A0A087XW27_POEFO Loading...

Thioredoxin, mitochondrial

AlphaFold DB , UniProt , Accession A0A087XW27, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 168 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	45.7	Very low	41.8	Very low	248 Å²	248	175.7 Å²	175.7	100%	1.222	83%	0.828	S	S	*	*				0	105.9	0	-69.9	-168.8	175.3	0	0	107.7
2	A	44.7	Very low	41.1	Very low	93 Å²	93	174.4 Å²	174.4	77%	0.769	83%	0.825	S	S	*	*			trans	-77.9	149.9	178	0	0	0	0	0	110.3
3	H	37.7	Very low	41	Very low	157 Å²	157	172.7 Å²	172.7	73%	0.727	82%	0.823	S	S	*	*			trans	-179.5	113.4	135.8	-101.6	-137.4	0	0	0	107.2
4	R	44.3	Very low	40.8	Very low	206 Å²	206	167.4 Å²	167.4	78%	0.777	81%	0.813	S	S	*	*				66.6	139.9	104.3	-68.2	-174.6	170.8	-156.3	-3	114.2
5	L	43.4	Very low	41.3	Very low	129 Å²	129	167.8 Å²	167.8	68%	0.675	82%	0.816	S	S	*	*			cis	-176.2	145	-11.3	-103	160.4	0	0	0	103.7
6	L	44.8	Very low	41.1	Very low	145 Å²	145	168.4 Å²	168.4	76%	0.759	81%	0.813	S	S	*	*			trans	62.7	109.7	140.4	-66.3	165.8	0	0	0	122.1
7	A	37.3	Very low	41	Very low	83 Å²	83	165.7 Å²	165.7	69%	0.686	80%	0.804	S	S	*	*				50.3	97.9	112.6	0	0	0	0	0	118.4	R9	A7-R9 PolarHBondContact O-N 2.76Å
8	R	42.6	Very low	41.5	Very low	253 Å²	253	164.2 Å²	164.2	96%	0.955	81%	0.806	S	S	*	*			trans	-82.7	104.4	158.2	-78.5	-179	145.6	-165	-7.1	109.7
9	R	43.7	Very low	41.5	Very low	225 Å²	225	165.3 Å²	165.3	85%	0.849	80%	0.8	S	S	*	*			trans	-65.1	127.6	175	-79.7	175.5	154.5	-168.8	-6.8	111.1	A7 W11	A7-R9 PolarHBondContact O-N 2.76Å; R9-W11 PolarHBondContact O-N 3.39Å
10	I	41.8	Very low	41.6	Very low	148 Å²	148	161.7 Å²	161.7	76%	0.759	79%	0.792	S	S	*	*			trans	-49.3	122.9	160.8	-64.1	151.9	0	0	0	109.1	M12	I10-M12 HydrophobicContact CG2-CG 4.22Å
11	W	33.4	Very low	42	Very low	246 Å²	246	160.4 Å²	160.4	93%	0.932	79%	0.787	S	S	*	*			trans	-101.7	106.8	160.9	-99.8	67.3	0	0	0	108.2	R9	R9-W11 PolarHBondContact O-N 3.39Å
12	M	34.2	Very low	42	Very low	160 Å²	160	153.6 Å²	153.6	79%	0.788	76%	0.762	S	S	*	*			trans	-64.8	148.4	170.1	-73.5	-178.8	-172.2	0	0	110.8	I10	I10-M12 HydrophobicContact CG2-CG 4.22Å
13	L	39.8	Very low	41.8	Very low	152 Å²	152	155.1 Å²	155.1	80%	0.796	77%	0.767	S	S	*	*			trans	-22.2	132.4	158.9	-84.6	63.9	0	0	0	115
14	S	38.3	Very low	42.3	Very low	98 Å²	98	152.9 Å²	152.9	69%	0.685	77%	0.769	S	S	*	*			trans	-135.5	77.1	143.8	-172.5	0	0	0	0	109.3	K16	S14-K16 PolarHBondContact O-N 3.48Å
15	M	48.5	Very low	42.2	Very low	174 Å²	174	147.3 Å²	147.3	86%	0.857	77%	0.767	S	S	*	*			trans	-70	104.4	153.1	-78.9	170.1	162	0	0	107.5
16	K	38.1	Very low	42.3	Very low	178 Å²	178	148.5 Å²	148.5	77%	0.774	78%	0.779	S	S	*	*			trans	-141.5	101.8	165.8	-66.9	-171.6	-179	179.3	0	109.6	S14	S14-K16 PolarHBondContact O-N 3.48Å
17	D	39.5	Very low	42.1	Very low	122 Å²	122	147.8 Å²	147.8	65%	0.652	78%	0.781	S	S	*	*			trans	53.9	78.9	153.5	-75.6	-85.8	0	0	0	119.1	R19	D17-R19 PolarHBondContact O-N 3.38Å; D17-R19 IonicContact OD1-CZ 3.64Å; D17-R19 IonicContact OD1-NE 3.72Å; D17-R19 IonicContact OD1-NH2 2.76Å; D17-R19 PolarHBondContact OD1-NH2 3.3Å
18	V	48.7	Very low	42.7	Very low	139 Å²	139	149.2 Å²	149.2	84%	0.842	79%	0.786	S	S	*	*			trans	-49.3	118.5	132.4	172.5	0	0	0	0	108.2
19	R	42.8	Very low	42.9	Very low	185 Å²	185	142.4 Å²	142.4	70%	0.698	78%	0.777	S	S	*	*			trans	-174.3	90.2	144.4	-102.5	173.8	-62.5	-150.2	6.1	110.1	D17 L21	D17-R19 PolarHBondContact O-N 3.38Å; D17-R19 IonicContact OD1-CZ 3.64Å; D17-R19 IonicContact OD1-NE 3.72Å; D17-R19 IonicContact OD1-NH2 2.76Å; D17-R19 PolarHBondContact OD1-NH2 3.3Å; R19-L21 HydrophobicContact CB-CD1 4.13Å; R19-L21 HydrophobicContact CG-CD1 3.77Å; R19-L21 PolarHBondContact O-N 3.36Å
20	C	43.2	Very low	43.2	Very low	93 Å²	93	136.7 Å²	136.7	63%	0.628	77%	0.771	S	S	*	*			trans	-77.2	102.1	154	-82.6	0	0	0	0	108.1
21	L	49.5	Very low	43.4	Very low	134 Å²	134	139.1 Å²	139.1	70%	0.702	78%	0.777	S	S	*	*			trans	-114.2	136.2	168.7	-91.5	136.1	0	0	0	110.1	R19	R19-L21 HydrophobicContact CB-CD1 4.13Å; R19-L21 HydrophobicContact CG-CD1 3.77Å; R19-L21 PolarHBondContact O-N 3.36Å
22	P	46.9	Very low	44.1	Very low	106 Å²	106	132.9 Å²	132.9	69%	0.688	77%	0.771	S	S	*	*			trans	-81.6	132.6	172.2	31.5	-30.2	0	0	0	110.9	S24	P22-S24 PolarHBondContact O-N 3.39Å
23	S	40	Very low	44.8	Very low	124 Å²	124	131.1 Å²	131.1	87%	0.867	77%	0.769	S	S	*	*			trans	-81.6	106.1	172.8	-171.9	0	0	0	0	110.5
24	S	47.5	Very low	45.5	Very low	111 Å²	111	128.8 Å²	128.8	78%	0.776	77%	0.765	S	S	*	*			trans	-82.4	126.3	163.6	-44.2	0	0	0	0	109.2	P22	P22-S24 PolarHBondContact O-N 3.39Å
25	A	42.2	Very low	46	Very low	88 Å²	88	131.8 Å²	131.8	73%	0.727	77%	0.773	S	S	*	*			trans	-168.7	91.7	154.2	0	0	0	0	0	110.1
26	V	45.4	Very low	46.2	Very low	154 Å²	154	131.7 Å²	131.7	93%	0.933	77%	0.77	S	S	*	*			trans	-93.1	113.1	157	-114.2	0	0	0	0	105.6
27	T	41.4	Very low	46.9	Very low	131 Å²	131	129 Å²	129	80%	0.804	77%	0.771	S	S	*	*			trans	-118.5	113.5	170.2	26.8	0	0	0	0	109.6
28	S	48.8	Very low	47.6	Very low	112 Å²	112	129.8 Å²	129.8	78%	0.783	78%	0.78	S	S	*	*			trans	-50.4	145.1	162.9	48.8	0	0	0	0	114.4
29	S	46.3	Very low	47.4	Very low	111 Å²	111	128.8 Å²	128.8	78%	0.776	78%	0.779	S	S	*	*			trans	-166.9	101	140.5	57.8	0	0	0	0	112.2
30	S	50.7	Low	47.9	Very low	104 Å²	104	125.2 Å²	125.2	73%	0.727	78%	0.782	S	S	*	*				28.9	130.1	120.9	-65.7	0	0	0	0	122.4
31	F	45.9	Very low	48.5	Very low	199 Å²	199	131.4 Å²	131.4	87%	0.873	79%	0.792	S	S	*	*			trans	61.3	124.4	138	-77.7	-98.6	0	0	0	120.5
32	S	48.3	Very low	48.7	Very low	116 Å²	116	133.6 Å²	133.6	81%	0.811	80%	0.801	S	S	*	*				-173.6	136	110.2	-164.7	0	0	0	0	112.4
33	T	48.8	Very low	49.1	Very low	123 Å²	123	132.7 Å²	132.7	76%	0.755	80%	0.797	S	S	*	*			trans	-64.7	138.1	171	-13.3	0	0	0	0	111.4
34	S	55.6	Low	49.8	Very low	102 Å²	102	135.9 Å²	135.9	71%	0.713	80%	0.796	S	S	*	*			trans	-161.4	127.4	144	-158.4	0	0	0	0	112.1
35	L	48.8	Very low	50.2	Low	162 Å²	162	138.7 Å²	138.7	85%	0.848	80%	0.802	S	S	*	*			trans	-84.3	129.9	172.1	-82.1	142.7	0	0	0	109.5
36	H	51.6	Low	51.2	Low	171 Å²	171	138.4 Å²	138.4	79%	0.792	80%	0.799	S	S	*	*			trans	-144.3	153.1	158.3	-77.6	-63.3	0	0	0	112
37	P	53.4	Low	51.4	Low	122 Å²	122	137.2 Å²	137.2	79%	0.792	79%	0.794	S	S	*	*			trans	-94.4	168.2	-160.9	36.7	-33	0	0	0	115.1
38	V	53.7	Low	52	Low	138 Å²	138	135.9 Å²	135.9	84%	0.836	79%	0.791	S	S	*	*			trans	-44.2	132.6	177.4	173.2	0	0	0	0	114.7
39	S	45	Very low	52.2	Low	118 Å²	118	142.1 Å²	142.1	83%	0.825	80%	0.797	S	S	*	*			trans	-157.6	127.8	142.4	-166.1	0	0	0	0	111.7
40	S	53.1	Low	52.7	Low	110 Å²	110	142.1 Å²	142.1	77%	0.769	79%	0.792	S	S	*	*			trans	-53.7	129.7	177.9	-65.7	0	0	0	0	113.5
41	R	55.7	Low	52.9	Low	223 Å²	223	142.6 Å²	142.6	84%	0.842	79%	0.793	S	S	*	*			trans	-153.1	104.3	143.8	-128.9	169.4	-174.3	-116.5	2.4	110	S43	R41-S43 PolarHBondContact O-N 3.26Å
42	M	53.2	Low	53.4	Low	180 Å²	180	137.1 Å²	137.1	89%	0.887	78%	0.784	S	S	*	*			trans	-61.2	117.9	163.2	-162	97.4	84.4	0	0	107
43	S	55.1	Low	53.4	Low	87 Å²	87	137.9 Å²	137.9	61%	0.608	78%	0.784	S	S	*	*			trans	-146.5	105.3	171.7	-67.6	0	0	0	0	107.7	R41	R41-S43 PolarHBondContact O-N 3.26Å
44	F	55.1	Low	53.5	Low	192 Å²	192	135.4 Å²	135.4	84%	0.842	77%	0.772	S	S	*	*			trans	-45.1	136.8	164.2	-68.9	-97.5	0	0	0	110.4
45	L	56.1	Low	53.2	Low	170 Å²	170	139.1 Å²	139.1	89%	0.89	78%	0.777	S	S	*	*			trans	-172.1	118.1	147.9	-95.6	146.4	0	0	0	110.4
46	A	63.3	Low	53.3	Low	81 Å²	81	134.9 Å²	134.9	67%	0.669	77%	0.765	S	S	*	*			trans	52	121.9	153.5	0	0	0	0	0	120.1	S48	A46-S48 PolarHBondContact O-N 2.75Å
47	P	49.2	Very low	53.1	Low	129 Å²	129	132.9 Å²	132.9	84%	0.838	77%	0.765	S	S	*	*			trans	-63.6	112.3	158.8	26.8	-29.2	0	0	0	108.2	R49	P47-R49 PolarHBondContact O-N 2.95Å
48	S	54.2	Low	53	Low	104 Å²	104	137.7 Å²	137.7	73%	0.727	77%	0.767	S	S	*	*			trans	-56.4	100.8	166.2	48.2	0	0	0	0	108.7	A46 T50	A46-S48 PolarHBondContact O-N 2.75Å; S48-T50 PolarHBondContact O-N 3.33Å
49	R	52.6	Low	53.3	Low	242 Å²	242	141.3 Å²	141.3	91%	0.913	77%	0.766	S	S	*	*			trans	-65.7	92.6	159.7	-79.5	-175.5	-179.5	-157.4	-0	106.6	P47	P47-R49 PolarHBondContact O-N 2.95Å
50	T	57.3	Low	54	Low	111 Å²	111	138.9 Å²	138.9	68%	0.681	75%	0.753	S	S	*	*			trans	-52.4	127.7	156.2	46.6	0	0	0	0	106.9	S48 A52	S48-T50 PolarHBondContact O-N 3.33Å; T50-A52 PolarHBondContact O-N 3.5Å
51	P	55.4	Low	55.5	Low	115 Å²	115	136 Å²	136	75%	0.747	73%	0.731	S	S	*	*			trans	-59.4	114.9	163.7	26	-28.5	0	0	0	105.2	V53	P51-V53 PolarHBondContact O-N 2.96Å
52	A	55.8	Low	57.4	Low	83 Å²	83	127.4 Å²	127.4	69%	0.686	71%	0.705	S	S	*	*			trans	-62.3	92.8	167.9	0	0	0	0	0	105.8	T50 S54	T50-A52 PolarHBondContact O-N 3.5Å; A52-S54 VanDerWaalsContact C-N 3.29Å; A52-S54 WeakPolarHBondContact O-CA 3.3Å; A52-S54 PolarHBondContact O-N 3.38Å; A52-S54 PolarHBondContact O-OG 3.18Å
53	V	47.8	Very low	59.5	Low	133 Å²	133	119.8 Å²	119.8	81%	0.806	67%	0.667	S	S	*	*			trans	-55.8	108	164.8	179.3	0	0	0	0	104.3	P51 H55	P51-V53 PolarHBondContact O-N 2.96Å; V53-H55 PolarHBondContact O-N 3.42Å; V53-H55 VanDerWaalsContact O-N 3.16Å
54	S	51.5	Low	61.5	Low	70 Å²	70	119.6 Å²	119.6	49%	0.49	66%	0.659	S	S	.	*			trans	-63.9	121.1	-158.8	-41.5	0	0	0	0	108	A52 A56 V57	A52-S54 VanDerWaalsContact C-N 3.29Å; A52-S54 WeakPolarHBondContact O-CA 3.3Å; A52-S54 PolarHBondContact O-N 3.38Å; A52-S54 PolarHBondContact O-OG 3.18Å; S54-A56 PolarHBondContact O-N 3.38Å; S54-V57 PolarHBondContact O-N 3.1Å
55	H	49.6	Very low	63.6	Low	181 Å²	181	110.7 Å²	110.7	84%	0.838	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-51.1	-13.9	163.7	-105.9	68.8	0	0	0	112.4	V53 V57 R58	V53-H55 PolarHBondContact O-N 3.42Å; V53-H55 VanDerWaalsContact O-N 3.16Å; H55-V57 PolarHBondContact O-N 3.38Å; H55-R58 PolarHBondContact O-N 2.64Å
56	A	50	Low	65.6	Low	72 Å²	72	108.8 Å²	108.8	60%	0.595	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-61.1	-19	171.5	0	0	0	0	0	115.2	S54 R58	S54-A56 PolarHBondContact O-N 3.38Å; A56-R58 VanDerWaalsContact C-N 3.35Å
57	V	47.6	Very low	67.3	Low	130 Å²	130	108.5 Å²	108.5	79%	0.788	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-100.6	31.4	178.4	-162.4	0	0	0	0	111.9	S54 H55	S54-V57 PolarHBondContact O-N 3.1Å; H55-V57 PolarHBondContact O-N 3.38Å
