A0A096LPB7_HUMAN Loading...

Thioredoxin reductase 2

AlphaFold DB , UniProt , Accession A0A096LPB7, Species HUMAN (Homo sapiens, Human), Gene TXNRD2, Length 180 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	37.3	Very low	41.4	Very low	214 Å²	214	98.2 Å²	98.2	100%	1.054	57%	0.568	S	S	*	*				0	-28.5	0	-73.8	176	90.1	0	0	114.4	T3	M1-T3 PolarHBondContact O-N 3.36Å
2	K	28.1	Very low	42	Very low	201 Å²	201	98.5 Å²	98.5	87%	0.874	57%	0.572	S	S	*	*	H	α-helix	trans	-71.6	-22.5	178.6	-67.8	-177.2	177.2	-178.5	0	115	G6	K2-G6 PolarHBondContact O-N 3.43Å
3	T	41	Very low	42.2	Very low	120 Å²	120	101.4 Å²	101.4	74%	0.736	58%	0.58	S	S	*	*	H	α-helix	trans	-81.7	-32.8	-178.8	-7.4	0	0	0	0	113.9	M1 A7	M1-T3 PolarHBondContact O-N 3.36Å; T3-A7 PolarHBondContact O-N 2.93Å
4	V	44	Very low	42.3	Very low	97 Å²	97	97.9 Å²	97.9	59%	0.588	58%	0.577	S	S	*	*	H	α-helix	trans	-76	-36.9	179.6	-174.6	0	0	0	0	110.9	A7 L8	V4-A7 PolarHBondContact O-N 3.09Å; V4-L8 HydrophobicContact CG1-CD1 3.88Å; V4-L8 VanDerWaalsContact O-CD1 3.26Å; V4-L8 WeakPolarHBondContact O-CD1 3.29Å; V4-L8 PolarHBondContact O-N 3.37Å
5	A	41.1	Very low	42.4	Very low	64 Å²	64	100.1 Å²	100.1	53%	0.529	58%	0.579	S	S	.	*	H	α-helix	trans	-67.2	-36.2	173.7	0	0	0	0	0	112.5	L8 L9	A5-L8 PolarHBondContact O-N 2.8Å; A5-L9 WeakPolarHBondContact O-CB 3.17Å; A5-L9 PolarHBondContact O-N 3.47Å
6	G	33.8	Very low	42.6	Very low	44 Å²	44	99.1 Å²	99.1	45%	0.454	58%	0.578	S	S	.	*	H	α-helix	trans	-66.5	-40.3	174.6	0	0	0	0	0	113.3	K2 L9 S10	K2-G6 PolarHBondContact O-N 3.43Å; G6-L9 PolarHBondContact O-N 2.84Å; G6-S10 PolarHBondContact O-N 3.01Å; G6-S10 VanDerWaalsContact O-N 3.11Å
7	A	48.5	Very low	43.3	Very low	51 Å²	51	96.1 Å²	96.1	42%	0.421	56%	0.564	S	S	.	*	H	α-helix	trans	-67.1	-41.3	174.5	0	0	0	0	0	112.1	T3 V4 L9 S10 L11	T3-A7 PolarHBondContact O-N 2.93Å; V4-A7 PolarHBondContact O-N 3.09Å; A7-L9 PolarHBondContact O-N 2.99Å; A7-S10 PolarHBondContact O-N 3.4Å; A7-S10 PolarHBondContact O-OG 3.19Å; A7-L11 PolarHBondContact O-N 2.9Å; A7-L11 VanDerWaalsContact O-N 3.11Å
8	L	47	Very low	44.4	Very low	67 Å²	67	101.6 Å²	101.6	35%	0.351	58%	0.583	S	S	.	*	H	α-helix	trans	-63.2	-39.9	173.9	-100.3	98.1	0	0	0	112.3	V4 A5 S10 L11 V12 L34	V4-L8 HydrophobicContact CG1-CD1 3.88Å; V4-L8 VanDerWaalsContact O-CD1 3.26Å; V4-L8 WeakPolarHBondContact O-CD1 3.29Å; V4-L8 PolarHBondContact O-N 3.37Å; A5-L8 PolarHBondContact O-N 2.8Å; L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.28Å; L8-L11 PolarHBondContact O-N 3.29Å; L8-V12 WeakPolarHBondContact O-CB 3.28Å; L8-V12 WeakPolarHBondContact O-CG2 3.43Å; L8-V12 PolarHBondContact O-N 3.09Å; L8-L34 HydrophobicContact CG-CD2 4.48Å
9	L	41	Very low	45.5	Very low	105 Å²	105	101.1 Å²	101.1	55%	0.55	60%	0.602	S	S	.	*	H	α-helix	trans	-68.2	-34.3	179.7	-152.1	72.3	0	0	0	111.8	A5 G6 A7 V12 M13	A5-L9 WeakPolarHBondContact O-CB 3.17Å; A5-L9 PolarHBondContact O-N 3.47Å; G6-L9 PolarHBondContact O-N 2.84Å; A7-L9 PolarHBondContact O-N 2.99Å; L9-V12 PolarHBondContact O-N 2.93Å; L9-M13 HydrophobicContact CG-CG 4.23Å; L9-M13 VanDerWaalsContact O-CB 3.25Å; L9-M13 WeakPolarHBondContact O-CB 3.38Å; L9-M13 VanDerWaalsContact O-CG 3.31Å; L9-M13 WeakPolarHBondContact O-CG 3.28Å; L9-M13 PolarHBondContact O-N 3.48Å
10	S	45.8	Very low	47.1	Very low	46 Å²	46	101.7 Å²	101.7	32%	0.322	59%	0.593	S	S	.	*	H	α-helix	trans	-67.1	-37.8	172.6	71.5	0	0	0	0	113.1	G6 A7 L8 Q15	G6-S10 PolarHBondContact O-N 3.01Å; G6-S10 VanDerWaalsContact O-N 3.11Å; A7-S10 PolarHBondContact O-N 3.4Å; A7-S10 PolarHBondContact O-OG 3.19Å; L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.28Å; S10-Q15 PolarHBondContact O-N 3.35Å; S10-Q15 VanDerWaalsContact O-N 3.16Å
11	L	47.4	Very low	48.5	Very low	71 Å²	71	99.6 Å²	99.6	37%	0.372	58%	0.583	S	S	.	*	H	α-helix	trans	-72.1	-31.4	176.1	-110.6	89.5	0	0	0	113.1	A7 L8 L34	A7-L11 PolarHBondContact O-N 2.9Å; A7-L11 VanDerWaalsContact O-N 3.11Å; L8-L11 PolarHBondContact O-N 3.29Å; L11-L34 HydrophobicContact CD2-CD2 3.74Å
12	V	49.1	Very low	50.7	Low	102 Å²	102	97.2 Å²	97.2	62%	0.618	57%	0.569	S	S	*	*	H	α-helix	trans	-87.7	-28.6	-177.5	172.7	0	0	0	0	112.1	L8 L9	L8-V12 WeakPolarHBondContact O-CB 3.28Å; L8-V12 WeakPolarHBondContact O-CG2 3.43Å; L8-V12 PolarHBondContact O-N 3.09Å; L9-V12 PolarHBondContact O-N 2.93Å
13	M	44.9	Very low	53.3	Low	136 Å²	136	90.2 Å²	90.2	67%	0.67	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	13.3	-178.4	-61.9	-131.6	-58.6	0	0	114.8	L9 Q15	L9-M13 HydrophobicContact CG-CG 4.23Å; L9-M13 VanDerWaalsContact O-CB 3.25Å; L9-M13 WeakPolarHBondContact O-CB 3.38Å; L9-M13 VanDerWaalsContact O-CG 3.31Å; L9-M13 WeakPolarHBondContact O-CG 3.28Å; L9-M13 PolarHBondContact O-N 3.48Å; M13-Q15 VanDerWaalsContact C-N 3.35Å; M13-Q15 PolarHBondContact O-N 2.87Å
14	G	43.3	Very low	55.4	Low	53 Å²	53	89.7 Å²	89.7	55%	0.546	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	32.4	175.1	0	0	0	0	0	114.1
15	Q	43.1	Very low	57.4	Low	130 Å²	130	89.7 Å²	89.7	61%	0.607	54%	0.54	S	S	*	.			trans	-75	138.9	166.7	-70.5	-67.4	-67.1	0	0	109	S10 M13 S17	S10-Q15 PolarHBondContact O-N 3.35Å; S10-Q15 VanDerWaalsContact O-N 3.16Å; M13-Q15 VanDerWaalsContact C-N 3.35Å; M13-Q15 PolarHBondContact O-N 2.87Å; Q15-S17 PolarHBondContact O-N 2.9Å
16	P	45.9	Very low	59.7	Low	85 Å²	85	87 Å²	87	55%	0.552	52%	0.517	S	S	*	.			trans	-61.3	113.6	-172.5	22.8	-31.6	0	0	0	109.8	E18	P16-E18 PolarHBondContact O-N 3.32Å
17	S	55	Low	62.1	Low	48 Å²	48	87 Å²	87	34%	0.336	51%	0.512	S	S	.	.			trans	-68.8	116.9	152	55.1	0	0	0	0	106	Q15 G19 R20	Q15-S17 PolarHBondContact O-N 2.9Å; S17-G19 PolarHBondContact O-N 3.49Å; S17-R20 PolarHBondContact O-N 3.44Å; S17-R20 VanDerWaalsContact O-N 3.16Å; S17-R20 WeakPolarHBondContact OG-CB 3.28Å; S17-R20 WeakPolarHBondContact OG-CD 3.22Å; S17-R20 WeakPolarHBondContact OG-CG 3.49Å
18	E	62.3	Low	64	Low	194 Å²	194	90.2 Å²	90.2	91%	0.907	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.4	127.7	-179.6	-93	177.3	158.1	0	0	111.6	P16	P16-E18 PolarHBondContact O-N 3.32Å
19	G	66.6	Low	66.1	Low	92 Å²	92	90 Å²	90	95%	0.948	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	14.8	174.3	0	0	0	0	0	116.4	S17	S17-G19 PolarHBondContact O-N 3.49Å
20	R	76.8	Confident	68.4	Low	113 Å²	113	85.6 Å²	85.6	43%	0.426	50%	0.497	S	S	.	.	S	Bend	trans	-109.5	149.8	175.3	-55.8	-155.6	-171.8	144.1	-5.5	112.8	S17 Y48	S17-R20 PolarHBondContact O-N 3.44Å; S17-R20 VanDerWaalsContact O-N 3.16Å; S17-R20 WeakPolarHBondContact OG-CB 3.28Å; S17-R20 WeakPolarHBondContact OG-CD 3.22Å; S17-R20 WeakPolarHBondContact OG-CG 3.49Å; R20-Y48 HydrophobicContact CB-CD1 4.49Å; R20-Y48 HydrophobicContact CB-CE1 4.34Å; R20-Y48 VanDerWaalsContact CD-CE1 3.4Å; R20-Y48 HydrophobicContact CG-CE1 4.38Å; R20-Y48 PolarHBondContact NH1-OH 3.19Å
21	P	77.1	Confident	70.5	Confident	58 Å²	58	84.3 Å²	84.3	38%	0.377	49%	0.491	S	S	.	.			trans	-67.9	137.4	-178.9	-8.1	21.1	0	0	0	111.9	L23 I26	P21-L23 PolarHBondContact O-N 2.98Å; P21-L23 VanDerWaalsContact O-N 3.16Å; P21-I26 HydrophobicContact CB-CD1 3.5Å; P21-I26 HydrophobicContact CG-CD1 3.75Å; P21-I26 WeakPolarHBondContact O-CD1 3.39Å
22	E	83.7	Confident	72.7	Confident	164 Å²	164	88.3 Å²	88.3	77%	0.766	50%	0.502	S	S	*	.			trans	-90.3	68.6	-174.1	-62.2	-177.6	173.8	0	0	111.4
23	L	81.6	Confident	74.8	Confident	55 Å²	55	84.3 Å²	84.3	29%	0.288	48%	0.477	S	S	.	.			trans	-123.4	137.5	-177	-58.7	174.2	0	0	0	112.3	P21 I26 A27 V51 T53	P21-L23 PolarHBondContact O-N 2.98Å; P21-L23 VanDerWaalsContact O-N 3.16Å; L23-I26 HydrophobicContact CB-CB 4.42Å; L23-I26 HydrophobicContact CB-CD1 3.9Å; L23-I26 HydrophobicContact CB-CG1 4.04Å; L23-I26 HydrophobicContact CD1-CD1 4.02Å; L23-I26 HydrophobicContact CG-CD1 4.2Å; L23-I26 WeakPolarHBondContact O-CB 3.43Å; L23-I26 PolarHBondContact O-N 2.9Å; L23-A27 PolarHBondContact O-N 2.92Å; L23-A27 VanDerWaalsContact O-N 3.16Å; L23-V51 HydrophobicContact CD1-CG1 4.12Å; L23-T53 HydrophobicContact CD1-CG2 4.37Å; L23-T53 HydrophobicContact CD2-CG2 4.34Å
24	T	85.3	Confident	77.1	Confident	109 Å²	109	79.2 Å²	79.2	67%	0.669	45%	0.452	S	S	*	.	H	α-helix	trans	-53.2	-45.8	179.2	-53.9	0	0	0	0	113.5	I26 A27 I28	T24-I26 VanDerWaalsContact C-N 3.27Å; T24-I26 PolarHBondContact O-N 3.48Å; T24-A27 PolarHBondContact O-N 3.43Å; T24-I28 HydrophobicContact CG2-CD1 3.96Å; T24-I28 WeakPolarHBondContact O-CG1 3.48Å; T24-I28 PolarHBondContact O-N 3.47Å; T24-I28 VanDerWaalsContact O-N 3.12Å
25	P	86.9	Confident	79.6	Confident	96 Å²	96	80.6 Å²	80.6	62%	0.623	45%	0.45	S	S	*	.	H	α-helix	trans	-63.3	-31.5	177.9	-23	35.6	0	0	0	113.4	M29	P25-M29 WeakPolarHBondContact O-CB 3.42Å; P25-M29 PolarHBondContact O-N 2.73Å
26	I	88.6	Confident	82	Confident	9 Å²	9	77.4 Å²	77.4	5%	0.046	44%	0.435	C	S	.	.	H	α-helix	trans	-65.5	-48.7	175.5	-66.9	176.7	0	0	0	110	P21 L23 T24 I28 M29 A30 M46 Y48 V51	P21-I26 HydrophobicContact CB-CD1 3.5Å; P21-I26 HydrophobicContact CG-CD1 3.75Å; P21-I26 WeakPolarHBondContact O-CD1 3.39Å; L23-I26 HydrophobicContact CB-CB 4.42Å; L23-I26 HydrophobicContact CB-CD1 3.9Å; L23-I26 HydrophobicContact CB-CG1 4.04Å; L23-I26 HydrophobicContact CD1-CD1 4.02Å; L23-I26 HydrophobicContact CG-CD1 4.2Å; L23-I26 WeakPolarHBondContact O-CB 3.43Å; L23-I26 PolarHBondContact O-N 2.9Å; T24-I26 VanDerWaalsContact C-N 3.27Å; T24-I26 PolarHBondContact O-N 3.48Å; I26-I28 VanDerWaalsContact C-N 3.32Å; I26-I28 PolarHBondContact O-N 2.74Å; I26-M29 PolarHBondContact O-N 2.83Å; I26-A30 VanDerWaalsContact O-CB 3.24Å; I26-A30 WeakPolarHBondContact O-CB 3.47Å; I26-A30 PolarHBondContact O-N 2.91Å; I26-M46 HydrophobicContact CG1-CE 4.38Å; I26-M46 HydrophobicContact CG2-CE 4.3Å; I26-Y48 HydrophobicContact CG2-CD1 4.13Å; I26-Y48 HydrophobicContact CG2-CE1 3.58Å; I26-V51 HydrophobicContact CD1-CB 4.32Å; I26-V51 HydrophobicContact CD1-CG1 3.82Å; I26-V51 HydrophobicContact CD1-CG2 4.18Å; I26-V51 HydrophobicContact CG1-CG1 3.87Å; I26-V51 HydrophobicContact CG1-CG2 4.4Å
27	A	84.8	Confident	84.4	Confident	42 Å²	42	77.1 Å²	77.1	35%	0.347	42%	0.423	S	S	.	.	H	α-helix	trans	-59.7	-43.4	-179.9	0	0	0	0	0	111.6	L23 T24 G31	L23-A27 PolarHBondContact O-N 2.92Å; L23-A27 VanDerWaalsContact O-N 3.16Å; T24-A27 PolarHBondContact O-N 3.43Å; A27-G31 PolarHBondContact O-N 2.98Å
28	I	88.1	Confident	86.3	Confident	119 Å²	119	79.2 Å²	79.2	61%	0.61	43%	0.43	S	S	*	.	H	α-helix	trans	-62.2	-48.3	176.9	-66.5	169.4	0	0	0	110.9	T24 I26 G31 R32	T24-I28 HydrophobicContact CG2-CD1 3.96Å; T24-I28 WeakPolarHBondContact O-CG1 3.48Å; T24-I28 PolarHBondContact O-N 3.47Å; T24-I28 VanDerWaalsContact O-N 3.12Å; I26-I28 VanDerWaalsContact C-N 3.32Å; I26-I28 PolarHBondContact O-N 2.74Å; I28-G31 PolarHBondContact O-N 3.39Å; I28-R32 PolarHBondContact O-N 3.32Å
29	M	90.6	Very high	87.9	Confident	62 Å²	62	78.2 Å²	78.2	31%	0.305	42%	0.423	S	S	.	.	H	α-helix	trans	-67.2	-44.5	-178.3	-174.7	76.3	-75.7	0	0	111.7	P25 I26 G31 R32 L33 M46	P25-M29 WeakPolarHBondContact O-CB 3.42Å; P25-M29 PolarHBondContact O-N 2.73Å; I26-M29 PolarHBondContact O-N 2.83Å; M29-G31 VanDerWaalsContact C-N 3.32Å; M29-G31 PolarHBondContact O-N 2.8Å; M29-R32 HydrophobicContact CE-CB 3.78Å; M29-R32 HydrophobicContact CE-CG 3.79Å; M29-R32 PolarHBondContact O-N 3.41Å; M29-L33 HydrophobicContact CE-CD1 4.49Å; M29-L33 HydrophobicContact CE-CD2 4.36Å; M29-L33 HydrophobicContact CE-CG 3.98Å; M29-L33 HydrophobicContact CG-CD1 4.11Å; M29-L33 WeakPolarHBondContact O-CG 3.45Å; M29-L33 PolarHBondContact O-N 3.11Å; M29-M46 HydrophobicContact CB-CE 4.1Å; M29-M46 HydrophobicContact CB-SD 3.85Å; M29-M46 HydrophobicContact CG-CE 4.02Å; M29-M46 HydrophobicContact CG-SD 3.38Å; M29-M46 WeakPolarHBondContact CG-SD 3.41Å
30	A	90.5	Very high	89.2	Confident	13 Å²	13	76.6 Å²	76.6	11%	0.107	41%	0.406	C	S	.	.	H	α-helix	trans	-60.3	-42.1	176.7	0	0	0	0	0	111.7	I26 L34 M46	I26-A30 VanDerWaalsContact O-CB 3.24Å; I26-A30 WeakPolarHBondContact O-CB 3.47Å; I26-A30 PolarHBondContact O-N 2.91Å; A30-L34 WeakPolarHBondContact O-CB 3.39Å; A30-L34 PolarHBondContact O-N 3.04Å; A30-M46 HydrophobicContact CB-CB 4.49Å; A30-M46 HydrophobicContact CB-CG 4.4Å
