A0A087YCS2_POEFO Loading...

Thioredoxin domain-containing protein 9

Significantly diminishes the chaperonin TCP1 complex ATPase activity, thus negatively impacts protein folding, including that of actin or tubulin.

AlphaFold DB , UniProt , Accession A0A087YCS2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 217 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.8	Very low	65	Low	243 Å²	243	115 Å²	115	100%	1.197	63%	0.632	S	S	*	*				0	103.2	0	-73.2	179.4	-124.1	0	0	107.1	I3	M1-I3 PolarHBondContact O-N 3.23Å
2	A	53.1	Low	66.1	Low	98 Å²	98	113.8 Å²	113.8	81%	0.81	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-78.1	119	-179.1	0	0	0	0	0	108.5
3	I	57.8	Low	67.2	Low	126 Å²	126	114.5 Å²	114.5	65%	0.646	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-66.5	122.3	170.5	-30.4	178.2	0	0	0	105.6	M1 V5	M1-I3 PolarHBondContact O-N 3.23Å; I3-V5 PolarHBondContact O-N 3.05Å
4	P	61.7	Low	68	Low	65 Å²	65	114.9 Å²	114.9	42%	0.422	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-62.7	125.9	-174.4	-14.2	24.8	0	0	0	109.5	E6 I7	P4-E6 PolarHBondContact O-N 3.25Å; P4-I7 HydrophobicContact CB-CD1 4.44Å; P4-I7 HydrophobicContact CB-CG1 4.23Å; P4-I7 HydrophobicContact CG-CD1 3.88Å; P4-I7 HydrophobicContact CG-CG1 4.22Å; P4-I7 PolarHBondContact O-N 2.89Å
5	V	64.1	Low	68.3	Low	112 Å²	112	112.3 Å²	112.3	68%	0.679	60%	0.604	S	S	*	*	H	α-helix	trans	-52.3	-29.6	179.6	179.3	0	0	0	0	111.8	I3 I7 I8 S9	I3-V5 PolarHBondContact O-N 3.05Å; V5-I7 VanDerWaalsContact C-N 3.34Å; V5-I7 PolarHBondContact O-N 3.12Å; V5-I8 PolarHBondContact O-N 3.04Å; V5-S9 PolarHBondContact O-N 3.01Å
6	E	65.4	Low	68.9	Low	161 Å²	161	108.3 Å²	108.3	75%	0.752	59%	0.591	S	S	*	*	H	α-helix	trans	-59.9	-36	174.1	-71.2	178.6	145.6	0	0	114.1	P4 K10	P4-E6 PolarHBondContact O-N 3.25Å; E6-K10 WeakPolarHBondContact O-CB 3.36Å; E6-K10 PolarHBondContact O-N 3.4Å; E6-K10 VanDerWaalsContact O-N 3.12Å
7	I	70.9	Confident	69.7	Low	95 Å²	95	109.9 Å²	109.9	49%	0.487	59%	0.591	S	S	.	*	H	α-helix	trans	-70	-39.3	178.7	-58.7	-175	0	0	0	109.8	P4 V5 K10 V11	P4-I7 HydrophobicContact CB-CD1 4.44Å; P4-I7 HydrophobicContact CB-CG1 4.23Å; P4-I7 HydrophobicContact CG-CD1 3.88Å; P4-I7 HydrophobicContact CG-CG1 4.22Å; P4-I7 PolarHBondContact O-N 2.89Å; V5-I7 VanDerWaalsContact C-N 3.34Å; V5-I7 PolarHBondContact O-N 3.12Å; I7-K10 PolarHBondContact O-N 3.41Å; I7-V11 HydrophobicContact CG2-CG2 4.5Å; I7-V11 VanDerWaalsContact O-CG2 3.23Å; I7-V11 WeakPolarHBondContact O-CG2 3.28Å; I7-V11 PolarHBondContact O-N 3.28Å
8	I	70.8	Confident	70.5	Confident	87 Å²	87	107.7 Å²	107.7	45%	0.446	58%	0.582	S	S	.	*	H	α-helix	trans	-67.1	-45.7	179.3	-62.4	172.5	0	0	0	110.5	V5 K10 V11 I12	V5-I8 PolarHBondContact O-N 3.04Å; I8-K10 VanDerWaalsContact C-N 3.31Å; I8-K10 PolarHBondContact O-N 2.96Å; I8-V11 PolarHBondContact O-N 2.97Å; I8-I12 HydrophobicContact CG2-CD1 3.84Å; I8-I12 HydrophobicContact CG2-CG1 4.5Å; I8-I12 VanDerWaalsContact O-CG1 3.28Å; I8-I12 WeakPolarHBondContact O-CG1 3.23Å; I8-I12 PolarHBondContact O-N 3.3Å
9	S	72.5	Confident	71.1	Confident	65 Å²	65	106.3 Å²	106.3	46%	0.455	58%	0.577	S	S	.	*	H	α-helix	trans	-59.1	-42	175.2	-77.2	0	0	0	0	112.5	V5 I12 E13	V5-S9 PolarHBondContact O-N 3.01Å; S9-I12 PolarHBondContact O-N 2.87Å; S9-E13 PolarHBondContact O-N 3.4Å
10	K	76	Confident	71.5	Confident	139 Å²	139	106.5 Å²	106.5	60%	0.604	58%	0.578	S	S	*	*	H	α-helix	trans	-67.5	-37.2	-179.9	-150.9	172.1	-168.8	175.8	0	112.3	E6 I7 I8 Q14	E6-K10 WeakPolarHBondContact O-CB 3.36Å; E6-K10 PolarHBondContact O-N 3.4Å; E6-K10 VanDerWaalsContact O-N 3.12Å; I7-K10 PolarHBondContact O-N 3.41Å; I8-K10 VanDerWaalsContact C-N 3.31Å; I8-K10 PolarHBondContact O-N 2.96Å; K10-Q14 WeakPolarHBondContact O-CB 3.38Å; K10-Q14 VanDerWaalsContact O-CG 3.31Å; K10-Q14 WeakPolarHBondContact O-CG 3.44Å; K10-Q14 PolarHBondContact O-N 3.03Å
11	V	77	Confident	72.1	Confident	74 Å²	74	107.9 Å²	107.9	45%	0.448	58%	0.58	S	S	.	*	H	α-helix	trans	-66.1	-42.2	173.6	170.8	0	0	0	0	110.9	I7 I8 Q14 T15	I7-V11 HydrophobicContact CG2-CG2 4.5Å; I7-V11 VanDerWaalsContact O-CG2 3.23Å; I7-V11 WeakPolarHBondContact O-CG2 3.28Å; I7-V11 PolarHBondContact O-N 3.28Å; I8-V11 PolarHBondContact O-N 2.97Å; V11-Q14 PolarHBondContact O-N 3.49Å; V11-T15 PolarHBondContact O-N 3.44Å; V11-T15 PolarHBondContact O-OG1 3.07Å
12	I	78.4	Confident	73.7	Confident	100 Å²	100	102 Å²	102	51%	0.513	55%	0.55	S	S	.	*	H	α-helix	trans	-62.7	-44.6	177.6	-68.7	166.6	0	0	0	111.1	I8 S9 Q14 T15 A16	I8-I12 HydrophobicContact CG2-CD1 3.84Å; I8-I12 HydrophobicContact CG2-CG1 4.5Å; I8-I12 VanDerWaalsContact O-CG1 3.28Å; I8-I12 WeakPolarHBondContact O-CG1 3.23Å; I8-I12 PolarHBondContact O-N 3.3Å; S9-I12 PolarHBondContact O-N 2.87Å; I12-Q14 PolarHBondContact O-N 3.44Å; I12-T15 VanDerWaalsContact CA-OG1 3.26Å; I12-T15 WeakPolarHBondContact CA-OG1 3.31Å; I12-T15 PolarHBondContact O-N 2.78Å; I12-T15 PolarHBondContact O-OG1 3.3Å; I12-A16 WeakPolarHBondContact O-CB 3.48Å; I12-A16 PolarHBondContact O-N 3.09Å
13	E	79.8	Confident	75.1	Confident	123 Å²	123	100.7 Å²	100.7	58%	0.575	53%	0.532	S	S	*	.	H	α-helix	trans	-62.6	-40.7	175.5	-82.3	-178	158.8	0	0	112.5	S9 A16 K17	S9-E13 PolarHBondContact O-N 3.4Å; E13-A16 PolarHBondContact O-N 3.36Å; E13-K17 WeakPolarHBondContact O-CG 3.26Å; E13-K17 PolarHBondContact O-N 3.47Å
14	Q	78.2	Confident	76.3	Confident	121 Å²	121	101.1 Å²	101.1	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-65.1	-41.7	175.5	-76.3	-179.1	-35.8	0	0	111.5	K10 V11 I12 K17 V18	K10-Q14 WeakPolarHBondContact O-CB 3.38Å; K10-Q14 VanDerWaalsContact O-CG 3.31Å; K10-Q14 WeakPolarHBondContact O-CG 3.44Å; K10-Q14 PolarHBondContact O-N 3.03Å; V11-Q14 PolarHBondContact O-N 3.49Å; I12-Q14 PolarHBondContact O-N 3.44Å; Q14-K17 PolarHBondContact O-N 2.92Å; Q14-V18 VanDerWaalsContact O-CG2 3.3Å; Q14-V18 WeakPolarHBondContact O-CG2 3.3Å; Q14-V18 PolarHBondContact O-N 3.18Å; Q14-V18 VanDerWaalsContact O-N 3.09Å
15	T	73.1	Confident	77.3	Confident	76 Å²	76	100.9 Å²	100.9	47%	0.466	54%	0.535	S	S	.	.	H	α-helix	trans	-66.5	-38.9	175.9	44.1	0	0	0	0	112.6	V11 I12 V18 V19	V11-T15 PolarHBondContact O-N 3.44Å; V11-T15 PolarHBondContact O-OG1 3.07Å; I12-T15 VanDerWaalsContact CA-OG1 3.26Å; I12-T15 WeakPolarHBondContact CA-OG1 3.31Å; I12-T15 PolarHBondContact O-N 2.78Å; I12-T15 PolarHBondContact O-OG1 3.3Å; T15-V18 PolarHBondContact O-N 2.89Å; T15-V19 VanDerWaalsContact O-CG2 3.28Å; T15-V19 WeakPolarHBondContact O-CG2 3.36Å; T15-V19 PolarHBondContact O-N 3.49Å
16	A	78.4	Confident	77.9	Confident	47 Å²	47	102.1 Å²	102.1	39%	0.388	53%	0.533	S	S	.	.	H	α-helix	trans	-62.1	-44.2	176.5	0	0	0	0	0	111.4	I12 E13 V18 V19 D20	I12-A16 WeakPolarHBondContact O-CB 3.48Å; I12-A16 PolarHBondContact O-N 3.09Å; E13-A16 PolarHBondContact O-N 3.36Å; A16-V18 PolarHBondContact O-N 2.93Å; A16-V19 PolarHBondContact O-N 2.99Å; A16-D20 PolarHBondContact O-N 3.33Å
17	K	81.9	Confident	78.4	Confident	136 Å²	136	98.9 Å²	98.9	59%	0.591	52%	0.52	S	S	*	.	H	α-helix	trans	-61.6	-43.3	176.3	-73.9	178.8	-179.8	-178.1	0	112.9	E13 Q14 V19 D20 E21	E13-K17 WeakPolarHBondContact O-CG 3.26Å; E13-K17 PolarHBondContact O-N 3.47Å; Q14-K17 PolarHBondContact O-N 2.92Å; K17-V19 VanDerWaalsContact C-N 3.29Å; K17-V19 PolarHBondContact O-N 3.44Å; K17-D20 PolarHBondContact O-N 2.9Å; K17-E21 WeakPolarHBondContact O-CB 3.46Å; K17-E21 WeakPolarHBondContact O-CG 3.48Å; K17-E21 PolarHBondContact O-N 3.48Å
18	V	84.3	Confident	78.9	Confident	71 Å²	71	97.1 Å²	97.1	43%	0.43	52%	0.516	S	S	.	.	H	α-helix	trans	-64.9	-36.4	177.8	171.3	0	0	0	0	111.3	Q14 T15 A16 Q22	Q14-V18 VanDerWaalsContact O-CG2 3.3Å; Q14-V18 WeakPolarHBondContact O-CG2 3.3Å; Q14-V18 PolarHBondContact O-N 3.18Å; Q14-V18 VanDerWaalsContact O-N 3.09Å; T15-V18 PolarHBondContact O-N 2.89Å; A16-V18 PolarHBondContact O-N 2.93Å; V18-Q22 WeakPolarHBondContact O-CB 3.25Å; V18-Q22 VanDerWaalsContact O-CG 3.25Å; V18-Q22 WeakPolarHBondContact O-CG 3.33Å; V18-Q22 PolarHBondContact O-N 3.23Å; V18-Q22 VanDerWaalsContact O-N 3.11Å
19	V	81.9	Confident	79.2	Confident	81 Å²	81	100.3 Å²	100.3	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-67.7	-45.7	175.1	171.3	0	0	0	0	110.8	T15 A16 K17 E21 Q22 V23	T15-V19 VanDerWaalsContact O-CG2 3.28Å; T15-V19 WeakPolarHBondContact O-CG2 3.36Å; T15-V19 PolarHBondContact O-N 3.49Å; A16-V19 PolarHBondContact O-N 2.99Å; K17-V19 VanDerWaalsContact C-N 3.29Å; K17-V19 PolarHBondContact O-N 3.44Å; V19-E21 PolarHBondContact O-N 3Å; V19-Q22 PolarHBondContact O-N 3.11Å; V19-V23 HydrophobicContact CG1-CG2 4.47Å; V19-V23 WeakPolarHBondContact O-CG2 3.33Å; V19-V23 PolarHBondContact O-N 3.39Å
20	D	78	Confident	79	Confident	109 Å²	109	103.1 Å²	103.1	58%	0.583	54%	0.537	S	S	*	.	H	α-helix	trans	-61.5	-44.1	178	-75.8	-17.6	0	0	0	111.7	A16 K17 Q22 V23 E24	A16-D20 PolarHBondContact O-N 3.33Å; K17-D20 PolarHBondContact O-N 2.9Å; D20-Q22 VanDerWaalsContact C-N 3.31Å; D20-Q22 PolarHBondContact O-N 3.21Å; D20-V23 PolarHBondContact O-N 2.89Å; D20-E24 WeakPolarHBondContact O-CB 3.28Å; D20-E24 PolarHBondContact O-N 3.29Å
21	E	85.6	Confident	79	Confident	137 Å²	137	103.1 Å²	103.1	64%	0.64	54%	0.543	S	S	*	.	H	α-helix	trans	-61.9	-37.5	175.8	-75.2	174.9	163.9	0	0	112.3	K17 V19 A25	K17-E21 WeakPolarHBondContact O-CB 3.46Å; K17-E21 WeakPolarHBondContact O-CG 3.48Å; K17-E21 PolarHBondContact O-N 3.48Å; V19-E21 PolarHBondContact O-N 3Å; E21-A25 WeakPolarHBondContact O-CB 3.33Å; E21-A25 PolarHBondContact O-N 3.06Å
22	Q	79.6	Confident	79	Confident	120 Å²	120	106 Å²	106	56%	0.561	55%	0.551	S	S	*	*	H	α-helix	trans	-68.1	-38.1	175	-76.4	177.6	21.1	0	0	112.4	V18 V19 D20 Q26	V18-Q22 WeakPolarHBondContact O-CB 3.25Å; V18-Q22 VanDerWaalsContact O-CG 3.25Å; V18-Q22 WeakPolarHBondContact O-CG 3.33Å; V18-Q22 PolarHBondContact O-N 3.23Å; V18-Q22 VanDerWaalsContact O-N 3.11Å; V19-Q22 PolarHBondContact O-N 3.11Å; D20-Q22 VanDerWaalsContact C-N 3.31Å; D20-Q22 PolarHBondContact O-N 3.21Å; Q22-Q26 WeakPolarHBondContact O-CG 3.48Å; Q22-Q26 PolarHBondContact O-N 3.02Å
23	V	81.2	Confident	79	Confident	69 Å²	69	104.4 Å²	104.4	42%	0.418	54%	0.543	S	S	.	.	H	α-helix	trans	-67.2	-45	176.8	171.3	0	0	0	0	110.6	V19 D20 A25 Q26 L27	V19-V23 HydrophobicContact CG1-CG2 4.47Å; V19-V23 WeakPolarHBondContact O-CG2 3.33Å; V19-V23 PolarHBondContact O-N 3.39Å; D20-V23 PolarHBondContact O-N 2.89Å; V23-A25 PolarHBondContact O-N 3.47Å; V23-Q26 PolarHBondContact O-N 3.23Å; V23-L27 HydrophobicContact CG1-CD1 3.81Å; V23-L27 PolarHBondContact O-N 2.95Å
24	E	83.5	Confident	79	Confident	135 Å²	135	104 Å²	104	63%	0.631	55%	0.545	S	S	*	.	H	α-helix	trans	-61.7	-43.1	177.6	-163.2	68.9	-133.5	0	0	111.4	D20 Q26 L27 S28	D20-E24 WeakPolarHBondContact O-CB 3.28Å; D20-E24 PolarHBondContact O-N 3.29Å; E24-Q26 VanDerWaalsContact C-N 3.33Å; E24-Q26 PolarHBondContact O-N 2.89Å; E24-L27 PolarHBondContact O-N 3.43Å; E24-S28 PolarHBondContact O-N 3.2Å
25	A	82.6	Confident	79	Confident	61 Å²	61	104.8 Å²	104.8	50%	0.504	55%	0.553	S	S	.	*	H	α-helix	trans	-64	-36.7	175.8	0	0	0	0	0	112.7	E21 V23 K29	E21-A25 WeakPolarHBondContact O-CB 3.33Å; E21-A25 PolarHBondContact O-N 3.06Å; V23-A25 PolarHBondContact O-N 3.47Å; A25-K29 WeakPolarHBondContact O-CB 3.36Å; A25-K29 PolarHBondContact O-N 3.47Å; A25-K29 VanDerWaalsContact O-N 3.15Å
26	Q	77.4	Confident	79.5	Confident	137 Å²	137	106.2 Å²	106.2	64%	0.64	56%	0.557	S	S	*	*	H	α-helix	trans	-69.4	-37.8	174.1	-76.2	-176.1	-5.9	0	0	112.2	Q22 V23 E24 L30	Q22-Q26 WeakPolarHBondContact O-CG 3.48Å; Q22-Q26 PolarHBondContact O-N 3.02Å; V23-Q26 PolarHBondContact O-N 3.23Å; E24-Q26 VanDerWaalsContact C-N 3.33Å; E24-Q26 PolarHBondContact O-N 2.89Å; Q26-L30 PolarHBondContact O-N 3.05Å
27	L	75.1	Confident	79.7	Confident	93 Å²	93	107.2 Å²	107.2	49%	0.487	56%	0.556	S	S	.	*	H	α-helix	trans	-66.7	-45.1	176.5	-109.2	116.6	0	0	0	112.2	V23 E24 K29 L30 N31	V23-L27 HydrophobicContact CG1-CD1 3.81Å; V23-L27 PolarHBondContact O-N 2.95Å; E24-L27 PolarHBondContact O-N 3.43Å; L27-K29 VanDerWaalsContact C-N 3.32Å; L27-K29 PolarHBondContact O-N 3.09Å; L27-L30 PolarHBondContact O-N 3.22Å; L27-N31 PolarHBondContact O-N 3.06Å
28	S	80.8	Confident	79.7	Confident	58 Å²	58	104.2 Å²	104.2	41%	0.406	55%	0.546	S	S	.	.	H	α-helix	trans	-56.8	-49.8	174.3	-173.2	0	0	0	0	110.5	E24 L30 N31 E32	E24-S28 PolarHBondContact O-N 3.2Å; S28-L30 PolarHBondContact O-N 3.18Å; S28-N31 PolarHBondContact O-N 2.96Å; S28-N31 VanDerWaalsContact O-N 3.09Å; S28-E32 WeakPolarHBondContact O-CG 3.39Å; S28-E32 PolarHBondContact O-N 2.89Å; S28-E32 PolarHBondContact OG-OE2 3.15Å
29	K	77.4	Confident	79.7	Confident	154 Å²	154	106.4 Å²	106.4	67%	0.67	55%	0.552	S	S	*	*	H	α-helix	trans	-59.7	-34.4	179.2	-171.1	173.5	-175.6	176	0	112.9	A25 L27 M33	A25-K29 WeakPolarHBondContact O-CB 3.36Å; A25-K29 PolarHBondContact O-N 3.47Å; A25-K29 VanDerWaalsContact O-N 3.15Å; L27-K29 VanDerWaalsContact C-N 3.32Å; L27-K29 PolarHBondContact O-N 3.09Å; K29-M33 WeakPolarHBondContact O-CG 3.35Å; K29-M33 PolarHBondContact O-N 3.49Å