58	R	53	Low	69.6	Low	222 Å²	222	105.6 Å²	105.6	84%	0.838	57%	0.571	S	S	*	*			trans	-123.8	49.6	160.5	-69.3	-165.8	164.7	-150.8	-3.5	109.9	H55 A56 A60	H55-R58 PolarHBondContact O-N 2.64Å; A56-R58 VanDerWaalsContact C-N 3.35Å; R58-A60 PolarHBondContact O-N 3.42Å
59	R	58.1	Low	71.7	Confident	215 Å²	215	107.1 Å²	107.1	81%	0.811	57%	0.567	S	S	*	*			trans	-55.9	125.9	154.7	-77.6	-175	171	118.1	-4.6	106.3	V61	R59-V61 PolarHBondContact O-N 2.92Å; R59-V61 VanDerWaalsContact O-N 3.17Å
60	A	60.8	Low	73.9	Confident	67 Å²	67	96.8 Å²	96.8	55%	0.554	53%	0.53	S	S	*	.			trans	-52	127	173.2	0	0	0	0	0	107.7	R58 S62	R58-A60 PolarHBondContact O-N 3.42Å; A60-S62 VanDerWaalsContact CB-O 3.26Å; A60-S62 WeakPolarHBondContact CB-O 3.09Å; A60-S62 PolarHBondContact O-N 2.93Å
61	V	84.5	Confident	75.8	Confident	50 Å²	50	91.7 Å²	91.7	30%	0.303	50%	0.499	S	S	.	.	S	Bend	trans	-62.7	-23.9	-177.9	-166.5	0	0	0	0	110.2	R59 V105 V112 A113 M114	R59-V61 PolarHBondContact O-N 2.92Å; R59-V61 VanDerWaalsContact O-N 3.17Å; V61-V105 HydrophobicContact CB-CG1 4.25Å; V61-V105 HydrophobicContact CG1-CG1 3.28Å; V61-V112 WeakPolarHBondContact CG1-O 3.49Å; V61-A113 CarbonylContact O-C 3.53Å; V61-A113 WeakPolarHBondContact O-CA 3.36Å; V61-M114 PolarHBondContact O-N 2.78Å
62	S	95.1	Very high	77.9	Confident	42 Å²	42	89.2 Å²	89.2	29%	0.294	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.7	171.8	57.4	0	0	0	0	111.3	A60 M114	A60-S62 VanDerWaalsContact CB-O 3.26Å; A60-S62 WeakPolarHBondContact CB-O 3.09Å; A60-S62 PolarHBondContact O-N 2.93Å; S62-M114 CarbonylContact C-O 3.49Å; S62-M114 VanDerWaalsContact CA-O 3.26Å; S62-M114 WeakPolarHBondContact CA-O 3.48Å
63	F	97.1	Very high	79.8	Confident	19 Å²	19	90.9 Å²	90.9	8%	0.083	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	156.1	177.2	58.3	-93.6	0	0	0	112.8	V65 R74 V75 A113 M114 A115 K116	F63-V65 HydrophobicContact CE2-CG2 4.28Å; F63-R74 VanDerWaalsContact CD1-NH2 3.28Å; F63-R74 HydrophobicContact CE2-CB 3.89Å; F63-R74 VanDerWaalsContact CG-CZ 3.41Å; F63-R74 HydrophobicContact CZ-CB 3.67Å; F63-V75 HydrophobicContact CZ-CG2 4.37Å; F63-A113 HydrophobicContact CE1-CB 4.33Å; F63-M114 VanDerWaalsContact CD1-O 3.28Å; F63-M114 WeakPolarHBondContact CD1-O 3.26Å; F63-M114 PolarHBondContact N-O 2.94Å; F63-A115 HydrophobicContact CD2-CB 4.31Å; F63-A115 HydrophobicContact CE1-CB 4.45Å; F63-A115 HydrophobicContact CE2-CB 3.64Å; F63-A115 HydrophobicContact CZ-CB 3.71Å; F63-A115 CarbonylContact O-C 3.54Å; F63-A115 WeakPolarHBondContact O-CA 3.28Å; F63-K116 PolarHBondContact O-N 3.37Å
64	N	98.1	Very high	82.2	Confident	83 Å²	83	88.3 Å²	88.3	44%	0.444	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	133.9	170	-71.3	72.1	0	0	0	109.7	Q66	N64-Q66 PolarHBondContact O-NE2 3.02Å
65	V	98.4	Very high	84.4	Confident	6 Å²	6	85.1 Å²	85.1	4%	0.036	43%	0.428	C	S	.	.			trans	-70.4	136.2	171.9	176.2	0	0	0	0	108.6	F63 D67 D70 F71 A115 K116 V117 H122 L125	F63-V65 HydrophobicContact CE2-CG2 4.28Å; V65-D67 WeakPolarHBondContact CG1-O 3.38Å; V65-D70 WeakPolarHBondContact CA-OD2 3.4Å; V65-F71 HydrophobicContact CG1-CB 3.89Å; V65-F71 HydrophobicContact CG1-CD2 4.18Å; V65-F71 HydrophobicContact CG2-CD2 4.04Å; V65-A115 HydrophobicContact CG2-CB 3.97Å; V65-K116 PolarHBondContact N-O 2.83Å; V65-V117 HydrophobicContact CB-CG2 4.14Å; V65-V117 HydrophobicContact CG2-CG2 3.7Å; V65-H122 PolarHBondContact O-NE2 2.75Å; V65-H122 VanDerWaalsContact O-NE2 3.17Å; V65-L125 HydrophobicContact CG1-CD1 4.22Å
66	Q	98.1	Very high	86.7	Confident	129 Å²	129	78.4 Å²	78.4	60%	0.603	40%	0.398	S	S	*	.			trans	-99	-37	-178.7	-57.6	-54.5	-71.8	0	0	113	N64 D70 H122	N64-Q66 PolarHBondContact O-NE2 3.02Å; Q66-D70 HydrophobicContact CB-CB 4.21Å; Q66-D70 PolarHBondContact N-OD2 2.66Å; Q66-H122 PolarHBondContact O-CE1 2.91Å; Q66-H122 VanDerWaalsContact O-CE1 3.31Å
67	D	98.4	Very high	89	Confident	75 Å²	75	80.1 Å²	80.1	40%	0.401	40%	0.397	S	S	.	.	S	Bend	trans	-165.3	-175.8	-179.8	55.2	46.6	0	0	0	109.9	V65 E69 D70 F71	V65-D67 WeakPolarHBondContact CG1-O 3.38Å; D67-E69 VanDerWaalsContact C-N 3.32Å; D67-E69 PolarHBondContact O-N 3.27Å; D67-E69 WeakPolarHBondContact OD1-CA 3.48Å; D67-E69 WeakPolarHBondContact OD1-CB 3.25Å; D67-E69 PolarHBondContact OD1-N 3.41Å; D67-D70 PolarHBondContact O-N 3.28Å; D67-D70 PolarHBondContact OD1-N 3.01Å; D67-F71 PolarHBondContact O-N 3.48Å
68	N	98.1	Very high	91.3	Very high	68 Å²	68	75.1 Å²	75.1	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-66.6	-29.9	-179.8	-74.1	-71.9	0	0	0	113.9	T72 D124 L125	N68-T72 WeakPolarHBondContact O-CB 3.42Å; N68-T72 PolarHBondContact O-N 2.88Å; N68-T72 PolarHBondContact O-OG1 2.93Å; N68-D124 PolarHBondContact ND2-OD2 3.38Å; N68-D124 PolarHBondContact OD1-OD2 2.92Å; N68-L125 WeakPolarHBondContact OD1-CD2 3.4Å
69	E	98.3	Very high	93.3	Very high	136 Å²	136	72.6 Å²	72.6	64%	0.636	37%	0.371	S	S	*	.	H	α-helix	trans	-71.5	-46.4	178	-172	170.7	-172.1	0	0	109.3	D67 F71 T72 E73	D67-E69 VanDerWaalsContact C-N 3.32Å; D67-E69 PolarHBondContact O-N 3.27Å; D67-E69 WeakPolarHBondContact OD1-CA 3.48Å; D67-E69 WeakPolarHBondContact OD1-CB 3.25Å; D67-E69 PolarHBondContact OD1-N 3.41Å; E69-F71 VanDerWaalsContact C-N 3.31Å; E69-F71 PolarHBondContact O-N 2.67Å; E69-T72 PolarHBondContact O-N 3.11Å; E69-T72 VanDerWaalsContact O-N 3.12Å; E69-E73 WeakPolarHBondContact O-CG 3.28Å; E69-E73 PolarHBondContact O-N 3.45Å
70	D	98.4	Very high	95	Very high	26 Å²	26	65.7 Å²	65.7	14%	0.139	35%	0.35	C	S	.	.	H	α-helix	trans	-58.3	-41	173.5	-174.8	62.8	0	0	0	111.8	V65 Q66 D67 R74	V65-D70 WeakPolarHBondContact CA-OD2 3.4Å; Q66-D70 HydrophobicContact CB-CB 4.21Å; Q66-D70 PolarHBondContact N-OD2 2.66Å; D67-D70 PolarHBondContact O-N 3.28Å; D67-D70 PolarHBondContact OD1-N 3.01Å; D70-R74 WeakPolarHBondContact O-CB 3.36Å; D70-R74 WeakPolarHBondContact O-CG 3.32Å; D70-R74 PolarHBondContact O-N 3.01Å; D70-R74 WeakPolarHBondContact OD1-CD 3.47Å; D70-R74 IonicContact OD1-CZ 2.66Å; D70-R74 IonicContact OD1-NE 3.91Å; D70-R74 IonicContact OD1-NH1 2.89Å; D70-R74 PolarHBondContact OD1-NH1 3.24Å; D70-R74 IonicContact OD2-NH1 3.26Å; D70-R74 PolarHBondContact OD2-NH1 3.45Å
71	F	98.4	Very high	96.8	Very high	4 Å²	4	62.8 Å²	62.8	2%	0.018	33%	0.325	C	S	.	.	H	α-helix	trans	-62.4	-47.2	173.9	-170.9	-95.9	0	0	0	111.8	V65 D67 E69 E73 R74 V75 I76 V84 V117 L125 Y129 M140	V65-F71 HydrophobicContact CG1-CB 3.89Å; V65-F71 HydrophobicContact CG1-CD2 4.18Å; V65-F71 HydrophobicContact CG2-CD2 4.04Å; D67-F71 PolarHBondContact O-N 3.48Å; E69-F71 VanDerWaalsContact C-N 3.31Å; E69-F71 PolarHBondContact O-N 2.67Å; F71-E73 PolarHBondContact O-N 3.41Å; F71-R74 PolarHBondContact O-N 3.35Å; F71-V75 HydrophobicContact CD1-CB 4.38Å; F71-V75 HydrophobicContact CD2-CB 4.11Å; F71-V75 HydrophobicContact CD2-CG2 3.62Å; F71-V75 HydrophobicContact CE1-CB 4.25Å; F71-V75 HydrophobicContact CE1-CG1 4.29Å; F71-V75 HydrophobicContact CE2-CB 3.98Å; F71-V75 HydrophobicContact CE2-CG1 3.96Å; F71-V75 HydrophobicContact CE2-CG2 3.71Å; F71-V75 HydrophobicContact CG-CB 4.31Å; F71-V75 HydrophobicContact CG-CG2 4.15Å; F71-V75 HydrophobicContact CZ-CB 4.05Å; F71-V75 HydrophobicContact CZ-CG1 3.79Å; F71-V75 HydrophobicContact CZ-CG2 4.31Å; F71-V75 WeakPolarHBondContact O-CA 3.31Å; F71-V75 WeakPolarHBondContact O-CB 3.42Å; F71-V75 PolarHBondContact O-N 2.95Å; F71-I76 HydrophobicContact CD1-CD1 4.4Å; F71-I76 HydrophobicContact CD1-CG1 4.1Å; F71-I76 HydrophobicContact CE1-CD1 3.83Å; F71-I76 HydrophobicContact CE1-CG1 4.03Å; F71-I76 PolarHBondContact O-N 3.33Å; F71-V84 HydrophobicContact CE2-CG1 3.93Å; F71-V84 HydrophobicContact CE2-CG2 4.22Å; F71-V84 HydrophobicContact CZ-CG2 4.4Å; F71-V117 HydrophobicContact CD2-CG2 4.41Å; F71-V117 HydrophobicContact CE2-CG2 4.25Å; F71-L125 HydrophobicContact CB-CD1 4.08Å; F71-L125 HydrophobicContact CD1-CD2 3.9Å; F71-L125 HydrophobicContact CD2-CD1 3.77Å; F71-L125 HydrophobicContact CE1-CD2 4.18Å; F71-L125 HydrophobicContact CE2-CD1 4.34Å; F71-L125 HydrophobicContact CG-CD1 3.87Å; F71-L125 HydrophobicContact CG-CD2 4.07Å; F71-Y129 AromaticContact CE1-CE2 3.72Å; F71-Y129 HydrophobicContact CE1-CE2 3.72Å; F71-Y129 AromaticContact CE1-CZ 3.85Å; F71-Y129 AromaticContact CZ-CE2 3.86Å; F71-Y129 HydrophobicContact CZ-CE2 3.86Å; F71-M140 HydrophobicContact CZ-SD 4.11Å
72	T	98.1	Very high	97.5	Very high	63 Å²	63	60.4 Å²	60.4	39%	0.387	31%	0.311	S	S	.	.	I	π-helix	trans	-60.9	-48	179.7	-60.9	0	0	0	0	111.1	N68 E69 I76 N77	N68-T72 WeakPolarHBondContact O-CB 3.42Å; N68-T72 PolarHBondContact O-N 2.88Å; N68-T72 PolarHBondContact O-OG1 2.93Å; E69-T72 PolarHBondContact O-N 3.11Å; E69-T72 VanDerWaalsContact O-N 3.12Å; T72-I76 WeakPolarHBondContact O-CB 3.29Å; T72-I76 PolarHBondContact O-N 3.4Å; T72-N77 WeakPolarHBondContact O-CB 3.23Å; T72-N77 PolarHBondContact O-N 3.41Å; T72-N77 PolarHBondContact O-ND2 2.92Å
73	E	97.6	Very high	97.6	Very high	117 Å²	117	58.4 Å²	58.4	55%	0.547	30%	0.297	S	S	.	.	I	π-helix	trans	-66.3	-40.8	-178.1	-70.8	-169.2	162.6	0	0	113	E69 F71	E69-E73 WeakPolarHBondContact O-CG 3.28Å; E69-E73 PolarHBondContact O-N 3.45Å; F71-E73 PolarHBondContact O-N 3.41Å
74	R	97.2	Very high	97.7	Very high	80 Å²	80	57.5 Å²	57.5	30%	0.302	29%	0.293	S	S	.	.	I	π-helix	trans	-105.3	-14.5	-166.6	-59.6	169.5	67.9	-172.8	5.5	114.5	F63 D70 F71 S78	F63-R74 VanDerWaalsContact CD1-NH2 3.28Å; F63-R74 HydrophobicContact CE2-CB 3.89Å; F63-R74 VanDerWaalsContact CG-CZ 3.41Å; F63-R74 HydrophobicContact CZ-CB 3.67Å; D70-R74 WeakPolarHBondContact O-CB 3.36Å; D70-R74 WeakPolarHBondContact O-CG 3.32Å; D70-R74 PolarHBondContact O-N 3.01Å; D70-R74 WeakPolarHBondContact OD1-CD 3.47Å; D70-R74 IonicContact OD1-CZ 2.66Å; D70-R74 IonicContact OD1-NE 3.91Å; D70-R74 IonicContact OD1-NH1 2.89Å; D70-R74 PolarHBondContact OD1-NH1 3.24Å; D70-R74 IonicContact OD2-NH1 3.26Å; D70-R74 PolarHBondContact OD2-NH1 3.45Å; F71-R74 PolarHBondContact O-N 3.35Å; R74-S78 WeakPolarHBondContact O-CB 3.48Å; R74-S78 PolarHBondContact O-OG 3.06Å