31	G	88.8	Confident	90.1	Very high	19 Å²	19	74.9 Å²	74.9	20%	0.196	42%	0.423	C	S	.	.	H	α-helix	trans	-62.4	-46.2	174.5	0	0	0	0	0	112.6	A27 I28 M29 L34 V35	A27-G31 PolarHBondContact O-N 2.98Å; I28-G31 PolarHBondContact O-N 3.39Å; M29-G31 VanDerWaalsContact C-N 3.32Å; M29-G31 PolarHBondContact O-N 2.8Å; G31-L34 WeakPolarHBondContact O-CB 3.4Å; G31-L34 PolarHBondContact O-N 3.11Å; G31-V35 WeakPolarHBondContact O-CG2 3.43Å; G31-V35 PolarHBondContact O-N 3.49Å
32	R	93.1	Very high	91	Very high	156 Å²	156	73.6 Å²	73.6	59%	0.589	42%	0.415	S	S	*	.	H	α-helix	trans	-59.9	-48.5	176.1	171.8	172.8	155.3	-171.4	-2.9	111.9	I28 M29 L34 V35 Q36	I28-R32 PolarHBondContact O-N 3.32Å; M29-R32 HydrophobicContact CE-CB 3.78Å; M29-R32 HydrophobicContact CE-CG 3.79Å; M29-R32 PolarHBondContact O-N 3.41Å; R32-L34 VanDerWaalsContact C-N 3.3Å; R32-L34 PolarHBondContact O-N 3.29Å; R32-V35 PolarHBondContact O-N 2.96Å; R32-Q36 WeakPolarHBondContact O-CG 3.27Å; R32-Q36 PolarHBondContact O-N 3.16Å
33	L	92.8	Very high	91.6	Very high	18 Å²	18	70.7 Å²	70.7	9%	0.094	41%	0.413	C	S	.	.	H	α-helix	trans	-64.1	-37	178.9	-67.9	170.7	0	0	0	111.3	M29 Q36 R37 D44 M46	M29-L33 HydrophobicContact CE-CD1 4.49Å; M29-L33 HydrophobicContact CE-CD2 4.36Å; M29-L33 HydrophobicContact CE-CG 3.98Å; M29-L33 HydrophobicContact CG-CD1 4.11Å; M29-L33 WeakPolarHBondContact O-CG 3.45Å; M29-L33 PolarHBondContact O-N 3.11Å; L33-Q36 PolarHBondContact O-N 2.93Å; L33-R37 WeakPolarHBondContact O-CG 3.36Å; L33-R37 PolarHBondContact O-N 3.47Å; L33-D44 HydrophobicContact CD2-CB 4Å; L33-M46 HydrophobicContact CD1-CB 3.98Å; L33-M46 HydrophobicContact CD1-SD 4Å
34	L	93.4	Very high	92.2	Very high	28 Å²	28	72.5 Å²	72.5	15%	0.147	42%	0.423	C	S	.	.	H	α-helix	trans	-59.7	-48.9	174.4	179.1	70.1	0	0	0	111.9	L8 L11 A30 G31 R32 Q36 R37 L38	L8-L34 HydrophobicContact CG-CD2 4.48Å; L11-L34 HydrophobicContact CD2-CD2 3.74Å; A30-L34 WeakPolarHBondContact O-CB 3.39Å; A30-L34 PolarHBondContact O-N 3.04Å; G31-L34 WeakPolarHBondContact O-CB 3.4Å; G31-L34 PolarHBondContact O-N 3.11Å; R32-L34 VanDerWaalsContact C-N 3.3Å; R32-L34 PolarHBondContact O-N 3.29Å; L34-Q36 VanDerWaalsContact C-N 3.28Å; L34-Q36 PolarHBondContact O-N 2.74Å; L34-R37 PolarHBondContact O-N 3.38Å; L34-L38 HydrophobicContact CD1-CD1 4.09Å; L34-L38 HydrophobicContact CD1-CG 4.22Å; L34-L38 HydrophobicContact CD2-CD1 4.43Å; L34-L38 HydrophobicContact CG-CD1 3.93Å; L34-L38 HydrophobicContact CG-CG 4.38Å; L34-L38 WeakPolarHBondContact O-CG 3.37Å; L34-L38 PolarHBondContact O-N 3.48Å
35	V	95.8	Very high	92.6	Very high	83 Å²	83	73.5 Å²	73.5	50%	0.503	42%	0.424	S	S	.	.	H	α-helix	trans	-60.3	-41.6	178.2	171.6	0	0	0	0	110.7	G31 R32 R37 L38 F39	G31-V35 WeakPolarHBondContact O-CG2 3.43Å; G31-V35 PolarHBondContact O-N 3.49Å; R32-V35 PolarHBondContact O-N 2.96Å; V35-R37 VanDerWaalsContact C-N 3.33Å; V35-R37 PolarHBondContact O-N 2.72Å; V35-L38 PolarHBondContact O-N 2.77Å; V35-F39 HydrophobicContact CG1-CD2 4.16Å; V35-F39 PolarHBondContact O-N 3.44Å
36	Q	94.8	Very high	92.8	Very high	63 Å²	63	70.6 Å²	70.6	29%	0.294	40%	0.403	S	S	.	.	H	α-helix	trans	-63.4	-35.6	176.6	-71.7	-179.5	-24.7	0	0	113	R32 L33 L34 G40 G41 S42	R32-Q36 WeakPolarHBondContact O-CG 3.27Å; R32-Q36 PolarHBondContact O-N 3.16Å; L33-Q36 PolarHBondContact O-N 2.93Å; L34-Q36 VanDerWaalsContact C-N 3.28Å; L34-Q36 PolarHBondContact O-N 2.74Å; Q36-G40 CarbonylContact O-C 3.2Å; Q36-G40 WeakPolarHBondContact O-CA 3.44Å; Q36-G40 PolarHBondContact O-N 3Å; Q36-G41 PolarHBondContact O-N 3.49Å; Q36-G41 VanDerWaalsContact O-N 3.15Å; Q36-S42 PolarHBondContact O-N 3Å
37	R	95.9	Very high	92.9	Very high	79 Å²	79	73.2 Å²	73.2	30%	0.298	42%	0.417	S	S	.	.	H	α-helix	trans	-71.4	-43.4	173.9	-68	-168.3	-61.9	-89.1	-1.6	112.6	L33 L34 V35 S42 D44	L33-R37 WeakPolarHBondContact O-CG 3.36Å; L33-R37 PolarHBondContact O-N 3.47Å; L34-R37 PolarHBondContact O-N 3.38Å; V35-R37 VanDerWaalsContact C-N 3.33Å; V35-R37 PolarHBondContact O-N 2.72Å; R37-S42 WeakPolarHBondContact CA-O 3.19Å; R37-S42 WeakPolarHBondContact CG-O 3.29Å; R37-D44 WeakPolarHBondContact CD-O 3.27Å; R37-D44 PolarHBondContact NH1-O 3Å
38	L	93.9	Very high	93.1	Very high	92 Å²	92	74.2 Å²	74.2	48%	0.482	41%	0.412	S	S	.	.	H	α-helix	trans	-71.1	-37.5	-176.5	-71	177	0	0	0	113	L34 V35	L34-L38 HydrophobicContact CD1-CD1 4.09Å; L34-L38 HydrophobicContact CD1-CG 4.22Å; L34-L38 HydrophobicContact CD2-CD1 4.43Å; L34-L38 HydrophobicContact CG-CD1 3.93Å; L34-L38 HydrophobicContact CG-CG 4.38Å; L34-L38 WeakPolarHBondContact O-CG 3.37Å; L34-L38 PolarHBondContact O-N 3.48Å; V35-L38 PolarHBondContact O-N 2.77Å
39	F	96.5	Very high	93.2	Very high	173 Å²	173	74 Å²	74	76%	0.759	41%	0.412	S	S	*	.	H	α-helix	trans	-126.9	-12.6	-169.2	-55.7	-71.1	0	0	0	114.3	V35	V35-F39 HydrophobicContact CG1-CD2 4.16Å; V35-F39 PolarHBondContact O-N 3.44Å
40	G	94.3	Very high	93.3	Very high	58 Å²	58	74 Å²	74	60%	0.598	41%	0.413	S	S	*	.	S	Bend	trans	-111.4	-0.3	-174.8	0	0	0	0	0	115.2	Q36 S42	Q36-G40 CarbonylContact O-C 3.2Å; Q36-G40 WeakPolarHBondContact O-CA 3.44Å; Q36-G40 PolarHBondContact O-N 3Å; G40-S42 PolarHBondContact O-N 3.14Å
41	G	94.8	Very high	93.6	Very high	76 Å²	76	75 Å²	75	78%	0.784	42%	0.418	S	S	*	.			trans	69.2	10.3	-179.9	0	0	0	0	0	115.2	Q36	Q36-G41 PolarHBondContact O-N 3.49Å; Q36-G41 VanDerWaalsContact O-N 3.15Å
42	S	96.3	Very high	93.9	Very high	31 Å²	31	76 Å²	76	22%	0.217	42%	0.421	C	S	.	.			trans	-72.1	151.9	173.3	171.5	0	0	0	0	110.6	Q36 R37 G40 D44	Q36-S42 PolarHBondContact O-N 3Å; R37-S42 WeakPolarHBondContact CA-O 3.19Å; R37-S42 WeakPolarHBondContact CG-O 3.29Å; G40-S42 PolarHBondContact O-N 3.14Å; S42-D44 WeakPolarHBondContact OG-CB 3.18Å; S42-D44 VanDerWaalsContact OG-CG 3.26Å; S42-D44 PolarHBondContact OG-N 3.2Å; S42-D44 PolarHBondContact OG-OD2 3.43Å
43	S	96.2	Very high	94.1	Very high	104 Å²	104	70.8 Å²	70.8	73%	0.727	41%	0.406	S	S	*	.			trans	-107.9	3.4	169.1	56.4	0	0	0	0	112.9	L45	S43-L45 PolarHBondContact O-N 3.26Å
44	D	94.8	Very high	94.3	Very high	92 Å²	92	71.5 Å²	71.5	49%	0.492	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-67.3	130.9	-172.3	-59.9	-36.9	0	0	0	110.9	L33 R37 S42	L33-D44 HydrophobicContact CD2-CB 4Å; R37-D44 WeakPolarHBondContact CD-O 3.27Å; R37-D44 PolarHBondContact NH1-O 3Å; S42-D44 WeakPolarHBondContact OG-CB 3.18Å; S42-D44 VanDerWaalsContact OG-CG 3.26Å; S42-D44 PolarHBondContact OG-N 3.2Å; S42-D44 PolarHBondContact OG-OD2 3.43Å
45	L	93	Very high	94.5	Very high	130 Å²	130	73.7 Å²	73.7	68%	0.681	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-101.7	156.1	176	-64.3	179.3	0	0	0	110.5	S43 D47	S43-L45 PolarHBondContact O-N 3.26Å; L45-D47 PolarHBondContact O-N 2.98Å
46	M	91.4	Very high	94.6	Very high	36 Å²	36	77.1 Å²	77.1	18%	0.177	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-68.7	126.2	171.2	-178.4	63.7	-174.3	0	0	108.3	I26 M29 A30 L33 Y48	I26-M46 HydrophobicContact CG1-CE 4.38Å; I26-M46 HydrophobicContact CG2-CE 4.3Å; M29-M46 HydrophobicContact CB-CE 4.1Å; M29-M46 HydrophobicContact CB-SD 3.85Å; M29-M46 HydrophobicContact CG-CE 4.02Å; M29-M46 HydrophobicContact CG-SD 3.38Å; M29-M46 WeakPolarHBondContact CG-SD 3.41Å; A30-M46 HydrophobicContact CB-CB 4.49Å; A30-M46 HydrophobicContact CB-CG 4.4Å; L33-M46 HydrophobicContact CD1-CB 3.98Å; L33-M46 HydrophobicContact CD1-SD 4Å; M46-Y48 HydrophobicContact CB-CD2 4.3Å; M46-Y48 HydrophobicContact CB-CE1 4.41Å; M46-Y48 HydrophobicContact CB-CE2 3.57Å; M46-Y48 HydrophobicContact CG-CD1 4.07Å; M46-Y48 HydrophobicContact CG-CD2 4.05Å; M46-Y48 HydrophobicContact CG-CE1 3.59Å; M46-Y48 HydrophobicContact CG-CE2 3.57Å; M46-Y48 HydrophobicContact CG-CG 4.28Å; M46-Y48 WeakPolarHBondContact O-CD2 3.1Å; M46-Y48 WeakPolarHBondContact O-CE2 3.35Å
47	D	90.8	Very high	94.6	Very high	64 Å²	64	77.3 Å²	77.3	34%	0.342	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-88.8	117.2	169.9	175.9	11.2	0	0	0	108.5	L45 D49 K138	L45-D47 PolarHBondContact O-N 2.98Å; D47-D49 WeakPolarHBondContact OD1-CB 3.19Å; D47-D49 PolarHBondContact OD1-N 3.33Å; D47-K138 WeakPolarHBondContact OD2-CE 3.4Å; D47-K138 IonicContact OD2-NZ 3.48Å; D47-K138 PolarHBondContact OD2-NZ 3.37Å
48	Y	90.2	Very high	94.5	Very high	62 Å²	62	80.5 Å²	80.5	24%	0.243	47%	0.471	C	S	.	.			trans	-98.8	-1.5	-178.7	-65.6	-83	0	0	0	112.5	R20 I26 M46	R20-Y48 HydrophobicContact CB-CD1 4.49Å; R20-Y48 HydrophobicContact CB-CE1 4.34Å; R20-Y48 VanDerWaalsContact CD-CE1 3.4Å; R20-Y48 HydrophobicContact CG-CE1 4.38Å; R20-Y48 PolarHBondContact NH1-OH 3.19Å; I26-Y48 HydrophobicContact CG2-CD1 4.13Å; I26-Y48 HydrophobicContact CG2-CE1 3.58Å; M46-Y48 HydrophobicContact CB-CD2 4.3Å; M46-Y48 HydrophobicContact CB-CE1 4.41Å; M46-Y48 HydrophobicContact CB-CE2 3.57Å; M46-Y48 HydrophobicContact CG-CD1 4.07Å; M46-Y48 HydrophobicContact CG-CD2 4.05Å; M46-Y48 HydrophobicContact CG-CE1 3.59Å; M46-Y48 HydrophobicContact CG-CE2 3.57Å; M46-Y48 HydrophobicContact CG-CG 4.28Å; M46-Y48 WeakPolarHBondContact O-CD2 3.1Å; M46-Y48 WeakPolarHBondContact O-CE2 3.35Å
49	D	90.3	Very high	94.6	Very high	115 Å²	115	78 Å²	78	62%	0.615	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	143.3	176.7	-67	-28.7	0	0	0	110.1	D47 V51	D47-D49 WeakPolarHBondContact OD1-CB 3.19Å; D47-D49 PolarHBondContact OD1-N 3.33Å; D49-V51 PolarHBondContact O-N 3.33Å; D49-V51 VanDerWaalsContact O-N 3.17Å
50	N	92.3	Very high	94.7	Very high	61 Å²	61	71.9 Å²	71.9	33%	0.326	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	38	175.6	-55.8	-44.1	0	0	0	114.1	P52 V64 G65 I137	N50-P52 WeakPolarHBondContact O-CD 3.4Å; N50-V64 HydrophobicContact CB-CG2 4.13Å; N50-V64 VanDerWaalsContact O-CG2 3.28Å; N50-V64 WeakPolarHBondContact O-CG2 3.19Å; N50-G65 WeakPolarHBondContact OD1-CA 3.37Å; N50-I137 HydrophobicContact CB-CG2 4.44Å
51	V	95.3	Very high	94.9	Very high	36 Å²	36	73 Å²	73	22%	0.218	42%	0.418	C	S	.	.			trans	-69.7	119.7	172.1	-178.2	0	0	0	0	109.2	L23 I26 D49	L23-V51 HydrophobicContact CD1-CG1 4.12Å; I26-V51 HydrophobicContact CD1-CB 4.32Å; I26-V51 HydrophobicContact CD1-CG1 3.82Å; I26-V51 HydrophobicContact CD1-CG2 4.18Å; I26-V51 HydrophobicContact CG1-CG1 3.87Å; I26-V51 HydrophobicContact CG1-CG2 4.4Å; D49-V51 PolarHBondContact O-N 3.33Å; D49-V51 VanDerWaalsContact O-N 3.17Å
52	P	97	Very high	95.1	Very high	38 Å²	38	69.3 Å²	69.3	25%	0.247	38%	0.381	C	S	.	.			trans	-67.3	142.7	177.8	27.7	-33.9	0	0	0	111.1	N50 C63 V64 T130 A134	N50-P52 WeakPolarHBondContact O-CD 3.4Å; P52-C63 WeakPolarHBondContact CA-O 3.22Å; P52-V64 HydrophobicContact CB-CB 4.12Å; P52-V64 HydrophobicContact CB-CG2 4.35Å; P52-T130 HydrophobicContact CB-CG2 4Å; P52-A134 HydrophobicContact CB-CB 3.76Å; P52-A134 HydrophobicContact CG-CB 3.71Å
53	T	96.3	Very high	95.2	Very high	47 Å²	47	69.1 Å²	69.1	29%	0.288	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	149.3	178.8	-55.2	0	0	0	0	109.5	L23 G62 C63	L23-T53 HydrophobicContact CD1-CG2 4.37Å; L23-T53 HydrophobicContact CD2-CG2 4.34Å; T53-G62 WeakPolarHBondContact O-CA 3.38Å; T53-C63 PolarHBondContact N-O 2.96Å; T53-C63 PolarHBondContact O-N 3.17Å
54	T	97.9	Very high	95.3	Very high	34 Å²	34	64.3 Å²	64.3	21%	0.209	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	133.4	172.2	-59.5	0	0	0	0	110.2	F56 Y61 A126 G127	T54-F56 HydrophobicContact CG2-CD1 4.21Å; T54-F56 HydrophobicContact CG2-CD2 4.49Å; T54-F56 HydrophobicContact CG2-CE1 3.84Å; T54-F56 HydrophobicContact CG2-CE2 4.15Å; T54-F56 HydrophobicContact CG2-CZ 3.81Å; T54-Y61 CarbonylContact C-O 3.49Å; T54-Y61 VanDerWaalsContact CA-O 3.26Å; T54-Y61 WeakPolarHBondContact CA-O 3.48Å; T54-A126 HydrophobicContact CG2-CB 4.41Å; T54-G127 VanDerWaalsContact OG1-CA 3.25Å; T54-G127 WeakPolarHBondContact OG1-CA 3.26Å
55	V	97.3	Very high	95.5	Very high	74 Å²	74	61.1 Å²	61.1	45%	0.448	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.1	173	-173.6	0	0	0	0	107.8	T57 Y61	V55-T57 VanDerWaalsContact C-N 3.26Å; V55-T57 HydrophobicContact CG1-CG2 4.13Å; V55-T57 PolarHBondContact O-N 2.82Å; V55-Y61 HydrophobicContact CB-CD1 4.48Å; V55-Y61 HydrophobicContact CG2-CD1 4.19Å; V55-Y61 PolarHBondContact N-O 3.47Å; V55-Y61 PolarHBondContact O-N 3.22Å
