CB 3.32Å; D114-L118 PolarHBondContact O-N 3.5Å; W115-L118 HydrophobicContact CE3-CD2 4.39Å; W115-L118 PolarHBondContact O-N 3.01Å; V116-L118 PolarHBondContact O-N 3.26Å; L118-Y120 VanDerWaalsContact C-N 3.27Å; L118-Y120 PolarHBondContact O-N 3.28Å; L118-F121 PolarHBondContact O-N 3.1Å; L118-T122 HydrophobicContact CD1-CG2 3.52Å; L118-T122 HydrophobicContact CG-CG2 4.39Å; L118-T122 WeakPolarHBondContact O-CB 3.48Å; L118-T122 WeakPolarHBondContact O-CG2 3.45Å; L118-T122 PolarHBondContact O-N 3.34Å; L118-T122 PolarHBondContact O-OG1 3.38Å; L118-F143 HydrophobicContact CD2-CD1 3.83Å; L118-F143 HydrophobicContact CD2-CE1 4.26Å; L118-F143 HydrophobicContact CD2-CG 4.44Å; L118-F143 HydrophobicContact CG-CD1 4Å; L118-F143 HydrophobicContact CG-CE1 4.49Å; L118-L191 HydrophobicContact CD2-CD2 3.97Å; L118-W194 HydrophobicContact CD1-CB 3.48Å; L118-W194 VanDerWaalsContact CD1-CB 3.48Å; L118-W194 HydrophobicContact CD1-CD2 4.09Å; L118-W194 HydrophobicContact CD1-CG 3.51Å; L118-W194 HydrophobicContact CD2-CD2 3.93Å; L118-W194 HydrophobicContact CD2-CE3 4.18Å; L118-W194 HydrophobicContact CD2-CG 4.24Å; L118-W194 HydrophobicContact CD2-CZ2 4.49Å; L118-W197 HydrophobicContact CB-CB 4.4Å; L118-W197 HydrophobicContact CD1-CB 3.86Å
119	A	98.8	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.7	-38.1	-178.4	0	0	0	0	0	112.4	L95 W115 V116 C117 T122 S123 G124 F125 I142 F143	L95-A119 HydrophobicContact CD2-CB 3.46Å; L95-A119 VanDerWaalsContact CD2-CB 3.46Å; W115-A119 PolarHBondContact O-N 2.98Å; V116-A119 PolarHBondContact O-N 2.86Å; C117-A119 PolarHBondContact O-N 3.46Å; A119-T122 WeakPolarHBondContact CA-OG1 3.27Å; A119-T122 PolarHBondContact O-OG1 3.17Å; A119-S123 PolarHBondContact O-N 2.98Å; A119-S123 PolarHBondContact O-OG 3.38Å; A119-G124 PolarHBondContact O-N 2.73Å; A119-F125 HydrophobicContact CB-CD1 3.87Å; A119-F125 HydrophobicContact CB-CE1 4.11Å; A119-F125 PolarHBondContact O-N 3.45Å; A119-I142 HydrophobicContact CB-CD1 4.37Å; A119-I142 HydrophobicContact CB-CG1 4.1Å; A119-F143 HydrophobicContact CB-CD1 4.18Å; A119-F143 HydrophobicContact CB-CE1 3.85Å
120	Y	98.8	Very high	98.4	Very high	111 Å²	111	28 Å²	28	44%	0.435	16%	0.157	S	C	.	.	H	α-helix	trans	-64	-51.2	177	-176.3	-99.8	0	0	0	111.8	V116 C117 L118 T122 G124 F125 W209	V116-Y120 PolarHBondContact O-N 3.32Å; V116-Y120 VanDerWaalsContact O-N 3.1Å; C117-Y120 PolarHBondContact O-N 3Å; L118-Y120 VanDerWaalsContact C-N 3.27Å; L118-Y120 PolarHBondContact O-N 3.28Å; Y120-T122 VanDerWaalsContact C-N 3.31Å; Y120-T122 PolarHBondContact O-N 3.06Å; Y120-G124 VanDerWaalsContact O-CA 3.26Å; Y120-G124 WeakPolarHBondContact O-CA 3.37Å; Y120-G124 PolarHBondContact O-N 2.93Å; Y120-F125 HydrophobicContact CD2-CD2 4.1Å; Y120-F125 HydrophobicContact CD2-CE1 4.23Å; Y120-F125 AromaticContact CD2-CE2 3.59Å; Y120-F125 HydrophobicContact CD2-CE2 3.59Å; Y120-F125 AromaticContact CD2-CZ 3.67Å; Y120-F125 HydrophobicContact CD2-CZ 3.67Å; Y120-F125 HydrophobicContact CE2-CE2 4.38Å; Y120-F125 HydrophobicContact CG-CE1 4.41Å; Y120-F125 HydrophobicContact CG-CE2 4.47Å; Y120-F125 HydrophobicContact CG-CZ 4.12Å; Y120-W209 AromaticContact CD1-CH2 3.42Å; Y120-W209 HydrophobicContact CD1-CH2 3.42Å; Y120-W209 VanDerWaalsContact CD1-CH2 3.42Å; Y120-W209 HydrophobicContact CD1-CZ2 4.32Å; Y120-W209 HydrophobicContact CD1-CZ3 4.16Å; Y120-W209 HydrophobicContact CD2-CH2 4.11Å; Y120-W209 HydrophobicContact CD2-CZ3 4.06Å; Y120-W209 HydrophobicContact CE1-CH2 4.1Å; Y120-W209 AromaticContact CG-CH2 3.39Å; Y120-W209 HydrophobicContact CG-CH2 3.39Å; Y120-W209 AromaticContact CG-CZ3 3.64Å; Y120-W209 HydrophobicContact CG-CZ3 3.64Å
121	F	98.7	Very high	98.4	Very high	73 Å²	73	29.4 Å²	29.4	32%	0.32	17%	0.167	S	C	.	.	H	α-helix	trans	-77.7	-15	-175	-75.8	-73.8	0	0	0	114.2	C117 L118 A196 H200 W209	C117-F121 WeakPolarHBondContact O-CD2 3.27Å; C117-F121 PolarHBondContact O-N 3.34Å; C117-F121 VanDerWaalsContact O-N 3.14Å; L118-F121 PolarHBondContact O-N 3.1Å; F121-A196 HydrophobicContact CB-CB 4.05Å; F121-H200 HydrophobicContact CB-CB 4.17Å; F121-H200 HydrophobicContact CD1-CB 3.63Å; F121-H200 AromaticContact CD1-CD2 3.74Å; F121-H200 AromaticContact CD1-CG 3.4Å; F121-H200 AromaticContact CD1-ND1 3.7Å; F121-H200 HydrophobicContact CD2-CB 3.34Å; F121-H200 HydrophobicContact CE1-CB 3.77Å; F121-H200 AromaticContact CE1-CG 3.59Å; F121-H200 AromaticContact CE1-ND1 3.47Å; F121-H200 WeakPolarHBondContact CE1-ND1 3.03Å; F121-H200 HydrophobicContact CE2-CB 3.48Å; F121-H200 VanDerWaalsContact CE2-CB 3.48Å; F121-H200 HydrophobicContact CG-CB 3.42Å; F121-H200 VanDerWaalsContact CG-CB 3.42Å; F121-H200 AromaticContact CG-CG 3.68Å; F121-H200 HydrophobicContact CZ-CB 3.7Å; F121-W209 HydrophobicContact CD2-CZ2 4.43Å; F121-W209 HydrophobicContact CE2-CH2 4.21Å; F121-W209 AromaticContact CE2-CZ2 3.72Å; F121-W209 HydrophobicContact CE2-CZ2 3.72Å; F121-W209 HydrophobicContact CZ-CZ2 4.49Å
122	T	98.5	Very high	98.3	Very high	28 Å²	28	35 Å²	35	17%	0.172	18%	0.183	C	C	.	.	H	α-helix	trans	-89.4	-44.2	173.5	47	0	0	0	0	112.7	L118 A119 Y120 I142 Q144 A196	L118-T122 HydrophobicContact CD1-CG2 3.52Å; L118-T122 HydrophobicContact CG-CG2 4.39Å; L118-T122 WeakPolarHBondContact O-CB 3.48Å; L118-T122 WeakPolarHBondContact O-CG2 3.45Å; L118-T122 PolarHBondContact O-N 3.34Å; L118-T122 PolarHBondContact O-OG1 3.38Å; A119-T122 WeakPolarHBondContact CA-OG1 3.27Å; A119-T122 PolarHBondContact O-OG1 3.17Å; Y120-T122 VanDerWaalsContact C-N 3.31Å; Y120-T122 PolarHBondContact O-N 3.06Å; T122-I142 PolarHBondContact OG1-O 3.04Å; T122-Q144 HydrophobicContact CG2-CB 4.31Å; T122-Q144 WeakPolarHBondContact O-CG 3.36Å; T122-A196 HydrophobicContact CG2-CB 3.71Å
123	S	98.5	Very high	98.2	Very high	22 Å²	22	38.4 Å²	38.4	15%	0.154	20%	0.198	C	C	.	.	H	α-helix	trans	-133.4	-2.8	-170.2	65.4	0	0	0	0	115	A119 F125 N126 I142	A119-S123 PolarHBondContact O-N 2.98Å; A119-S123 PolarHBondContact O-OG 3.38Å; S123-F125 PolarHBondContact O-N 3.05Å; S123-F125 PolarHBondContact OG-N 3.42Å; S123-N126 WeakPolarHBondContact O-CB 3.34Å; S123-N126 PolarHBondContact O-N 3.04Å; S123-N126 PolarHBondContact OG-N 3.14Å; S123-I142 WeakPolarHBondContact CB-O 3.36Å; S123-I142 WeakPolarHBondContact OG-CA 3.4Å; S123-I142 WeakPolarHBondContact OG-CG1 3.27Å; S123-I142 PolarHBondContact OG-O 2.84Å
124	G	98.3	Very high	98.1	Very high	34 Å²	34	43.5 Å²	43.5	35%	0.351	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	32.5	-169	0	0	0	0	0	112.3	L89 A119 Y120 N126	L89-G124 VanDerWaalsContact CD1-O 3.24Å; L89-G124 WeakPolarHBondContact CD1-O 3.32Å; A119-G124 PolarHBondContact O-N 2.73Å; Y120-G124 VanDerWaalsContact O-CA 3.26Å; Y120-G124 WeakPolarHBondContact O-CA 3.37Å; Y120-G124 PolarHBondContact O-N 2.93Å; G124-N126 VanDerWaalsContact C-N 3.3Å; G124-N126 PolarHBondContact O-N 3.33Å
125	F	98.5	Very high	97.9	Very high	19 Å²	19	46.5 Å²	46.5	8%	0.083	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	14.3	-175.9	-48.5	-46.1	0	0	0	116.3	L89 Y90 R92 L95 V116 A119 Y120 S123 A127 W209	L89-F125 HydrophobicContact CD1-CB 4.49Å; Y90-F125 PolarHBondContact N-O 2.9Å; Y90-F125 VanDerWaalsContact O-CB 3.27Å; Y90-F125 WeakPolarHBondContact O-CB 3.33Å; R92-F125 HydrophobicContact CB-CE2 4.14Å; R92-F125 HydrophobicContact CB-CZ 4.31Å; R92-F125 HydrophobicContact CG-CZ 4.42Å; L95-F125 HydrophobicContact CD2-CD1 3.45Å; L95-F125 VanDerWaalsContact CD2-CD1 3.45Å; L95-F125 HydrophobicContact CD2-CE1 3.78Å; L95-F125 HydrophobicContact CD2-CG 4.34Å; V116-F125 HydrophobicContact CG1-CE1 4.03Å; V116-F125 HydrophobicContact CG1-CZ 4.08Å; V116-F125 WeakPolarHBondContact O-CE1 3.3Å; A119-F125 HydrophobicContact CB-CD1 3.87Å; A119-F125 HydrophobicContact CB-CE1 4.11Å; A119-F125 PolarHBondContact O-N 3.45Å; Y120-F125 HydrophobicContact CD2-CD2 4.1Å; Y120-F125 HydrophobicContact CD2-CE1 4.23Å; Y120-F125 AromaticContact CD2-CE2 3.59Å; Y120-F125 HydrophobicContact CD2-CE2 3.59Å; Y120-F125 AromaticContact CD2-CZ 3.67Å; Y120-F125 HydrophobicContact CD2-CZ 3.67Å; Y120-F125 HydrophobicContact CE2-CE2 4.38Å; Y120-F125 HydrophobicContact CG-CE1 4.41Å; Y120-F125 HydrophobicContact CG-CE2 4.47Å; Y120-F125 HydrophobicContact CG-CZ 4.12Å; S123-F125 PolarHBondContact O-N 3.05Å; S123-F125 PolarHBondContact OG-N 3.42Å; F125-A127 PolarHBondContact O-N 3.35Å; F125-W209 HydrophobicContact CZ-CE3 4.35Å; F125-W209 AromaticContact CZ-CZ3 3.88Å; F125-W209 HydrophobicContact CZ-CZ3 3.88Å
126	N	98.2	Very high	97.7	Very high	50 Å²	50	49.5 Å²	49.5	27%	0.267	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-84.3	112	178	-179.2	5.6	0	0	0	111.1	L89 S123 G124 A128 A129	L89-N126 HydrophobicContact CD1-CB 3.91Å; S123-N126 WeakPolarHBondContact O-CB 3.34Å; S123-N126 PolarHBondContact O-N 3.04Å; S123-N126 PolarHBondContact OG-N 3.14Å; G124-N126 VanDerWaalsContact C-N 3.3Å; G124-N126 PolarHBondContact O-N 3.33Å; N126-A128 PolarHBondContact O-N 3.43Å; N126-A128 PolarHBondContact OD1-N 2.84Å; N126-A129 HydrophobicContact CB-CB 4.13Å; N126-A129 WeakPolarHBondContact O-CB 3.32Å; N126-A129 PolarHBondContact O-N 3.43Å