75	V	97.8	Very high	97.7	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.012	27%	0.272	C	S	.	.	I	π-helix	trans	-110.6	-58.6	176.7	-171.8	0	0	0	0	110.3	F63 F71 S78 V82 V84 A115 M140	F63-V75 HydrophobicContact CZ-CG2 4.37Å; F71-V75 HydrophobicContact CD1-CB 4.38Å; F71-V75 HydrophobicContact CD2-CB 4.11Å; F71-V75 HydrophobicContact CD2-CG2 3.62Å; F71-V75 HydrophobicContact CE1-CB 4.25Å; F71-V75 HydrophobicContact CE1-CG1 4.29Å; F71-V75 HydrophobicContact CE2-CB 3.98Å; F71-V75 HydrophobicContact CE2-CG1 3.96Å; F71-V75 HydrophobicContact CE2-CG2 3.71Å; F71-V75 HydrophobicContact CG-CB 4.31Å; F71-V75 HydrophobicContact CG-CG2 4.15Å; F71-V75 HydrophobicContact CZ-CB 4.05Å; F71-V75 HydrophobicContact CZ-CG1 3.79Å; F71-V75 HydrophobicContact CZ-CG2 4.31Å; F71-V75 WeakPolarHBondContact O-CA 3.31Å; F71-V75 WeakPolarHBondContact O-CB 3.42Å; F71-V75 PolarHBondContact O-N 2.95Å; V75-S78 WeakPolarHBondContact O-CB 3.42Å; V75-V82 HydrophobicContact CG1-CB 4.13Å; V75-V82 HydrophobicContact CG1-CG1 4.05Å; V75-V82 HydrophobicContact CG2-CG1 4.22Å; V75-V84 HydrophobicContact CG1-CG2 3.6Å; V75-A115 HydrophobicContact CG2-CB 3.73Å; V75-M140 HydrophobicContact CG1-CB 4.33Å; V75-M140 HydrophobicContact CG1-CG 4.43Å; V75-M140 HydrophobicContact CG1-SD 3.56Å; V75-M140 VanDerWaalsContact CG1-SD 3.56Å
76	I	98.1	Very high	97.8	Very high	40 Å²	40	53.4 Å²	53.4	21%	0.205	27%	0.271	C	S	.	.	I	π-helix	trans	-68.7	-49.7	-174.8	-55.9	-59.8	0	0	0	111.1	F71 T72 S78 Y129 M140 G143	F71-I76 HydrophobicContact CD1-CD1 4.4Å; F71-I76 HydrophobicContact CD1-CG1 4.1Å; F71-I76 HydrophobicContact CE1-CD1 3.83Å; F71-I76 HydrophobicContact CE1-CG1 4.03Å; F71-I76 PolarHBondContact O-N 3.33Å; T72-I76 WeakPolarHBondContact O-CB 3.29Å; T72-I76 PolarHBondContact O-N 3.4Å; I76-S78 VanDerWaalsContact C-N 3.26Å; I76-S78 PolarHBondContact O-N 2.92Å; I76-Y129 WeakPolarHBondContact CD1-OH 3.09Å; I76-M140 HydrophobicContact CD1-CE 3.45Å; I76-M140 VanDerWaalsContact CD1-CE 3.45Å; I76-M140 HydrophobicContact CD1-SD 4.47Å; I76-G143 PolarHBondContact O-N 3.01Å; I76-G143 VanDerWaalsContact O-N 3.14Å
77	N	97.3	Very high	97.8	Very high	109 Å²	109	47.9 Å²	47.9	58%	0.583	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	15.4	-178.1	-63.7	-31.1	0	0	0	113.4	T72	T72-N77 WeakPolarHBondContact O-CB 3.23Å; T72-N77 PolarHBondContact O-N 3.41Å; T72-N77 PolarHBondContact O-ND2 2.92Å
78	S	96.3	Very high	97.8	Very high	25 Å²	25	44.5 Å²	44.5	18%	0.175	23%	0.227	C	C	.	.			trans	-71.6	133.4	-177.3	-163.2	0	0	0	0	112.2	R74 V75 I76 L80 V82	R74-S78 WeakPolarHBondContact O-CB 3.48Å; R74-S78 PolarHBondContact O-OG 3.06Å; V75-S78 WeakPolarHBondContact O-CB 3.42Å; I76-S78 VanDerWaalsContact C-N 3.26Å; I76-S78 PolarHBondContact O-N 2.92Å; S78-L80 WeakPolarHBondContact CB-O 3.37Å; S78-L80 PolarHBondContact O-N 2.89Å; S78-L80 PolarHBondContact OG-N 2.76Å; S78-L80 PolarHBondContact OG-O 3.44Å; S78-V82 WeakPolarHBondContact OG-CG2 3.47Å
79	D	94.4	Very high	97.8	Very high	168 Å²	168	47.2 Å²	47.2	90%	0.898	24%	0.238	S	C	*	.	S	Bend	trans	-69	-19.5	169.6	-65.6	-44.2	0	0	0	112.5
80	L	95.6	Very high	97.8	Very high	70 Å²	70	48.6 Å²	48.6	37%	0.366	24%	0.238	S	C	.	.	S	Bend	trans	-102.4	153.4	179.2	-62.6	177	0	0	0	110.5	S78 V82 G110	S78-L80 WeakPolarHBondContact CB-O 3.37Å; S78-L80 PolarHBondContact O-N 2.89Å; S78-L80 PolarHBondContact OG-N 2.76Å; S78-L80 PolarHBondContact OG-O 3.44Å; L80-V82 WeakPolarHBondContact O-CG2 3.41Å; L80-G110 VanDerWaalsContact CD1-O 3.26Å; L80-G110 WeakPolarHBondContact CD1-O 3.25Å
81	P	97.6	Very high	97.8	Very high	6 Å²	6	47.7 Å²	47.7	4%	0.039	23%	0.233	C	C	.	.			trans	-59.5	140.7	162.1	-16.3	31.5	0	0	0	109.7	R111 V112 A113 M140 V165	P81-R111 WeakPolarHBondContact CD-O 3.44Å; P81-V112 HydrophobicContact CB-CG2 4.32Å; P81-V112 WeakPolarHBondContact O-CA 3.26Å; P81-V112 WeakPolarHBondContact O-CG2 3.39Å; P81-A113 PolarHBondContact O-N 3Å; P81-M140 WeakPolarHBondContact CA-O 3.49Å; P81-V165 HydrophobicContact CB-CG1 3.66Å
82	V	98.4	Very high	97.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.4	-178.6	-172.1	0	0	0	0	109.9	V75 S78 L80 V84 A113 A115 M140	V75-V82 HydrophobicContact CG1-CB 4.13Å; V75-V82 HydrophobicContact CG1-CG1 4.05Å; V75-V82 HydrophobicContact CG2-CG1 4.22Å; S78-V82 WeakPolarHBondContact OG-CG2 3.47Å; L80-V82 WeakPolarHBondContact O-CG2 3.41Å; V82-V84 HydrophobicContact CG1-CG2 4.4Å; V82-A113 CarbonylContact C-O 3.6Å; V82-A113 WeakPolarHBondContact CA-O 3.49Å; V82-A113 HydrophobicContact CG2-CB 4.35Å; V82-A115 HydrophobicContact CG1-CB 3.94Å; V82-M140 PolarHBondContact N-O 3.11Å; V82-M140 PolarHBondContact O-N 3.21Å
83	L	98.7	Very high	97.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.8	168.5	-57	-169.4	0	0	0	108.8	L101 V105 V112 A113 M114 A115 V137 A139 F161 V162 V165	L83-L101 HydrophobicContact CD1-CD1 3.85Å; L83-V105 HydrophobicContact CD1-CG2 3.89Å; L83-V112 HydrophobicContact CD1-CG2 4.45Å; L83-V112 HydrophobicContact CD2-CG2 4.49Å; L83-V112 HydrophobicContact CG-CG2 3.93Å; L83-A113 PolarHBondContact N-O 3.15Å; L83-M114 CarbonylContact O-C 3.59Å; L83-M114 VanDerWaalsContact O-CA 3.25Å; L83-M114 WeakPolarHBondContact O-CA 3.23Å; L83-A115 PolarHBondContact O-N 3.28Å; L83-V137 HydrophobicContact CB-CG1 4.31Å; L83-A139 HydrophobicContact CD2-CB 3.64Å; L83-F161 HydrophobicContact CD1-CD1 4.36Å; L83-F161 HydrophobicContact CD1-CE1 4.27Å; L83-F161 HydrophobicContact CD2-CD1 4.48Å; L83-F161 HydrophobicContact CD2-CE1 3.78Å; L83-V162 HydrophobicContact CD1-CG2 3.83Å; L83-V165 HydrophobicContact CD2-CB 4.42Å; L83-V165 HydrophobicContact CD2-CG1 4.01Å; L83-V165 HydrophobicContact CD2-CG2 4.14Å
84	V	98.8	Very high	97.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	108.6	177.6	-169.1	0	0	0	0	108.6	F71 V75 V82 F86 A115 V117 V137 I138 M140	F71-V84 HydrophobicContact CE2-CG1 3.93Å; F71-V84 HydrophobicContact CE2-CG2 4.22Å; F71-V84 HydrophobicContact CZ-CG2 4.4Å; V75-V84 HydrophobicContact CG1-CG2 3.6Å; V82-V84 HydrophobicContact CG1-CG2 4.4Å; V84-F86 HydrophobicContact CB-CD2 4.46Å; V84-F86 HydrophobicContact CB-CE2 3.96Å; V84-F86 HydrophobicContact CG1-CD2 3.89Å; V84-F86 HydrophobicContact CG1-CE1 4.48Å; V84-F86 HydrophobicContact CG1-CE2 3.38Å; V84-F86 HydrophobicContact CG1-CZ 3.73Å; V84-A115 CarbonylContact C-O 3.52Å; V84-A115 WeakPolarHBondContact CA-O 3.39Å; V84-A115 HydrophobicContact CG2-CB 4.46Å; V84-V117 HydrophobicContact CG1-CB 4.44Å; V84-V117 HydrophobicContact CG1-CG2 3.55Å; V84-V137 CarbonylContact O-C 3.51Å; V84-V137 VanDerWaalsContact O-CA 3.28Å; V84-V137 WeakPolarHBondContact O-CA 3.43Å; V84-I138 PolarHBondContact N-O 2.88Å; V84-I138 PolarHBondContact O-N 3.41Å; V84-M140 HydrophobicContact CG2-CG 4.18Å; V84-M140 HydrophobicContact CG2-SD 3.85Å
85	D	98.8	Very high	97.9	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.011	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	101.2	175.9	177.1	31.1	0	0	0	109.8	L101 M114 A115 V117 V137	D85-L101 HydrophobicContact CB-CD2 4.15Å; D85-M114 HydrophobicContact CB-CE 3.71Å; D85-A115 PolarHBondContact N-O 3.14Å; D85-V117 PolarHBondContact O-N 3.18Å; D85-V137 HydrophobicContact CB-CG2 4.49Å
86	F	98.9	Very high	97.9	Very high	1 Å²	1	51 Å²	51	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	115	171.8	-67.3	-92.9	0	0	0	109.3	V84 V117 I119 L125 Y129 V131 V134 P135 T136 I138	V84-F86 HydrophobicContact CB-CD2 4.46Å; V84-F86 HydrophobicContact CB-CE2 3.96Å; V84-F86 HydrophobicContact CG1-CD2 3.89Å; V84-F86 HydrophobicContact CG1-CE1 4.48Å; V84-F86 HydrophobicContact CG1-CE2 3.38Å; V84-F86 HydrophobicContact CG1-CZ 3.73Å; F86-V117 WeakPolarHBondContact CA-O 3.37Å; F86-V117 HydrophobicContact CD1-CB 3.76Å; F86-V117 HydrophobicContact CD1-CG1 3.66Å; F86-V117 HydrophobicContact CD1-CG2 4.49Å; F86-V117 HydrophobicContact CE1-CB 3.98Å; F86-V117 HydrophobicContact CE1-CG1 3.69Å; F86-V117 HydrophobicContact CE1-CG2 4.29Å; F86-V117 HydrophobicContact CG-CB 4.35Å; F86-I119 HydrophobicContact CB-CG2 4Å; F86-I119 HydrophobicContact CD1-CG2 4.09Å; F86-L125 HydrophobicContact CE1-CB 4.25Å; F86-Y129 HydrophobicContact CZ-CD2 4.19Å; F86-Y129 HydrophobicContact CZ-CG 4.18Å; F86-V131 HydrophobicContact CB-CG1 3.92Å; F86-V131 HydrophobicContact CB-CG2 4.28Å; F86-V131 HydrophobicContact CD1-CG2 3.91Å; F86-V131 HydrophobicContact CD2-CG2 3.74Å; F86-V131 HydrophobicContact CE1-CG2 4.09Å; F86-V131 HydrophobicContact CE2-CG2 3.94Å; F86-V131 HydrophobicContact CG-CB 4.48Å; F86-V131 HydrophobicContact CG-CG1 4.23Å; F86-V131 HydrophobicContact CG-CG2 3.71Å; F86-V131 HydrophobicContact CZ-CG2 4.11Å; F86-V134 WeakPolarHBondContact O-CG1 3.37Å; F86-P135 WeakPolarHBondContact O-CA 3.17Å; F86-T136 WeakPolarHBondContact CB-O 3.39Å; F86-T136 PolarHBondContact N-O 3.49Å; F86-T136 PolarHBondContact O-N 3.12Å; F86-I138 HydrophobicContact CD2-CD1 4.36Å; F86-I138 HydrophobicContact CD2-CG1 4.43Å; F86-I138 HydrophobicContact CE2-CB 4.47Å; F86-I138 HydrophobicContact CE2-CD1 3.77Å; F86-I138 HydrophobicContact CE2-CG1 4.14Å
87	H	98.8	Very high	98	Very high	14 Å²	14	49 Å²	49	7%	0.065	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	177.3	-174.9	73.3	71.2	0	0	0	112	C94 V117 D118 I119	H87-C94 HydrophobicContact CB-CB 4.07Å; H87-V117 PolarHBondContact N-O 3.22Å; H87-D118 IonicContact CE1-OD2 3.36Å; H87-D118 PolarHBondContact CE1-OD2 2.86Å; H87-D118 IonicContact ND1-OD2 3.52Å; H87-D118 WeakPolarHBondContact O-CA 3.36Å; H87-I119 WeakPolarHBondContact O-CG1 3.45Å; H87-I119 PolarHBondContact O-N 3.07Å
88	A	98.6	Very high	98	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.025	23%	0.229	C	C	.	.			trans	-146.8	154.9	169.1	0	0	0	0	0	110.9	W90 C91 I119 V134	A88-W90 VanDerWaalsContact C-N 3.3Å; A88-W90 HydrophobicContact CB-CD2 3.9Å; A88-W90 HydrophobicContact CB-CG 4.3Å; A88-W90 HydrophobicContact CB-CH2 4.27Å; A88-W90 HydrophobicContact CB-CZ2 3.6Å; A88-W90 PolarHBondContact O-N 3.23Å; A88-C91 HydrophobicContact CB-CB 4.23Å; A88-C91 VanDerWaalsContact O-CB 3.31Å; A88-C91 WeakPolarHBondContact O-CB 3.39Å; A88-C91 PolarHBondContact O-N 3.31Å; A88-C91 VanDerWaalsContact O-N 3.16Å; A88-I119 HydrophobicContact CB-CD1 4.39Å; A88-I119 HydrophobicContact CB-CG1 3.98Å; A88-V134 HydrophobicContact CB-CG2 4.32Å