56	F	96.4	Very high	95.7	Very high	154 Å²	154	55.9 Å²	55.9	68%	0.675	31%	0.307	S	S	*	.			trans	-87.6	59	-175.7	-63.4	-82	0	0	0	112.1	T54 E60	T54-F56 HydrophobicContact CG2-CD1 4.21Å; T54-F56 HydrophobicContact CG2-CD2 4.49Å; T54-F56 HydrophobicContact CG2-CE1 3.84Å; T54-F56 HydrophobicContact CG2-CE2 4.15Å; T54-F56 HydrophobicContact CG2-CZ 3.81Å; F56-E60 HydrophobicContact CD1-CG 4.17Å
57	T	95.7	Very high	96	Very high	67 Å²	67	54.9 Å²	54.9	41%	0.411	30%	0.304	S	S	.	.	S	Bend	trans	-71	168.2	166.4	34.4	0	0	0	0	111.1	V55 L59 E60	V55-T57 VanDerWaalsContact C-N 3.26Å; V55-T57 HydrophobicContact CG1-CG2 4.13Å; V55-T57 PolarHBondContact O-N 2.82Å; T57-L59 WeakPolarHBondContact CB-O 3.41Å; T57-L59 CarbonylContact O-C 3.36Å; T57-L59 PolarHBondContact O-N 2.85Å; T57-L59 PolarHBondContact OG1-O 2.77Å; T57-E60 PolarHBondContact O-N 3.18Å
58	P	94.7	Very high	96.4	Very high	147 Å²	147	53.7 Å²	53.7	96%	0.955	30%	0.296	S	S	*	.	S	Bend	trans	-52.3	-31.5	176.6	-29.4	36.3	0	0	0	114.4
59	L	95.6	Very high	96.8	Very high	38 Å²	38	56.9 Å²	56.9	20%	0.199	31%	0.313	C	S	.	.	S	Bend	trans	-111.1	112.7	160.2	-169.6	66.3	0	0	0	107	T57 Q101 L122	T57-L59 WeakPolarHBondContact CB-O 3.41Å; T57-L59 CarbonylContact O-C 3.36Å; T57-L59 PolarHBondContact O-N 2.85Å; T57-L59 PolarHBondContact OG1-O 2.77Å; L59-Q101 HydrophobicContact CD2-CB 3.67Å; L59-L122 HydrophobicContact CD2-CD1 4Å; L59-L122 HydrophobicContact CD2-CD2 4.33Å; L59-L122 HydrophobicContact CD2-CG 3.83Å; L59-L122 HydrophobicContact CG-CD1 4.04Å; L59-L122 HydrophobicContact CG-CG 4.26Å
60	E	98.4	Very high	97.2	Very high	46 Å²	46	55.4 Å²	55.4	22%	0.215	30%	0.302	C	S	.	.			trans	-69	148	-172	-57.7	172.5	-168.7	0	0	111.7	F56 T57 L122 G123 N125 A126	F56-E60 HydrophobicContact CD1-CG 4.17Å; T57-E60 PolarHBondContact O-N 3.18Å; E60-L122 WeakPolarHBondContact O-CA 3.35Å; E60-L122 WeakPolarHBondContact O-CD1 3.45Å; E60-G123 WeakPolarHBondContact CB-O 3.42Å; E60-G123 PolarHBondContact O-N 3.06Å; E60-N125 VanDerWaalsContact OE2-CA 3.28Å; E60-N125 WeakPolarHBondContact OE2-CA 3.34Å; E60-N125 PolarHBondContact OE2-N 2.9Å; E60-A126 HydrophobicContact CB-CB 3.64Å; E60-A126 PolarHBondContact OE2-N 2.89Å
61	Y	98.6	Very high	97.5	Very high	80 Å²	80	52.5 Å²	52.5	31%	0.314	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.8	174.6	168.8	-118	0	0	0	110.3	T54 V55 C63 H120 F121	T54-Y61 CarbonylContact C-O 3.49Å; T54-Y61 VanDerWaalsContact CA-O 3.26Å; T54-Y61 WeakPolarHBondContact CA-O 3.48Å; V55-Y61 HydrophobicContact CB-CD1 4.48Å; V55-Y61 HydrophobicContact CG2-CD1 4.19Å; V55-Y61 PolarHBondContact N-O 3.47Å; V55-Y61 PolarHBondContact O-N 3.22Å; Y61-C63 HydrophobicContact CE1-CB 4.25Å; Y61-C63 HydrophobicContact CE2-CB 4.2Å; Y61-C63 WeakPolarHBondContact OH-CB 3.19Å; Y61-H120 HydrophobicContact CE2-CB 4.08Å; Y61-H120 AromaticContact CZ-ND1 3.88Å; Y61-H120 PolarHBondContact OH-ND1 2.89Å; Y61-F121 CarbonylContact C-O 3.58Å; Y61-F121 WeakPolarHBondContact CA-O 3.41Å
62	G	98.6	Very high	97.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.6	175.1	0	0	0	0	0	111	T53 F121 T130	T53-G62 WeakPolarHBondContact O-CA 3.38Å; G62-F121 PolarHBondContact N-O 3.38Å; G62-F121 PolarHBondContact O-N 3.5Å; G62-T130 WeakPolarHBondContact CA-OG1 3.24Å
63	C	98.6	Very high	97.7	Very high	27 Å²	27	54.9 Å²	54.9	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	155.3	173.9	64.5	0	0	0	0	113.1	P52 T53 Y61 L119 T130	P52-C63 WeakPolarHBondContact CA-O 3.22Å; T53-C63 PolarHBondContact N-O 2.96Å; T53-C63 PolarHBondContact O-N 3.17Å; Y61-C63 HydrophobicContact CE1-CB 4.25Å; Y61-C63 HydrophobicContact CE2-CB 4.2Å; Y61-C63 WeakPolarHBondContact OH-CB 3.19Å; C63-L119 CarbonylContact C-O 3.53Å; C63-L119 WeakPolarHBondContact CA-O 3.34Å; C63-T130 WeakPolarHBondContact O-CG2 3.39Å
64	V	98.4	Very high	97.8	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	141.9	171.9	54.1	0	0	0	0	109.2	N50 P52 G118 L119 T130 A134 I137	N50-V64 HydrophobicContact CB-CG2 4.13Å; N50-V64 VanDerWaalsContact O-CG2 3.28Å; N50-V64 WeakPolarHBondContact O-CG2 3.19Å; P52-V64 HydrophobicContact CB-CB 4.12Å; P52-V64 HydrophobicContact CB-CG2 4.35Å; V64-G118 CarbonylContact O-C 3.5Å; V64-G118 WeakPolarHBondContact O-CA 3.22Å; V64-L119 HydrophobicContact CG1-CB 3.95Å; V64-L119 PolarHBondContact N-O 2.96Å; V64-L119 PolarHBondContact O-N 3.25Å; V64-T130 HydrophobicContact CB-CG2 4.11Å; V64-T130 HydrophobicContact CG1-CG2 4Å; V64-A134 HydrophobicContact CB-CB 4.26Å; V64-A134 HydrophobicContact CG1-CB 4.38Å; V64-A134 HydrophobicContact CG2-CB 3.84Å; V64-I137 HydrophobicContact CG1-CD1 3.53Å; V64-I137 HydrophobicContact CG2-CD1 4.45Å
65	G	97.6	Very high	97.8	Very high	25 Å²	25	62.2 Å²	62.2	26%	0.258	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	79.8	-156.1	-179.4	0	0	0	0	0	113.5	N50 L117	N50-G65 WeakPolarHBondContact OD1-CA 3.37Å; G65-L117 CarbonylContact C-O 3.6Å; G65-L117 WeakPolarHBondContact CA-O 3.43Å
66	L	98.3	Very high	97.8	Very high	20 Å²	20	60 Å²	60	11%	0.105	32%	0.324	C	S	.	.			trans	-74.8	143.3	-172.3	-58	-175.6	0	0	0	111.8	E70 A71 R74 L117 H120	L66-E70 HydrophobicContact CB-CB 4.35Å; L66-A71 HydrophobicContact CB-CB 4.21Å; L66-A71 HydrophobicContact CD1-CB 4.18Å; L66-R74 VanDerWaalsContact CD2-CZ 3.45Å; L66-L117 HydrophobicContact CD1-CB 4.35Å; L66-L117 HydrophobicContact CD1-CD1 4.49Å; L66-L117 PolarHBondContact N-O 3.44Å; L66-H120 PolarHBondContact O-NE2 3.34Å; L66-H120 VanDerWaalsContact O-NE2 3.14Å
67	S	98.4	Very high	97.9	Very high	16 Å²	16	57.9 Å²	57.9	11%	0.112	32%	0.316	C	S	.	.			trans	-66.4	167.8	160	81.8	0	0	0	0	111.4	E69 E70 A71	S67-E69 WeakPolarHBondContact CB-OE1 3.35Å; S67-E69 VanDerWaalsContact OG-CG 3.29Å; S67-E69 WeakPolarHBondContact OG-CG 3.4Å; S67-E69 PolarHBondContact OG-OE1 3.17Å; S67-E69 PolarHBondContact OG-OE2 3.41Å; S67-E70 PolarHBondContact N-OE2 3.29Å; S67-E70 PolarHBondContact O-N 2.93Å; S67-E70 WeakPolarHBondContact OG-CB 3.46Å; S67-E70 WeakPolarHBondContact OG-CG 3.27Å; S67-E70 PolarHBondContact OG-N 2.93Å; S67-E70 PolarHBondContact OG-OE2 3.4Å; S67-A71 WeakPolarHBondContact O-CB 3.21Å; S67-A71 PolarHBondContact O-N 2.9Å
68	E	98.4	Very high	98	Very high	38 Å²	38	60.1 Å²	60.1	18%	0.178	32%	0.322	C	S	.	.	H	α-helix	trans	-67.1	-45.7	-178.8	175.5	174.5	162.7	0	0	110.9	E70 A71 V72 V82 K105 V107 K167	E68-E70 VanDerWaalsContact C-N 3.34Å; E68-E70 PolarHBondContact O-N 3.44Å; E68-A71 PolarHBondContact O-N 3.49Å; E68-V72 WeakPolarHBondContact O-CB 3.38Å; E68-V72 VanDerWaalsContact O-CG2 3.28Å; E68-V72 WeakPolarHBondContact O-CG2 3.07Å; E68-V72 PolarHBondContact O-N 3.27Å; E68-V82 HydrophobicContact CG-CG2 3.86Å; E68-K105 IonicContact OE2-NZ 3.77Å; E68-K105 PolarHBondContact OE2-NZ 3.3Å; E68-V107 HydrophobicContact CB-CG2 4.35Å; E68-K167 WeakPolarHBondContact OE1-CD 3.38Å; E68-K167 IonicContact OE1-NZ 2.77Å; E68-K167 PolarHBondContact OE1-NZ 2.73Å; E68-K167 IonicContact OE2-NZ 3.39Å; E68-K167 PolarHBondContact OE2-NZ 3.04Å
69	E	98.4	Very high	98.2	Very high	129 Å²	129	57.7 Å²	57.7	60%	0.603	30%	0.297	S	S	*	.	H	α-helix	trans	-63.2	-37.7	175.8	59.9	-78.6	-177.1	0	0	112.4	S67 A73	S67-E69 WeakPolarHBondContact CB-OE1 3.35Å; S67-E69 VanDerWaalsContact OG-CG 3.29Å; S67-E69 WeakPolarHBondContact OG-CG 3.4Å; S67-E69 PolarHBondContact OG-OE1 3.17Å; S67-E69 PolarHBondContact OG-OE2 3.41Å; E69-A73 VanDerWaalsContact O-CB 3.29Å; E69-A73 WeakPolarHBondContact O-CB 2.97Å; E69-A73 PolarHBondContact O-N 2.68Å
70	E	98.2	Very high	98.3	Very high	85 Å²	85	56.1 Å²	56.1	40%	0.397	29%	0.289	S	S	.	.	H	α-helix	trans	-68.2	-43	173.9	-73.6	176.4	144.5	0	0	112.1	L66 S67 E68 V72 A73 R74	L66-E70 HydrophobicContact CB-CB 4.35Å; S67-E70 PolarHBondContact N-OE2 3.29Å; S67-E70 PolarHBondContact O-N 2.93Å; S67-E70 WeakPolarHBondContact OG-CB 3.46Å; S67-E70 WeakPolarHBondContact OG-CG 3.27Å; S67-E70 PolarHBondContact OG-N 2.93Å; S67-E70 PolarHBondContact OG-OE2 3.4Å; E68-E70 VanDerWaalsContact C-N 3.34Å; E68-E70 PolarHBondContact O-N 3.44Å; E70-V72 VanDerWaalsContact C-N 3.33Å; E70-V72 PolarHBondContact O-N 2.94Å; E70-A73 PolarHBondContact O-N 2.95Å; E70-R74 WeakPolarHBondContact O-CB 3.28Å; E70-R74 VanDerWaalsContact O-CG 3.28Å; E70-R74 WeakPolarHBondContact O-CG 3.49Å; E70-R74 PolarHBondContact O-N 2.95Å
71	A	98.4	Very high	98.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-43.4	176.7	0	0	0	0	0	111.1	L66 S67 E68 R74 H75 V80 V107 L117	L66-A71 HydrophobicContact CB-CB 4.21Å; L66-A71 HydrophobicContact CD1-CB 4.18Å; S67-A71 WeakPolarHBondContact O-CB 3.21Å; S67-A71 PolarHBondContact O-N 2.9Å; E68-A71 PolarHBondContact O-N 3.49Å; A71-R74 PolarHBondContact O-N 3.43Å; A71-H75 WeakPolarHBondContact O-CB 3.16Å; A71-H75 PolarHBondContact O-CD2 3.47Å; A71-H75 PolarHBondContact O-N 3Å; A71-V80 HydrophobicContact CB-CG1 4.35Å; A71-V80 HydrophobicContact CB-CG2 4.15Å; A71-V107 HydrophobicContact CB-CG1 3.56Å; A71-L117 HydrophobicContact CB-CD1 4.1Å
72	V	98.4	Very high	98.3	Very high	37 Å²	37	51.5 Å²	51.5	22%	0.224	27%	0.271	C	S	.	.	H	α-helix	trans	-64.8	-42.1	175.7	170.1	0	0	0	0	111.3	E68 E70 R74 G76 Q77 V80	E68-V72 WeakPolarHBondContact O-CB 3.38Å; E68-V72 VanDerWaalsContact O-CG2 3.28Å; E68-V72 WeakPolarHBondContact O-CG2 3.07Å; E68-V72 PolarHBondContact O-N 3.27Å; E70-V72 VanDerWaalsContact C-N 3.33Å; E70-V72 PolarHBondContact O-N 2.94Å; V72-R74 VanDerWaalsContact C-N 3.31Å; V72-R74 PolarHBondContact O-N 3.32Å; V72-G76 WeakPolarHBondContact O-CA 3.23Å; V72-G76 PolarHBondContact O-N 3.28Å; V72-Q77 HydrophobicContact CG1-CB 4.15Å; V72-V80 HydrophobicContact CG2-CB 4.32Å; V72-V80 HydrophobicContact CG2-CG1 4.41Å; V72-V80 HydrophobicContact CG2-CG2 4.37Å
73	A	98.4	Very high	98.3	Very high	87 Å²	87	52.9 Å²	52.9	72%	0.719	28%	0.277	S	S	*	.	H	α-helix	trans	-63.5	-36.5	177.1	0	0	0	0	0	112.6	E69 E70	E69-A73 VanDerWaalsContact O-CB 3.29Å; E69-A73 WeakPolarHBondContact O-CB 2.97Å; E69-A73 PolarHBondContact O-N 2.68Å; E70-A73 PolarHBondContact O-N 2.95Å
74	R	98.1	Very high	98.3	Very high	162 Å²	162	52.4 Å²	52.4	61%	0.611	27%	0.272	S	S	*	.	H	α-helix	trans	-83	-38.5	-178.1	-69.1	-178.2	-164.4	-158.8	7	113.8	L66 E70 A71 V72	L66-R74 VanDerWaalsContact CD2-CZ 3.45Å; E70-R74 WeakPolarHBondContact O-CB 3.28Å; E70-R74 VanDerWaalsContact O-CG 3.28Å; E70-R74 WeakPolarHBondContact O-CG 3.49Å; E70-R74 PolarHBondContact O-N 2.95Å; A71-R74 PolarHBondContact O-N 3.43Å; V72-R74 VanDerWaalsContact C-N 3.31Å; V72-R74 PolarHBondContact O-N 3.32Å
75	H	98.1	Very high	98.3	Very high	72 Å²	72	52.8 Å²	52.8	33%	0.333	28%	0.275	S	S	.	.	H	α-helix	trans	-113.2	-13.9	-170	-58.8	-74.5	0	0	0	113.6	A71 H79 V80 L109	A71-H75 WeakPolarHBondContact O-CB 3.16Å; A71-H75 PolarHBondContact O-CD2 3.47Å; A71-H75 PolarHBondContact O-N 3Å; H75-H79 HydrophobicContact CB-CB 4.36Å; H75-H79 WeakPolarHBondContact O-CB 3.45Å; H75-H79 PolarHBondContact O-CD2 3.23Å; H75-V80 HydrophobicContact CB-CG2 4.12Å; H75-L109 HydrophobicContact CB-CD2 4.25Å
76	G	98.3	Very high	98.2	Very high	29 Å²	29	54.4 Å²	54.4	30%	0.299	28%	0.276	S	S	.	.			trans	84.9	143.4	-174.5	0	0	0	0	0	112.7	V72 E78 H79	V72-G76 WeakPolarHBondContact O-CA 3.23Å; V72-G76 PolarHBondContact O-N 3.28Å; G76-E78 PolarHBondContact O-N 2.9Å; G76-E78 VanDerWaalsContact O-N 3.09Å; G76-H79 PolarHBondContact O-N 3.15Å
77	Q	97.9	Very high	98	Very high	108 Å²	108	53.9 Å²	53.9	51%	0.505	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-53	-35.5	-177.2	-176.2	65	25.6	0	0	112.8	V72 H79 R168	V72-Q77 HydrophobicContact CG1-CB 4.15Å; Q77-H79 VanDerWaalsContact C-N 3.27Å; Q77-H79 PolarHBondContact O-N 3.2Å; Q77-R168 PolarHBondContact O-NH2 3.13Å
78	E	97.9	Very high	97.8	Very high	115 Å²	115	58.4 Å²	58.4	54%	0.537	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-74.3	-15.5	-177.4	-55.7	-52.6	158.6	0	0	114.4	G76 R110 R168	G76-E78 PolarHBondContact O-N 2.9Å; G76-E78 VanDerWaalsContact O-N 3.09Å; E78-R110 VanDerWaalsContact O-CD 3.28Å; E78-R110 WeakPolarHBondContact O-CD 3.25Å; E78-R110 PolarHBondContact O-NH1 2.93Å; E78-R168 IonicContact OE2-NH1 2.78Å; E78-R168 PolarHBondContact OE2-NH1 3.34Å
79	H	98.3	Very high	97.7	Very high	95 Å²	95	56.7 Å²	56.7	44%	0.44	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-101.9	-4.8	-179	-61.9	-81.4	0	0	0	113.1	H75 G76 Q77 L109 R110	H75-H79 HydrophobicContact CB-CB 4.36Å; H75-H79 WeakPolarHBondContact O-CB 3.45Å; H75-H79 PolarHBondContact O-CD2 3.23Å; G76-H79 PolarHBondContact O-N 3.15Å; Q77-H79 VanDerWaalsContact C-N 3.27Å; Q77-H79 PolarHBondContact O-N 3.2Å; H79-L109 CarbonylContact O-C 3.59Å; H79-L109 WeakPolarHBondContact O-CA 3.31Å; H79-R110 PolarHBondContact O-N 2.9Å