30	L	69.7	Low	80.1	Confident	125 Å²	125	109.6 Å²	109.6	65%	0.654	56%	0.555	S	S	*	*	H	α-helix	trans	-72.5	-35.9	177.9	-136.9	76.4	0	0	0	112.4	Q26 L27 S28 E32 M33	Q26-L30 PolarHBondContact O-N 3.05Å; L27-L30 PolarHBondContact O-N 3.22Å; S28-L30 PolarHBondContact O-N 3.18Å; L30-E32 VanDerWaalsContact C-N 3.31Å; L30-M33 HydrophobicContact CD1-SD 4.03Å; L30-M33 PolarHBondContact O-N 3.49Å
31	N	74.3	Confident	80.4	Confident	138 Å²	138	107.7 Å²	107.7	74%	0.738	55%	0.545	S	S	*	.	H	α-helix	trans	-73.8	-24.4	175.4	-77.6	-24.3	0	0	0	112.6	L27 S28	L27-N31 PolarHBondContact O-N 3.06Å; S28-N31 PolarHBondContact O-N 2.96Å; S28-N31 VanDerWaalsContact O-N 3.09Å
32	E	78.3	Confident	80.6	Confident	134 Å²	134	107.5 Å²	107.5	63%	0.626	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	0.3	175.6	-69	174.7	103.9	0	0	113.3	S28 L30 D34	S28-E32 WeakPolarHBondContact O-CG 3.39Å; S28-E32 PolarHBondContact O-N 2.89Å; S28-E32 PolarHBondContact OG-OE2 3.15Å; L30-E32 VanDerWaalsContact C-N 3.31Å; E32-D34 PolarHBondContact O-N 3.34Å
33	M	77.1	Confident	81.1	Confident	67 Å²	67	107.7 Å²	107.7	33%	0.33	54%	0.543	S	S	.	.			trans	-74	116.7	173.2	-72.6	-178.6	66.5	0	0	110.1	K29 L30 D37 L41	K29-M33 WeakPolarHBondContact O-CG 3.35Å; K29-M33 PolarHBondContact O-N 3.49Å; L30-M33 HydrophobicContact CD1-SD 4.03Å; L30-M33 PolarHBondContact O-N 3.49Å; M33-D37 HydrophobicContact CE-CB 4.18Å; M33-L41 HydrophobicContact CE-CD2 4.32Å
34	D	80.4	Confident	81.5	Confident	115 Å²	115	112.4 Å²	112.4	62%	0.615	55%	0.553	S	S	*	*			trans	-71.8	162.9	173.7	-68.4	-53.9	0	0	0	112	E32 D36 D37 L38	E32-D34 PolarHBondContact O-N 3.34Å; D34-D36 PolarHBondContact O-N 3.47Å; D34-D37 PolarHBondContact O-N 3.36Å; D34-L38 PolarHBondContact O-N 2.98Å; D34-L38 VanDerWaalsContact O-N 3.1Å
35	D	79.4	Confident	81.9	Confident	138 Å²	138	114.4 Å²	114.4	74%	0.738	56%	0.555	S	S	*	*	H	α-helix	trans	-55.9	-35.1	179.8	-82.5	-25.9	0	0	0	112.7	L38 E39	D35-L38 PolarHBondContact O-N 3.19Å; D35-E39 PolarHBondContact O-N 3.22Å
36	D	82.7	Confident	82.4	Confident	105 Å²	105	115.8 Å²	115.8	56%	0.561	55%	0.553	S	S	*	*	H	α-helix	trans	-64.3	-38	175.2	-85.8	11.7	0	0	0	112.5	D34 E39 R40	D34-D36 PolarHBondContact O-N 3.47Å; D36-E39 PolarHBondContact O-N 3.1Å; D36-R40 WeakPolarHBondContact O-CG 3.44Å; D36-R40 PolarHBondContact O-N 3.19Å
37	D	83.6	Confident	83.2	Confident	69 Å²	69	116 Å²	116	37%	0.369	55%	0.554	S	S	.	*	H	α-helix	trans	-72.2	-35.2	177.5	-81.6	-27.7	0	0	0	111.3	M33 D34 R40 L41	M33-D37 HydrophobicContact CE-CB 4.18Å; D34-D37 PolarHBondContact O-N 3.36Å; D37-R40 IonicContact OD1-NH1 3.87Å; D37-L41 WeakPolarHBondContact O-CB 3.33Å; D37-L41 PolarHBondContact O-N 3.06Å
38	L	80.2	Confident	84	Confident	73 Å²	73	114.3 Å²	114.3	38%	0.382	55%	0.553	S	S	.	*	H	α-helix	trans	-65.9	-39.2	172.6	-170.5	66.1	0	0	0	111.4	D34 D35 L41 K42	D34-L38 PolarHBondContact O-N 2.98Å; D34-L38 VanDerWaalsContact O-N 3.1Å; D35-L38 PolarHBondContact O-N 3.19Å; L38-L41 PolarHBondContact O-N 3Å; L38-K42 WeakPolarHBondContact O-CG 3.35Å; L38-K42 PolarHBondContact O-N 3.14Å
39	E	85.9	Confident	84.5	Confident	116 Å²	116	117.2 Å²	117.2	54%	0.542	56%	0.564	S	S	.	*	H	α-helix	trans	-64.3	-48.3	175.5	-171.3	159.2	-127.6	0	0	111.7	D35 D36 L41 K42 E43	D35-E39 PolarHBondContact O-N 3.22Å; D36-E39 PolarHBondContact O-N 3.1Å; E39-L41 VanDerWaalsContact C-N 3.27Å; E39-L41 PolarHBondContact O-N 3.4Å; E39-K42 WeakPolarHBondContact O-CB 3.4Å; E39-K42 PolarHBondContact O-N 2.91Å; E39-K42 VanDerWaalsContact O-N 3.07Å; E39-E43 WeakPolarHBondContact O-CG 3.47Å; E39-E43 PolarHBondContact O-N 3.33Å
40	R	89	Confident	85.2	Confident	148 Å²	148	116 Å²	116	56%	0.558	56%	0.559	S	S	*	*	H	α-helix	trans	-58.2	-37.2	174.5	-72.7	171.6	178.6	175	2.7	112.9	D36 D37 R44	D36-R40 WeakPolarHBondContact O-CG 3.44Å; D36-R40 PolarHBondContact O-N 3.19Å; D37-R40 IonicContact OD1-NH1 3.87Å; R40-R44 WeakPolarHBondContact O-CB 3.32Å; R40-R44 PolarHBondContact O-N 3.03Å
41	L	85.3	Confident	86.4	Confident	70 Å²	70	117.3 Å²	117.3	37%	0.366	56%	0.559	S	S	.	*	H	α-helix	trans	-67	-41.1	176.6	-175.5	63.5	0	0	0	111.6	M33 D37 L38 E39 R44 R45	M33-L41 HydrophobicContact CE-CD2 4.32Å; D37-L41 WeakPolarHBondContact O-CB 3.33Å; D37-L41 PolarHBondContact O-N 3.06Å; L38-L41 PolarHBondContact O-N 3Å; E39-L41 VanDerWaalsContact C-N 3.27Å; E39-L41 PolarHBondContact O-N 3.4Å; L41-R44 PolarHBondContact O-N 3Å; L41-R45 WeakPolarHBondContact O-CG 3.4Å; L41-R45 PolarHBondContact O-N 3.06Å
42	K	88.8	Confident	87.2	Confident	133 Å²	133	113.2 Å²	113.2	58%	0.578	54%	0.544	S	S	*	.	H	α-helix	trans	-62.3	-46.2	174.9	-72.3	168.5	-177	165.6	0	111	L38 E39 R44 R45 L46	L38-K42 WeakPolarHBondContact O-CG 3.35Å; L38-K42 PolarHBondContact O-N 3.14Å; E39-K42 WeakPolarHBondContact O-CB 3.4Å; E39-K42 PolarHBondContact O-N 2.91Å; E39-K42 VanDerWaalsContact O-N 3.07Å; K42-R44 PolarHBondContact O-N 3.4Å; K42-R45 PolarHBondContact O-N 3.05Å; K42-L46 WeakPolarHBondContact O-CB 3.3Å; K42-L46 PolarHBondContact O-N 2.92Å
43	E	91.3	Very high	87.9	Confident	124 Å²	124	113.3 Å²	113.3	58%	0.579	55%	0.545	S	S	*	.	H	α-helix	trans	-58.1	-48.1	177.5	-71.1	-175.8	146.1	0	0	111.7	E39 R45 L46 E47	E39-E43 WeakPolarHBondContact O-CG 3.47Å; E39-E43 PolarHBondContact O-N 3.33Å; E43-R45 VanDerWaalsContact C-N 3.34Å; E43-R45 PolarHBondContact O-N 2.93Å; E43-L46 PolarHBondContact O-N 3.02Å; E43-E47 WeakPolarHBondContact O-CB 3.48Å; E43-E47 PolarHBondContact O-N 2.94Å
44	R	89.9	Confident	88.7	Confident	168 Å²	168	117.5 Å²	117.5	63%	0.634	56%	0.561	S	S	*	*	H	α-helix	trans	-60.8	-41.9	178.1	-172.7	-178.2	-64	148.4	3	112.4	R40 L41 K42 A48	R40-R44 WeakPolarHBondContact O-CB 3.32Å; R40-R44 PolarHBondContact O-N 3.03Å; L41-R44 PolarHBondContact O-N 3Å; K42-R44 PolarHBondContact O-N 3.4Å; R44-A48 WeakPolarHBondContact O-CB 3.45Å; R44-A48 PolarHBondContact O-N 3.26Å
45	R	91.8	Very high	89.4	Confident	177 Å²	177	116.2 Å²	116.2	67%	0.668	55%	0.551	S	S	*	*	H	α-helix	trans	-66.2	-43.2	176.8	-73.1	-71.6	-172.8	175.3	1.2	111.1	L41 K42 E43 A48 L49	L41-R45 WeakPolarHBondContact O-CG 3.4Å; L41-R45 PolarHBondContact O-N 3.06Å; K42-R45 PolarHBondContact O-N 3.05Å; E43-R45 VanDerWaalsContact C-N 3.34Å; E43-R45 PolarHBondContact O-N 2.93Å; R45-A48 PolarHBondContact O-N 3.07Å; R45-L49 WeakPolarHBondContact O-CB 3.42Å; R45-L49 VanDerWaalsContact O-CG 3.3Å; R45-L49 WeakPolarHBondContact O-CG 3.39Å; R45-L49 PolarHBondContact O-N 3.06Å
46	L	91.4	Very high	90.1	Very high	90 Å²	90	114.9 Å²	114.9	47%	0.471	54%	0.539	S	S	.	.	H	α-helix	trans	-62.7	-43.1	177.8	-178.7	62.9	0	0	0	111.3	K42 E43 L49 K50	K42-L46 WeakPolarHBondContact O-CB 3.3Å; K42-L46 PolarHBondContact O-N 2.92Å; E43-L46 PolarHBondContact O-N 3.02Å; L46-L49 PolarHBondContact O-N 3.36Å; L46-K50 HydrophobicContact CG-CD 4.29Å; L46-K50 WeakPolarHBondContact O-CB 3.47Å; L46-K50 VanDerWaalsContact O-CG 3.31Å; L46-K50 WeakPolarHBondContact O-CG 3.47Å; L46-K50 PolarHBondContact O-N 2.86Å
47	E	94.1	Very high	90.7	Very high	141 Å²	141	116.4 Å²	116.4	66%	0.659	54%	0.543	S	S	*	.	H	α-helix	trans	-63.2	-45.4	176.3	-171.6	-178.6	-168.4	0	0	111.6	E43 L49 K50 K51	E43-E47 WeakPolarHBondContact O-CB 3.48Å; E43-E47 PolarHBondContact O-N 2.94Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 3.22Å; E47-K50 PolarHBondContact O-N 3.46Å; E47-K51 WeakPolarHBondContact O-CB 3.37Å; E47-K51 PolarHBondContact O-N 3.47Å
48	A	92.3	Very high	91.2	Very high	57 Å²	57	117.4 Å²	117.4	47%	0.471	55%	0.545	S	S	.	.	H	α-helix	trans	-60.1	-43.3	176.6	0	0	0	0	0	112	R44 R45 K51 A52	R44-A48 WeakPolarHBondContact O-CB 3.45Å; R44-A48 PolarHBondContact O-N 3.26Å; R45-A48 PolarHBondContact O-N 3.07Å; A48-K51 PolarHBondContact O-N 3.48Å; A48-A52 WeakPolarHBondContact O-CB 3.36Å; A48-A52 PolarHBondContact O-N 2.95Å
49	L	91	Very high	92	Very high	120 Å²	120	116.4 Å²	116.4	63%	0.628	54%	0.536	S	S	*	.	H	α-helix	trans	-63.2	-45.6	175.8	-73.2	171.6	0	0	0	111.7	R45 L46 E47 K51 A52 Q53	R45-L49 WeakPolarHBondContact O-CB 3.42Å; R45-L49 VanDerWaalsContact O-CG 3.3Å; R45-L49 WeakPolarHBondContact O-CG 3.39Å; R45-L49 PolarHBondContact O-N 3.06Å; L46-L49 PolarHBondContact O-N 3.36Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 3.22Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.87Å; L49-A52 PolarHBondContact O-N 3.4Å; L49-Q53 WeakPolarHBondContact O-CB 3.35Å; L49-Q53 PolarHBondContact O-N 3.27Å
50	K	93.6	Very high	92.5	Very high	129 Å²	129	115 Å²	115	56%	0.561	53%	0.532	S	S	*	.	H	α-helix	trans	-59.8	-44.2	176.3	-76.7	175	178.6	175.8	0	111.5	L46 E47 Q53 K54	L46-K50 HydrophobicContact CG-CD 4.29Å; L46-K50 WeakPolarHBondContact O-CB 3.47Å; L46-K50 VanDerWaalsContact O-CG 3.31Å; L46-K50 WeakPolarHBondContact O-CG 3.47Å; L46-K50 PolarHBondContact O-N 2.86Å; E47-K50 PolarHBondContact O-N 3.46Å; K50-Q53 PolarHBondContact O-N 3.25Å; K50-K54 WeakPolarHBondContact O-CB 2.96Å; K50-K54 PolarHBondContact O-N 2.9Å
51	K	94.3	Very high	92.8	Very high	151 Å²	151	112.6 Å²	112.6	66%	0.657	54%	0.538	S	S	*	.	H	α-helix	trans	-64.1	-46.2	178.3	-174.2	176.7	178.3	179.3	0	111.6	E47 A48 L49 Q53 K54 Q55	E47-K51 WeakPolarHBondContact O-CB 3.37Å; E47-K51 PolarHBondContact O-N 3.47Å; A48-K51 PolarHBondContact O-N 3.48Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.87Å; K51-Q53 VanDerWaalsContact C-N 3.34Å; K51-Q53 PolarHBondContact O-N 2.92Å; K51-K54 PolarHBondContact O-N 3.37Å; K51-Q55 WeakPolarHBondContact O-CB 3.31Å; K51-Q55 PolarHBondContact O-N 3.21Å
52	A	90.6	Very high	93.2	Very high	52 Å²	52	112.4 Å²	112.4	43%	0.43	53%	0.534	S	S	.	.	H	α-helix	trans	-62.3	-41.4	177.4	0	0	0	0	0	111.8	A48 L49 Q55 K56	A48-A52 WeakPolarHBondContact O-CB 3.36Å; A48-A52 PolarHBondContact O-N 2.95Å; L49-A52 PolarHBondContact O-N 3.4Å; A52-Q55 PolarHBondContact O-N 3.3Å; A52-K56 WeakPolarHBondContact O-CB 3.38Å; A52-K56 PolarHBondContact O-N 3.47Å
53	Q	92.7	Very high	93.5	Very high	137 Å²	137	106.9 Å²	106.9	64%	0.64	51%	0.514	S	S	*	.	H	α-helix	trans	-63.7	-45	176.1	-176.9	178.3	-23.9	0	0	111.9	L49 K50 K51 Q55 K56 Q57	L49-Q53 WeakPolarHBondContact O-CB 3.35Å; L49-Q53 PolarHBondContact O-N 3.27Å; K50-Q53 PolarHBondContact O-N 3.25Å; K51-Q53 VanDerWaalsContact C-N 3.34Å; K51-Q53 PolarHBondContact O-N 2.92Å; Q53-Q55 PolarHBondContact O-N 3.43Å; Q53-K56 PolarHBondContact O-N 3.27Å; Q53-Q57 PolarHBondContact O-N 3.24Å
54	K	95	Very high	93.8	Very high	155 Å²	155	101.1 Å²	101.1	67%	0.674	49%	0.488	S	S	*	.	H	α-helix	trans	-60.8	-45.3	176.6	-175.2	-178.4	178.8	-177.1	0	111.4	K50 K51 Q57 E58	K50-K54 WeakPolarHBondContact O-CB 2.96Å; K50-K54 PolarHBondContact O-N 2.9Å; K51-K54 PolarHBondContact O-N 3.37Å; K54-Q57 PolarHBondContact O-N 3.24Å; K54-E58 PolarHBondContact O-N 3.45Å
55	Q	94.3	Very high	94.1	Very high	87 Å²	87	93.7 Å²	93.7	41%	0.407	46%	0.463	S	S	.	.	H	α-helix	trans	-63	-44.2	178.5	-173.6	173.4	23.6	0	0	111.6	K51 A52 Q53 Q57 E58 W59	K51-Q55 WeakPolarHBondContact O-CB 3.31Å; K51-Q55 PolarHBondContact O-N 3.21Å; A52-Q55 PolarHBondContact O-N 3.3Å; Q53-Q55 PolarHBondContact O-N 3.43Å; Q55-Q57 VanDerWaalsContact C-N 3.3Å; Q55-Q57 PolarHBondContact O-N 3.41Å; Q55-E58 WeakPolarHBondContact O-CB 3.45Å; Q55-E58 PolarHBondContact O-N 2.93Å; Q55-W59 HydrophobicContact CG-CD2 4.08Å; Q55-W59 HydrophobicContact CG-CE3 4.3Å; Q55-W59 HydrophobicContact CG-CH2 3.7Å; Q55-W59 HydrophobicContact CG-CZ2 3.48Å; Q55-W59 VanDerWaalsContact CG-CZ2 3.48Å; Q55-W59 HydrophobicContact CG-CZ3 4.11Å; Q55-W59 PolarHBondContact O-N 3.4Å
56	K	93.8	Very high	94.3	Very high	111 Å²	111	91.4 Å²	91.4	48%	0.483	46%	0.46	S	S	.	.	H	α-helix	trans	-59.1	-41.8	174.3	-174.8	175.3	-179.5	175.8	0	111.9	A52 Q53 E58 W59 L60 V113	A52-K56 WeakPolarHBondContact O-CB 3.38Å; A52-K56 PolarHBondContact O-N 3.47Å; Q53-K56 PolarHBondContact O-N 3.27Å; K56-E58 VanDerWaalsContact C-N 3.34Å; K56-W59 HydrophobicContact CB-CE3 4.43Å; K56-W59 PolarHBondContact O-N 2.92Å; K56-L60 HydrophobicContact CG-CD1 4.38Å; K56-L60 VanDerWaalsContact O-CG 3.31Å; K56-L60 WeakPolarHBondContact O-CG 3.46Å; K56-L60 PolarHBondContact O-N 2.87Å; K56-V113 HydrophobicContact CG-CG1 4.27Å
57	Q	95.2	Very high	94.6	Very high	136 Å²	136	89.2 Å²	89.2	64%	0.636	45%	0.446	S	S	*	.	H	α-helix	trans	-65.9	-37.1	177.6	-171.5	163.2	49.8	0	0	112.4	Q53 K54 Q55 L60 S61	Q53-Q57 PolarHBondContact O-N 3.24Å; K54-Q57 PolarHBondContact O-N 3.24Å; Q55-Q57 VanDerWaalsContact C-N 3.3Å; Q55-Q57 PolarHBondContact O-N 3.41Å; Q57-L60 PolarHBondContact O-N 2.93Å; Q57-S61 PolarHBondContact O-N 2.86Å
58	E	95.8	Very high	94.8	Very high	91 Å²	91	85.8 Å²	85.8	43%	0.425	43%	0.427	S	S	.	.	H	α-helix	trans	-65.4	-40.5	173.5	-170.8	-171.6	154.1	0	0	112.2	K54 Q55 K56 S61 K62	K54-E58 PolarHBondContact O-N 3.45Å; Q55-E58 WeakPolarHBondContact O-CB 3.45Å; Q55-E58 PolarHBondContact O-N 2.93Å; K56-E58 VanDerWaalsContact C-N 3.34Å; E58-S61 PolarHBondContact O-N 2.99Å; E58-S61 PolarHBondContact O-OG 3.35Å; E58-K62 HydrophobicContact CG-CD 4.38Å; E58-K62 WeakPolarHBondContact O-CG 3.43Å; E58-K62 PolarHBondContact O-N 3.43Å; E58-K62 VanDerWaalsContact O-N 3.09Å; E58-K62 WeakPolarHBondContact OE1-CE 3.32Å; E58-K62 IonicContact OE1-NZ 3.48Å; E58-K62 PolarHBondContact OE1-NZ 3.48Å