89	Q	98.2	Very high	98.1	Very high	126 Å²	126	46.6 Å²	46.6	59%	0.589	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-32.9	-178.2	-61.4	-51.6	-53.6	0	0	113.8	C91 K95 D118	Q89-C91 VanDerWaalsContact C-N 3.28Å; Q89-K95 WeakPolarHBondContact O-CE 3.43Å; Q89-K95 PolarHBondContact O-NZ 2.82Å; Q89-D118 PolarHBondContact NE2-OD2 2.93Å
90	W	97.9	Very high	98.3	Very high	165 Å²	165	43.2 Å²	43.2	63%	0.625	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-8.1	178.8	50	-99.6	0	0	0	113.1	A88 G92 I119 D120 V134	A88-W90 VanDerWaalsContact C-N 3.3Å; A88-W90 HydrophobicContact CB-CD2 3.9Å; A88-W90 HydrophobicContact CB-CG 4.3Å; A88-W90 HydrophobicContact CB-CH2 4.27Å; A88-W90 HydrophobicContact CB-CZ2 3.6Å; A88-W90 PolarHBondContact O-N 3.23Å; W90-G92 PolarHBondContact O-N 2.86Å; W90-I119 HydrophobicContact CZ2-CD1 4.1Å; W90-D120 VanDerWaalsContact CD1-OD2 3.28Å; W90-D120 PolarHBondContact NE1-OD1 3.37Å; W90-D120 PolarHBondContact NE1-OD2 3.16Å; W90-V134 HydrophobicContact CH2-CG2 3.79Å; W90-V134 HydrophobicContact CZ2-CG2 4.46Å; W90-V134 HydrophobicContact CZ3-CG2 4.17Å
91	C	98.1	Very high	98.4	Very high	6 Å²	6	39.9 Å²	39.9	4%	0.041	20%	0.202	C	C	.	.			trans	-81.2	105.8	-177.1	172.3	0	0	0	0	111.8	A88 Q89 C94 V134	A88-C91 HydrophobicContact CB-CB 4.23Å; A88-C91 VanDerWaalsContact O-CB 3.31Å; A88-C91 WeakPolarHBondContact O-CB 3.39Å; A88-C91 PolarHBondContact O-N 3.31Å; A88-C91 VanDerWaalsContact O-N 3.16Å; Q89-C91 VanDerWaalsContact C-N 3.28Å; C91-C94 HydrophobicContact CB-CB 3.66Å; C91-C94 WeakPolarHBondContact CB-SG 3.44Å; C91-C94 WeakPolarHBondContact O-CB 3.39Å; C91-C94 PolarHBondContact O-N 3.48Å; C91-C94 WeakPolarHBondContact SG-CB 3.41Å; C91-C94 PolarHBondContact SG-N 2.89Å; C91-C94 CovalentContact SG-SG 2.04Å; C91-C94 PolarHBondContact SG-SG 2.9Å; C91-V134 HydrophobicContact CB-CG2 3.96Å
92	G	98.4	Very high	98.4	Very high	41 Å²	41	42.3 Å²	42.3	42%	0.423	21%	0.213	S	C	.	.	H	α-helix	trans	-56.3	-53.6	174.4	0	0	0	0	0	113.8	W90 C94 K95	W90-G92 PolarHBondContact O-N 2.86Å; G92-C94 PolarHBondContact O-N 2.94Å; G92-K95 WeakPolarHBondContact O-CB 3.44Å; G92-K95 PolarHBondContact O-N 3.16Å; G92-K95 VanDerWaalsContact O-N 3.11Å
93	P	98.5	Very high	98.3	Very high	62 Å²	62	47.6 Å²	47.6	40%	0.403	24%	0.236	S	C	.	.	H	α-helix	trans	-54.6	-35.2	176.7	-32.6	40	0	0	0	114.9	K95 I96 L97 P135 I152	P93-K95 VanDerWaalsContact C-N 3.29Å; P93-K95 PolarHBondContact O-N 2.79Å; P93-I96 PolarHBondContact O-N 2.96Å; P93-I96 VanDerWaalsContact O-N 3.1Å; P93-L97 PolarHBondContact O-N 2.85Å; P93-P135 HydrophobicContact CB-CG 4.5Å; P93-I152 HydrophobicContact CB-CD1 3.81Å; P93-I152 HydrophobicContact CB-CG1 3.92Å
94	C	98.7	Very high	98.3	Very high	10 Å²	10	47.7 Å²	47.7	7%	0.068	24%	0.236	C	C	.	.	H	α-helix	trans	-63.6	-35.7	179.8	-56.6	0	0	0	0	111.6	H87 C91 G92 I96 L97 G98	H87-C94 HydrophobicContact CB-CB 4.07Å; C91-C94 HydrophobicContact CB-CB 3.66Å; C91-C94 WeakPolarHBondContact CB-SG 3.44Å; C91-C94 WeakPolarHBondContact O-CB 3.39Å; C91-C94 PolarHBondContact O-N 3.48Å; C91-C94 WeakPolarHBondContact SG-CB 3.41Å; C91-C94 PolarHBondContact SG-N 2.89Å; C91-C94 CovalentContact SG-SG 2.04Å; C91-C94 PolarHBondContact SG-SG 2.9Å; G92-C94 PolarHBondContact O-N 2.94Å; C94-I96 PolarHBondContact O-N 3.41Å; C94-L97 PolarHBondContact O-N 2.93Å; C94-G98 PolarHBondContact O-N 3.21Å
95	K	98.3	Very high	98.2	Very high	141 Å²	141	47.7 Å²	47.7	61%	0.613	24%	0.237	S	C	*	.	H	α-helix	trans	-65.1	-20.1	176.5	-62.7	175.4	-177.7	174.9	0	113.2	Q89 G92 P93 P99	Q89-K95 WeakPolarHBondContact O-CE 3.43Å; Q89-K95 PolarHBondContact O-NZ 2.82Å; G92-K95 WeakPolarHBondContact O-CB 3.44Å; G92-K95 PolarHBondContact O-N 3.16Å; G92-K95 VanDerWaalsContact O-N 3.11Å; P93-K95 VanDerWaalsContact C-N 3.29Å; P93-K95 PolarHBondContact O-N 2.79Å; K95-P99 WeakPolarHBondContact O-CD 3.44Å
96	I	98.3	Very high	98	Very high	81 Å²	81	50.4 Å²	50.4	42%	0.415	26%	0.259	S	S	.	.	H	α-helix	trans	-90.5	-46.8	174.3	-59.2	172.9	0	0	0	110.3	P93 C94 R100 I152	P93-I96 PolarHBondContact O-N 2.96Å; P93-I96 VanDerWaalsContact O-N 3.1Å; C94-I96 PolarHBondContact O-N 3.41Å; I96-R100 WeakPolarHBondContact O-CG 3.09Å; I96-I152 HydrophobicContact CB-CD1 4.48Å; I96-I152 HydrophobicContact CD1-CD1 4.33Å
97	L	98.7	Very high	97.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.4	-47	-175.5	-176.5	68.3	0	0	0	112.3	P93 C94 R100 L101 P135 V137 F149 L158	P93-L97 PolarHBondContact O-N 2.85Å; C94-L97 PolarHBondContact O-N 2.93Å; L97-R100 PolarHBondContact O-N 3.38Å; L97-L101 PolarHBondContact O-N 3.33Å; L97-P135 HydrophobicContact CB-CG 4.39Å; L97-P135 HydrophobicContact CD2-CB 3.49Å; L97-P135 VanDerWaalsContact CD2-CB 3.49Å; L97-P135 HydrophobicContact CD2-CG 3.6Å; L97-V137 HydrophobicContact CD2-CG2 3.98Å; L97-F149 HydrophobicContact CD1-CE2 4.38Å; L97-F149 HydrophobicContact CD2-CE2 4.06Å; L97-L158 HydrophobicContact CD1-CD1 4.29Å; L97-L158 HydrophobicContact CD1-CD2 4.06Å
98	G	98.1	Very high	97.6	Very high	5 Å²	5	54.6 Å²	54.6	5%	0.052	28%	0.277	C	S	.	.	H	α-helix	trans	-51.3	-56.8	-173.7	0	0	0	0	0	113.2	C94 R100 L101 E102	C94-G98 PolarHBondContact O-N 3.21Å; G98-R100 VanDerWaalsContact C-N 3.29Å; G98-R100 PolarHBondContact O-N 3.49Å; G98-L101 PolarHBondContact O-N 2.98Å; G98-E102 WeakPolarHBondContact O-CB 3.46Å; G98-E102 WeakPolarHBondContact O-CG 3.38Å; G98-E102 PolarHBondContact O-N 3.44Å
99	P	97.9	Very high	97.3	Very high	77 Å²	77	63.4 Å²	63.4	50%	0.5	32%	0.315	S	S	.	.	H	α-helix	trans	-61.9	-32	178.6	-25.3	35.1	0	0	0	114.3	K95 K103	K95-P99 WeakPolarHBondContact O-CD 3.44Å; P99-K103 WeakPolarHBondContact O-CB 3.28Å; P99-K103 PolarHBondContact O-N 3.38Å
100	R	98.1	Very high	97.1	Very high	97 Å²	97	58.9 Å²	58.9	37%	0.366	30%	0.303	S	S	.	.	H	α-helix	trans	-71.6	-42.6	177	-67.8	-178.4	-177.9	-169.3	-3.1	111.4	I96 L97 G98 K103 A104 L158	I96-R100 WeakPolarHBondContact O-CG 3.09Å; L97-R100 PolarHBondContact O-N 3.38Å; G98-R100 VanDerWaalsContact C-N 3.29Å; G98-R100 PolarHBondContact O-N 3.49Å; R100-K103 WeakPolarHBondContact O-CB 3.39Å; R100-K103 PolarHBondContact O-N 2.87Å; R100-A104 PolarHBondContact O-N 3.23Å; R100-L158 HydrophobicContact CB-CD1 3.56Å
101	L	98.4	Very high	96.9	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.5	-44.2	176.8	-176	63.1	0	0	0	110.9	L83 D85 L97 G98 K103 A104 V105 M114 V137 L158	L83-L101 HydrophobicContact CD1-CD1 3.85Å; D85-L101 HydrophobicContact CB-CD2 4.15Å; L97-L101 PolarHBondContact O-N 3.33Å; G98-L101 PolarHBondContact O-N 2.98Å; L101-K103 VanDerWaalsContact C-N 3.3Å; L101-K103 PolarHBondContact O-N 2.91Å; L101-A104 PolarHBondContact O-N 3.07Å; L101-A104 VanDerWaalsContact O-N 3.15Å; L101-V105 WeakPolarHBondContact O-CB 3.38Å; L101-V105 WeakPolarHBondContact O-CG2 3.31Å; L101-V105 PolarHBondContact O-N 3.17Å; L101-M114 HydrophobicContact CB-CE 4.26Å; L101-M114 HydrophobicContact CB-SD 4.34Å; L101-M114 HydrophobicContact CD2-CE 3.74Å; L101-M114 HydrophobicContact CD2-SD 4.03Å; L101-M114 HydrophobicContact CG-CE 4.06Å; L101-M114 HydrophobicContact CG-SD 3.85Å; L101-V137 HydrophobicContact CD2-CG1 4.02Å; L101-V137 HydrophobicContact CD2-CG2 3.77Å; L101-L158 HydrophobicContact CD1-CD2 3.92Å
102	E	97.9	Very high	96.8	Very high	58 Å²	58	55.7 Å²	55.7	27%	0.271	29%	0.29	S	S	.	.	H	α-helix	trans	-56.4	-43.6	173.5	-74.9	174.7	-173.3	0	0	111.4	G98 V105 A106 M114 K116	G98-E102 WeakPolarHBondContact O-CB 3.46Å; G98-E102 WeakPolarHBondContact O-CG 3.38Å; G98-E102 PolarHBondContact O-N 3.44Å; E102-V105 PolarHBondContact O-N 3.39Å; E102-A106 VanDerWaalsContact O-CB 3.31Å; E102-A106 WeakPolarHBondContact O-CB 3.41Å; E102-A106 PolarHBondContact O-N 3.15Å; E102-M114 HydrophobicContact CB-SD 4.39Å; E102-M114 HydrophobicContact CG-CE 3.87Å; E102-M114 HydrophobicContact CG-SD 3.62Å; E102-K116 IonicContact OE1-NZ 3.74Å; E102-K116 PolarHBondContact OE1-NZ 2.89Å
103	K	96.8	Very high	96.8	Very high	110 Å²	110	54.3 Å²	54.3	48%	0.478	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-45.6	175	179.1	-171.1	171.9	-160.2	0	112.1	P99 R100 L101 A106 K107 D155	P99-K103 WeakPolarHBondContact O-CB 3.28Å; P99-K103 PolarHBondContact O-N 3.38Å; R100-K103 WeakPolarHBondContact O-CB 3.39Å; R100-K103 PolarHBondContact O-N 2.87Å; L101-K103 VanDerWaalsContact C-N 3.3Å; L101-K103 PolarHBondContact O-N 2.91Å; K103-A106 PolarHBondContact O-N 3.37Å; K103-K107 WeakPolarHBondContact O-CG 3.28Å; K103-K107 PolarHBondContact O-N 3.04Å; K103-D155 IonicContact NZ-OD2 2.78Å; K103-D155 PolarHBondContact NZ-OD2 3.13Å
104	A	96.9	Very high	96.8	Very high	2 Å²	2	51.4 Å²	51.4	2%	0.017	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-41.6	179	0	0	0	0	0	111.9	R100 L101 K107 L158 V162	R100-A104 PolarHBondContact O-N 3.23Å; L101-A104 PolarHBondContact O-N 3.07Å; L101-A104 VanDerWaalsContact O-N 3.15Å; A104-K107 WeakPolarHBondContact O-CB 3.25Å; A104-K107 PolarHBondContact O-N 2.87Å; A104-L158 HydrophobicContact CB-CB 4.12Å; A104-V162 HydrophobicContact CB-CG2 4.08Å
105	V	97.1	Very high	96.8	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-44.4	174.8	162.6	0	0	0	0	111.5	V61 L83 L101 E102 K107 Q108 V112 M114	V61-V105 HydrophobicContact CB-CG1 4.25Å; V61-V105 HydrophobicContact CG1-CG1 3.28Å; L83-V105 HydrophobicContact CD1-CG2 3.89Å; L101-V105 WeakPolarHBondContact O-CB 3.38Å; L101-V105 WeakPolarHBondContact O-CG2 3.31Å; L101-V105 PolarHBondContact O-N 3.17Å; E102-V105 PolarHBondContact O-N 3.39Å; V105-K107 VanDerWaalsContact C-N 3.27Å; V105-K107 PolarHBondContact O-N 3.29Å; V105-Q108 WeakPolarHBondContact O-CB 3.35Å; V105-Q108 PolarHBondContact O-N 2.97Å; V105-V112 HydrophobicContact CB-CG1 4.41Å; V105-V112 HydrophobicContact CG1-CG1 4.13Å; V105-V112 HydrophobicContact CG2-CG1 4.27Å; V105-M114 HydrophobicContact CG1-CB 4.18Å; V105-M114 HydrophobicContact CG2-CB 4.26Å
106	A	95.2	Very high	96.8	Very high	58 Å²	58	46.2 Å²	46.2	48%	0.479	23%	0.232	S	C	.	.	H	α-helix	trans	-60.5	-34	179.2	0	0	0	0	0	113.1	E102 K103 Q108 K109	E102-A106 VanDerWaalsContact O-CB 3.31Å; E102-A106 WeakPolarHBondContact O-CB 3.41Å; E102-A106 PolarHBondContact O-N 3.15Å; K103-A106 PolarHBondContact O-N 3.37Å; A106-Q108 PolarHBondContact O-N 3.28Å; A106-Q108 VanDerWaalsContact O-N 3.15Å; A106-K109 PolarHBondContact O-N 2.85Å; A106-K109 VanDerWaalsContact O-N 3.16Å