127	A	97.8	Very high	97.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.7	178.9	0	0	0	0	0	113.6	K88 Y90 F125 G141 L174	K88-A127 HydrophobicContact CB-CB 4.2Å; K88-A127 WeakPolarHBondContact O-CB 3.43Å; K88-A127 PolarHBondContact O-N 3.22Å; Y90-A127 HydrophobicContact CD2-CB 4.36Å; Y90-A127 HydrophobicContact CE2-CB 4.02Å; F125-A127 PolarHBondContact O-N 3.35Å; A127-G141 WeakPolarHBondContact O-CA 3.28Å; A127-L174 HydrophobicContact CB-CD2 4.15Å
128	A	97.1	Very high	97.5	Very high	36 Å²	36	50.2 Å²	50.2	30%	0.298	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	16.6	179.3	0	0	0	0	0	112.8	A87 N126 L130	A87-A128 HydrophobicContact CB-CB 4.04Å; N126-A128 PolarHBondContact O-N 3.43Å; N126-A128 PolarHBondContact OD1-N 2.84Å; A128-L130 PolarHBondContact O-N 2.86Å
129	A	97.9	Very high	97.5	Very high	14 Å²	14	51.1 Å²	51.1	12%	0.116	30%	0.297	C	S	.	.			trans	-60.8	132.4	177.4	0	0	0	0	0	111.2	N126 G141 Q144 L170	N126-A129 HydrophobicContact CB-CB 4.13Å; N126-A129 WeakPolarHBondContact O-CB 3.32Å; N126-A129 PolarHBondContact O-N 3.43Å; A129-G141 PolarHBondContact O-N 3.16Å; A129-Q144 PolarHBondContact O-NE2 3.36Å; A129-Q144 VanDerWaalsContact O-NE2 3.13Å; A129-L170 WeakPolarHBondContact O-CD2 3.02Å
130	L	97.6	Very high	97.5	Very high	71 Å²	71	51.3 Å²	51.3	37%	0.372	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	125.6	179.3	-179.6	64.2	0	0	0	108.7	A128 Y132 T138 N139 N140	A128-L130 PolarHBondContact O-N 2.86Å; L130-Y132 HydrophobicContact CD2-CE2 4.03Å; L130-Y132 WeakPolarHBondContact CD2-OH 3.05Å; L130-Y132 HydrophobicContact CG-CE2 4.08Å; L130-T138 HydrophobicContact CD1-CG2 4.39Å; L130-N139 WeakPolarHBondContact CA-O 3.39Å; L130-N140 VanDerWaalsContact CD1-OD1 3.26Å; L130-N140 WeakPolarHBondContact CD1-OD1 3.34Å
131	D	97.7	Very high	97.5	Very high	76 Å²	76	46 Å²	46	41%	0.406	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.5	176.9	177.3	55.8	0	0	0	110.7	T138 N139	D131-T138 CarbonylContact O-C 3.59Å; D131-T138 VanDerWaalsContact O-CA 3.25Å; D131-T138 WeakPolarHBondContact O-CA 3.4Å; D131-N139 HydrophobicContact CB-CB 4.22Å; D131-N139 PolarHBondContact N-O 3.26Å; D131-N139 PolarHBondContact O-N 2.96Å; D131-N139 PolarHBondContact OD2-ND2 3.41Å
132	Y	97.6	Very high	97.5	Very high	164 Å²	164	42.5 Å²	42.5	64%	0.643	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.5	-173.6	-67.4	-92.7	0	0	0	110.3	L130 T138	L130-Y132 HydrophobicContact CD2-CE2 4.03Å; L130-Y132 WeakPolarHBondContact CD2-OH 3.05Å; L130-Y132 HydrophobicContact CG-CE2 4.08Å; Y132-T138 HydrophobicContact CD1-CG2 3.7Å; Y132-T138 HydrophobicContact CE1-CG2 3.8Å
133	E	96.3	Very high	97.5	Very high	79 Å²	79	41.2 Å²	41.2	37%	0.369	25%	0.253	S	S	.	.			trans	-85.3	156.6	178.2	-66.4	-71.1	177.5	0	0	111.4	D135 G136 S137 N139	E133-D135 VanDerWaalsContact CB-OD1 3.27Å; E133-D135 WeakPolarHBondContact CB-OD1 3.28Å; E133-D135 PolarHBondContact O-N 3.19Å; E133-D135 VanDerWaalsContact O-N 3.15Å; E133-G136 PolarHBondContact O-N 2.99Å; E133-S137 WeakPolarHBondContact CB-OG 3.4Å; E133-S137 PolarHBondContact N-O 3.47Å; E133-N139 PolarHBondContact OE1-ND2 3.05Å
134	A	96.8	Very high	97.5	Very high	113 Å²	113	41.4 Å²	41.4	93%	0.934	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.1	-179.2	0	0	0	0	0	114.1	G136	A134-G136 VanDerWaalsContact C-N 3.27Å
135	D	94.1	Very high	97.5	Very high	87 Å²	87	39.8 Å²	39.8	47%	0.465	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	0.7	176.4	79.5	-38.8	0	0	0	113.5	E133 S137 R148	E133-D135 VanDerWaalsContact CB-OD1 3.27Å; E133-D135 WeakPolarHBondContact CB-OD1 3.28Å; E133-D135 PolarHBondContact O-N 3.19Å; E133-D135 VanDerWaalsContact O-N 3.15Å; D135-S137 VanDerWaalsContact C-N 3.34Å; D135-S137 WeakPolarHBondContact OD1-CB 3.42Å; D135-S137 PolarHBondContact OD1-N 3.07Å; D135-S137 PolarHBondContact OD1-OG 3.45Å; D135-S137 PolarHBondContact OD2-OG 3.46Å; D135-R148 IonicContact OD1-NH2 3.64Å; D135-R148 PolarHBondContact OD1-NH2 3.08Å; D135-R148 IonicContact OD2-CZ 2.7Å; D135-R148 IonicContact OD2-NE 2.88Å; D135-R148 PolarHBondContact OD2-NE 3.36Å; D135-R148 IonicContact OD2-NH2 3.05Å; D135-R148 PolarHBondContact OD2-NH2 3.27Å
136	G	93.9	Very high	97.5	Very high	62 Å²	62	39.5 Å²	39.5	64%	0.639	24%	0.235	S	C	*	.	S	Bend	trans	85	0.5	-177.7	0	0	0	0	0	114.8	E133 A134	E133-G136 PolarHBondContact O-N 2.99Å; A134-G136 VanDerWaalsContact C-N 3.27Å
137	S	96.7	Very high	97.5	Very high	8 Å²	8	37.6 Å²	37.6	6%	0.056	23%	0.225	C	C	.	.			trans	-72.6	163.3	167	69.1	0	0	0	0	111.1	E133 D135 N146 R148	E133-S137 WeakPolarHBondContact CB-OG 3.4Å; E133-S137 PolarHBondContact N-O 3.47Å; D135-S137 VanDerWaalsContact C-N 3.34Å; D135-S137 WeakPolarHBondContact OD1-CB 3.42Å; D135-S137 PolarHBondContact OD1-N 3.07Å; D135-S137 PolarHBondContact OD1-OG 3.45Å; D135-S137 PolarHBondContact OD2-OG 3.46Å; S137-N146 PolarHBondContact OG-ND2 2.97Å; S137-R148 PolarHBondContact OG-NH2 3.02Å
138	T	98	Very high	97.5	Very high	8 Å²	8	44.3 Å²	44.3	5%	0.049	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.7	-179.2	62.7	0	0	0	0	110.4	L130 D131 Y132 N140 N146 S147 N153	L130-T138 HydrophobicContact CD1-CG2 4.39Å; D131-T138 CarbonylContact O-C 3.59Å; D131-T138 VanDerWaalsContact O-CA 3.25Å; D131-T138 WeakPolarHBondContact O-CA 3.4Å; Y132-T138 HydrophobicContact CD1-CG2 3.7Å; Y132-T138 HydrophobicContact CE1-CG2 3.8Å; T138-N140 PolarHBondContact O-ND2 2.88Å; T138-N140 PolarHBondContact OG1-ND2 3.12Å; T138-N140 VanDerWaalsContact OG1-ND2 3.15Å; T138-N140 PolarHBondContact OG1-OD1 3Å; T138-N146 CarbonylContact O-C 3.51Å; T138-N146 VanDerWaalsContact O-CA 3.28Å; T138-N146 WeakPolarHBondContact O-CA 3.41Å; T138-S147 PolarHBondContact N-OG 3.37Å; T138-S147 PolarHBondContact O-N 3.15Å; T138-S147 PolarHBondContact O-OG 2.86Å; T138-S147 PolarHBondContact OG1-OG 3.49Å; T138-S147 VanDerWaalsContact OG1-OG 3.11Å; T138-N153 PolarHBondContact OG1-ND2 3.28Å
139	N	98.4	Very high	97.5	Very high	19 Å²	19	47.4 Å²	47.4	10%	0.102	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.9	170.2	-62.2	-44.9	0	0	0	108.6	L130 D131 E133 Q144 N146	L130-N139 WeakPolarHBondContact CA-O 3.39Å; D131-N139 HydrophobicContact CB-CB 4.22Å; D131-N139 PolarHBondContact N-O 3.26Å; D131-N139 PolarHBondContact O-N 2.96Å; D131-N139 PolarHBondContact OD2-ND2 3.41Å; E133-N139 PolarHBondContact OE1-ND2 3.05Å; N139-Q144 HydrophobicContact CB-CB 3.96Å; N139-Q144 HydrophobicContact CB-CG 4.42Å; N139-Q144 PolarHBondContact O-NE2 3.17Å; N139-Q144 PolarHBondContact O-OE1 3.47Å; N139-N146 WeakPolarHBondContact OD1-CB 3.5Å; N139-N146 PolarHBondContact OD1-ND2 3.25Å
140	N	98.5	Very high	97.5	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.8	-163.7	-47.4	-91.7	0	0	0	111.7	L130 T138 Q144 I145 C166 L169 L170	L130-N140 VanDerWaalsContact CD1-OD1 3.26Å; L130-N140 WeakPolarHBondContact CD1-OD1 3.34Å; T138-N140 PolarHBondContact O-ND2 2.88Å; T138-N140 PolarHBondContact OG1-ND2 3.12Å; T138-N140 VanDerWaalsContact OG1-ND2 3.15Å; T138-N140 PolarHBondContact OG1-OD1 3Å; N140-Q144 WeakPolarHBondContact O-CA 3.34Å; N140-Q144 PolarHBondContact O-N 3.05Å; N140-I145 PolarHBondContact N-O 3.2Å; N140-I145 PolarHBondContact ND2-O 2.93Å; N140-I145 PolarHBondContact O-N 3.44Å; N140-C166 HydrophobicContact CB-CB 4.34Å; N140-L169 HydrophobicContact CB-CB 4.15Å; N140-L169 HydrophobicContact CB-CD1 4.2Å; N140-L170 HydrophobicContact CB-CD2 4.11Å
141	G	98.2	Very high	97.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-168.5	168.5	0	0	0	0	0	114.7	A127 A129 F143 Q144 L169	A127-G141 WeakPolarHBondContact O-CA 3.28Å; A129-G141 PolarHBondContact O-N 3.16Å; G141-F143 PolarHBondContact O-N 2.96Å; G141-F143 VanDerWaalsContact O-N 3.15Å; G141-Q144 PolarHBondContact O-N 3.22Å; G141-Q144 PolarHBondContact O-NE2 3.35Å; G141-L169 VanDerWaalsContact CA-O 3.32Å; G141-L169 WeakPolarHBondContact CA-O 3.33Å
142	I	98.5	Very high	97.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.2	-171.5	-156.2	171.1	0	0	0	114.1	Y90 L95 A119 T122 S123 L174 T177	Y90-I142 HydrophobicContact CD2-CD1 3.96Å; L95-I142 HydrophobicContact CD1-CD1 3.58Å; L95-I142 HydrophobicContact CD2-CD1 3.83Å; L95-I142 HydrophobicContact CG-CD1 4.37Å; A119-I142 HydrophobicContact CB-CD1 4.37Å; A119-I142 HydrophobicContact CB-CG1 4.1Å; T122-I142 PolarHBondContact OG1-O 3.04Å; S123-I142 WeakPolarHBondContact CB-O 3.36Å; S123-I142 WeakPolarHBondContact OG-CA 3.4Å; S123-I142 WeakPolarHBondContact OG-CG1 3.27Å; S123-I142 PolarHBondContact OG-O 2.84Å; I142-L174 HydrophobicContact CB-CD2 4.32Å; I142-L174 HydrophobicContact CD1-CD1 4.08Å; I142-L174 HydrophobicContact CD1-CD2 4.46Å; I142-L174 HydrophobicContact CG2-CD1 4.46Å; I142-L174 HydrophobicContact CG2-CD2 3.93Å; I142-T177 HydrophobicContact CG2-CG2 3.85Å