80	V	98.7	Very high	97.4	Very high	5 Å²	5	55 Å²	55	3%	0.03	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.8	-178.7	-180	0	0	0	0	110.9	A71 V72 H75 V82 V107 C108 R110 R168	A71-V80 HydrophobicContact CB-CG1 4.35Å; A71-V80 HydrophobicContact CB-CG2 4.15Å; V72-V80 HydrophobicContact CG2-CB 4.32Å; V72-V80 HydrophobicContact CG2-CG1 4.41Å; V72-V80 HydrophobicContact CG2-CG2 4.37Å; H75-V80 HydrophobicContact CB-CG2 4.12Å; V80-V82 HydrophobicContact CG1-CG2 4.13Å; V80-V107 HydrophobicContact CG1-CG1 3.78Å; V80-C108 WeakPolarHBondContact CA-O 3.15Å; V80-R110 WeakPolarHBondContact O-CD 3.41Å; V80-R168 PolarHBondContact O-NH2 3.43Å
81	E	98.7	Very high	97.1	Very high	21 Å²	21	56.5 Å²	56.5	10%	0.098	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.2	167.4	-161.4	64	-105.1	0	0	109.2	Y83 C108 R110 S166 R168	E81-Y83 HydrophobicContact CB-CE2 4.12Å; E81-Y83 HydrophobicContact CG-CD2 4.32Å; E81-Y83 HydrophobicContact CG-CE1 4.39Å; E81-Y83 HydrophobicContact CG-CE2 3.68Å; E81-C108 PolarHBondContact N-O 2.85Å; E81-C108 PolarHBondContact O-N 3.36Å; E81-R110 HydrophobicContact CB-CG 3.68Å; E81-R110 IonicContact OE2-NE 3.63Å; E81-R110 PolarHBondContact OE2-NE 2.88Å; E81-S166 VanDerWaalsContact OE1-CB 3.22Å; E81-S166 WeakPolarHBondContact OE1-CB 3.41Å; E81-S166 PolarHBondContact OE1-OG 3.07Å; E81-R168 WeakPolarHBondContact OE1-CB 3.43Å; E81-R168 IonicContact OE1-NE 3.01Å; E81-R168 IonicContact OE2-NE 3.94Å
82	V	98.8	Very high	96.9	Very high	9 Å²	9	57.7 Å²	57.7	6%	0.055	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	111.4	179.3	-177.3	0	0	0	0	108.5	E68 V80 K105 M106 S166 K167	E68-V82 HydrophobicContact CG-CG2 3.86Å; V80-V82 HydrophobicContact CG1-CG2 4.13Å; V82-K105 HydrophobicContact CG1-CB 4.24Å; V82-K105 HydrophobicContact CG1-CD 4.34Å; V82-M106 WeakPolarHBondContact CA-O 3.47Å; V82-S166 CarbonylContact O-C 3.56Å; V82-S166 WeakPolarHBondContact O-CA 3.42Å; V82-K167 HydrophobicContact CB-CB 4.38Å; V82-K167 HydrophobicContact CB-CD 4.03Å; V82-K167 HydrophobicContact CB-CG 4.23Å; V82-K167 HydrophobicContact CG1-CD 3.88Å; V82-K167 HydrophobicContact CG1-CG 4.22Å; V82-K167 PolarHBondContact O-N 3.48Å
83	Y	98.6	Very high	96.4	Very high	28 Å²	28	59.2 Å²	59.2	11%	0.11	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	138.4	173.4	-61.2	-86.7	0	0	0	110	E81 K105 M106 C108 Y143 I165	E81-Y83 HydrophobicContact CB-CE2 4.12Å; E81-Y83 HydrophobicContact CG-CD2 4.32Å; E81-Y83 HydrophobicContact CG-CE1 4.39Å; E81-Y83 HydrophobicContact CG-CE2 3.68Å; Y83-K105 CarbonylContact O-C 3.52Å; Y83-K105 WeakPolarHBondContact O-CA 3.4Å; Y83-M106 PolarHBondContact N-O 2.97Å; Y83-M106 PolarHBondContact O-N 3.46Å; Y83-C108 HydrophobicContact CE2-CB 4.5Å; Y83-Y143 AromaticContact CD1-CE2 3.8Å; Y83-Y143 HydrophobicContact CD1-CE2 3.8Å; Y83-Y143 AromaticContact CD1-CZ 3.98Å; Y83-Y143 AromaticContact CD2-CD2 3.66Å; Y83-Y143 HydrophobicContact CD2-CD2 3.66Å; Y83-Y143 AromaticContact CD2-CE2 3.59Å; Y83-Y143 HydrophobicContact CD2-CE2 3.59Å; Y83-Y143 HydrophobicContact CD2-CG 4.42Å; Y83-Y143 HydrophobicContact CE1-CE1 4.22Å; Y83-Y143 AromaticContact CE1-CE2 3.8Å; Y83-Y143 HydrophobicContact CE1-CE2 3.8Å; Y83-Y143 AromaticContact CE1-CZ 3.57Å; Y83-Y143 WeakPolarHBondContact CE1-OH 3.33Å; Y83-Y143 HydrophobicContact CE2-CD1 4.24Å; Y83-Y143 AromaticContact CE2-CD2 3.57Å; Y83-Y143 HydrophobicContact CE2-CD2 3.57Å; Y83-Y143 HydrophobicContact CE2-CE1 4.27Å; Y83-Y143 AromaticContact CE2-CE2 3.59Å; Y83-Y143 HydrophobicContact CE2-CE2 3.59Å; Y83-Y143 AromaticContact CE2-CG 3.9Å; Y83-Y143 HydrophobicContact CE2-CG 3.9Å; Y83-Y143 AromaticContact CE2-CZ 3.95Å; Y83-Y143 HydrophobicContact CG-CD2 4.22Å; Y83-Y143 AromaticContact CG-CE2 3.69Å; Y83-Y143 HydrophobicContact CG-CE2 3.69Å; Y83-Y143 AromaticContact CZ-CE1 3.82Å; Y83-Y143 AromaticContact CZ-CE2 3.69Å; Y83-Y143 AromaticContact CZ-CZ 3.55Å; Y83-I165 CarbonylContact C-O 3.53Å; Y83-I165 VanDerWaalsContact CA-O 3.25Å; Y83-I165 WeakPolarHBondContact CA-O 3.05Å
84	H	98.4	Very high	95.8	Very high	17 Å²	17	61.5 Å²	61.5	8%	0.079	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	157.4	-174.1	69.1	156.5	0	0	0	114.1	Y103 V104 K105 I165	H84-Y103 HydrophobicContact CB-CE2 3.96Å; H84-Y103 WeakPolarHBondContact CB-OH 3.35Å; H84-Y103 AromaticContact ND1-CE2 3.77Å; H84-Y103 AromaticContact ND1-CZ 3.68Å; H84-Y103 PolarHBondContact ND1-OH 3.31Å; H84-V104 VanDerWaalsContact CA-O 3.23Å; H84-V104 WeakPolarHBondContact CA-O 3.44Å; H84-V104 WeakPolarHBondContact CB-O 3.19Å; H84-K105 HydrophobicContact CB-CB 3.91Å; H84-I165 PolarHBondContact CD2-O 2.87Å; H84-I165 PolarHBondContact N-O 2.87Å
85	A	97.2	Very high	95.4	Very high	11 Å²	11	56.6 Å²	56.6	9%	0.091	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	147.4	174.3	0	0	0	0	0	111.2	Y103 V104 L163 P173 V175	A85-Y103 WeakPolarHBondContact O-CA 3.47Å; A85-Y103 VanDerWaalsContact O-CD2 3.32Å; A85-Y103 WeakPolarHBondContact O-CD2 3.49Å; A85-V104 HydrophobicContact CB-CG1 4.31Å; A85-V104 PolarHBondContact N-O 2.86Å; A85-V104 PolarHBondContact O-N 2.61Å; A85-L163 HydrophobicContact CB-CD2 3.82Å; A85-P173 WeakPolarHBondContact CA-O 3.46Å; A85-V175 HydrophobicContact CB-CG2 4.49Å
86	H	96.2	Very high	94.9	Very high	58 Å²	58	56.5 Å²	56.5	27%	0.269	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	147.9	155	-71.3	-85.4	0	0	0	109.3	S100 C102 Y103 P173 V175	H86-S100 PolarHBondContact ND1-O 3.02Å; H86-S100 VanDerWaalsContact ND1-O 3.14Å; H86-C102 WeakPolarHBondContact CA-O 3.46Å; H86-C102 PolarHBondContact ND1-O 2.95Å; H86-Y103 AromaticContact CD2-CD2 3.95Å; H86-Y103 AromaticContact CE1-CD2 3.67Å; H86-Y103 AromaticContact CG-CD2 4Å; H86-Y103 AromaticContact ND1-CD2 3.83Å; H86-Y103 AromaticContact NE2-CD2 3.72Å; H86-P173 PolarHBondContact N-O 3.27Å; H86-V175 WeakPolarHBondContact O-CG2 3.36Å
87	Y	95.1	Very high	94.5	Very high	9 Å²	9	62.5 Å²	62.5	4%	0.035	33%	0.33	C	S	.	.			trans	-142.8	166.2	179.2	70.9	-81.4	0	0	0	111.1	P89 C102 V104 F121 L122 G123 C156 E159	Y87-P89 HydrophobicContact CD2-CG 4.46Å; Y87-P89 HydrophobicContact CE2-CG 4.01Å; Y87-C102 HydrophobicContact CD1-CB 4.03Å; Y87-C102 HydrophobicContact CD2-CB 4.33Å; Y87-C102 HydrophobicContact CE1-CB 3.78Å; Y87-C102 HydrophobicContact CE2-CB 4.1Å; Y87-C102 HydrophobicContact CG-CB 4.3Å; Y87-C102 PolarHBondContact N-O 3.25Å; Y87-C102 WeakPolarHBondContact O-CB 3.38Å; Y87-V104 HydrophobicContact CD1-CG1 4.09Å; Y87-V104 HydrophobicContact CE1-CB 4.49Å; Y87-V104 HydrophobicContact CE1-CG1 4.43Å; Y87-F121 HydrophobicContact CE1-CE2 4.22Å; Y87-F121 HydrophobicContact CE1-CZ 4.34Å; Y87-F121 HydrophobicContact CE2-CZ 4.29Å; Y87-F121 AromaticContact CZ-CE2 3.95Å; Y87-F121 AromaticContact CZ-CZ 3.64Å; Y87-F121 WeakPolarHBondContact OH-CE1 3.25Å; Y87-F121 WeakPolarHBondContact OH-CZ 3.21Å; Y87-L122 PolarHBondContact OH-O 3.33Å; Y87-G123 WeakPolarHBondContact OH-CA 3.25Å; Y87-C156 HydrophobicContact CE2-CB 3.87Å; Y87-E159 HydrophobicContact CD1-CG 4.46Å; Y87-E159 HydrophobicContact CD2-CG 3.79Å; Y87-E159 HydrophobicContact CG-CB 4.36Å; Y87-E159 HydrophobicContact CG-CG 3.73Å
88	K	94.3	Very high	94	Very high	112 Å²	112	62.5 Å²	62.5	49%	0.487	33%	0.333	S	S	.	.			trans	-125.9	113.5	178.7	-178.4	166.2	-171.8	-175.9	0	110.2	L90 T93 A99	K88-L90 PolarHBondContact O-N 3.13Å; K88-T93 VanDerWaalsContact CE-OG1 3.27Å; K88-T93 WeakPolarHBondContact CE-OG1 3.49Å; K88-A99 HydrophobicContact CB-CB 4Å; K88-A99 HydrophobicContact CD-CB 4.18Å; K88-A99 HydrophobicContact CG-CB 3.61Å
89	P	94.6	Very high	93.6	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.013	31%	0.312	C	S	.	.			trans	-53	135.8	169.8	-25.8	34.3	0	0	0	111	Y87 E91 F92 P124	Y87-P89 HydrophobicContact CD2-CG 4.46Å; Y87-P89 HydrophobicContact CE2-CG 4.01Å; P89-E91 PolarHBondContact O-N 2.94Å; P89-F92 HydrophobicContact CB-CB 4.31Å; P89-F92 HydrophobicContact CB-CD1 4.03Å; P89-F92 HydrophobicContact CB-CD2 4.48Å; P89-F92 HydrophobicContact CB-CE1 4.47Å; P89-F92 HydrophobicContact CB-CG 4.02Å; P89-F92 HydrophobicContact CG-CD1 4.39Å; P89-F92 HydrophobicContact CG-CD2 4.13Å; P89-F92 HydrophobicContact CG-CE2 4.29Å; P89-F92 HydrophobicContact CG-CG 4.18Å; P89-F92 HydrophobicContact CG-CZ 4.49Å; P89-F92 WeakPolarHBondContact O-CB 3.21Å; P89-F92 PolarHBondContact O-N 3.24Å; P89-P124 HydrophobicContact CB-CG 4.13Å; P89-P124 HydrophobicContact CG-CG 3.66Å
90	L	93	Very high	93.1	Very high	94 Å²	94	56.4 Å²	56.4	49%	0.492	32%	0.315	S	S	.	.	H	α-helix	trans	-59	-38.8	-179.8	178.6	61	0	0	0	110.9	K88 F92 T93 P154	K88-L90 PolarHBondContact O-N 3.13Å; L90-F92 PolarHBondContact O-N 3.28Å; L90-T93 WeakPolarHBondContact O-CB 3.49Å; L90-T93 PolarHBondContact O-N 3.16Å; L90-P154 HydrophobicContact CB-CB 4.48Å; L90-P154 HydrophobicContact CD2-CB 3.68Å; L90-P154 HydrophobicContact CD2-CG 3.54Å
91	E	91.9	Very high	92.7	Very high	115 Å²	115	62 Å²	62	54%	0.537	34%	0.34	S	S	.	.	H	α-helix	trans	-59.2	-30	178.5	-58.9	78.6	-173.1	0	0	112.2	P89 T93 A95	P89-E91 PolarHBondContact O-N 2.94Å; E91-T93 VanDerWaalsContact C-N 3.35Å; E91-A95 WeakPolarHBondContact O-CB 3.28Å; E91-A95 PolarHBondContact O-N 3.16Å
92	F	93.1	Very high	92.7	Very high	25 Å²	25	61 Å²	61	11%	0.11	34%	0.336	C	S	.	.	H	α-helix	trans	-78.2	-24.7	179.9	-75.4	21.2	0	0	0	111.5	P89 L90 G96 R97 D98 A99 P124	P89-F92 HydrophobicContact CB-CB 4.31Å; P89-F92 HydrophobicContact CB-CD1 4.03Å; P89-F92 HydrophobicContact CB-CD2 4.48Å; P89-F92 HydrophobicContact CB-CE1 4.47Å; P89-F92 HydrophobicContact CB-CG 4.02Å; P89-F92 HydrophobicContact CG-CD1 4.39Å; P89-F92 HydrophobicContact CG-CD2 4.13Å; P89-F92 HydrophobicContact CG-CE2 4.29Å; P89-F92 HydrophobicContact CG-CG 4.18Å; P89-F92 HydrophobicContact CG-CZ 4.49Å; P89-F92 WeakPolarHBondContact O-CB 3.21Å; P89-F92 PolarHBondContact O-N 3.24Å; L90-F92 PolarHBondContact O-N 3.28Å; F92-G96 PolarHBondContact O-N 2.78Å; F92-G96 VanDerWaalsContact O-N 3.08Å; F92-R97 HydrophobicContact CB-CB 3.87Å; F92-R97 HydrophobicContact CD1-CB 4.28Å; F92-R97 HydrophobicContact CD2-CB 3.94Å; F92-R97 HydrophobicContact CG-CB 3.77Å; F92-R97 PolarHBondContact O-N 3.41Å; F92-D98 WeakPolarHBondContact CD2-O 3.36Å; F92-A99 HydrophobicContact CB-CB 4.49Å; F92-A99 HydrophobicContact CD2-CB 3.91Å; F92-P124 HydrophobicContact CE1-CG 4.48Å; F92-P124 HydrophobicContact CZ-CG 4.37Å
93	T	87.9	Confident	92.6	Very high	69 Å²	69	62.8 Å²	62.8	42%	0.423	34%	0.342	S	S	.	.	H	α-helix	trans	-67	-50.9	-179.6	-57.1	0	0	0	0	111.4	K88 L90 E91 A95 G96	K88-T93 VanDerWaalsContact CE-OG1 3.27Å; K88-T93 WeakPolarHBondContact CE-OG1 3.49Å; L90-T93 WeakPolarHBondContact O-CB 3.49Å; L90-T93 PolarHBondContact O-N 3.16Å; E91-T93 VanDerWaalsContact C-N 3.35Å; T93-A95 VanDerWaalsContact C-N 3.35Å; T93-G96 PolarHBondContact O-N 2.94Å
94	V	87.5	Confident	92.6	Very high	136 Å²	136	61.4 Å²	61.4	82%	0.824	34%	0.336	S	S	*	.	H	α-helix	trans	-67.8	-38.4	179.1	-179.8	0	0	0	0	111.1	G96	V94-G96 PolarHBondContact O-N 3.48Å
95	A	89.1	Confident	92.6	Very high	59 Å²	59	62 Å²	62	49%	0.488	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-2	-179.7	0	0	0	0	0	114.1	E91 T93 R97	E91-A95 WeakPolarHBondContact O-CB 3.28Å; E91-A95 PolarHBondContact O-N 3.16Å; T93-A95 VanDerWaalsContact C-N 3.35Å; A95-R97 HydrophobicContact CB-CG 3.89Å; A95-R97 PolarHBondContact O-N 2.8Å
96	G	87.5	Confident	92.7	Very high	69 Å²	69	61.6 Å²	61.6	71%	0.711	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	26.3	-176.9	0	0	0	0	0	113.9	F92 T93 V94	F92-G96 PolarHBondContact O-N 2.78Å; F92-G96 VanDerWaalsContact O-N 3.08Å; T93-G96 PolarHBondContact O-N 2.94Å; V94-G96 PolarHBondContact O-N 3.48Å
97	R	89.1	Confident	92.8	Very high	156 Å²	156	58.9 Å²	58.9	59%	0.589	32%	0.322	S	S	*	.			trans	-80.9	145	-179.2	-67.3	178.9	-177.6	-174	1.2	110.5	F92 A95 A99	F92-R97 HydrophobicContact CB-CB 3.87Å; F92-R97 HydrophobicContact CD1-CB 4.28Å; F92-R97 HydrophobicContact CD2-CB 3.94Å; F92-R97 HydrophobicContact CG-CB 3.77Å; F92-R97 PolarHBondContact O-N 3.41Å; A95-R97 HydrophobicContact CB-CG 3.89Å; A95-R97 PolarHBondContact O-N 2.8Å; R97-A99 PolarHBondContact O-N 2.85Å