107	K	94.6	Very high	96.8	Very high	91 Å²	91	42.4 Å²	42.4	40%	0.396	21%	0.212	S	C	.	.	H	α-helix	trans	-58	-26.4	174.8	-68.6	170.7	-172.4	168.3	0	112.7	K103 A104 V105 K109 D159	K103-K107 WeakPolarHBondContact O-CG 3.28Å; K103-K107 PolarHBondContact O-N 3.04Å; A104-K107 WeakPolarHBondContact O-CB 3.25Å; A104-K107 PolarHBondContact O-N 2.87Å; V105-K107 VanDerWaalsContact C-N 3.27Å; V105-K107 PolarHBondContact O-N 3.29Å; K107-K109 VanDerWaalsContact C-N 3.28Å; K107-K109 PolarHBondContact O-N 2.9Å; K107-D159 IonicContact NZ-OD1 3.72Å; K107-D159 PolarHBondContact NZ-OD1 2.94Å; K107-D159 IonicContact NZ-OD2 2.89Å; K107-D159 PolarHBondContact NZ-OD2 3.33Å
108	Q	94.5	Very high	96.8	Very high	13 Å²	13	43 Å²	43	6%	0.061	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-0.9	-177.2	-53.4	-52.1	-30.7	0	0	114.3	V105 A106 G110 R111 V112 V162	V105-Q108 WeakPolarHBondContact O-CB 3.35Å; V105-Q108 PolarHBondContact O-N 2.97Å; A106-Q108 PolarHBondContact O-N 3.28Å; A106-Q108 VanDerWaalsContact O-N 3.15Å; Q108-G110 VanDerWaalsContact C-N 3.31Å; Q108-G110 PolarHBondContact O-N 3.21Å; Q108-R111 HydrophobicContact CB-CB 4.31Å; Q108-R111 WeakPolarHBondContact O-CB 3.44Å; Q108-R111 WeakPolarHBondContact O-CD 3.39Å; Q108-R111 VanDerWaalsContact O-CG 3.25Å; Q108-R111 WeakPolarHBondContact O-CG 3.38Å; Q108-R111 PolarHBondContact O-N 2.94Å; Q108-V112 HydrophobicContact CB-CG1 3.77Å; Q108-V112 HydrophobicContact CG-CG1 3.81Å; Q108-V162 HydrophobicContact CG-CG1 3.36Å
109	K	92.6	Very high	96.9	Very high	187 Å²	187	44.2 Å²	44.2	81%	0.813	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	44.9	170.5	-56.9	178.5	-177.5	179.6	0	113.4	A106 K107	A106-K109 PolarHBondContact O-N 2.85Å; A106-K109 VanDerWaalsContact O-N 3.16Å; K107-K109 VanDerWaalsContact C-N 3.28Å; K107-K109 PolarHBondContact O-N 2.9Å
110	G	93.3	Very high	96.9	Very high	32 Å²	32	44.7 Å²	44.7	33%	0.33	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	13.8	175.6	0	0	0	0	0	115.5	L80 Q108 V112	L80-G110 VanDerWaalsContact CD1-O 3.26Å; L80-G110 WeakPolarHBondContact CD1-O 3.25Å; Q108-G110 VanDerWaalsContact C-N 3.31Å; Q108-G110 PolarHBondContact O-N 3.21Å; G110-V112 VanDerWaalsContact C-N 3.33Å
111	R	94.8	Very high	96.9	Very high	104 Å²	104	46 Å²	46	39%	0.392	23%	0.233	S	C	.	.	S	Bend	trans	-84.6	-7.4	173.6	-64	173	64	-149.5	1.3	114.3	P81 Q108	P81-R111 WeakPolarHBondContact CD-O 3.44Å; Q108-R111 HydrophobicContact CB-CB 4.31Å; Q108-R111 WeakPolarHBondContact O-CB 3.44Å; Q108-R111 WeakPolarHBondContact O-CD 3.39Å; Q108-R111 VanDerWaalsContact O-CG 3.25Å; Q108-R111 WeakPolarHBondContact O-CG 3.38Å; Q108-R111 PolarHBondContact O-N 2.94Å
112	V	96.7	Very high	96.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-148.8	144.2	176.7	62.2	0	0	0	0	106.8	V61 P81 L83 V105 Q108 G110 V162 I166	V61-V112 WeakPolarHBondContact CG1-O 3.49Å; P81-V112 HydrophobicContact CB-CG2 4.32Å; P81-V112 WeakPolarHBondContact O-CA 3.26Å; P81-V112 WeakPolarHBondContact O-CG2 3.39Å; L83-V112 HydrophobicContact CD1-CG2 4.45Å; L83-V112 HydrophobicContact CD2-CG2 4.49Å; L83-V112 HydrophobicContact CG-CG2 3.93Å; V105-V112 HydrophobicContact CB-CG1 4.41Å; V105-V112 HydrophobicContact CG1-CG1 4.13Å; V105-V112 HydrophobicContact CG2-CG1 4.27Å; Q108-V112 HydrophobicContact CB-CG1 3.77Å; Q108-V112 HydrophobicContact CG-CG1 3.81Å; G110-V112 VanDerWaalsContact C-N 3.33Å; V112-V162 HydrophobicContact CG1-CG1 4.03Å; V112-I166 HydrophobicContact CB-CG2 3.89Å; V112-I166 HydrophobicContact CG1-CG2 4.42Å
113	A	97.5	Very high	96.9	Very high	12 Å²	12	47.8 Å²	47.8	10%	0.099	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	164.2	173	0	0	0	0	0	110.6	V61 F63 P81 V82 L83	V61-A113 CarbonylContact O-C 3.53Å; V61-A113 WeakPolarHBondContact O-CA 3.36Å; F63-A113 HydrophobicContact CE1-CB 4.33Å; P81-A113 PolarHBondContact O-N 3Å; V82-A113 CarbonylContact C-O 3.6Å; V82-A113 WeakPolarHBondContact CA-O 3.49Å; V82-A113 HydrophobicContact CG2-CB 4.35Å; L83-A113 PolarHBondContact N-O 3.15Å
114	M	98.2	Very high	97	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123	177	178.6	175.7	168.9	0	0	109.9	V61 S62 F63 L83 D85 L101 E102 V105 K116	V61-M114 PolarHBondContact O-N 2.78Å; S62-M114 CarbonylContact C-O 3.49Å; S62-M114 VanDerWaalsContact CA-O 3.26Å; S62-M114 WeakPolarHBondContact CA-O 3.48Å; F63-M114 VanDerWaalsContact CD1-O 3.28Å; F63-M114 WeakPolarHBondContact CD1-O 3.26Å; F63-M114 PolarHBondContact N-O 2.94Å; L83-M114 CarbonylContact O-C 3.59Å; L83-M114 VanDerWaalsContact O-CA 3.25Å; L83-M114 WeakPolarHBondContact O-CA 3.23Å; D85-M114 HydrophobicContact CB-CE 3.71Å; L101-M114 HydrophobicContact CB-CE 4.26Å; L101-M114 HydrophobicContact CB-SD 4.34Å; L101-M114 HydrophobicContact CD2-CE 3.74Å; L101-M114 HydrophobicContact CD2-SD 4.03Å; L101-M114 HydrophobicContact CG-CE 4.06Å; L101-M114 HydrophobicContact CG-SD 3.85Å; E102-M114 HydrophobicContact CB-SD 4.39Å; E102-M114 HydrophobicContact CG-CE 3.87Å; E102-M114 HydrophobicContact CG-SD 3.62Å; V105-M114 HydrophobicContact CG1-CB 4.18Å; V105-M114 HydrophobicContact CG2-CB 4.26Å; M114-K116 HydrophobicContact CE-CD 4.25Å; M114-K116 HydrophobicContact CE-CG 3.88Å
115	A	98.6	Very high	97.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.1	172.3	0	0	0	0	0	108.7	F63 V65 V75 V82 L83 V84 D85	F63-A115 HydrophobicContact CD2-CB 4.31Å; F63-A115 HydrophobicContact CE1-CB 4.45Å; F63-A115 HydrophobicContact CE2-CB 3.64Å; F63-A115 HydrophobicContact CZ-CB 3.71Å; F63-A115 CarbonylContact O-C 3.54Å; F63-A115 WeakPolarHBondContact O-CA 3.28Å; V65-A115 HydrophobicContact CG2-CB 3.97Å; V75-A115 HydrophobicContact CG2-CB 3.73Å; V82-A115 HydrophobicContact CG1-CB 3.94Å; L83-A115 PolarHBondContact O-N 3.28Å; V84-A115 CarbonylContact C-O 3.52Å; V84-A115 WeakPolarHBondContact CA-O 3.39Å; V84-A115 HydrophobicContact CG2-CB 4.46Å; D85-A115 PolarHBondContact N-O 3.14Å
116	K	98.8	Very high	97.1	Very high	43 Å²	43	46.4 Å²	46.4	19%	0.187	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.5	178	-63.3	173.2	70.6	168.8	0	107.9	F63 V65 E102 M114	F63-K116 PolarHBondContact O-N 3.37Å; V65-K116 PolarHBondContact N-O 2.83Å; E102-K116 IonicContact OE1-NZ 3.74Å; E102-K116 PolarHBondContact OE1-NZ 2.89Å; M114-K116 HydrophobicContact CE-CD 4.25Å; M114-K116 HydrophobicContact CE-CG 3.88Å
117	V	98.9	Very high	97.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112.9	-177.9	-179.1	0	0	0	0	107.6	V65 F71 V84 D85 F86 H87 H122 L125	V65-V117 HydrophobicContact CB-CG2 4.14Å; V65-V117 HydrophobicContact CG2-CG2 3.7Å; F71-V117 HydrophobicContact CD2-CG2 4.41Å; F71-V117 HydrophobicContact CE2-CG2 4.25Å; V84-V117 HydrophobicContact CG1-CB 4.44Å; V84-V117 HydrophobicContact CG1-CG2 3.55Å; D85-V117 PolarHBondContact O-N 3.18Å; F86-V117 WeakPolarHBondContact CA-O 3.37Å; F86-V117 HydrophobicContact CD1-CB 3.76Å; F86-V117 HydrophobicContact CD1-CG1 3.66Å; F86-V117 HydrophobicContact CD1-CG2 4.49Å; F86-V117 HydrophobicContact CE1-CB 3.98Å; F86-V117 HydrophobicContact CE1-CG1 3.69Å; F86-V117 HydrophobicContact CE1-CG2 4.29Å; F86-V117 HydrophobicContact CG-CB 4.35Å; H87-V117 PolarHBondContact N-O 3.22Å; V117-H122 HydrophobicContact CG1-CB 3.71Å; V117-L125 HydrophobicContact CG1-CB 4.43Å; V117-L125 HydrophobicContact CG1-CD1 4.26Å
118	D	98.8	Very high	97.5	Very high	12 Å²	12	51.7 Å²	51.7	6%	0.064	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	121.1	168.7	-156.9	-49.6	0	0	0	108.8	H87 Q89 D120 D121 H122	H87-D118 IonicContact CE1-OD2 3.36Å; H87-D118 PolarHBondContact CE1-OD2 2.86Å; H87-D118 IonicContact ND1-OD2 3.52Å; H87-D118 WeakPolarHBondContact O-CA 3.36Å; Q89-D118 PolarHBondContact NE2-OD2 2.93Å; D118-D120 PolarHBondContact O-N 2.85Å; D118-D120 PolarHBondContact OD1-N 3.28Å; D118-D120 VanDerWaalsContact OD1-N 3.13Å; D118-D121 HydrophobicContact CB-CB 4.35Å; D118-D121 PolarHBondContact O-N 3.32Å; D118-H122 WeakPolarHBondContact O-CB 3.26Å; D118-H122 PolarHBondContact O-CD2 3.3Å; D118-H122 PolarHBondContact O-N 3.34Å
119	I	98.6	Very high	97.6	Very high	32 Å²	32	52.6 Å²	52.6	16%	0.164	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-21.2	-175.7	61.4	158.6	0	0	0	112.9	F86 H87 A88 W90 T123 A126 V131 V134	F86-I119 HydrophobicContact CB-CG2 4Å; F86-I119 HydrophobicContact CD1-CG2 4.09Å; H87-I119 WeakPolarHBondContact O-CG1 3.45Å; H87-I119 PolarHBondContact O-N 3.07Å; A88-I119 HydrophobicContact CB-CD1 4.39Å; A88-I119 HydrophobicContact CB-CG1 3.98Å; W90-I119 HydrophobicContact CZ2-CD1 4.1Å; I119-T123 WeakPolarHBondContact O-CA 3.49Å; I119-T123 PolarHBondContact O-N 2.78Å; I119-T123 PolarHBondContact O-OG1 3.19Å; I119-T123 VanDerWaalsContact O-OG1 3.07Å; I119-A126 HydrophobicContact CB-CB 4.23Å; I119-A126 HydrophobicContact CG2-CB 4.02Å; I119-V131 HydrophobicContact CG2-CG1 4.45Å; I119-V134 HydrophobicContact CD1-CG1 3.64Å; I119-V134 HydrophobicContact CD1-CG2 4.34Å; I119-V134 HydrophobicContact CG1-CG1 4.07Å; I119-V134 HydrophobicContact CG2-CG1 3.83Å
120	D	98.1	Very high	97.9	Very high	86 Å²	86	46.1 Å²	46.1	46%	0.46	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-33.6	177.5	-65.5	-31.3	0	0	0	110.4	W90 D118	W90-D120 VanDerWaalsContact CD1-OD2 3.28Å; W90-D120 PolarHBondContact NE1-OD1 3.37Å; W90-D120 PolarHBondContact NE1-OD2 3.16Å; D118-D120 PolarHBondContact O-N 2.85Å; D118-D120 PolarHBondContact OD1-N 3.28Å; D118-D120 VanDerWaalsContact OD1-N 3.13Å
121	D	98.4	Very high	98.2	Very high	126 Å²	126	45.6 Å²	45.6	67%	0.674	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-27.4	178.1	-64.7	-29.8	0	0	0	112.6	D118	D118-D121 HydrophobicContact CB-CB 4.35Å; D118-D121 PolarHBondContact O-N 3.32Å
122	H	98.6	Very high	98.3	Very high	17 Å²	17	46.5 Å²	46.5	8%	0.079	27%	0.266	C	S	.	.			trans	-127.5	56.2	-174.9	-54.8	-65	0	0	0	112.4	V65 Q66 V117 D118 D124 L125 A126	V65-H122 PolarHBondContact O-NE2 2.75Å; V65-H122 VanDerWaalsContact O-NE2 3.17Å; Q66-H122 PolarHBondContact O-CE1 2.91Å; Q66-H122 VanDerWaalsContact O-CE1 3.31Å; V117-H122 HydrophobicContact CG1-CB 3.71Å; D118-H122 WeakPolarHBondContact O-CB 3.26Å; D118-H122 PolarHBondContact O-CD2 3.3Å; D118-H122 PolarHBondContact O-N 3.34Å; H122-D124 VanDerWaalsContact C-N 3.26Å; H122-D124 PolarHBondContact O-N 2.92Å; H122-L125 HydrophobicContact CB-CB 4.23Å; H122-L125 HydrophobicContact CB-CD1 4.02Å; H122-L125 HydrophobicContact CB-CG 4.33Å; H122-L125 PolarHBondContact O-N 3.05Å; H122-A126 PolarHBondContact O-N 3.46Å; H122-A126 VanDerWaalsContact O-N 3.13Å
