A0A5K4F123_SCHMA Loading...

Glutaredoxin domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F123, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 183 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.7	Low	51.2	Low	245 Å²	245	158.9 Å²	158.9	100%	1.207	80%	0.803	S	S	*	*				0	90.5	0	-66.1	160.2	177.4	0	0	105.2
2	G	45.8	Very low	51	Low	78 Å²	78	155.5 Å²	155.5	80%	0.804	79%	0.788	S	S	*	*				64.7	107.9	88.8	0	0	0	0	0	108.5
3	F	48.2	Very low	50.5	Low	179 Å²	179	152.7 Å²	152.7	79%	0.785	78%	0.783	S	S	*	*				-166.8	135.9	60.1	-156	-118.5	0	0	0	109.7	L5	F3-L5 HydrophobicContact CD1-CD1 3.93Å; F3-L5 HydrophobicContact CD1-CG 3.69Å; F3-L5 HydrophobicContact CE1-CD1 3.63Å; F3-L5 HydrophobicContact CE1-CD2 3.79Å; F3-L5 HydrophobicContact CE1-CG 3.41Å; F3-L5 VanDerWaalsContact CE1-CG 3.41Å
4	V	47.8	Very low	50.4	Low	132 Å²	132	150 Å²	150	80%	0.8	79%	0.785	S	S	*	*			trans	-102.7	126.9	166.8	170.1	0	0	0	0	106.4
5	L	53.9	Low	50.7	Low	131 Å²	131	151.3 Å²	151.3	69%	0.686	79%	0.792	S	S	*	*			trans	-110.9	124.7	165.8	-89.1	167.5	0	0	0	110.5	F3	F3-L5 HydrophobicContact CD1-CD1 3.93Å; F3-L5 HydrophobicContact CD1-CG 3.69Å; F3-L5 HydrophobicContact CE1-CD1 3.63Å; F3-L5 HydrophobicContact CE1-CD2 3.79Å; F3-L5 HydrophobicContact CE1-CG 3.41Å; F3-L5 VanDerWaalsContact CE1-CG 3.41Å
6	K	56.2	Low	50.5	Low	173 Å²	173	146.9 Å²	146.9	75%	0.752	79%	0.794	S	S	*	*			trans	-111.8	127.1	-176.4	-175.2	171.4	-174.5	169.7	0	106.1
7	F	53.9	Low	49.9	Very low	195 Å²	195	143.2 Å²	143.2	86%	0.855	80%	0.798	S	S	*	*			trans	-124.4	120.1	162.9	-87.7	-80.3	0	0	0	108.7
8	P	56.2	Low	50	Low	91 Å²	91	141.7 Å²	141.7	59%	0.591	80%	0.799	S	S	*	*			trans	-125.4	174.6	153	27.4	-8.6	0	0	0	110.9
9	V	55.2	Low	49.8	Very low	113 Å²	113	142.5 Å²	142.5	69%	0.685	80%	0.8	S	S	*	*			trans	116.4	101	147.3	-167	0	0	0	0	116.5
10	R	48.9	Very low	49.5	Very low	214 Å²	214	145.7 Å²	145.7	81%	0.808	81%	0.805	S	S	*	*			trans	52	130.9	130.1	-63.2	177.3	163.8	134.4	-5.3	122
11	F	43.5	Very low	49.2	Very low	197 Å²	197	143.3 Å²	143.3	86%	0.864	81%	0.805	S	S	*	*				-157.9	106.1	128.2	-139.1	-98.8	0	0	0	108.4
12	L	48.7	Very low	49	Very low	118 Å²	118	137.3 Å²	137.3	62%	0.618	79%	0.786	S	S	*	*				61.5	102.8	83.5	-88.1	162.7	0	0	0	116.8
13	T	44.2	Very low	49.3	Very low	119 Å²	119	138.5 Å²	138.5	73%	0.73	78%	0.782	S	S	*	*			trans	60.8	124	131.3	52.6	0	0	0	0	122.9
14	S	50	Low	49.1	Very low	115 Å²	115	138.1 Å²	138.1	80%	0.804	79%	0.788	S	S	*	*			trans	-158.4	108.5	135.4	-174.4	0	0	0	0	108.4
15	L	54.7	Low	49.2	Very low	170 Å²	170	140.9 Å²	140.9	89%	0.89	79%	0.789	S	S	*	*				61.4	120.3	82.5	-105.5	126.5	0	0	0	115.9
16	G	47.4	Very low	48.9	Very low	80 Å²	80	141.3 Å²	141.3	83%	0.825	80%	0.797	S	S	*	*			trans	123.4	100.1	147	0	0	0	0	0	116.3
17	G	40.6	Very low	48.7	Very low	84 Å²	84	137.7 Å²	137.7	87%	0.866	80%	0.799	S	S	*	*			trans	-90.6	161.5	167.8	0	0	0	0	0	113.3
18	S	51.3	Low	48.3	Very low	116 Å²	116	134.9 Å²	134.9	81%	0.811	80%	0.797	S	S	*	*			trans	-159.4	111.2	158.6	-175.8	0	0	0	0	112.9
19	L	45.7	Very low	48.2	Very low	157 Å²	157	136.1 Å²	136.1	82%	0.822	81%	0.809	S	S	*	*			trans	-0.4	134.7	145.4	-60.8	154.3	0	0	0	119.6
20	K	44.4	Very low	47.9	Very low	207 Å²	207	136.2 Å²	136.2	90%	0.9	81%	0.81	S	S	*	*				177.1	131.7	103.7	-96.5	177.3	179.8	179.2	0	112.5
21	A	43.7	Very low	48.2	Very low	96 Å²	96	135.1 Å²	135.1	79%	0.793	81%	0.811	S	S	*	*			trans	-99.7	142.3	165.5	0	0	0	0	0	110.2
22	S	49	Very low	48.4	Very low	118 Å²	118	134.5 Å²	134.5	83%	0.825	81%	0.81	S	S	*	*			trans	-165.1	98.8	163.4	-75.9	0	0	0	0	107.2
23	S	51	Low	48.3	Very low	103 Å²	103	136.4 Å²	136.4	72%	0.72	82%	0.82	S	S	*	*				64	104.7	91.7	-147.1	0	0	0	0	114.2
24	L	45.4	Very low	48.8	Very low	172 Å²	172	137.7 Å²	137.7	90%	0.901	83%	0.827	S	S	*	*			trans	-135.5	110	156.7	-97.9	154.5	0	0	0	108
25	K	49.6	Very low	48.9	Very low	190 Å²	190	137 Å²	137	83%	0.826	83%	0.829	S	S	*	*			trans	-86.9	134.1	168.3	-69.4	174.1	176.4	176.1	0	107.5
26	V	47.4	Very low	48.9	Very low	140 Å²	140	134.3 Å²	134.3	85%	0.848	82%	0.824	S	S	*	*			trans	-119.9	125.1	161	177.6	0	0	0	0	108.2
27	A	50.9	Low	49.1	Very low	96 Å²	96	135.9 Å²	135.9	79%	0.793	82%	0.819	S	S	*	*			trans	-82.1	140.6	-172.8	0	0	0	0	0	112
28	V	47.3	Very low	49.7	Very low	136 Å²	136	138.8 Å²	138.8	82%	0.824	82%	0.821	S	S	*	*			trans	-84.7	126.8	167.9	167.9	0	0	0	0	108.6
29	S	52.4	Low	49.7	Very low	118 Å²	118	141.7 Å²	141.7	83%	0.825	82%	0.819	S	S	*	*			trans	-113.2	110	173.1	179.7	0	0	0	0	110.1
30	T	50.2	Low	50	Low	115 Å²	115	139 Å²	139	71%	0.706	81%	0.814	S	S	*	*			trans	-85.2	133.8	170.6	-42.1	0	0	0	0	109.4
31	K	54.3	Low	50.3	Low	191 Å²	191	136.5 Å²	136.5	83%	0.83	81%	0.805	S	S	*	*			trans	174.7	100.6	150.6	-95.6	161.4	-153.7	-169	0	110.5
32	H	47.7	Very low	50.5	Low	184 Å²	184	139.3 Å²	139.3	85%	0.852	80%	0.8	S	S	*	*				173.8	123.8	113.2	-106.2	-77.2	0	0	0	111.2
33	L	47.1	Very low	50.5	Low	158 Å²	158	140.9 Å²	140.9	83%	0.827	80%	0.799	S	S	*	*			trans	-73.1	135.3	164.4	-72.6	154.5	0	0	0	109.4
34	V	53.7	Low	50.7	Low	145 Å²	145	144.5 Å²	144.5	88%	0.879	80%	0.798	S	S	*	*				-171.2	128.4	127.1	-100.6	0	0	0	0	112.7
35	A	52.2	Low	51.3	Low	101 Å²	101	143.3 Å²	143.3	84%	0.835	79%	0.791	S	S	*	*			trans	62.5	112.8	145.1	0	0	0	0	0	122.4
36	S	55.9	Low	51.7	Low	114 Å²	114	141 Å²	141	80%	0.797	79%	0.786	S	S	*	*			trans	-67.4	-172.6	162	-42.1	0	0	0	0	113.6
37	P	51.9	Low	51.8	Low	112 Å²	112	141.2 Å²	141.2	73%	0.727	78%	0.778	S	S	*	*				-133.4	152.4	-57.9	33.5	-16.9	0	0	0	111.6
38	T	53.2	Low	51.8	Low	146 Å²	146	145 Å²	145	90%	0.896	77%	0.771	S	S	*	*			trans	-164.4	142.7	148.8	33.1	0	0	0	0	111.1
39	F	51.3	Low	51.9	Low	177 Å²	177	147 Å²	147	78%	0.776	77%	0.771	S	S	*	*			trans	85.6	93.7	162	-144	-101.6	0	0	0	118.3	Q41	F39-Q41 HydrophobicContact CE1-CB 4.48Å; F39-Q41 PolarHBondContact O-N 2.81Å
40	S	51.5	Low	52.2	Low	101 Å²	101	147.8 Å²	147.8	71%	0.706	76%	0.761	S	S	*	*			trans	-69.8	112.7	163.1	161.7	0	0	0	0	110.9
41	Q	51	Low	52.3	Low	153 Å²	153	147 Å²	147	72%	0.715	76%	0.76	S	S	*	*			trans	-144.2	119.9	143	-123.2	167.4	-13.4	0	0	107.8	F39 N43	F39-Q41 HydrophobicContact CE1-CB 4.48Å; F39-Q41 PolarHBondContact O-N 2.81Å; Q41-N43 PolarHBondContact O-N 2.77Å
42	F	47.8	Very low	52.9	Low	156 Å²	156	145.7 Å²	145.7	68%	0.684	76%	0.762	S	S	*	*			trans	-52.8	105.9	-172.1	-104.6	-105.9	0	0	0	112.2	Y44	F42-Y44 HydrophobicContact CB-CD2 4.4Å; F42-Y44 HydrophobicContact CB-CE2 4.26Å; F42-Y44 HydrophobicContact CD1-CD1 4.46Å; F42-Y44 AromaticContact CD1-CD2 3.96Å; F42-Y44 HydrophobicContact CD1-CD2 3.96Å; F42-Y44 AromaticContact CD1-CE1 3.98Å; F42-Y44 HydrophobicContact CD1-CE1 3.98Å; F42-Y44 AromaticContact CD1-CE2 3.43Å; F42-Y44 HydrophobicContact CD1-CE2 3.43Å; F42-Y44 VanDerWaalsContact CD1-CE2 3.43Å; F42-Y44 HydrophobicContact CD1-CG 4.45Å; F42-Y44 AromaticContact CD1-CZ 3.44Å; F42-Y44 VanDerWaalsContact CD1-CZ 3.44Å; F42-Y44 HydrophobicContact CE1-CE1 4.02Å; F42-Y44 HydrophobicContact CE1-CE2 4.09Å; F42-Y44 AromaticContact CE1-CZ 3.61Å; F42-Y44 WeakPolarHBondContact CE1-OH 3.44Å; F42-Y44 HydrophobicContact CG-CE2 4.21Å; F42-Y44 PolarHBondContact O-N 2.87Å
43	N	49.1	Very low	54	Low	151 Å²	151	142.6 Å²	142.6	81%	0.807	76%	0.756	S	S	*	*			trans	-86.4	97	157.6	-77.9	-49.2	0	0	0	107.3	Q41 I45	Q41-N43 PolarHBondContact O-N 2.77Å; N43-I45 VanDerWaalsContact C-N 3.33Å; N43-I45 PolarHBondContact O-N 3.46Å
44	Y	54.1	Low	55.3	Low	179 Å²	179	136.4 Å²	136.4	70%	0.702	73%	0.725	S	S	*	*			trans	-67	98.1	162.1	-76.4	-80.2	0	0	0	107.6	F42 I46	F42-Y44 HydrophobicContact CB-CD2 4.4Å; F42-Y44 HydrophobicContact CB-CE2 4.26Å; F42-Y44 HydrophobicContact CD1-CD1 4.46Å; F42-Y44 AromaticContact CD1-CD2 3.96Å; F42-Y44 HydrophobicContact CD1-CD2 3.96Å; F42-Y44 AromaticContact CD1-CE1 3.98Å; F42-Y44 HydrophobicContact CD1-CE1 3.98Å; F42-Y44 AromaticContact CD1-CE2 3.43Å; F42-Y44 HydrophobicContact CD1-CE2 3.43Å; F42-Y44 VanDerWaalsContact CD1-CE2 3.43Å; F42-Y44 HydrophobicContact CD1-CG 4.45Å; F42-Y44 AromaticContact CD1-CZ 3.44Å; F42-Y44 VanDerWaalsContact CD1-CZ 3.44Å; F42-Y44 HydrophobicContact CE1-CE1 4.02Å; F42-Y44 HydrophobicContact CE1-CE2 4.09Å; F42-Y44 AromaticContact CE1-CZ 3.61Å; F42-Y44 WeakPolarHBondContact CE1-OH 3.44Å; F42-Y44 HydrophobicContact CG-CE2 4.21Å; F42-Y44 PolarHBondContact O-N 2.87Å; Y44-I46 VanDerWaalsContact C-N 3.29Å; Y44-I46 PolarHBondContact O-N 2.78Å
45	I	59.1	Low	56.5	Low	147 Å²	147	132 Å²	132	75%	0.754	70%	0.701	S	S	*	*			trans	-69.2	95	163.6	-62.2	179.8	0	0	0	106.1	N43 H47	N43-I45 VanDerWaalsContact C-N 3.33Å; N43-I45 PolarHBondContact O-N 3.46Å; I45-H47 HydrophobicContact CG2-CB 4.47Å; I45-H47 PolarHBondContact O-N 2.98Å
46	I	57.4	Low	57.9	Low	140 Å²	140	132.9 Å²	132.9	72%	0.718	69%	0.692	S	S	*	*			trans	-68.9	88.9	163.8	-61.6	-71.7	0	0	0	106	Y44 R48	Y44-I46 VanDerWaalsContact C-N 3.29Å; Y44-I46 PolarHBondContact O-N 2.78Å; I46-R48 HydrophobicContact CG2-CB 4.38Å; I46-R48 PolarHBondContact O-N 3.38Å
47	H	50.5	Low	59.5	Low	146 Å²	146	133 Å²	133	68%	0.676	68%	0.683	S	S	*	*			trans	-73.4	83.9	168.3	-167.5	-78	0	0	0	107.7	I45 Q49	I45-H47 HydrophobicContact CG2-CB 4.47Å; I45-H47 PolarHBondContact O-N 2.98Å; H47-Q49 VanDerWaalsContact C-N 3.29Å; H47-Q49 PolarHBondContact O-N 3.24Å
48	R	51.2	Low	61.2	Low	175 Å²	175	127.8 Å²	127.8	66%	0.66	65%	0.65	S	S	*	*			trans	-69.6	90.9	172.5	-161.4	167.9	171.8	-167.8	-2.1	106.8	I46 F50	I46-R48 HydrophobicContact CG2-CB 4.38Å; I46-R48 PolarHBondContact O-N 3.38Å; R48-F50 VanDerWaalsContact C-N 3.28Å; R48-F50 HydrophobicContact CB-CD2 4.01Å; R48-F50 VanDerWaalsContact CD-CD2 3.48Å; R48-F50 HydrophobicContact CG-CD2 3.45Å; R48-F50 VanDerWaalsContact CG-CD2 3.45Å; R48-F50 HydrophobicContact CG-CE2 3.77Å; R48-F50 HydrophobicContact CG-CG 4.24Å; R48-F50 VanDerWaalsContact NE-CZ 3.32Å; R48-F50 PolarHBondContact O-N 3.03Å
49	Q	48.7	Very low	62.9	Low	177 Å²	177	122.2 Å²	122.2	83%	0.827	62%	0.615	S	S	*	*			trans	-59.5	100.1	163.3	-89	175.6	-70.3	0	0	106.5	H47	H47-Q49 VanDerWaalsContact C-N 3.29Å; H47-Q49 PolarHBondContact O-N 3.24Å
50	F	57.8	Low	64.8	Low	136 Å²	136	117.4 Å²	117.4	60%	0.596	60%	0.597	S	S	*	*			trans	-98.9	118.4	-174.5	-121.3	-67.9	0	0	0	108.1	R48	R48-F50 VanDerWaalsContact C-N 3.28Å; R48-F50 HydrophobicContact CB-CD2 4.01Å; R48-F50 VanDerWaalsContact CD-CD2 3.48Å; R48-F50 HydrophobicContact CG-CD2 3.45Å; R48-F50 VanDerWaalsContact CG-CD2 3.45Å; R48-F50 HydrophobicContact CG-CE2 3.77Å; R48-F50 HydrophobicContact CG-CG 4.24Å; R48-F50 VanDerWaalsContact NE-CZ 3.32Å; R48-F50 PolarHBondContact O-N 3.03Å
51	S	53.7	Low	66.9	Low	98 Å²	98	116.8 Å²	116.8	69%	0.685	59%	0.586	S	S	*	*			trans	52	93.6	163	-89.5	0	0	0	0	117.1	T53	S51-T53 PolarHBondContact O-N 3.27Å
52	D	65.3	Low	69.1	Low	164 Å²	164	109.5 Å²	109.5	88%	0.877	55%	0.552	S	S	*	*			trans	-65.4	114.5	139.7	-66.6	-32.4	0	0	0	106.3
53	T	71.3	Confident	71.4	Confident	118 Å²	118	103.1 Å²	103.1	72%	0.724	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-61.2	136.2	167.3	48.2	0	0	0	0	107.8	S51 S55	S51-T53 PolarHBondContact O-N 3.27Å; T53-S55 PolarHBondContact O-N 2.67Å
54	P	74.9	Confident	73.6	Confident	28 Å²	28	100.8 Å²	100.8	18%	0.182	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-52.6	141.2	174.7	20.6	-30.2	0	0	0	110	S58 V59 A125 A126 V129	P54-S58 WeakPolarHBondContact CB-OG 3.32Å; P54-V59 HydrophobicContact CB-CG2 4.48Å; P54-V59 HydrophobicContact CG-CG2 4.35Å; P54-A125 HydrophobicContact CB-CB 4.22Å; P54-A125 HydrophobicContact CG-CB 4.29Å; P54-A126 HydrophobicContact CB-CB 4.16Å; P54-V129 HydrophobicContact CG-CB 4.08Å; P54-V129 HydrophobicContact CG-CG2 3.52Å
55	S	79.5	Confident	75.7	Confident	53 Å²	53	94.5 Å²	94.5	37%	0.371	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-61.3	149.9	177.8	72.5	0	0	0	0	110.2	T53 N57 S58 V59	T53-S55 PolarHBondContact O-N 2.67Å; S55-N57 PolarHBondContact O-N 3.48Å; S55-N57 VanDerWaalsContact O-N 3.15Å; S55-S58 PolarHBondContact N-OG 2.8Å; S55-S58 WeakPolarHBondContact O-CB 3.36Å; S55-S58 PolarHBondContact O-N 3.28Å; S55-S58 PolarHBondContact O-OG 2.87Å; S55-S58 PolarHBondContact OG-N 3.47Å; S55-V59 PolarHBondContact O-N 3.09Å