98	D	88.6	Confident	93	Very high	108 Å²	108	58.4 Å²	58.4	58%	0.578	32%	0.321	S	S	*	.			trans	-67.7	130.2	171.1	-177.3	20	0	0	0	110.2	F92 S100	F92-D98 WeakPolarHBondContact CD2-O 3.36Å; D98-S100 VanDerWaalsContact CG-OG 3.26Å; D98-S100 WeakPolarHBondContact OD1-CB 3.38Å; D98-S100 PolarHBondContact OD1-N 2.82Å; D98-S100 PolarHBondContact OD1-OG 3.32Å; D98-S100 PolarHBondContact OD2-OG 3.16Å
99	A	88.8	Confident	93.2	Very high	11 Å²	11	54 Å²	54	9%	0.091	30%	0.302	C	S	.	.			trans	-122.5	6.8	178	0	0	0	0	0	112.2	K88 F92 R97 Q101 C102	K88-A99 HydrophobicContact CB-CB 4Å; K88-A99 HydrophobicContact CD-CB 4.18Å; K88-A99 HydrophobicContact CG-CB 3.61Å; F92-A99 HydrophobicContact CB-CB 4.49Å; F92-A99 HydrophobicContact CD2-CB 3.91Å; R97-A99 PolarHBondContact O-N 2.85Å; A99-Q101 PolarHBondContact O-N 3.4Å; A99-C102 WeakPolarHBondContact O-CB 3.47Å; A99-C102 PolarHBondContact O-N 3.12Å
100	S	88.4	Confident	93.4	Very high	71 Å²	71	58.8 Å²	58.8	50%	0.497	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.3	-178.2	61.6	0	0	0	0	113.2	H86 D98	H86-S100 PolarHBondContact ND1-O 3.02Å; H86-S100 VanDerWaalsContact ND1-O 3.14Å; D98-S100 VanDerWaalsContact CG-OG 3.26Å; D98-S100 WeakPolarHBondContact OD1-CB 3.38Å; D98-S100 PolarHBondContact OD1-N 2.82Å; D98-S100 PolarHBondContact OD1-OG 3.32Å; D98-S100 PolarHBondContact OD2-OG 3.16Å
101	Q	90.8	Very high	93.6	Very high	122 Å²	122	59.5 Å²	59.5	57%	0.57	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-10.3	-179.8	-62.9	177.8	62.4	0	0	113.8	L59 A99 Y103 L122	L59-Q101 HydrophobicContact CD2-CB 3.67Å; A99-Q101 PolarHBondContact O-N 3.4Å; Q101-Y103 PolarHBondContact O-N 2.83Å; Q101-L122 WeakPolarHBondContact O-CD2 3.26Å
102	C	96.8	Very high	93.8	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.007	33%	0.332	C	S	.	.			trans	-69.2	123	175.1	-72.9	0	0	0	0	109.4	H86 Y87 A99 L122	H86-C102 WeakPolarHBondContact CA-O 3.46Å; H86-C102 PolarHBondContact ND1-O 2.95Å; Y87-C102 HydrophobicContact CD1-CB 4.03Å; Y87-C102 HydrophobicContact CD2-CB 4.33Å; Y87-C102 HydrophobicContact CE1-CB 3.78Å; Y87-C102 HydrophobicContact CE2-CB 4.1Å; Y87-C102 HydrophobicContact CG-CB 4.3Å; Y87-C102 PolarHBondContact N-O 3.25Å; Y87-C102 WeakPolarHBondContact O-CB 3.38Å; A99-C102 WeakPolarHBondContact O-CB 3.47Å; A99-C102 PolarHBondContact O-N 3.12Å; C102-L122 CarbonylContact C-O 3.58Å; C102-L122 VanDerWaalsContact CA-O 3.29Å; C102-L122 WeakPolarHBondContact CA-O 3.4Å
103	Y	98.1	Very high	93.9	Very high	45 Å²	45	62.4 Å²	62.4	18%	0.176	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	143.9	-169.5	-179.4	-97.9	0	0	0	111.3	H84 A85 H86 Q101 K105 L122	H84-Y103 HydrophobicContact CB-CE2 3.96Å; H84-Y103 WeakPolarHBondContact CB-OH 3.35Å; H84-Y103 AromaticContact ND1-CE2 3.77Å; H84-Y103 AromaticContact ND1-CZ 3.68Å; H84-Y103 PolarHBondContact ND1-OH 3.31Å; A85-Y103 WeakPolarHBondContact O-CA 3.47Å; A85-Y103 VanDerWaalsContact O-CD2 3.32Å; A85-Y103 WeakPolarHBondContact O-CD2 3.49Å; H86-Y103 AromaticContact CD2-CD2 3.95Å; H86-Y103 AromaticContact CE1-CD2 3.67Å; H86-Y103 AromaticContact CG-CD2 4Å; H86-Y103 AromaticContact ND1-CD2 3.83Å; H86-Y103 AromaticContact NE2-CD2 3.72Å; Q101-Y103 PolarHBondContact O-N 2.83Å; Y103-K105 HydrophobicContact CE1-CB 3.79Å; Y103-K105 HydrophobicContact CE1-CD 4.2Å; Y103-K105 HydrophobicContact CE1-CG 3.98Å; Y103-L122 PolarHBondContact N-O 3.27Å; Y103-L122 PolarHBondContact O-N 3.37Å
104	V	98.5	Very high	94.4	Very high	0 Å²	0	62 Å²	62	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	138.7	176.1	50.3	0	0	0	0	109.3	H84 A85 Y87 L119 H120 F121 E159 V160 L163	H84-V104 VanDerWaalsContact CA-O 3.23Å; H84-V104 WeakPolarHBondContact CA-O 3.44Å; H84-V104 WeakPolarHBondContact CB-O 3.19Å; A85-V104 HydrophobicContact CB-CG1 4.31Å; A85-V104 PolarHBondContact N-O 2.86Å; A85-V104 PolarHBondContact O-N 2.61Å; Y87-V104 HydrophobicContact CD1-CG1 4.09Å; Y87-V104 HydrophobicContact CE1-CB 4.49Å; Y87-V104 HydrophobicContact CE1-CG1 4.43Å; V104-L119 HydrophobicContact CG2-CD1 4.27Å; V104-H120 WeakPolarHBondContact CA-O 3.42Å; V104-F121 HydrophobicContact CB-CD2 4.04Å; V104-F121 HydrophobicContact CG2-CD2 3.98Å; V104-E159 HydrophobicContact CG1-CB 4.2Å; V104-V160 HydrophobicContact CG2-CG2 4.05Å; V104-L163 HydrophobicContact CG1-CD2 3.71Å; V104-L163 HydrophobicContact CG2-CD1 4.03Å; V104-L163 HydrophobicContact CG2-CD2 4.36Å
105	K	98.6	Very high	94.9	Very high	30 Å²	30	58.4 Å²	58.4	13%	0.13	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	146.6	168.3	67.8	171.7	-169.2	-179.8	0	112.3	E68 V82 Y83 H84 Y103 H120	E68-K105 IonicContact OE2-NZ 3.77Å; E68-K105 PolarHBondContact OE2-NZ 3.3Å; V82-K105 HydrophobicContact CG1-CB 4.24Å; V82-K105 HydrophobicContact CG1-CD 4.34Å; Y83-K105 CarbonylContact O-C 3.52Å; Y83-K105 WeakPolarHBondContact O-CA 3.4Å; H84-K105 HydrophobicContact CB-CB 3.91Å; Y103-K105 HydrophobicContact CE1-CB 3.79Å; Y103-K105 HydrophobicContact CE1-CD 4.2Å; Y103-K105 HydrophobicContact CE1-CG 3.98Å; K105-H120 HydrophobicContact CD-CB 4.42Å; K105-H120 VanDerWaalsContact CE-CD2 3.41Å; K105-H120 WeakPolarHBondContact CE-CD2 3.32Å; K105-H120 HydrophobicContact CG-CB 3.65Å; K105-H120 PolarHBondContact N-O 3.23Å; K105-H120 PolarHBondContact O-N 3.05Å
106	M	98.8	Very high	95.4	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.7	176.4	-173.1	-173.8	-69.3	0	0	109	V82 Y83 V116 G118 L119 Y143 V146 V160 L163	V82-M106 WeakPolarHBondContact CA-O 3.47Å; Y83-M106 PolarHBondContact N-O 2.97Å; Y83-M106 PolarHBondContact O-N 3.46Å; M106-V116 HydrophobicContact CG-CG1 3.69Å; M106-V116 HydrophobicContact CG-CG2 4.24Å; M106-V116 HydrophobicContact SD-CG1 4.24Å; M106-V116 HydrophobicContact SD-CG2 3.74Å; M106-G118 WeakPolarHBondContact CA-O 3.18Å; M106-L119 HydrophobicContact CB-CD1 4.3Å; M106-L119 HydrophobicContact CE-CD1 4.35Å; M106-Y143 HydrophobicContact SD-CD2 4.2Å; M106-V146 HydrophobicContact CE-CB 4.2Å; M106-V146 HydrophobicContact CE-CG1 3.64Å; M106-V146 HydrophobicContact CE-CG2 4.24Å; M106-V160 HydrophobicContact CE-CG1 3.57Å; M106-L163 HydrophobicContact CB-CD1 3.63Å; M106-L163 HydrophobicContact CE-CD1 4.04Å
107	V	98.8	Very high	95.9	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124	179.7	-174.1	0	0	0	0	107.8	E68 A71 V80 L117 G118	E68-V107 HydrophobicContact CB-CG2 4.35Å; A71-V107 HydrophobicContact CB-CG1 3.56Å; V80-V107 HydrophobicContact CG1-CG1 3.78Å; V107-L117 HydrophobicContact CG1-CB 4.38Å; V107-L117 PolarHBondContact O-N 3.48Å; V107-G118 PolarHBondContact N-O 2.92Å; V107-G118 PolarHBondContact O-N 2.89Å
108	C	98.8	Very high	96.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	153.7	-175	-60.2	0	0	0	0	111.6	V80 E81 Y83 L115	V80-C108 WeakPolarHBondContact CA-O 3.15Å; E81-C108 PolarHBondContact N-O 2.85Å; E81-C108 PolarHBondContact O-N 3.36Å; Y83-C108 HydrophobicContact CE2-CB 4.5Å; C108-L115 CarbonylContact C-O 3.57Å; C108-L115 VanDerWaalsContact CA-O 3.27Å; C108-L115 WeakPolarHBondContact CA-O 3.48Å
109	L	98.6	Very high	96.8	Very high	18 Å²	18	41.5 Å²	41.5	9%	0.094	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	144.9	158.5	-70.6	174.6	0	0	0	110	H75 H79 E111 Q114 L115 L117	H75-L109 HydrophobicContact CB-CD2 4.25Å; H79-L109 CarbonylContact O-C 3.59Å; H79-L109 WeakPolarHBondContact O-CA 3.31Å; L109-E111 HydrophobicContact CB-CG 4.37Å; L109-Q114 VanDerWaalsContact O-CA 3.27Å; L109-Q114 WeakPolarHBondContact O-CA 3.47Å; L109-Q114 WeakPolarHBondContact O-CB 3.39Å; L109-L115 HydrophobicContact CD1-CB 4.29Å; L109-L115 PolarHBondContact N-O 2.8Å; L109-L117 HydrophobicContact CD1-CD2 4.31Å; L109-L117 HydrophobicContact CD2-CD1 3.85Å; L109-L117 HydrophobicContact CG-CD1 3.92Å; L109-L117 HydrophobicContact CG-CD2 4.01Å; L109-L117 HydrophobicContact CG-CG 4.08Å
110	R	98.1	Very high	97.3	Very high	103 Å²	103	41.6 Å²	41.6	39%	0.389	22%	0.217	S	C	.	.	S	Bend	trans	-80	-36	174.4	-76.7	-179.6	78	-146.8	1.2	112.8	E78 H79 V80 E81 Q114	E78-R110 VanDerWaalsContact O-CD 3.28Å; E78-R110 WeakPolarHBondContact O-CD 3.25Å; E78-R110 PolarHBondContact O-NH1 2.93Å; H79-R110 PolarHBondContact O-N 2.9Å; V80-R110 WeakPolarHBondContact O-CD 3.41Å; E81-R110 HydrophobicContact CB-CG 3.68Å; E81-R110 IonicContact OE2-NE 3.63Å; E81-R110 PolarHBondContact OE2-NE 2.88Å; R110-Q114 PolarHBondContact O-NE2 2.97Å
111	E	97	Very high	97.8	Very high	109 Å²	109	38.2 Å²	38.2	51%	0.509	19%	0.193	S	C	.	.	S	Bend	trans	-69.4	146.5	179.3	63.9	-178.9	-169.1	0	0	111.1	L109 Q114	L109-E111 HydrophobicContact CB-CG 4.37Å; E111-Q114 VanDerWaalsContact O-CA 3.27Å; E111-Q114 WeakPolarHBondContact O-CA 3.46Å; E111-Q114 PolarHBondContact O-N 2.84Å
112	P	96.3	Very high	98.2	Very high	119 Å²	119	35 Å²	35	77%	0.773	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	137	171	-24.7	34.8	0	0	0	111.2
113	P	96.4	Very high	98.2	Very high	83 Å²	83	34.9 Å²	34.9	54%	0.539	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89	12.9	11.9	36.2	-37	0	0	0	114.7	L115 S142	P113-L115 HydrophobicContact CG-CD2 3.7Å; P113-L115 HydrophobicContact CG-CG 3.86Å; P113-S142 WeakPolarHBondContact O-CB 3.49Å
114	Q	97.7	Very high	98.1	Very high	61 Å²	61	33.9 Å²	33.9	29%	0.285	18%	0.178	S	C	.	.			trans	63.2	53.3	-175.7	-54.3	-178.7	-46.6	0	0	112.4	L109 R110 E111 V116 S142 Y143	L109-Q114 VanDerWaalsContact O-CA 3.27Å; L109-Q114 WeakPolarHBondContact O-CA 3.47Å; L109-Q114 WeakPolarHBondContact O-CB 3.39Å; R110-Q114 PolarHBondContact O-NE2 2.97Å; E111-Q114 VanDerWaalsContact O-CA 3.27Å; E111-Q114 WeakPolarHBondContact O-CA 3.46Å; E111-Q114 PolarHBondContact O-N 2.84Å; Q114-V116 PolarHBondContact O-N 2.99Å; Q114-S142 CarbonylContact O-C 3.53Å; Q114-S142 VanDerWaalsContact O-CA 3.28Å; Q114-S142 WeakPolarHBondContact O-CA 3.15Å; Q114-Y143 PolarHBondContact O-N 3.37Å
115	L	98.6	Very high	98.1	Very high	60 Å²	60	38.5 Å²	38.5	31%	0.314	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-57.4	138.1	179	-64	178.9	0	0	0	110.9	C108 L109 P113 L117 G140	C108-L115 CarbonylContact C-O 3.57Å; C108-L115 VanDerWaalsContact CA-O 3.27Å; C108-L115 WeakPolarHBondContact CA-O 3.48Å; L109-L115 HydrophobicContact CD1-CB 4.29Å; L109-L115 PolarHBondContact N-O 2.8Å; P113-L115 HydrophobicContact CG-CD2 3.7Å; P113-L115 HydrophobicContact CG-CG 3.86Å; L115-L117 PolarHBondContact O-N 2.89Å; L115-G140 WeakPolarHBondContact CD2-O 3.19Å
116	V	98.6	Very high	98.1	Very high	11 Å²	11	37.1 Å²	37.1	7%	0.067	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	115.4	170.8	-178.3	0	0	0	0	107.9	M106 Q114 I137 A141 V146	M106-V116 HydrophobicContact CG-CG1 3.69Å; M106-V116 HydrophobicContact CG-CG2 4.24Å; M106-V116 HydrophobicContact SD-CG1 4.24Å; M106-V116 HydrophobicContact SD-CG2 3.74Å; Q114-V116 PolarHBondContact O-N 2.99Å; V116-I137 HydrophobicContact CB-CG1 4.15Å; V116-I137 HydrophobicContact CG1-CD1 3.89Å; V116-I137 HydrophobicContact CG1-CG1 3.82Å; V116-A141 WeakPolarHBondContact CG2-O 3.49Å; V116-A141 PolarHBondContact N-O 3.42Å; V116-V146 HydrophobicContact CG2-CG2 4.23Å
117	L	98.6	Very high	98.1	Very high	24 Å²	24	37.8 Å²	37.8	13%	0.126	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-27.5	178.6	-61.6	179.8	0	0	0	112.4	G65 L66 A71 V107 L109 L115	G65-L117 CarbonylContact C-O 3.6Å; G65-L117 WeakPolarHBondContact CA-O 3.43Å; L66-L117 HydrophobicContact CD1-CB 4.35Å; L66-L117 HydrophobicContact CD1-CD1 4.49Å; L66-L117 PolarHBondContact N-O 3.44Å; A71-L117 HydrophobicContact CB-CD1 4.1Å; V107-L117 HydrophobicContact CG1-CB 4.38Å; V107-L117 PolarHBondContact O-N 3.48Å; L109-L117 HydrophobicContact CD1-CD2 4.31Å; L109-L117 HydrophobicContact CD2-CD1 3.85Å; L109-L117 HydrophobicContact CG-CD1 3.92Å; L109-L117 HydrophobicContact CG-CD2 4.01Å; L109-L117 HydrophobicContact CG-CG 4.08Å; L115-L117 PolarHBondContact O-N 2.89Å
118	G	98.6	Very high	98	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	151.3	-179.4	0	0	0	0	0	113.2	V64 M106 V107	V64-G118 CarbonylContact O-C 3.5Å; V64-G118 WeakPolarHBondContact O-CA 3.22Å; M106-G118 WeakPolarHBondContact CA-O 3.18Å; V107-G118 PolarHBondContact N-O 2.92Å; V107-G118 PolarHBondContact O-N 2.89Å