123	T	98.2	Very high	98.3	Very high	77 Å²	77	48.7 Å²	48.7	47%	0.472	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-32.4	-177.9	-53.4	0	0	0	0	113	I119 A126 I127	I119-T123 WeakPolarHBondContact O-CA 3.49Å; I119-T123 PolarHBondContact O-N 2.78Å; I119-T123 PolarHBondContact O-OG1 3.19Å; I119-T123 VanDerWaalsContact O-OG1 3.07Å; T123-A126 PolarHBondContact O-N 2.65Å; T123-I127 HydrophobicContact CG2-CD1 4.04Å; T123-I127 VanDerWaalsContact O-CG1 3.29Å; T123-I127 WeakPolarHBondContact O-CG1 3.32Å; T123-I127 PolarHBondContact O-N 2.87Å
124	D	98.4	Very high	98.4	Very high	75 Å²	75	49.4 Å²	49.4	40%	0.401	29%	0.287	S	S	.	.	H	α-helix	trans	-60.9	-48.5	174.6	54.5	-17.8	0	0	0	112.3	N68 H122 A126 I127 E128	N68-D124 PolarHBondContact ND2-OD2 3.38Å; N68-D124 PolarHBondContact OD1-OD2 2.92Å; H122-D124 VanDerWaalsContact C-N 3.26Å; H122-D124 PolarHBondContact O-N 2.92Å; D124-A126 VanDerWaalsContact C-N 3.31Å; D124-A126 PolarHBondContact O-N 3.23Å; D124-I127 PolarHBondContact O-N 3.2Å; D124-E128 WeakPolarHBondContact O-CB 3.39Å; D124-E128 PolarHBondContact O-N 3.03Å
125	L	98.6	Very high	98.4	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-61.4	-40.9	173.9	-67.4	-179.9	0	0	0	111.3	V65 N68 F71 F86 V117 H122 I127 E128 Y129	V65-L125 HydrophobicContact CG1-CD1 4.22Å; N68-L125 WeakPolarHBondContact OD1-CD2 3.4Å; F71-L125 HydrophobicContact CB-CD1 4.08Å; F71-L125 HydrophobicContact CD1-CD2 3.9Å; F71-L125 HydrophobicContact CD2-CD1 3.77Å; F71-L125 HydrophobicContact CE1-CD2 4.18Å; F71-L125 HydrophobicContact CE2-CD1 4.34Å; F71-L125 HydrophobicContact CG-CD1 3.87Å; F71-L125 HydrophobicContact CG-CD2 4.07Å; F86-L125 HydrophobicContact CE1-CB 4.25Å; V117-L125 HydrophobicContact CG1-CB 4.43Å; V117-L125 HydrophobicContact CG1-CD1 4.26Å; H122-L125 HydrophobicContact CB-CB 4.23Å; H122-L125 HydrophobicContact CB-CD1 4.02Å; H122-L125 HydrophobicContact CB-CG 4.33Å; H122-L125 PolarHBondContact O-N 3.05Å; L125-I127 VanDerWaalsContact C-N 3.32Å; L125-I127 PolarHBondContact O-N 3.1Å; L125-E128 PolarHBondContact O-N 2.04Å; L125-Y129 HydrophobicContact CD2-CE2 4.43Å; L125-Y129 VanDerWaalsContact O-CD2 3.32Å; L125-Y129 WeakPolarHBondContact O-CD2 2.97Å; L125-Y129 PolarHBondContact O-N 3.19Å; L125-Y129 VanDerWaalsContact O-N 3.1Å
126	A	98.4	Very high	98.4	Very high	8 Å²	8	49.7 Å²	49.7	7%	0.066	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-41.7	176.4	0	0	0	0	0	111.9	I119 H122 T123 D124 G130 V131	I119-A126 HydrophobicContact CB-CB 4.23Å; I119-A126 HydrophobicContact CG2-CB 4.02Å; H122-A126 PolarHBondContact O-N 3.46Å; H122-A126 VanDerWaalsContact O-N 3.13Å; T123-A126 PolarHBondContact O-N 2.65Å; D124-A126 VanDerWaalsContact C-N 3.31Å; D124-A126 PolarHBondContact O-N 3.23Å; A126-G130 PolarHBondContact O-N 3.23Å; A126-V131 HydrophobicContact CB-CB 4.19Å; A126-V131 WeakPolarHBondContact O-CB 3.49Å; A126-V131 PolarHBondContact O-N 3.03Å
127	I	98.4	Very high	98.4	Very high	128 Å²	128	47.7 Å²	47.7	66%	0.656	28%	0.28	S	S	*	.	H	α-helix	trans	-66.4	-49	176.7	-69.7	165.1	0	0	0	110.9	T123 D124 L125 Y129 G130	T123-I127 HydrophobicContact CG2-CD1 4.04Å; T123-I127 VanDerWaalsContact O-CG1 3.29Å; T123-I127 WeakPolarHBondContact O-CG1 3.32Å; T123-I127 PolarHBondContact O-N 2.87Å; D124-I127 PolarHBondContact O-N 3.2Å; L125-I127 VanDerWaalsContact C-N 3.32Å; L125-I127 PolarHBondContact O-N 3.1Å; I127-Y129 VanDerWaalsContact C-N 3.28Å; I127-Y129 PolarHBondContact O-N 3.39Å; I127-G130 PolarHBondContact O-N 2.89Å; I127-G130 VanDerWaalsContact O-N 3.07Å
128	E	98.3	Very high	98.4	Very high	132 Å²	132	47.7 Å²	47.7	62%	0.617	28%	0.28	S	S	*	.	H	α-helix	trans	-56.3	-42.9	-177.7	-174.7	-179.8	155.4	0	0	111.9	D124 L125 G130	D124-E128 WeakPolarHBondContact O-CB 3.39Å; D124-E128 PolarHBondContact O-N 3.03Å; L125-E128 PolarHBondContact O-N 2.04Å; E128-G130 VanDerWaalsContact C-N 3.33Å; E128-G130 PolarHBondContact O-N 2.79Å
129	Y	98.4	Very high	98.4	Very high	33 Å²	33	47.1 Å²	47.1	13%	0.129	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	8.1	-178.8	-71.5	-84.9	0	0	0	114.3	F71 I76 F86 L125 I127 V131 I138 M140 V145 R148	F71-Y129 AromaticContact CE1-CE2 3.72Å; F71-Y129 HydrophobicContact CE1-CE2 3.72Å; F71-Y129 AromaticContact CE1-CZ 3.85Å; F71-Y129 AromaticContact CZ-CE2 3.86Å; F71-Y129 HydrophobicContact CZ-CE2 3.86Å; I76-Y129 WeakPolarHBondContact CD1-OH 3.09Å; F86-Y129 HydrophobicContact CZ-CD2 4.19Å; F86-Y129 HydrophobicContact CZ-CG 4.18Å; L125-Y129 HydrophobicContact CD2-CE2 4.43Å; L125-Y129 VanDerWaalsContact O-CD2 3.32Å; L125-Y129 WeakPolarHBondContact O-CD2 2.97Å; L125-Y129 PolarHBondContact O-N 3.19Å; L125-Y129 VanDerWaalsContact O-N 3.1Å; I127-Y129 VanDerWaalsContact C-N 3.28Å; I127-Y129 PolarHBondContact O-N 3.39Å; Y129-V131 PolarHBondContact O-N 3.36Å; Y129-I138 HydrophobicContact CD1-CD1 4.22Å; Y129-I138 HydrophobicContact CG-CD1 4.32Å; Y129-M140 HydrophobicContact CE1-CE 3.57Å; Y129-M140 HydrophobicContact CE1-SD 3.88Å; Y129-V145 HydrophobicContact CD1-CG2 4.1Å; Y129-V145 HydrophobicContact CE1-CG2 4.06Å; Y129-R148 PolarHBondContact O-NH1 3.41Å
130	G	98.1	Very high	98.4	Very high	51 Å²	51	45.6 Å²	45.6	53%	0.526	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	40.3	176.7	0	0	0	0	0	113.1	A126 I127 E128 S132	A126-G130 PolarHBondContact O-N 3.23Å; I127-G130 PolarHBondContact O-N 2.89Å; I127-G130 VanDerWaalsContact O-N 3.07Å; E128-G130 VanDerWaalsContact C-N 3.33Å; E128-G130 PolarHBondContact O-N 2.79Å; G130-S132 PolarHBondContact O-N 3.49Å
131	V	98.5	Very high	98.3	Very high	20 Å²	20	46.6 Å²	46.6	12%	0.121	27%	0.267	C	S	.	.			trans	-85.1	100.9	178.3	-179.7	0	0	0	0	109.2	F86 I119 A126 Y129 V134 T136 I138	F86-V131 HydrophobicContact CB-CG1 3.92Å; F86-V131 HydrophobicContact CB-CG2 4.28Å; F86-V131 HydrophobicContact CD1-CG2 3.91Å; F86-V131 HydrophobicContact CD2-CG2 3.74Å; F86-V131 HydrophobicContact CE1-CG2 4.09Å; F86-V131 HydrophobicContact CE2-CG2 3.94Å; F86-V131 HydrophobicContact CG-CB 4.48Å; F86-V131 HydrophobicContact CG-CG1 4.23Å; F86-V131 HydrophobicContact CG-CG2 3.71Å; F86-V131 HydrophobicContact CZ-CG2 4.11Å; I119-V131 HydrophobicContact CG2-CG1 4.45Å; A126-V131 HydrophobicContact CB-CB 4.19Å; A126-V131 WeakPolarHBondContact O-CB 3.49Å; A126-V131 PolarHBondContact O-N 3.03Å; Y129-V131 PolarHBondContact O-N 3.36Å; V131-V134 HydrophobicContact CG1-CG1 4.47Å; V131-T136 HydrophobicContact CG1-CG2 4.48Å; V131-T136 HydrophobicContact CG2-CG2 4.15Å; V131-I138 HydrophobicContact CG2-CD1 4.35Å
132	S	96.9	Very high	98.1	Very high	124 Å²	124	43.3 Å²	43.3	87%	0.867	26%	0.263	S	S	*	.			trans	-98.8	-7	178.7	65.9	0	0	0	0	114	G130	G130-S132 PolarHBondContact O-N 3.49Å
133	A	98.1	Very high	97.8	Very high	46 Å²	46	43.5 Å²	43.5	38%	0.38	27%	0.269	S	S	.	.	S	Bend	trans	-154.6	148.8	-179.2	0	0	0	0	0	110.7	T136 V150	A133-T136 PolarHBondContact O-OG1 2.96Å; A133-V150 HydrophobicContact CB-CG1 4.34Å
134	V	98.7	Very high	97.8	Very high	27 Å²	27	45.4 Å²	45.4	16%	0.164	28%	0.276	C	S	.	.	S	Bend	trans	-114.5	146.8	174	-66.8	0	0	0	0	111.3	F86 A88 W90 C91 I119 V131	F86-V134 WeakPolarHBondContact O-CG1 3.37Å; A88-V134 HydrophobicContact CB-CG2 4.32Å; W90-V134 HydrophobicContact CH2-CG2 3.79Å; W90-V134 HydrophobicContact CZ2-CG2 4.46Å; W90-V134 HydrophobicContact CZ3-CG2 4.17Å; C91-V134 HydrophobicContact CB-CG2 3.96Å; I119-V134 HydrophobicContact CD1-CG1 3.64Å; I119-V134 HydrophobicContact CD1-CG2 4.34Å; I119-V134 HydrophobicContact CG1-CG1 4.07Å; I119-V134 HydrophobicContact CG2-CG1 3.83Å; V131-V134 HydrophobicContact CG1-CG1 4.47Å
135	P	98.6	Very high	97.7	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.026	28%	0.278	C	S	.	.	S	Bend	cis	-76.3	142.6	-3.8	30.3	-33.4	0	0	0	112.3	F86 P93 L97 G151	F86-P135 WeakPolarHBondContact O-CA 3.17Å; P93-P135 HydrophobicContact CB-CG 4.5Å; L97-P135 HydrophobicContact CB-CG 4.39Å; L97-P135 HydrophobicContact CD2-CB 3.49Å; L97-P135 VanDerWaalsContact CD2-CB 3.49Å; L97-P135 HydrophobicContact CD2-CG 3.6Å; P135-G151 PolarHBondContact O-N 2.89Å
136	T	98.9	Very high	97.7	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.8	168.8	-74.3	0	0	0	0	108.4	F86 V131 A133 I138 V150	F86-T136 WeakPolarHBondContact CB-O 3.39Å; F86-T136 PolarHBondContact N-O 3.49Å; F86-T136 PolarHBondContact O-N 3.12Å; V131-T136 HydrophobicContact CG1-CG2 4.48Å; V131-T136 HydrophobicContact CG2-CG2 4.15Å; A133-T136 PolarHBondContact O-OG1 2.96Å; T136-I138 HydrophobicContact CG2-CD1 4.45Å; T136-I138 HydrophobicContact CG2-CG1 4.03Å; T136-V150 HydrophobicContact CG2-CG2 4.37Å
137	V	98.9	Very high	97.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.7	176.7	-179	0	0	0	0	109.2	L83 V84 D85 L97 L101 R148 F149 F161	L83-V137 HydrophobicContact CB-CG1 4.31Å; V84-V137 CarbonylContact O-C 3.51Å; V84-V137 VanDerWaalsContact O-CA 3.28Å; V84-V137 WeakPolarHBondContact O-CA 3.43Å; D85-V137 HydrophobicContact CB-CG2 4.49Å; L97-V137 HydrophobicContact CD2-CG2 3.98Å; L101-V137 HydrophobicContact CD2-CG1 4.02Å; L101-V137 HydrophobicContact CD2-CG2 3.77Å; V137-R148 VanDerWaalsContact O-CA 3.28Å; V137-R148 WeakPolarHBondContact O-CA 3.43Å; V137-F149 HydrophobicContact CB-CD1 4.13Å; V137-F149 HydrophobicContact CB-CD2 4.43Å; V137-F149 HydrophobicContact CB-CE1 3.62Å; V137-F149 HydrophobicContact CB-CE2 3.94Å; V137-F149 HydrophobicContact CB-CZ 3.51Å; V137-F149 HydrophobicContact CG1-CE1 3.89Å; V137-F149 HydrophobicContact CG1-CZ 4.09Å; V137-F149 HydrophobicContact CG2-CE1 4.1Å; V137-F149 HydrophobicContact CG2-CE2 3.75Å; V137-F149 HydrophobicContact CG2-CZ 3.46Å; V137-F149 VanDerWaalsContact CG2-CZ 3.46Å; V137-F149 PolarHBondContact N-O 3.1Å; V137-F149 PolarHBondContact O-N 3.2Å; V137-F161 HydrophobicContact CG1-CE1 4.12Å