59	W	96.6	Very high	95	Very high	51 Å²	51	86.7 Å²	86.7	19%	0.193	42%	0.422	C	S	.	.	H	α-helix	trans	-62.2	-45.9	174.1	-68.8	-35.7	0	0	0	111.5	Q55 K56 S61 K62 G63 H64 V113 E114	Q55-W59 HydrophobicContact CG-CD2 4.08Å; Q55-W59 HydrophobicContact CG-CE3 4.3Å; Q55-W59 HydrophobicContact CG-CH2 3.7Å; Q55-W59 HydrophobicContact CG-CZ2 3.48Å; Q55-W59 VanDerWaalsContact CG-CZ2 3.48Å; Q55-W59 HydrophobicContact CG-CZ3 4.11Å; Q55-W59 PolarHBondContact O-N 3.4Å; K56-W59 HydrophobicContact CB-CE3 4.43Å; K56-W59 PolarHBondContact O-N 2.92Å; W59-S61 VanDerWaalsContact C-N 3.33Å; W59-S61 PolarHBondContact O-N 2.9Å; W59-K62 CarbonylContact O-C 3.56Å; W59-K62 PolarHBondContact O-N 3.11Å; W59-K62 VanDerWaalsContact O-N 3.17Å; W59-G63 PolarHBondContact O-N 3.44Å; W59-H64 HydrophobicContact CB-CB 3.89Å; W59-H64 VanDerWaalsContact O-CB 3.27Å; W59-H64 WeakPolarHBondContact O-CB 3.22Å; W59-H64 PolarHBondContact O-CD2 3.15Å; W59-H64 PolarHBondContact O-N 2.86Å; W59-V113 HydrophobicContact CB-CG1 3.91Å; W59-V113 WeakPolarHBondContact CB-O 3.35Å; W59-V113 HydrophobicContact CE3-CG1 4.41Å; W59-E114 HydrophobicContact CD2-CB 4.48Å; W59-E114 HydrophobicContact CE3-CB 4.15Å; W59-E114 HydrophobicContact CH2-CB 3.47Å; W59-E114 VanDerWaalsContact CH2-CB 3.47Å; W59-E114 HydrophobicContact CZ2-CB 3.79Å; W59-E114 HydrophobicContact CZ3-CB 3.67Å
60	L	95.2	Very high	95.3	Very high	88 Å²	88	81.3 Å²	81.3	46%	0.461	39%	0.393	S	S	.	.	H	α-helix	trans	-61.9	-39.4	176.6	-67.9	172.9	0	0	0	112.1	K56 Q57 K62 G63 V113	K56-L60 HydrophobicContact CG-CD1 4.38Å; K56-L60 VanDerWaalsContact O-CG 3.31Å; K56-L60 WeakPolarHBondContact O-CG 3.46Å; K56-L60 PolarHBondContact O-N 2.87Å; Q57-L60 PolarHBondContact O-N 2.93Å; L60-K62 VanDerWaalsContact C-N 3.26Å; L60-K62 PolarHBondContact O-N 3.02Å; L60-G63 WeakPolarHBondContact O-CA 3.49Å; L60-G63 PolarHBondContact O-N 2.83Å; L60-V113 HydrophobicContact CD2-CG1 3.72Å; L60-V113 HydrophobicContact CG-CG1 3.97Å
61	S	95.4	Very high	95.3	Very high	96 Å²	96	79.1 Å²	79.1	67%	0.671	39%	0.394	S	S	*	.	H	α-helix	trans	-67.6	-27.7	177.2	71.9	0	0	0	0	113	Q57 E58 W59 G63	Q57-S61 PolarHBondContact O-N 2.86Å; E58-S61 PolarHBondContact O-N 2.99Å; E58-S61 PolarHBondContact O-OG 3.35Å; W59-S61 VanDerWaalsContact C-N 3.33Å; W59-S61 PolarHBondContact O-N 2.9Å; S61-G63 PolarHBondContact O-N 3.37Å
62	K	94.6	Very high	95.3	Very high	67 Å²	67	73.8 Å²	73.8	29%	0.291	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	0.7	170.1	-68.6	171	174.8	178	0	112.6	E58 W59 L60 R68 E82 K116	E58-K62 HydrophobicContact CG-CD 4.38Å; E58-K62 WeakPolarHBondContact O-CG 3.43Å; E58-K62 PolarHBondContact O-N 3.43Å; E58-K62 VanDerWaalsContact O-N 3.09Å; E58-K62 WeakPolarHBondContact OE1-CE 3.32Å; E58-K62 IonicContact OE1-NZ 3.48Å; E58-K62 PolarHBondContact OE1-NZ 3.48Å; W59-K62 CarbonylContact O-C 3.56Å; W59-K62 PolarHBondContact O-N 3.11Å; W59-K62 VanDerWaalsContact O-N 3.17Å; L60-K62 VanDerWaalsContact C-N 3.26Å; L60-K62 PolarHBondContact O-N 3.02Å; K62-R68 PolarHBondContact O-NH2 3.21Å; K62-E82 PolarHBondContact NZ-O 3.46Å; K62-K116 WeakPolarHBondContact O-CE 3.34Å; K62-K116 PolarHBondContact O-NZ 3.33Å
63	G	94.4	Very high	95.4	Very high	16 Å²	16	73.3 Å²	73.3	17%	0.165	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	30.3	-179.8	0	0	0	0	0	113.9	W59 L60 S61 R68	W59-G63 PolarHBondContact O-N 3.44Å; L60-G63 WeakPolarHBondContact O-CA 3.49Å; L60-G63 PolarHBondContact O-N 2.83Å; S61-G63 PolarHBondContact O-N 3.37Å; G63-R68 PolarHBondContact O-NH1 2.94Å
64	H	97.4	Very high	95.5	Very high	4 Å²	4	75 Å²	75	2%	0.019	37%	0.37	C	S	.	.			trans	-72.4	168.3	160.3	-64.3	-127.2	0	0	0	109.5	W59 E66 S83 V113 K116	W59-H64 HydrophobicContact CB-CB 3.89Å; W59-H64 VanDerWaalsContact O-CB 3.27Å; W59-H64 WeakPolarHBondContact O-CB 3.22Å; W59-H64 PolarHBondContact O-CD2 3.15Å; W59-H64 PolarHBondContact O-N 2.86Å; H64-E66 VanDerWaalsContact C-N 3.28Å; H64-S83 WeakPolarHBondContact NE2-CB 3.19Å; H64-S83 PolarHBondContact NE2-OG 2.83Å; H64-V113 HydrophobicContact CB-CG1 4.14Å; H64-V113 WeakPolarHBondContact CB-O 3.4Å; H64-V113 PolarHBondContact ND1-O 3.09Å; H64-K116 PolarHBondContact ND1-N 3.32Å
65	G	96.4	Very high	95.6	Very high	12 Å²	12	70.9 Å²	70.9	12%	0.124	36%	0.355	C	S	.	.	S	Bend	trans	90	-9	-176.4	0	0	0	0	0	114.2	A109	G65-A109 CarbonylContact C-O 3.43Å; G65-A109 WeakPolarHBondContact CA-O 3.24Å; G65-A109 CarbonylContact O-C 3.58Å
66	E	96.9	Very high	95.7	Very high	128 Å²	128	67 Å²	67	60%	0.598	34%	0.337	S	S	*	.	S	Bend	trans	-129	153.3	-176.7	-60.9	-177.6	-178.6	0	0	110.9	H64	H64-E66 VanDerWaalsContact C-N 3.28Å
67	Y	98.3	Very high	95.8	Very high	44 Å²	44	66.7 Å²	66.7	17%	0.173	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	109.7	172.5	176.7	-121.7	0	0	0	109.2	H89 D102 L105 A106 F117 K119	Y67-H89 HydrophobicContact CE2-CB 4.46Å; Y67-H89 PolarHBondContact OH-ND1 3.36Å; Y67-D102 HydrophobicContact CE1-CB 3.96Å; Y67-D102 VanDerWaalsContact CE1-OD1 3.22Å; Y67-D102 WeakPolarHBondContact CE1-OD1 3.31Å; Y67-D102 VanDerWaalsContact CZ-OD1 3.31Å; Y67-D102 PolarHBondContact OH-OD1 3.33Å; Y67-L105 HydrophobicContact CD1-CB 4.45Å; Y67-L105 HydrophobicContact CD2-CB 3.96Å; Y67-L105 HydrophobicContact CE1-CB 4.42Å; Y67-L105 HydrophobicContact CE2-CB 3.91Å; Y67-L105 HydrophobicContact CE2-CD1 3.73Å; Y67-L105 HydrophobicContact CE2-CG 4.48Å; Y67-L105 HydrophobicContact CG-CB 4.21Å; Y67-A106 HydrophobicContact CD1-CB 4.31Å; Y67-F117 HydrophobicContact CD2-CB 4Å; Y67-K119 HydrophobicContact CE1-CD 3.96Å; Y67-K119 HydrophobicContact CE2-CB 3.86Å; Y67-K119 HydrophobicContact CE2-CD 4.5Å; Y67-K119 HydrophobicContact CE2-CG 4.37Å; Y67-K119 VanDerWaalsContact OH-CB 3.32Å; Y67-K119 WeakPolarHBondContact OH-CB 3.39Å; Y67-K119 WeakPolarHBondContact OH-CD 3.41Å
68	R	97.1	Very high	95.8	Very high	69 Å²	69	61.7 Å²	61.7	26%	0.26	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	152.2	-174.1	67.9	168.1	176.1	-105.5	13.7	113.7	K62 G63 E79 F117 I118 K119	K62-R68 PolarHBondContact O-NH2 3.21Å; G63-R68 PolarHBondContact O-NH1 2.94Å; R68-E79 IonicContact CZ-OE1 2.73Å; R68-E79 IonicContact NE-OE1 2.9Å; R68-E79 PolarHBondContact NE-OE1 3.45Å; R68-E79 IonicContact NH2-OE1 3.63Å; R68-E79 PolarHBondContact NH2-OE1 2.75Å; R68-E79 IonicContact NH2-OE2 2.73Å; R68-E79 PolarHBondContact NH2-OE2 3.26Å; R68-F117 PolarHBondContact N-O 2.84Å; R68-I118 HydrophobicContact CG-CG2 4.19Å; R68-I118 CarbonylContact O-C 3.59Å; R68-I118 VanDerWaalsContact O-CA 3.31Å; R68-I118 WeakPolarHBondContact O-CA 3.46Å; R68-K119 PolarHBondContact O-N 3.18Å
69	E	97.4	Very high	95.8	Very high	77 Å²	77	58.4 Å²	58.4	36%	0.36	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	135.2	168.5	-172.2	174.4	154.8	0	0	110.2	Y91 K119 K124	E69-Y91 HydrophobicContact CG-CE1 4.47Å; E69-Y91 PolarHBondContact OE1-OH 3.27Å; E69-Y91 PolarHBondContact OE2-OH 3.16Å; E69-K119 WeakPolarHBondContact CA-O 3.35Å; E69-K119 HydrophobicContact CB-CD 4.44Å; E69-K119 HydrophobicContact CB-CG 3.88Å; E69-K119 HydrophobicContact CG-CG 4.16Å; E69-K124 IonicContact OE1-NZ 3.26Å; E69-K124 PolarHBondContact OE1-NZ 3.37Å
70	I	96.9	Very high	95.7	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.036	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	143.6	166.7	52.3	156.8	0	0	0	109.8	D75 F76 E79 I118 K119 L120	I70-D75 HydrophobicContact CB-CB 4.21Å; I70-D75 HydrophobicContact CG2-CB 4.47Å; I70-F76 HydrophobicContact CD1-CB 3.56Å; I70-F76 HydrophobicContact CD1-CD2 4.17Å; I70-F76 HydrophobicContact CD1-CG 4.39Å; I70-E79 HydrophobicContact CG2-CG 4.06Å; I70-I118 HydrophobicContact CD1-CD1 3.94Å; I70-I118 HydrophobicContact CG1-CD1 4.48Å; I70-I118 HydrophobicContact CG2-CB 4.41Å; I70-I118 HydrophobicContact CG2-CG2 4.28Å; I70-K119 VanDerWaalsContact CG1-O 3.28Å; I70-K119 WeakPolarHBondContact CG1-O 3.43Å; I70-K119 PolarHBondContact N-O 3.38Å; I70-L120 HydrophobicContact CD1-CB 4.09Å; I70-L120 HydrophobicContact CD1-CD1 4.02Å; I70-L120 HydrophobicContact CD1-CD2 4.12Å; I70-L120 HydrophobicContact CD1-CG 4.31Å; I70-L120 HydrophobicContact CG1-CB 3.98Å; I70-L120 HydrophobicContact CG1-CD1 3.92Å; I70-L120 HydrophobicContact CG1-CG 4.42Å; I70-L120 WeakPolarHBondContact O-CD1 3.47Å
71	S	92.6	Very high	95.8	Very high	82 Å²	82	61.4 Å²	61.4	57%	0.573	32%	0.317	S	S	*	.			trans	-89.2	-23.5	-168.4	-65.7	0	0	0	0	113.6
72	S	94.4	Very high	95.7	Very high	40 Å²	40	62.1 Å²	62.1	28%	0.28	31%	0.31	S	S	.	.	S	Bend	trans	-144.5	162.6	-173.4	75.1	0	0	0	0	113.6	K74 D75 F76	S72-K74 VanDerWaalsContact C-N 3.26Å; S72-K74 PolarHBondContact O-N 3.43Å; S72-K74 PolarHBondContact OG-N 2.9Å; S72-D75 PolarHBondContact N-OD2 2.68Å; S72-D75 PolarHBondContact O-N 3.04Å; S72-D75 PolarHBondContact OG-N 3.48Å; S72-D75 PolarHBondContact OG-OD1 3.32Å; S72-D75 PolarHBondContact OG-OD2 2.96Å; S72-F76 PolarHBondContact O-N 2.9Å
73	E	94.2	Very high	95.8	Very high	42 Å²	42	59.3 Å²	59.3	20%	0.196	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-32.3	173.2	-61.9	175	138	0	0	112.4	D75 F76 F77 A125 F127 L128	E73-D75 VanDerWaalsContact C-N 3.3Å; E73-D75 PolarHBondContact O-N 3.47Å; E73-F76 WeakPolarHBondContact O-CB 3.23Å; E73-F76 PolarHBondContact O-N 3.43Å; E73-F77 WeakPolarHBondContact O-CD2 3.41Å; E73-F77 PolarHBondContact O-N 2.73Å; E73-A125 HydrophobicContact CG-CB 3.54Å; E73-A125 WeakPolarHBondContact OE1-CA 3.27Å; E73-F127 VanDerWaalsContact OE1-CA 3.3Å; E73-F127 WeakPolarHBondContact OE1-CA 3.37Å; E73-F127 VanDerWaalsContact OE1-CB 3.28Å; E73-F127 WeakPolarHBondContact OE1-CB 3.47Å; E73-F127 PolarHBondContact OE1-N 3.44Å; E73-L128 HydrophobicContact CG-CB 4.13Å; E73-L128 PolarHBondContact OE1-N 2.92Å
74	K	94.9	Very high	95.9	Very high	173 Å²	173	64.2 Å²	64.2	75%	0.752	32%	0.316	S	S	*	.	H	α-helix	trans	-62.7	-42.1	176.2	-176.3	-179.4	172	-175.4	0	110.7	S72 F76 F77 G78	S72-K74 VanDerWaalsContact C-N 3.26Å; S72-K74 PolarHBondContact O-N 3.43Å; S72-K74 PolarHBondContact OG-N 2.9Å; K74-F76 VanDerWaalsContact C-N 3.32Å; K74-F76 PolarHBondContact O-N 2.93Å; K74-F77 PolarHBondContact O-N 3.15Å; K74-G78 PolarHBondContact O-N 3.12Å
75	D	95.9	Very high	95.9	Very high	67 Å²	67	64.7 Å²	64.7	36%	0.358	32%	0.318	S	S	.	.	H	α-helix	trans	-63.3	-41.9	178.1	-55.9	-34.9	0	0	0	110.1	I70 S72 E73 F77 G78 E79	I70-D75 HydrophobicContact CB-CB 4.21Å; I70-D75 HydrophobicContact CG2-CB 4.47Å; S72-D75 PolarHBondContact N-OD2 2.68Å; S72-D75 PolarHBondContact O-N 3.04Å; S72-D75 PolarHBondContact OG-N 3.48Å; S72-D75 PolarHBondContact OG-OD1 3.32Å; S72-D75 PolarHBondContact OG-OD2 2.96Å; E73-D75 VanDerWaalsContact C-N 3.3Å; E73-D75 PolarHBondContact O-N 3.47Å; D75-F77 VanDerWaalsContact C-N 3.32Å; D75-F77 PolarHBondContact O-N 2.75Å; D75-G78 WeakPolarHBondContact O-CA 3.37Å; D75-G78 PolarHBondContact O-N 3.19Å; D75-E79 WeakPolarHBondContact O-CG 3.5Å; D75-E79 PolarHBondContact O-N 2.78Å
76	F	96.3	Very high	96	Very high	5 Å²	5	64.1 Å²	64.1	2%	0.022	31%	0.313	C	S	.	.	H	α-helix	trans	-51.3	-49	175	175.1	-94.3	0	0	0	112.4	I70 S72 E73 K74 G78 E79 V80 C88 I118 L120 L128 L132 L143	I70-F76 HydrophobicContact CD1-CB 3.56Å; I70-F76 HydrophobicContact CD1-CD2 4.17Å; I70-F76 HydrophobicContact CD1-CG 4.39Å; S72-F76 PolarHBondContact O-N 2.9Å; E73-F76 WeakPolarHBondContact O-CB 3.23Å; E73-F76 PolarHBondContact O-N 3.43Å; K74-F76 VanDerWaalsContact C-N 3.32Å; K74-F76 PolarHBondContact O-N 2.93Å; F76-G78 VanDerWaalsContact C-N 3.3Å; F76-G78 PolarHBondContact O-N 3.17Å; F76-E79 PolarHBondContact O-N 2.93Å; F76-V80 HydrophobicContact CD1-CG2 4.25Å; F76-V80 HydrophobicContact CD2-CG2 4.24Å; F76-V80 HydrophobicContact CE1-CG2 3.89Å; F76-V80 HydrophobicContact CE2-CG2 3.89Å; F76-V80 HydrophobicContact CG-CG2 4.42Å; F76-V80 HydrophobicContact CZ-CG2 3.71Å; F76-V80 WeakPolarHBondContact O-CB 3.08Å; F76-V80 WeakPolarHBondContact O-CG2 3.19Å; F76-V80 PolarHBondContact O-N 2.91Å; F76-C88 HydrophobicContact CD2-CB 4.3Å; F76-C88 HydrophobicContact CE2-CB 3.68Å; F76-I118 HydrophobicContact CD2-CD1 3.98Å; F76-I118 HydrophobicContact CE2-CD1 4.45Å; F76-L120 HydrophobicContact CB-CD2 4.44Å; F76-L128 HydrophobicContact CB-CD2 3.99Å; F76-L128 HydrophobicContact CD1-CD1 3.87Å; F76-L128 HydrophobicContact CD1-CD2 3.4Å; F76-L128 VanDerWaalsContact CD1-CD2 3.4Å; F76-L128 HydrophobicContact CD1-CG 4.31Å; F76-L128 HydrophobicContact CD2-CD2 3.83Å; F76-L128 HydrophobicContact CE1-CD1 3.76Å; F76-L128 HydrophobicContact CE1-CD2 3.73Å; F76-L128 HydrophobicContact CE1-CG 4.36Å; F76-L128 HydrophobicContact CE2-CD2 4.12Å; F76-L128 HydrophobicContact CG-CD2 3.45Å; F76-L128 VanDerWaalsContact CG-CD2 3.45Å; F76-L128 HydrophobicContact CZ-CD2 4.07Å; F76-L132 HydrophobicContact CZ-CD1 4.3Å; F76-L143 HydrophobicContact CE1-CD2 4.49Å; F76-L143 HydrophobicContact CE2-CD1 4.34Å; F76-L143 HydrophobicContact CZ-CD1 4.12Å; F76-L143 HydrophobicContact CZ-CD2 3.85Å