119	L	98.8	Very high	98	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.8	172.3	179.6	71.4	0	0	0	108.8	C63 V64 V104 M106 F133 I137 V160	C63-L119 CarbonylContact C-O 3.53Å; C63-L119 WeakPolarHBondContact CA-O 3.34Å; V64-L119 HydrophobicContact CG1-CB 3.95Å; V64-L119 PolarHBondContact N-O 2.96Å; V64-L119 PolarHBondContact O-N 3.25Å; V104-L119 HydrophobicContact CG2-CD1 4.27Å; M106-L119 HydrophobicContact CB-CD1 4.3Å; M106-L119 HydrophobicContact CE-CD1 4.35Å; L119-F133 HydrophobicContact CD2-CB 3.36Å; L119-F133 HydrophobicContact CD2-CD1 4.34Å; L119-F133 HydrophobicContact CD2-CD2 3.65Å; L119-F133 HydrophobicContact CD2-CG 3.53Å; L119-I137 HydrophobicContact CB-CD1 4.03Å; L119-V160 HydrophobicContact CD1-CG1 3.86Å; L119-V160 HydrophobicContact CD1-CG2 4.31Å; L119-V160 HydrophobicContact CD2-CG1 4.27Å; L119-V160 HydrophobicContact CD2-CG2 4.46Å
120	H	98.8	Very high	98	Very high	12 Å²	12	44.9 Å²	44.9	6%	0.056	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.2	178.8	-57.5	-97.8	0	0	0	109.1	Y61 L66 V104 K105	Y61-H120 HydrophobicContact CE2-CB 4.08Å; Y61-H120 AromaticContact CZ-ND1 3.88Å; Y61-H120 PolarHBondContact OH-ND1 2.89Å; L66-H120 PolarHBondContact O-NE2 3.34Å; L66-H120 VanDerWaalsContact O-NE2 3.14Å; V104-H120 WeakPolarHBondContact CA-O 3.42Å; K105-H120 HydrophobicContact CD-CB 4.42Å; K105-H120 VanDerWaalsContact CE-CD2 3.41Å; K105-H120 WeakPolarHBondContact CE-CD2 3.32Å; K105-H120 HydrophobicContact CG-CB 3.65Å; K105-H120 PolarHBondContact N-O 3.23Å; K105-H120 PolarHBondContact O-N 3.05Å
121	F	98.7	Very high	98	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	119.6	-172	-171.1	-88.3	0	0	0	109.5	Y61 G62 Y87 V104 A126 V129 C156 V160	Y61-F121 CarbonylContact C-O 3.58Å; Y61-F121 WeakPolarHBondContact CA-O 3.41Å; G62-F121 PolarHBondContact N-O 3.38Å; G62-F121 PolarHBondContact O-N 3.5Å; Y87-F121 HydrophobicContact CE1-CE2 4.22Å; Y87-F121 HydrophobicContact CE1-CZ 4.34Å; Y87-F121 HydrophobicContact CE2-CZ 4.29Å; Y87-F121 AromaticContact CZ-CE2 3.95Å; Y87-F121 AromaticContact CZ-CZ 3.64Å; Y87-F121 WeakPolarHBondContact OH-CE1 3.25Å; Y87-F121 WeakPolarHBondContact OH-CZ 3.21Å; V104-F121 HydrophobicContact CB-CD2 4.04Å; V104-F121 HydrophobicContact CG2-CD2 3.98Å; F121-A126 HydrophobicContact CD1-CB 3.76Å; F121-A126 HydrophobicContact CE1-CB 4.38Å; F121-V129 HydrophobicContact CD1-CB 4.3Å; F121-V129 HydrophobicContact CD1-CG1 4.37Å; F121-V129 HydrophobicContact CD2-CG1 3.87Å; F121-V129 HydrophobicContact CE1-CB 4.18Å; F121-V129 HydrophobicContact CE1-CG1 4.35Å; F121-V129 HydrophobicContact CE1-CG2 3.91Å; F121-V129 HydrophobicContact CE2-CG1 3.88Å; F121-V129 HydrophobicContact CE2-CG2 4.45Å; F121-V129 HydrophobicContact CG-CB 4.5Å; F121-V129 HydrophobicContact CG-CG1 4.1Å; F121-V129 HydrophobicContact CZ-CB 4.28Å; F121-V129 HydrophobicContact CZ-CG1 4.09Å; F121-V129 HydrophobicContact CZ-CG2 3.85Å; F121-C156 HydrophobicContact CZ-CB 3.91Å; F121-V160 HydrophobicContact CD2-CG2 4.23Å; F121-V160 HydrophobicContact CE2-CG2 4.43Å
122	L	98.6	Very high	98	Very high	54 Å²	54	43 Å²	43	28%	0.283	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	110.4	178.7	178.3	65	0	0	0	108.1	L59 E60 Y87 Q101 C102 Y103	L59-L122 HydrophobicContact CD2-CD1 4Å; L59-L122 HydrophobicContact CD2-CD2 4.33Å; L59-L122 HydrophobicContact CD2-CG 3.83Å; L59-L122 HydrophobicContact CG-CD1 4.04Å; L59-L122 HydrophobicContact CG-CG 4.26Å; E60-L122 WeakPolarHBondContact O-CA 3.35Å; E60-L122 WeakPolarHBondContact O-CD1 3.45Å; Y87-L122 PolarHBondContact OH-O 3.33Å; Q101-L122 WeakPolarHBondContact O-CD2 3.26Å; C102-L122 CarbonylContact C-O 3.58Å; C102-L122 VanDerWaalsContact CA-O 3.29Å; C102-L122 WeakPolarHBondContact CA-O 3.4Å; Y103-L122 PolarHBondContact N-O 3.27Å; Y103-L122 PolarHBondContact O-N 3.37Å
123	G	97.6	Very high	98.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	163	-173.7	-177.4	0	0	0	0	0	113.8	E60 Y87	E60-G123 WeakPolarHBondContact CB-O 3.42Å; E60-G123 PolarHBondContact O-N 3.06Å; Y87-G123 WeakPolarHBondContact OH-CA 3.25Å
124	P	96.8	Very high	98.2	Very high	24 Å²	24	35.7 Å²	35.7	16%	0.156	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	143	-178.6	28.5	-34.9	0	0	0	111.8	P89 F92 A126	P89-P124 HydrophobicContact CB-CG 4.13Å; P89-P124 HydrophobicContact CG-CG 3.66Å; F92-P124 HydrophobicContact CE1-CG 4.48Å; F92-P124 HydrophobicContact CZ-CG 4.37Å; P124-A126 VanDerWaalsContact C-N 3.28Å; P124-A126 PolarHBondContact O-N 3.36Å
125	N	97.8	Very high	98.2	Very high	97 Å²	97	38.3 Å²	38.3	52%	0.519	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	38.5	178.3	-46.1	-60.3	0	0	0	113	E60 G127 E128 V129	E60-N125 VanDerWaalsContact OE2-CA 3.28Å; E60-N125 WeakPolarHBondContact OE2-CA 3.34Å; E60-N125 PolarHBondContact OE2-N 2.9Å; N125-G127 PolarHBondContact O-N 3.49Å; N125-E128 HydrophobicContact CB-CB 4.27Å; N125-E128 HydrophobicContact CB-CG 4.18Å; N125-E128 PolarHBondContact O-N 3.16Å; N125-E128 VanDerWaalsContact O-N 3.15Å; N125-V129 PolarHBondContact O-N 3.01Å; N125-V129 VanDerWaalsContact O-N 3.16Å
126	A	98.4	Very high	98.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-32.5	-174.5	0	0	0	0	0	112.1	T54 E60 F121 P124 T130	T54-A126 HydrophobicContact CG2-CB 4.41Å; E60-A126 HydrophobicContact CB-CB 3.64Å; E60-A126 PolarHBondContact OE2-N 2.89Å; F121-A126 HydrophobicContact CD1-CB 3.76Å; F121-A126 HydrophobicContact CE1-CB 4.38Å; P124-A126 VanDerWaalsContact C-N 3.28Å; P124-A126 PolarHBondContact O-N 3.36Å; A126-T130 WeakPolarHBondContact O-CB 3.38Å; A126-T130 PolarHBondContact O-N 3.03Å; A126-T130 PolarHBondContact O-OG1 3.07Å
127	G	98	Very high	98	Very high	17 Å²	17	36.9 Å²	36.9	18%	0.175	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-44.9	174.7	0	0	0	0	0	112.9	T54 N125 T130 Q131	T54-G127 VanDerWaalsContact OG1-CA 3.25Å; T54-G127 WeakPolarHBondContact OG1-CA 3.26Å; N125-G127 PolarHBondContact O-N 3.49Å; G127-T130 PolarHBondContact O-N 3.31Å; G127-Q131 WeakPolarHBondContact O-CB 3.14Å; G127-Q131 PolarHBondContact O-N 3.31Å
128	E	98.3	Very high	97.9	Very high	152 Å²	152	41.5 Å²	41.5	71%	0.71	23%	0.229	S	C	*	.	H	α-helix	trans	-63.7	-43.8	179.2	-57.4	-58.8	160	0	0	111.6	N125	N125-E128 HydrophobicContact CB-CB 4.27Å; N125-E128 HydrophobicContact CB-CG 4.18Å; N125-E128 PolarHBondContact O-N 3.16Å; N125-E128 VanDerWaalsContact O-N 3.15Å
129	V	98.2	Very high	97.8	Very high	13 Å²	13	46.4 Å²	46.4	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-51.1	176.2	176.6	0	0	0	0	110.4	F121 N125 Q131 G132 F133 V160	F121-V129 HydrophobicContact CD1-CB 4.3Å; F121-V129 HydrophobicContact CD1-CG1 4.37Å; F121-V129 HydrophobicContact CD2-CG1 3.87Å; F121-V129 HydrophobicContact CE1-CB 4.18Å; F121-V129 HydrophobicContact CE1-CG1 4.35Å; F121-V129 HydrophobicContact CE1-CG2 3.91Å; F121-V129 HydrophobicContact CE2-CG1 3.88Å; F121-V129 HydrophobicContact CE2-CG2 4.45Å; F121-V129 HydrophobicContact CG-CB 4.5Å; F121-V129 HydrophobicContact CG-CG1 4.1Å; F121-V129 HydrophobicContact CZ-CB 4.28Å; F121-V129 HydrophobicContact CZ-CG1 4.09Å; F121-V129 HydrophobicContact CZ-CG2 3.85Å; N125-V129 PolarHBondContact O-N 3.01Å; N125-V129 VanDerWaalsContact O-N 3.16Å; V129-Q131 VanDerWaalsContact C-N 3.34Å; V129-Q131 PolarHBondContact O-N 3.21Å; V129-G132 PolarHBondContact O-N 3.29Å; V129-F133 HydrophobicContact CG1-CD2 4.09Å; V129-F133 HydrophobicContact CG1-CE2 4.05Å; V129-F133 VanDerWaalsContact O-CD2 3.31Å; V129-F133 WeakPolarHBondContact O-CD2 3.4Å; V129-V160 HydrophobicContact CG1-CG2 4.32Å
130	T	98.6	Very high	97.8	Very high	1 Å²	1	48 Å²	48	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-37.8	-173.5	-57.8	0	0	0	0	112.1	P52 G62 C63 V64 A126 G127 G132 F133 A134	P52-T130 HydrophobicContact CB-CG2 4Å; G62-T130 WeakPolarHBondContact CA-OG1 3.24Å; C63-T130 WeakPolarHBondContact O-CG2 3.39Å; V64-T130 HydrophobicContact CB-CG2 4.11Å; V64-T130 HydrophobicContact CG1-CG2 4Å; A126-T130 WeakPolarHBondContact O-CB 3.38Å; A126-T130 PolarHBondContact O-N 3.03Å; A126-T130 PolarHBondContact O-OG1 3.07Å; G127-T130 PolarHBondContact O-N 3.31Å; T130-G132 VanDerWaalsContact C-N 3.31Å; T130-G132 PolarHBondContact O-N 2.78Å; T130-F133 PolarHBondContact O-N 2.85Å; T130-A134 WeakPolarHBondContact O-CB 3.22Å; T130-A134 PolarHBondContact O-N 2.79Å
131	Q	98.4	Very high	97.7	Very high	120 Å²	120	48.3 Å²	48.3	56%	0.561	28%	0.283	S	S	*	.	H	α-helix	trans	-58.4	-40.5	-177.3	-177.8	59.4	77.7	0	0	113	G127 V129	G127-Q131 WeakPolarHBondContact O-CB 3.14Å; G127-Q131 PolarHBondContact O-N 3.31Å; V129-Q131 VanDerWaalsContact C-N 3.34Å; V129-Q131 PolarHBondContact O-N 3.21Å
132	G	96.8	Very high	97.7	Very high	52 Å²	52	48.7 Å²	48.7	54%	0.536	29%	0.286	S	S	.	.	H	α-helix	trans	-68.7	-45.9	178.3	0	0	0	0	0	112.7	V129 T130 A134 L135 G136	V129-G132 PolarHBondContact O-N 3.29Å; T130-G132 VanDerWaalsContact C-N 3.31Å; T130-G132 PolarHBondContact O-N 2.78Å; G132-A134 VanDerWaalsContact C-N 3.31Å; G132-A134 PolarHBondContact O-N 2.8Å; G132-L135 PolarHBondContact O-N 2.89Å; G132-G136 PolarHBondContact O-N 2.7Å
133	F	98	Very high	97.7	Very high	44 Å²	44	47.7 Å²	47.7	19%	0.193	28%	0.279	C	S	.	.	H	α-helix	trans	-70.4	-26.5	179.6	-73.1	-72.8	0	0	0	113.4	L119 V129 T130 L135 G136 I137 V160	L119-F133 HydrophobicContact CD2-CB 3.36Å; L119-F133 HydrophobicContact CD2-CD1 4.34Å; L119-F133 HydrophobicContact CD2-CD2 3.65Å; L119-F133 HydrophobicContact CD2-CG 3.53Å; V129-F133 HydrophobicContact CG1-CD2 4.09Å; V129-F133 HydrophobicContact CG1-CE2 4.05Å; V129-F133 VanDerWaalsContact O-CD2 3.31Å; V129-F133 WeakPolarHBondContact O-CD2 3.4Å; T130-F133 PolarHBondContact O-N 2.85Å; F133-L135 VanDerWaalsContact C-N 3.28Å; F133-L135 PolarHBondContact O-N 3.26Å; F133-G136 WeakPolarHBondContact O-CA 3.23Å; F133-G136 PolarHBondContact O-N 2.81Å; F133-I137 PolarHBondContact O-N 3.36Å; F133-V160 HydrophobicContact CD1-CG1 3.97Å; F133-V160 HydrophobicContact CD2-CG1 4.25Å; F133-V160 HydrophobicContact CD2-CG2 4.24Å; F133-V160 HydrophobicContact CE1-CB 4.08Å; F133-V160 HydrophobicContact CE1-CG1 3.48Å; F133-V160 VanDerWaalsContact CE1-CG1 3.48Å; F133-V160 HydrophobicContact CE2-CB 3.72Å; F133-V160 HydrophobicContact CE2-CG1 3.81Å; F133-V160 HydrophobicContact CE2-CG2 3.64Å; F133-V160 HydrophobicContact CG-CG1 4.34Å; F133-V160 HydrophobicContact CZ-CB 3.47Å; F133-V160 VanDerWaalsContact CZ-CB 3.47Å; F133-V160 HydrophobicContact CZ-CG1 3.41Å; F133-V160 VanDerWaalsContact CZ-CG1 3.41Å; F133-V160 HydrophobicContact CZ-CG2 3.97Å
134	A	98	Very high	97.7	Very high	6 Å²	6	49.4 Å²	49.4	5%	0.05	29%	0.293	C	S	.	.	H	α-helix	trans	-57.9	-41.1	173.4	0	0	0	0	0	112.3	P52 V64 T130 G132 K138	P52-A134 HydrophobicContact CB-CB 3.76Å; P52-A134 HydrophobicContact CG-CB 3.71Å; V64-A134 HydrophobicContact CB-CB 4.26Å; V64-A134 HydrophobicContact CG1-CB 4.38Å; V64-A134 HydrophobicContact CG2-CB 3.84Å; T130-A134 WeakPolarHBondContact O-CB 3.22Å; T130-A134 PolarHBondContact O-N 2.79Å; G132-A134 VanDerWaalsContact C-N 3.31Å; G132-A134 PolarHBondContact O-N 2.8Å; A134-K138 WeakPolarHBondContact O-CB 3.49Å; A134-K138 PolarHBondContact O-N 2.88Å
135	L	97.5	Very high	97.8	Very high	115 Å²	115	53.5 Å²	53.5	60%	0.602	31%	0.31	S	S	*	.	H	α-helix	trans	-63.5	-43.5	173	178.5	62.4	0	0	0	111.2	G132 F133 I137 K138 C139	G132-L135 PolarHBondContact O-N 2.89Å; F133-L135 VanDerWaalsContact C-N 3.28Å; F133-L135 PolarHBondContact O-N 3.26Å; L135-I137 PolarHBondContact O-N 2.92Å; L135-K138 PolarHBondContact O-N 2.67Å; L135-C139 WeakPolarHBondContact O-CB 3.31Å; L135-C139 PolarHBondContact O-N 3.03Å; L135-C139 PolarHBondContact O-SG 3.08Å
136	G	97.1	Very high	97.8	Very high	25 Å²	25	49.4 Å²	49.4	26%	0.258	29%	0.288	S	S	.	.	H	α-helix	trans	-58	-48.5	177.4	0	0	0	0	0	112.6	G132 F133 K138 C139 G140 A141	G132-G136 PolarHBondContact O-N 2.7Å; F133-G136 WeakPolarHBondContact O-CA 3.23Å; F133-G136 PolarHBondContact O-N 2.81Å; G136-K138 VanDerWaalsContact C-N 3.33Å; G136-K138 PolarHBondContact O-N 2.98Å; G136-C139 CarbonylContact O-C 3.49Å; G136-C139 PolarHBondContact O-N 3.45Å; G136-C139 VanDerWaalsContact O-N 3.13Å; G136-G140 PolarHBondContact O-N 3.29Å; G136-A141 WeakPolarHBondContact O-CB 3.25Å; G136-A141 PolarHBondContact O-N 2.93Å