143	F	98.8	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	10.2	177.3	-60.3	-48.4	0	0	0	112.9	L99 W115 L118 A119 G141 I145 T177 V178 A181 W194	L99-F143 HydrophobicContact CD1-CZ 4.17Å; L99-F143 HydrophobicContact CD2-CZ 3.97Å; W115-F143 HydrophobicContact CE3-CE1 4.46Å; W115-F143 HydrophobicContact CE3-CZ 4.2Å; L118-F143 HydrophobicContact CD2-CD1 3.83Å; L118-F143 HydrophobicContact CD2-CE1 4.26Å; L118-F143 HydrophobicContact CD2-CG 4.44Å; L118-F143 HydrophobicContact CG-CD1 4Å; L118-F143 HydrophobicContact CG-CE1 4.49Å; A119-F143 HydrophobicContact CB-CD1 4.18Å; A119-F143 HydrophobicContact CB-CE1 3.85Å; G141-F143 PolarHBondContact O-N 2.96Å; G141-F143 VanDerWaalsContact O-N 3.15Å; F143-I145 VanDerWaalsContact C-N 3.33Å; F143-I145 HydrophobicContact CB-CD1 4.5Å; F143-I145 HydrophobicContact CB-CG1 4.18Å; F143-I145 PolarHBondContact O-N 3.01Å; F143-T177 HydrophobicContact CD2-CG2 3.71Å; F143-T177 HydrophobicContact CE2-CG2 4.3Å; F143-V178 HydrophobicContact CE2-CG2 4.39Å; F143-A181 HydrophobicContact CD2-CB 3.67Å; F143-A181 HydrophobicContact CE2-CB 3.96Å; F143-W194 PolarHBondContact O-NE1 3.42Å
144	Q	98.7	Very high	97.1	Very high	26 Å²	26	38.6 Å²	38.6	12%	0.121	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	49.7	176.7	-71.9	-62.3	-79.1	0	0	113.4	T122 A129 N139 N140 G141 N146	T122-Q144 HydrophobicContact CG2-CB 4.31Å; T122-Q144 WeakPolarHBondContact O-CG 3.36Å; A129-Q144 PolarHBondContact O-NE2 3.36Å; A129-Q144 VanDerWaalsContact O-NE2 3.13Å; N139-Q144 HydrophobicContact CB-CB 3.96Å; N139-Q144 HydrophobicContact CB-CG 4.42Å; N139-Q144 PolarHBondContact O-NE2 3.17Å; N139-Q144 PolarHBondContact O-OE1 3.47Å; N140-Q144 WeakPolarHBondContact O-CA 3.34Å; N140-Q144 PolarHBondContact O-N 3.05Å; G141-Q144 PolarHBondContact O-N 3.22Å; G141-Q144 PolarHBondContact O-NE2 3.35Å; Q144-N146 PolarHBondContact O-N 3.41Å
145	I	98.7	Very high	96.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	124.9	-176.8	-66.8	173.2	0	0	0	109.7	N140 F143 W150 L169 T177 C180 A181 I184	N140-I145 PolarHBondContact N-O 3.2Å; N140-I145 PolarHBondContact ND2-O 2.93Å; N140-I145 PolarHBondContact O-N 3.44Å; F143-I145 VanDerWaalsContact C-N 3.33Å; F143-I145 HydrophobicContact CB-CD1 4.5Å; F143-I145 HydrophobicContact CB-CG1 4.18Å; F143-I145 PolarHBondContact O-N 3.01Å; I145-W150 HydrophobicContact CG2-CB 3.39Å; I145-W150 HydrophobicContact CG2-CG 3.86Å; I145-L169 HydrophobicContact CB-CD1 3.93Å; I145-L169 HydrophobicContact CD1-CD1 4.47Å; I145-L169 HydrophobicContact CD1-CD2 4.32Å; I145-L169 HydrophobicContact CG2-CD1 3.86Å; I145-T177 HydrophobicContact CD1-CG2 4.39Å; I145-C180 HydrophobicContact CD1-CB 4Å; I145-A181 HydrophobicContact CD1-CB 4.45Å; I145-I184 HydrophobicContact CB-CD1 4.44Å; I145-I184 HydrophobicContact CD1-CD1 3.97Å; I145-I184 HydrophobicContact CG1-CD1 3.82Å; I145-I184 HydrophobicContact CG2-CD1 3.91Å
146	N	98.3	Very high	96.2	Very high	14 Å²	14	37.4 Å²	37.4	8%	0.075	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	133.9	-168.8	-171.7	-76.6	0	0	0	114.1	S137 T138 N139 Q144 R148 R149 W150	S137-N146 PolarHBondContact OG-ND2 2.97Å; T138-N146 CarbonylContact O-C 3.51Å; T138-N146 VanDerWaalsContact O-CA 3.28Å; T138-N146 WeakPolarHBondContact O-CA 3.41Å; N139-N146 WeakPolarHBondContact OD1-CB 3.5Å; N139-N146 PolarHBondContact OD1-ND2 3.25Å; Q144-N146 PolarHBondContact O-N 3.41Å; N146-R148 VanDerWaalsContact C-N 3.28Å; N146-R148 PolarHBondContact O-N 2.77Å; N146-R148 WeakPolarHBondContact OD1-CA 3.38Å; N146-R148 WeakPolarHBondContact OD1-CB 3.45Å; N146-R148 PolarHBondContact OD1-N 2.88Å; N146-R149 PolarHBondContact O-N 3.31Å; N146-W150 PolarHBondContact O-N 3.4Å; N146-W150 VanDerWaalsContact O-N 3.13Å
147	S	98.1	Very high	96	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.063	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-7.5	-178.2	65.2	0	0	0	0	114.9	T138 R149 V158 C166	T138-S147 PolarHBondContact N-OG 3.37Å; T138-S147 PolarHBondContact O-N 3.15Å; T138-S147 PolarHBondContact O-OG 2.86Å; T138-S147 PolarHBondContact OG1-OG 3.49Å; T138-S147 VanDerWaalsContact OG1-OG 3.11Å; S147-R149 PolarHBondContact O-N 2.03Å; S147-V158 WeakPolarHBondContact O-CG1 3.4Å; S147-C166 WeakPolarHBondContact CB-SG 3.49Å
148	R	96.8	Very high	95.8	Very high	141 Å²	141	43.8 Å²	43.8	53%	0.532	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.6	171.7	-166.9	-174.3	-66.4	152.6	7.3	112.1	D135 S137 N146	D135-R148 IonicContact OD1-NH2 3.64Å; D135-R148 PolarHBondContact OD1-NH2 3.08Å; D135-R148 IonicContact OD2-CZ 2.7Å; D135-R148 IonicContact OD2-NE 2.88Å; D135-R148 PolarHBondContact OD2-NE 3.36Å; D135-R148 IonicContact OD2-NH2 3.05Å; D135-R148 PolarHBondContact OD2-NH2 3.27Å; S137-R148 PolarHBondContact OG-NH2 3.02Å; N146-R148 VanDerWaalsContact C-N 3.28Å; N146-R148 PolarHBondContact O-N 2.77Å; N146-R148 WeakPolarHBondContact OD1-CA 3.38Å; N146-R148 WeakPolarHBondContact OD1-CB 3.45Å; N146-R148 PolarHBondContact OD1-N 2.88Å
149	R	97.6	Very high	95.7	Very high	102 Å²	102	47.6 Å²	47.6	39%	0.385	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-42	-176.1	-177.2	171.6	173.7	159.4	-6.1	114.7	N146 S147 N160 V161 E187	N146-R149 PolarHBondContact O-N 3.31Å; S147-R149 PolarHBondContact O-N 2.03Å; R149-N160 PolarHBondContact O-N 2.96Å; R149-N160 VanDerWaalsContact O-N 3.16Å; R149-V161 HydrophobicContact CG-CG2 3.93Å; R149-V161 PolarHBondContact O-N 2.95Å; R149-E187 IonicContact CZ-OE1 3.09Å; R149-E187 IonicContact NH2-OE1 2.69Å; R149-E187 PolarHBondContact NH2-OE1 2.96Å; R149-E187 IonicContact NH2-OE2 3.04Å; R149-E187 PolarHBondContact NH2-OE2 3.49Å
150	W	98.5	Very high	95.7	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	26%	0.256	C	S	.	.	S	Bend	trans	-94.5	-40.2	-158.8	-61.9	108.8	0	0	0	114.6	I145 N146 N160 V161 C162 I184 E187 Y193	I145-W150 HydrophobicContact CG2-CB 3.39Å; I145-W150 HydrophobicContact CG2-CG 3.86Å; N146-W150 PolarHBondContact O-N 3.4Å; N146-W150 VanDerWaalsContact O-N 3.13Å; W150-N160 CarbonylContact O-C 3.55Å; W150-N160 PolarHBondContact O-OD1 3.42Å; W150-V161 HydrophobicContact CE3-CB 3.72Å; W150-V161 HydrophobicContact CE3-CG1 3.88Å; W150-V161 HydrophobicContact CE3-CG2 4.47Å; W150-V161 HydrophobicContact CZ3-CB 3.92Å; W150-V161 HydrophobicContact CZ3-CG1 3.59Å; W150-V161 PolarHBondContact O-N 3.32Å; W150-C162 VanDerWaalsContact O-CB 3.25Å; W150-C162 WeakPolarHBondContact O-CB 3.26Å; W150-C162 PolarHBondContact O-N 3.41Å; W150-I184 HydrophobicContact CD2-CD1 3.83Å; W150-I184 HydrophobicContact CD2-CG1 3.48Å; W150-I184 VanDerWaalsContact CD2-CG1 3.48Å; W150-I184 HydrophobicContact CE3-CD1 4.26Å; W150-I184 HydrophobicContact CE3-CG1 3.51Å; W150-I184 HydrophobicContact CG-CD1 3.95Å; W150-I184 HydrophobicContact CG-CG1 4.15Å; W150-I184 HydrophobicContact CH2-CB 4.14Å; W150-I184 HydrophobicContact CH2-CG1 3.75Å; W150-I184 HydrophobicContact CH2-CG2 4.26Å; W150-I184 HydrophobicContact CZ2-CB 4.18Å; W150-I184 HydrophobicContact CZ2-CG1 3.72Å; W150-I184 HydrophobicContact CZ2-CG2 3.9Å; W150-I184 HydrophobicContact CZ3-CB 4.37Å; W150-I184 HydrophobicContact CZ3-CG1 3.64Å; W150-E187 HydrophobicContact CH2-CG 3.75Å; W150-E187 HydrophobicContact CZ2-CG 4.44Å; W150-Y193 HydrophobicContact CZ2-CE2 4.32Å; W150-Y193 AromaticContact NE1-CE1 3.52Å; W150-Y193 AromaticContact NE1-CE2 3.84Å; W150-Y193 AromaticContact NE1-CZ 3.14Å; W150-Y193 PolarHBondContact NE1-OH 3.23Å
151	C	98.3	Very high	95.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-127.9	167	179.5	62	0	0	0	0	110	N160 M164 C166 L169	C151-N160 WeakPolarHBondContact CA-OD1 3.24Å; C151-M164 HydrophobicContact CB-CG 4.23Å; C151-C166 HydrophobicContact CB-CB 3.92Å; C151-C166 WeakPolarHBondContact CB-SG 3.33Å; C151-C166 WeakPolarHBondContact SG-CA 3.31Å; C151-C166 WeakPolarHBondContact SG-CB 3.31Å; C151-C166 CovalentContact SG-SG 2.04Å; C151-C166 PolarHBondContact SG-SG 3.38Å; C151-L169 HydrophobicContact CB-CD1 3.87Å
152	S	97	Very high	95.7	Very high	15 Å²	15	51.2 Å²	51.2	11%	0.105	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-113.2	139.1	177.1	-176.3	0	0	0	0	112.3	L154 M164 Y165 C166	S152-L154 VanDerWaalsContact C-N 3.35Å; S152-L154 PolarHBondContact OG-N 3.13Å; S152-L154 VanDerWaalsContact OG-N 3.09Å; S152-M164 PolarHBondContact N-O 3.31Å; S152-Y165 WeakPolarHBondContact O-CA 3.48Å; S152-C166 PolarHBondContact O-N 2.88Å