77	F	95.4	Very high	96.1	Very high	105 Å²	105	58.1 Å²	58.1	46%	0.461	28%	0.284	S	S	.	.	H	α-helix	trans	-65.9	-32.9	178.4	-66	-67.1	0	0	0	112.9	E73 K74 D75 K81 F127 L128	E73-F77 WeakPolarHBondContact O-CD2 3.41Å; E73-F77 PolarHBondContact O-N 2.73Å; K74-F77 PolarHBondContact O-N 3.15Å; D75-F77 VanDerWaalsContact C-N 3.32Å; D75-F77 PolarHBondContact O-N 2.75Å; F77-K81 VanDerWaalsContact O-CB 3.26Å; F77-K81 WeakPolarHBondContact O-CB 3.24Å; F77-K81 PolarHBondContact O-N 3.48Å; F77-F127 HydrophobicContact CE2-CE1 4.4Å; F77-F127 HydrophobicContact CZ-CE1 4.14Å; F77-L128 HydrophobicContact CE1-CD1 4.33Å; F77-L128 HydrophobicContact CZ-CD1 3.85Å
78	G	95.8	Very high	96.1	Very high	31 Å²	31	56 Å²	56	32%	0.32	28%	0.276	S	S	.	.	H	α-helix	trans	-61.5	-52.8	171.8	0	0	0	0	0	111.5	K74 D75 F76 V80 K81 E82	K74-G78 PolarHBondContact O-N 3.12Å; D75-G78 WeakPolarHBondContact O-CA 3.37Å; D75-G78 PolarHBondContact O-N 3.19Å; F76-G78 VanDerWaalsContact C-N 3.3Å; F76-G78 PolarHBondContact O-N 3.17Å; G78-V80 VanDerWaalsContact C-N 3.31Å; G78-V80 PolarHBondContact O-N 3.32Å; G78-K81 PolarHBondContact O-N 3.2Å; G78-K81 VanDerWaalsContact O-N 3.12Å; G78-E82 WeakPolarHBondContact O-CG 3.45Å; G78-E82 PolarHBondContact O-N 2.98Å
79	E	95.8	Very high	96.1	Very high	23 Å²	23	52.7 Å²	52.7	11%	0.107	26%	0.264	C	S	.	.	H	α-helix	trans	-58.7	-43.6	-178.8	-61.5	-62.8	-172.2	0	0	112.4	R68 I70 D75 F76 K81 E82 S83 K116 I118	R68-E79 IonicContact CZ-OE1 2.73Å; R68-E79 IonicContact NE-OE1 2.9Å; R68-E79 PolarHBondContact NE-OE1 3.45Å; R68-E79 IonicContact NH2-OE1 3.63Å; R68-E79 PolarHBondContact NH2-OE1 2.75Å; R68-E79 IonicContact NH2-OE2 2.73Å; R68-E79 PolarHBondContact NH2-OE2 3.26Å; I70-E79 HydrophobicContact CG2-CG 4.06Å; D75-E79 WeakPolarHBondContact O-CG 3.5Å; D75-E79 PolarHBondContact O-N 2.78Å; F76-E79 PolarHBondContact O-N 2.93Å; E79-K81 VanDerWaalsContact C-N 3.34Å; E79-E82 PolarHBondContact O-N 2.68Å; E79-S83 WeakPolarHBondContact O-CB 3.42Å; E79-S83 PolarHBondContact O-N 2.9Å; E79-S83 PolarHBondContact O-OG 3.12Å; E79-K116 HydrophobicContact CB-CD 4.44Å; E79-K116 WeakPolarHBondContact OE2-CE 2.98Å; E79-K116 IonicContact OE2-NZ 3.17Å; E79-K116 PolarHBondContact OE2-NZ 3.14Å; E79-I118 HydrophobicContact CB-CD1 4.16Å; E79-I118 HydrophobicContact CG-CD1 4.36Å
80	V	95.6	Very high	96.2	Very high	13 Å²	13	49 Å²	49	8%	0.079	25%	0.247	C	C	.	.	H	α-helix	trans	-69.9	-29.6	179.7	172.4	0	0	0	0	112.4	F76 G78 S83 V86 L143	F76-V80 HydrophobicContact CD1-CG2 4.25Å; F76-V80 HydrophobicContact CD2-CG2 4.24Å; F76-V80 HydrophobicContact CE1-CG2 3.89Å; F76-V80 HydrophobicContact CE2-CG2 3.89Å; F76-V80 HydrophobicContact CG-CG2 4.42Å; F76-V80 HydrophobicContact CZ-CG2 3.71Å; F76-V80 WeakPolarHBondContact O-CB 3.08Å; F76-V80 WeakPolarHBondContact O-CG2 3.19Å; F76-V80 PolarHBondContact O-N 2.91Å; G78-V80 VanDerWaalsContact C-N 3.31Å; G78-V80 PolarHBondContact O-N 3.32Å; V80-S83 VanDerWaalsContact O-O 3.08Å; V80-V86 HydrophobicContact CG2-CB 4.33Å; V80-V86 HydrophobicContact CG2-CG1 4.17Å; V80-V86 HydrophobicContact CG2-CG2 4.27Å; V80-L143 HydrophobicContact CG1-CD2 3.97Å; V80-L143 HydrophobicContact CG2-CD2 4.06Å
81	K	95.6	Very high	96.2	Very high	188 Å²	188	49.1 Å²	49.1	82%	0.817	25%	0.247	S	C	*	.	H	α-helix	trans	-76.4	-35.6	175.9	-175.7	-179.9	178.2	-176.1	0	112.3	F77 G78 E79 S83	F77-K81 VanDerWaalsContact O-CB 3.26Å; F77-K81 WeakPolarHBondContact O-CB 3.24Å; F77-K81 PolarHBondContact O-N 3.48Å; G78-K81 PolarHBondContact O-N 3.2Å; G78-K81 VanDerWaalsContact O-N 3.12Å; E79-K81 VanDerWaalsContact C-N 3.34Å; K81-S83 VanDerWaalsContact C-N 3.35Å
82	E	95.2	Very high	96.4	Very high	112 Å²	112	50.5 Å²	50.5	52%	0.523	24%	0.239	S	C	.	.	H	α-helix	trans	-82.8	-14.5	-175.7	-69.3	-173.7	103.8	0	0	113.9	K62 G78 E79	K62-E82 PolarHBondContact NZ-O 3.46Å; G78-E82 WeakPolarHBondContact O-CG 3.45Å; G78-E82 PolarHBondContact O-N 2.98Å; E79-E82 PolarHBondContact O-N 2.68Å
83	S	96.1	Very high	96.3	Very high	8 Å²	8	54 Å²	54	6%	0.056	26%	0.255	C	S	.	.			trans	-133.1	132.1	-169.1	-51.4	0	0	0	0	111	H64 E79 V80 K81 K116	H64-S83 WeakPolarHBondContact NE2-CB 3.19Å; H64-S83 PolarHBondContact NE2-OG 2.83Å; E79-S83 WeakPolarHBondContact O-CB 3.42Å; E79-S83 PolarHBondContact O-N 2.9Å; E79-S83 PolarHBondContact O-OG 3.12Å; V80-S83 VanDerWaalsContact O-O 3.08Å; K81-S83 VanDerWaalsContact C-N 3.35Å; S83-K116 WeakPolarHBondContact OG-CD 3.46Å
84	K	96	Very high	96.2	Very high	118 Å²	118	56.4 Å²	56.4	51%	0.513	28%	0.276	S	S	.	.	S	Bend	trans	-65.6	-49	-177.9	-166	-175.6	179.8	-171.5	0	112.1	L144 D145	K84-L144 HydrophobicContact CG-CD1 4.46Å; K84-L144 CarbonylContact O-C 3.53Å; K84-L144 WeakPolarHBondContact O-CA 2.92Å; K84-D145 VanDerWaalsContact CE-CG 3.42Å; K84-D145 WeakPolarHBondContact CE-OD1 3.45Å; K84-D145 WeakPolarHBondContact CE-OD2 3.38Å; K84-D145 VanDerWaalsContact CG-OD1 3.24Å; K84-D145 WeakPolarHBondContact CG-OD1 3.22Å; K84-D145 IonicContact NZ-OD2 3.4Å; K84-D145 PolarHBondContact O-N 3.38Å
85	N	97.8	Very high	96	Very high	14 Å²	14	50 Å²	50	8%	0.075	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.5	-175.6	-60.3	15	0	0	0	108.4	T115 K116 L144 V178	N85-T115 HydrophobicContact CB-CG2 4.04Å; N85-K116 PolarHBondContact O-N 3.32Å; N85-L144 WeakPolarHBondContact OD1-CD1 3.3Å; N85-V178 WeakPolarHBondContact CB-O 3.37Å; N85-V178 PolarHBondContact ND2-O 3.29Å
86	V	98.3	Very high	95.9	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	130.7	178.9	-176.9	0	0	0	0	110.1	V80 K116 I118 L143	V80-V86 HydrophobicContact CG2-CB 4.33Å; V80-V86 HydrophobicContact CG2-CG1 4.17Å; V80-V86 HydrophobicContact CG2-CG2 4.27Å; V86-K116 CarbonylContact C-O 3.58Å; V86-K116 WeakPolarHBondContact CA-O 3.34Å; V86-K116 HydrophobicContact CG2-CB 4.12Å; V86-I118 HydrophobicContact CG1-CD1 3.83Å; V86-I118 HydrophobicContact CG1-CG1 4Å; V86-L143 HydrophobicContact CB-CB 4.28Å; V86-L143 HydrophobicContact CB-CD1 4.46Å; V86-L143 PolarHBondContact N-O 2.88Å; V86-L143 PolarHBondContact O-N 3.33Å
87	V	98.5	Very high	95.9	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	115.5	168.8	177	0	0	0	0	107.5	L105 T115 K116 F117 I118 L140 L142 L173 V178	V87-L105 HydrophobicContact CG1-CD2 4.26Å; V87-T115 HydrophobicContact CG2-CG2 3.76Å; V87-K116 PolarHBondContact N-O 3.38Å; V87-F117 HydrophobicContact CB-CD1 3.79Å; V87-F117 HydrophobicContact CB-CE1 3.93Å; V87-F117 HydrophobicContact CG1-CD1 4.06Å; V87-F117 HydrophobicContact CG1-CE1 4.2Å; V87-F117 HydrophobicContact CG2-CD1 4.33Å; V87-F117 HydrophobicContact CG2-CE1 3.97Å; V87-I118 PolarHBondContact O-N 3.32Å; V87-L140 HydrophobicContact CG1-CB 4.45Å; V87-L140 HydrophobicContact CG1-CD1 4.43Å; V87-L140 HydrophobicContact CG1-CD2 4.47Å; V87-L142 HydrophobicContact CB-CD2 4.49Å; V87-L142 HydrophobicContact CG1-CD2 3.97Å; V87-L142 HydrophobicContact CG2-CD2 4.04Å; V87-L173 HydrophobicContact CG1-CD2 4.29Å; V87-L173 HydrophobicContact CG2-CD2 4.12Å; V87-V178 HydrophobicContact CG2-CG2 4Å
88	C	98.3	Very high	95.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118	179.3	-174	0	0	0	0	111.1	F76 F90 I118 L140 A141 L143	F76-C88 HydrophobicContact CD2-CB 4.3Å; F76-C88 HydrophobicContact CE2-CB 3.68Å; C88-F90 HydrophobicContact CB-CE2 4.19Å; C88-I118 WeakPolarHBondContact CA-O 3.23Å; C88-I118 HydrophobicContact CB-CD1 4.17Å; C88-I118 HydrophobicContact CB-CG1 3.9Å; C88-L140 CarbonylContact O-C 3.52Å; C88-L140 WeakPolarHBondContact O-CA 3.4Å; C88-A141 PolarHBondContact N-O 3.23Å; C88-A141 PolarHBondContact O-N 2.71Å; C88-L143 HydrophobicContact CB-CD1 4.47Å
89	H	98.4	Very high	96	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	107.3	174.8	174.7	-120.8	0	0	0	111	Y67 Y91 D102 L105 I118 K119 L120 P138 L140	Y67-H89 HydrophobicContact CE2-CB 4.46Å; Y67-H89 PolarHBondContact OH-ND1 3.36Å; H89-Y91 WeakPolarHBondContact CE1-CB 3.39Å; H89-Y91 PolarHBondContact O-N 3.31Å; H89-D102 IonicContact CE1-OD1 3.77Å; H89-D102 IonicContact ND1-OD1 3.26Å; H89-L105 HydrophobicContact CB-CD1 3.74Å; H89-I118 PolarHBondContact N-O 3.14Å; H89-K119 HydrophobicContact CB-CB 4.02Å; H89-K119 CarbonylContact O-C 3.53Å; H89-K119 VanDerWaalsContact O-CA 3.26Å; H89-K119 WeakPolarHBondContact O-CA 3.49Å; H89-K119 WeakPolarHBondContact O-CB 3.34Å; H89-L120 PolarHBondContact O-N 3.34Å; H89-P138 WeakPolarHBondContact NE2-CB 3.39Å; H89-L140 HydrophobicContact CB-CD2 3.56Å
90	F	98	Very high	96	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	115.6	170.4	-70.8	-88.1	0	0	0	109.2	C88 L120 V122 L128 T129 L132 I134 I137 T139 A141	C88-F90 HydrophobicContact CB-CE2 4.19Å; F90-L120 WeakPolarHBondContact CA-O 3.15Å; F90-L120 HydrophobicContact CE1-CD2 3.97Å; F90-V122 HydrophobicContact CB-CG1 3.93Å; F90-V122 HydrophobicContact CD1-CG1 4.22Å; F90-L128 HydrophobicContact CE1-CD2 3.76Å; F90-L128 HydrophobicContact CE1-CG 4.07Å; F90-L128 HydrophobicContact CZ-CD2 3.61Å; F90-L128 HydrophobicContact CZ-CG 3.96Å; F90-T129 HydrophobicContact CD1-CG2 3.97Å; F90-T129 HydrophobicContact CE1-CG2 4.3Å; F90-L132 HydrophobicContact CE2-CD1 4.02Å; F90-L132 HydrophobicContact CZ-CD1 3.7Å; F90-I134 HydrophobicContact CB-CG2 3.96Å; F90-I134 HydrophobicContact CD1-CG1 4.31Å; F90-I134 HydrophobicContact CD2-CD1 4.04Å; F90-I134 HydrophobicContact CD2-CG1 4.19Å; F90-I134 HydrophobicContact CE1-CG1 4.48Å; F90-I134 HydrophobicContact CE2-CD1 4.25Å; F90-I134 HydrophobicContact CE2-CG1 4.39Å; F90-I134 HydrophobicContact CG-CD1 4.44Å; F90-I134 HydrophobicContact CG-CG1 4.15Å; F90-I134 HydrophobicContact CG-CG2 4.26Å; F90-I137 HydrophobicContact CB-CD1 4.22Å; F90-T139 PolarHBondContact N-O 2.98Å; F90-T139 PolarHBondContact O-N 2.87Å; F90-A141 HydrophobicContact CD2-CB 4.25Å; F90-A141 HydrophobicContact CE2-CB 3.7Å
91	Y	97.5	Very high	96.1	Very high	9 Å²	9	56.1 Å²	56.1	4%	0.035	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	165.1	-169	84.9	-81.5	0	0	0	112.6	E69 H89 N93 K119 L120 N121 V122	E69-Y91 HydrophobicContact CG-CE1 4.47Å; E69-Y91 PolarHBondContact OE1-OH 3.27Å; E69-Y91 PolarHBondContact OE2-OH 3.16Å; H89-Y91 WeakPolarHBondContact CE1-CB 3.39Å; H89-Y91 PolarHBondContact O-N 3.31Å; Y91-N93 VanDerWaalsContact CE2-OD1 3.22Å; Y91-N93 WeakPolarHBondContact CE2-OD1 3.41Å; Y91-K119 HydrophobicContact CD1-CB 3.9Å; Y91-K119 HydrophobicContact CD1-CD 4.07Å; Y91-K119 HydrophobicContact CD1-CG 4.09Å; Y91-K119 HydrophobicContact CE1-CB 4.07Å; Y91-K119 HydrophobicContact CE1-CD 3.82Å; Y91-K119 HydrophobicContact CE1-CG 3.78Å; Y91-L120 VanDerWaalsContact CD1-C 3.41Å; Y91-L120 VanDerWaalsContact CD1-O 3.24Å; Y91-L120 WeakPolarHBondContact CD1-O 3.27Å; Y91-L120 PolarHBondContact N-O 3.07Å; Y91-L120 VanDerWaalsContact N-O 3.1Å; Y91-N121 HydrophobicContact CE1-CB 3.85Å; Y91-N121 HydrophobicContact CE2-CB 4.48Å; Y91-N121 WeakPolarHBondContact O-CA 3.32Å; Y91-V122 PolarHBondContact O-N 3.2Å
92	R	96	Very high	96.2	Very high	110 Å²	110	48.8 Å²	48.8	42%	0.415	23%	0.233	S	C	.	.			trans	-138.8	136.5	171.8	-165.3	178.7	-172.6	-174.6	4.7	110.2	S94 T95 V122 E123 I137	R92-S94 WeakPolarHBondContact CD-OG 3.41Å; R92-S94 PolarHBondContact O-N 2.85Å; R92-T95 PolarHBondContact O-N 3.42Å; R92-V122 HydrophobicContact CB-CG2 4.13Å; R92-V122 HydrophobicContact CG-CG2 4.37Å; R92-E123 IonicContact CZ-OE1 2.75Å; R92-E123 VanDerWaalsContact CZ-OE1 3.22Å; R92-E123 IonicContact NE-OE1 3.83Å; R92-E123 PolarHBondContact NE-OE1 3.14Å; R92-E123 IonicContact NH2-OE1 2.79Å; R92-E123 PolarHBondContact NH2-OE1 3.09Å; R92-I137 HydrophobicContact CB-CG2 4.09Å
93	N	92.3	Very high	96.3	Very high	115 Å²	115	50.5 Å²	50.5	62%	0.615	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-31.8	-174.7	-71.5	27	0	0	0	113.7	Y91 T95	Y91-N93 VanDerWaalsContact CE2-OD1 3.22Å; Y91-N93 WeakPolarHBondContact CE2-OD1 3.41Å; N93-T95 PolarHBondContact O-N 2.93Å
94	S	92.2	Very high	96.4	Very high	92 Å²	92	51.4 Å²	51.4	64%	0.643	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-10.1	-179.5	55.9	0	0	0	0	114	R92	R92-S94 WeakPolarHBondContact CD-OG 3.41Å; R92-S94 PolarHBondContact O-N 2.85Å
95	T	91.8	Very high	96.5	Very high	38 Å²	38	45.9 Å²	45.9	23%	0.233	22%	0.218	C	C	.	.			trans	-101.4	111.7	-173.8	-57.5	0	0	0	0	110.7	R92 N93 R97 C98 I137	R92-T95 PolarHBondContact O-N 3.42Å; N93-T95 PolarHBondContact O-N 2.93Å; T95-R97 VanDerWaalsContact C-N 3.31Å; T95-R97 HydrophobicContact CG2-CB 4.31Å; T95-R97 PolarHBondContact O-N 3.27Å; T95-C98 VanDerWaalsContact CB-SG 3.6Å; T95-C98 VanDerWaalsContact O-CB 3.29Å; T95-C98 WeakPolarHBondContact O-CB 3.49Å; T95-C98 PolarHBondContact O-N 3.02Å; T95-I137 HydrophobicContact CG2-CG2 4.42Å
96	F	93.9	Very high	96.5	Very high	135 Å²	135	47 Å²	47	59%	0.592	23%	0.23	S	C	*	.	H	α-helix	trans	-59	-39.5	-178	176.2	-104.5	0	0	0	113.2	C98 K99 I100	F96-C98 PolarHBondContact O-N 2.83Å; F96-C98 VanDerWaalsContact O-N 3.13Å; F96-K99 HydrophobicContact CD2-CD 4.4Å; F96-K99 VanDerWaalsContact O-CB 3.3Å; F96-K99 WeakPolarHBondContact O-CB 3.43Å; F96-K99 PolarHBondContact O-N 3.46Å; F96-I100 HydrophobicContact CD1-CD1 4.16Å; F96-I100 HydrophobicContact CE1-CD1 3.8Å; F96-I100 HydrophobicContact CE1-CG1 4.15Å