138	I	98.9	Very high	97.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.1	177.8	-59	-175.3	0	0	0	108.6	V84 F86 Y129 V131 T136 M140 V145 R148	V84-I138 PolarHBondContact N-O 2.88Å; V84-I138 PolarHBondContact O-N 3.41Å; F86-I138 HydrophobicContact CD2-CD1 4.36Å; F86-I138 HydrophobicContact CD2-CG1 4.43Å; F86-I138 HydrophobicContact CE2-CB 4.47Å; F86-I138 HydrophobicContact CE2-CD1 3.77Å; F86-I138 HydrophobicContact CE2-CG1 4.14Å; Y129-I138 HydrophobicContact CD1-CD1 4.22Å; Y129-I138 HydrophobicContact CG-CD1 4.32Å; V131-I138 HydrophobicContact CG2-CD1 4.35Å; T136-I138 HydrophobicContact CG2-CD1 4.45Å; T136-I138 HydrophobicContact CG2-CG1 4.03Å; I138-M140 HydrophobicContact CG2-CG 4.02Å; I138-V145 HydrophobicContact CG2-CB 4.29Å; I138-V145 HydrophobicContact CG2-CG1 3.67Å; I138-V145 HydrophobicContact CG2-CG2 3.8Å; I138-R148 HydrophobicContact CG1-CB 4.24Å
139	A	98.7	Very high	97.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.3	172.2	0	0	0	0	0	109.8	L83 V146 D147 F161 V165	L83-A139 HydrophobicContact CD2-CB 3.64Å; A139-V146 HydrophobicContact CB-CG2 3.88Å; A139-V146 WeakPolarHBondContact O-CG2 3.32Å; A139-V146 PolarHBondContact O-N 3.26Å; A139-D147 HydrophobicContact CB-CB 4.18Å; A139-D147 PolarHBondContact N-O 3.31Å; A139-F161 HydrophobicContact CB-CE1 4.24Å; A139-F161 HydrophobicContact CB-CZ 3.83Å; A139-V165 HydrophobicContact CB-CB 4.37Å; A139-V165 HydrophobicContact CB-CG1 4.01Å; A139-V165 HydrophobicContact CB-CG2 3.38Å
140	M	98.4	Very high	97.8	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	145.3	-179.7	-58.8	-169.9	72.3	0	0	111.3	F71 V75 I76 P81 V82 V84 Y129 I138 G143 D144 V145	F71-M140 HydrophobicContact CZ-SD 4.11Å; V75-M140 HydrophobicContact CG1-CB 4.33Å; V75-M140 HydrophobicContact CG1-CG 4.43Å; V75-M140 HydrophobicContact CG1-SD 3.56Å; V75-M140 VanDerWaalsContact CG1-SD 3.56Å; I76-M140 HydrophobicContact CD1-CE 3.45Å; I76-M140 VanDerWaalsContact CD1-CE 3.45Å; I76-M140 HydrophobicContact CD1-SD 4.47Å; P81-M140 WeakPolarHBondContact CA-O 3.49Å; V82-M140 PolarHBondContact N-O 3.11Å; V82-M140 PolarHBondContact O-N 3.21Å; V84-M140 HydrophobicContact CG2-CG 4.18Å; V84-M140 HydrophobicContact CG2-SD 3.85Å; Y129-M140 HydrophobicContact CE1-CE 3.57Å; Y129-M140 HydrophobicContact CE1-SD 3.88Å; I138-M140 HydrophobicContact CG2-CG 4.02Å; M140-G143 VanDerWaalsContact CE-O 3.25Å; M140-G143 WeakPolarHBondContact CE-O 2.85Å; M140-D144 CarbonylContact C-O 3.56Å; M140-D144 VanDerWaalsContact CA-O 3.23Å; M140-D144 WeakPolarHBondContact CA-O 3.46Å; M140-V145 HydrophobicContact CE-CG2 4.38Å; M140-V145 HydrophobicContact CG-CG2 4.47Å
141	R	96.4	Very high	97.8	Very high	106 Å²	106	44.5 Å²	44.5	40%	0.4	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	120.3	175.5	-179.3	-174.8	-75.2	-95.3	12.3	109.3	G143 D144 V146 V165 I166	R141-G143 VanDerWaalsContact C-N 3.27Å; R141-G143 PolarHBondContact O-N 2.98Å; R141-D144 PolarHBondContact N-O 3.07Å; R141-D144 PolarHBondContact O-N 2.89Å; R141-V146 HydrophobicContact CB-CG1 4.06Å; R141-V146 HydrophobicContact CB-CG2 4.47Å; R141-V165 PolarHBondContact NH2-O 2.74Å; R141-I166 PolarHBondContact NH2-O 2.76Å
142	G	93	Very high	97.8	Very high	58 Å²	58	47.1 Å²	47.1	60%	0.598	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	37.3	-178.9	0	0	0	0	0	113	D144	G142-D144 PolarHBondContact O-N 2.81Å
143	G	92.9	Very high	97.8	Very high	20 Å²	20	44.1 Å²	44.1	21%	0.206	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-16.5	-176.7	0	0	0	0	0	115.7	I76 M140 R141	I76-G143 PolarHBondContact O-N 3.01Å; I76-G143 VanDerWaalsContact O-N 3.14Å; M140-G143 VanDerWaalsContact CE-O 3.25Å; M140-G143 WeakPolarHBondContact CE-O 2.85Å; R141-G143 VanDerWaalsContact C-N 3.27Å; R141-G143 PolarHBondContact O-N 2.98Å
144	D	97.1	Very high	97.8	Very high	117 Å²	117	45.3 Å²	45.3	63%	0.626	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	143.6	-178.5	-67.1	-46.8	0	0	0	112.7	M140 R141 G142 V146	M140-D144 CarbonylContact C-O 3.56Å; M140-D144 VanDerWaalsContact CA-O 3.23Å; M140-D144 WeakPolarHBondContact CA-O 3.46Å; R141-D144 PolarHBondContact N-O 3.07Å; R141-D144 PolarHBondContact O-N 2.89Å; G142-D144 PolarHBondContact O-N 2.81Å; D144-V146 PolarHBondContact O-N 3.49Å
145	V	98.3	Very high	97.8	Very high	72 Å²	72	46.5 Å²	46.5	44%	0.436	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	120.1	168.5	176.2	0	0	0	0	109.6	Y129 I138 M140	Y129-V145 HydrophobicContact CD1-CG2 4.1Å; Y129-V145 HydrophobicContact CE1-CG2 4.06Å; I138-V145 HydrophobicContact CG2-CB 4.29Å; I138-V145 HydrophobicContact CG2-CG1 3.67Å; I138-V145 HydrophobicContact CG2-CG2 3.8Å; M140-V145 HydrophobicContact CE-CG2 4.38Å; M140-V145 HydrophobicContact CG-CG2 4.47Å
146	V	98.1	Very high	97.8	Very high	74 Å²	74	52.2 Å²	52.2	45%	0.448	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-23.5	-177.2	-63.6	0	0	0	0	114	A139 R141 D144	A139-V146 HydrophobicContact CB-CG2 3.88Å; A139-V146 WeakPolarHBondContact O-CG2 3.32Å; A139-V146 PolarHBondContact O-N 3.26Å; R141-V146 HydrophobicContact CB-CG1 4.06Å; R141-V146 HydrophobicContact CB-CG2 4.47Å; D144-V146 PolarHBondContact O-N 3.49Å
147	D	98.4	Very high	97.8	Very high	41 Å²	41	56.4 Å²	56.4	22%	0.219	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	164.2	174.8	-152.2	-9.1	0	0	0	110.9	A139 F161 K164	A139-D147 HydrophobicContact CB-CB 4.18Å; A139-D147 PolarHBondContact N-O 3.31Å; D147-F161 HydrophobicContact CB-CE2 3.76Å; D147-F161 HydrophobicContact CB-CZ 4.19Å; D147-K164 IonicContact OD1-NZ 2.64Å; D147-K164 WeakPolarHBondContact OD2-CD 3.46Å; D147-K164 VanDerWaalsContact OD2-CE 3.28Å; D147-K164 WeakPolarHBondContact OD2-CE 3.45Å; D147-K164 IonicContact OD2-NZ 2.76Å; D147-K164 PolarHBondContact OD2-NZ 2.96Å
148	R	98.7	Very high	97.7	Very high	99 Å²	99	56.4 Å²	56.4	37%	0.374	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	158.1	173.9	69.3	-174.8	-60	151.9	-0.7	113.4	Y129 V137 I138	Y129-R148 PolarHBondContact O-NH1 3.41Å; V137-R148 VanDerWaalsContact O-CA 3.28Å; V137-R148 WeakPolarHBondContact O-CA 3.43Å; I138-R148 HydrophobicContact CG1-CB 4.24Å
149	F	98.8	Very high	97.7	Very high	20 Å²	20	58.4 Å²	58.4	9%	0.088	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	162.6	164.1	69	-97.8	0	0	0	111.9	L97 V137 G151 K153 L158 F161	L97-F149 HydrophobicContact CD1-CE2 4.38Å; L97-F149 HydrophobicContact CD2-CE2 4.06Å; V137-F149 HydrophobicContact CB-CD1 4.13Å; V137-F149 HydrophobicContact CB-CD2 4.43Å; V137-F149 HydrophobicContact CB-CE1 3.62Å; V137-F149 HydrophobicContact CB-CE2 3.94Å; V137-F149 HydrophobicContact CB-CZ 3.51Å; V137-F149 HydrophobicContact CG1-CE1 3.89Å; V137-F149 HydrophobicContact CG1-CZ 4.09Å; V137-F149 HydrophobicContact CG2-CE1 4.1Å; V137-F149 HydrophobicContact CG2-CE2 3.75Å; V137-F149 HydrophobicContact CG2-CZ 3.46Å; V137-F149 VanDerWaalsContact CG2-CZ 3.46Å; V137-F149 PolarHBondContact N-O 3.1Å; V137-F149 PolarHBondContact O-N 3.2Å; F149-G151 WeakPolarHBondContact CE2-O 3.47Å; F149-K153 HydrophobicContact CD2-CD 4.39Å; F149-K153 HydrophobicContact CD2-CG 3.75Å; F149-K153 HydrophobicContact CE1-CG 4.46Å; F149-K153 HydrophobicContact CE2-CG 3.6Å; F149-K153 HydrophobicContact CG-CG 4.26Å; F149-K153 HydrophobicContact CZ-CG 3.97Å; F149-L158 HydrophobicContact CE1-CD2 4.38Å; F149-L158 HydrophobicContact CZ-CD2 3.86Å; F149-F161 HydrophobicContact CD1-CD1 4.17Å; F149-F161 AromaticContact CD1-CD2 3.97Å; F149-F161 HydrophobicContact CD1-CD2 3.97Å; F149-F161 HydrophobicContact CD1-CE1 4.02Å; F149-F161 AromaticContact CD1-CE2 3.82Å; F149-F161 HydrophobicContact CD1-CE2 3.82Å; F149-F161 HydrophobicContact CD1-CG 4.14Å; F149-F161 AromaticContact CD1-CZ 3.85Å; F149-F161 HydrophobicContact CD1-CZ 3.85Å; F149-F161 AromaticContact CE1-CD1 3.75Å; F149-F161 HydrophobicContact CE1-CD1 3.75Å; F149-F161 HydrophobicContact CE1-CD2 4.35Å; F149-F161 AromaticContact CE1-CE1 3.75Å; F149-F161 HydrophobicContact CE1-CE1 3.75Å; F149-F161 HydrophobicContact CE1-CE2 4.36Å; F149-F161 HydrophobicContact CE1-CG 4.05Å; F149-F161 HydrophobicContact CE1-CZ 4.08Å
150	V	98.8	Very high	97.6	Very high	82 Å²	82	62.2 Å²	62.2	50%	0.497	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.8	175.3	-175.4	0	0	0	0	109	A133 T136	A133-V150 HydrophobicContact CB-CG1 4.34Å; T136-V150 HydrophobicContact CG2-CG2 4.37Å
151	G	98.4	Very high	97.6	Very high	22 Å²	22	63.1 Å²	63.1	23%	0.227	35%	0.351	C	S	.	.	S	Bend	trans	85.6	-174.1	177.5	0	0	0	0	0	114.4	P135 F149	P135-G151 PolarHBondContact O-N 2.89Å; F149-G151 WeakPolarHBondContact CE2-O 3.47Å
152	I	98.1	Very high	97.7	Very high	74 Å²	74	58.1 Å²	58.1	38%	0.379	33%	0.332	S	S	.	.			trans	-74.8	146	-178	-57.2	175.6	0	0	0	110.4	P93 I96	P93-I152 HydrophobicContact CB-CD1 3.81Å; P93-I152 HydrophobicContact CB-CG1 3.92Å; I96-I152 HydrophobicContact CB-CD1 4.48Å; I96-I152 HydrophobicContact CD1-CD1 4.33Å
153	K	98.3	Very high	97.8	Very high	61 Å²	61	56.6 Å²	56.6	27%	0.265	31%	0.313	S	S	.	.			trans	-124.5	152.1	169	-62	-63.7	175.9	-173.6	0	110.2	F149 Q157 L158	F149-K153 HydrophobicContact CD2-CD 4.39Å; F149-K153 HydrophobicContact CD2-CG 3.75Å; F149-K153 HydrophobicContact CE1-CG 4.46Å; F149-K153 HydrophobicContact CE2-CG 3.6Å; F149-K153 HydrophobicContact CG-CG 4.26Å; F149-K153 HydrophobicContact CZ-CG 3.97Å; K153-Q157 HydrophobicContact CB-CB 3.95Å; K153-Q157 HydrophobicContact CD-CB 4.22Å; K153-Q157 HydrophobicContact CG-CB 4.46Å; K153-L158 HydrophobicContact CB-CD2 3.75Å; K153-L158 HydrophobicContact CB-CG 3.8Å; K153-L158 HydrophobicContact CG-CD2 4.35Å
154	D	98.4	Very high	97.9	Very high	71 Å²	71	61.9 Å²	61.9	38%	0.38	33%	0.33	S	S	.	.			trans	-77.7	169.7	168.7	61.2	58.9	0	0	0	111.5	D156 Q157 L158	D154-D156 VanDerWaalsContact C-N 3.28Å; D154-D156 PolarHBondContact O-N 3.3Å; D154-D156 PolarHBondContact OD1-N 3.4Å; D154-D156 VanDerWaalsContact OD1-N 3.11Å; D154-Q157 PolarHBondContact O-N 3.41Å; D154-Q157 WeakPolarHBondContact OD1-CG 3.42Å; D154-Q157 PolarHBondContact OD1-N 3.43Å; D154-Q157 VanDerWaalsContact OD2-CD 3.29Å; D154-Q157 PolarHBondContact OD2-OE1 3.33Å; D154-L158 VanDerWaalsContact O-CG 3.29Å; D154-L158 WeakPolarHBondContact O-CG 3.35Å; D154-L158 PolarHBondContact O-N 3.16Å