56	D	80.3	Confident	77.5	Confident	120 Å²	120	87.6 Å²	87.6	64%	0.642	46%	0.457	S	S	*	.	H	α-helix	trans	-53.4	-37.4	177.5	-174.4	39.8	0	0	0	111.9	S58 V59 N60	D56-S58 VanDerWaalsContact C-N 3.3Å; D56-S58 PolarHBondContact O-N 3.41Å; D56-V59 PolarHBondContact O-N 3.03Å; D56-N60 PolarHBondContact O-N 3.32Å; D56-N60 PolarHBondContact O-ND2 3.06Å; D56-N60 VanDerWaalsContact O-ND2 3.12Å
57	N	89.2	Confident	79.4	Confident	115 Å²	115	87.7 Å²	87.7	62%	0.615	45%	0.453	S	S	*	.	H	α-helix	trans	-57.2	-40.3	173.9	-64.9	-29.8	0	0	0	113.1	S55 N60 N61	S55-N57 PolarHBondContact O-N 3.48Å; S55-N57 VanDerWaalsContact O-N 3.15Å; N57-N60 PolarHBondContact O-N 3.06Å; N57-N61 PolarHBondContact O-N 3.26Å; N57-N61 PolarHBondContact O-ND2 3.48Å; N57-N61 PolarHBondContact O-OD1 3.25Å
58	S	88	Confident	81.5	Confident	4 Å²	4	82.7 Å²	82.7	3%	0.028	44%	0.441	C	S	.	.	H	α-helix	trans	-70.3	-32.7	-179.5	68.3	0	0	0	0	112.9	P54 S55 D56 N61 V62 E122 A126	P54-S58 WeakPolarHBondContact CB-OG 3.32Å; S55-S58 PolarHBondContact N-OG 2.8Å; S55-S58 WeakPolarHBondContact O-CB 3.36Å; S55-S58 PolarHBondContact O-N 3.28Å; S55-S58 PolarHBondContact O-OG 2.87Å; S55-S58 PolarHBondContact OG-N 3.47Å; D56-S58 VanDerWaalsContact C-N 3.3Å; D56-S58 PolarHBondContact O-N 3.41Å; S58-N61 WeakPolarHBondContact O-CB 3.27Å; S58-N61 PolarHBondContact O-N 3.45Å; S58-V62 PolarHBondContact O-N 2.85Å; S58-E122 VanDerWaalsContact CB-OE1 3.3Å; S58-E122 WeakPolarHBondContact CB-OE1 3.42Å; S58-A126 WeakPolarHBondContact O-CB 3.34Å
59	V	89.8	Confident	83.7	Confident	29 Å²	29	75.2 Å²	75.2	18%	0.176	42%	0.416	C	S	.	.	H	α-helix	trans	-70.7	-40.8	174.4	-179.4	0	0	0	0	110.2	P54 S55 D56 N61 V62 S63 A126 V129 F130	P54-V59 HydrophobicContact CB-CG2 4.48Å; P54-V59 HydrophobicContact CG-CG2 4.35Å; S55-V59 PolarHBondContact O-N 3.09Å; D56-V59 PolarHBondContact O-N 3.03Å; V59-N61 VanDerWaalsContact C-N 3.3Å; V59-N61 PolarHBondContact O-N 2.93Å; V59-V62 PolarHBondContact O-N 2.83Å; V59-V62 VanDerWaalsContact O-N 3.13Å; V59-S63 PolarHBondContact O-N 2.73Å; V59-S63 VanDerWaalsContact O-N 3.13Å; V59-A126 HydrophobicContact CG2-CB 4.48Å; V59-V129 HydrophobicContact CG2-CB 4.47Å; V59-V129 HydrophobicContact CG2-CG1 4.21Å; V59-F130 HydrophobicContact CG1-CB 4.19Å; V59-F130 HydrophobicContact CG1-CD2 3.98Å
60	N	91.4	Very high	86	Confident	75 Å²	75	71 Å²	71	40%	0.401	39%	0.392	S	S	.	.	H	α-helix	trans	-59.6	-40.7	173.1	-69.3	-38.4	0	0	0	111.8	D56 N57 V62 S63 D64	D56-N60 PolarHBondContact O-N 3.32Å; D56-N60 PolarHBondContact O-ND2 3.06Å; D56-N60 VanDerWaalsContact O-ND2 3.12Å; N57-N60 PolarHBondContact O-N 3.06Å; N60-V62 VanDerWaalsContact C-N 3.3Å; N60-V62 PolarHBondContact O-N 3Å; N60-S63 WeakPolarHBondContact O-CA 3.36Å; N60-S63 VanDerWaalsContact O-CB 3.29Å; N60-S63 WeakPolarHBondContact O-CB 3.36Å; N60-S63 PolarHBondContact O-N 2.69Å; N60-D64 PolarHBondContact O-N 3.03Å
61	N	94.5	Very high	88	Confident	88 Å²	88	64.5 Å²	64.5	47%	0.471	36%	0.364	S	S	.	.	H	α-helix	trans	-57.8	-42	174.3	-66.5	-18.5	0	0	0	112	N57 S58 V59 S63 D64 L65	N57-N61 PolarHBondContact O-N 3.26Å; N57-N61 PolarHBondContact O-ND2 3.48Å; N57-N61 PolarHBondContact O-OD1 3.25Å; S58-N61 WeakPolarHBondContact O-CB 3.27Å; S58-N61 PolarHBondContact O-N 3.45Å; V59-N61 VanDerWaalsContact C-N 3.3Å; V59-N61 PolarHBondContact O-N 2.93Å; N61-S63 VanDerWaalsContact C-N 3.32Å; N61-S63 PolarHBondContact O-N 3.35Å; N61-D64 PolarHBondContact O-N 3.38Å; N61-L65 VanDerWaalsContact O-CG 3.25Å; N61-L65 WeakPolarHBondContact O-CG 3.47Å; N61-L65 PolarHBondContact O-N 2.83Å
62	V	96.8	Very high	90.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63	-40.7	176.2	178.3	0	0	0	0	111	S58 V59 N60 D64 L65 V66 F74 L123 A126 A127 F130	S58-V62 PolarHBondContact O-N 2.85Å; V59-V62 PolarHBondContact O-N 2.83Å; V59-V62 VanDerWaalsContact O-N 3.13Å; N60-V62 VanDerWaalsContact C-N 3.3Å; N60-V62 PolarHBondContact O-N 3Å; V62-D64 VanDerWaalsContact C-N 3.27Å; V62-D64 PolarHBondContact O-N 3.22Å; V62-L65 PolarHBondContact O-N 3.02Å; V62-V66 HydrophobicContact CG1-CG1 4.33Å; V62-V66 WeakPolarHBondContact O-CG1 3.32Å; V62-V66 WeakPolarHBondContact O-CG2 3.21Å; V62-V66 PolarHBondContact O-N 3.37Å; V62-F74 HydrophobicContact CG1-CE2 4.22Å; V62-F74 HydrophobicContact CG1-CZ 3.94Å; V62-L123 HydrophobicContact CG2-CD1 3.86Å; V62-A126 HydrophobicContact CG2-CB 3.64Å; V62-A127 HydrophobicContact CG1-CB 4.32Å; V62-A127 HydrophobicContact CG2-CB 4.28Å; V62-F130 HydrophobicContact CB-CB 4.21Å; V62-F130 HydrophobicContact CB-CD1 4.5Å; V62-F130 HydrophobicContact CB-CG 4.17Å; V62-F130 HydrophobicContact CG1-CB 3.86Å; V62-F130 HydrophobicContact CG1-CD1 3.58Å; V62-F130 HydrophobicContact CG1-CD2 4.44Å; V62-F130 HydrophobicContact CG1-CE1 4.25Å; V62-F130 HydrophobicContact CG1-CG 3.69Å
63	S	96.5	Very high	91.7	Very high	22 Å²	22	52 Å²	52	15%	0.154	29%	0.289	C	S	.	.	H	α-helix	trans	-58	-40.4	175.5	-165.3	0	0	0	0	112.3	V59 N60 N61 V66 K67	V59-S63 PolarHBondContact O-N 2.73Å; V59-S63 VanDerWaalsContact O-N 3.13Å; N60-S63 WeakPolarHBondContact O-CA 3.36Å; N60-S63 VanDerWaalsContact O-CB 3.29Å; N60-S63 WeakPolarHBondContact O-CB 3.36Å; N60-S63 PolarHBondContact O-N 2.69Å; N61-S63 VanDerWaalsContact C-N 3.32Å; N61-S63 PolarHBondContact O-N 3.35Å; S63-V66 VanDerWaalsContact O-CG2 3.24Å; S63-V66 WeakPolarHBondContact O-CG2 3.35Å; S63-K67 WeakPolarHBondContact O-CD 3.35Å; S63-K67 VanDerWaalsContact O-CG 3.32Å; S63-K67 WeakPolarHBondContact O-CG 3.4Å; S63-K67 PolarHBondContact O-N 3.19Å; S63-K67 PolarHBondContact OG-NZ 3.49Å; S63-K67 VanDerWaalsContact OG-NZ 3.09Å
64	D	96.7	Very high	93	Very high	103 Å²	103	46.4 Å²	46.4	55%	0.551	26%	0.255	S	S	*	.	H	α-helix	trans	-70.8	-40.6	178	-66	-23.5	0	0	0	111.5	N60 N61 V62 V66 K67 G68	N60-D64 PolarHBondContact O-N 3.03Å; N61-D64 PolarHBondContact O-N 3.38Å; V62-D64 VanDerWaalsContact C-N 3.27Å; V62-D64 PolarHBondContact O-N 3.22Å; D64-V66 PolarHBondContact O-N 3.16Å; D64-K67 PolarHBondContact O-N 3.32Å; D64-G68 PolarHBondContact O-N 3.49Å; D64-G68 VanDerWaalsContact O-N 3.1Å
65	L	96.9	Very high	94.1	Very high	47 Å²	47	45.1 Å²	45.1	25%	0.246	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-45	177	-66.6	173.2	0	0	0	111.9	N61 V62 K67 G68 F74 Y115 L123	N61-L65 VanDerWaalsContact O-CG 3.25Å; N61-L65 WeakPolarHBondContact O-CG 3.47Å; N61-L65 PolarHBondContact O-N 2.83Å; V62-L65 PolarHBondContact O-N 3.02Å; L65-K67 PolarHBondContact O-N 3.13Å; L65-G68 PolarHBondContact O-N 2.96Å; L65-F74 HydrophobicContact CB-CZ 4.38Å; L65-F74 HydrophobicContact CD1-CE1 4.32Å; L65-F74 HydrophobicContact CD1-CZ 4.49Å; L65-Y115 HydrophobicContact CB-CE2 4.05Å; L65-Y115 HydrophobicContact CD1-CE1 4.48Å; L65-Y115 HydrophobicContact CD2-CE1 3.79Å; L65-Y115 HydrophobicContact CD2-CE2 4.39Å; L65-Y115 WeakPolarHBondContact CD2-OH 3.49Å; L65-L123 HydrophobicContact CD1-CD1 3.53Å
66	V	97.6	Very high	95	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-69	-21.1	-179.4	-60.6	0	0	0	0	113.5	V62 S63 D64 V72 F74 F130 Y140 G143	V62-V66 HydrophobicContact CG1-CG1 4.33Å; V62-V66 WeakPolarHBondContact O-CG1 3.32Å; V62-V66 WeakPolarHBondContact O-CG2 3.21Å; V62-V66 PolarHBondContact O-N 3.37Å; S63-V66 VanDerWaalsContact O-CG2 3.24Å; S63-V66 WeakPolarHBondContact O-CG2 3.35Å; D64-V66 PolarHBondContact O-N 3.16Å; V66-V72 HydrophobicContact CG1-CG1 4.3Å; V66-F74 HydrophobicContact CG1-CE2 3.7Å; V66-F74 HydrophobicContact CG1-CZ 4.12Å; V66-F130 HydrophobicContact CG1-CE1 4.29Å; V66-F130 HydrophobicContact CG2-CE1 3.86Å; V66-F130 HydrophobicContact CG2-CZ 3.91Å; V66-Y140 HydrophobicContact CB-CD1 4.12Å; V66-Y140 HydrophobicContact CB-CG 4.27Å; V66-Y140 HydrophobicContact CG1-CD1 3.72Å; V66-Y140 HydrophobicContact CG1-CD2 3.99Å; V66-Y140 HydrophobicContact CG1-CE1 3.91Å; V66-Y140 HydrophobicContact CG1-CE2 4.2Å; V66-Y140 HydrophobicContact CG1-CG 3.75Å; V66-G143 WeakPolarHBondContact O-CA 3.24Å; V66-G143 PolarHBondContact O-N 3.34Å
67	K	96.6	Very high	95.9	Very high	142 Å²	142	39.7 Å²	39.7	62%	0.617	21%	0.21	S	C	*	.	H	α-helix	trans	-88.8	-16	175.1	-70.1	169.3	-174.2	158	0	113.2	S63 D64 L65 S69	S63-K67 WeakPolarHBondContact O-CD 3.35Å; S63-K67 VanDerWaalsContact O-CG 3.32Å; S63-K67 WeakPolarHBondContact O-CG 3.4Å; S63-K67 PolarHBondContact O-N 3.19Å; S63-K67 PolarHBondContact OG-NZ 3.49Å; S63-K67 VanDerWaalsContact OG-NZ 3.09Å; D64-K67 PolarHBondContact O-N 3.32Å; L65-K67 PolarHBondContact O-N 3.13Å; K67-S69 VanDerWaalsContact C-N 3.31Å; K67-S69 PolarHBondContact O-N 3.33Å
68	G	95.6	Very high	96.3	Very high	42 Å²	42	36.6 Å²	36.6	43%	0.433	19%	0.193	S	C	.	.	S	Bend	trans	-77.2	-11.8	-176.8	0	0	0	0	0	114.7	D64 L65	D64-G68 PolarHBondContact O-N 3.49Å; D64-G68 VanDerWaalsContact O-N 3.1Å; L65-G68 PolarHBondContact O-N 2.96Å
69	S	97.1	Very high	96.7	Very high	18 Å²	18	37.6 Å²	37.6	13%	0.126	20%	0.2	C	C	.	.	S	Bend	trans	-147.7	152.2	176.8	-59.2	0	0	0	0	111.3	K67 I71 E110 A113	K67-S69 VanDerWaalsContact C-N 3.31Å; K67-S69 PolarHBondContact O-N 3.33Å; S69-I71 VanDerWaalsContact C-N 3.28Å; S69-I71 PolarHBondContact O-N 3.45Å; S69-E110 CarbonylContact C-O 3.56Å; S69-E110 WeakPolarHBondContact CA-O 3.48Å; S69-E110 VanDerWaalsContact CB-O 3.23Å; S69-E110 WeakPolarHBondContact CB-O 3.25Å; S69-A113 WeakPolarHBondContact OG-CB 3.29Å
70	R	97.3	Very high	97.1	Very high	88 Å²	88	43.5 Å²	43.5	33%	0.332	23%	0.231	S	C	.	.	S	Bend	trans	-60.8	-39	179.6	-57	-73.4	-69.1	156.8	12.3	111.4	E110 L111 F141 D142 L168 I170	R70-E110 PolarHBondContact N-O 3.29Å; R70-L111 HydrophobicContact CB-CD1 4.41Å; R70-F141 CarbonylContact O-C 3.52Å; R70-F141 VanDerWaalsContact O-CA 3.27Å; R70-F141 WeakPolarHBondContact O-CA 3.49Å; R70-D142 WeakPolarHBondContact CD-OD1 3.26Å; R70-D142 IonicContact CZ-OD1 3.01Å; R70-D142 IonicContact CZ-OD2 2.8Å; R70-D142 IonicContact NE-OD1 2.66Å; R70-D142 PolarHBondContact NE-OD1 3.37Å; R70-D142 IonicContact NH1-OD1 2.77Å; R70-D142 PolarHBondContact NH1-OD1 3.42Å; R70-D142 IonicContact NH1-OD2 3.25Å; R70-D142 PolarHBondContact NH1-OD2 2.93Å; R70-D142 IonicContact NH2-OD1 2.81Å; R70-D142 PolarHBondContact NH2-OD1 3.17Å; R70-D142 IonicContact NH2-OD2 3.48Å; R70-D142 PolarHBondContact NH2-OD2 2.88Å; R70-D142 PolarHBondContact O-N 3.01Å; R70-L168 PolarHBondContact NH2-O 3.17Å; R70-I170 HydrophobicContact CB-CD1 4.22Å
71	I	98.2	Very high	97.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.1	175.4	-56.8	178	0	0	0	108.8	S69 I99 L111 F112 A113 L139 Y140 F141 L165 I170	S69-I71 VanDerWaalsContact C-N 3.28Å; S69-I71 PolarHBondContact O-N 3.45Å; I71-I99 HydrophobicContact CD1-CB 4.49Å; I71-I99 HydrophobicContact CD1-CD1 4Å; I71-I99 HydrophobicContact CD1-CG1 4.16Å; I71-I99 HydrophobicContact CD1-CG2 3.53Å; I71-L111 WeakPolarHBondContact CB-O 3.2Å; I71-L111 PolarHBondContact N-O 3.5Å; I71-F112 HydrophobicContact CB-CD2 3.99Å; I71-F112 HydrophobicContact CG2-CD2 3.66Å; I71-F112 HydrophobicContact CG2-CE2 4.07Å; I71-F112 WeakPolarHBondContact O-CA 3.49Å; I71-A113 PolarHBondContact O-N 3.03Å; I71-L139 HydrophobicContact CG2-CD1 3.75Å; I71-Y140 WeakPolarHBondContact CA-O 3.48Å; I71-F141 HydrophobicContact CB-CD1 4.27Å; I71-F141 HydrophobicContact CB-CE1 4.42Å; I71-F141 HydrophobicContact CD1-CD1 4.4Å; I71-F141 HydrophobicContact CD1-CE1 4.08Å; I71-F141 HydrophobicContact CG1-CD1 3.75Å; I71-F141 HydrophobicContact CG1-CE1 3.89Å; I71-F141 HydrophobicContact CG2-CD1 4.06Å; I71-F141 HydrophobicContact CG2-CE1 3.87Å; I71-L165 HydrophobicContact CD1-CD2 4.23Å; I71-I170 HydrophobicContact CD1-CD1 3.9Å; I71-I170 HydrophobicContact CD1-CG2 4.28Å; I71-I170 HydrophobicContact CG1-CD1 3.81Å
72	V	98.6	Very high	97.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.9	175.8	175.2	0	0	0	0	110.8	V66 F74 A113 Y115 Y140	V66-V72 HydrophobicContact CG1-CG1 4.3Å; V72-F74 HydrophobicContact CG1-CD2 4.27Å; V72-F74 HydrophobicContact CG1-CE2 3.77Å; V72-F74 HydrophobicContact CG1-CZ 4.03Å; V72-A113 WeakPolarHBondContact CA-O 3.38Å; V72-A113 HydrophobicContact CG2-CB 4.43Å; V72-Y115 HydrophobicContact CG1-CD2 3.8Å; V72-Y115 HydrophobicContact CG1-CE2 3.62Å; V72-Y140 PolarHBondContact N-O 3.12Å; V72-Y140 PolarHBondContact O-N 3.31Å