137	I	97.5	Very high	97.7	Very high	16 Å²	16	51.6 Å²	51.6	8%	0.082	30%	0.299	C	S	.	.	H	α-helix	trans	-61.8	-43	177.1	-70.3	165.2	0	0	0	110.6	N50 V64 V116 L119 F133 L135 C139 G140	N50-I137 HydrophobicContact CB-CG2 4.44Å; V64-I137 HydrophobicContact CG1-CD1 3.53Å; V64-I137 HydrophobicContact CG2-CD1 4.45Å; V116-I137 HydrophobicContact CB-CG1 4.15Å; V116-I137 HydrophobicContact CG1-CD1 3.89Å; V116-I137 HydrophobicContact CG1-CG1 3.82Å; L119-I137 HydrophobicContact CB-CD1 4.03Å; F133-I137 PolarHBondContact O-N 3.36Å; L135-I137 PolarHBondContact O-N 2.92Å; I137-C139 PolarHBondContact O-N 3Å; I137-G140 PolarHBondContact O-N 2.94Å
138	K	95.9	Very high	97.7	Very high	122 Å²	122	61 Å²	61	53%	0.53	33%	0.329	S	S	.	.	H	α-helix	trans	-61.4	-31.1	175.7	-169.5	162.1	-171.1	144	0	113.1	D47 A134 L135 G136 G140	D47-K138 WeakPolarHBondContact OD2-CE 3.4Å; D47-K138 IonicContact OD2-NZ 3.48Å; D47-K138 PolarHBondContact OD2-NZ 3.37Å; A134-K138 WeakPolarHBondContact O-CB 3.49Å; A134-K138 PolarHBondContact O-N 2.88Å; L135-K138 PolarHBondContact O-N 2.67Å; G136-K138 VanDerWaalsContact C-N 3.33Å; G136-K138 PolarHBondContact O-N 2.98Å; K138-G140 VanDerWaalsContact C-N 3.26Å; K138-G140 PolarHBondContact O-N 3.43Å
139	C	96.9	Very high	97.7	Very high	102 Å²	102	57.5 Å²	57.5	69%	0.689	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	6.1	173.7	-67.9	0	0	0	0	114	L135 G136 I137	L135-C139 WeakPolarHBondContact O-CB 3.31Å; L135-C139 PolarHBondContact O-N 3.03Å; L135-C139 PolarHBondContact O-SG 3.08Å; G136-C139 CarbonylContact O-C 3.49Å; G136-C139 PolarHBondContact O-N 3.45Å; G136-C139 VanDerWaalsContact O-N 3.13Å; I137-C139 PolarHBondContact O-N 3Å
140	G	97.1	Very high	97.6	Very high	36 Å²	36	63.3 Å²	63.3	37%	0.371	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	35.5	179.2	0	0	0	0	0	114	L115 G136 I137 K138 S142	L115-G140 WeakPolarHBondContact CD2-O 3.19Å; G136-G140 PolarHBondContact O-N 3.29Å; I137-G140 PolarHBondContact O-N 2.94Å; K138-G140 VanDerWaalsContact C-N 3.26Å; K138-G140 PolarHBondContact O-N 3.43Å; G140-S142 PolarHBondContact O-N 3.29Å
141	A	98.1	Very high	97.5	Very high	18 Å²	18	64.9 Å²	64.9	15%	0.149	37%	0.37	C	S	.	.			trans	-54.8	132.3	175.5	0	0	0	0	0	111.9	V116 G136 V146	V116-A141 WeakPolarHBondContact CG2-O 3.49Å; V116-A141 PolarHBondContact N-O 3.42Å; G136-A141 WeakPolarHBondContact O-CB 3.25Å; G136-A141 PolarHBondContact O-N 2.93Å; A141-V146 HydrophobicContact CB-CG2 4.47Å
142	S	98.6	Very high	97.5	Very high	9 Å²	9	65.3 Å²	65.3	6%	0.063	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-97.2	154.4	169.8	54.6	0	0	0	0	111.7	P113 Q114 G140 A144 Q145 V146	P113-S142 WeakPolarHBondContact O-CB 3.49Å; Q114-S142 CarbonylContact O-C 3.53Å; Q114-S142 VanDerWaalsContact O-CA 3.28Å; Q114-S142 WeakPolarHBondContact O-CA 3.15Å; G140-S142 PolarHBondContact O-N 3.29Å; S142-A144 PolarHBondContact O-N 3.21Å; S142-Q145 WeakPolarHBondContact O-CB 3.42Å; S142-Q145 PolarHBondContact O-N 3.49Å; S142-Q145 WeakPolarHBondContact OG-CB 3.48Å; S142-Q145 VanDerWaalsContact OG-CD 3.24Å; S142-Q145 VanDerWaalsContact OG-CG 3.23Å; S142-Q145 WeakPolarHBondContact OG-CG 3.37Å; S142-Q145 PolarHBondContact OG-N 3.31Å; S142-Q145 PolarHBondContact OG-OE1 3.44Å; S142-V146 WeakPolarHBondContact O-CG2 3.36Å; S142-V146 PolarHBondContact O-N 2.99Å
143	Y	98.4	Very high	97.5	Very high	33 Å²	33	69.3 Å²	69.3	13%	0.129	38%	0.379	C	S	.	.	H	α-helix	trans	-49.8	-44.6	170.5	172.5	-104.2	0	0	0	111.9	Y83 M106 Q114 Q145 V146 M147 L163	Y83-Y143 AromaticContact CD1-CE2 3.8Å; Y83-Y143 HydrophobicContact CD1-CE2 3.8Å; Y83-Y143 AromaticContact CD1-CZ 3.98Å; Y83-Y143 AromaticContact CD2-CD2 3.66Å; Y83-Y143 HydrophobicContact CD2-CD2 3.66Å; Y83-Y143 AromaticContact CD2-CE2 3.59Å; Y83-Y143 HydrophobicContact CD2-CE2 3.59Å; Y83-Y143 HydrophobicContact CD2-CG 4.42Å; Y83-Y143 HydrophobicContact CE1-CE1 4.22Å; Y83-Y143 AromaticContact CE1-CE2 3.8Å; Y83-Y143 HydrophobicContact CE1-CE2 3.8Å; Y83-Y143 AromaticContact CE1-CZ 3.57Å; Y83-Y143 WeakPolarHBondContact CE1-OH 3.33Å; Y83-Y143 HydrophobicContact CE2-CD1 4.24Å; Y83-Y143 AromaticContact CE2-CD2 3.57Å; Y83-Y143 HydrophobicContact CE2-CD2 3.57Å; Y83-Y143 HydrophobicContact CE2-CE1 4.27Å; Y83-Y143 AromaticContact CE2-CE2 3.59Å; Y83-Y143 HydrophobicContact CE2-CE2 3.59Å; Y83-Y143 AromaticContact CE2-CG 3.9Å; Y83-Y143 HydrophobicContact CE2-CG 3.9Å; Y83-Y143 AromaticContact CE2-CZ 3.95Å; Y83-Y143 HydrophobicContact CG-CD2 4.22Å; Y83-Y143 AromaticContact CG-CE2 3.69Å; Y83-Y143 HydrophobicContact CG-CE2 3.69Å; Y83-Y143 AromaticContact CZ-CE1 3.82Å; Y83-Y143 AromaticContact CZ-CE2 3.69Å; Y83-Y143 AromaticContact CZ-CZ 3.55Å; M106-Y143 HydrophobicContact SD-CD2 4.2Å; Q114-Y143 PolarHBondContact O-N 3.37Å; Y143-Q145 VanDerWaalsContact C-N 3.33Å; Y143-Q145 PolarHBondContact O-N 3.03Å; Y143-V146 PolarHBondContact O-N 3.31Å; Y143-V146 VanDerWaalsContact O-N 3.16Å; Y143-M147 HydrophobicContact CD1-CG 4.23Å; Y143-M147 HydrophobicContact CD2-CE 4.39Å; Y143-M147 HydrophobicContact CD2-CG 3.99Å; Y143-M147 HydrophobicContact CE1-CG 3.76Å; Y143-M147 HydrophobicContact CE2-CE 3.94Å; Y143-M147 HydrophobicContact CE2-CG 3.49Å; Y143-M147 VanDerWaalsContact CE2-CG 3.49Å; Y143-M147 HydrophobicContact CE2-SD 3.79Å; Y143-M147 HydrophobicContact CG-CG 4.34Å; Y143-M147 WeakPolarHBondContact O-CG 3.42Å; Y143-M147 PolarHBondContact O-N 2.94Å; Y143-L163 WeakPolarHBondContact CE2-O 3.17Å; Y143-L163 PolarHBondContact OH-O 3.13Å
144	A	97.4	Very high	97.3	Very high	35 Å²	35	70.3 Å²	70.3	29%	0.289	39%	0.39	S	S	.	.	H	α-helix	trans	-62.1	-36.3	179	0	0	0	0	0	113.3	S142 R148	S142-A144 PolarHBondContact O-N 3.21Å; A144-R148 WeakPolarHBondContact O-CD 3.07Å; A144-R148 VanDerWaalsContact O-CG 3.22Å; A144-R148 WeakPolarHBondContact O-CG 3.45Å; A144-R148 PolarHBondContact O-N 3.03Å
145	Q	98.1	Very high	97.2	Very high	110 Å²	110	72.4 Å²	72.4	51%	0.514	40%	0.403	S	S	.	.	H	α-helix	trans	-69.3	-42.3	173.6	-75.1	163.9	-44.6	0	0	111.4	S142 Y143 M147 R148 T149	S142-Q145 WeakPolarHBondContact O-CB 3.42Å; S142-Q145 PolarHBondContact O-N 3.49Å; S142-Q145 WeakPolarHBondContact OG-CB 3.48Å; S142-Q145 VanDerWaalsContact OG-CD 3.24Å; S142-Q145 VanDerWaalsContact OG-CG 3.23Å; S142-Q145 WeakPolarHBondContact OG-CG 3.37Å; S142-Q145 PolarHBondContact OG-N 3.31Å; S142-Q145 PolarHBondContact OG-OE1 3.44Å; Y143-Q145 VanDerWaalsContact C-N 3.33Å; Y143-Q145 PolarHBondContact O-N 3.03Å; Q145-M147 PolarHBondContact O-N 3.14Å; Q145-R148 PolarHBondContact O-N 3.45Å; Q145-T149 PolarHBondContact O-N 2.6Å; Q145-T149 PolarHBondContact O-OG1 3.07Å; Q145-T149 VanDerWaalsContact O-OG1 3.07Å
146	V	98.1	Very high	97.2	Very high	11 Å²	11	67.7 Å²	67.7	7%	0.067	38%	0.379	C	S	.	.	H	α-helix	trans	-61.7	-46.3	177.9	-175.9	0	0	0	0	110.7	M106 V116 A141 S142 Y143 R148 T149 V160 V161	M106-V146 HydrophobicContact CE-CB 4.2Å; M106-V146 HydrophobicContact CE-CG1 3.64Å; M106-V146 HydrophobicContact CE-CG2 4.24Å; V116-V146 HydrophobicContact CG2-CG2 4.23Å; A141-V146 HydrophobicContact CB-CG2 4.47Å; S142-V146 WeakPolarHBondContact O-CG2 3.36Å; S142-V146 PolarHBondContact O-N 2.99Å; Y143-V146 PolarHBondContact O-N 3.31Å; Y143-V146 VanDerWaalsContact O-N 3.16Å; V146-R148 PolarHBondContact O-N 2.93Å; V146-T149 VanDerWaalsContact O-CB 3.25Å; V146-T149 WeakPolarHBondContact O-CB 3.29Å; V146-T149 PolarHBondContact O-N 3.35Å; V146-T149 PolarHBondContact O-OG1 3.2Å; V146-V160 HydrophobicContact CG1-CG1 4.3Å; V146-V161 HydrophobicContact CG1-CG1 3.98Å
147	M	97.3	Very high	97.2	Very high	47 Å²	47	68.4 Å²	68.4	23%	0.232	38%	0.38	C	S	.	.	H	α-helix	trans	-67.5	-16.7	178.5	-67	-58.6	102.4	0	0	114.7	Y143 Q145 V160 L163	Y143-M147 HydrophobicContact CD1-CG 4.23Å; Y143-M147 HydrophobicContact CD2-CE 4.39Å; Y143-M147 HydrophobicContact CD2-CG 3.99Å; Y143-M147 HydrophobicContact CE1-CG 3.76Å; Y143-M147 HydrophobicContact CE2-CE 3.94Å; Y143-M147 HydrophobicContact CE2-CG 3.49Å; Y143-M147 VanDerWaalsContact CE2-CG 3.49Å; Y143-M147 HydrophobicContact CE2-SD 3.79Å; Y143-M147 HydrophobicContact CG-CG 4.34Å; Y143-M147 WeakPolarHBondContact O-CG 3.42Å; Y143-M147 PolarHBondContact O-N 2.94Å; Q145-M147 PolarHBondContact O-N 3.14Å; M147-V160 WeakPolarHBondContact CE-O 3.48Å; M147-L163 HydrophobicContact CE-CB 4.19Å; M147-L163 VanDerWaalsContact SD-O 3.42Å
148	R	97.1	Very high	97.2	Very high	213 Å²	213	68.6 Å²	68.6	80%	0.804	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-8.1	173.7	-73.2	172.6	-177.7	-177.6	1.9	112.8	A144 Q145 V146	A144-R148 WeakPolarHBondContact O-CD 3.07Å; A144-R148 VanDerWaalsContact O-CG 3.22Å; A144-R148 WeakPolarHBondContact O-CG 3.45Å; A144-R148 PolarHBondContact O-N 3.03Å; Q145-R148 PolarHBondContact O-N 3.45Å; V146-R148 PolarHBondContact O-N 2.93Å
149	T	97.8	Very high	97.2	Very high	80 Å²	80	64.1 Å²	64.1	49%	0.491	36%	0.362	S	S	.	.	S	Bend	trans	-75.1	131.9	177.6	-57	0	0	0	0	109.8	Q145 V146 V161	Q145-T149 PolarHBondContact O-N 2.6Å; Q145-T149 PolarHBondContact O-OG1 3.07Å; Q145-T149 VanDerWaalsContact O-OG1 3.07Å; V146-T149 VanDerWaalsContact O-CB 3.25Å; V146-T149 WeakPolarHBondContact O-CB 3.29Å; V146-T149 PolarHBondContact O-N 3.35Å; V146-T149 PolarHBondContact O-OG1 3.2Å; T149-V161 HydrophobicContact CG2-CG1 4.06Å
150	V	97.8	Very high	97.2	Very high	135 Å²	135	59.3 Å²	59.3	82%	0.818	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-77	125.1	174.6	-179.9	0	0	0	0	109.2
151	G	96.6	Very high	97.2	Very high	33 Å²	33	58.4 Å²	58.4	34%	0.34	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-71.1	148.3	176.9	0	0	0	0	0	112.7
152	I	98	Very high	97	Very high	130 Å²	130	61.9 Å²	61.9	67%	0.667	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-88.1	124.5	169.6	-57.9	174.4	0	0	0	107.6	T155 E158	I152-T155 HydrophobicContact CB-CG2 4.04Å; I152-T155 HydrophobicContact CG2-CG2 3.77Å; I152-T155 WeakPolarHBondContact O-CB 3.12Å; I152-T155 WeakPolarHBondContact O-CG2 2.93Å; I152-T155 PolarHBondContact O-N 3.26Å; I152-T155 PolarHBondContact O-OG1 2.92Å; I152-E158 WeakPolarHBondContact O-CB 3.34Å
153	H	95.8	Very high	96.9	Very high	135 Å²	135	61.5 Å²	61.5	63%	0.625	33%	0.325	S	S	*	.	S	Bend	trans	-119.5	136.5	-174.1	-173.9	74.1	0	0	0	112.5	E158	H153-E158 WeakPolarHBondContact CA-OE1 3.42Å; H153-E158 IonicContact CE1-OE1 2.68Å; H153-E158 IonicContact CG-OE1 2.7Å; H153-E158 IonicContact ND1-OE1 3.51Å; H153-E158 PolarHBondContact ND1-OE1 2.89Å; H153-E158 IonicContact ND1-OE2 3.56Å; H153-E158 PolarHBondContact ND1-OE2 3.27Å
154	P	94.4	Very high	96.7	Very high	66 Å²	66	69.7 Å²	69.7	43%	0.429	36%	0.356	S	S	.	.	S	Bend	cis	-85.1	127	-7.6	32.4	-31.3	0	0	0	111.9	L90 E158	L90-P154 HydrophobicContact CB-CB 4.48Å; L90-P154 HydrophobicContact CD2-CB 3.68Å; L90-P154 HydrophobicContact CD2-CG 3.54Å; P154-E158 WeakPolarHBondContact CA-OE1 3.47Å
155	T	96.6	Very high	96.7	Very high	50 Å²	50	70.3 Å²	70.3	31%	0.307	35%	0.354	S	S	.	.			trans	-139.7	161.6	170.3	68	0	0	0	0	112.1	I152 S157 E158	I152-T155 HydrophobicContact CB-CG2 4.04Å; I152-T155 HydrophobicContact CG2-CG2 3.77Å; I152-T155 WeakPolarHBondContact O-CB 3.12Å; I152-T155 WeakPolarHBondContact O-CG2 2.93Å; I152-T155 PolarHBondContact O-N 3.26Å; I152-T155 PolarHBondContact O-OG1 2.92Å; T155-S157 VanDerWaalsContact C-N 3.31Å; T155-E158 PolarHBondContact N-OE1 3.04Å; T155-E158 WeakPolarHBondContact O-CG 3.38Å; T155-E158 PolarHBondContact OG1-N 3.39Å; T155-E158 VanDerWaalsContact OG1-N 3.13Å
156	C	96.1	Very high	96.7	Very high	16 Å²	16	65.8 Å²	65.8	11%	0.108	33%	0.334	C	S	.	.	S	Bend	trans	-74.2	-27.2	168.1	-62.3	0	0	0	0	111.8	Y87 F121 E159	Y87-C156 HydrophobicContact CE2-CB 3.87Å; F121-C156 HydrophobicContact CZ-CB 3.91Å; C156-E159 WeakPolarHBondContact O-CB 3.11Å; C156-E159 WeakPolarHBondContact O-CG 3.49Å; C156-E159 PolarHBondContact O-N 3.38Å
157	S	97.3	Very high	96.7	Very high	39 Å²	39	69.2 Å²	69.2	27%	0.273	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-70.8	-30.6	-176.3	-165.1	0	0	0	0	113.1	T155 E159 V160	T155-S157 VanDerWaalsContact C-N 3.31Å; S157-E159 PolarHBondContact O-N 2.7Å; S157-E159 VanDerWaalsContact O-N 3.08Å; S157-V160 PolarHBondContact O-N 3.12Å; S157-V160 VanDerWaalsContact O-N 3.12Å