153	N	94.7	Very high	95.6	Very high	68 Å²	68	61.5 Å²	61.5	36%	0.364	31%	0.311	S	S	.	.	S	Bend	trans	-98.8	31.4	166	-76.4	-36.1	0	0	0	111.7	T138 T155 C166	T138-N153 PolarHBondContact OG1-ND2 3.28Å; N153-T155 PolarHBondContact O-N 3.45Å; N153-C166 WeakPolarHBondContact OD1-CB 3.43Å
154	L	91.3	Very high	95.5	Very high	135 Å²	135	62.6 Å²	62.6	71%	0.707	32%	0.317	S	S	*	.	S	Bend	trans	65.4	10	-168.9	-54.5	163	0	0	0	114	S152 Y165	S152-L154 VanDerWaalsContact C-N 3.35Å; S152-L154 PolarHBondContact OG-N 3.13Å; S152-L154 VanDerWaalsContact OG-N 3.09Å; L154-Y165 HydrophobicContact CD2-CD1 4.27Å; L154-Y165 HydrophobicContact CD2-CE1 3.35Å; L154-Y165 HydrophobicContact CG-CD1 4.48Å; L154-Y165 HydrophobicContact CG-CE1 4.01Å
155	T	85.7	Confident	95.5	Very high	76 Å²	76	67.1 Å²	67.1	47%	0.466	33%	0.334	S	S	.	.			trans	-69.4	127.9	172.7	-46.1	0	0	0	0	109.9	N153 V158	N153-T155 PolarHBondContact O-N 3.45Å; T155-V158 HydrophobicContact CG2-CG2 4.15Å
156	P	86.4	Confident	95.4	Very high	98 Å²	98	67.1 Å²	67.1	64%	0.636	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	154.5	176.4	27.8	-34.2	0	0	0	111	V158	P156-V158 VanDerWaalsContact C-N 3.26Å; P156-V158 PolarHBondContact O-N 2.79Å
157	N	88.6	Confident	95.3	Very high	169 Å²	169	69.9 Å²	69.9	90%	0.904	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	17.8	173.5	-49.4	-40.9	0	0	0	116.3
158	V	92.7	Very high	95.3	Very high	36 Å²	36	72 Å²	72	22%	0.218	37%	0.365	C	S	.	.			trans	-84.2	135.3	168.5	173.5	0	0	0	0	109.8	S147 T155 P156 N160	S147-V158 WeakPolarHBondContact O-CG1 3.4Å; T155-V158 HydrophobicContact CG2-CG2 4.15Å; P156-V158 VanDerWaalsContact C-N 3.26Å; P156-V158 PolarHBondContact O-N 2.79Å; V158-N160 PolarHBondContact O-N 2.67Å; V158-N160 VanDerWaalsContact O-N 3.16Å
159	P	96.7	Very high	95.3	Very high	88 Å²	88	65.3 Å²	65.3	57%	0.571	34%	0.34	S	S	*	.			trans	-56.2	-32	-179.3	-28.3	35.4	0	0	0	115	V161	P159-V161 VanDerWaalsContact C-N 3.32Å; P159-V161 HydrophobicContact CB-CG2 3.98Å; P159-V161 PolarHBondContact O-N 2.87Å
160	N	97.4	Very high	95.3	Very high	40 Å²	40	62.7 Å²	62.7	21%	0.214	33%	0.333	C	S	.	.			trans	46.1	54.2	-179.3	-170.9	12.8	0	0	0	112	R149 W150 C151 V158 C162 R163 M164	R149-N160 PolarHBondContact O-N 2.96Å; R149-N160 VanDerWaalsContact O-N 3.16Å; W150-N160 CarbonylContact O-C 3.55Å; W150-N160 PolarHBondContact O-OD1 3.42Å; C151-N160 WeakPolarHBondContact CA-OD1 3.24Å; V158-N160 PolarHBondContact O-N 2.67Å; V158-N160 VanDerWaalsContact O-N 3.16Å; N160-C162 VanDerWaalsContact C-N 3.26Å; N160-C162 PolarHBondContact O-N 2.97Å; N160-R163 WeakPolarHBondContact O-CA 3.35Å; N160-R163 PolarHBondContact O-N 3.2Å; N160-R163 WeakPolarHBondContact OD1-CA 3.44Å; N160-R163 PolarHBondContact OD1-N 3.31Å; N160-M164 PolarHBondContact OD1-N 3.2Å; N160-M164 PolarHBondContact OD1-O 3.3Å; N160-M164 VanDerWaalsContact OD1-O 3.07Å
161	V	98.2	Very high	95.1	Very high	36 Å²	36	66 Å²	66	22%	0.218	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-36.5	-170.3	175.8	0	0	0	0	112	R149 W150 P159 R163 K183	R149-V161 HydrophobicContact CG-CG2 3.93Å; R149-V161 PolarHBondContact O-N 2.95Å; W150-V161 HydrophobicContact CE3-CB 3.72Å; W150-V161 HydrophobicContact CE3-CG1 3.88Å; W150-V161 HydrophobicContact CE3-CG2 4.47Å; W150-V161 HydrophobicContact CZ3-CB 3.92Å; W150-V161 HydrophobicContact CZ3-CG1 3.59Å; W150-V161 PolarHBondContact O-N 3.32Å; P159-V161 VanDerWaalsContact C-N 3.32Å; P159-V161 HydrophobicContact CB-CG2 3.98Å; P159-V161 PolarHBondContact O-N 2.87Å; V161-R163 VanDerWaalsContact C-N 3.27Å; V161-R163 PolarHBondContact O-N 3.29Å; V161-K183 HydrophobicContact CG1-CD 4.1Å; V161-K183 WeakPolarHBondContact O-CE 3.25Å; V161-K183 PolarHBondContact O-NZ 2.93Å
162	C	98.4	Very high	95	Very high	21 Å²	21	68 Å²	68	14%	0.142	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-8.7	176.1	-64.3	0	0	0	0	113.7	W150 N160 M164 C180	W150-C162 VanDerWaalsContact O-CB 3.25Å; W150-C162 WeakPolarHBondContact O-CB 3.26Å; W150-C162 PolarHBondContact O-N 3.41Å; N160-C162 VanDerWaalsContact C-N 3.26Å; N160-C162 PolarHBondContact O-N 2.97Å; C162-M164 HydrophobicContact CB-CG 4.13Å; C162-M164 HydrophobicContact CB-SD 3.62Å; C162-C180 HydrophobicContact CB-CB 3.79Å; C162-C180 WeakPolarHBondContact CB-SG 3.42Å; C162-C180 WeakPolarHBondContact SG-CA 3.47Å; C162-C180 WeakPolarHBondContact SG-CB 3.47Å; C162-C180 CovalentContact SG-SG 2.04Å; C162-C180 PolarHBondContact SG-SG 2.86Å
163	R	97.3	Very high	94.9	Very high	216 Å²	216	71.7 Å²	71.7	82%	0.815	38%	0.382	S	S	*	.			trans	57.9	48.7	177.9	-56.8	-178	178.8	177.9	-0.9	113.1	N160 V161	N160-R163 WeakPolarHBondContact O-CA 3.35Å; N160-R163 PolarHBondContact O-N 3.2Å; N160-R163 WeakPolarHBondContact OD1-CA 3.44Å; N160-R163 PolarHBondContact OD1-N 3.31Å; V161-R163 VanDerWaalsContact C-N 3.27Å; V161-R163 PolarHBondContact O-N 3.29Å
164	M	97.1	Very high	95.1	Very high	24 Å²	24	68.5 Å²	68.5	12%	0.118	37%	0.365	C	S	.	.	S	Bend	trans	-148.1	165.7	-177.3	72.9	-156	-27.2	0	0	112.1	C151 S152 N160 C162 L169 D176 C180	C151-M164 HydrophobicContact CB-CG 4.23Å; S152-M164 PolarHBondContact N-O 3.31Å; N160-M164 PolarHBondContact OD1-N 3.2Å; N160-M164 PolarHBondContact OD1-O 3.3Å; N160-M164 VanDerWaalsContact OD1-O 3.07Å; C162-M164 HydrophobicContact CB-CG 4.13Å; C162-M164 HydrophobicContact CB-SD 3.62Å; M164-L169 HydrophobicContact SD-CD2 3.75Å; M164-L169 HydrophobicContact SD-CG 4.39Å; M164-D176 HydrophobicContact CE-CB 3.52Å; M164-C180 HydrophobicContact SD-CB 3.92Å
165	Y	97.3	Very high	95.4	Very high	121 Å²	121	67.7 Å²	67.7	48%	0.475	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-80.6	145.2	172.2	-67.2	-63.3	0	0	0	109.9	S152 L154 S167 D168	S152-Y165 WeakPolarHBondContact O-CA 3.48Å; L154-Y165 HydrophobicContact CD2-CD1 4.27Å; L154-Y165 HydrophobicContact CD2-CE1 3.35Å; L154-Y165 HydrophobicContact CG-CD1 4.48Å; L154-Y165 HydrophobicContact CG-CE1 4.01Å; Y165-S167 WeakPolarHBondContact CB-OG 3.35Å; Y165-S167 PolarHBondContact O-N 3.25Å; Y165-D168 PolarHBondContact N-OD2 3.29Å; Y165-D168 VanDerWaalsContact O-CB 3.31Å; Y165-D168 WeakPolarHBondContact O-CB 3.4Å; Y165-D168 PolarHBondContact O-N 3.35Å
166	C	97.9	Very high	95.9	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-65.6	-22.2	177.8	-57.3	0	0	0	0	112.6	N140 S147 C151 S152 N153 D168 L169	N140-C166 HydrophobicContact CB-CB 4.34Å; S147-C166 WeakPolarHBondContact CB-SG 3.49Å; C151-C166 HydrophobicContact CB-CB 3.92Å; C151-C166 WeakPolarHBondContact CB-SG 3.33Å; C151-C166 WeakPolarHBondContact SG-CA 3.31Å; C151-C166 WeakPolarHBondContact SG-CB 3.31Å; C151-C166 CovalentContact SG-SG 2.04Å; C151-C166 PolarHBondContact SG-SG 3.38Å; S152-C166 PolarHBondContact O-N 2.88Å; N153-C166 WeakPolarHBondContact OD1-CB 3.43Å; C166-D168 PolarHBondContact O-N 3.21Å; C166-L169 WeakPolarHBondContact O-CB 3.47Å; C166-L169 PolarHBondContact O-N 3.48Å
167	S	96.4	Very high	96.5	Very high	72 Å²	72	62.1 Å²	62.1	50%	0.503	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-61.2	-29.9	170.9	52.8	0	0	0	0	113.1	Y165 L169 L170	Y165-S167 WeakPolarHBondContact CB-OG 3.35Å; Y165-S167 PolarHBondContact O-N 3.25Å; S167-L169 PolarHBondContact O-N 3.17Å; S167-L170 WeakPolarHBondContact O-CB 3.32Å; S167-L170 PolarHBondContact O-N 3.17Å; S167-L170 VanDerWaalsContact O-N 3.17Å
168	D	96.7	Very high	97	Very high	54 Å²	54	54.1 Å²	54.1	29%	0.289	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-67.1	-28.4	179.4	-54.7	-30.2	0	0	0	110.7	Y165 C166 L170 N171	Y165-D168 PolarHBondContact N-OD2 3.29Å; Y165-D168 VanDerWaalsContact O-CB 3.31Å; Y165-D168 WeakPolarHBondContact O-CB 3.4Å; Y165-D168 PolarHBondContact O-N 3.35Å; C166-D168 PolarHBondContact O-N 3.21Å; D168-L170 PolarHBondContact O-N 3.22Å; D168-N171 WeakPolarHBondContact O-CB 3.39Å; D168-N171 PolarHBondContact O-N 2.7Å
169	L	97.9	Very high	97.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-75.5	-11.5	177.9	-57.2	174.7	0	0	0	113.6	N140 G141 I145 C151 M164 C166 S167 N171 T177 C180	N140-L169 HydrophobicContact CB-CB 4.15Å; N140-L169 HydrophobicContact CB-CD1 4.2Å; G141-L169 VanDerWaalsContact CA-O 3.32Å; G141-L169 WeakPolarHBondContact CA-O 3.33Å; I145-L169 HydrophobicContact CB-CD1 3.93Å; I145-L169 HydrophobicContact CD1-CD1 4.47Å; I145-L169 HydrophobicContact CD1-CD2 4.32Å; I145-L169 HydrophobicContact CG2-CD1 3.86Å; C151-L169 HydrophobicContact CB-CD1 3.87Å; M164-L169 HydrophobicContact SD-CD2 3.75Å; M164-L169 HydrophobicContact SD-CG 4.39Å; C166-L169 WeakPolarHBondContact O-CB 3.47Å; C166-L169 PolarHBondContact O-N 3.48Å; S167-L169 PolarHBondContact O-N 3.17Å; L169-N171 VanDerWaalsContact C-N 3.34Å; L169-T177 WeakPolarHBondContact CA-OG1 3.29Å; L169-T177 PolarHBondContact O-OG1 3.23Å; L169-C180 HydrophobicContact CD2-CB 4.18Å