73	L	98.7	Very high	97.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	112.9	179.3	176.1	59.2	0	0	0	111.1	M75 V90 L94 F112 A113 S114 Y115 P137 L139	L73-M75 HydrophobicContact CD1-CB 4.28Å; L73-M75 HydrophobicContact CD2-CB 4.33Å; L73-M75 HydrophobicContact CD2-CG 4.3Å; L73-M75 HydrophobicContact CD2-SD 3.64Å; L73-M75 HydrophobicContact CG-CB 4Å; L73-M75 HydrophobicContact CG-CG 4.15Å; L73-M75 HydrophobicContact CG-SD 4.13Å; L73-V90 HydrophobicContact CD1-CG1 3.74Å; L73-V90 HydrophobicContact CD2-CG1 4.02Å; L73-L94 HydrophobicContact CD2-CD1 4.03Å; L73-F112 HydrophobicContact CB-CE2 4.02Å; L73-F112 HydrophobicContact CB-CZ 4.13Å; L73-F112 HydrophobicContact CD2-CE2 4.46Å; L73-F112 HydrophobicContact CD2-CZ 4.17Å; L73-A113 PolarHBondContact N-O 3.23Å; L73-S114 CarbonylContact O-C 3.57Å; L73-S114 VanDerWaalsContact O-CA 3.27Å; L73-S114 WeakPolarHBondContact O-CA 3.25Å; L73-Y115 PolarHBondContact O-N 3.48Å; L73-P137 HydrophobicContact CD1-CB 3.92Å; L73-L139 HydrophobicContact CB-CD1 4.17Å; L73-L139 HydrophobicContact CD1-CD1 4.25Å
74	F	98.7	Very high	97.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.3	164.1	-62	-81.9	0	0	0	109.1	V62 L65 V66 V72 Y115 V117 L123 A127 F136 P137 Q138 Y140	V62-F74 HydrophobicContact CG1-CE2 4.22Å; V62-F74 HydrophobicContact CG1-CZ 3.94Å; L65-F74 HydrophobicContact CB-CZ 4.38Å; L65-F74 HydrophobicContact CD1-CE1 4.32Å; L65-F74 HydrophobicContact CD1-CZ 4.49Å; V66-F74 HydrophobicContact CG1-CE2 3.7Å; V66-F74 HydrophobicContact CG1-CZ 4.12Å; V72-F74 HydrophobicContact CG1-CD2 4.27Å; V72-F74 HydrophobicContact CG1-CE2 3.77Å; V72-F74 HydrophobicContact CG1-CZ 4.03Å; F74-Y115 HydrophobicContact CD1-CD2 4.07Å; F74-Y115 HydrophobicContact CD1-CG 4.27Å; F74-Y115 AromaticContact CE1-CD2 3.6Å; F74-Y115 HydrophobicContact CE1-CD2 3.6Å; F74-Y115 HydrophobicContact CE1-CE2 4.46Å; F74-Y115 AromaticContact CE1-CG 3.97Å; F74-Y115 HydrophobicContact CE1-CG 3.97Å; F74-Y115 HydrophobicContact CZ-CD2 4.05Å; F74-V117 HydrophobicContact CB-CG1 3.91Å; F74-V117 HydrophobicContact CD1-CG1 4.3Å; F74-L123 HydrophobicContact CD1-CD2 4.1Å; F74-L123 HydrophobicContact CD1-CG 4.31Å; F74-L123 HydrophobicContact CE1-CD1 3.85Å; F74-L123 HydrophobicContact CE1-CD2 4.02Å; F74-L123 HydrophobicContact CE1-CG 4.1Å; F74-A127 HydrophobicContact CD1-CB 4.43Å; F74-A127 HydrophobicContact CG-CB 4.43Å; F74-F136 HydrophobicContact CB-CD1 3.81Å; F74-F136 HydrophobicContact CB-CE1 3.61Å; F74-F136 HydrophobicContact CG-CE1 4.44Å; F74-P137 CarbonylContact O-C 3.09Å; F74-P137 VanDerWaalsContact O-CA 3.24Å; F74-P137 WeakPolarHBondContact O-CA 3.13Å; F74-Q138 HydrophobicContact CB-CB 4.35Å; F74-Q138 PolarHBondContact N-O 3.21Å; F74-Q138 PolarHBondContact O-N 3.14Å; F74-Y140 HydrophobicContact CD2-CD2 4Å; F74-Y140 AromaticContact CD2-CE2 3.57Å; F74-Y140 HydrophobicContact CD2-CE2 3.57Å; F74-Y140 HydrophobicContact CE2-CD2 4.01Å; F74-Y140 AromaticContact CE2-CE2 3.67Å; F74-Y140 HydrophobicContact CE2-CE2 3.67Å
75	M	98.7	Very high	97.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	169.4	-173.3	63.7	176.9	-64.4	0	0	112.2	L73 G77 N78 P79 P82 C91 Y115 D116 V117 P137	L73-M75 HydrophobicContact CD1-CB 4.28Å; L73-M75 HydrophobicContact CD2-CB 4.33Å; L73-M75 HydrophobicContact CD2-CG 4.3Å; L73-M75 HydrophobicContact CD2-SD 3.64Å; L73-M75 HydrophobicContact CG-CB 4Å; L73-M75 HydrophobicContact CG-CG 4.15Å; L73-M75 HydrophobicContact CG-SD 4.13Å; M75-G77 WeakPolarHBondContact CG-O 3.24Å; M75-N78 VanDerWaalsContact CE-C 3.47Å; M75-N78 WeakPolarHBondContact CE-O 3.43Å; M75-P79 HydrophobicContact SD-CG 4.08Å; M75-P82 HydrophobicContact CE-CB 3.92Å; M75-C91 WeakPolarHBondContact CE-SG 3.23Å; M75-Y115 PolarHBondContact N-O 3.02Å; M75-D116 WeakPolarHBondContact O-CA 3.46Å; M75-V117 WeakPolarHBondContact O-CG2 3.43Å; M75-V117 PolarHBondContact O-N 3.15Å; M75-P137 HydrophobicContact CB-CB 4.44Å
76	K	98.6	Very high	97.9	Very high	60 Å²	60	52.1 Å²	52.1	26%	0.261	27%	0.273	S	S	.	.	S	Bend	trans	-93.8	113.1	172.2	-67.6	176.9	-177.6	174	0	109	R83 C84 S87 V117 L118	K76-R83 PolarHBondContact O-N 3.46Å; K76-C84 HydrophobicContact CB-CB 3.81Å; K76-C84 HydrophobicContact CD-CB 3.74Å; K76-C84 HydrophobicContact CG-CB 4.38Å; K76-S87 PolarHBondContact N-OG 3.24Å; K76-S87 VanDerWaalsContact N-OG 3.16Å; K76-V117 HydrophobicContact CG-CG2 4.07Å; K76-L118 HydrophobicContact CB-CD1 3.87Å; K76-L118 HydrophobicContact CB-CD2 4.42Å; K76-L118 HydrophobicContact CB-CG 4.04Å; K76-L118 HydrophobicContact CD-CD2 4.44Å; K76-L118 HydrophobicContact CG-CD1 4.42Å; K76-L118 HydrophobicContact CG-CD2 4.06Å; K76-L118 HydrophobicContact CG-CG 4.14Å
77	G	98.1	Very high	97.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	89.6	-156.4	-166.3	0	0	0	0	0	111.7	M75 D116	M75-G77 WeakPolarHBondContact CG-O 3.24Å; G77-D116 VanDerWaalsContact CA-CG 3.49Å; G77-D116 WeakPolarHBondContact CA-OD2 3.33Å; G77-D116 PolarHBondContact N-OD1 2.82Å; G77-D116 PolarHBondContact N-OD2 3.26Å; G77-D116 VanDerWaalsContact O-CB 3.26Å; G77-D116 WeakPolarHBondContact O-CB 3.39Å; G77-D116 VanDerWaalsContact O-CG 3.24Å
78	N	97.7	Very high	98	Very high	49 Å²	49	48 Å²	48	26%	0.262	26%	0.258	S	S	.	.			trans	-129.9	170	175.8	65.5	68	0	0	0	110.1	M75 N80 E81 P82	M75-N78 VanDerWaalsContact CE-C 3.47Å; M75-N78 WeakPolarHBondContact CE-O 3.43Å; N78-N80 PolarHBondContact O-N 2.98Å; N78-N80 WeakPolarHBondContact OD1-CA 3.33Å; N78-N80 WeakPolarHBondContact OD1-CB 3.46Å; N78-N80 PolarHBondContact OD1-N 3.43Å; N78-E81 PolarHBondContact N-O 2.96Å; N78-E81 CarbonylContact O-C 3.55Å; N78-E81 PolarHBondContact O-N 3.42Å; N78-E81 VanDerWaalsContact O-N 3.1Å; N78-E81 PolarHBondContact OD1-N 3.34Å; N78-P82 WeakPolarHBondContact O-CA 3.13Å
79	P	97.6	Very high	98.1	Very high	26 Å²	26	47.4 Å²	47.4	17%	0.169	25%	0.249	C	C	.	.	S	Bend	trans	-59.1	-28.5	-176.7	-26.5	34	0	0	0	114.9	M75 L100 F112 S114	M75-P79 HydrophobicContact SD-CG 4.08Å; P79-L100 HydrophobicContact CB-CD1 4.24Å; P79-L100 HydrophobicContact CB-CD2 4.32Å; P79-F112 HydrophobicContact CG-CE1 3.79Å; P79-F112 HydrophobicContact CG-CZ 4Å; P79-S114 WeakPolarHBondContact CD-OG 3.42Å; P79-S114 WeakPolarHBondContact CG-OG 3.28Å
80	N	97.1	Very high	98.2	Very high	152 Å²	152	46.6 Å²	46.6	81%	0.813	24%	0.243	S	C	*	.	S	Bend	trans	-82	-32.8	177.3	-59.7	-41.9	0	0	0	111.8	N78	N78-N80 PolarHBondContact O-N 2.98Å; N78-N80 WeakPolarHBondContact OD1-CA 3.33Å; N78-N80 WeakPolarHBondContact OD1-CB 3.46Å; N78-N80 PolarHBondContact OD1-N 3.43Å
81	E	97.7	Very high	98.3	Very high	129 Å²	129	42.6 Å²	42.6	60%	0.603	23%	0.229	S	C	*	.	S	Bend	trans	-133	70.7	-176.7	-60.8	-178	162	0	0	111.4	N78 R83	N78-E81 PolarHBondContact N-O 2.96Å; N78-E81 CarbonylContact O-C 3.55Å; N78-E81 PolarHBondContact O-N 3.42Å; N78-E81 VanDerWaalsContact O-N 3.1Å; N78-E81 PolarHBondContact OD1-N 3.34Å; E81-R83 PolarHBondContact O-N 3.04Å
82	P	98.2	Very high	98.3	Very high	40 Å²	40	48.8 Å²	48.8	26%	0.26	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-69.4	130	178.8	26.7	-33.2	0	0	0	110.7	M75 N78 N88	M75-P82 HydrophobicContact CE-CB 3.92Å; N78-P82 WeakPolarHBondContact O-CA 3.13Å; P82-N88 HydrophobicContact CB-CB 3.86Å; P82-N88 HydrophobicContact CG-CB 3.74Å; P82-N88 WeakPolarHBondContact CG-OD1 3.38Å
83	R	98.3	Very high	98.3	Very high	139 Å²	139	49 Å²	49	53%	0.525	25%	0.253	S	S	.	.	S	Bend	trans	-97.7	9.2	-177.4	-61.8	-176.5	-174.3	163.1	2.3	113.4	K76 E81 D116 L118 E119	K76-R83 PolarHBondContact O-N 3.46Å; E81-R83 PolarHBondContact O-N 3.04Å; R83-D116 IonicContact NH1-OD2 3.91Å; R83-L118 HydrophobicContact CB-CD1 3.92Å; R83-L118 HydrophobicContact CG-CD1 4.4Å; R83-E119 IonicContact CZ-OE1 3.48Å; R83-E119 IonicContact NH1-OE1 2.79Å; R83-E119 PolarHBondContact NH1-OE1 3.35Å; R83-E119 IonicContact NH2-OE1 3.26Å; R83-E119 PolarHBondContact NH2-OE1 3.45Å
84	C	98.2	Very high	98.2	Very high	29 Å²	29	49 Å²	49	20%	0.196	25%	0.253	C	S	.	.	S	Bend	trans	-148.9	140.1	179.8	-176.7	0	0	0	0	111.2	K76 F86 S87 N88	K76-C84 HydrophobicContact CB-CB 3.81Å; K76-C84 HydrophobicContact CD-CB 3.74Å; K76-C84 HydrophobicContact CG-CB 4.38Å; C84-F86 VanDerWaalsContact C-N 3.34Å; C84-F86 PolarHBondContact O-N 3.06Å; C84-S87 WeakPolarHBondContact O-CB 3.35Å; C84-S87 PolarHBondContact O-N 3.13Å; C84-S87 VanDerWaalsContact O-N 3.12Å; C84-N88 PolarHBondContact O-N 3.32Å
85	G	98.4	Very high	98.2	Very high	59 Å²	59	53.8 Å²	53.8	61%	0.608	28%	0.275	S	S	*	.	H	α-helix	trans	-57.5	-40.9	-179.5	0	0	0	0	0	114.1	N88 A89	G85-N88 PolarHBondContact O-N 3.28Å; G85-A89 PolarHBondContact O-N 3.13Å
86	F	98.4	Very high	98.1	Very high	121 Å²	121	58.1 Å²	58.1	53%	0.531	30%	0.297	S	S	.	.	H	α-helix	trans	-66.1	-39.2	176	-63.2	-68	0	0	0	112.5	C84 A89 V90 C149	C84-F86 VanDerWaalsContact C-N 3.34Å; C84-F86 PolarHBondContact O-N 3.06Å; F86-A89 PolarHBondContact O-N 3.37Å; F86-V90 PolarHBondContact O-N 3.5Å; F86-C149 HydrophobicContact CB-CB 4.11Å; F86-C149 HydrophobicContact CD1-CB 4.19Å
87	S	98.5	Very high	98.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.6	-44	175	-64.1	0	0	0	0	111.3	K76 C84 A89 V90 C91	K76-S87 PolarHBondContact N-OG 3.24Å; K76-S87 VanDerWaalsContact N-OG 3.16Å; C84-S87 WeakPolarHBondContact O-CB 3.35Å; C84-S87 PolarHBondContact O-N 3.13Å; C84-S87 VanDerWaalsContact O-N 3.12Å; S87-A89 VanDerWaalsContact C-N 3.33Å; S87-A89 PolarHBondContact O-N 2.98Å; S87-V90 PolarHBondContact O-N 3.22Å; S87-C91 PolarHBondContact O-N 3.1Å; S87-C91 PolarHBondContact O-SG 3.31Å
88	N	98.5	Very high	98	Very high	57 Å²	57	55.5 Å²	55.5	31%	0.305	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-42.1	174.6	-177.9	48.5	0	0	0	111.7	P82 C84 G85 V90 C91 R92	P82-N88 HydrophobicContact CB-CB 3.86Å; P82-N88 HydrophobicContact CG-CB 3.74Å; P82-N88 WeakPolarHBondContact CG-OD1 3.38Å; C84-N88 PolarHBondContact O-N 3.32Å; G85-N88 PolarHBondContact O-N 3.28Å; N88-V90 VanDerWaalsContact C-N 3.34Å; N88-V90 PolarHBondContact O-N 3.19Å; N88-C91 WeakPolarHBondContact O-CB 3.22Å; N88-C91 PolarHBondContact O-N 3.29Å; N88-R92 WeakPolarHBondContact O-CG 3.42Å; N88-R92 PolarHBondContact O-N 3.45Å; N88-R92 PolarHBondContact OD1-NE 3.39Å
89	A	98.5	Very high	98	Very high	28 Å²	28	53.1 Å²	53.1	23%	0.231	27%	0.274	C	S	.	.	H	α-helix	trans	-58.1	-44.2	177.6	0	0	0	0	0	112.3	G85 F86 S87 R92 I93	G85-A89 PolarHBondContact O-N 3.13Å; F86-A89 PolarHBondContact O-N 3.37Å; S87-A89 VanDerWaalsContact C-N 3.33Å; S87-A89 PolarHBondContact O-N 2.98Å; A89-R92 PolarHBondContact O-N 3.46Å; A89-I93 WeakPolarHBondContact O-CG1 3.5Å; A89-I93 PolarHBondContact O-N 2.98Å; A89-I93 VanDerWaalsContact O-N 3.08Å
90	V	98.6	Very high	97.9	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-44.4	174.4	169	0	0	0	0	111.7	L73 F86 S87 N88 R92 I93 L94 P137 C149 L152	L73-V90 HydrophobicContact CD1-CG1 3.74Å; L73-V90 HydrophobicContact CD2-CG1 4.02Å; F86-V90 PolarHBondContact O-N 3.5Å; S87-V90 PolarHBondContact O-N 3.22Å; N88-V90 VanDerWaalsContact C-N 3.34Å; N88-V90 PolarHBondContact O-N 3.19Å; V90-R92 VanDerWaalsContact C-N 3.3Å; V90-R92 PolarHBondContact O-N 3.48Å; V90-I93 PolarHBondContact O-N 3.39Å; V90-L94 HydrophobicContact CG1-CD1 4.14Å; V90-L94 HydrophobicContact CG1-CG 4.44Å; V90-L94 WeakPolarHBondContact O-CG 3.12Å; V90-L94 PolarHBondContact O-N 2.9Å; V90-P137 HydrophobicContact CB-CB 4.44Å; V90-P137 HydrophobicContact CB-CG 4.07Å; V90-P137 HydrophobicContact CG2-CB 4.11Å; V90-P137 HydrophobicContact CG2-CG 3.37Å; V90-C149 HydrophobicContact CG2-CB 4.1Å; V90-L152 HydrophobicContact CB-CD2 4.11Å; V90-L152 HydrophobicContact CG1-CD2 3.64Å; V90-L152 HydrophobicContact CG2-CD2 3.85Å
91	C	98.5	Very high	97.9	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.027	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-42.5	176	-63.2	0	0	0	0	112.2	M75 S87 N88 L94 E95	M75-C91 WeakPolarHBondContact CE-SG 3.23Å; S87-C91 PolarHBondContact O-N 3.1Å; S87-C91 PolarHBondContact O-SG 3.31Å; N88-C91 WeakPolarHBondContact O-CB 3.22Å; N88-C91 PolarHBondContact O-N 3.29Å; C91-L94 PolarHBondContact O-N 2.81Å; C91-E95 WeakPolarHBondContact O-CB 3.46Å; C91-E95 PolarHBondContact O-N 3.28Å