97	R	94.9	Very high	96.5	Very high	96 Å²	96	51.9 Å²	51.9	36%	0.362	26%	0.255	S	S	.	.	H	α-helix	trans	-57.9	-27.2	179.2	-73.5	-173.8	173.3	167.4	-2.5	113.9	T95 K99 I100 L101 P138 F155 D162	T95-R97 VanDerWaalsContact C-N 3.31Å; T95-R97 HydrophobicContact CG2-CB 4.31Å; T95-R97 PolarHBondContact O-N 3.27Å; R97-K99 VanDerWaalsContact C-N 3.27Å; R97-K99 PolarHBondContact O-N 3Å; R97-I100 WeakPolarHBondContact O-CB 3.36Å; R97-I100 PolarHBondContact O-N 3.33Å; R97-L101 PolarHBondContact O-N 3.23Å; R97-P138 HydrophobicContact CB-CG 4.09Å; R97-F155 HydrophobicContact CB-CE1 4.26Å; R97-F155 HydrophobicContact CB-CE2 3.92Å; R97-F155 HydrophobicContact CB-CZ 3.58Å; R97-F155 HydrophobicContact CG-CD2 4.34Å; R97-F155 HydrophobicContact CG-CE2 3.63Å; R97-F155 HydrophobicContact CG-CZ 3.86Å; R97-F155 WeakPolarHBondContact O-CZ 3.45Å; R97-D162 IonicContact CZ-OD1 2.9Å; R97-D162 IonicContact NE-OD1 3.36Å; R97-D162 PolarHBondContact NE-OD1 2.84Å; R97-D162 IonicContact NE-OD2 2.93Å; R97-D162 IonicContact NH2-OD1 3.04Å; R97-D162 PolarHBondContact NH2-OD1 3.5Å
98	C	96.8	Very high	96.5	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.02	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-38	172.1	-61.1	0	0	0	0	112	T95 F96 I100 L101 D102	T95-C98 VanDerWaalsContact CB-SG 3.6Å; T95-C98 VanDerWaalsContact O-CB 3.29Å; T95-C98 WeakPolarHBondContact O-CB 3.49Å; T95-C98 PolarHBondContact O-N 3.02Å; F96-C98 PolarHBondContact O-N 2.83Å; F96-C98 VanDerWaalsContact O-N 3.13Å; C98-I100 VanDerWaalsContact C-N 3.25Å; C98-I100 PolarHBondContact O-N 3.36Å; C98-L101 PolarHBondContact O-N 2.95Å; C98-D102 VanDerWaalsContact O-CG 3.29Å; C98-D102 PolarHBondContact O-N 3.27Å
99	K	96.7	Very high	96.4	Very high	122 Å²	122	51.9 Å²	51.9	53%	0.53	26%	0.255	S	S	.	.	H	α-helix	trans	-68.7	-26.3	179.7	-60.1	-176.8	178.2	179.8	0	112.4	F96 R97 K103	F96-K99 HydrophobicContact CD2-CD 4.4Å; F96-K99 VanDerWaalsContact O-CB 3.3Å; F96-K99 WeakPolarHBondContact O-CB 3.43Å; F96-K99 PolarHBondContact O-N 3.46Å; R97-K99 VanDerWaalsContact C-N 3.27Å; R97-K99 PolarHBondContact O-N 3Å; K99-K103 WeakPolarHBondContact O-CG 3.47Å; K99-K103 PolarHBondContact O-N 2.91Å
100	I	96.5	Very high	96.4	Very high	14 Å²	14	59.3 Å²	59.3	7%	0.072	29%	0.287	C	S	.	.	H	α-helix	trans	-69.8	-50.5	174.9	-61.4	170.2	0	0	0	108.6	F96 R97 C98 D102 K103 H104 F155 D162 F164	F96-I100 HydrophobicContact CD1-CD1 4.16Å; F96-I100 HydrophobicContact CE1-CD1 3.8Å; F96-I100 HydrophobicContact CE1-CG1 4.15Å; R97-I100 WeakPolarHBondContact O-CB 3.36Å; R97-I100 PolarHBondContact O-N 3.33Å; C98-I100 VanDerWaalsContact C-N 3.25Å; C98-I100 PolarHBondContact O-N 3.36Å; I100-D102 VanDerWaalsContact C-N 3.32Å; I100-D102 PolarHBondContact O-N 2.96Å; I100-K103 WeakPolarHBondContact O-CB 3.16Å; I100-K103 PolarHBondContact O-N 3.19Å; I100-K103 VanDerWaalsContact O-N 3.14Å; I100-H104 PolarHBondContact O-CD2 3.23Å; I100-H104 PolarHBondContact O-N 3.39Å; I100-F155 HydrophobicContact CB-CE2 4.49Å; I100-F155 HydrophobicContact CB-CZ 4.02Å; I100-F155 HydrophobicContact CD1-CE2 3.88Å; I100-F155 HydrophobicContact CD1-CZ 4.17Å; I100-F155 HydrophobicContact CG2-CE2 4.41Å; I100-F155 HydrophobicContact CG2-CZ 4.13Å; I100-D162 HydrophobicContact CD1-CB 3.72Å; I100-F164 HydrophobicContact CG2-CE1 3.93Å; I100-F164 HydrophobicContact CG2-CZ 4.01Å
101	L	97.1	Very high	96.3	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-59.7	-40.6	175.2	-81.6	171.5	0	0	0	112.6	R97 C98 K103 H104 L105 P138 L140 F155 F164 L169	R97-L101 PolarHBondContact O-N 3.23Å; C98-L101 PolarHBondContact O-N 2.95Å; L101-K103 PolarHBondContact O-N 3.5Å; L101-H104 PolarHBondContact O-N 2.98Å; L101-H104 VanDerWaalsContact O-N 3.14Å; L101-L105 HydrophobicContact CB-CD1 4.22Å; L101-L105 WeakPolarHBondContact O-CB 3.19Å; L101-L105 VanDerWaalsContact O-CG 3.23Å; L101-L105 WeakPolarHBondContact O-CG 3.23Å; L101-L105 PolarHBondContact O-N 2.81Å; L101-P138 HydrophobicContact CD1-CB 3.55Å; L101-P138 HydrophobicContact CD1-CG 3.58Å; L101-L140 HydrophobicContact CD1-CD2 4.18Å; L101-L140 HydrophobicContact CD1-CG 4.38Å; L101-L140 HydrophobicContact CD2-CD1 4.17Å; L101-F155 HydrophobicContact CD1-CE1 4.01Å; L101-F155 HydrophobicContact CG-CE1 3.92Å; L101-F164 HydrophobicContact CD2-CZ 4.02Å; L101-L169 HydrophobicContact CD2-CD1 4.25Å; L101-L169 HydrophobicContact CD2-CD2 3.76Å
102	D	97.7	Very high	96.3	Very high	34 Å²	34	65.2 Å²	65.2	18%	0.182	31%	0.313	C	S	.	.	H	α-helix	trans	-52.3	-41.3	176.1	-74.9	-22.8	0	0	0	112	Y67 H89 C98 I100 A106 K119	Y67-D102 HydrophobicContact CE1-CB 3.96Å; Y67-D102 VanDerWaalsContact CE1-OD1 3.22Å; Y67-D102 WeakPolarHBondContact CE1-OD1 3.31Å; Y67-D102 VanDerWaalsContact CZ-OD1 3.31Å; Y67-D102 PolarHBondContact OH-OD1 3.33Å; H89-D102 IonicContact CE1-OD1 3.77Å; H89-D102 IonicContact ND1-OD1 3.26Å; C98-D102 VanDerWaalsContact O-CG 3.29Å; C98-D102 PolarHBondContact O-N 3.27Å; I100-D102 VanDerWaalsContact C-N 3.32Å; I100-D102 PolarHBondContact O-N 2.96Å; D102-A106 VanDerWaalsContact O-CB 3.24Å; D102-A106 WeakPolarHBondContact O-CB 3.42Å; D102-A106 PolarHBondContact O-N 3.45Å; D102-A106 VanDerWaalsContact O-N 3.07Å; D102-K119 IonicContact OD1-NZ 3.22Å; D102-K119 IonicContact OD2-NZ 2.8Å
103	K	97.3	Very high	96.3	Very high	149 Å²	149	60.6 Å²	60.6	65%	0.648	30%	0.297	S	S	*	.	H	α-helix	trans	-66.1	-49	178.4	-68.2	174.1	-177.9	-179.8	0	112	K99 I100 L101 L107	K99-K103 WeakPolarHBondContact O-CG 3.47Å; K99-K103 PolarHBondContact O-N 2.91Å; I100-K103 WeakPolarHBondContact O-CB 3.16Å; I100-K103 PolarHBondContact O-N 3.19Å; I100-K103 VanDerWaalsContact O-N 3.14Å; L101-K103 PolarHBondContact O-N 3.5Å; K103-L107 WeakPolarHBondContact O-CG 3.45Å; K103-L107 PolarHBondContact O-N 3.38Å
104	H	97.9	Very high	96.5	Very high	27 Å²	27	56.1 Å²	56.1	13%	0.125	27%	0.273	C	S	.	.	H	α-helix	trans	-68.1	-43.3	-178.3	-64	-73.5	0	0	0	111.6	I100 L101 A106 L107 L108 F164 T166 L169	I100-H104 PolarHBondContact O-CD2 3.23Å; I100-H104 PolarHBondContact O-N 3.39Å; L101-H104 PolarHBondContact O-N 2.98Å; L101-H104 VanDerWaalsContact O-N 3.14Å; H104-A106 VanDerWaalsContact C-N 3.33Å; H104-A106 PolarHBondContact O-N 2.8Å; H104-L107 WeakPolarHBondContact O-CB 3.49Å; H104-L107 PolarHBondContact O-N 3.21Å; H104-L107 VanDerWaalsContact O-N 3.14Å; H104-L108 WeakPolarHBondContact O-CG 3.24Å; H104-L108 PolarHBondContact O-N 2.89Å; H104-F164 AromaticContact CD2-CE2 3.41Å; H104-F164 VanDerWaalsContact CD2-CE2 3.41Å; H104-F164 WeakPolarHBondContact CD2-CE2 3.49Å; H104-F164 AromaticContact CD2-CZ 3.63Å; H104-F164 PolarHBondContact CE1-O 3.4Å; H104-F164 VanDerWaalsContact CE1-O 3.27Å; H104-F164 AromaticContact CG-CE2 3.92Å; H104-F164 AromaticContact NE2-CE2 3.64Å; H104-F164 AromaticContact NE2-CZ 3.96Å; H104-T166 WeakPolarHBondContact ND1-CA 3.24Å; H104-T166 PolarHBondContact ND1-OG1 3.23Å; H104-L169 HydrophobicContact CB-CD2 3.62Å
105	L	98.3	Very high	96.8	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-36.3	178.9	-64.8	171	0	0	0	112	Y67 V87 H89 L101 L107 L108 A109 F117 L140 L169	Y67-L105 HydrophobicContact CD1-CB 4.45Å; Y67-L105 HydrophobicContact CD2-CB 3.96Å; Y67-L105 HydrophobicContact CE1-CB 4.42Å; Y67-L105 HydrophobicContact CE2-CB 3.91Å; Y67-L105 HydrophobicContact CE2-CD1 3.73Å; Y67-L105 HydrophobicContact CE2-CG 4.48Å; Y67-L105 HydrophobicContact CG-CB 4.21Å; V87-L105 HydrophobicContact CG1-CD2 4.26Å; H89-L105 HydrophobicContact CB-CD1 3.74Å; L101-L105 HydrophobicContact CB-CD1 4.22Å; L101-L105 WeakPolarHBondContact O-CB 3.19Å; L101-L105 VanDerWaalsContact O-CG 3.23Å; L101-L105 WeakPolarHBondContact O-CG 3.23Å; L101-L105 PolarHBondContact O-N 2.81Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 PolarHBondContact O-N 3Å; L105-L108 PolarHBondContact O-N 3.33Å; L105-A109 VanDerWaalsContact O-CB 3.27Å; L105-A109 WeakPolarHBondContact O-CB 3.34Å; L105-A109 PolarHBondContact O-N 3.26Å; L105-F117 HydrophobicContact CD2-CD1 3.86Å; L105-F117 HydrophobicContact CD2-CE1 4.08Å; L105-L140 HydrophobicContact CD1-CD2 3.91Å; L105-L140 HydrophobicContact CD2-CD1 4.34Å; L105-L169 HydrophobicContact CD2-CD2 4.1Å; L105-L169 HydrophobicContact CG-CD2 4.46Å
106	A	98.1	Very high	97.1	Very high	38 Å²	38	50 Å²	50	31%	0.314	23%	0.231	S	C	.	.	H	α-helix	trans	-64.2	-31.6	174.8	0	0	0	0	0	113.3	Y67 D102 H104	Y67-A106 HydrophobicContact CD1-CB 4.31Å; D102-A106 VanDerWaalsContact O-CB 3.24Å; D102-A106 WeakPolarHBondContact O-CB 3.42Å; D102-A106 PolarHBondContact O-N 3.45Å; D102-A106 VanDerWaalsContact O-N 3.07Å; H104-A106 VanDerWaalsContact C-N 3.33Å; H104-A106 PolarHBondContact O-N 2.8Å
107	L	97.9	Very high	97.3	Very high	103 Å²	103	43.6 Å²	43.6	54%	0.539	20%	0.203	S	C	.	.	H	α-helix	trans	-75.3	-46.2	173.5	-65.2	173.2	0	0	0	111.1	K103 H104 L105 A109 K110 K111 T166	K103-L107 WeakPolarHBondContact O-CG 3.45Å; K103-L107 PolarHBondContact O-N 3.38Å; H104-L107 WeakPolarHBondContact O-CB 3.49Å; H104-L107 PolarHBondContact O-N 3.21Å; H104-L107 VanDerWaalsContact O-N 3.14Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 PolarHBondContact O-N 3Å; L107-A109 VanDerWaalsContact C-N 3.34Å; L107-A109 PolarHBondContact O-N 2.83Å; L107-K110 PolarHBondContact O-N 2.87Å; L107-K111 PolarHBondContact O-N 2.94Å; L107-T166 HydrophobicContact CB-CG2 4.41Å
108	L	98	Very high	97.5	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-35.8	-178.6	-69	176	0	0	0	112.6	H104 L105 K110 K111 H112 F117 T166 L169 E170 L173	H104-L108 WeakPolarHBondContact O-CG 3.24Å; H104-L108 PolarHBondContact O-N 2.89Å; L105-L108 PolarHBondContact O-N 3.33Å; L108-K110 VanDerWaalsContact C-N 3.25Å; L108-K110 PolarHBondContact O-N 2.97Å; L108-K111 PolarHBondContact O-N 2.82Å; L108-H112 PolarHBondContact O-N 3.42Å; L108-F117 HydrophobicContact CB-CE1 4.26Å; L108-F117 HydrophobicContact CB-CZ 4.16Å; L108-T166 HydrophobicContact CD1-CG2 4.34Å; L108-T166 HydrophobicContact CD2-CG2 3.71Å; L108-T166 HydrophobicContact CG-CG2 3.8Å; L108-L169 HydrophobicContact CD1-CB 4.31Å; L108-L169 HydrophobicContact CD1-CD2 3.82Å; L108-L169 HydrophobicContact CD1-CG 3.88Å; L108-E170 HydrophobicContact CD2-CB 3.78Å; L108-E170 HydrophobicContact CD2-CG 3.8Å; L108-L173 HydrophobicContact CD1-CD1 3.99Å
109	A	98	Very high	97.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.1	-39.9	177.3	0	0	0	0	0	112.5	G65 L105 L107 K111 F117	G65-A109 CarbonylContact C-O 3.43Å; G65-A109 WeakPolarHBondContact CA-O 3.24Å; G65-A109 CarbonylContact O-C 3.58Å; L105-A109 VanDerWaalsContact O-CB 3.27Å; L105-A109 WeakPolarHBondContact O-CB 3.34Å; L105-A109 PolarHBondContact O-N 3.26Å; L107-A109 VanDerWaalsContact C-N 3.34Å; L107-A109 PolarHBondContact O-N 2.83Å; A109-K111 VanDerWaalsContact C-N 3.33Å; A109-K111 PolarHBondContact O-N 2.9Å; A109-F117 VanDerWaalsContact CA-CD2 3.42Å; A109-F117 HydrophobicContact CB-CB 3.88Å; A109-F117 HydrophobicContact CB-CD2 3.71Å; A109-F117 HydrophobicContact CB-CE2 4.47Å; A109-F117 HydrophobicContact CB-CG 3.92Å
110	K	96.9	Very high	97.6	Very high	156 Å²	156	34.9 Å²	34.9	68%	0.678	17%	0.167	S	C	*	.	H	α-helix	trans	-71.1	-29.8	178	-61.5	179.5	-175	-177.9	0	112.7	L107 L108	L107-K110 PolarHBondContact O-N 2.87Å; L108-K110 VanDerWaalsContact C-N 3.25Å; L108-K110 PolarHBondContact O-N 2.97Å
111	K	96.5	Very high	97.6	Very high	124 Å²	124	34.6 Å²	34.6	54%	0.539	17%	0.166	S	C	.	.	H	α-helix	trans	-81.1	-41.6	-178.6	-171.1	178.9	179.9	-173.9	0	111.7	L107 L108 A109 E170	L107-K111 PolarHBondContact O-N 2.94Å; L108-K111 PolarHBondContact O-N 2.82Å; A109-K111 VanDerWaalsContact C-N 3.33Å; A109-K111 PolarHBondContact O-N 2.9Å; K111-E170 VanDerWaalsContact CE-OE1 3.23Å; K111-E170 WeakPolarHBondContact CE-OE1 3.29Å; K111-E170 IonicContact NZ-OE1 3.95Å; K111-E170 PolarHBondContact NZ-OE1 3.02Å; K111-E170 IonicContact NZ-OE2 2.8Å; K111-E170 PolarHBondContact NZ-OE2 3.4Å
112	H	97.3	Very high	97.6	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.037	17%	0.172	C	C	.	.			trans	-109.6	71.7	-173.3	-65.1	-72.6	0	0	0	111.4	L108 E114 T115 F117 E170 I179	L108-H112 PolarHBondContact O-N 3.42Å; H112-E114 VanDerWaalsContact CA-OE2 3.24Å; H112-E114 WeakPolarHBondContact CA-OE2 3.48Å; H112-E114 WeakPolarHBondContact CB-OE1 3.43Å; H112-E114 IonicContact CG-OE1 2.7Å; H112-E114 IonicContact ND1-OE1 3.41Å; H112-E114 PolarHBondContact ND1-OE1 3.19Å; H112-E114 PolarHBondContact O-N 2.95Å; H112-T115 PolarHBondContact O-N 2.7Å; H112-T115 VanDerWaalsContact O-O 3.06Å; H112-F117 HydrophobicContact CB-CE2 3.94Å; H112-F117 HydrophobicContact CB-CZ 4.21Å; H112-E170 IonicContact CE1-OE1 2.99Å; H112-E170 PolarHBondContact CE1-OE1 3.1Å; H112-E170 IonicContact NE2-OE1 2.57Å; H112-E170 PolarHBondContact NE2-OE1 3.5Å; H112-I179 HydrophobicContact CB-CB 4.41Å; H112-I179 HydrophobicContact CB-CG2 4.09Å