170	L	97	Very high	97.4	Very high	47 Å²	47	52.6 Å²	52.6	25%	0.246	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-92.1	2.4	177.6	-53.8	179.7	0	0	0	112.4	A129 N140 S167 D168	A129-L170 WeakPolarHBondContact O-CD2 3.02Å; N140-L170 HydrophobicContact CB-CD2 4.11Å; S167-L170 WeakPolarHBondContact O-CB 3.32Å; S167-L170 PolarHBondContact O-N 3.17Å; S167-L170 VanDerWaalsContact O-N 3.17Å; D168-L170 PolarHBondContact O-N 3.22Å
171	N	94.7	Very high	97.4	Very high	71 Å²	71	50.7 Å²	50.7	38%	0.38	25%	0.25	S	S	.	.			trans	-70.6	136.1	-178	-164.4	-45.2	0	0	0	110.8	D168 L169 N173	D168-N171 WeakPolarHBondContact O-CB 3.39Å; D168-N171 PolarHBondContact O-N 2.7Å; L169-N171 VanDerWaalsContact C-N 3.34Å; N171-N173 PolarHBondContact O-N 3.03Å; N171-N173 VanDerWaalsContact O-N 3.16Å; N171-N173 WeakPolarHBondContact OD1-CB 3.48Å; N171-N173 PolarHBondContact OD1-N 3.06Å
172	P	95.1	Very high	97.5	Very high	41 Å²	41	51.1 Å²	51.1	27%	0.266	25%	0.25	S	S	.	.	S	Bend	trans	-61.2	-18.5	171.4	26.5	-37	0	0	0	113.3	K88 Y90	K88-P172 HydrophobicContact CB-CB 3.62Å; K88-P172 HydrophobicContact CD-CB 3.98Å; K88-P172 HydrophobicContact CG-CB 4.45Å; Y90-P172 PolarHBondContact OH-O 2.88Å
173	N	96.1	Very high	97.5	Very high	92 Å²	92	54 Å²	54	49%	0.492	26%	0.26	S	S	.	.	S	Bend	trans	-86.1	112.2	166.4	-175	-31.5	0	0	0	110	N171 K175	N171-N173 PolarHBondContact O-N 3.03Å; N171-N173 VanDerWaalsContact O-N 3.16Å; N171-N173 WeakPolarHBondContact OD1-CB 3.48Å; N171-N173 PolarHBondContact OD1-N 3.06Å; N173-K175 PolarHBondContact O-N 2.86Å; N173-K175 VanDerWaalsContact O-N 3.15Å; N173-K175 WeakPolarHBondContact OD1-CB 3.44Å; N173-K175 PolarHBondContact OD1-N 3.25Å; N173-K175 VanDerWaalsContact OD1-N 3.09Å
174	L	97.4	Very high	97.5	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	3.8	-172.7	-59.6	-179	0	0	0	115.4	Y90 L95 V98 L99 F102 A127 I142 D176 T177 V178	Y90-L174 HydrophobicContact CD2-CD1 4.39Å; Y90-L174 HydrophobicContact CE1-CD1 4.33Å; Y90-L174 HydrophobicContact CE2-CD1 3.72Å; Y90-L174 HydrophobicContact CE2-CD2 4Å; Y90-L174 HydrophobicContact CE2-CG 3.85Å; Y90-L174 WeakPolarHBondContact OH-CG 3.2Å; L95-L174 HydrophobicContact CD1-CD1 3.55Å; V98-L174 HydrophobicContact CG1-CD1 4.16Å; L99-L174 HydrophobicContact CD2-CD1 4.37Å; F102-L174 HydrophobicContact CE2-CB 4.11Å; A127-L174 HydrophobicContact CB-CD2 4.15Å; I142-L174 HydrophobicContact CB-CD2 4.32Å; I142-L174 HydrophobicContact CD1-CD1 4.08Å; I142-L174 HydrophobicContact CD1-CD2 4.46Å; I142-L174 HydrophobicContact CG2-CD1 4.46Å; I142-L174 HydrophobicContact CG2-CD2 3.93Å; L174-D176 PolarHBondContact O-N 3.46Å; L174-T177 PolarHBondContact O-N 3.07Å; L174-V178 HydrophobicContact CB-CG2 4.14Å; L174-V178 WeakPolarHBondContact O-CB 3.37Å; L174-V178 VanDerWaalsContact O-CG2 3.32Å; L174-V178 WeakPolarHBondContact O-CG2 3.35Å; L174-V178 PolarHBondContact O-N 2.04Å
175	K	98	Very high	97.6	Very high	118 Å²	118	42.5 Å²	42.5	51%	0.513	22%	0.216	S	C	.	.	H	α-helix	trans	-52.5	-52.6	-175.2	180	-179.5	177.7	-177.5	0	113.1	F102 N173 V178 I179	F102-K175 HydrophobicContact CE1-CB 3.9Å; F102-K175 HydrophobicContact CE1-CG 4.15Å; F102-K175 HydrophobicContact CZ-CB 3.89Å; N173-K175 PolarHBondContact O-N 2.86Å; N173-K175 VanDerWaalsContact O-N 3.15Å; N173-K175 WeakPolarHBondContact OD1-CB 3.44Å; N173-K175 PolarHBondContact OD1-N 3.25Å; N173-K175 VanDerWaalsContact OD1-N 3.09Å; K175-V178 PolarHBondContact O-N 2.83Å; K175-I179 HydrophobicContact CG-CD1 3.97Å; K175-I179 VanDerWaalsContact O-CG1 3.27Å; K175-I179 WeakPolarHBondContact O-CG1 3.31Å; K175-I179 PolarHBondContact O-N 2.94Å
176	D	97.7	Very high	97.6	Very high	57 Å²	57	42 Å²	42	31%	0.305	22%	0.217	S	C	.	.	H	α-helix	trans	-66.4	-40.8	-178.3	-74.5	-31.7	0	0	0	111.6	M164 L174 I179 C180	M164-D176 HydrophobicContact CE-CB 3.52Å; L174-D176 PolarHBondContact O-N 3.46Å; D176-I179 PolarHBondContact O-N 2.97Å; D176-C180 PolarHBondContact O-N 3.02Å
177	T	98.4	Very high	97.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-43.8	176.1	-56.3	0	0	0	0	112.4	I142 F143 I145 L169 L174 C180 A181	I142-T177 HydrophobicContact CG2-CG2 3.85Å; F143-T177 HydrophobicContact CD2-CG2 3.71Å; F143-T177 HydrophobicContact CE2-CG2 4.3Å; I145-T177 HydrophobicContact CD1-CG2 4.39Å; L169-T177 WeakPolarHBondContact CA-OG1 3.29Å; L169-T177 PolarHBondContact O-OG1 3.23Å; L174-T177 PolarHBondContact O-N 3.07Å; T177-C180 PolarHBondContact O-N 2.86Å; T177-A181 WeakPolarHBondContact O-CB 3.47Å; T177-A181 PolarHBondContact O-N 3.35Å
178	V	98.6	Very high	97.7	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-67.7	-44.5	177.8	171.7	0	0	0	0	111	L99 F102 L104 F143 L174 K175 C180 A181 M182	L99-V178 HydrophobicContact CD2-CG2 3.86Å; F102-V178 HydrophobicContact CB-CG1 3.78Å; F102-V178 HydrophobicContact CD2-CB 4.34Å; F102-V178 HydrophobicContact CD2-CG1 4.48Å; F102-V178 HydrophobicContact CD2-CG2 3.79Å; F102-V178 HydrophobicContact CE2-CG2 4.23Å; F102-V178 HydrophobicContact CG-CB 4.3Å; F102-V178 HydrophobicContact CG-CG1 4.07Å; F102-V178 HydrophobicContact CG-CG2 4.2Å; L104-V178 HydrophobicContact CD1-CG1 3.92Å; L104-V178 HydrophobicContact CD1-CG2 4.32Å; L104-V178 HydrophobicContact CD2-CG1 3.96Å; L104-V178 HydrophobicContact CG-CG1 3.97Å; F143-V178 HydrophobicContact CE2-CG2 4.39Å; L174-V178 HydrophobicContact CB-CG2 4.14Å; L174-V178 WeakPolarHBondContact O-CB 3.37Å; L174-V178 VanDerWaalsContact O-CG2 3.32Å; L174-V178 WeakPolarHBondContact O-CG2 3.35Å; L174-V178 PolarHBondContact O-N 2.04Å; K175-V178 PolarHBondContact O-N 2.83Å; V178-C180 VanDerWaalsContact C-N 3.3Å; V178-C180 PolarHBondContact O-N 2.97Å; V178-A181 PolarHBondContact O-N 3.31Å; V178-M182 HydrophobicContact CG1-CG 4.21Å; V178-M182 HydrophobicContact CG1-SD 3.94Å; V178-M182 WeakPolarHBondContact O-CB 3.42Å; V178-M182 VanDerWaalsContact O-CG 3.27Å; V178-M182 WeakPolarHBondContact O-CG 3.38Å; V178-M182 PolarHBondContact O-N 3.27Å
179	I	98.5	Very high	97.7	Very high	91 Å²	91	51.2 Å²	51.2	47%	0.467	26%	0.262	S	S	.	.	H	α-helix	trans	-57.7	-44.6	176.4	-71	166.7	0	0	0	110.9	K175 D176 M182 K183	K175-I179 HydrophobicContact CG-CD1 3.97Å; K175-I179 VanDerWaalsContact O-CG1 3.27Å; K175-I179 WeakPolarHBondContact O-CG1 3.31Å; K175-I179 PolarHBondContact O-N 2.94Å; D176-I179 PolarHBondContact O-N 2.97Å; I179-M182 PolarHBondContact O-N 2.9Å; I179-K183 PolarHBondContact O-N 3.05Å; I179-K183 VanDerWaalsContact O-N 3.12Å
180	C	98.7	Very high	97.7	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.007	27%	0.265	C	S	.	.	H	α-helix	trans	-67.2	-42.2	178.1	-172	0	0	0	0	111.7	I145 C162 M164 L169 D176 T177 V178 M182 K183 I184	I145-C180 HydrophobicContact CD1-CB 4Å; C162-C180 HydrophobicContact CB-CB 3.79Å; C162-C180 WeakPolarHBondContact CB-SG 3.42Å; C162-C180 WeakPolarHBondContact SG-CA 3.47Å; C162-C180 WeakPolarHBondContact SG-CB 3.47Å; C162-C180 CovalentContact SG-SG 2.04Å; C162-C180 PolarHBondContact SG-SG 2.86Å; M164-C180 HydrophobicContact SD-CB 3.92Å; L169-C180 HydrophobicContact CD2-CB 4.18Å; D176-C180 PolarHBondContact O-N 3.02Å; T177-C180 PolarHBondContact O-N 2.86Å; V178-C180 VanDerWaalsContact C-N 3.3Å; V178-C180 PolarHBondContact O-N 2.97Å; C180-M182 PolarHBondContact O-N 3.48Å; C180-K183 WeakPolarHBondContact O-CA 3.1Å; C180-K183 WeakPolarHBondContact O-CB 3.05Å; C180-K183 PolarHBondContact O-N 3.1Å; C180-I184 VanDerWaalsContact O-CG1 3.31Å; C180-I184 WeakPolarHBondContact O-CG1 3.49Å; C180-I184 PolarHBondContact O-N 2.99Å
181	A	98.7	Very high	97.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-38.5	176.2	0	0	0	0	0	113.2	W115 F143 I145 T177 V178 K183 I184 T185 W194	W115-A181 HydrophobicContact CZ3-CB 4.02Å; F143-A181 HydrophobicContact CD2-CB 3.67Å; F143-A181 HydrophobicContact CE2-CB 3.96Å; I145-A181 HydrophobicContact CD1-CB 4.45Å; T177-A181 WeakPolarHBondContact O-CB 3.47Å; T177-A181 PolarHBondContact O-N 3.35Å; V178-A181 PolarHBondContact O-N 3.31Å; A181-K183 VanDerWaalsContact C-N 3.27Å; A181-K183 PolarHBondContact O-N 3.25Å; A181-I184 PolarHBondContact O-N 3.11Å; A181-T185 PolarHBondContact O-N 3.43Å; A181-T185 PolarHBondContact O-OG1 3.12Å; A181-W194 HydrophobicContact CB-CH2 4.35Å; A181-W194 HydrophobicContact CB-CZ2 4.41Å
182	M	98.7	Very high	98	Very high	44 Å²	44	46.3 Å²	46.3	22%	0.217	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-35.7	171.3	-71.3	174.5	84.6	0	0	111.9	L104 Y107 V178 I179 C180 T185 Q186	L104-M182 HydrophobicContact CD2-CG 3.53Å; L104-M182 HydrophobicContact CD2-SD 4.07Å; Y107-M182 HydrophobicContact CD1-CG 4.28Å; Y107-M182 HydrophobicContact CD2-CE 3.57Å; Y107-M182 HydrophobicContact CE1-CB 3.84Å; Y107-M182 HydrophobicContact CE1-CE 4.36Å; Y107-M182 HydrophobicContact CE1-CG 3.94Å; Y107-M182 HydrophobicContact CE2-CE 3.26Å; Y107-M182 HydrophobicContact CE2-CG 4.5Å; Y107-M182 HydrophobicContact CG-CE 4.25Å; Y107-M182 PolarHBondContact OH-O 2.94Å; V178-M182 HydrophobicContact CG1-CG 4.21Å; V178-M182 HydrophobicContact CG1-SD 3.94Å; V178-M182 WeakPolarHBondContact O-CB 3.42Å; V178-M182 VanDerWaalsContact O-CG 3.27Å; V178-M182 WeakPolarHBondContact O-CG 3.38Å; V178-M182 PolarHBondContact O-N 3.27Å; I179-M182 PolarHBondContact O-N 2.9Å; C180-M182 PolarHBondContact O-N 3.48Å; M182-T185 WeakPolarHBondContact CA-OG1 3.45Å; M182-T185 PolarHBondContact O-OG1 3.29Å; M182-T185 VanDerWaalsContact O-OG1 3.05Å; M182-Q186 WeakPolarHBondContact O-CG 3.27Å; M182-Q186 PolarHBondContact O-NE2 3.44Å; M182-Q186 VanDerWaalsContact O-NE2 3.07Å