92	R	98.3	Very high	97.8	Very high	130 Å²	130	48 Å²	48	49%	0.491	24%	0.242	S	C	.	.	H	α-helix	trans	-65.6	-37.5	177.6	-64.2	-55.2	172.9	174.4	-0.6	113	N88 A89 V90 E95 M96	N88-R92 WeakPolarHBondContact O-CG 3.42Å; N88-R92 PolarHBondContact O-N 3.45Å; N88-R92 PolarHBondContact OD1-NE 3.39Å; A89-R92 PolarHBondContact O-N 3.46Å; V90-R92 VanDerWaalsContact C-N 3.3Å; V90-R92 PolarHBondContact O-N 3.48Å; R92-E95 VanDerWaalsContact CD-OE2 3.23Å; R92-E95 WeakPolarHBondContact CD-OE2 3.46Å; R92-E95 IonicContact CZ-OE2 3.61Å; R92-E95 IonicContact NE-OE2 3.82Å; R92-E95 IonicContact NH1-OE1 3.65Å; R92-E95 IonicContact NH1-OE2 2.73Å; R92-E95 PolarHBondContact NH1-OE2 2.94Å; R92-E95 PolarHBondContact O-N 3.43Å; R92-M96 WeakPolarHBondContact O-CG 3.34Å; R92-M96 PolarHBondContact O-N 2.87Å
93	I	98.4	Very high	97.6	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-50.1	173.4	-65.1	164.2	0	0	0	110	A89 V90 E95 M96 H97 L152 L153 H156 L161	A89-I93 WeakPolarHBondContact O-CG1 3.5Å; A89-I93 PolarHBondContact O-N 2.98Å; A89-I93 VanDerWaalsContact O-N 3.08Å; V90-I93 PolarHBondContact O-N 3.39Å; I93-E95 VanDerWaalsContact C-N 3.26Å; I93-E95 PolarHBondContact O-N 2.9Å; I93-M96 HydrophobicContact CG1-CE 4.22Å; I93-M96 PolarHBondContact O-N 3.49Å; I93-M96 VanDerWaalsContact O-N 3.14Å; I93-H97 PolarHBondContact O-CD2 3.34Å; I93-H97 VanDerWaalsContact O-CD2 3.25Å; I93-H97 PolarHBondContact O-N 3.21Å; I93-L152 HydrophobicContact CB-CD2 4.33Å; I93-L152 HydrophobicContact CD1-CB 4.42Å; I93-L152 HydrophobicContact CD1-CD2 4.11Å; I93-L152 HydrophobicContact CD1-CG 4.1Å; I93-L152 HydrophobicContact CG2-CD2 4.19Å; I93-L152 HydrophobicContact CG2-CG 4.2Å; I93-L153 HydrophobicContact CD1-CD2 3.66Å; I93-L153 HydrophobicContact CD1-CG 3.86Å; I93-L153 HydrophobicContact CG1-CD2 4.42Å; I93-H156 HydrophobicContact CG2-CB 3.98Å; I93-L161 HydrophobicContact CG2-CD2 3.49Å; I93-L161 VanDerWaalsContact CG2-CD2 3.49Å
94	L	98.2	Very high	97.4	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-36	178.8	-65.9	177.2	0	0	0	112.5	L73 V90 C91 H97 G98 I99 L100 F112 L139	L73-L94 HydrophobicContact CD2-CD1 4.03Å; V90-L94 HydrophobicContact CG1-CD1 4.14Å; V90-L94 HydrophobicContact CG1-CG 4.44Å; V90-L94 WeakPolarHBondContact O-CG 3.12Å; V90-L94 PolarHBondContact O-N 2.9Å; C91-L94 PolarHBondContact O-N 2.81Å; L94-H97 PolarHBondContact O-N 3.4Å; L94-G98 PolarHBondContact O-N 2.66Å; L94-I99 HydrophobicContact CB-CB 4.27Å; L94-I99 HydrophobicContact CD2-CB 4.48Å; L94-I99 HydrophobicContact CD2-CG1 4.3Å; L94-I99 WeakPolarHBondContact O-CB 3.49Å; L94-I99 PolarHBondContact O-N 3.36Å; L94-L100 HydrophobicContact CB-CD2 4.41Å; L94-L100 HydrophobicContact CB-CG 4.18Å; L94-F112 HydrophobicContact CD1-CE2 3.73Å; L94-F112 HydrophobicContact CD1-CZ 4.34Å; L94-L139 HydrophobicContact CD1-CD1 4.26Å; L94-L139 HydrophobicContact CD2-CD2 4.41Å
95	E	97.4	Very high	97.2	Very high	99 Å²	99	50.3 Å²	50.3	46%	0.463	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-48.2	172.6	-171.2	178.6	-165.5	0	0	111.7	C91 R92 I93 H97 G98 L100	C91-E95 WeakPolarHBondContact O-CB 3.46Å; C91-E95 PolarHBondContact O-N 3.28Å; R92-E95 VanDerWaalsContact CD-OE2 3.23Å; R92-E95 WeakPolarHBondContact CD-OE2 3.46Å; R92-E95 IonicContact CZ-OE2 3.61Å; R92-E95 IonicContact NE-OE2 3.82Å; R92-E95 IonicContact NH1-OE1 3.65Å; R92-E95 IonicContact NH1-OE2 2.73Å; R92-E95 PolarHBondContact NH1-OE2 2.94Å; R92-E95 PolarHBondContact O-N 3.43Å; I93-E95 VanDerWaalsContact C-N 3.26Å; I93-E95 PolarHBondContact O-N 2.9Å; E95-H97 VanDerWaalsContact C-N 3.27Å; E95-H97 PolarHBondContact O-N 2.91Å; E95-G98 WeakPolarHBondContact O-CA 3.46Å; E95-G98 PolarHBondContact O-N 3.11Å; E95-L100 HydrophobicContact CB-CD1 4.26Å
96	M	97.2	Very high	96.7	Very high	91 Å²	91	49.8 Å²	49.8	45%	0.448	26%	0.262	S	S	.	.	H	α-helix	trans	-60.9	-34.8	177	-72.6	-172.2	-64.9	0	0	112.9	R92 I93 G98 H156 L174	R92-M96 WeakPolarHBondContact O-CG 3.34Å; R92-M96 PolarHBondContact O-N 2.87Å; I93-M96 HydrophobicContact CG1-CE 4.22Å; I93-M96 PolarHBondContact O-N 3.49Å; I93-M96 VanDerWaalsContact O-N 3.14Å; M96-G98 PolarHBondContact O-N 3.21Å; M96-H156 VanDerWaalsContact CE-NE2 3.34Å; M96-H156 WeakPolarHBondContact CE-NE2 3.16Å; M96-L174 HydrophobicContact CB-CD1 4.44Å; M96-L174 WeakPolarHBondContact O-CD2 3.49Å; M96-L174 WeakPolarHBondContact O-CG 3.26Å
97	H	97.6	Very high	96.4	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-3	174.1	-77.3	-95.6	0	0	0	113.2	I93 L94 E95 I99 H156 L161 T162 L165 S172 A173	I93-H97 PolarHBondContact O-CD2 3.34Å; I93-H97 VanDerWaalsContact O-CD2 3.25Å; I93-H97 PolarHBondContact O-N 3.21Å; L94-H97 PolarHBondContact O-N 3.4Å; E95-H97 VanDerWaalsContact C-N 3.27Å; E95-H97 PolarHBondContact O-N 2.91Å; H97-I99 VanDerWaalsContact C-N 3.32Å; H97-I99 HydrophobicContact CB-CG1 4.12Å; H97-H156 AromaticContact CD2-ND1 3.68Å; H97-H156 AromaticContact NE2-CE1 3.82Å; H97-H156 AromaticContact NE2-ND1 2.97Å; H97-H156 PolarHBondContact NE2-ND1 2.95Å; H97-L161 WeakPolarHBondContact NE2-CD2 3.49Å; H97-T162 PolarHBondContact CE1-OG1 3.33Å; H97-T162 VanDerWaalsContact CE1-OG1 3.23Å; H97-L165 HydrophobicContact CB-CD1 3.96Å; H97-L165 WeakPolarHBondContact ND1-CD1 3.34Å; H97-S172 PolarHBondContact ND1-OG 3.4Å; H97-A173 PolarHBondContact O-N 3.26Å
98	G	96.7	Very high	96.1	Very high	4 Å²	4	53.7 Å²	53.7	4%	0.041	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	12.6	178	0	0	0	0	0	114.4	L94 E95 M96 K102	L94-G98 PolarHBondContact O-N 2.66Å; E95-G98 WeakPolarHBondContact O-CA 3.46Å; E95-G98 PolarHBondContact O-N 3.11Å; M96-G98 PolarHBondContact O-N 3.21Å; G98-K102 WeakPolarHBondContact O-CB 3.3Å; G98-K102 WeakPolarHBondContact O-CG 3.46Å; G98-K102 PolarHBondContact O-N 3.37Å
99	I	97.5	Very high	95.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-69.3	-48.1	-175.9	-58.9	-54.2	0	0	0	111.2	I71 L94 H97 E101 K102 A103 F112 L165 I170	I71-I99 HydrophobicContact CD1-CB 4.49Å; I71-I99 HydrophobicContact CD1-CD1 4Å; I71-I99 HydrophobicContact CD1-CG1 4.16Å; I71-I99 HydrophobicContact CD1-CG2 3.53Å; L94-I99 HydrophobicContact CB-CB 4.27Å; L94-I99 HydrophobicContact CD2-CB 4.48Å; L94-I99 HydrophobicContact CD2-CG1 4.3Å; L94-I99 WeakPolarHBondContact O-CB 3.49Å; L94-I99 PolarHBondContact O-N 3.36Å; H97-I99 VanDerWaalsContact C-N 3.32Å; H97-I99 HydrophobicContact CB-CG1 4.12Å; I99-E101 VanDerWaalsContact C-N 3.28Å; I99-E101 PolarHBondContact O-N 3.23Å; I99-K102 PolarHBondContact O-N 2.97Å; I99-A103 WeakPolarHBondContact O-CB 3.46Å; I99-A103 PolarHBondContact O-N 3.47Å; I99-F112 HydrophobicContact CG2-CB 4.43Å; I99-F112 HydrophobicContact CG2-CD2 4.07Å; I99-F112 HydrophobicContact CG2-CG 4.45Å; I99-L165 HydrophobicContact CD1-CD1 4.31Å; I99-L165 HydrophobicContact CD1-CD2 4.11Å; I99-I170 HydrophobicContact CD1-CG2 3.57Å
100	L	96.8	Very high	95.5	Very high	26 Å²	26	61 Å²	61	14%	0.136	33%	0.326	C	S	.	.	H	α-helix	trans	-65.5	-34	-179.7	-59.7	-174.1	0	0	0	111.9	P79 L94 E95 S104 F112	P79-L100 HydrophobicContact CB-CD1 4.24Å; P79-L100 HydrophobicContact CB-CD2 4.32Å; L94-L100 HydrophobicContact CB-CD2 4.41Å; L94-L100 HydrophobicContact CB-CG 4.18Å; E95-L100 HydrophobicContact CB-CD1 4.26Å; L100-S104 WeakPolarHBondContact O-CB 3.33Å; L100-S104 PolarHBondContact O-N 3.03Å; L100-S104 PolarHBondContact O-OG 2.74Å; L100-F112 HydrophobicContact CD2-CD1 4.03Å; L100-F112 HydrophobicContact CD2-CD2 4.45Å; L100-F112 HydrophobicContact CD2-CE1 3.61Å; L100-F112 HydrophobicContact CD2-CE2 4.09Å; L100-F112 HydrophobicContact CD2-CG 4.44Å; L100-F112 HydrophobicContact CD2-CZ 3.64Å
101	E	95.5	Very high	95.5	Very high	112 Å²	112	61.5 Å²	61.5	52%	0.523	33%	0.328	S	S	.	.	H	α-helix	trans	-66.1	-47.4	174.2	-169.5	-165.6	159.4	0	0	111.1	I99 A103 S104 K105	I99-E101 VanDerWaalsContact C-N 3.28Å; I99-E101 PolarHBondContact O-N 3.23Å; E101-A103 VanDerWaalsContact C-N 3.34Å; E101-A103 PolarHBondContact O-N 2.89Å; E101-S104 PolarHBondContact O-N 3.35Å; E101-K105 WeakPolarHBondContact O-CG 3.46Å; E101-K105 PolarHBondContact O-N 2.61Å; E101-K105 WeakPolarHBondContact OE1-CE 3.38Å; E101-K105 IonicContact OE1-NZ 2.67Å; E101-K105 PolarHBondContact OE1-NZ 3.15Å
102	K	95.9	Very high	95.4	Very high	61 Å²	61	62.8 Å²	62.8	27%	0.265	33%	0.334	S	S	.	.	H	α-helix	trans	-59.1	-44.6	176	-73.6	170.6	-177.6	-176.9	0	111.8	G98 I99 S104 K105 L111 I170 G171	G98-K102 WeakPolarHBondContact O-CB 3.3Å; G98-K102 WeakPolarHBondContact O-CG 3.46Å; G98-K102 PolarHBondContact O-N 3.37Å; I99-K102 PolarHBondContact O-N 2.97Å; K102-S104 VanDerWaalsContact C-N 3.29Å; K102-S104 PolarHBondContact O-N 3.31Å; K102-K105 PolarHBondContact O-N 2.89Å; K102-L111 HydrophobicContact CB-CD2 3.41Å; K102-L111 VanDerWaalsContact CB-CD2 3.41Å; K102-L111 HydrophobicContact CD-CD2 4.3Å; K102-L111 HydrophobicContact CG-CD2 4.48Å; K102-I170 PolarHBondContact NZ-O 3.42Å; K102-G171 VanDerWaalsContact NZ-C 3.33Å; K102-G171 PolarHBondContact NZ-O 3.12Å
103	A	95.2	Very high	95.4	Very high	29 Å²	29	57.4 Å²	57.4	24%	0.24	32%	0.317	C	S	.	.	H	α-helix	trans	-61.2	-39.2	176.7	0	0	0	0	0	111.9	I99 E101 K105 G106 F112	I99-A103 WeakPolarHBondContact O-CB 3.46Å; I99-A103 PolarHBondContact O-N 3.47Å; E101-A103 VanDerWaalsContact C-N 3.34Å; E101-A103 PolarHBondContact O-N 2.89Å; A103-K105 VanDerWaalsContact C-N 3.35Å; A103-K105 PolarHBondContact O-N 3.36Å; A103-G106 PolarHBondContact O-N 3.44Å; A103-F112 HydrophobicContact CB-CB 3.71Å; A103-F112 HydrophobicContact CB-CD1 4.3Å; A103-F112 HydrophobicContact CB-CG 4.34Å
104	S	94.1	Very high	95.4	Very high	105 Å²	105	59.2 Å²	59.2	73%	0.734	33%	0.33	S	S	*	.	H	α-helix	trans	-72.5	-25	178.9	-57.5	0	0	0	0	113.6	L100 E101 K102 G106	L100-S104 WeakPolarHBondContact O-CB 3.33Å; L100-S104 PolarHBondContact O-N 3.03Å; L100-S104 PolarHBondContact O-OG 2.74Å; E101-S104 PolarHBondContact O-N 3.35Å; K102-S104 VanDerWaalsContact C-N 3.29Å; K102-S104 PolarHBondContact O-N 3.31Å; S104-G106 VanDerWaalsContact C-N 3.34Å
105	K	94	Very high	95.4	Very high	122 Å²	122	62 Å²	62	53%	0.53	34%	0.341	S	S	.	.	H	α-helix	trans	-71	-28.9	176.5	-76	173.1	-178.5	167.9	0	112.9	E101 K102 A103	E101-K105 WeakPolarHBondContact O-CG 3.46Å; E101-K105 PolarHBondContact O-N 2.61Å; E101-K105 WeakPolarHBondContact OE1-CE 3.38Å; E101-K105 IonicContact OE1-NZ 2.67Å; E101-K105 PolarHBondContact OE1-NZ 3.15Å; K102-K105 PolarHBondContact O-N 2.89Å; A103-K105 VanDerWaalsContact C-N 3.35Å; A103-K105 PolarHBondContact O-N 3.36Å
106	G	88.1	Confident	95.4	Very high	48 Å²	48	58.7 Å²	58.7	50%	0.495	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	14.9	177.2	0	0	0	0	0	115.1	A103 S104 D108	A103-G106 PolarHBondContact O-N 3.44Å; S104-G106 VanDerWaalsContact C-N 3.34Å; G106-D108 PolarHBondContact O-N 3.24Å
107	D	90.7	Very high	95.5	Very high	142 Å²	142	54.3 Å²	54.3	76%	0.759	30%	0.304	S	S	*	.	S	Bend	trans	-64.1	-33.1	174.1	-65	-42	0	0	0	111.6
108	D	92.2	Very high	95.5	Very high	61 Å²	61	57.6 Å²	57.6	33%	0.326	32%	0.321	S	S	.	.			trans	-134.8	102	175.2	178.6	5.1	0	0	0	109.5	G106 E110 L111	G106-D108 PolarHBondContact O-N 3.24Å; D108-E110 PolarHBondContact O-N 3.48Å; D108-E110 PolarHBondContact OD1-N 3.39Å; D108-L111 HydrophobicContact CB-CB 4Å; D108-L111 WeakPolarHBondContact O-CB 3.27Å; D108-L111 PolarHBondContact O-N 2.91Å; D108-L111 PolarHBondContact OD1-N 3.29Å
109	P	91.7	Very high	95.5	Very high	111 Å²	111	63.6 Å²	63.6	72%	0.721	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.8	-178.3	28.7	-34.6	0	0	0	113.2
110	E	94	Very high	95.3	Very high	129 Å²	129	67 Å²	67	60%	0.603	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	7.7	-179.5	-63.2	-179.7	175.7	0	0	111.7	S69 R70 D108	S69-E110 CarbonylContact C-O 3.56Å; S69-E110 WeakPolarHBondContact CA-O 3.48Å; S69-E110 VanDerWaalsContact CB-O 3.23Å; S69-E110 WeakPolarHBondContact CB-O 3.25Å; R70-E110 PolarHBondContact N-O 3.29Å; D108-E110 PolarHBondContact O-N 3.48Å; D108-E110 PolarHBondContact OD1-N 3.39Å