113	V	96.8	Very high	97.4	Very high	14 Å²	14	39.4 Å²	39.4	9%	0.085	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.9	-178.4	-176.4	0	0	0	0	112.1	K56 W59 L60 H64 T115	K56-V113 HydrophobicContact CG-CG1 4.27Å; W59-V113 HydrophobicContact CB-CG1 3.91Å; W59-V113 WeakPolarHBondContact CB-O 3.35Å; W59-V113 HydrophobicContact CE3-CG1 4.41Å; L60-V113 HydrophobicContact CD2-CG1 3.72Å; L60-V113 HydrophobicContact CG-CG1 3.97Å; H64-V113 HydrophobicContact CB-CG1 4.14Å; H64-V113 WeakPolarHBondContact CB-O 3.4Å; H64-V113 PolarHBondContact ND1-O 3.09Å; V113-T115 PolarHBondContact O-N 3.34Å
114	E	95.9	Very high	97.2	Very high	21 Å²	21	37 Å²	37	10%	0.098	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.1	171.6	71.7	-78.3	-175.8	0	0	113.4	W59 H112 N180	W59-E114 HydrophobicContact CD2-CB 4.48Å; W59-E114 HydrophobicContact CE3-CB 4.15Å; W59-E114 HydrophobicContact CH2-CB 3.47Å; W59-E114 VanDerWaalsContact CH2-CB 3.47Å; W59-E114 HydrophobicContact CZ2-CB 3.79Å; W59-E114 HydrophobicContact CZ3-CB 3.67Å; H112-E114 VanDerWaalsContact CA-OE2 3.24Å; H112-E114 WeakPolarHBondContact CA-OE2 3.48Å; H112-E114 WeakPolarHBondContact CB-OE1 3.43Å; H112-E114 IonicContact CG-OE1 2.7Å; H112-E114 IonicContact ND1-OE1 3.41Å; H112-E114 PolarHBondContact ND1-OE1 3.19Å; H112-E114 PolarHBondContact O-N 2.95Å; E114-N180 HydrophobicContact CG-CB 4.33Å; E114-N180 WeakPolarHBondContact OE1-CB 3.47Å; E114-N180 PolarHBondContact OE1-N 2.8Å
115	T	98.1	Very high	97	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.2	-174.1	-54.1	0	0	0	0	110.8	N85 V87 H112 V113 F117 V178 I179	N85-T115 HydrophobicContact CB-CG2 4.04Å; V87-T115 HydrophobicContact CG2-CG2 3.76Å; H112-T115 PolarHBondContact O-N 2.7Å; H112-T115 VanDerWaalsContact O-O 3.06Å; V113-T115 PolarHBondContact O-N 3.34Å; T115-F117 HydrophobicContact CG2-CD2 4.32Å; T115-F117 HydrophobicContact CG2-CE2 3.81Å; T115-F117 HydrophobicContact CG2-CZ 3.93Å; T115-F117 VanDerWaalsContact O-CD2 3.23Å; T115-F117 WeakPolarHBondContact O-CD2 3.42Å; T115-F117 WeakPolarHBondContact O-CE2 3.45Å; T115-V178 WeakPolarHBondContact CG2-O 3.36Å; T115-V178 PolarHBondContact OG1-O 3.48Å; T115-I179 HydrophobicContact CG2-CG2 4.11Å
116	K	98	Very high	96.8	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	122.8	177.1	-154	166	-157.9	163.4	0	110.7	K62 H64 E79 S83 N85 V86 V87 I118	K62-K116 WeakPolarHBondContact O-CE 3.34Å; K62-K116 PolarHBondContact O-NZ 3.33Å; H64-K116 PolarHBondContact ND1-N 3.32Å; E79-K116 HydrophobicContact CB-CD 4.44Å; E79-K116 WeakPolarHBondContact OE2-CE 2.98Å; E79-K116 IonicContact OE2-NZ 3.17Å; E79-K116 PolarHBondContact OE2-NZ 3.14Å; S83-K116 WeakPolarHBondContact OG-CD 3.46Å; N85-K116 PolarHBondContact O-N 3.32Å; V86-K116 CarbonylContact C-O 3.58Å; V86-K116 WeakPolarHBondContact CA-O 3.34Å; V86-K116 HydrophobicContact CG2-CB 4.12Å; V87-K116 PolarHBondContact N-O 3.38Å; K116-I118 HydrophobicContact CG-CG2 4.26Å
117	F	98.6	Very high	96.7	Very high	1 Å²	1	43 Å²	43	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.2	177.8	-67	-93.3	0	0	0	109.9	Y67 R68 V87 L105 L108 A109 H112 T115 L173 I179	Y67-F117 HydrophobicContact CD2-CB 4Å; R68-F117 PolarHBondContact N-O 2.84Å; V87-F117 HydrophobicContact CB-CD1 3.79Å; V87-F117 HydrophobicContact CB-CE1 3.93Å; V87-F117 HydrophobicContact CG1-CD1 4.06Å; V87-F117 HydrophobicContact CG1-CE1 4.2Å; V87-F117 HydrophobicContact CG2-CD1 4.33Å; V87-F117 HydrophobicContact CG2-CE1 3.97Å; L105-F117 HydrophobicContact CD2-CD1 3.86Å; L105-F117 HydrophobicContact CD2-CE1 4.08Å; L108-F117 HydrophobicContact CB-CE1 4.26Å; L108-F117 HydrophobicContact CB-CZ 4.16Å; A109-F117 VanDerWaalsContact CA-CD2 3.42Å; A109-F117 HydrophobicContact CB-CB 3.88Å; A109-F117 HydrophobicContact CB-CD2 3.71Å; A109-F117 HydrophobicContact CB-CE2 4.47Å; A109-F117 HydrophobicContact CB-CG 3.92Å; H112-F117 HydrophobicContact CB-CE2 3.94Å; H112-F117 HydrophobicContact CB-CZ 4.21Å; T115-F117 HydrophobicContact CG2-CD2 4.32Å; T115-F117 HydrophobicContact CG2-CE2 3.81Å; T115-F117 HydrophobicContact CG2-CZ 3.93Å; T115-F117 VanDerWaalsContact O-CD2 3.23Å; T115-F117 WeakPolarHBondContact O-CD2 3.42Å; T115-F117 WeakPolarHBondContact O-CE2 3.45Å; F117-L173 HydrophobicContact CE1-CD1 3.88Å; F117-L173 HydrophobicContact CZ-CD1 4.33Å; F117-I179 HydrophobicContact CZ-CG2 4.06Å
118	I	98.4	Very high	96.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	160	-179.8	58.5	174	0	0	0	110.4	R68 I70 F76 E79 V86 V87 C88 H89 K116	R68-I118 HydrophobicContact CG-CG2 4.19Å; R68-I118 CarbonylContact O-C 3.59Å; R68-I118 VanDerWaalsContact O-CA 3.31Å; R68-I118 WeakPolarHBondContact O-CA 3.46Å; I70-I118 HydrophobicContact CD1-CD1 3.94Å; I70-I118 HydrophobicContact CG1-CD1 4.48Å; I70-I118 HydrophobicContact CG2-CB 4.41Å; I70-I118 HydrophobicContact CG2-CG2 4.28Å; F76-I118 HydrophobicContact CD2-CD1 3.98Å; F76-I118 HydrophobicContact CE2-CD1 4.45Å; E79-I118 HydrophobicContact CB-CD1 4.16Å; E79-I118 HydrophobicContact CG-CD1 4.36Å; V86-I118 HydrophobicContact CG1-CD1 3.83Å; V86-I118 HydrophobicContact CG1-CG1 4Å; V87-I118 PolarHBondContact O-N 3.32Å; C88-I118 WeakPolarHBondContact CA-O 3.23Å; C88-I118 HydrophobicContact CB-CD1 4.17Å; C88-I118 HydrophobicContact CB-CG1 3.9Å; H89-I118 PolarHBondContact N-O 3.14Å; K116-I118 HydrophobicContact CG-CG2 4.26Å
119	K	98.2	Very high	96.3	Very high	37 Å²	37	39.2 Å²	39.2	16%	0.161	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.6	169.3	71.5	177.3	-168.7	179.6	0	111.8	Y67 R68 E69 I70 H89 Y91 D102	Y67-K119 HydrophobicContact CE1-CD 3.96Å; Y67-K119 HydrophobicContact CE2-CB 3.86Å; Y67-K119 HydrophobicContact CE2-CD 4.5Å; Y67-K119 HydrophobicContact CE2-CG 4.37Å; Y67-K119 VanDerWaalsContact OH-CB 3.32Å; Y67-K119 WeakPolarHBondContact OH-CB 3.39Å; Y67-K119 WeakPolarHBondContact OH-CD 3.41Å; R68-K119 PolarHBondContact O-N 3.18Å; E69-K119 WeakPolarHBondContact CA-O 3.35Å; E69-K119 HydrophobicContact CB-CD 4.44Å; E69-K119 HydrophobicContact CB-CG 3.88Å; E69-K119 HydrophobicContact CG-CG 4.16Å; I70-K119 VanDerWaalsContact CG1-O 3.28Å; I70-K119 WeakPolarHBondContact CG1-O 3.43Å; I70-K119 PolarHBondContact N-O 3.38Å; H89-K119 HydrophobicContact CB-CB 4.02Å; H89-K119 CarbonylContact O-C 3.53Å; H89-K119 VanDerWaalsContact O-CA 3.26Å; H89-K119 WeakPolarHBondContact O-CA 3.49Å; H89-K119 WeakPolarHBondContact O-CB 3.34Å; Y91-K119 HydrophobicContact CD1-CB 3.9Å; Y91-K119 HydrophobicContact CD1-CD 4.07Å; Y91-K119 HydrophobicContact CD1-CG 4.09Å; Y91-K119 HydrophobicContact CE1-CB 4.07Å; Y91-K119 HydrophobicContact CE1-CD 3.82Å; Y91-K119 HydrophobicContact CE1-CG 3.78Å; D102-K119 IonicContact OD1-NZ 3.22Å; D102-K119 IonicContact OD2-NZ 2.8Å
120	L	97.9	Very high	96.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	127.1	-178.9	-177.4	60.6	0	0	0	109.8	I70 F76 H89 F90 Y91 V122 A125 L128	I70-L120 HydrophobicContact CD1-CB 4.09Å; I70-L120 HydrophobicContact CD1-CD1 4.02Å; I70-L120 HydrophobicContact CD1-CD2 4.12Å; I70-L120 HydrophobicContact CD1-CG 4.31Å; I70-L120 HydrophobicContact CG1-CB 3.98Å; I70-L120 HydrophobicContact CG1-CD1 3.92Å; I70-L120 HydrophobicContact CG1-CG 4.42Å; I70-L120 WeakPolarHBondContact O-CD1 3.47Å; F76-L120 HydrophobicContact CB-CD2 4.44Å; H89-L120 PolarHBondContact O-N 3.34Å; F90-L120 WeakPolarHBondContact CA-O 3.15Å; F90-L120 HydrophobicContact CE1-CD2 3.97Å; Y91-L120 VanDerWaalsContact CD1-C 3.41Å; Y91-L120 VanDerWaalsContact CD1-O 3.24Å; Y91-L120 WeakPolarHBondContact CD1-O 3.27Å; Y91-L120 PolarHBondContact N-O 3.07Å; Y91-L120 VanDerWaalsContact N-O 3.1Å; L120-V122 PolarHBondContact O-N 3.18Å; L120-A125 HydrophobicContact CD1-CB 4.09Å; L120-A125 HydrophobicContact CD2-CB 3.46Å; L120-A125 VanDerWaalsContact CD2-CB 3.46Å; L120-A125 HydrophobicContact CG-CB 3.69Å; L120-L128 HydrophobicContact CD2-CD2 3.67Å
121	N	97	Very high	96	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.043	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	124.8	176.2	-175.1	-26.4	0	0	0	108.7	Y91 E123 K124 A125	Y91-N121 HydrophobicContact CE1-CB 3.85Å; Y91-N121 HydrophobicContact CE2-CB 4.48Å; Y91-N121 WeakPolarHBondContact O-CA 3.32Å; N121-E123 PolarHBondContact O-N 3.17Å; N121-E123 WeakPolarHBondContact OD1-CB 3.23Å; N121-E123 PolarHBondContact OD1-N 3.43Å; N121-K124 HydrophobicContact CB-CD 4.17Å; N121-K124 HydrophobicContact CB-CG 4.18Å; N121-K124 PolarHBondContact O-N 2.9Å; N121-A125 PolarHBondContact O-N 2.91Å
122	V	96.1	Very high	95.9	Very high	24 Å²	24	40.7 Å²	40.7	15%	0.145	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-59.7	-29.2	-179.6	-63.3	0	0	0	0	113.9	F90 Y91 R92 L120 K124 A125 T129 I137	F90-V122 HydrophobicContact CB-CG1 3.93Å; F90-V122 HydrophobicContact CD1-CG1 4.22Å; Y91-V122 PolarHBondContact O-N 3.2Å; R92-V122 HydrophobicContact CB-CG2 4.13Å; R92-V122 HydrophobicContact CG-CG2 4.37Å; L120-V122 PolarHBondContact O-N 3.18Å; V122-K124 PolarHBondContact O-N 3.41Å; V122-A125 CarbonylContact O-C 3.55Å; V122-A125 PolarHBondContact O-N 3.23Å; V122-T129 HydrophobicContact CB-CG2 3.76Å; V122-T129 HydrophobicContact CG1-CG2 3.61Å; V122-I137 HydrophobicContact CG1-CD1 3.47Å; V122-I137 VanDerWaalsContact CG1-CD1 3.47Å; V122-I137 HydrophobicContact CG1-CG1 4.37Å
123	E	94.1	Very high	95.8	Very high	113 Å²	113	47.1 Å²	47.1	53%	0.528	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-69.9	-22.4	177.5	-61.6	176.5	154.2	0	0	112.1	R92 N121	R92-E123 IonicContact CZ-OE1 2.75Å; R92-E123 VanDerWaalsContact CZ-OE1 3.22Å; R92-E123 IonicContact NE-OE1 3.83Å; R92-E123 PolarHBondContact NE-OE1 3.14Å; R92-E123 IonicContact NH2-OE1 2.79Å; R92-E123 PolarHBondContact NH2-OE1 3.09Å; N121-E123 PolarHBondContact O-N 3.17Å; N121-E123 WeakPolarHBondContact OD1-CB 3.23Å; N121-E123 PolarHBondContact OD1-N 3.43Å
124	K	93.2	Very high	95.7	Very high	98 Å²	98	47.4 Å²	47.4	43%	0.426	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-93.8	-4.2	175.9	-59.3	179.7	-175	169.2	0	112.8	E69 N121 V122	E69-K124 IonicContact OE1-NZ 3.26Å; E69-K124 PolarHBondContact OE1-NZ 3.37Å; N121-K124 HydrophobicContact CB-CD 4.17Å; N121-K124 HydrophobicContact CB-CG 4.18Å; N121-K124 PolarHBondContact O-N 2.9Å; V122-K124 PolarHBondContact O-N 3.41Å
125	A	94.3	Very high	95.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.261	C	S	.	.			trans	-139.4	56.5	-170.7	0	0	0	0	0	113.9	E73 L120 N121 V122 F127 L128 T129	E73-A125 HydrophobicContact CG-CB 3.54Å; E73-A125 WeakPolarHBondContact OE1-CA 3.27Å; L120-A125 HydrophobicContact CD1-CB 4.09Å; L120-A125 HydrophobicContact CD2-CB 3.46Å; L120-A125 VanDerWaalsContact CD2-CB 3.46Å; L120-A125 HydrophobicContact CG-CB 3.69Å; N121-A125 PolarHBondContact O-N 2.91Å; V122-A125 CarbonylContact O-C 3.55Å; V122-A125 PolarHBondContact O-N 3.23Å; A125-F127 PolarHBondContact O-N 3.07Å; A125-L128 HydrophobicContact CB-CB 4.39Å; A125-L128 PolarHBondContact O-N 3.17Å; A125-T129 WeakPolarHBondContact O-CG2 3.24Å; A125-T129 PolarHBondContact O-N 2.61Å; A125-T129 PolarHBondContact O-OG1 2.85Å
126	P	94.4	Very high	95.4	Very high	84 Å²	84	58.7 Å²	58.7	55%	0.545	28%	0.282	S	S	.	.	H	α-helix	trans	-65.2	-37.9	-176.5	27.2	-34.6	0	0	0	113.4	T129 E130	P126-T129 WeakPolarHBondContact CA-OG1 3.33Å; P126-T129 PolarHBondContact O-OG1 3.38Å; P126-E130 WeakPolarHBondContact O-CB 3.29Å; P126-E130 PolarHBondContact O-N 3.26Å
127	F	95.1	Very high	95.2	Very high	109 Å²	109	60.8 Å²	60.8	48%	0.478	29%	0.293	S	S	.	.	H	α-helix	trans	-67.6	-42.3	179.5	165.3	-94.5	0	0	0	111.3	E73 F77 A125 E130 K131	E73-F127 VanDerWaalsContact OE1-CA 3.3Å; E73-F127 WeakPolarHBondContact OE1-CA 3.37Å; E73-F127 VanDerWaalsContact OE1-CB 3.28Å; E73-F127 WeakPolarHBondContact OE1-CB 3.47Å; E73-F127 PolarHBondContact OE1-N 3.44Å; F77-F127 HydrophobicContact CE2-CE1 4.4Å; F77-F127 HydrophobicContact CZ-CE1 4.14Å; A125-F127 PolarHBondContact O-N 3.07Å; F127-E130 PolarHBondContact O-N 2.96Å; F127-K131 WeakPolarHBondContact O-CB 3.36Å; F127-K131 PolarHBondContact O-N 3.12Å
128	L	93.5	Very high	95.1	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-71.3	-38.9	-179	-166.6	66	0	0	0	111.4	E73 F76 F77 F90 L120 A125 E130 K131 L132	E73-L128 HydrophobicContact CG-CB 4.13Å; E73-L128 PolarHBondContact OE1-N 2.92Å; F76-L128 HydrophobicContact CB-CD2 3.99Å; F76-L128 HydrophobicContact CD1-CD1 3.87Å; F76-L128 HydrophobicContact CD1-CD2 3.4Å; F76-L128 VanDerWaalsContact CD1-CD2 3.4Å; F76-L128 HydrophobicContact CD1-CG 4.31Å; F76-L128 HydrophobicContact CD2-CD2 3.83Å; F76-L128 HydrophobicContact CE1-CD1 3.76Å; F76-L128 HydrophobicContact CE1-CD2 3.73Å; F76-L128 HydrophobicContact CE1-CG 4.36Å; F76-L128 HydrophobicContact CE2-CD2 4.12Å; F76-L128 HydrophobicContact CG-CD2 3.45Å; F76-L128 VanDerWaalsContact CG-CD2 3.45Å; F76-L128 HydrophobicContact CZ-CD2 4.07Å; F77-L128 HydrophobicContact CE1-CD1 4.33Å; F77-L128 HydrophobicContact CZ-CD1 3.85Å; F90-L128 HydrophobicContact CE1-CD2 3.76Å; F90-L128 HydrophobicContact CE1-CG 4.07Å; F90-L128 HydrophobicContact CZ-CD2 3.61Å; F90-L128 HydrophobicContact CZ-CG 3.96Å; L120-L128 HydrophobicContact CD2-CD2 3.67Å; A125-L128 HydrophobicContact CB-CB 4.39Å; A125-L128 PolarHBondContact O-N 3.17Å; L128-E130 VanDerWaalsContact C-N 3.34Å; L128-K131 PolarHBondContact O-N 2.84Å; L128-L132 HydrophobicContact CD1-CD1 3.8Å; L128-L132 HydrophobicContact CD1-CG 4Å; L128-L132 HydrophobicContact CD2-CD1 4.39Å; L128-L132 HydrophobicContact CG-CD1 3.8Å; L128-L132 HydrophobicContact CG-CG 4.24Å; L128-L132 VanDerWaalsContact O-CB 3.29Å; L128-L132 WeakPolarHBondContact O-CB 3.5Å; L128-L132 WeakPolarHBondContact O-CG 3.48Å; L128-L132 PolarHBondContact O-N 3.01Å