183	K	98.5	Very high	98.1	Very high	81 Å²	81	47.6 Å²	47.6	35%	0.352	24%	0.24	S	C	.	.	H	α-helix	trans	-69.7	-42.3	175.1	-169.2	171.6	-170.8	170.7	0	112.1	V161 I179 C180 A181 T185 Q186	V161-K183 HydrophobicContact CG1-CD 4.1Å; V161-K183 WeakPolarHBondContact O-CE 3.25Å; V161-K183 PolarHBondContact O-NZ 2.93Å; I179-K183 PolarHBondContact O-N 3.05Å; I179-K183 VanDerWaalsContact O-N 3.12Å; C180-K183 WeakPolarHBondContact O-CA 3.1Å; C180-K183 WeakPolarHBondContact O-CB 3.05Å; C180-K183 PolarHBondContact O-N 3.1Å; A181-K183 VanDerWaalsContact C-N 3.27Å; A181-K183 PolarHBondContact O-N 3.25Å; K183-T185 VanDerWaalsContact C-N 3.33Å; K183-T185 PolarHBondContact O-N 3.23Å; K183-Q186 WeakPolarHBondContact O-CB 3.37Å; K183-Q186 PolarHBondContact O-N 2.04Å
184	I	98.7	Very high	98.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.3	-44.6	177.2	-63.9	168.9	0	0	0	110.7	I145 W150 C180 A181 Q186 E187 Y193 W194	I145-I184 HydrophobicContact CB-CD1 4.44Å; I145-I184 HydrophobicContact CD1-CD1 3.97Å; I145-I184 HydrophobicContact CG1-CD1 3.82Å; I145-I184 HydrophobicContact CG2-CD1 3.91Å; W150-I184 HydrophobicContact CD2-CD1 3.83Å; W150-I184 HydrophobicContact CD2-CG1 3.48Å; W150-I184 VanDerWaalsContact CD2-CG1 3.48Å; W150-I184 HydrophobicContact CE3-CD1 4.26Å; W150-I184 HydrophobicContact CE3-CG1 3.51Å; W150-I184 HydrophobicContact CG-CD1 3.95Å; W150-I184 HydrophobicContact CG-CG1 4.15Å; W150-I184 HydrophobicContact CH2-CB 4.14Å; W150-I184 HydrophobicContact CH2-CG1 3.75Å; W150-I184 HydrophobicContact CH2-CG2 4.26Å; W150-I184 HydrophobicContact CZ2-CB 4.18Å; W150-I184 HydrophobicContact CZ2-CG1 3.72Å; W150-I184 HydrophobicContact CZ2-CG2 3.9Å; W150-I184 HydrophobicContact CZ3-CB 4.37Å; W150-I184 HydrophobicContact CZ3-CG1 3.64Å; C180-I184 VanDerWaalsContact O-CG1 3.31Å; C180-I184 WeakPolarHBondContact O-CG1 3.49Å; C180-I184 PolarHBondContact O-N 2.99Å; A181-I184 PolarHBondContact O-N 3.11Å; I184-Q186 PolarHBondContact O-N 3.15Å; I184-Q186 VanDerWaalsContact O-N 3.16Å; I184-E187 VanDerWaalsContact O-CB 3.27Å; I184-E187 WeakPolarHBondContact O-CB 3.29Å; I184-E187 WeakPolarHBondContact O-CG 3.39Å; I184-E187 PolarHBondContact O-N 2.86Å; I184-Y193 HydrophobicContact CG2-CD1 3.42Å; I184-Y193 VanDerWaalsContact CG2-CD1 3.42Å; I184-Y193 HydrophobicContact CG2-CE1 4.04Å; I184-Y193 HydrophobicContact CG2-CG 3.71Å; I184-W194 HydrophobicContact CB-CH2 3.61Å; I184-W194 HydrophobicContact CB-CZ2 4.19Å; I184-W194 HydrophobicContact CB-CZ3 4.28Å; I184-W194 HydrophobicContact CD1-CH2 4.09Å; I184-W194 HydrophobicContact CD1-CZ2 3.77Å; I184-W194 HydrophobicContact CG1-CH2 4.43Å; I184-W194 HydrophobicContact CG2-CE3 4.43Å; I184-W194 HydrophobicContact CG2-CH2 3.35Å; I184-W194 HydrophobicContact CG2-CZ2 3.91Å; I184-W194 HydrophobicContact CG2-CZ3 3.62Å
185	T	98.3	Very high	98.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-5.9	-179.2	45.1	0	0	0	0	115	Y107 R108 W115 A181 M182 K183 L191 W194	Y107-T185 WeakPolarHBondContact CE1-OG1 3.44Å; R108-T185 PolarHBondContact NE-O 2.87Å; W115-T185 HydrophobicContact CH2-CG2 3.42Å; W115-T185 VanDerWaalsContact CH2-CG2 3.42Å; W115-T185 HydrophobicContact CZ2-CG2 4.1Å; W115-T185 HydrophobicContact CZ3-CG2 4.13Å; A181-T185 PolarHBondContact O-N 3.43Å; A181-T185 PolarHBondContact O-OG1 3.12Å; M182-T185 WeakPolarHBondContact CA-OG1 3.45Å; M182-T185 PolarHBondContact O-OG1 3.29Å; M182-T185 VanDerWaalsContact O-OG1 3.05Å; K183-T185 VanDerWaalsContact C-N 3.33Å; K183-T185 PolarHBondContact O-N 3.23Å; T185-L191 HydrophobicContact CG2-CD2 3.44Å; T185-L191 VanDerWaalsContact CG2-CD2 3.44Å; T185-L191 HydrophobicContact CG2-CG 3.98Å; T185-W194 HydrophobicContact CG2-CH2 4.06Å; T185-W194 HydrophobicContact CG2-CZ3 3.67Å
186	Q	98	Very high	98.3	Very high	109 Å²	109	44.7 Å²	44.7	51%	0.509	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-20.1	168.7	-71.2	168	57.3	0	0	112.7	Y107 R108 M182 K183 I184	Y107-Q186 PolarHBondContact OH-NE2 3.21Å; R108-Q186 PolarHBondContact NH2-O 3.18Å; M182-Q186 WeakPolarHBondContact O-CG 3.27Å; M182-Q186 PolarHBondContact O-NE2 3.44Å; M182-Q186 VanDerWaalsContact O-NE2 3.07Å; K183-Q186 WeakPolarHBondContact O-CB 3.37Å; K183-Q186 PolarHBondContact O-N 2.04Å; I184-Q186 PolarHBondContact O-N 3.15Å; I184-Q186 VanDerWaalsContact O-N 3.16Å
187	E	97.6	Very high	98.3	Very high	67 Å²	67	42.6 Å²	42.6	31%	0.313	22%	0.216	S	C	.	.	S	Bend	trans	-62.8	157	173.5	-63.2	-77.1	168.9	0	0	111	R149 W150 I184 Q189 G190	R149-E187 IonicContact CZ-OE1 3.09Å; R149-E187 IonicContact NH2-OE1 2.69Å; R149-E187 PolarHBondContact NH2-OE1 2.96Å; R149-E187 IonicContact NH2-OE2 3.04Å; R149-E187 PolarHBondContact NH2-OE2 3.49Å; W150-E187 HydrophobicContact CH2-CG 3.75Å; W150-E187 HydrophobicContact CZ2-CG 4.44Å; I184-E187 VanDerWaalsContact O-CB 3.27Å; I184-E187 WeakPolarHBondContact O-CB 3.29Å; I184-E187 WeakPolarHBondContact O-CG 3.39Å; I184-E187 PolarHBondContact O-N 2.86Å; E187-Q189 PolarHBondContact O-N 2.97Å; E187-G190 PolarHBondContact O-N 2.93Å
188	P	97.7	Very high	98.3	Very high	130 Å²	130	47.1 Å²	47.1	84%	0.844	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.7	-175.7	-29	36.1	0	0	0	115.8
189	Q	97.3	Very high	98.3	Very high	123 Å²	123	51.9 Å²	51.9	58%	0.575	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-17.9	179.4	-62.5	-178	14.6	0	0	113.4	E187 G192	E187-Q189 PolarHBondContact O-N 2.97Å; Q189-G192 VanDerWaalsContact O-CA 3.29Å; Q189-G192 WeakPolarHBondContact O-CA 3.36Å; Q189-G192 PolarHBondContact O-N 3.19Å
190	G	98.3	Very high	98.3	Very high	6 Å²	6	51.3 Å²	51.3	6%	0.062	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	55.9	-135.7	-174.6	0	0	0	0	0	112.5	E187 G192 Y193	E187-G190 PolarHBondContact O-N 2.93Å; G190-G192 PolarHBondContact O-N 3.11Å; G190-Y193 PolarHBondContact O-N 3.05Å
191	L	98.5	Very high	98.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-65.9	-15	172.1	-71.6	-176.3	0	0	0	113.3	Y110 D114 W115 L118 T185 Y193 W194 W197	Y110-L191 HydrophobicContact CD1-CB 4.27Å; Y110-L191 HydrophobicContact CD1-CD1 3.43Å; Y110-L191 VanDerWaalsContact CD1-CD1 3.43Å; Y110-L191 HydrophobicContact CD1-CG 3.91Å; Y110-L191 HydrophobicContact CD2-CD1 3.89Å; Y110-L191 HydrophobicContact CD2-CG 3.7Å; Y110-L191 HydrophobicContact CE1-CB 3.84Å; Y110-L191 HydrophobicContact CE1-CD1 3.9Å; Y110-L191 HydrophobicContact CE1-CG 3.94Å; Y110-L191 HydrophobicContact CE2-CB 4.12Å; Y110-L191 HydrophobicContact CE2-CD1 4.32Å; Y110-L191 HydrophobicContact CE2-CG 3.75Å; Y110-L191 HydrophobicContact CG-CD1 3.4Å; Y110-L191 VanDerWaalsContact CG-CD1 3.4Å; Y110-L191 HydrophobicContact CG-CG 3.77Å; Y110-L191 PolarHBondContact OH-N 3.39Å; D114-L191 HydrophobicContact CB-CD1 3.65Å; W115-L191 HydrophobicContact CD2-CD2 4.4Å; W115-L191 HydrophobicContact CE3-CD2 4Å; W115-L191 HydrophobicContact CH2-CD2 3.87Å; W115-L191 HydrophobicContact CZ2-CD2 4.23Å; W115-L191 HydrophobicContact CZ3-CD2 3.72Å; L118-L191 HydrophobicContact CD2-CD2 3.97Å; T185-L191 HydrophobicContact CG2-CD2 3.44Å; T185-L191 VanDerWaalsContact CG2-CD2 3.44Å; T185-L191 HydrophobicContact CG2-CG 3.98Å; L191-Y193 PolarHBondContact O-N 3.41Å; L191-Y193 VanDerWaalsContact O-N 3.1Å; L191-W194 HydrophobicContact CD2-CE3 4.02Å; L191-W194 HydrophobicContact CD2-CZ3 3.76Å; L191-W194 PolarHBondContact O-N 3.08Å; L191-W194 VanDerWaalsContact O-N 3.12Å; L191-W197 HydrophobicContact CB-CD2 3.59Å; L191-W197 HydrophobicContact CB-CE3 3.77Å; L191-W197 HydrophobicContact CB-CG 4.06Å; L191-W197 HydrophobicContact CB-CH2 4.26Å; L191-W197 HydrophobicContact CB-CZ2 4.09Å; L191-W197 HydrophobicContact CB-CZ3 4.1Å; L191-W197 HydrophobicContact CD1-CD2 4.34Å; L191-W197 HydrophobicContact CD1-CG 4.49Å; L191-W197 HydrophobicContact CD1-CZ2 4.17Å
192	G	98.3	Very high	98.3	Very high	10 Å²	10	56.1 Å²	56.1	10%	0.103	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-63.3	-12.2	173.3	0	0	0	0	0	114.4	Q189 G190 W194 R198	Q189-G192 VanDerWaalsContact O-CA 3.29Å; Q189-G192 WeakPolarHBondContact O-CA 3.36Å; Q189-G192 PolarHBondContact O-N 3.19Å; G190-G192 PolarHBondContact O-N 3.11Å; G192-W194 VanDerWaalsContact C-N 3.25Å; G192-W194 PolarHBondContact O-N 3.06Å; G192-R198 VanDerWaalsContact O-CD 3.29Å; G192-R198 WeakPolarHBondContact O-CD 3.29Å; G192-R198 WeakPolarHBondContact O-CG 3.04Å; G192-R198 PolarHBondContact O-NH1 3.3Å