111	L	96.7	Very high	95.2	Very high	11 Å²	11	71.1 Å²	71.1	6%	0.058	39%	0.385	C	S	.	.	S	Bend	trans	-66.2	-45.4	-177.1	179.5	62.2	0	0	0	112.9	R70 I71 K102 D108 I170	R70-L111 HydrophobicContact CB-CD1 4.41Å; I71-L111 WeakPolarHBondContact CB-O 3.2Å; I71-L111 PolarHBondContact N-O 3.5Å; K102-L111 HydrophobicContact CB-CD2 3.41Å; K102-L111 VanDerWaalsContact CB-CD2 3.41Å; K102-L111 HydrophobicContact CD-CD2 4.3Å; K102-L111 HydrophobicContact CG-CD2 4.48Å; D108-L111 HydrophobicContact CB-CB 4Å; D108-L111 WeakPolarHBondContact O-CB 3.27Å; D108-L111 PolarHBondContact O-N 2.91Å; D108-L111 PolarHBondContact OD1-N 3.29Å; L111-I170 HydrophobicContact CD1-CG1 4.23Å; L111-I170 HydrophobicContact CD1-CG2 3.82Å
112	F	98	Very high	95.2	Very high	32 Å²	32	70.9 Å²	70.9	14%	0.14	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	127.2	-169.8	177.7	-95.7	0	0	0	111.8	I71 L73 P79 L94 I99 L100 A103	I71-F112 HydrophobicContact CB-CD2 3.99Å; I71-F112 HydrophobicContact CG2-CD2 3.66Å; I71-F112 HydrophobicContact CG2-CE2 4.07Å; I71-F112 WeakPolarHBondContact O-CA 3.49Å; L73-F112 HydrophobicContact CB-CE2 4.02Å; L73-F112 HydrophobicContact CB-CZ 4.13Å; L73-F112 HydrophobicContact CD2-CE2 4.46Å; L73-F112 HydrophobicContact CD2-CZ 4.17Å; P79-F112 HydrophobicContact CG-CE1 3.79Å; P79-F112 HydrophobicContact CG-CZ 4Å; L94-F112 HydrophobicContact CD1-CE2 3.73Å; L94-F112 HydrophobicContact CD1-CZ 4.34Å; I99-F112 HydrophobicContact CG2-CB 4.43Å; I99-F112 HydrophobicContact CG2-CD2 4.07Å; I99-F112 HydrophobicContact CG2-CG 4.45Å; L100-F112 HydrophobicContact CD2-CD1 4.03Å; L100-F112 HydrophobicContact CD2-CD2 4.45Å; L100-F112 HydrophobicContact CD2-CE1 3.61Å; L100-F112 HydrophobicContact CD2-CE2 4.09Å; L100-F112 HydrophobicContact CD2-CG 4.44Å; L100-F112 HydrophobicContact CD2-CZ 3.64Å; A103-F112 HydrophobicContact CB-CB 3.71Å; A103-F112 HydrophobicContact CB-CD1 4.3Å; A103-F112 HydrophobicContact CB-CG 4.34Å
113	A	97.8	Very high	95.2	Very high	17 Å²	17	68.9 Å²	68.9	14%	0.14	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.7	169.8	0	0	0	0	0	110.8	S69 I71 V72 L73 Y115	S69-A113 WeakPolarHBondContact OG-CB 3.29Å; I71-A113 PolarHBondContact O-N 3.03Å; V72-A113 WeakPolarHBondContact CA-O 3.38Å; V72-A113 HydrophobicContact CG2-CB 4.43Å; L73-A113 PolarHBondContact N-O 3.23Å; A113-Y115 HydrophobicContact CB-CE2 4.08Å
114	S	97.9	Very high	95.3	Very high	41 Å²	41	70.8 Å²	70.8	29%	0.287	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.3	174.2	65.6	0	0	0	0	111	L73 P79	L73-S114 CarbonylContact O-C 3.57Å; L73-S114 VanDerWaalsContact O-CA 3.27Å; L73-S114 WeakPolarHBondContact O-CA 3.25Å; P79-S114 WeakPolarHBondContact CD-OG 3.42Å; P79-S114 WeakPolarHBondContact CG-OG 3.28Å
115	Y	98.3	Very high	95.4	Very high	61 Å²	61	67.2 Å²	67.2	24%	0.239	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.4	178.6	-57.5	-77.2	0	0	0	110.7	L65 V72 L73 F74 M75 A113 V117 L123	L65-Y115 HydrophobicContact CB-CE2 4.05Å; L65-Y115 HydrophobicContact CD1-CE1 4.48Å; L65-Y115 HydrophobicContact CD2-CE1 3.79Å; L65-Y115 HydrophobicContact CD2-CE2 4.39Å; L65-Y115 WeakPolarHBondContact CD2-OH 3.49Å; V72-Y115 HydrophobicContact CG1-CD2 3.8Å; V72-Y115 HydrophobicContact CG1-CE2 3.62Å; L73-Y115 PolarHBondContact O-N 3.48Å; F74-Y115 HydrophobicContact CD1-CD2 4.07Å; F74-Y115 HydrophobicContact CD1-CG 4.27Å; F74-Y115 AromaticContact CE1-CD2 3.6Å; F74-Y115 HydrophobicContact CE1-CD2 3.6Å; F74-Y115 HydrophobicContact CE1-CE2 4.46Å; F74-Y115 AromaticContact CE1-CG 3.97Å; F74-Y115 HydrophobicContact CE1-CG 3.97Å; F74-Y115 HydrophobicContact CZ-CD2 4.05Å; M75-Y115 PolarHBondContact N-O 3.02Å; A113-Y115 HydrophobicContact CB-CE2 4.08Å; Y115-V117 PolarHBondContact O-N 3.11Å; Y115-L123 HydrophobicContact CG-CD2 4.5Å
116	D	98.3	Very high	95.6	Very high	28 Å²	28	61.4 Å²	61.4	15%	0.15	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	109.9	176.9	-168.3	-8	0	0	0	110.6	M75 G77 R83 L118 E119	M75-D116 WeakPolarHBondContact O-CA 3.46Å; G77-D116 VanDerWaalsContact CA-CG 3.49Å; G77-D116 WeakPolarHBondContact CA-OD2 3.33Å; G77-D116 PolarHBondContact N-OD1 2.82Å; G77-D116 PolarHBondContact N-OD2 3.26Å; G77-D116 VanDerWaalsContact O-CB 3.26Å; G77-D116 WeakPolarHBondContact O-CB 3.39Å; G77-D116 VanDerWaalsContact O-CG 3.24Å; R83-D116 IonicContact NH1-OD2 3.91Å; D116-L118 PolarHBondContact O-N 3.31Å; D116-L118 VanDerWaalsContact OD1-CB 3.27Å; D116-L118 WeakPolarHBondContact OD1-CB 3.42Å; D116-L118 WeakPolarHBondContact OD1-CG 3.13Å; D116-L118 PolarHBondContact OD1-N 3.35Å; D116-E119 HydrophobicContact CB-CG 4.06Å; D116-E119 PolarHBondContact O-N 3.17Å
117	V	98	Very high	96	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-6.1	179.9	-53	0	0	0	0	113.2	F74 M75 K76 Y115 R124 F136	F74-V117 HydrophobicContact CB-CG1 3.91Å; F74-V117 HydrophobicContact CD1-CG1 4.3Å; M75-V117 WeakPolarHBondContact O-CG2 3.43Å; M75-V117 PolarHBondContact O-N 3.15Å; K76-V117 HydrophobicContact CG-CG2 4.07Å; Y115-V117 PolarHBondContact O-N 3.11Å; V117-R124 HydrophobicContact CB-CB 4.03Å; V117-R124 HydrophobicContact CB-CG 4.06Å; V117-R124 HydrophobicContact CG2-CG 4.28Å; V117-F136 HydrophobicContact CB-CE2 4.34Å; V117-F136 HydrophobicContact CB-CZ 4.32Å; V117-F136 HydrophobicContact CG1-CD1 4Å; V117-F136 HydrophobicContact CG1-CE1 3.68Å; V117-F136 HydrophobicContact CG1-CE2 4.32Å; V117-F136 HydrophobicContact CG1-CG 4.47Å; V117-F136 HydrophobicContact CG1-CZ 3.85Å; V117-F136 HydrophobicContact CG2-CD1 4.37Å; V117-F136 HydrophobicContact CG2-CD2 3.86Å; V117-F136 HydrophobicContact CG2-CE2 4.08Å; V117-F136 HydrophobicContact CG2-CG 4.01Å; V117-F136 HydrophobicContact CG2-CZ 4.45Å
118	L	97.4	Very high	96.3	Very high	69 Å²	69	55.7 Å²	55.7	36%	0.361	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-26.5	173.4	-61.1	175.9	0	0	0	112.1	K76 R83 D116	K76-L118 HydrophobicContact CB-CD1 3.87Å; K76-L118 HydrophobicContact CB-CD2 4.42Å; K76-L118 HydrophobicContact CB-CG 4.04Å; K76-L118 HydrophobicContact CD-CD2 4.44Å; K76-L118 HydrophobicContact CG-CD1 4.42Å; K76-L118 HydrophobicContact CG-CD2 4.06Å; K76-L118 HydrophobicContact CG-CG 4.14Å; R83-L118 HydrophobicContact CB-CD1 3.92Å; R83-L118 HydrophobicContact CG-CD1 4.4Å; D116-L118 PolarHBondContact O-N 3.31Å; D116-L118 VanDerWaalsContact OD1-CB 3.27Å; D116-L118 WeakPolarHBondContact OD1-CB 3.42Å; D116-L118 WeakPolarHBondContact OD1-CG 3.13Å; D116-L118 PolarHBondContact OD1-N 3.35Å
119	E	96.7	Very high	96.5	Very high	131 Å²	131	56.9 Å²	56.9	61%	0.612	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-16.8	-178	-58	-63	157.9	0	0	112.1	R83 D116	R83-E119 IonicContact CZ-OE1 3.48Å; R83-E119 IonicContact NH1-OE1 2.79Å; R83-E119 PolarHBondContact NH1-OE1 3.35Å; R83-E119 IonicContact NH2-OE1 3.26Å; R83-E119 PolarHBondContact NH2-OE1 3.45Å; D116-E119 HydrophobicContact CB-CG 4.06Å; D116-E119 PolarHBondContact O-N 3.17Å
120	N	94.6	Very high	96.7	Very high	72 Å²	72	54.6 Å²	54.6	39%	0.385	27%	0.272	S	S	.	.			trans	-136.7	101.4	179.5	-172.9	-22.8	0	0	0	111.7	E122 L123 R124	N120-E122 WeakPolarHBondContact OD1-CB 3.5Å; N120-E122 PolarHBondContact OD1-N 3.48Å; N120-E122 VanDerWaalsContact OD1-N 3.08Å; N120-L123 HydrophobicContact CB-CB 3.81Å; N120-L123 VanDerWaalsContact CG-CB 3.47Å; N120-L123 PolarHBondContact O-N 3.46Å; N120-L123 PolarHBondContact OD1-N 2.95Å; N120-R124 WeakPolarHBondContact O-CB 3.43Å; N120-R124 PolarHBondContact O-N 3.01Å
121	E	95	Very high	96.9	Very high	111 Å²	111	49.2 Å²	49.2	52%	0.519	25%	0.249	S	C	.	.	H	α-helix	trans	-70.8	-30.1	-179	-168.9	62.1	-150.5	0	0	112.7	R124 A125	E121-R124 WeakPolarHBondContact O-CB 3.41Å; E121-R124 PolarHBondContact O-N 3.26Å; E121-R124 IonicContact OE1-NH1 3.39Å; E121-R124 PolarHBondContact OE1-NH1 2.91Å; E121-R124 VanDerWaalsContact OE2-CD 3.26Å; E121-R124 WeakPolarHBondContact OE2-CD 3.49Å; E121-R124 IonicContact OE2-CZ 3.84Å; E121-R124 IonicContact OE2-NH1 2.86Å; E121-R124 PolarHBondContact OE2-NH1 2.86Å; E121-A125 PolarHBondContact O-N 3.39Å
122	E	95.2	Very high	96.9	Very high	107 Å²	107	55.9 Å²	55.9	50%	0.5	29%	0.285	S	S	.	.	H	α-helix	trans	-66	-45.5	174.3	-176.8	175.5	-160.6	0	0	110.5	S58 N120 R124 A125 A126	S58-E122 VanDerWaalsContact CB-OE1 3.3Å; S58-E122 WeakPolarHBondContact CB-OE1 3.42Å; N120-E122 WeakPolarHBondContact OD1-CB 3.5Å; N120-E122 PolarHBondContact OD1-N 3.48Å; N120-E122 VanDerWaalsContact OD1-N 3.08Å; E122-R124 VanDerWaalsContact C-N 3.3Å; E122-R124 PolarHBondContact O-N 2.93Å; E122-A125 PolarHBondContact O-N 3.18Å; E122-A126 VanDerWaalsContact O-CB 3.27Å; E122-A126 WeakPolarHBondContact O-CB 3.28Å; E122-A126 PolarHBondContact O-N 3.29Å
123	L	95.8	Very high	96.8	Very high	19 Å²	19	58.4 Å²	58.4	10%	0.099	29%	0.294	C	S	.	.	H	α-helix	trans	-60	-42.6	173.7	-176.6	70.7	0	0	0	111.3	V62 L65 F74 Y115 N120 A125 A126 A127	V62-L123 HydrophobicContact CG2-CD1 3.86Å; L65-L123 HydrophobicContact CD1-CD1 3.53Å; F74-L123 HydrophobicContact CD1-CD2 4.1Å; F74-L123 HydrophobicContact CD1-CG 4.31Å; F74-L123 HydrophobicContact CE1-CD1 3.85Å; F74-L123 HydrophobicContact CE1-CD2 4.02Å; F74-L123 HydrophobicContact CE1-CG 4.1Å; Y115-L123 HydrophobicContact CG-CD2 4.5Å; N120-L123 HydrophobicContact CB-CB 3.81Å; N120-L123 VanDerWaalsContact CG-CB 3.47Å; N120-L123 PolarHBondContact O-N 3.46Å; N120-L123 PolarHBondContact OD1-N 2.95Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-A125 PolarHBondContact O-N 3.05Å; L123-A126 PolarHBondContact O-N 3.42Å; L123-A127 VanDerWaalsContact O-CB 3.25Å; L123-A127 WeakPolarHBondContact O-CB 3.47Å; L123-A127 PolarHBondContact O-N 2.76Å
124	R	97.1	Very high	96.7	Very high	70 Å²	70	62.3 Å²	62.3	26%	0.264	32%	0.317	S	S	.	.	H	α-helix	trans	-60.9	-41.5	178.1	-172.2	-172.7	179.8	-167.6	0.2	112.3	V117 N120 E121 E122 K128 F136	V117-R124 HydrophobicContact CB-CB 4.03Å; V117-R124 HydrophobicContact CB-CG 4.06Å; V117-R124 HydrophobicContact CG2-CG 4.28Å; N120-R124 WeakPolarHBondContact O-CB 3.43Å; N120-R124 PolarHBondContact O-N 3.01Å; E121-R124 WeakPolarHBondContact O-CB 3.41Å; E121-R124 PolarHBondContact O-N 3.26Å; E121-R124 IonicContact OE1-NH1 3.39Å; E121-R124 PolarHBondContact OE1-NH1 2.91Å; E121-R124 VanDerWaalsContact OE2-CD 3.26Å; E121-R124 WeakPolarHBondContact OE2-CD 3.49Å; E121-R124 IonicContact OE2-CZ 3.84Å; E121-R124 IonicContact OE2-NH1 2.86Å; E121-R124 PolarHBondContact OE2-NH1 2.86Å; E122-R124 VanDerWaalsContact C-N 3.3Å; E122-R124 PolarHBondContact O-N 2.93Å; R124-K128 WeakPolarHBondContact O-CG 3.27Å; R124-F136 HydrophobicContact CG-CD2 4.48Å; R124-F136 HydrophobicContact CG-CE2 3.65Å; R124-F136 HydrophobicContact CG-CZ 4.31Å
125	A	96.5	Very high	96.7	Very high	30 Å²	30	64 Å²	64	25%	0.248	33%	0.326	C	S	.	.	H	α-helix	trans	-70.7	-47.9	176.4	0	0	0	0	0	111	P54 E121 E122 L123 A127 K128 V129	P54-A125 HydrophobicContact CB-CB 4.22Å; P54-A125 HydrophobicContact CG-CB 4.29Å; E121-A125 PolarHBondContact O-N 3.39Å; E122-A125 PolarHBondContact O-N 3.18Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-A125 PolarHBondContact O-N 3.05Å; A125-A127 PolarHBondContact O-N 2.99Å; A125-K128 PolarHBondContact O-N 3.08Å; A125-V129 PolarHBondContact O-N 3.43Å
126	A	96.8	Very high	96.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-44.1	-178.8	0	0	0	0	0	112.5	P54 S58 V59 V62 E122 L123 K128 V129 F130	P54-A126 HydrophobicContact CB-CB 4.16Å; S58-A126 WeakPolarHBondContact O-CB 3.34Å; V59-A126 HydrophobicContact CG2-CB 4.48Å; V62-A126 HydrophobicContact CG2-CB 3.64Å; E122-A126 VanDerWaalsContact O-CB 3.27Å; E122-A126 WeakPolarHBondContact O-CB 3.28Å; E122-A126 PolarHBondContact O-N 3.29Å; L123-A126 PolarHBondContact O-N 3.42Å; A126-K128 VanDerWaalsContact C-N 3.3Å; A126-K128 PolarHBondContact O-N 3.24Å; A126-V129 PolarHBondContact O-N 3.31Å; A126-V129 VanDerWaalsContact O-N 3.15Å; A126-F130 WeakPolarHBondContact O-CB 3.49Å; A126-F130 PolarHBondContact O-N 3.47Å