129	T	94.1	Very high	95.1	Very high	23 Å²	23	61 Å²	61	14%	0.141	29%	0.294	C	S	.	.	H	α-helix	trans	-63.8	-39.4	174.6	50.1	0	0	0	0	112.3	F90 V122 A125 P126 H133 I134	F90-T129 HydrophobicContact CD1-CG2 3.97Å; F90-T129 HydrophobicContact CE1-CG2 4.3Å; V122-T129 HydrophobicContact CB-CG2 3.76Å; V122-T129 HydrophobicContact CG1-CG2 3.61Å; A125-T129 WeakPolarHBondContact O-CG2 3.24Å; A125-T129 PolarHBondContact O-N 2.61Å; A125-T129 PolarHBondContact O-OG1 2.85Å; P126-T129 WeakPolarHBondContact CA-OG1 3.33Å; P126-T129 PolarHBondContact O-OG1 3.38Å; T129-H133 CarbonylContact O-C 3.58Å; T129-H133 WeakPolarHBondContact O-CA 3.22Å; T129-H133 PolarHBondContact O-N 3.33Å; T129-H133 VanDerWaalsContact O-N 3.12Å; T129-I134 HydrophobicContact CG2-CB 4.14Å; T129-I134 HydrophobicContact CG2-CG1 4.43Å; T129-I134 PolarHBondContact O-N 3.06Å
130	E	95.6	Very high	95.1	Very high	150 Å²	150	59.2 Å²	59.2	70%	0.701	29%	0.286	S	S	*	.	H	α-helix	trans	-66.4	-50	172.7	-173.8	177	-175.3	0	0	111.3	P126 F127 L128 L132 H133	P126-E130 WeakPolarHBondContact O-CB 3.29Å; P126-E130 PolarHBondContact O-N 3.26Å; F127-E130 PolarHBondContact O-N 2.96Å; L128-E130 VanDerWaalsContact C-N 3.34Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 2.87Å; E130-H133 PolarHBondContact O-N 3.06Å
131	K	93.8	Very high	95.1	Very high	139 Å²	139	59.2 Å²	59.2	60%	0.604	29%	0.286	S	S	*	.	H	α-helix	trans	-61.6	-39.3	-176.2	-175.1	62.3	175.2	-177.4	0	113.2	F127 L128 H133	F127-K131 WeakPolarHBondContact O-CB 3.36Å; F127-K131 PolarHBondContact O-N 3.12Å; L128-K131 PolarHBondContact O-N 2.84Å; K131-H133 VanDerWaalsContact C-N 3.32Å; K131-H133 PolarHBondContact O-ND1 3.27Å
132	L	93.8	Very high	95.1	Very high	22 Å²	22	58.8 Å²	58.8	12%	0.115	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	6.3	177.8	-61.5	-177.8	0	0	0	112.6	F76 F90 L128 E130 I134 Y151	F76-L132 HydrophobicContact CZ-CD1 4.3Å; F90-L132 HydrophobicContact CE2-CD1 4.02Å; F90-L132 HydrophobicContact CZ-CD1 3.7Å; L128-L132 HydrophobicContact CD1-CD1 3.8Å; L128-L132 HydrophobicContact CD1-CG 4Å; L128-L132 HydrophobicContact CD2-CD1 4.39Å; L128-L132 HydrophobicContact CG-CD1 3.8Å; L128-L132 HydrophobicContact CG-CG 4.24Å; L128-L132 VanDerWaalsContact O-CB 3.29Å; L128-L132 WeakPolarHBondContact O-CB 3.5Å; L128-L132 WeakPolarHBondContact O-CG 3.48Å; L128-L132 PolarHBondContact O-N 3.01Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 2.87Å; L132-I134 VanDerWaalsContact C-N 3.29Å; L132-I134 HydrophobicContact CB-CD1 3.92Å; L132-I134 HydrophobicContact CB-CG1 3.93Å; L132-I134 PolarHBondContact O-N 3.45Å; L132-Y151 PolarHBondContact O-OH 2.89Å
133	H	94.1	Very high	95.2	Very high	143 Å²	143	57.9 Å²	57.9	66%	0.662	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	40	178.6	-55.9	87.8	0	0	0	114	T129 E130 K131 K135	T129-H133 CarbonylContact O-C 3.58Å; T129-H133 WeakPolarHBondContact O-CA 3.22Å; T129-H133 PolarHBondContact O-N 3.33Å; T129-H133 VanDerWaalsContact O-N 3.12Å; E130-H133 PolarHBondContact O-N 3.06Å; K131-H133 VanDerWaalsContact C-N 3.32Å; K131-H133 PolarHBondContact O-ND1 3.27Å; H133-K135 PolarHBondContact O-N 2.8Å
134	I	95.3	Very high	95.3	Very high	21 Å²	21	54.1 Å²	54.1	11%	0.108	26%	0.262	C	S	.	.			trans	-76.1	95.7	179.1	-49.3	-59.5	0	0	0	109.5	F90 T129 L132 I137 T139 Y151	F90-I134 HydrophobicContact CB-CG2 3.96Å; F90-I134 HydrophobicContact CD1-CG1 4.31Å; F90-I134 HydrophobicContact CD2-CD1 4.04Å; F90-I134 HydrophobicContact CD2-CG1 4.19Å; F90-I134 HydrophobicContact CE1-CG1 4.48Å; F90-I134 HydrophobicContact CE2-CD1 4.25Å; F90-I134 HydrophobicContact CE2-CG1 4.39Å; F90-I134 HydrophobicContact CG-CD1 4.44Å; F90-I134 HydrophobicContact CG-CG1 4.15Å; F90-I134 HydrophobicContact CG-CG2 4.26Å; T129-I134 HydrophobicContact CG2-CB 4.14Å; T129-I134 HydrophobicContact CG2-CG1 4.43Å; T129-I134 PolarHBondContact O-N 3.06Å; L132-I134 VanDerWaalsContact C-N 3.29Å; L132-I134 HydrophobicContact CB-CD1 3.92Å; L132-I134 HydrophobicContact CB-CG1 3.93Å; L132-I134 PolarHBondContact O-N 3.45Å; I134-I137 HydrophobicContact CG2-CD1 3.73Å; I134-T139 HydrophobicContact CD1-CG2 3.88Å; I134-Y151 HydrophobicContact CD1-CD1 4.21Å; I134-Y151 HydrophobicContact CD1-CE1 3.75Å
135	K	93.3	Very high	95.4	Very high	184 Å²	184	54.3 Å²	54.3	80%	0.8	27%	0.267	S	S	*	.			trans	-100.9	-23.4	-178.7	-64.8	179.2	-177.2	177.9	0	114.2	H133	H133-K135 PolarHBondContact O-N 2.8Å
136	V	94.4	Very high	95.4	Very high	74 Å²	74	56.3 Å²	56.3	45%	0.448	29%	0.288	S	S	.	.	S	Bend	trans	-120.1	141.3	-174.9	178	0	0	0	0	108.8	T139 V153	V136-T139 WeakPolarHBondContact O-CB 3.39Å; V136-T139 PolarHBondContact O-OG1 2.57Å; V136-V153 HydrophobicContact CB-CG1 3.68Å; V136-V153 HydrophobicContact CG1-CG1 4Å; V136-V153 HydrophobicContact CG2-CG1 4.13Å
137	I	94.4	Very high	95.4	Very high	44 Å²	44	59.9 Å²	59.9	23%	0.226	30%	0.295	C	S	.	.	S	Bend	trans	-124.9	134.7	179.3	-59	-62.5	0	0	0	109.4	F90 R92 T95 V122 I134	F90-I137 HydrophobicContact CB-CD1 4.22Å; R92-I137 HydrophobicContact CB-CG2 4.09Å; T95-I137 HydrophobicContact CG2-CG2 4.42Å; V122-I137 HydrophobicContact CG1-CD1 3.47Å; V122-I137 VanDerWaalsContact CG1-CD1 3.47Å; V122-I137 HydrophobicContact CG1-CG1 4.37Å; I134-I137 HydrophobicContact CG2-CD1 3.73Å
138	P	96.1	Very high	95.4	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.006	29%	0.288	C	S	.	.	S	Bend	cis	-75.2	152.5	-0.9	31.9	-35.5	0	0	0	113.3	H89 R97 L101 G154 F155	H89-P138 WeakPolarHBondContact NE2-CB 3.39Å; R97-P138 HydrophobicContact CB-CG 4.09Å; L101-P138 HydrophobicContact CD1-CB 3.55Å; L101-P138 HydrophobicContact CD1-CG 3.58Å; P138-G154 VanDerWaalsContact O-CA 3.29Å; P138-G154 WeakPolarHBondContact O-CA 3.44Å; P138-G154 PolarHBondContact O-N 3.44Å; P138-F155 HydrophobicContact CG-CE1 3.92Å
139	T	97.7	Very high	95.6	Very high	4 Å²	4	63 Å²	63	3%	0.025	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.9	168.8	-71.2	0	0	0	0	110.1	F90 I134 V136 Y151 V152 V153	F90-T139 PolarHBondContact N-O 2.98Å; F90-T139 PolarHBondContact O-N 2.87Å; I134-T139 HydrophobicContact CD1-CG2 3.88Å; V136-T139 WeakPolarHBondContact O-CB 3.39Å; V136-T139 PolarHBondContact O-OG1 2.57Å; T139-Y151 HydrophobicContact CG2-CD1 3.91Å; T139-V152 CarbonylContact C-O 3.58Å; T139-V152 WeakPolarHBondContact CA-O 3.49Å; T139-V153 HydrophobicContact CG2-CG2 4.32Å
140	L	98.2	Very high	95.7	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.7	167.8	-53	-179.3	0	0	0	109.2	V87 C88 H89 L101 L105 L142 Y151 V152 L169 L173	V87-L140 HydrophobicContact CG1-CB 4.45Å; V87-L140 HydrophobicContact CG1-CD1 4.43Å; V87-L140 HydrophobicContact CG1-CD2 4.47Å; C88-L140 CarbonylContact O-C 3.52Å; C88-L140 WeakPolarHBondContact O-CA 3.4Å; H89-L140 HydrophobicContact CB-CD2 3.56Å; L101-L140 HydrophobicContact CD1-CD2 4.18Å; L101-L140 HydrophobicContact CD1-CG 4.38Å; L101-L140 HydrophobicContact CD2-CD1 4.17Å; L105-L140 HydrophobicContact CD1-CD2 3.91Å; L105-L140 HydrophobicContact CD2-CD1 4.34Å; L140-L142 HydrophobicContact CB-CD2 3.95Å; L140-Y151 CarbonylContact O-C 3.59Å; L140-Y151 VanDerWaalsContact O-CA 3.24Å; L140-Y151 WeakPolarHBondContact O-CA 3.17Å; L140-V152 HydrophobicContact CB-CB 4.01Å; L140-V152 HydrophobicContact CB-CG2 4.39Å; L140-V152 HydrophobicContact CD1-CB 4.16Å; L140-V152 HydrophobicContact CD1-CG2 4.32Å; L140-V152 HydrophobicContact CG-CB 4.22Å; L140-V152 PolarHBondContact N-O 2.73Å; L140-V152 PolarHBondContact O-N 3.45Å; L140-L169 HydrophobicContact CD1-CD1 3.85Å; L140-L173 HydrophobicContact CD1-CD2 4.41Å
141	A	97.9	Very high	95.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.4	163.8	0	0	0	0	0	108.9	C88 F90 L143 Y151	C88-A141 PolarHBondContact N-O 3.23Å; C88-A141 PolarHBondContact O-N 2.71Å; F90-A141 HydrophobicContact CD2-CB 4.25Å; F90-A141 HydrophobicContact CE2-CB 3.7Å; A141-L143 HydrophobicContact CB-CD1 3.96Å; A141-L143 WeakPolarHBondContact O-CD1 3.32Å; A141-Y151 HydrophobicContact CB-CD1 3.96Å; A141-Y151 HydrophobicContact CB-CE1 3.71Å
142	L	98.1	Very high	95.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114	179.9	-48	-170.4	0	0	0	107.7	V87 L140 K149 D150 V152 L173 A176 V178	V87-L142 HydrophobicContact CB-CD2 4.49Å; V87-L142 HydrophobicContact CG1-CD2 3.97Å; V87-L142 HydrophobicContact CG2-CD2 4.04Å; L140-L142 HydrophobicContact CB-CD2 3.95Å; L142-K149 PolarHBondContact O-N 2.99Å; L142-D150 HydrophobicContact CB-CB 4.42Å; L142-D150 WeakPolarHBondContact CB-O 3.31Å; L142-D150 HydrophobicContact CD1-CB 4.23Å; L142-D150 PolarHBondContact N-O 2.95Å; L142-D150 PolarHBondContact O-N 2.56Å; L142-V152 HydrophobicContact CD1-CG2 4.08Å; L142-L173 HydrophobicContact CD1-CD2 3.98Å; L142-L173 HydrophobicContact CD2-CD2 3.38Å; L142-L173 HydrophobicContact CG-CD2 4.36Å; L142-A176 HydrophobicContact CB-CB 4.46Å; L142-A176 HydrophobicContact CD1-CB 3.48Å; L142-A176 VanDerWaalsContact CD1-CB 3.48Å; L142-V178 HydrophobicContact CB-CG1 3.85Å; L142-V178 HydrophobicContact CB-CG2 4.28Å; L142-V178 HydrophobicContact CD1-CG2 4.27Å; L142-V178 HydrophobicContact CD2-CG2 4.43Å
143	L	97.8	Very high	96	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.026	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136.6	-175.5	-59.6	96.1	0	0	0	111.2	F76 V80 V86 C88 A141 K147	F76-L143 HydrophobicContact CE1-CD2 4.49Å; F76-L143 HydrophobicContact CE2-CD1 4.34Å; F76-L143 HydrophobicContact CZ-CD1 4.12Å; F76-L143 HydrophobicContact CZ-CD2 3.85Å; V80-L143 HydrophobicContact CG1-CD2 3.97Å; V80-L143 HydrophobicContact CG2-CD2 4.06Å; V86-L143 HydrophobicContact CB-CB 4.28Å; V86-L143 HydrophobicContact CB-CD1 4.46Å; V86-L143 PolarHBondContact N-O 2.88Å; V86-L143 PolarHBondContact O-N 3.33Å; C88-L143 HydrophobicContact CB-CD1 4.47Å; A141-L143 HydrophobicContact CB-CD1 3.96Å; A141-L143 WeakPolarHBondContact O-CD1 3.32Å; L143-K147 CarbonylContact C-O 3.52Å; L143-K147 VanDerWaalsContact CA-O 3.23Å; L143-K147 WeakPolarHBondContact CA-O 3.32Å
144	L	96.9	Very high	95.9	Very high	34 Å²	34	49 Å²	49	18%	0.178	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	126.5	174.9	-172.8	67.9	0	0	0	108.6	K84 N85 G146 K147 K149	K84-L144 HydrophobicContact CG-CD1 4.46Å; K84-L144 CarbonylContact O-C 3.53Å; K84-L144 WeakPolarHBondContact O-CA 2.92Å; N85-L144 WeakPolarHBondContact OD1-CD1 3.3Å; L144-G146 PolarHBondContact O-N 3.37Å; L144-K147 PolarHBondContact N-O 2.92Å; L144-K147 PolarHBondContact O-N 3.13Å; L144-K149 HydrophobicContact CB-CB 4.33Å
145	D	95.1	Very high	95.9	Very high	101 Å²	101	48 Å²	48	54%	0.54	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	42.2	-179	-68.9	-65	0	0	0	112.7	K84 K147	K84-D145 VanDerWaalsContact CE-CG 3.42Å; K84-D145 WeakPolarHBondContact CE-OD1 3.45Å; K84-D145 WeakPolarHBondContact CE-OD2 3.38Å; K84-D145 VanDerWaalsContact CG-OD1 3.24Å; K84-D145 WeakPolarHBondContact CG-OD1 3.22Å; K84-D145 IonicContact NZ-OD2 3.4Å; K84-D145 PolarHBondContact O-N 3.38Å; D145-K147 PolarHBondContact O-N 3.19Å
146	G	93.7	Very high	95.7	Very high	42 Å²	42	44 Å²	44	43%	0.433	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	2	179.5	0	0	0	0	0	115.9	L144	L144-G146 PolarHBondContact O-N 3.37Å
147	K	94.6	Very high	95.4	Very high	159 Å²	159	43.6 Å²	43.6	69%	0.691	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	142.7	179.3	-64	177.2	-176.2	174.2	0	110.3	L143 L144 D145 K149	L143-K147 CarbonylContact C-O 3.52Å; L143-K147 VanDerWaalsContact CA-O 3.23Å; L143-K147 WeakPolarHBondContact CA-O 3.32Å; L144-K147 PolarHBondContact N-O 2.92Å; L144-K147 PolarHBondContact O-N 3.13Å; D145-K147 PolarHBondContact O-N 3.19Å; K147-K149 PolarHBondContact O-N 3.2Å
148	T	95.9	Very high	95.2	Very high	54 Å²	54	41.6 Å²	41.6	33%	0.331	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	117	171.6	-53.3	0	0	0	0	109.2	Y151	T148-Y151 HydrophobicContact CG2-CD2 4.16Å; T148-Y151 HydrophobicContact CG2-CE1 3.96Å; T148-Y151 HydrophobicContact CG2-CE2 3.42Å; T148-Y151 VanDerWaalsContact CG2-CE2 3.42Å; T148-Y151 WeakPolarHBondContact CG2-OH 3.39Å
149	K	96.7	Very high	94.8	Very high	122 Å²	122	44.6 Å²	44.6	53%	0.53	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-41.8	177.8	-178.9	66.3	-177	80.1	0	111.5	L142 L144 K147 A176	L142-K149 PolarHBondContact O-N 2.99Å; L144-K149 HydrophobicContact CB-CB 4.33Å; K147-K149 PolarHBondContact O-N 3.2Å; K149-A176 WeakPolarHBondContact CG-O 3.43Å