193	Y	98.3	Very high	98.2	Very high	67 Å²	67	58.1 Å²	58.1	26%	0.263	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-57.5	-39.1	169.6	175.9	-102.8	0	0	0	112.1	W150 I184 G190 L191 E195	W150-Y193 HydrophobicContact CZ2-CE2 4.32Å; W150-Y193 AromaticContact NE1-CE1 3.52Å; W150-Y193 AromaticContact NE1-CE2 3.84Å; W150-Y193 AromaticContact NE1-CZ 3.14Å; W150-Y193 PolarHBondContact NE1-OH 3.23Å; I184-Y193 HydrophobicContact CG2-CD1 3.42Å; I184-Y193 VanDerWaalsContact CG2-CD1 3.42Å; I184-Y193 HydrophobicContact CG2-CE1 4.04Å; I184-Y193 HydrophobicContact CG2-CG 3.71Å; G190-Y193 PolarHBondContact O-N 3.05Å; L191-Y193 PolarHBondContact O-N 3.41Å; L191-Y193 VanDerWaalsContact O-N 3.1Å; Y193-E195 PolarHBondContact O-N 2.89Å
194	W	98.6	Very high	98.2	Very high	12 Å²	12	59.7 Å²	59.7	5%	0.045	31%	0.312	C	S	.	.	S	Bend	trans	-85.4	114.9	178.7	-68.5	-93	0	0	0	110.7	L118 F143 A181 I184 T185 L191 G192 A196 W197 R198	L118-W194 HydrophobicContact CD1-CB 3.48Å; L118-W194 VanDerWaalsContact CD1-CB 3.48Å; L118-W194 HydrophobicContact CD1-CD2 4.09Å; L118-W194 HydrophobicContact CD1-CG 3.51Å; L118-W194 HydrophobicContact CD2-CD2 3.93Å; L118-W194 HydrophobicContact CD2-CE3 4.18Å; L118-W194 HydrophobicContact CD2-CG 4.24Å; L118-W194 HydrophobicContact CD2-CZ2 4.49Å; F143-W194 PolarHBondContact O-NE1 3.42Å; A181-W194 HydrophobicContact CB-CH2 4.35Å; A181-W194 HydrophobicContact CB-CZ2 4.41Å; I184-W194 HydrophobicContact CB-CH2 3.61Å; I184-W194 HydrophobicContact CB-CZ2 4.19Å; I184-W194 HydrophobicContact CB-CZ3 4.28Å; I184-W194 HydrophobicContact CD1-CH2 4.09Å; I184-W194 HydrophobicContact CD1-CZ2 3.77Å; I184-W194 HydrophobicContact CG1-CH2 4.43Å; I184-W194 HydrophobicContact CG2-CE3 4.43Å; I184-W194 HydrophobicContact CG2-CH2 3.35Å; I184-W194 HydrophobicContact CG2-CZ2 3.91Å; I184-W194 HydrophobicContact CG2-CZ3 3.62Å; T185-W194 HydrophobicContact CG2-CH2 4.06Å; T185-W194 HydrophobicContact CG2-CZ3 3.67Å; L191-W194 HydrophobicContact CD2-CE3 4.02Å; L191-W194 HydrophobicContact CD2-CZ3 3.76Å; L191-W194 PolarHBondContact O-N 3.08Å; L191-W194 VanDerWaalsContact O-N 3.12Å; G192-W194 VanDerWaalsContact C-N 3.25Å; G192-W194 PolarHBondContact O-N 3.06Å; W194-A196 PolarHBondContact O-N 2.81Å; W194-W197 HydrophobicContact CB-CB 4.17Å; W194-W197 PolarHBondContact O-N 2.98Å; W194-W197 VanDerWaalsContact O-N 3.08Å; W194-R198 PolarHBondContact O-N 3.16Å; W194-R198 VanDerWaalsContact O-N 3.11Å
195	E	97.9	Very high	98.2	Very high	116 Å²	116	65.7 Å²	65.7	54%	0.542	34%	0.344	S	S	.	.	H	α-helix	trans	-56.2	-40.3	175.8	178.1	167.4	174.8	0	0	112.4	Y193 W197 R198 H199	Y193-E195 PolarHBondContact O-N 2.89Å; E195-W197 VanDerWaalsContact C-N 3.32Å; E195-W197 PolarHBondContact O-N 3.03Å; E195-R198 PolarHBondContact O-N 3.16Å; E195-H199 VanDerWaalsContact CG-CE1 3.41Å; E195-H199 WeakPolarHBondContact CG-CE1 3.22Å; E195-H199 PolarHBondContact O-N 3.22Å; E195-H199 IonicContact OE1-CE1 3.98Å; E195-H199 PolarHBondContact OE1-CE1 3.32Å; E195-H199 IonicContact OE1-ND1 3.89Å
196	A	98.2	Very high	98.2	Very high	22 Å²	22	66.4 Å²	66.4	18%	0.182	35%	0.347	C	S	.	.	H	α-helix	trans	-55.2	-45	175.1	0	0	0	0	0	112.3	F121 T122 W194 H199 H200	F121-A196 HydrophobicContact CB-CB 4.05Å; T122-A196 HydrophobicContact CG2-CB 3.71Å; W194-A196 PolarHBondContact O-N 2.81Å; A196-H199 PolarHBondContact O-N 3.09Å; A196-H200 VanDerWaalsContact O-CB 3.29Å; A196-H200 WeakPolarHBondContact O-CB 3.35Å; A196-H200 PolarHBondContact O-CD2 3.21Å; A196-H200 VanDerWaalsContact O-CD2 3.32Å; A196-H200 PolarHBondContact O-N 3.13Å
197	W	98.7	Very high	98.1	Very high	14 Å²	14	65.3 Å²	65.3	5%	0.053	35%	0.348	C	S	.	.	H	α-helix	trans	-68.5	-41.7	177.8	-177.9	91.2	0	0	0	111.7	Y110 D114 L118 L191 W194 E195 H199 C201 Q202	Y110-W197 HydrophobicContact CD1-CH2 4.48Å; Y110-W197 HydrophobicContact CD1-CZ2 4.05Å; Y110-W197 AromaticContact CE1-CH2 3.79Å; Y110-W197 HydrophobicContact CE1-CH2 3.79Å; Y110-W197 AromaticContact CE1-CZ2 3.8Å; Y110-W197 HydrophobicContact CE1-CZ2 3.8Å; D114-W197 WeakPolarHBondContact OD1-CZ2 3.26Å; D114-W197 PolarHBondContact OD1-NE1 3.46Å; L118-W197 HydrophobicContact CB-CB 4.4Å; L118-W197 HydrophobicContact CD1-CB 3.86Å; L191-W197 HydrophobicContact CB-CD2 3.59Å; L191-W197 HydrophobicContact CB-CE3 3.77Å; L191-W197 HydrophobicContact CB-CG 4.06Å; L191-W197 HydrophobicContact CB-CH2 4.26Å; L191-W197 HydrophobicContact CB-CZ2 4.09Å; L191-W197 HydrophobicContact CB-CZ3 4.1Å; L191-W197 HydrophobicContact CD1-CD2 4.34Å; L191-W197 HydrophobicContact CD1-CG 4.49Å; L191-W197 HydrophobicContact CD1-CZ2 4.17Å; W194-W197 HydrophobicContact CB-CB 4.17Å; W194-W197 PolarHBondContact O-N 2.98Å; W194-W197 VanDerWaalsContact O-N 3.08Å; E195-W197 VanDerWaalsContact C-N 3.32Å; E195-W197 PolarHBondContact O-N 3.03Å; W197-H199 VanDerWaalsContact C-N 3.33Å; W197-H199 PolarHBondContact O-N 3.26Å; W197-C201 HydrophobicContact CB-CB 4.46Å; W197-C201 HydrophobicContact CD2-CB 4.31Å; W197-C201 HydrophobicContact CG-CB 3.82Å; W197-C201 CarbonylContact O-C 3.43Å; W197-C201 WeakPolarHBondContact O-CA 3.44Å; W197-C201 WeakPolarHBondContact O-CB 3.26Å; W197-C201 PolarHBondContact O-N 3.05Å; W197-Q202 HydrophobicContact CD2-CB 4.44Å; W197-Q202 HydrophobicContact CE3-CB 3.92Å; W197-Q202 HydrophobicContact CE3-CG 4.4Å; W197-Q202 HydrophobicContact CH2-CB 3.81Å; W197-Q202 HydrophobicContact CH2-CG 3.67Å; W197-Q202 HydrophobicContact CZ2-CB 4.33Å; W197-Q202 HydrophobicContact CZ3-CB 3.59Å; W197-Q202 HydrophobicContact CZ3-CG 3.59Å; W197-Q202 PolarHBondContact O-N 3.23Å
198	R	98.3	Very high	98.1	Very high	94 Å²	94	68.4 Å²	68.4	36%	0.355	36%	0.363	S	S	.	.	H	α-helix	trans	-57.9	-44.1	175.6	-63.6	-162.8	-44.9	-95.9	-3.8	112.7	G192 W194 E195	G192-R198 VanDerWaalsContact O-CD 3.29Å; G192-R198 WeakPolarHBondContact O-CD 3.29Å; G192-R198 WeakPolarHBondContact O-CG 3.04Å; G192-R198 PolarHBondContact O-NH1 3.3Å; W194-R198 PolarHBondContact O-N 3.16Å; W194-R198 VanDerWaalsContact O-N 3.11Å; E195-R198 PolarHBondContact O-N 3.16Å
199	H	98.3	Very high	98.1	Very high	103 Å²	103	63.6 Å²	63.6	48%	0.477	33%	0.328	S	S	.	.	H	α-helix	trans	-81.6	-32.2	-174.3	-67.5	172.5	0	0	0	112.9	E195 A196 W197	E195-H199 VanDerWaalsContact CG-CE1 3.41Å; E195-H199 WeakPolarHBondContact CG-CE1 3.22Å; E195-H199 PolarHBondContact O-N 3.22Å; E195-H199 IonicContact OE1-CE1 3.98Å; E195-H199 PolarHBondContact OE1-CE1 3.32Å; E195-H199 IonicContact OE1-ND1 3.89Å; A196-H199 PolarHBondContact O-N 3.09Å; W197-H199 VanDerWaalsContact C-N 3.33Å; W197-H199 PolarHBondContact O-N 3.26Å
200	H	98.5	Very high	98.2	Very high	79 Å²	79	59.4 Å²	59.4	37%	0.366	31%	0.31	S	S	.	.	H	α-helix	trans	-111.4	-20.9	-169.9	-61.4	-77.2	0	0	0	115.2	F121 A196 K204	F121-H200 HydrophobicContact CB-CB 4.17Å; F121-H200 HydrophobicContact CD1-CB 3.63Å; F121-H200 AromaticContact CD1-CD2 3.74Å; F121-H200 AromaticContact CD1-CG 3.4Å; F121-H200 AromaticContact CD1-ND1 3.7Å; F121-H200 HydrophobicContact CD2-CB 3.34Å; F121-H200 HydrophobicContact CE1-CB 3.77Å; F121-H200 AromaticContact CE1-CG 3.59Å; F121-H200 AromaticContact CE1-ND1 3.47Å; F121-H200 WeakPolarHBondContact CE1-ND1 3.03Å; F121-H200 HydrophobicContact CE2-CB 3.48Å; F121-H200 VanDerWaalsContact CE2-CB 3.48Å; F121-H200 HydrophobicContact CG-CB 3.42Å; F121-H200 VanDerWaalsContact CG-CB 3.42Å; F121-H200 AromaticContact CG-CG 3.68Å; F121-H200 HydrophobicContact CZ-CB 3.7Å; A196-H200 VanDerWaalsContact O-CB 3.29Å; A196-H200 WeakPolarHBondContact O-CB 3.35Å; A196-H200 PolarHBondContact O-CD2 3.21Å; A196-H200 VanDerWaalsContact O-CD2 3.32Å; A196-H200 PolarHBondContact O-N 3.13Å; H200-K204 VanDerWaalsContact O-CD 3.31Å; H200-K204 WeakPolarHBondContact O-CD 3.28Å; H200-K204 WeakPolarHBondContact O-CE 3.42Å; H200-K204 PolarHBondContact O-NZ 2.77Å
201	C	98.6	Very high	98.1	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-42	-173	-50.6	0	0	0	0	113.2	C117 W197 G203 K204 L206	C117-C201 HydrophobicContact CB-CB 3.89Å; C117-C201 WeakPolarHBondContact CB-SG 3.43Å; C117-C201 VanDerWaalsContact SG-CA 3.56Å; C117-C201 WeakPolarHBondContact SG-CB 3.46Å; C117-C201 CovalentContact SG-SG 2.03Å; C117-C201 PolarHBondContact SG-SG 3.35Å; W197-C201 HydrophobicContact CB-CB 4.46Å; W197-C201 HydrophobicContact CD2-CB 4.31Å; W197-C201 HydrophobicContact CG-CB 3.82Å; W197-C201 CarbonylContact O-C 3.43Å; W197-C201 WeakPolarHBondContact O-CA 3.44Å; W197-C201 WeakPolarHBondContact O-CB 3.26Å; W197-C201 PolarHBondContact O-N 3.05Å; C201-G203 PolarHBondContact O-N 3.35Å; C201-K204 PolarHBondContact O-N 3.46Å; C201-L206 HydrophobicContact CB-CD1 4.12Å; C201-L206 HydrophobicContact CB-CD2 4.33Å