155	D	97.9	Very high	97.8	Very high	52 Å²	52	56.8 Å²	56.8	28%	0.278	30%	0.303	S	S	.	.	H	α-helix	trans	-60.4	-35.7	-175.5	-80	24.4	0	0	0	112	K103 L158 D159	K103-D155 IonicContact NZ-OD2 2.78Å; K103-D155 PolarHBondContact NZ-OD2 3.13Å; D155-L158 PolarHBondContact O-N 2.95Å; D155-D159 WeakPolarHBondContact O-CB 3.47Å; D155-D159 PolarHBondContact O-N 2.91Å
156	D	98.1	Very high	97.6	Very high	125 Å²	125	54.2 Å²	54.2	67%	0.668	29%	0.287	S	S	*	.	H	α-helix	trans	-71.9	-41.2	-178.7	-67.1	-25.5	0	0	0	111.3	D154 L158 S160	D154-D156 VanDerWaalsContact C-N 3.28Å; D154-D156 PolarHBondContact O-N 3.3Å; D154-D156 PolarHBondContact OD1-N 3.4Å; D154-D156 VanDerWaalsContact OD1-N 3.11Å; D156-L158 VanDerWaalsContact C-N 3.35Å; D156-S160 VanDerWaalsContact O-CB 3.3Å; D156-S160 WeakPolarHBondContact O-CB 3.41Å; D156-S160 PolarHBondContact O-N 2.79Å; D156-S160 PolarHBondContact O-OG 3.36Å
157	Q	98.4	Very high	97.1	Very high	89 Å²	89	53.8 Å²	53.8	42%	0.416	30%	0.297	S	S	.	.	H	α-helix	trans	-63.4	-40.7	173.9	-72.8	179.6	-28.2	0	0	111.8	K153 D154 F161	K153-Q157 HydrophobicContact CB-CB 3.95Å; K153-Q157 HydrophobicContact CD-CB 4.22Å; K153-Q157 HydrophobicContact CG-CB 4.46Å; D154-Q157 PolarHBondContact O-N 3.41Å; D154-Q157 WeakPolarHBondContact OD1-CG 3.42Å; D154-Q157 PolarHBondContact OD1-N 3.43Å; D154-Q157 VanDerWaalsContact OD2-CD 3.29Å; D154-Q157 PolarHBondContact OD2-OE1 3.33Å; Q157-F161 WeakPolarHBondContact O-CB 3.31Å; Q157-F161 PolarHBondContact O-N 3.28Å
158	L	98.6	Very high	95.2	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-66.6	-47.2	177.1	-71	175.1	0	0	0	111.8	L97 R100 L101 A104 F149 K153 D154 D155 D156 S160 F161 V162	L97-L158 HydrophobicContact CD1-CD1 4.29Å; L97-L158 HydrophobicContact CD1-CD2 4.06Å; R100-L158 HydrophobicContact CB-CD1 3.56Å; L101-L158 HydrophobicContact CD1-CD2 3.92Å; A104-L158 HydrophobicContact CB-CB 4.12Å; F149-L158 HydrophobicContact CE1-CD2 4.38Å; F149-L158 HydrophobicContact CZ-CD2 3.86Å; K153-L158 HydrophobicContact CB-CD2 3.75Å; K153-L158 HydrophobicContact CB-CG 3.8Å; K153-L158 HydrophobicContact CG-CD2 4.35Å; D154-L158 VanDerWaalsContact O-CG 3.29Å; D154-L158 WeakPolarHBondContact O-CG 3.35Å; D154-L158 PolarHBondContact O-N 3.16Å; D155-L158 PolarHBondContact O-N 2.95Å; D156-L158 VanDerWaalsContact C-N 3.35Å; L158-S160 VanDerWaalsContact C-N 3.29Å; L158-S160 PolarHBondContact O-N 3.37Å; L158-F161 PolarHBondContact O-N 3.46Å; L158-V162 WeakPolarHBondContact O-CB 3.45Å; L158-V162 VanDerWaalsContact O-CG2 3.23Å; L158-V162 WeakPolarHBondContact O-CG2 3.48Å; L158-V162 PolarHBondContact O-N 3.47Å
159	D	97.1	Very high	95	Very high	42 Å²	42	56.8 Å²	56.8	23%	0.225	32%	0.316	C	S	.	.	H	α-helix	trans	-59.7	-43.3	176.7	-77.3	-8.2	0	0	0	110.6	K107 D155 V162 C163	K107-D159 IonicContact NZ-OD1 3.72Å; K107-D159 PolarHBondContact NZ-OD1 2.94Å; K107-D159 IonicContact NZ-OD2 2.89Å; K107-D159 PolarHBondContact NZ-OD2 3.33Å; D155-D159 WeakPolarHBondContact O-CB 3.47Å; D155-D159 PolarHBondContact O-N 2.91Å; D159-V162 PolarHBondContact O-N 3.2Å; D159-C163 WeakPolarHBondContact O-CB 3.2Å; D159-C163 PolarHBondContact O-N 3.42Å; D159-C163 PolarHBondContact O-SG 3.17Å; D159-C163 VanDerWaalsContact O-SG 3.38Å
160	S	97.9	Very high	94.8	Very high	79 Å²	79	58.7 Å²	58.7	55%	0.552	33%	0.328	S	S	*	.	H	α-helix	trans	-63	-43.9	177	-60.1	0	0	0	0	112.5	D156 L158 C163 K164	D156-S160 VanDerWaalsContact O-CB 3.3Å; D156-S160 WeakPolarHBondContact O-CB 3.41Å; D156-S160 PolarHBondContact O-N 2.79Å; D156-S160 PolarHBondContact O-OG 3.36Å; L158-S160 VanDerWaalsContact C-N 3.29Å; L158-S160 PolarHBondContact O-N 3.37Å; S160-C163 PolarHBondContact O-N 3.01Å; S160-K164 WeakPolarHBondContact O-CB 3.43Å; S160-K164 PolarHBondContact O-N 3.01Å
161	F	98.4	Very high	94.6	Very high	21 Å²	21	57.4 Å²	57.4	9%	0.092	32%	0.319	C	S	.	.	H	α-helix	trans	-62.1	-46.8	177.3	-178.9	-102	0	0	0	111.2	L83 V137 A139 D147 F149 Q157 L158 C163 K164 V165	L83-F161 HydrophobicContact CD1-CD1 4.36Å; L83-F161 HydrophobicContact CD1-CE1 4.27Å; L83-F161 HydrophobicContact CD2-CD1 4.48Å; L83-F161 HydrophobicContact CD2-CE1 3.78Å; V137-F161 HydrophobicContact CG1-CE1 4.12Å; A139-F161 HydrophobicContact CB-CE1 4.24Å; A139-F161 HydrophobicContact CB-CZ 3.83Å; D147-F161 HydrophobicContact CB-CE2 3.76Å; D147-F161 HydrophobicContact CB-CZ 4.19Å; F149-F161 HydrophobicContact CD1-CD1 4.17Å; F149-F161 AromaticContact CD1-CD2 3.97Å; F149-F161 HydrophobicContact CD1-CD2 3.97Å; F149-F161 HydrophobicContact CD1-CE1 4.02Å; F149-F161 AromaticContact CD1-CE2 3.82Å; F149-F161 HydrophobicContact CD1-CE2 3.82Å; F149-F161 HydrophobicContact CD1-CG 4.14Å; F149-F161 AromaticContact CD1-CZ 3.85Å; F149-F161 HydrophobicContact CD1-CZ 3.85Å; F149-F161 AromaticContact CE1-CD1 3.75Å; F149-F161 HydrophobicContact CE1-CD1 3.75Å; F149-F161 HydrophobicContact CE1-CD2 4.35Å; F149-F161 AromaticContact CE1-CE1 3.75Å; F149-F161 HydrophobicContact CE1-CE1 3.75Å; F149-F161 HydrophobicContact CE1-CE2 4.36Å; F149-F161 HydrophobicContact CE1-CG 4.05Å; F149-F161 HydrophobicContact CE1-CZ 4.08Å; Q157-F161 WeakPolarHBondContact O-CB 3.31Å; Q157-F161 PolarHBondContact O-N 3.28Å; L158-F161 PolarHBondContact O-N 3.46Å; F161-C163 PolarHBondContact O-N 2.97Å; F161-K164 PolarHBondContact O-N 3.26Å; F161-V165 HydrophobicContact CD1-CG2 4.43Å; F161-V165 HydrophobicContact CE1-CG2 4.17Å; F161-V165 HydrophobicContact CZ-CG2 4.22Å; F161-V165 VanDerWaalsContact O-CG2 3.31Å; F161-V165 WeakPolarHBondContact O-CG2 3.29Å; F161-V165 PolarHBondContact O-N 3.34Å
162	V	97.3	Very high	94.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61	-45.7	177.4	174.2	0	0	0	0	111	L83 A104 Q108 V112 L158 D159 K164 V165 I166	L83-V162 HydrophobicContact CD1-CG2 3.83Å; A104-V162 HydrophobicContact CB-CG2 4.08Å; Q108-V162 HydrophobicContact CG-CG1 3.36Å; V112-V162 HydrophobicContact CG1-CG1 4.03Å; L158-V162 WeakPolarHBondContact O-CB 3.45Å; L158-V162 VanDerWaalsContact O-CG2 3.23Å; L158-V162 WeakPolarHBondContact O-CG2 3.48Å; L158-V162 PolarHBondContact O-N 3.47Å; D159-V162 PolarHBondContact O-N 3.2Å; V162-K164 PolarHBondContact O-N 2.85Å; V162-V165 PolarHBondContact O-N 3.34Å; V162-I166 WeakPolarHBondContact O-CG1 3.44Å; V162-I166 PolarHBondContact O-N 2.79Å
163	C	95.5	Very high	94.2	Very high	27 Å²	27	58.6 Å²	58.6	18%	0.182	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-44.9	176.9	-77.9	0	0	0	0	112.6	D159 S160 F161 V165 I166 G167 Q168	D159-C163 WeakPolarHBondContact O-CB 3.2Å; D159-C163 PolarHBondContact O-N 3.42Å; D159-C163 PolarHBondContact O-SG 3.17Å; D159-C163 VanDerWaalsContact O-SG 3.38Å; S160-C163 PolarHBondContact O-N 3.01Å; F161-C163 PolarHBondContact O-N 2.97Å; C163-V165 VanDerWaalsContact C-N 3.33Å; C163-V165 PolarHBondContact O-N 3.36Å; C163-I166 WeakPolarHBondContact O-CG1 3.34Å; C163-I166 PolarHBondContact O-N 2.85Å; C163-G167 PolarHBondContact O-N 3.36Å; C163-Q168 HydrophobicContact CB-CB 4.49Å; C163-Q168 PolarHBondContact O-N 3.31Å
164	K	96.1	Very high	93.9	Very high	131 Å²	131	58.4 Å²	58.4	57%	0.57	33%	0.325	S	S	*	.	H	α-helix	trans	-58.3	-46.4	174.8	-179.4	-175	172.6	-169.6	0	111.3	D147 S160 F161 V162 I166 G167	D147-K164 IonicContact OD1-NZ 2.64Å; D147-K164 WeakPolarHBondContact OD2-CD 3.46Å; D147-K164 VanDerWaalsContact OD2-CE 3.28Å; D147-K164 WeakPolarHBondContact OD2-CE 3.45Å; D147-K164 IonicContact OD2-NZ 2.76Å; D147-K164 PolarHBondContact OD2-NZ 2.96Å; S160-K164 WeakPolarHBondContact O-CB 3.43Å; S160-K164 PolarHBondContact O-N 3.01Å; F161-K164 PolarHBondContact O-N 3.26Å; V162-K164 PolarHBondContact O-N 2.85Å; K164-I166 PolarHBondContact O-N 3.07Å; K164-G167 PolarHBondContact O-N 3.47Å; K164-G167 VanDerWaalsContact O-N 3.1Å
165	V	95	Very high	93.6	Very high	9 Å²	9	57.5 Å²	57.5	6%	0.055	32%	0.321	C	S	.	.	H	α-helix	trans	-64.3	-39.9	-177.2	170.2	0	0	0	0	111.8	P81 L83 A139 R141 F161 V162 C163 G167	P81-V165 HydrophobicContact CB-CG1 3.66Å; L83-V165 HydrophobicContact CD2-CB 4.42Å; L83-V165 HydrophobicContact CD2-CG1 4.01Å; L83-V165 HydrophobicContact CD2-CG2 4.14Å; A139-V165 HydrophobicContact CB-CB 4.37Å; A139-V165 HydrophobicContact CB-CG1 4.01Å; A139-V165 HydrophobicContact CB-CG2 3.38Å; R141-V165 PolarHBondContact NH2-O 2.74Å; F161-V165 HydrophobicContact CD1-CG2 4.43Å; F161-V165 HydrophobicContact CE1-CG2 4.17Å; F161-V165 HydrophobicContact CZ-CG2 4.22Å; F161-V165 VanDerWaalsContact O-CG2 3.31Å; F161-V165 WeakPolarHBondContact O-CG2 3.29Å; F161-V165 PolarHBondContact O-N 3.34Å; V162-V165 PolarHBondContact O-N 3.34Å; C163-V165 VanDerWaalsContact C-N 3.33Å; C163-V165 PolarHBondContact O-N 3.36Å; V165-G167 PolarHBondContact O-N 3.13Å
166	I	93.6	Very high	93.2	Very high	19 Å²	19	57.9 Å²	57.9	10%	0.097	32%	0.324	C	S	.	.	H	α-helix	trans	-74.3	-11.4	176.8	62.6	-176.8	0	0	0	113.4	V112 R141 V162 C163 K164 Q168	V112-I166 HydrophobicContact CB-CG2 3.89Å; V112-I166 HydrophobicContact CG1-CG2 4.42Å; R141-I166 PolarHBondContact NH2-O 2.76Å; V162-I166 WeakPolarHBondContact O-CG1 3.44Å; V162-I166 PolarHBondContact O-N 2.79Å; C163-I166 WeakPolarHBondContact O-CG1 3.34Å; C163-I166 PolarHBondContact O-N 2.85Å; K164-I166 PolarHBondContact O-N 3.07Å; I166-Q168 HydrophobicContact CD1-CB 4.3Å; I166-Q168 HydrophobicContact CD1-CG 3.98Å; I166-Q168 HydrophobicContact CG1-CB 4.14Å; I166-Q168 HydrophobicContact CG1-CG 3.96Å
167	G	86.9	Confident	92.8	Very high	65 Å²	65	52.3 Å²	52.3	67%	0.67	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	38.3	-179.4	0	0	0	0	0	113.6	C163 K164 V165	C163-G167 PolarHBondContact O-N 3.36Å; K164-G167 PolarHBondContact O-N 3.47Å; K164-G167 VanDerWaalsContact O-N 3.1Å; V165-G167 PolarHBondContact O-N 3.13Å
168	Q	59.1	Low	92.3	Very high	145 Å²	145	49 Å²	49	68%	0.678	28%	0.284	S	S	*	.			trans	-110	0	174.4	-72.6	-166.3	-47.9	0	0	112.5	C163 I166	C163-Q168 HydrophobicContact CB-CB 4.49Å; C163-Q168 PolarHBondContact O-N 3.31Å; I166-Q168 HydrophobicContact CD1-CB 4.3Å; I166-Q168 HydrophobicContact CD1-CG 3.98Å; I166-Q168 HydrophobicContact CG1-CB 4.14Å; I166-Q168 HydrophobicContact CG1-CG 3.96Å

Retrieved 168 of 168 residues in 358.5 ms (Link to these results)

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