127	A	97.1	Very high	96.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.1	-30.8	-179.3	0	0	0	0	0	112.9	V62 F74 L123 A125 A131 F136 Q138	V62-A127 HydrophobicContact CG1-CB 4.32Å; V62-A127 HydrophobicContact CG2-CB 4.28Å; F74-A127 HydrophobicContact CD1-CB 4.43Å; F74-A127 HydrophobicContact CG-CB 4.43Å; L123-A127 VanDerWaalsContact O-CB 3.25Å; L123-A127 WeakPolarHBondContact O-CB 3.47Å; L123-A127 PolarHBondContact O-N 2.76Å; A125-A127 PolarHBondContact O-N 2.99Å; A127-A131 VanDerWaalsContact O-CB 3.28Å; A127-A131 WeakPolarHBondContact O-CB 3.48Å; A127-A131 PolarHBondContact O-N 3.1Å; A127-A131 VanDerWaalsContact O-N 3.11Å; A127-F136 HydrophobicContact CB-CE1 4.08Å; A127-F136 HydrophobicContact CB-CZ 3.96Å; A127-Q138 PolarHBondContact O-NE2 2.9Å; A127-Q138 PolarHBondContact O-OE1 2.88Å
128	K	97.1	Very high	96.7	Very high	70 Å²	70	60.6 Å²	60.6	30%	0.304	31%	0.311	S	S	.	.	H	α-helix	trans	-66	-41.8	172.2	-72.1	171.3	177.5	174.3	0	112.3	R124 A125 A126 D132 W133 F136	R124-K128 WeakPolarHBondContact O-CG 3.27Å; A125-K128 PolarHBondContact O-N 3.08Å; A126-K128 VanDerWaalsContact C-N 3.3Å; A126-K128 PolarHBondContact O-N 3.24Å; K128-D132 PolarHBondContact O-N 2.88Å; K128-W133 WeakPolarHBondContact CA-O 3.25Å; K128-W133 PolarHBondContact O-N 3.25Å; K128-W133 VanDerWaalsContact O-N 3.08Å; K128-F136 HydrophobicContact CD-CE2 4.49Å; K128-F136 HydrophobicContact CG-CE2 4.01Å; K128-F136 HydrophobicContact CG-CZ 4.19Å
129	V	96.4	Very high	96.8	Very high	85 Å²	85	57.4 Å²	57.4	52%	0.515	30%	0.295	S	S	.	.	H	α-helix	trans	-71.2	-43.6	178.9	175.6	0	0	0	0	110.7	P54 V59 A125 A126 A131 D132	P54-V129 HydrophobicContact CG-CB 4.08Å; P54-V129 HydrophobicContact CG-CG2 3.52Å; V59-V129 HydrophobicContact CG2-CB 4.47Å; V59-V129 HydrophobicContact CG2-CG1 4.21Å; A125-V129 PolarHBondContact O-N 3.43Å; A126-V129 PolarHBondContact O-N 3.31Å; A126-V129 VanDerWaalsContact O-N 3.15Å; V129-A131 PolarHBondContact O-N 3.01Å; V129-D132 PolarHBondContact O-N 3.23Å
130	F	96.8	Very high	96.9	Very high	64 Å²	64	51.3 Å²	51.3	28%	0.281	27%	0.266	S	S	.	.	H	α-helix	trans	-60.6	-45.1	179.6	-178.3	-100.2	0	0	0	112.5	V59 V62 V66 A126 D132 Y140	V59-F130 HydrophobicContact CG1-CB 4.19Å; V59-F130 HydrophobicContact CG1-CD2 3.98Å; V62-F130 HydrophobicContact CB-CB 4.21Å; V62-F130 HydrophobicContact CB-CD1 4.5Å; V62-F130 HydrophobicContact CB-CG 4.17Å; V62-F130 HydrophobicContact CG1-CB 3.86Å; V62-F130 HydrophobicContact CG1-CD1 3.58Å; V62-F130 HydrophobicContact CG1-CD2 4.44Å; V62-F130 HydrophobicContact CG1-CE1 4.25Å; V62-F130 HydrophobicContact CG1-CG 3.69Å; V66-F130 HydrophobicContact CG1-CE1 4.29Å; V66-F130 HydrophobicContact CG2-CE1 3.86Å; V66-F130 HydrophobicContact CG2-CZ 3.91Å; A126-F130 WeakPolarHBondContact O-CB 3.49Å; A126-F130 PolarHBondContact O-N 3.47Å; F130-D132 VanDerWaalsContact C-N 3.3Å; F130-D132 PolarHBondContact O-N 3.42Å; F130-Y140 HydrophobicContact CD1-CE1 4.04Å; F130-Y140 AromaticContact CE1-CE1 3.76Å; F130-Y140 HydrophobicContact CE1-CE1 3.76Å
131	A	96.7	Very high	97	Very high	16 Å²	16	48 Å²	48	13%	0.132	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-13.3	-179.8	0	0	0	0	0	114.3	A127 V129 W133 Y140 F145	A127-A131 VanDerWaalsContact O-CB 3.28Å; A127-A131 WeakPolarHBondContact O-CB 3.48Å; A127-A131 PolarHBondContact O-N 3.1Å; A127-A131 VanDerWaalsContact O-N 3.11Å; V129-A131 PolarHBondContact O-N 3.01Å; A131-W133 HydrophobicContact CB-CB 3.6Å; A131-W133 PolarHBondContact O-N 3.41Å; A131-Y140 VanDerWaalsContact CB-OH 3.25Å; A131-Y140 WeakPolarHBondContact CB-OH 3.43Å; A131-F145 HydrophobicContact CB-CD2 4.35Å; A131-F145 HydrophobicContact CB-CE2 4.38Å
132	D	96.9	Very high	97.1	Very high	151 Å²	151	45.7 Å²	45.7	81%	0.807	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.8	43.1	-157.7	-165.8	28.6	0	0	0	112	K128 V129 F130	K128-D132 PolarHBondContact O-N 2.88Å; V129-D132 PolarHBondContact O-N 3.23Å; F130-D132 VanDerWaalsContact C-N 3.3Å; F130-D132 PolarHBondContact O-N 3.42Å
133	W	96.7	Very high	97.2	Very high	85 Å²	85	41.6 Å²	41.6	32%	0.322	23%	0.226	S	C	.	.			trans	-135.1	123.9	-172.3	-164.9	-96.2	0	0	0	112.6	K128 A131 T135 Q138 F145 I151	K128-W133 WeakPolarHBondContact CA-O 3.25Å; K128-W133 PolarHBondContact O-N 3.25Å; K128-W133 VanDerWaalsContact O-N 3.08Å; A131-W133 HydrophobicContact CB-CB 3.6Å; A131-W133 PolarHBondContact O-N 3.41Å; W133-T135 PolarHBondContact NE1-OG1 3.32Å; W133-T135 PolarHBondContact O-N 3.03Å; W133-Q138 PolarHBondContact O-NE2 2.96Å; W133-F145 HydrophobicContact CB-CE1 4.22Å; W133-F145 HydrophobicContact CB-CZ 3.87Å; W133-F145 HydrophobicContact CD2-CE1 4.03Å; W133-F145 AromaticContact CD2-CZ 3.76Å; W133-F145 HydrophobicContact CD2-CZ 3.76Å; W133-F145 AromaticContact CE3-CE1 3.92Å; W133-F145 HydrophobicContact CE3-CE1 3.92Å; W133-F145 HydrophobicContact CE3-CZ 4.14Å; W133-F145 HydrophobicContact CG-CE1 4.17Å; W133-F145 AromaticContact CG-CZ 3.62Å; W133-F145 HydrophobicContact CG-CZ 3.62Å; W133-I151 HydrophobicContact CH2-CD1 3.85Å; W133-I151 HydrophobicContact CZ2-CD1 4.26Å
134	P	95.9	Very high	97.3	Very high	98 Å²	98	46.7 Å²	46.7	64%	0.636	25%	0.249	S	C	*	.			trans	-82.9	-12.6	-165.8	30	-34.4	0	0	0	115.3
135	T	97.1	Very high	97.3	Very high	76 Å²	76	46.5 Å²	46.5	47%	0.466	25%	0.25	S	S	.	.	S	Bend	trans	-121.6	165.1	-169.6	63	0	0	0	0	113.5	W133 Q138	W133-T135 PolarHBondContact NE1-OG1 3.32Å; W133-T135 PolarHBondContact O-N 3.03Å; T135-Q138 WeakPolarHBondContact O-CG 3.39Å; T135-Q138 PolarHBondContact O-NE2 3.46Å
136	F	98.2	Very high	97.4	Very high	15 Å²	15	46.4 Å²	46.4	7%	0.066	25%	0.246	C	C	.	.	S	Bend	trans	-124.8	149.4	171.3	-69.8	-75.4	0	0	0	108.9	F74 V117 R124 A127 K128 Q138	F74-F136 HydrophobicContact CB-CD1 3.81Å; F74-F136 HydrophobicContact CB-CE1 3.61Å; F74-F136 HydrophobicContact CG-CE1 4.44Å; V117-F136 HydrophobicContact CB-CE2 4.34Å; V117-F136 HydrophobicContact CB-CZ 4.32Å; V117-F136 HydrophobicContact CG1-CD1 4Å; V117-F136 HydrophobicContact CG1-CE1 3.68Å; V117-F136 HydrophobicContact CG1-CE2 4.32Å; V117-F136 HydrophobicContact CG1-CG 4.47Å; V117-F136 HydrophobicContact CG1-CZ 3.85Å; V117-F136 HydrophobicContact CG2-CD1 4.37Å; V117-F136 HydrophobicContact CG2-CD2 3.86Å; V117-F136 HydrophobicContact CG2-CE2 4.08Å; V117-F136 HydrophobicContact CG2-CG 4.01Å; V117-F136 HydrophobicContact CG2-CZ 4.45Å; R124-F136 HydrophobicContact CG-CD2 4.48Å; R124-F136 HydrophobicContact CG-CE2 3.65Å; R124-F136 HydrophobicContact CG-CZ 4.31Å; A127-F136 HydrophobicContact CB-CE1 4.08Å; A127-F136 HydrophobicContact CB-CZ 3.96Å; K128-F136 HydrophobicContact CD-CE2 4.49Å; K128-F136 HydrophobicContact CG-CE2 4.01Å; K128-F136 HydrophobicContact CG-CZ 4.19Å; F136-Q138 HydrophobicContact CD1-CB 4.33Å; F136-Q138 HydrophobicContact CD1-CG 3.81Å; F136-Q138 HydrophobicContact CE1-CG 3.95Å
137	P	98.6	Very high	97.4	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.019	25%	0.247	C	C	.	.			cis	-72.9	158.1	7.4	30.4	-36.6	0	0	0	114.6	L73 F74 M75 V90 G148 C149	L73-P137 HydrophobicContact CD1-CB 3.92Å; F74-P137 CarbonylContact O-C 3.09Å; F74-P137 VanDerWaalsContact O-CA 3.24Å; F74-P137 WeakPolarHBondContact O-CA 3.13Å; M75-P137 HydrophobicContact CB-CB 4.44Å; V90-P137 HydrophobicContact CB-CB 4.44Å; V90-P137 HydrophobicContact CB-CG 4.07Å; V90-P137 HydrophobicContact CG2-CB 4.11Å; V90-P137 HydrophobicContact CG2-CG 3.37Å; P137-G148 VanDerWaalsContact O-CA 3.26Å; P137-G148 WeakPolarHBondContact O-CA 3.46Å; P137-C149 HydrophobicContact CG-CB 4Å
138	Q	98.6	Very high	97.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128.2	171.3	-64.7	178.5	-2.7	0	0	109.2	F74 A127 W133 T135 F136 Y140 F145	F74-Q138 HydrophobicContact CB-CB 4.35Å; F74-Q138 PolarHBondContact N-O 3.21Å; F74-Q138 PolarHBondContact O-N 3.14Å; A127-Q138 PolarHBondContact O-NE2 2.9Å; A127-Q138 PolarHBondContact O-OE1 2.88Å; W133-Q138 PolarHBondContact O-NE2 2.96Å; T135-Q138 WeakPolarHBondContact O-CG 3.39Å; T135-Q138 PolarHBondContact O-NE2 3.46Å; F136-Q138 HydrophobicContact CD1-CB 4.33Å; F136-Q138 HydrophobicContact CD1-CG 3.81Å; F136-Q138 HydrophobicContact CE1-CG 3.95Å; Q138-Y140 HydrophobicContact CB-CE2 3.9Å; Q138-Y140 PolarHBondContact OE1-OH 3.22Å; Q138-F145 HydrophobicContact CB-CE2 3.97Å; Q138-F145 HydrophobicContact CG-CE2 4.13Å
139	L	98.6	Very high	97.5	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.8	179.9	-170.8	71.3	0	0	0	110.8	I71 L73 L94 F141 I146 G147 L152	I71-L139 HydrophobicContact CG2-CD1 3.75Å; L73-L139 HydrophobicContact CB-CD1 4.17Å; L73-L139 HydrophobicContact CD1-CD1 4.25Å; L94-L139 HydrophobicContact CD1-CD1 4.26Å; L94-L139 HydrophobicContact CD2-CD2 4.41Å; L139-F141 HydrophobicContact CD1-CE1 4.37Å; L139-F141 HydrophobicContact CD2-CE1 3.66Å; L139-F141 HydrophobicContact CD2-CZ 3.69Å; L139-F141 HydrophobicContact CG-CE1 3.96Å; L139-F141 HydrophobicContact CG-CZ 4.43Å; L139-I146 WeakPolarHBondContact O-CB 3.38Å; L139-I146 PolarHBondContact O-N 3.01Å; L139-G147 PolarHBondContact N-O 2.9Å; L139-L152 HydrophobicContact CD2-CD1 3.52Å; L139-L152 HydrophobicContact CD2-CD2 3.87Å; L139-L152 HydrophobicContact CD2-CG 4.34Å
140	Y	98.6	Very high	97.6	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.8	177	-62.7	-105.8	0	0	0	110.3	V66 I71 V72 F74 F130 A131 Q138 E144 F145	V66-Y140 HydrophobicContact CB-CD1 4.12Å; V66-Y140 HydrophobicContact CB-CG 4.27Å; V66-Y140 HydrophobicContact CG1-CD1 3.72Å; V66-Y140 HydrophobicContact CG1-CD2 3.99Å; V66-Y140 HydrophobicContact CG1-CE1 3.91Å; V66-Y140 HydrophobicContact CG1-CE2 4.2Å; V66-Y140 HydrophobicContact CG1-CG 3.75Å; I71-Y140 WeakPolarHBondContact CA-O 3.48Å; V72-Y140 PolarHBondContact N-O 3.12Å; V72-Y140 PolarHBondContact O-N 3.31Å; F74-Y140 HydrophobicContact CD2-CD2 4Å; F74-Y140 AromaticContact CD2-CE2 3.57Å; F74-Y140 HydrophobicContact CD2-CE2 3.57Å; F74-Y140 HydrophobicContact CE2-CD2 4.01Å; F74-Y140 AromaticContact CE2-CE2 3.67Å; F74-Y140 HydrophobicContact CE2-CE2 3.67Å; F130-Y140 HydrophobicContact CD1-CE1 4.04Å; F130-Y140 AromaticContact CE1-CE1 3.76Å; F130-Y140 HydrophobicContact CE1-CE1 3.76Å; A131-Y140 VanDerWaalsContact CB-OH 3.25Å; A131-Y140 WeakPolarHBondContact CB-OH 3.43Å; Q138-Y140 HydrophobicContact CB-CE2 3.9Å; Q138-Y140 PolarHBondContact OE1-OH 3.22Å; Y140-E144 CarbonylContact C-O 3.44Å; Y140-E144 WeakPolarHBondContact CA-O 3.23Å; Y140-E144 WeakPolarHBondContact CB-O 3.27Å; Y140-F145 HydrophobicContact CD1-CB 3.98Å; Y140-F145 HydrophobicContact CD1-CD2 4.42Å; Y140-F145 HydrophobicContact CE1-CB 3.68Å; Y140-F145 AromaticContact CE1-CD2 3.94Å; Y140-F145 HydrophobicContact CE1-CD2 3.94Å; Y140-F145 HydrophobicContact CE1-CG 4.26Å; Y140-F145 HydrophobicContact CE2-CD2 4.03Å; Y140-F145 AromaticContact CZ-CD2 3.74Å
141	F	98	Very high	97.7	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.013	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.4	167.9	-60.5	-29.7	0	0	0	109.8	R70 I71 L139 G143 E144 I146 L161 E164 L165 L168	R70-F141 CarbonylContact O-C 3.52Å; R70-F141 VanDerWaalsContact O-CA 3.27Å; R70-F141 WeakPolarHBondContact O-CA 3.49Å; I71-F141 HydrophobicContact CB-CD1 4.27Å; I71-F141 HydrophobicContact CB-CE1 4.42Å; I71-F141 HydrophobicContact CD1-CD1 4.4Å; I71-F141 HydrophobicContact CD1-CE1 4.08Å; I71-F141 HydrophobicContact CG1-CD1 3.75Å; I71-F141 HydrophobicContact CG1-CE1 3.89Å; I71-F141 HydrophobicContact CG2-CD1 4.06Å; I71-F141 HydrophobicContact CG2-CE1 3.87Å; L139-F141 HydrophobicContact CD1-CE1 4.37Å; L139-F141 HydrophobicContact CD2-CE1 3.66Å; L139-F141 HydrophobicContact CD2-CZ 3.69Å; L139-F141 HydrophobicContact CG-CE1 3.96Å; L139-F141 HydrophobicContact CG-CZ 4.43Å; F141-G143 PolarHBondContact O-N 3.39Å; F141-E144 PolarHBondContact N-O 3.29Å; F141-E144 WeakPolarHBondContact O-CB 3.48Å; F141-E144 PolarHBondContact O-N 3.49Å; F141-I146 HydrophobicContact CB-CD1 3.96Å; F141-I146 HydrophobicContact CB-CG1 4.06Å; F141-I146 HydrophobicContact CD1-CG1 4.29Å; F141-I146 HydrophobicContact CD2-CD1 3.47Å; F141-I146 VanDerWaalsContact CD2-CD1 3.47Å; F141-I146 HydrophobicContact CD2-CG1 3.48Å; F141-I146 VanDerWaalsContact CD2-CG1 3.48Å; F141-I146 HydrophobicContact CE2-CD1 4.22Å; F141-I146 HydrophobicContact CE2-CG1 3.94Å; F141-I146 HydrophobicContact CE2-CG2 4.35Å; F141-I146 HydrophobicContact CG-CD1 3.89Å; F141-I146 HydrophobicContact CG-CG1 3.66Å; F141-L161 HydrophobicContact CE2-CD1 3.94Å; F141-L161 HydrophobicContact CZ-CD1 3.85Å; F141-E164 HydrophobicContact CD2-CG 3.99Å; F141-E164 HydrophobicContact CE2-CG 4.07Å; F141-L165 HydrophobicContact CE1-CD2 4.4Å; F141-L165 HydrophobicContact CE2-CD2 4.39Å; F141-L165 HydrophobicContact CZ-CD2 4.03Å; F141-L168 HydrophobicContact CB-CD1 3.54Å; F141-L168 HydrophobicContact CD2-CD1 3.69Å; F141-L168 HydrophobicContact CG-CD1 3.81Å