202	Q	98.3	Very high	98.1	Very high	101 Å²	101	67.6 Å²	67.6	47%	0.472	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	128	-173.2	-172.4	173.7	15.6	0	0	112.4	W197 K204	W197-Q202 HydrophobicContact CD2-CB 4.44Å; W197-Q202 HydrophobicContact CE3-CB 3.92Å; W197-Q202 HydrophobicContact CE3-CG 4.4Å; W197-Q202 HydrophobicContact CH2-CB 3.81Å; W197-Q202 HydrophobicContact CH2-CG 3.67Å; W197-Q202 HydrophobicContact CZ2-CB 4.33Å; W197-Q202 HydrophobicContact CZ3-CB 3.59Å; W197-Q202 HydrophobicContact CZ3-CG 3.59Å; W197-Q202 PolarHBondContact O-N 3.23Å; Q202-K204 VanDerWaalsContact C-N 3.28Å; Q202-K204 PolarHBondContact O-N 2.81Å
203	G	97.6	Very high	98	Very high	86 Å²	86	67.8 Å²	67.8	89%	0.887	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	13.5	175.6	0	0	0	0	0	115.1	C201	C201-G203 PolarHBondContact O-N 3.35Å
204	K	98.1	Very high	97.7	Very high	115 Å²	115	70.5 Å²	70.5	50%	0.5	39%	0.387	S	S	.	.	S	Bend	trans	-105.2	160.8	175.6	-58.7	-174.2	-169.4	170.6	0	111.1	H200 C201 Q202 L206	H200-K204 VanDerWaalsContact O-CD 3.31Å; H200-K204 WeakPolarHBondContact O-CD 3.28Å; H200-K204 WeakPolarHBondContact O-CE 3.42Å; H200-K204 PolarHBondContact O-NZ 2.77Å; C201-K204 PolarHBondContact O-N 3.46Å; Q202-K204 VanDerWaalsContact C-N 3.28Å; Q202-K204 PolarHBondContact O-N 2.81Å; K204-L206 HydrophobicContact CB-CD2 4.08Å; K204-L206 PolarHBondContact O-N 2.81Å
205	D	98.1	Very high	97	Very high	126 Å²	126	76.3 Å²	76.3	67%	0.674	41%	0.413	S	S	*	.			trans	-72.7	117.4	164.4	-177.5	1.4	0	0	0	108.6	T207	D205-T207 VanDerWaalsContact OD1-CB 3.28Å; D205-T207 WeakPolarHBondContact OD1-CB 3.25Å; D205-T207 PolarHBondContact OD1-N 3.49Å; D205-T207 PolarHBondContact OD1-OG1 2.64Å
206	L	98.3	Very high	96.9	Very high	14 Å²	14	74.4 Å²	74.4	7%	0.073	41%	0.407	C	S	.	.			trans	-105.2	8.1	-177.2	-58.2	-175.9	0	0	0	112.5	A113 D114 C117 C201 K204 E208 W209	A113-L206 HydrophobicContact CB-CB 3.7Å; A113-L206 WeakPolarHBondContact CB-O 3.43Å; D114-L206 HydrophobicContact CB-CD1 4.38Å; D114-L206 VanDerWaalsContact OD1-CD1 3.3Å; D114-L206 WeakPolarHBondContact OD1-CD1 3.49Å; C117-L206 HydrophobicContact CB-CD1 4.27Å; C117-L206 HydrophobicContact CB-CD2 4.3Å; C201-L206 HydrophobicContact CB-CD1 4.12Å; C201-L206 HydrophobicContact CB-CD2 4.33Å; K204-L206 HydrophobicContact CB-CD2 4.08Å; K204-L206 PolarHBondContact O-N 2.81Å; L206-E208 PolarHBondContact O-N 3.23Å; L206-E208 VanDerWaalsContact O-N 3.1Å; L206-W209 WeakPolarHBondContact O-CB 3.43Å; L206-W209 PolarHBondContact O-N 2.76Å
207	T	97.2	Very high	96.9	Very high	86 Å²	86	77.1 Å²	77.1	53%	0.528	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-53.2	-38.4	-174.9	-55.3	0	0	0	0	112.4	D205 W209 V210 D211	D205-T207 VanDerWaalsContact OD1-CB 3.28Å; D205-T207 WeakPolarHBondContact OD1-CB 3.25Å; D205-T207 PolarHBondContact OD1-N 3.49Å; D205-T207 PolarHBondContact OD1-OG1 2.64Å; T207-W209 PolarHBondContact O-N 3.49Å; T207-W209 VanDerWaalsContact O-N 3.1Å; T207-V210 PolarHBondContact O-N 2.92Å; T207-V210 VanDerWaalsContact O-N 3.16Å; T207-D211 PolarHBondContact O-N 2.69Å
208	E	96.8	Very high	96.8	Very high	133 Å²	133	80.6 Å²	80.6	62%	0.621	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-59.1	-23.4	178.7	67.6	175.8	175.6	0	0	114.4	R92 L206 V210	R92-E208 PolarHBondContact NH1-O 3.29Å; L206-E208 PolarHBondContact O-N 3.23Å; L206-E208 VanDerWaalsContact O-N 3.1Å; E208-V210 PolarHBondContact O-N 2.75Å
209	W	98.3	Very high	96.7	Very high	28 Å²	28	79.8 Å²	79.8	11%	0.106	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-69.3	-25.4	-179.4	-72	99.4	0	0	0	112.8	R92 A113 V116 C117 Y120 F121 F125 L206 T207	R92-W209 VanDerWaalsContact CD-O 3.32Å; R92-W209 WeakPolarHBondContact CD-O 3.12Å; R92-W209 VanDerWaalsContact CG-O 3.3Å; R92-W209 WeakPolarHBondContact CG-O 3.08Å; R92-W209 VanDerWaalsContact NH1-C 3.29Å; R92-W209 PolarHBondContact NH1-O 2.87Å; A113-W209 HydrophobicContact CB-CB 4.09Å; V116-W209 HydrophobicContact CB-CB 4.23Å; V116-W209 HydrophobicContact CG1-CB 4.2Å; V116-W209 HydrophobicContact CG1-CE3 3.81Å; C117-W209 HydrophobicContact CB-CD2 3.94Å; C117-W209 HydrophobicContact CB-CG 4.02Å; C117-W209 HydrophobicContact CB-CZ2 4.3Å; Y120-W209 AromaticContact CD1-CH2 3.42Å; Y120-W209 HydrophobicContact CD1-CH2 3.42Å; Y120-W209 VanDerWaalsContact CD1-CH2 3.42Å; Y120-W209 HydrophobicContact CD1-CZ2 4.32Å; Y120-W209 HydrophobicContact CD1-CZ3 4.16Å; Y120-W209 HydrophobicContact CD2-CH2 4.11Å; Y120-W209 HydrophobicContact CD2-CZ3 4.06Å; Y120-W209 HydrophobicContact CE1-CH2 4.1Å; Y120-W209 AromaticContact CG-CH2 3.39Å; Y120-W209 HydrophobicContact CG-CH2 3.39Å; Y120-W209 AromaticContact CG-CZ3 3.64Å; Y120-W209 HydrophobicContact CG-CZ3 3.64Å; F121-W209 HydrophobicContact CD2-CZ2 4.43Å; F121-W209 HydrophobicContact CE2-CH2 4.21Å; F121-W209 AromaticContact CE2-CZ2 3.72Å; F121-W209 HydrophobicContact CE2-CZ2 3.72Å; F121-W209 HydrophobicContact CZ-CZ2 4.49Å; F125-W209 HydrophobicContact CZ-CE3 4.35Å; F125-W209 AromaticContact CZ-CZ3 3.88Å; F125-W209 HydrophobicContact CZ-CZ3 3.88Å; L206-W209 WeakPolarHBondContact O-CB 3.43Å; L206-W209 PolarHBondContact O-N 2.76Å; T207-W209 PolarHBondContact O-N 3.49Å; T207-W209 VanDerWaalsContact O-N 3.1Å
210	V	98.2	Very high	96.6	Very high	35 Å²	35	78.4 Å²	78.4	21%	0.212	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-5.1	-179.6	-64.5	0	0	0	0	113.2	A96 L112 A113 V116 T207 E208 G212 C213 F215	A96-V210 HydrophobicContact CB-CG1 4.41Å; L112-V210 HydrophobicContact CB-CG1 4.23Å; L112-V210 HydrophobicContact CD2-CG1 4.08Å; L112-V210 HydrophobicContact CG-CG1 4.02Å; A113-V210 HydrophobicContact CB-CG1 4.06Å; A113-V210 HydrophobicContact CB-CG2 4.15Å; V116-V210 HydrophobicContact CG2-CG1 4.41Å; T207-V210 PolarHBondContact O-N 2.92Å; T207-V210 VanDerWaalsContact O-N 3.16Å; E208-V210 PolarHBondContact O-N 2.75Å; V210-G212 PolarHBondContact O-N 3.25Å; V210-C213 WeakPolarHBondContact O-CB 2.9Å; V210-C213 PolarHBondContact O-N 3.09Å; V210-C213 PolarHBondContact O-SG 3.24Å; V210-C213 VanDerWaalsContact O-SG 3.41Å; V210-F215 HydrophobicContact CB-CZ 4.29Å
211	D	97.4	Very high	96.4	Very high	113 Å²	113	78.3 Å²	78.3	60%	0.604	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	137.5	177.6	-167.7	25.8	0	0	0	111.7	R92 T207 C213	R92-D211 PolarHBondContact NH1-O 2.7Å; R92-D211 PolarHBondContact NH2-O 3.05Å; T207-D211 PolarHBondContact O-N 2.69Å; D211-C213 PolarHBondContact O-N 3.02Å
212	G	97.4	Very high	96.3	Very high	66 Å²	66	83.9 Å²	83.9	68%	0.68	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	13.8	-176.8	0	0	0	0	0	116.2	V210	V210-G212 PolarHBondContact O-N 3.25Å
213	C	97.7	Very high	96.1	Very high	13 Å²	13	82.6 Å²	82.6	9%	0.088	48%	0.479	C	S	.	.			trans	-88	130.1	174.3	-60.1	0	0	0	0	111.6	R92 C93 V210 D211 F215	R92-C213 PolarHBondContact NH1-SG 2.97Å; C93-C213 WeakPolarHBondContact CA-SG 3.33Å; C93-C213 HydrophobicContact CB-CB 3.62Å; C93-C213 WeakPolarHBondContact CB-SG 3.27Å; C93-C213 WeakPolarHBondContact SG-CA 3.41Å; C93-C213 WeakPolarHBondContact SG-CB 3.33Å; C93-C213 CovalentContact SG-SG 2.05Å; C93-C213 PolarHBondContact SG-SG 3.15Å; V210-C213 WeakPolarHBondContact O-CB 2.9Å; V210-C213 PolarHBondContact O-N 3.09Å; V210-C213 PolarHBondContact O-SG 3.24Å; V210-C213 VanDerWaalsContact O-SG 3.41Å; D211-C213 PolarHBondContact O-N 3.02Å; C213-F215 HydrophobicContact CB-CE1 4.05Å; C213-F215 HydrophobicContact CB-CE2 3.99Å; C213-F215 HydrophobicContact CB-CZ 3.56Å; C213-F215 WeakPolarHBondContact O-CD2 3.41Å; C213-F215 VanDerWaalsContact O-CE2 3.25Å; C213-F215 WeakPolarHBondContact O-CE2 3.46Å
214	D	92	Very high	96	Very high	125 Å²	125	82.3 Å²	82.3	67%	0.668	45%	0.445	S	S	*	.			trans	-84.2	127.1	170.9	-55.7	-49.3	0	0	0	109.9	R97	R97-D214 VanDerWaalsContact CZ-O 3.31Å; R97-D214 PolarHBondContact NE-O 3.26Å; R97-D214 PolarHBondContact NH2-O 2.9Å
215	F	82.9	Confident	95.8	Very high	134 Å²	134	79.4 Å²	79.4	59%	0.588	44%	0.44	S	S	*	.			trans	-107.6	0	177.7	-55	-75.2	0	0	0	110.7	A96 H100 L112 V210 C213	A96-F215 HydrophobicContact CB-CE1 3.92Å; A96-F215 HydrophobicContact CB-CZ 4.42Å; H100-F215 HydrophobicContact CB-CD1 4.23Å; L112-F215 HydrophobicContact CD2-CD1 4.36Å; L112-F215 HydrophobicContact CD2-CE1 3.52Å; L112-F215 HydrophobicContact CD2-CZ 3.85Å; V210-F215 HydrophobicContact CB-CZ 4.29Å; C213-F215 HydrophobicContact CB-CE1 4.05Å; C213-F215 HydrophobicContact CB-CE2 3.99Å; C213-F215 HydrophobicContact CB-CZ 3.56Å; C213-F215 WeakPolarHBondContact O-CD2 3.41Å; C213-F215 VanDerWaalsContact O-CE2 3.25Å; C213-F215 WeakPolarHBondContact O-CE2 3.46Å

Retrieved 215 of 215 residues in 100.8 ms (Link to these results)

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