158	E	97	Very high	96.7	Very high	20 Å²	20	71.7 Å²	71.7	9%	0.093	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-60.3	-19	176.4	56.1	166.8	131.1	0	0	113.4	I152 H153 P154 T155 V160 V161 K162	I152-E158 WeakPolarHBondContact O-CB 3.34Å; H153-E158 WeakPolarHBondContact CA-OE1 3.42Å; H153-E158 IonicContact CE1-OE1 2.68Å; H153-E158 IonicContact CG-OE1 2.7Å; H153-E158 IonicContact ND1-OE1 3.51Å; H153-E158 PolarHBondContact ND1-OE1 2.89Å; H153-E158 IonicContact ND1-OE2 3.56Å; H153-E158 PolarHBondContact ND1-OE2 3.27Å; P154-E158 WeakPolarHBondContact CA-OE1 3.47Å; T155-E158 PolarHBondContact N-OE1 3.04Å; T155-E158 WeakPolarHBondContact O-CG 3.38Å; T155-E158 PolarHBondContact OG1-N 3.39Å; T155-E158 VanDerWaalsContact OG1-N 3.13Å; E158-V160 PolarHBondContact O-N 3.08Å; E158-V161 HydrophobicContact CB-CG2 4.47Å; E158-V161 WeakPolarHBondContact O-CG2 3.23Å; E158-V161 PolarHBondContact O-N 3.16Å; E158-V161 VanDerWaalsContact O-N 3.15Å; E158-K162 WeakPolarHBondContact O-CE 3.22Å; E158-K162 WeakPolarHBondContact O-CG 3.3Å; E158-K162 PolarHBondContact O-N 3.15Å; E158-K162 IonicContact OE2-NZ 2.77Å; E158-K162 PolarHBondContact OE2-NZ 3.4Å
159	E	95.9	Very high	96.7	Very high	29 Å²	29	64.4 Å²	64.4	14%	0.136	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-62.2	-31.5	176.3	-60.1	-56.1	145.2	0	0	112.3	Y87 V104 C156 S157 V161 K162 L163	Y87-E159 HydrophobicContact CD1-CG 4.46Å; Y87-E159 HydrophobicContact CD2-CG 3.79Å; Y87-E159 HydrophobicContact CG-CB 4.36Å; Y87-E159 HydrophobicContact CG-CG 3.73Å; V104-E159 HydrophobicContact CG1-CB 4.2Å; C156-E159 WeakPolarHBondContact O-CB 3.11Å; C156-E159 WeakPolarHBondContact O-CG 3.49Å; C156-E159 PolarHBondContact O-N 3.38Å; S157-E159 PolarHBondContact O-N 2.7Å; S157-E159 VanDerWaalsContact O-N 3.08Å; E159-V161 PolarHBondContact O-N 2.78Å; E159-K162 VanDerWaalsContact CD-CE 3.42Å; E159-K162 PolarHBondContact O-N 3.31Å; E159-K162 VanDerWaalsContact O-N 3.08Å; E159-K162 VanDerWaalsContact OE1-CE 3.3Å; E159-K162 WeakPolarHBondContact OE1-CE 3.49Å; E159-K162 IonicContact OE1-NZ 3Å; E159-K162 PolarHBondContact OE1-NZ 3.15Å; E159-K162 VanDerWaalsContact OE2-CE 3.23Å; E159-K162 WeakPolarHBondContact OE2-CE 3.42Å; E159-K162 IonicContact OE2-NZ 2.72Å; E159-L163 WeakPolarHBondContact O-CG 3.28Å; E159-L163 PolarHBondContact O-N 3.47Å
160	V	97.6	Very high	96.6	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-62.9	-31.9	177.3	-178.2	0	0	0	0	111.8	V104 M106 L119 F121 V129 F133 V146 M147 S157 E158 K162	V104-V160 HydrophobicContact CG2-CG2 4.05Å; M106-V160 HydrophobicContact CE-CG1 3.57Å; L119-V160 HydrophobicContact CD1-CG1 3.86Å; L119-V160 HydrophobicContact CD1-CG2 4.31Å; L119-V160 HydrophobicContact CD2-CG1 4.27Å; L119-V160 HydrophobicContact CD2-CG2 4.46Å; F121-V160 HydrophobicContact CD2-CG2 4.23Å; F121-V160 HydrophobicContact CE2-CG2 4.43Å; V129-V160 HydrophobicContact CG1-CG2 4.32Å; F133-V160 HydrophobicContact CD1-CG1 3.97Å; F133-V160 HydrophobicContact CD2-CG1 4.25Å; F133-V160 HydrophobicContact CD2-CG2 4.24Å; F133-V160 HydrophobicContact CE1-CB 4.08Å; F133-V160 HydrophobicContact CE1-CG1 3.48Å; F133-V160 VanDerWaalsContact CE1-CG1 3.48Å; F133-V160 HydrophobicContact CE2-CB 3.72Å; F133-V160 HydrophobicContact CE2-CG1 3.81Å; F133-V160 HydrophobicContact CE2-CG2 3.64Å; F133-V160 HydrophobicContact CG-CG1 4.34Å; F133-V160 HydrophobicContact CZ-CB 3.47Å; F133-V160 VanDerWaalsContact CZ-CB 3.47Å; F133-V160 HydrophobicContact CZ-CG1 3.41Å; F133-V160 VanDerWaalsContact CZ-CG1 3.41Å; F133-V160 HydrophobicContact CZ-CG2 3.97Å; V146-V160 HydrophobicContact CG1-CG1 4.3Å; M147-V160 WeakPolarHBondContact CE-O 3.48Å; S157-V160 PolarHBondContact O-N 3.12Å; S157-V160 VanDerWaalsContact O-N 3.12Å; E158-V160 PolarHBondContact O-N 3.08Å; V160-K162 VanDerWaalsContact C-N 3.34Å
161	V	97.2	Very high	96.5	Very high	17 Å²	17	62.6 Å²	62.6	10%	0.103	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-90.8	3.6	178.9	-55.7	0	0	0	0	113.2	V146 T149 E158 E159	V146-V161 HydrophobicContact CG1-CG1 3.98Å; T149-V161 HydrophobicContact CG2-CG1 4.06Å; E158-V161 HydrophobicContact CB-CG2 4.47Å; E158-V161 WeakPolarHBondContact O-CG2 3.23Å; E158-V161 PolarHBondContact O-N 3.16Å; E158-V161 VanDerWaalsContact O-N 3.15Å; E159-V161 PolarHBondContact O-N 2.78Å
162	K	95	Very high	96.4	Very high	91 Å²	91	66 Å²	66	40%	0.396	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-113.8	4.5	178	-66.7	-178.6	-60.9	-172.1	0	113.6	E158 E159 V160 R164	E158-K162 WeakPolarHBondContact O-CE 3.22Å; E158-K162 WeakPolarHBondContact O-CG 3.3Å; E158-K162 PolarHBondContact O-N 3.15Å; E158-K162 IonicContact OE2-NZ 2.77Å; E158-K162 PolarHBondContact OE2-NZ 3.4Å; E159-K162 VanDerWaalsContact CD-CE 3.42Å; E159-K162 PolarHBondContact O-N 3.31Å; E159-K162 VanDerWaalsContact O-N 3.08Å; E159-K162 VanDerWaalsContact OE1-CE 3.3Å; E159-K162 WeakPolarHBondContact OE1-CE 3.49Å; E159-K162 IonicContact OE1-NZ 3Å; E159-K162 PolarHBondContact OE1-NZ 3.15Å; E159-K162 VanDerWaalsContact OE2-CE 3.23Å; E159-K162 WeakPolarHBondContact OE2-CE 3.42Å; E159-K162 IonicContact OE2-NZ 2.72Å; V160-K162 VanDerWaalsContact C-N 3.34Å; K162-R164 PolarHBondContact O-N 2.93Å
163	L	95.7	Very high	96.1	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	32%	0.32	C	S	.	.			trans	-67.8	96.3	-178.6	-69.5	179.4	0	0	0	113	A85 V104 M106 Y143 M147 E159	A85-L163 HydrophobicContact CB-CD2 3.82Å; V104-L163 HydrophobicContact CG1-CD2 3.71Å; V104-L163 HydrophobicContact CG2-CD1 4.03Å; V104-L163 HydrophobicContact CG2-CD2 4.36Å; M106-L163 HydrophobicContact CB-CD1 3.63Å; M106-L163 HydrophobicContact CE-CD1 4.04Å; Y143-L163 WeakPolarHBondContact CE2-O 3.17Å; Y143-L163 PolarHBondContact OH-O 3.13Å; M147-L163 HydrophobicContact CE-CB 4.19Å; M147-L163 VanDerWaalsContact SD-O 3.42Å; E159-L163 WeakPolarHBondContact O-CG 3.28Å; E159-L163 PolarHBondContact O-N 3.47Å
164	R	94.9	Very high	95.8	Very high	206 Å²	206	57.7 Å²	57.7	78%	0.777	31%	0.31	S	S	*	.			trans	-110.3	-24.9	179.4	-65.3	-175.9	-178.7	165.1	2.9	114.8	K162	K162-R164 PolarHBondContact O-N 2.93Å
165	I	97.1	Very high	94.7	Very high	48 Å²	48	58.6 Å²	58.6	25%	0.246	31%	0.314	C	S	.	.			trans	-81.8	126	-177.9	-63.1	179.2	0	0	0	108.3	Y83 H84 L171 D172	Y83-I165 CarbonylContact C-O 3.53Å; Y83-I165 VanDerWaalsContact CA-O 3.25Å; Y83-I165 WeakPolarHBondContact CA-O 3.05Å; H84-I165 PolarHBondContact CD2-O 2.87Å; H84-I165 PolarHBondContact N-O 2.87Å; I165-L171 HydrophobicContact CG2-CB 3.93Å; I165-D172 WeakPolarHBondContact CD1-O 3.33Å
166	S	97.8	Very high	92.7	Very high	14 Å²	14	62.6 Å²	62.6	10%	0.098	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-104.7	145.8	173.9	95.7	0	0	0	0	111.4	E81 V82 R168 S169	E81-S166 VanDerWaalsContact OE1-CB 3.22Å; E81-S166 WeakPolarHBondContact OE1-CB 3.41Å; E81-S166 PolarHBondContact OE1-OG 3.07Å; V82-S166 CarbonylContact O-C 3.56Å; V82-S166 WeakPolarHBondContact O-CA 3.42Å; S166-R168 PolarHBondContact O-N 3.33Å; S166-R168 PolarHBondContact OG-N 2.83Å; S166-S169 WeakPolarHBondContact O-CB 3.39Å; S166-S169 PolarHBondContact O-N 3.08Å; S166-S169 PolarHBondContact O-OG 3.39Å; S166-S169 PolarHBondContact OG-N 2.7Å
167	K	98.1	Very high	90.7	Very high	84 Å²	84	64.7 Å²	64.7	37%	0.365	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-55.6	-37.3	175.8	-77.7	-173.2	167.2	-176.1	0	112.5	E68 V82 S169 G170	E68-K167 WeakPolarHBondContact OE1-CD 3.38Å; E68-K167 IonicContact OE1-NZ 2.77Å; E68-K167 PolarHBondContact OE1-NZ 2.73Å; E68-K167 IonicContact OE2-NZ 3.39Å; E68-K167 PolarHBondContact OE2-NZ 3.04Å; V82-K167 HydrophobicContact CB-CB 4.38Å; V82-K167 HydrophobicContact CB-CD 4.03Å; V82-K167 HydrophobicContact CB-CG 4.23Å; V82-K167 HydrophobicContact CG1-CD 3.88Å; V82-K167 HydrophobicContact CG1-CG 4.22Å; V82-K167 PolarHBondContact O-N 3.48Å; K167-S169 PolarHBondContact O-N 2.93Å; K167-G170 PolarHBondContact O-N 2.77Å
168	R	97.3	Very high	88.2	Confident	99 Å²	99	68.9 Å²	68.9	37%	0.374	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-63.7	-28.8	178.2	-169.1	-177.4	-62.6	-97.2	-1.1	112.4	Q77 E78 V80 E81 S166 G170	Q77-R168 PolarHBondContact O-NH2 3.13Å; E78-R168 IonicContact OE2-NH1 2.78Å; E78-R168 PolarHBondContact OE2-NH1 3.34Å; V80-R168 PolarHBondContact O-NH2 3.43Å; E81-R168 WeakPolarHBondContact OE1-CB 3.43Å; E81-R168 IonicContact OE1-NE 3.01Å; E81-R168 IonicContact OE2-NE 3.94Å; S166-R168 PolarHBondContact O-N 3.33Å; S166-R168 PolarHBondContact OG-N 2.83Å; R168-G170 VanDerWaalsContact C-N 3.26Å; R168-G170 PolarHBondContact O-N 2.92Å
169	S	97	Very high	85.7	Confident	59 Å²	59	73.5 Å²	73.5	41%	0.413	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-69.9	-22.1	178	76.1	0	0	0	0	113.6	S166 K167 L171	S166-S169 WeakPolarHBondContact O-CB 3.39Å; S166-S169 PolarHBondContact O-N 3.08Å; S166-S169 PolarHBondContact O-OG 3.39Å; S166-S169 PolarHBondContact OG-N 2.7Å; K167-S169 PolarHBondContact O-N 2.93Å; S169-L171 PolarHBondContact O-N 3.38Å; S169-L171 PolarHBondContact OG-N 3.08Å
170	G	96.4	Very high	83.4	Confident	67 Å²	67	79.6 Å²	79.6	69%	0.691	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	6.5	-176.5	0	0	0	0	0	114.9	K167 R168	K167-G170 PolarHBondContact O-N 2.77Å; R168-G170 VanDerWaalsContact C-N 3.26Å; R168-G170 PolarHBondContact O-N 2.92Å
171	L	95.3	Very high	82.7	Confident	111 Å²	111	83.6 Å²	83.6	58%	0.581	52%	0.519	S	S	*	.			trans	-72.2	152.5	175.8	-61.7	173.8	0	0	0	111.1	I165 S169 P173	I165-L171 HydrophobicContact CG2-CB 3.93Å; S169-L171 PolarHBondContact O-N 3.38Å; S169-L171 PolarHBondContact OG-N 3.08Å; L171-P173 WeakPolarHBondContact O-CD 3.35Å
172	D	93.6	Very high	82	Confident	105 Å²	105	87.1 Å²	87.1	56%	0.561	54%	0.541	S	S	*	.			trans	-69.6	120	178.2	-174.6	-11.5	0	0	0	110.8	I165 T174	I165-D172 WeakPolarHBondContact CD1-O 3.33Å; D172-T174 PolarHBondContact O-N 3.02Å; D172-T174 WeakPolarHBondContact OD1-CB 3.27Å; D172-T174 PolarHBondContact OD1-N 3.2Å; D172-T174 PolarHBondContact OD1-OG1 3.04Å
173	P	93	Very high	81.2	Confident	21 Å²	21	86.8 Å²	86.8	14%	0.136	55%	0.549	C	S	.	.			trans	-74.6	-1.9	179	32	-37.1	0	0	0	114.2	A85 H86 L171 V175	A85-P173 WeakPolarHBondContact CA-O 3.46Å; H86-P173 PolarHBondContact N-O 3.27Å; L171-P173 WeakPolarHBondContact O-CD 3.35Å; P173-V175 PolarHBondContact O-N 3.22Å
174	T	89.5	Confident	80.4	Confident	68 Å²	68	91.9 Å²	91.9	42%	0.417	58%	0.581	S	S	.	*	B	Isolated β-bridge	trans	-73.3	118.7	-178.8	-49.8	0	0	0	0	110.5	D172 T176	D172-T174 PolarHBondContact O-N 3.02Å; D172-T174 WeakPolarHBondContact OD1-CB 3.27Å; D172-T174 PolarHBondContact OD1-N 3.2Å; D172-T174 PolarHBondContact OD1-OG1 3.04Å; T174-T176 PolarHBondContact O-N 3.32Å
175	V	69.7	Low	79.5	Confident	86 Å²	86	84.8 Å²	84.8	52%	0.521	57%	0.569	S	S	.	*			trans	-70.8	103.1	173.5	177	0	0	0	0	109.1	A85 H86 P173 G177	A85-V175 HydrophobicContact CB-CG2 4.49Å; H86-V175 WeakPolarHBondContact O-CG2 3.36Å; P173-V175 PolarHBondContact O-N 3.22Å; V175-G177 PolarHBondContact O-N 3.34Å; V175-G177 VanDerWaalsContact O-N 3.13Å
176	T	54.9	Low	78.3	Confident	134 Å²	134	87.2 Å²	87.2	82%	0.822	59%	0.59	S	S	*	*			trans	-75.3	94.5	174.1	38.2	0	0	0	0	111.1	T174	T174-T176 PolarHBondContact O-N 3.32Å
177	G	54.3	Low	76.9	Confident	60 Å²	60	92.4 Å²	92.4	62%	0.619	63%	0.626	S	S	*	*	S	Bend	trans	81.4	168.1	158.1	0	0	0	0	0	117.5	V175 C179	V175-G177 PolarHBondContact O-N 3.34Å; V175-G177 VanDerWaalsContact O-N 3.13Å; G177-C179 PolarHBondContact O-N 3.45Å; G177-C179 VanDerWaalsContact O-N 3.08Å
178	C	45.4	Very low	75.3	Confident	126 Å²	126	93.1 Å²	93.1	85%	0.851	65%	0.646	S	S	*	*	S	Bend	trans	-60.4	106.9	-174.6	-64.4	0	0	0	0	112.5
179	C	45	Very low	73.5	Confident	118 Å²	118	92.6 Å²	92.6	80%	0.797	67%	0.668	S	S	*	*			trans	58.7	115.5	153	-51.7	0	0	0	0	117.7	G177	G177-C179 PolarHBondContact O-N 3.45Å; G177-C179 VanDerWaalsContact O-N 3.08Å
180	G	47.3	Very low	71.3	Confident	156 Å²	156	95.6 Å²	95.6	100%	1.608	69%	0.691	S	S	*	*			trans	156.1	0	161.7	0	0	0	0	0	113.4

Retrieved 180 of 180 residues in 32.3 ms (Link to these results)

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