142	D	96.7	Very high	97.8	Very high	63 Å²	63	44.7 Å²	44.7	34%	0.337	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	35.9	-180	-69.7	-16.1	0	0	0	114	R70 E144	R70-D142 WeakPolarHBondContact CD-OD1 3.26Å; R70-D142 IonicContact CZ-OD1 3.01Å; R70-D142 IonicContact CZ-OD2 2.8Å; R70-D142 IonicContact NE-OD1 2.66Å; R70-D142 PolarHBondContact NE-OD1 3.37Å; R70-D142 IonicContact NH1-OD1 2.77Å; R70-D142 PolarHBondContact NH1-OD1 3.42Å; R70-D142 IonicContact NH1-OD2 3.25Å; R70-D142 PolarHBondContact NH1-OD2 2.93Å; R70-D142 IonicContact NH2-OD1 2.81Å; R70-D142 PolarHBondContact NH2-OD1 3.17Å; R70-D142 IonicContact NH2-OD2 3.48Å; R70-D142 PolarHBondContact NH2-OD2 2.88Å; R70-D142 PolarHBondContact O-N 3.01Å; D142-E144 VanDerWaalsContact C-N 3.31Å; D142-E144 PolarHBondContact O-N 3.44Å
143	G	96.9	Very high	97.8	Very high	20 Å²	20	39.8 Å²	39.8	21%	0.206	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	-6	-177.3	0	0	0	0	0	115.7	V66 F141	V66-G143 WeakPolarHBondContact O-CA 3.24Å; V66-G143 PolarHBondContact O-N 3.34Å; F141-G143 PolarHBondContact O-N 3.39Å
144	E	97.4	Very high	97.9	Very high	126 Å²	126	40.3 Å²	40.3	59%	0.589	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	135.3	177.5	-61.8	-169.9	157.2	0	0	111.6	Y140 F141 D142 I146	Y140-E144 CarbonylContact C-O 3.44Å; Y140-E144 WeakPolarHBondContact CA-O 3.23Å; Y140-E144 WeakPolarHBondContact CB-O 3.27Å; F141-E144 PolarHBondContact N-O 3.29Å; F141-E144 WeakPolarHBondContact O-CB 3.48Å; F141-E144 PolarHBondContact O-N 3.49Å; D142-E144 VanDerWaalsContact C-N 3.31Å; D142-E144 PolarHBondContact O-N 3.44Å; E144-I146 PolarHBondContact O-N 3.08Å
145	F	98.1	Very high	98	Very high	66 Å²	66	37.1 Å²	37.1	29%	0.289	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	122.3	177.6	177.6	-117.7	0	0	0	111	A131 W133 Q138 Y140 G147	A131-F145 HydrophobicContact CB-CD2 4.35Å; A131-F145 HydrophobicContact CB-CE2 4.38Å; W133-F145 HydrophobicContact CB-CE1 4.22Å; W133-F145 HydrophobicContact CB-CZ 3.87Å; W133-F145 HydrophobicContact CD2-CE1 4.03Å; W133-F145 AromaticContact CD2-CZ 3.76Å; W133-F145 HydrophobicContact CD2-CZ 3.76Å; W133-F145 AromaticContact CE3-CE1 3.92Å; W133-F145 HydrophobicContact CE3-CE1 3.92Å; W133-F145 HydrophobicContact CE3-CZ 4.14Å; W133-F145 HydrophobicContact CG-CE1 4.17Å; W133-F145 AromaticContact CG-CZ 3.62Å; W133-F145 HydrophobicContact CG-CZ 3.62Å; Q138-F145 HydrophobicContact CB-CE2 3.97Å; Q138-F145 HydrophobicContact CG-CE2 4.13Å; Y140-F145 HydrophobicContact CD1-CB 3.98Å; Y140-F145 HydrophobicContact CD1-CD2 4.42Å; Y140-F145 HydrophobicContact CE1-CB 3.68Å; Y140-F145 AromaticContact CE1-CD2 3.94Å; Y140-F145 HydrophobicContact CE1-CD2 3.94Å; Y140-F145 HydrophobicContact CE1-CG 4.26Å; Y140-F145 HydrophobicContact CE2-CD2 4.03Å; Y140-F145 AromaticContact CZ-CD2 3.74Å; F145-G147 VanDerWaalsContact CZ-CA 3.47Å
146	I	97.9	Very high	98	Very high	29 Å²	29	35.7 Å²	35.7	15%	0.149	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-44.3	-179	-55.3	-57.6	0	0	0	111.2	L139 F141 E144 M155	L139-I146 WeakPolarHBondContact O-CB 3.38Å; L139-I146 PolarHBondContact O-N 3.01Å; F141-I146 HydrophobicContact CB-CD1 3.96Å; F141-I146 HydrophobicContact CB-CG1 4.06Å; F141-I146 HydrophobicContact CD1-CG1 4.29Å; F141-I146 HydrophobicContact CD2-CD1 3.47Å; F141-I146 VanDerWaalsContact CD2-CD1 3.47Å; F141-I146 HydrophobicContact CD2-CG1 3.48Å; F141-I146 VanDerWaalsContact CD2-CG1 3.48Å; F141-I146 HydrophobicContact CE2-CD1 4.22Å; F141-I146 HydrophobicContact CE2-CG1 3.94Å; F141-I146 HydrophobicContact CE2-CG2 4.35Å; F141-I146 HydrophobicContact CG-CD1 3.89Å; F141-I146 HydrophobicContact CG-CG1 3.66Å; E144-I146 PolarHBondContact O-N 3.08Å; I146-M155 HydrophobicContact CG2-CE 4.03Å; I146-M155 HydrophobicContact CG2-SD 3.75Å
147	G	98	Very high	98	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.8	-175.1	-179.5	0	0	0	0	0	114.6	L139 F145	L139-G147 PolarHBondContact N-O 2.9Å; F145-G147 VanDerWaalsContact CZ-CA 3.47Å
148	G	98.1	Very high	97.9	Very high	4 Å²	4	47.1 Å²	47.1	4%	0.041	24%	0.237	C	C	.	.			trans	-92.5	-164.5	171.5	0	0	0	0	0	113.7	P137 D150 L152	P137-G148 VanDerWaalsContact O-CA 3.26Å; P137-G148 WeakPolarHBondContact O-CA 3.46Å; G148-D150 PolarHBondContact O-N 2.91Å; G148-L152 WeakPolarHBondContact O-CB 3.38Å; G148-L152 PolarHBondContact O-N 3.28Å; G148-L152 VanDerWaalsContact O-N 3.1Å
149	C	98.2	Very high	97.8	Very high	8 Å²	8	48.3 Å²	48.3	5%	0.054	25%	0.25	C	C	.	.	H	α-helix	trans	-57.4	-47	-177.6	-176	0	0	0	0	113.6	F86 V90 P137 L152 L153	F86-C149 HydrophobicContact CB-CB 4.11Å; F86-C149 HydrophobicContact CD1-CB 4.19Å; V90-C149 HydrophobicContact CG2-CB 4.1Å; P137-C149 HydrophobicContact CG-CB 4Å; C149-L152 PolarHBondContact O-N 2.85Å; C149-L153 WeakPolarHBondContact O-CB 3.35Å; C149-L153 WeakPolarHBondContact O-CG 3.43Å; C149-L153 PolarHBondContact O-N 3.27Å
150	D	98.1	Very high	97.7	Very high	118 Å²	118	53.6 Å²	53.6	63%	0.631	27%	0.272	S	S	*	.	H	α-helix	trans	-68.5	-40.8	-173.8	-60.1	-45.3	0	0	0	112.3	G148 L152 L153 D154	G148-D150 PolarHBondContact O-N 2.91Å; D150-L152 VanDerWaalsContact C-N 3.34Å; D150-L153 PolarHBondContact O-N 2.96Å; D150-D154 PolarHBondContact O-N 3Å
151	I	98.2	Very high	97.7	Very high	63 Å²	63	53.5 Å²	53.5	32%	0.323	27%	0.272	S	S	.	.	H	α-helix	trans	-62.2	-45.5	175.3	-64.4	170.1	0	0	0	109.6	W133 L153 D154 M155	W133-I151 HydrophobicContact CH2-CD1 3.85Å; W133-I151 HydrophobicContact CZ2-CD1 4.26Å; I151-L153 VanDerWaalsContact C-N 3.34Å; I151-L153 PolarHBondContact O-N 3.45Å; I151-D154 PolarHBondContact O-N 3.35Å; I151-M155 HydrophobicContact CG2-CG 4.36Å; I151-M155 HydrophobicContact CG2-SD 3.95Å; I151-M155 WeakPolarHBondContact O-CG 3.46Å; I151-M155 PolarHBondContact O-N 3.42Å
152	L	98.2	Very high	97.6	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-38.2	179.9	-164.6	67.7	0	0	0	112.3	V90 I93 L139 G148 C149 D150 M155 H156 L161	V90-L152 HydrophobicContact CB-CD2 4.11Å; V90-L152 HydrophobicContact CG1-CD2 3.64Å; V90-L152 HydrophobicContact CG2-CD2 3.85Å; I93-L152 HydrophobicContact CB-CD2 4.33Å; I93-L152 HydrophobicContact CD1-CB 4.42Å; I93-L152 HydrophobicContact CD1-CD2 4.11Å; I93-L152 HydrophobicContact CD1-CG 4.1Å; I93-L152 HydrophobicContact CG2-CD2 4.19Å; I93-L152 HydrophobicContact CG2-CG 4.2Å; L139-L152 HydrophobicContact CD2-CD1 3.52Å; L139-L152 HydrophobicContact CD2-CD2 3.87Å; L139-L152 HydrophobicContact CD2-CG 4.34Å; G148-L152 WeakPolarHBondContact O-CB 3.38Å; G148-L152 PolarHBondContact O-N 3.28Å; G148-L152 VanDerWaalsContact O-N 3.1Å; C149-L152 PolarHBondContact O-N 2.85Å; D150-L152 VanDerWaalsContact C-N 3.34Å; L152-M155 PolarHBondContact O-N 2.9Å; L152-H156 VanDerWaalsContact O-CB 3.27Å; L152-H156 WeakPolarHBondContact O-CB 3.37Å; L152-H156 PolarHBondContact O-N 3.39Å; L152-L161 HydrophobicContact CD1-CD1 3.77Å; L152-L161 HydrophobicContact CD1-CD2 3.66Å; L152-L161 HydrophobicContact CD1-CG 4.36Å; L152-L161 HydrophobicContact CG-CD2 4.15Å
153	L	98.2	Very high	97.6	Very high	48 Å²	48	58 Å²	58	25%	0.251	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-42.5	173.7	-80.5	166	0	0	0	111.8	I93 C149 D150 I151 H156 R157	I93-L153 HydrophobicContact CD1-CD2 3.66Å; I93-L153 HydrophobicContact CD1-CG 3.86Å; I93-L153 HydrophobicContact CG1-CD2 4.42Å; C149-L153 WeakPolarHBondContact O-CB 3.35Å; C149-L153 WeakPolarHBondContact O-CG 3.43Å; C149-L153 PolarHBondContact O-N 3.27Å; D150-L153 PolarHBondContact O-N 2.96Å; I151-L153 VanDerWaalsContact C-N 3.34Å; I151-L153 PolarHBondContact O-N 3.45Å; L153-H156 PolarHBondContact O-N 3.42Å; L153-R157 WeakPolarHBondContact O-CB 3.38Å; L153-R157 VanDerWaalsContact O-CG 3.28Å; L153-R157 WeakPolarHBondContact O-CG 3.47Å; L153-R157 PolarHBondContact O-N 3.42Å
154	D	98.4	Very high	97.7	Very high	97 Å²	97	59.1 Å²	59.1	52%	0.519	29%	0.293	S	S	.	.	H	α-helix	trans	-65.8	-45.7	176.3	-174.3	60.5	0	0	0	111.9	D150 I151 H156 R157 S158	D150-D154 PolarHBondContact O-N 3Å; I151-D154 PolarHBondContact O-N 3.35Å; D154-H156 VanDerWaalsContact C-N 3.31Å; D154-H156 PolarHBondContact O-N 2.94Å; D154-R157 PolarHBondContact O-N 2.84Å; D154-S158 WeakPolarHBondContact O-CB 3.26Å; D154-S158 PolarHBondContact O-N 3.27Å; D154-S158 PolarHBondContact O-OG 3.07Å
155	M	98	Very high	97.6	Very high	30 Å²	30	53.1 Å²	53.1	15%	0.148	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-37.8	176.2	-68.5	176.7	68.4	0	0	112.2	I146 I151 L152 S158 G159 K160 L161 E164	I146-M155 HydrophobicContact CG2-CE 4.03Å; I146-M155 HydrophobicContact CG2-SD 3.75Å; I151-M155 HydrophobicContact CG2-CG 4.36Å; I151-M155 HydrophobicContact CG2-SD 3.95Å; I151-M155 WeakPolarHBondContact O-CG 3.46Å; I151-M155 PolarHBondContact O-N 3.42Å; L152-M155 PolarHBondContact O-N 2.9Å; M155-S158 WeakPolarHBondContact CA-OG 3.26Å; M155-S158 PolarHBondContact O-OG 3.32Å; M155-G159 CarbonylContact O-C 3.51Å; M155-G159 PolarHBondContact O-N 3.05Å; M155-K160 HydrophobicContact CB-CB 4.38Å; M155-K160 PolarHBondContact O-N 3.41Å; M155-K160 VanDerWaalsContact O-N 3.11Å; M155-L161 HydrophobicContact CB-CB 3.87Å; M155-L161 HydrophobicContact CE-CD1 4.36Å; M155-L161 PolarHBondContact O-N 3.36Å; M155-E164 HydrophobicContact CE-CB 4.49Å
156	H	97.5	Very high	97.6	Very high	46 Å²	46	54.4 Å²	54.4	21%	0.213	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-49.3	175	172.8	67.1	0	0	0	111.4	I93 M96 H97 L152 L153 D154 S158 G159 L161	I93-H156 HydrophobicContact CG2-CB 3.98Å; M96-H156 VanDerWaalsContact CE-NE2 3.34Å; M96-H156 WeakPolarHBondContact CE-NE2 3.16Å; H97-H156 AromaticContact CD2-ND1 3.68Å; H97-H156 AromaticContact NE2-CE1 3.82Å; H97-H156 AromaticContact NE2-ND1 2.97Å; H97-H156 PolarHBondContact NE2-ND1 2.95Å; L152-H156 VanDerWaalsContact O-CB 3.27Å; L152-H156 WeakPolarHBondContact O-CB 3.37Å; L152-H156 PolarHBondContact O-N 3.39Å; L153-H156 PolarHBondContact O-N 3.42Å; D154-H156 VanDerWaalsContact C-N 3.31Å; D154-H156 PolarHBondContact O-N 2.94Å; H156-S158 PolarHBondContact O-N 3.17Å; H156-G159 PolarHBondContact O-N 2.73Å; H156-L161 HydrophobicContact CB-CD2 4.15Å
157	R	96.9	Very high	97.5	Very high	200 Å²	200	60.3 Å²	60.3	76%	0.755	29%	0.292	S	S	*	.	H	α-helix	trans	-65.4	-37.7	-179.6	-72.8	173.3	-177.3	-179.2	2.6	113.1	L153 D154 G159	L153-R157 WeakPolarHBondContact O-CB 3.38Å; L153-R157 VanDerWaalsContact O-CG 3.28Å; L153-R157 WeakPolarHBondContact O-CG 3.47Å; L153-R157 PolarHBondContact O-N 3.42Å; D154-R157 PolarHBondContact O-N 2.84Å; R157-G159 VanDerWaalsContact C-N 3.3Å
158	S	96.8	Very high	97.4	Very high	58 Å²	58	61.1 Å²	61.1	41%	0.406	30%	0.296	S	S	.	.	H	α-helix	trans	-80.2	-8.9	-179.8	58.7	0	0	0	0	113.8	D154 M155 H156 K160	D154-S158 WeakPolarHBondContact O-CB 3.26Å; D154-S158 PolarHBondContact O-N 3.27Å; D154-S158 PolarHBondContact O-OG 3.07Å; M155-S158 WeakPolarHBondContact CA-OG 3.26Å; M155-S158 PolarHBondContact O-OG 3.32Å; H156-S158 PolarHBondContact O-N 3.17Å; S158-K160 PolarHBondContact O-N 3.2Å; S158-K160 WeakPolarHBondContact OG-CG 3.46Å
159	G	96.5	Very high	97.2	Very high	25 Å²	25	64.2 Å²	64.2	26%	0.258	33%	0.328	S	S	.	.	S	Bend	trans	82.4	-12.1	-175.7	0	0	0	0	0	114.6	M155 H156 R157 L161 T162 E163	M155-G159 CarbonylContact O-C 3.51Å; M155-G159 PolarHBondContact O-N 3.05Å; H156-G159 PolarHBondContact O-N 2.73Å; R157-G159 VanDerWaalsContact C-N 3.3Å; G159-L161 PolarHBondContact O-N 3.32Å; G159-L161 VanDerWaalsContact O-N 3.16Å; G159-T162 WeakPolarHBondContact O-CB 3.46Å; G159-T162 PolarHBondContact O-N 2.98Å; G159-E163 PolarHBondContact O-N 2.93Å
160	K	97.4	Very high	97.1	Very high	114 Å²	114	64.8 Å²	64.8	50%	0.496	33%	0.33	S	S	.	.	H	α-helix	trans	-56.5	-32.8	178.8	-67.5	-179.7	-178.3	173.9	0	113.3	M155 S158 T162 E163 E164	M155-K160 HydrophobicContact CB-CB 4.38Å; M155-K160 PolarHBondContact O-N 3.41Å; M155-K160 VanDerWaalsContact O-N 3.11Å; S158-K160 PolarHBondContact O-N 3.2Å; S158-K160 WeakPolarHBondContact OG-CG 3.46Å; K160-T162 VanDerWaalsContact C-N 3.32Å; K160-T162 PolarHBondContact O-N 3.08Å; K160-E163 PolarHBondContact O-N 3.4Å; K160-E164 WeakPolarHBondContact O-CB 3.27Å; K160-E164 PolarHBondContact O-N 2.86Å
161	L	97.8	Very high	96.9	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-64.8	-38.2	176.6	-176.3	56.5	0	0	0	111.8	I93 H97 F141 L152 M155 H156 G159 L165	I93-L161 HydrophobicContact CG2-CD2 3.49Å; I93-L161 VanDerWaalsContact CG2-CD2 3.49Å; H97-L161 WeakPolarHBondContact NE2-CD2 3.49Å; F141-L161 HydrophobicContact CE2-CD1 3.94Å; F141-L161 HydrophobicContact CZ-CD1 3.85Å; L152-L161 HydrophobicContact CD1-CD1 3.77Å; L152-L161 HydrophobicContact CD1-CD2 3.66Å; L152-L161 HydrophobicContact CD1-CG 4.36Å; L152-L161 HydrophobicContact CG-CD2 4.15Å; M155-L161 HydrophobicContact CB-CB 3.87Å; M155-L161 HydrophobicContact CE-CD1 4.36Å; M155-L161 PolarHBondContact O-N 3.36Å; H156-L161 HydrophobicContact CB-CD2 4.15Å; G159-L161 PolarHBondContact O-N 3.32Å; G159-L161 VanDerWaalsContact O-N 3.16Å; L161-L165 HydrophobicContact CD1-CD1 4.41Å; L161-L165 HydrophobicContact CD1-CG 4.42Å; L161-L165 HydrophobicContact CG-CD1 4.24Å; L161-L165 VanDerWaalsContact O-CG 3.26Å; L161-L165 WeakPolarHBondContact O-CG 3.34Å; L161-L165 PolarHBondContact O-N 2.91Å
162	T	97.2	Very high	96.8	Very high	27 Å²	27	57 Å²	57	17%	0.166	29%	0.292	C	S	.	.	H	α-helix	trans	-64.6	-48.5	174.7	-67.1	0	0	0	0	110.3	H97 G159 K160 E164 L165 E166 S172 A175	H97-T162 PolarHBondContact CE1-OG1 3.33Å; H97-T162 VanDerWaalsContact CE1-OG1 3.23Å; G159-T162 WeakPolarHBondContact O-CB 3.46Å; G159-T162 PolarHBondContact O-N 2.98Å; K160-T162 VanDerWaalsContact C-N 3.32Å; K160-T162 PolarHBondContact O-N 3.08Å; T162-E164 VanDerWaalsContact C-N 3.28Å; T162-E164 PolarHBondContact O-N 3.37Å; T162-L165 PolarHBondContact O-N 3.31Å; T162-E166 WeakPolarHBondContact O-CG 3.39Å; T162-E166 PolarHBondContact O-N 3.39Å; T162-S172 PolarHBondContact OG1-OG 2.94Å; T162-A175 HydrophobicContact CG2-CB 3.85Å
163	E	96.8	Very high	96.6	Very high	134 Å²	134	59 Å²	59	63%	0.626	31%	0.31	S	S	*	.	H	α-helix	trans	-56.6	-43.4	178.1	-64.2	173.2	177.1	0	0	111.7	G159 K160 E166 R167	G159-E163 PolarHBondContact O-N 2.93Å; K160-E163 PolarHBondContact O-N 3.4Å; E163-E166 PolarHBondContact O-N 3.25Å; E163-R167 WeakPolarHBondContact O-CB 3.48Å; E163-R167 PolarHBondContact O-N 2.96Å
164	E	97.1	Very high	96.4	Very high	42 Å²	42	59.6 Å²	59.6	20%	0.196	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-42.8	179.5	-173.4	64.3	-179.7	0	0	112.5	F141 M155 K160 T162 E166 R167 L168	F141-E164 HydrophobicContact CD2-CG 3.99Å; F141-E164 HydrophobicContact CE2-CG 4.07Å; M155-E164 HydrophobicContact CE-CB 4.49Å; K160-E164 WeakPolarHBondContact O-CB 3.27Å; K160-E164 PolarHBondContact O-N 2.86Å; T162-E164 VanDerWaalsContact C-N 3.28Å; T162-E164 PolarHBondContact O-N 3.37Å; E164-E166 VanDerWaalsContact C-N 3.33Å; E164-E166 PolarHBondContact O-N 3.32Å; E164-R167 WeakPolarHBondContact O-CB 3.48Å; E164-R167 PolarHBondContact O-N 2.87Å; E164-R167 IonicContact OE1-CZ 3.46Å; E164-R167 IonicContact OE1-NE 3.57Å; E164-R167 PolarHBondContact OE1-NE 3.27Å; E164-R167 IonicContact OE1-NH2 3.61Å; E164-R167 PolarHBondContact OE1-NH2 3.16Å; E164-R167 IonicContact OE2-CZ 2.92Å; E164-R167 IonicContact OE2-NE 3.48Å; E164-R167 PolarHBondContact OE2-NE 2.89Å; E164-R167 IonicContact OE2-NH2 2.78Å; E164-L168 HydrophobicContact CG-CD1 4.37Å; E164-L168 VanDerWaalsContact O-CG 3.32Å; E164-L168 WeakPolarHBondContact O-CG 3.48Å; E164-L168 PolarHBondContact O-N 2.88Å
165	L	97.3	Very high	96	Very high	1 Å²	1	56 Å²	56	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-35.8	176.4	-71.9	169.2	0	0	0	112.7	I71 H97 I99 F141 L161 T162 G169 I170 G171	I71-L165 HydrophobicContact CD1-CD2 4.23Å; H97-L165 HydrophobicContact CB-CD1 3.96Å; H97-L165 WeakPolarHBondContact ND1-CD1 3.34Å; I99-L165 HydrophobicContact CD1-CD1 4.31Å; I99-L165 HydrophobicContact CD1-CD2 4.11Å; F141-L165 HydrophobicContact CE1-CD2 4.4Å; F141-L165 HydrophobicContact CE2-CD2 4.39Å; F141-L165 HydrophobicContact CZ-CD2 4.03Å; L161-L165 HydrophobicContact CD1-CD1 4.41Å; L161-L165 HydrophobicContact CD1-CG 4.42Å; L161-L165 HydrophobicContact CG-CD1 4.24Å; L161-L165 VanDerWaalsContact O-CG 3.26Å; L161-L165 WeakPolarHBondContact O-CG 3.34Å; L161-L165 PolarHBondContact O-N 2.91Å; T162-L165 PolarHBondContact O-N 3.31Å; L165-G169 PolarHBondContact O-N 3.18Å; L165-I170 HydrophobicContact CD2-CB 4.3Å; L165-I170 HydrophobicContact CD2-CD1 4.31Å; L165-I170 HydrophobicContact CD2-CG2 4.13Å; L165-I170 PolarHBondContact O-N 3.38Å; L165-G171 PolarHBondContact O-N 3.28Å
166	E	96.3	Very high	94.9	Very high	92 Å²	92	62.1 Å²	62.1	43%	0.43	32%	0.322	S	S	.	.	H	α-helix	trans	-69.6	-42.1	173.4	-66.1	-57.6	148.3	0	0	111.2	T162 E163 E164 L168 G169 G171 S172 A175	T162-E166 WeakPolarHBondContact O-CG 3.39Å; T162-E166 PolarHBondContact O-N 3.39Å; E163-E166 PolarHBondContact O-N 3.25Å; E164-E166 VanDerWaalsContact C-N 3.33Å; E164-E166 PolarHBondContact O-N 3.32Å; E166-L168 PolarHBondContact O-N 3.1Å; E166-G169 PolarHBondContact O-N 2.89Å; E166-G171 WeakPolarHBondContact OE1-CA 3.35Å; E166-S172 PolarHBondContact OE1-N 3.34Å; E166-A175 WeakPolarHBondContact OE1-CB 3.47Å
167	R	96.4	Very high	93.7	Very high	153 Å²	153	63.5 Å²	63.5	58%	0.577	33%	0.334	S	S	*	.	H	α-helix	trans	-56.7	-37.9	175.4	-172	-170.7	70.5	76.8	-7.4	112	E163 E164 G169	E163-R167 WeakPolarHBondContact O-CB 3.48Å; E163-R167 PolarHBondContact O-N 2.96Å; E164-R167 WeakPolarHBondContact O-CB 3.48Å; E164-R167 PolarHBondContact O-N 2.87Å; E164-R167 IonicContact OE1-CZ 3.46Å; E164-R167 IonicContact OE1-NE 3.57Å; E164-R167 PolarHBondContact OE1-NE 3.27Å; E164-R167 IonicContact OE1-NH2 3.61Å; E164-R167 PolarHBondContact OE1-NH2 3.16Å; E164-R167 IonicContact OE2-CZ 2.92Å; E164-R167 IonicContact OE2-NE 3.48Å; E164-R167 PolarHBondContact OE2-NE 2.89Å; E164-R167 IonicContact OE2-NH2 2.78Å; R167-G169 VanDerWaalsContact C-N 3.3Å
168	L	95.3	Very high	92.2	Very high	20 Å²	20	57.1 Å²	57.1	11%	0.105	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-0.4	178.3	-65.4	174.2	0	0	0	114	R70 F141 E164 E166 I170	R70-L168 PolarHBondContact NH2-O 3.17Å; F141-L168 HydrophobicContact CB-CD1 3.54Å; F141-L168 HydrophobicContact CD2-CD1 3.69Å; F141-L168 HydrophobicContact CG-CD1 3.81Å; E164-L168 HydrophobicContact CG-CD1 4.37Å; E164-L168 VanDerWaalsContact O-CG 3.32Å; E164-L168 WeakPolarHBondContact O-CG 3.48Å; E164-L168 PolarHBondContact O-N 2.88Å; E166-L168 PolarHBondContact O-N 3.1Å; L168-I170 HydrophobicContact CB-CD1 4.13Å; L168-I170 HydrophobicContact CB-CG1 4.25Å; L168-I170 HydrophobicContact CD1-CD1 4.39Å; L168-I170 PolarHBondContact O-N 3Å
169	G	95.1	Very high	90.8	Very high	69 Å²	69	59.9 Å²	59.9	71%	0.711	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	9.9	-179.1	0	0	0	0	0	114.9	L165 E166 R167	L165-G169 PolarHBondContact O-N 3.18Å; E166-G169 PolarHBondContact O-N 2.89Å; R167-G169 VanDerWaalsContact C-N 3.3Å
170	I	94.6	Very high	89.1	Confident	20 Å²	20	66.5 Å²	66.5	10%	0.103	35%	0.352	C	S	.	.			trans	-79.2	-39.7	177.3	-64.7	170.8	0	0	0	109.9	R70 I71 I99 K102 L111 L165 L168	R70-I170 HydrophobicContact CB-CD1 4.22Å; I71-I170 HydrophobicContact CD1-CD1 3.9Å; I71-I170 HydrophobicContact CD1-CG2 4.28Å; I71-I170 HydrophobicContact CG1-CD1 3.81Å; I99-I170 HydrophobicContact CD1-CG2 3.57Å; K102-I170 PolarHBondContact NZ-O 3.42Å; L111-I170 HydrophobicContact CD1-CG1 4.23Å; L111-I170 HydrophobicContact CD1-CG2 3.82Å; L165-I170 HydrophobicContact CD2-CB 4.3Å; L165-I170 HydrophobicContact CD2-CD1 4.31Å; L165-I170 HydrophobicContact CD2-CG2 4.13Å; L165-I170 PolarHBondContact O-N 3.38Å; L168-I170 HydrophobicContact CB-CD1 4.13Å; L168-I170 HydrophobicContact CB-CG1 4.25Å; L168-I170 HydrophobicContact CD1-CD1 4.39Å; L168-I170 PolarHBondContact O-N 3Å
171	G	94.4	Very high	87.4	Confident	11 Å²	11	68.8 Å²	68.8	11%	0.113	36%	0.364	C	S	.	.			trans	75.3	155.2	-179.6	0	0	0	0	0	114.4	K102 L165 E166	K102-G171 VanDerWaalsContact NZ-C 3.33Å; K102-G171 PolarHBondContact NZ-O 3.12Å; L165-G171 PolarHBondContact O-N 3.28Å; E166-G171 WeakPolarHBondContact OE1-CA 3.35Å
172	S	96.1	Very high	85.5	Confident	6 Å²	6	78 Å²	78	4%	0.042	40%	0.404	C	S	.	.			trans	-117.9	137.7	-178.3	175.9	0	0	0	0	111.6	H97 T162 E166 L174 A175	H97-S172 PolarHBondContact ND1-OG 3.4Å; T162-S172 PolarHBondContact OG1-OG 2.94Å; E166-S172 PolarHBondContact OE1-N 3.34Å; S172-L174 PolarHBondContact O-N 2.79Å; S172-L174 PolarHBondContact OG-N 3.26Å; S172-A175 PolarHBondContact O-N 3.48Å
173	A	95.3	Very high	83.2	Confident	46 Å²	46	85.1 Å²	85.1	38%	0.38	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.9	171.6	0	0	0	0	0	112.5	H97	H97-A173 PolarHBondContact O-N 3.26Å
174	L	94.2	Very high	82.5	Confident	59 Å²	59	82.7 Å²	82.7	31%	0.309	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-20.8	-178.3	-57.4	-178.7	0	0	0	113.7	M96 S172 K176 V177	M96-L174 HydrophobicContact CB-CD1 4.44Å; M96-L174 WeakPolarHBondContact O-CD2 3.49Å; M96-L174 WeakPolarHBondContact O-CG 3.26Å; S172-L174 PolarHBondContact O-N 2.79Å; S172-L174 PolarHBondContact OG-N 3.26Å; L174-K176 PolarHBondContact O-N 3.43Å; L174-V177 WeakPolarHBondContact O-CB 3.46Å; L174-V177 PolarHBondContact O-N 2.93Å
175	A	88.9	Confident	81.7	Confident	21 Å²	21	84.8 Å²	84.8	17%	0.174	45%	0.452	C	S	.	.	H	α-helix	trans	-58.6	-33.1	179.2	0	0	0	0	0	112.2	T162 E166 S172 V177 S178	T162-A175 HydrophobicContact CG2-CB 3.85Å; E166-A175 WeakPolarHBondContact OE1-CB 3.47Å; S172-A175 PolarHBondContact O-N 3.48Å; A175-V177 PolarHBondContact O-N 2.89Å; A175-S178 PolarHBondContact O-OG 2.92Å; A175-S178 VanDerWaalsContact O-OG 3.13Å
176	K	74.4	Confident	80.8	Confident	160 Å²	160	89.5 Å²	89.5	70%	0.696	48%	0.476	S	S	*	.	H	α-helix	trans	-74	-13.7	-179.9	-60.9	179.6	-177	177.8	0	113.8	L174	L174-K176 PolarHBondContact O-N 3.43Å
177	V	72.6	Confident	79.9	Confident	75 Å²	75	89.4 Å²	89.4	46%	0.455	48%	0.479	S	S	.	.	H	α-helix	trans	-88	-42.1	-176.8	-175.3	0	0	0	0	110.3	L174 A175 D179 K180 E181	L174-V177 WeakPolarHBondContact O-CB 3.46Å; L174-V177 PolarHBondContact O-N 2.93Å; A175-V177 PolarHBondContact O-N 2.89Å; V177-D179 VanDerWaalsContact C-N 3.31Å; V177-D179 PolarHBondContact O-N 2.98Å; V177-K180 PolarHBondContact O-N 3.07Å; V177-E181 PolarHBondContact O-N 3.48Å
178	S	66.8	Low	78.9	Confident	66 Å²	66	85.4 Å²	85.4	46%	0.462	47%	0.473	S	S	.	.	H	α-helix	trans	-63.5	-33.8	-177.9	51.5	0	0	0	0	113.6	A175 K180 E181	A175-S178 PolarHBondContact O-OG 2.92Å; A175-S178 VanDerWaalsContact O-OG 3.13Å; S178-K180 VanDerWaalsContact C-N 3.3Å; S178-K180 PolarHBondContact O-N 2.92Å; S178-E181 PolarHBondContact O-N 2.98Å
179	D	66.1	Low	77.8	Confident	115 Å²	115	89.7 Å²	89.7	62%	0.615	50%	0.498	S	S	*	.	H	α-helix	trans	-71.4	-26.6	179.5	-67.5	-17	0	0	0	112.6	V177 T183	V177-D179 VanDerWaalsContact C-N 3.31Å; V177-D179 PolarHBondContact O-N 2.98Å; D179-T183 PolarHBondContact O-OG1 3.47Å
180	K	61.3	Low	76.6	Confident	165 Å²	165	91.2 Å²	91.2	72%	0.717	48%	0.482	S	S	*	.	H	α-helix	trans	-80.1	-25.7	178.7	-68.7	-174.7	179.6	-176.2	0	113.4	V177 S178 K182	V177-K180 PolarHBondContact O-N 3.07Å; S178-K180 VanDerWaalsContact C-N 3.3Å; S178-K180 PolarHBondContact O-N 2.92Å; K180-K182 VanDerWaalsContact C-N 3.31Å
181	E	62	Low	75.2	Confident	162 Å²	162	96.7 Å²	96.7	76%	0.757	51%	0.512	S	S	*	.	H	α-helix	trans	-81.4	-15.2	176.9	-68.7	-178.1	164.9	0	0	112.7	V177 S178	V177-E181 PolarHBondContact O-N 3.48Å; S178-E181 PolarHBondContact O-N 2.98Å
182	K	57.8	Low	73.6	Confident	193 Å²	193	103.8 Å²	103.8	84%	0.839	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	1.2	-179	-137.9	175	-174.8	179.2	0	114.1	K180	K180-K182 VanDerWaalsContact C-N 3.31Å
183	T	47.5	Very low	71.5	Confident	178 Å²	178	112.7 Å²	112.7	100%	1.092	59%	0.59	S	S	*	*			trans	-114.7	0	178.1	-50.1	0	0	0	0	110.1	D179	D179-T183 PolarHBondContact O-OG1 3.47Å

Retrieved 183 of 183 residues in 123.2 ms (Link to these results)

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