150	D	96.7	Very high	94.5	Very high	54 Å²	54	49.4 Å²	49.4	29%	0.289	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	172.9	-174.2	-164.7	12.4	0	0	0	111.2	L142 R172 A176	L142-D150 HydrophobicContact CB-CB 4.42Å; L142-D150 WeakPolarHBondContact CB-O 3.31Å; L142-D150 HydrophobicContact CD1-CB 4.23Å; L142-D150 PolarHBondContact N-O 2.95Å; L142-D150 PolarHBondContact O-N 2.56Å; D150-R172 IonicContact OD1-NH2 2.75Å; D150-R172 IonicContact OD2-CZ 3.54Å; D150-R172 IonicContact OD2-NH1 2.68Å; D150-R172 PolarHBondContact OD2-NH1 3.02Å; D150-R172 IonicContact OD2-NH2 2.94Å; D150-R172 PolarHBondContact OD2-NH2 3.34Å; D150-A176 HydrophobicContact CB-CB 4.1Å
151	Y	97.3	Very high	94.2	Very high	60 Å²	60	51.4 Å²	51.4	24%	0.235	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.9	173.7	-64.1	-86.5	0	0	0	111.8	L132 I134 T139 L140 A141 T148 R172	L132-Y151 PolarHBondContact O-OH 2.89Å; I134-Y151 HydrophobicContact CD1-CD1 4.21Å; I134-Y151 HydrophobicContact CD1-CE1 3.75Å; T139-Y151 HydrophobicContact CG2-CD1 3.91Å; L140-Y151 CarbonylContact O-C 3.59Å; L140-Y151 VanDerWaalsContact O-CA 3.24Å; L140-Y151 WeakPolarHBondContact O-CA 3.17Å; A141-Y151 HydrophobicContact CB-CD1 3.96Å; A141-Y151 HydrophobicContact CB-CE1 3.71Å; T148-Y151 HydrophobicContact CG2-CD2 4.16Å; T148-Y151 HydrophobicContact CG2-CE1 3.96Å; T148-Y151 HydrophobicContact CG2-CE2 3.42Å; T148-Y151 VanDerWaalsContact CG2-CE2 3.42Å; T148-Y151 WeakPolarHBondContact CG2-OH 3.39Å; Y151-R172 PolarHBondContact O-NH2 3.45Å; Y151-R172 VanDerWaalsContact O-NH2 3.15Å
152	V	96.6	Very high	93.9	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	108.3	162.2	-174	0	0	0	0	107.5	T139 L140 L142 D157 L158 R172	T139-V152 CarbonylContact C-O 3.58Å; T139-V152 WeakPolarHBondContact CA-O 3.49Å; L140-V152 HydrophobicContact CB-CB 4.01Å; L140-V152 HydrophobicContact CB-CG2 4.39Å; L140-V152 HydrophobicContact CD1-CB 4.16Å; L140-V152 HydrophobicContact CD1-CG2 4.32Å; L140-V152 HydrophobicContact CG-CB 4.22Å; L140-V152 PolarHBondContact N-O 2.73Å; L140-V152 PolarHBondContact O-N 3.45Å; L142-V152 HydrophobicContact CD1-CG2 4.08Å; V152-D157 HydrophobicContact CG1-CB 4.44Å; V152-L158 HydrophobicContact CG1-CD1 4.32Å; V152-L158 HydrophobicContact CG1-CG 4.35Å; V152-R172 HydrophobicContact CG2-CG 3.77Å
153	V	95.7	Very high	93.7	Very high	60 Å²	60	62 Å²	62	36%	0.364	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	113.5	-172.4	-174.9	0	0	0	0	110.2	V136 T139 T156	V136-V153 HydrophobicContact CB-CG1 3.68Å; V136-V153 HydrophobicContact CG1-CG1 4Å; V136-V153 HydrophobicContact CG2-CG1 4.13Å; T139-V153 HydrophobicContact CG2-CG2 4.32Å; V153-T156 PolarHBondContact O-OG1 3.38Å
154	G	92.4	Very high	93.5	Very high	8 Å²	8	62.4 Å²	62.4	8%	0.082	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	-139.8	-171.6	0	0	0	0	0	110.7	P138	P138-G154 VanDerWaalsContact O-CA 3.29Å; P138-G154 WeakPolarHBondContact O-CA 3.44Å; P138-G154 PolarHBondContact O-N 3.44Å
155	F	93.6	Very high	93.4	Very high	1 Å²	1	63.1 Å²	63.1	0%	0.004	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	13.7	177.7	-61.9	-12.3	0	0	0	112.7	R97 I100 L101 P138 D157 L158 G159 N160 T161 D162 F164	R97-F155 HydrophobicContact CB-CE1 4.26Å; R97-F155 HydrophobicContact CB-CE2 3.92Å; R97-F155 HydrophobicContact CB-CZ 3.58Å; R97-F155 HydrophobicContact CG-CD2 4.34Å; R97-F155 HydrophobicContact CG-CE2 3.63Å; R97-F155 HydrophobicContact CG-CZ 3.86Å; R97-F155 WeakPolarHBondContact O-CZ 3.45Å; I100-F155 HydrophobicContact CB-CE2 4.49Å; I100-F155 HydrophobicContact CB-CZ 4.02Å; I100-F155 HydrophobicContact CD1-CE2 3.88Å; I100-F155 HydrophobicContact CD1-CZ 4.17Å; I100-F155 HydrophobicContact CG2-CE2 4.41Å; I100-F155 HydrophobicContact CG2-CZ 4.13Å; L101-F155 HydrophobicContact CD1-CE1 4.01Å; L101-F155 HydrophobicContact CG-CE1 3.92Å; P138-F155 HydrophobicContact CG-CE1 3.92Å; F155-D157 VanDerWaalsContact C-N 3.31Å; F155-D157 PolarHBondContact O-N 2.75Å; F155-L158 HydrophobicContact CB-CB 4.4Å; F155-L158 HydrophobicContact CD1-CD1 4.13Å; F155-L158 CarbonylContact O-C 3.45Å; F155-L158 WeakPolarHBondContact O-CA 3.29Å; F155-L158 PolarHBondContact O-N 3.43Å; F155-G159 PolarHBondContact O-N 3.3Å; F155-N160 WeakPolarHBondContact O-CA 3.35Å; F155-N160 PolarHBondContact O-N 3.12Å; F155-T161 WeakPolarHBondContact CD2-O 3.41Å; F155-D162 WeakPolarHBondContact CD2-OD1 3.41Å; F155-D162 HydrophobicContact CE2-CB 4.49Å; F155-D162 WeakPolarHBondContact CE2-OD1 3.26Å; F155-F164 AromaticContact CD1-CE1 3.81Å; F155-F164 HydrophobicContact CD1-CE1 3.81Å; F155-F164 HydrophobicContact CD2-CD1 4.27Å; F155-F164 AromaticContact CD2-CE1 3.94Å; F155-F164 HydrophobicContact CD2-CE1 3.94Å; F155-F164 AromaticContact CE1-CE1 3.76Å; F155-F164 HydrophobicContact CE1-CE1 3.76Å; F155-F164 HydrophobicContact CE1-CZ 4.26Å; F155-F164 HydrophobicContact CE2-CD1 4.46Å; F155-F164 AromaticContact CE2-CE1 3.81Å; F155-F164 HydrophobicContact CE2-CE1 3.81Å; F155-F164 HydrophobicContact CG-CD1 4.35Å; F155-F164 AromaticContact CG-CE1 3.95Å; F155-F164 HydrophobicContact CG-CE1 3.95Å; F155-F164 AromaticContact CZ-CE1 3.74Å; F155-F164 HydrophobicContact CZ-CE1 3.74Å; F155-F164 HydrophobicContact CZ-CZ 4.42Å
156	T	90.6	Very high	93.5	Very high	99 Å²	99	60.2 Å²	60.2	61%	0.607	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-55.3	-47.4	-176.1	-47	0	0	0	0	111.4	V153 L158	V153-T156 PolarHBondContact O-OG1 3.38Å; T156-L158 PolarHBondContact O-N 2.92Å
157	D	86.9	Confident	93.5	Very high	66 Å²	66	64 Å²	64	35%	0.353	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-75.5	-6.5	179.1	-61	-4.5	0	0	0	113.3	V152 F155 R172	V152-D157 HydrophobicContact CG1-CB 4.44Å; F155-D157 VanDerWaalsContact C-N 3.31Å; F155-D157 PolarHBondContact O-N 2.75Å; D157-R172 HydrophobicContact CB-CG 4.37Å; D157-R172 IonicContact OD2-CZ 3.63Å; D157-R172 IonicContact OD2-NE 3.66Å; D157-R172 PolarHBondContact OD2-NE 3.39Å; D157-R172 IonicContact OD2-NH2 3.95Å; D157-R172 PolarHBondContact OD2-NH2 3.07Å
158	L	89.8	Confident	93.6	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.016	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-110.4	21.5	-176.1	-52.3	176.4	0	0	0	111.4	V152 F155 T156 F164 M168 L169 R172	V152-L158 HydrophobicContact CG1-CD1 4.32Å; V152-L158 HydrophobicContact CG1-CG 4.35Å; F155-L158 HydrophobicContact CB-CB 4.4Å; F155-L158 HydrophobicContact CD1-CD1 4.13Å; F155-L158 CarbonylContact O-C 3.45Å; F155-L158 WeakPolarHBondContact O-CA 3.29Å; F155-L158 PolarHBondContact O-N 3.43Å; T156-L158 PolarHBondContact O-N 2.92Å; L158-F164 HydrophobicContact CB-CB 4.21Å; L158-F164 HydrophobicContact CB-CD1 3.99Å; L158-F164 HydrophobicContact CB-CD2 4.45Å; L158-F164 HydrophobicContact CB-CG 3.96Å; L158-F164 HydrophobicContact CD1-CD1 4.01Å; L158-F164 HydrophobicContact CD1-CD2 4.08Å; L158-F164 HydrophobicContact CD1-CE1 3.72Å; L158-F164 HydrophobicContact CD1-CE2 3.81Å; L158-F164 HydrophobicContact CD1-CG 4.2Å; L158-F164 HydrophobicContact CD1-CZ 3.62Å; L158-M168 HydrophobicContact CB-CG 4.46Å; L158-M168 HydrophobicContact CD2-CG 3.99Å; L158-L169 HydrophobicContact CD1-CD1 4.18Å; L158-L169 HydrophobicContact CD2-CD1 4.18Å; L158-R172 HydrophobicContact CD2-CB 4.07Å; L158-R172 HydrophobicContact CD2-CG 4.27Å
159	G	87.8	Confident	93.6	Very high	63 Å²	63	54.9 Å²	54.9	65%	0.649	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	12.3	-178.6	0	0	0	0	0	114.4	F155 T161	F155-G159 PolarHBondContact O-N 3.3Å; G159-T161 PolarHBondContact O-N 2.81Å; G159-T161 VanDerWaalsContact O-N 3.12Å
160	N	91.8	Very high	93.6	Very high	105 Å²	105	49.7 Å²	49.7	56%	0.561	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	33	179.7	-163.2	31.5	0	0	0	114	F155	F155-N160 WeakPolarHBondContact O-CA 3.35Å; F155-N160 PolarHBondContact O-N 3.12Å
161	T	91.6	Very high	93.6	Very high	43 Å²	43	49 Å²	49	26%	0.264	27%	0.274	S	S	.	.			trans	-116.7	151.6	178.8	179.5	0	0	0	0	110.3	F155 G159 E163 F164	F155-T161 WeakPolarHBondContact CD2-O 3.41Å; G159-T161 PolarHBondContact O-N 2.81Å; G159-T161 VanDerWaalsContact O-N 3.12Å; T161-E163 VanDerWaalsContact C-N 3.26Å; T161-E163 PolarHBondContact OG1-N 2.89Å; T161-F164 HydrophobicContact CG2-CB 4.16Å; T161-F164 WeakPolarHBondContact O-CD1 3.25Å
162	D	92.8	Very high	93.5	Very high	62 Å²	62	47.3 Å²	47.3	33%	0.332	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-8	174.3	-69.5	-3.7	0	0	0	112	R97 I100 F155	R97-D162 IonicContact CZ-OD1 2.9Å; R97-D162 IonicContact NE-OD1 3.36Å; R97-D162 PolarHBondContact NE-OD1 2.84Å; R97-D162 IonicContact NE-OD2 2.93Å; R97-D162 IonicContact NH2-OD1 3.04Å; R97-D162 PolarHBondContact NH2-OD1 3.5Å; I100-D162 HydrophobicContact CD1-CB 3.72Å; F155-D162 WeakPolarHBondContact CD2-OD1 3.41Å; F155-D162 HydrophobicContact CE2-CB 4.49Å; F155-D162 WeakPolarHBondContact CE2-OD1 3.26Å
163	E	93.1	Very high	93.6	Very high	161 Å²	161	47.3 Å²	47.3	75%	0.752	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	28.4	-175.5	-59.3	-168.6	120	0	0	113.5	T161	T161-E163 VanDerWaalsContact C-N 3.26Å; T161-E163 PolarHBondContact OG1-N 2.89Å
164	F	93.9	Very high	93.6	Very high	13 Å²	13	44.6 Å²	44.6	6%	0.057	25%	0.251	C	S	.	.			trans	-66.3	150.8	176.9	65.8	-94.5	0	0	0	111.6	I100 L101 H104 F155 L158 T161 L169	I100-F164 HydrophobicContact CG2-CE1 3.93Å; I100-F164 HydrophobicContact CG2-CZ 4.01Å; L101-F164 HydrophobicContact CD2-CZ 4.02Å; H104-F164 AromaticContact CD2-CE2 3.41Å; H104-F164 VanDerWaalsContact CD2-CE2 3.41Å; H104-F164 WeakPolarHBondContact CD2-CE2 3.49Å; H104-F164 AromaticContact CD2-CZ 3.63Å; H104-F164 PolarHBondContact CE1-O 3.4Å; H104-F164 VanDerWaalsContact CE1-O 3.27Å; H104-F164 AromaticContact CG-CE2 3.92Å; H104-F164 AromaticContact NE2-CE2 3.64Å; H104-F164 AromaticContact NE2-CZ 3.96Å; F155-F164 AromaticContact CD1-CE1 3.81Å; F155-F164 HydrophobicContact CD1-CE1 3.81Å; F155-F164 HydrophobicContact CD2-CD1 4.27Å; F155-F164 AromaticContact CD2-CE1 3.94Å; F155-F164 HydrophobicContact CD2-CE1 3.94Å; F155-F164 AromaticContact CE1-CE1 3.76Å; F155-F164 HydrophobicContact CE1-CE1 3.76Å; F155-F164 HydrophobicContact CE1-CZ 4.26Å; F155-F164 HydrophobicContact CE2-CD1 4.46Å; F155-F164 AromaticContact CE2-CE1 3.81Å; F155-F164 HydrophobicContact CE2-CE1 3.81Å; F155-F164 HydrophobicContact CG-CD1 4.35Å; F155-F164 AromaticContact CG-CE1 3.95Å; F155-F164 HydrophobicContact CG-CE1 3.95Å; F155-F164 AromaticContact CZ-CE1 3.74Å; F155-F164 HydrophobicContact CZ-CE1 3.74Å; F155-F164 HydrophobicContact CZ-CZ 4.42Å; L158-F164 HydrophobicContact CB-CB 4.21Å; L158-F164 HydrophobicContact CB-CD1 3.99Å; L158-F164 HydrophobicContact CB-CD2 4.45Å; L158-F164 HydrophobicContact CB-CG 3.96Å; L158-F164 HydrophobicContact CD1-CD1 4.01Å; L158-F164 HydrophobicContact CD1-CD2 4.08Å; L158-F164 HydrophobicContact CD1-CE1 3.72Å; L158-F164 HydrophobicContact CD1-CE2 3.81Å; L158-F164 HydrophobicContact CD1-CG 4.2Å; L158-F164 HydrophobicContact CD1-CZ 3.62Å; T161-F164 HydrophobicContact CG2-CB 4.16Å; T161-F164 WeakPolarHBondContact O-CD1 3.25Å; F164-L169 HydrophobicContact CD2-CB 4.37Å; F164-L169 HydrophobicContact CE2-CB 3.98Å; F164-L169 HydrophobicContact CE2-CD2 4.36Å
165	S	95.1	Very high	93.7	Very high	49 Å²	49	46.9 Å²	46.9	34%	0.343	27%	0.265	S	S	.	.			trans	-78.5	154.3	178.9	67.6	0	0	0	0	111.8	E167 M168 L169	S165-E167 PolarHBondContact O-N 3.41Å; S165-M168 WeakPolarHBondContact O-CB 3.26Å; S165-M168 PolarHBondContact O-N 3.18Å; S165-M168 VanDerWaalsContact O-N 3.09Å; S165-M168 PolarHBondContact OG-N 2.98Å; S165-M168 VanDerWaalsContact OG-N 3.15Å; S165-L169 PolarHBondContact O-N 3.3Å
166	T	96.2	Very high	93.8	Very high	39 Å²	39	47 Å²	47	24%	0.239	27%	0.266	C	S	.	.	H	α-helix	trans	-56.5	-34	171.4	-53.6	0	0	0	0	111.6	H104 L107 L108 L169 E170	H104-T166 WeakPolarHBondContact ND1-CA 3.24Å; H104-T166 PolarHBondContact ND1-OG1 3.23Å; L107-T166 HydrophobicContact CB-CG2 4.41Å; L108-T166 HydrophobicContact CD1-CG2 4.34Å; L108-T166 HydrophobicContact CD2-CG2 3.71Å; L108-T166 HydrophobicContact CG-CG2 3.8Å; T166-L169 PolarHBondContact O-N 3.29Å; T166-E170 WeakPolarHBondContact O-CB 3.32Å; T166-E170 PolarHBondContact O-N 3.3Å
167	E	95.2	Very high	94	Very high	122 Å²	122	47.2 Å²	47.2	57%	0.57	26%	0.264	S	S	*	.	H	α-helix	trans	-64.8	-37.1	177.9	-61.6	167.3	163.2	0	0	112.3	S165 E170 W171 P189	S165-E167 PolarHBondContact O-N 3.41Å; E167-E170 WeakPolarHBondContact O-CB 3.48Å; E167-E170 PolarHBondContact O-N 3.31Å; E167-W171 VanDerWaalsContact O-CB 3.32Å; E167-W171 WeakPolarHBondContact O-CB 3.22Å; E167-W171 PolarHBondContact O-N 2.91Å; E167-P189 HydrophobicContact CB-CB 4.4Å; E167-P189 HydrophobicContact CB-CG 4.3Å
168	M	95.1	Very high	94.5	Very high	22 Å²	22	44.1 Å²	44.1	11%	0.108	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-46.2	174.7	177.8	59.7	81	0	0	110.9	L158 S165 W171 R172 P188 P189	L158-M168 HydrophobicContact CB-CG 4.46Å; L158-M168 HydrophobicContact CD2-CG 3.99Å; S165-M168 WeakPolarHBondContact O-CB 3.26Å; S165-M168 PolarHBondContact O-N 3.18Å; S165-M168 VanDerWaalsContact O-N 3.09Å; S165-M168 PolarHBondContact OG-N 2.98Å; S165-M168 VanDerWaalsContact OG-N 3.15Å; M168-W171 PolarHBondContact O-N 3.28Å; M168-W171 HydrophobicContact SD-CE3 4.11Å; M168-R172 WeakPolarHBondContact O-CB 3.17Å; M168-R172 PolarHBondContact O-N 3.19Å; M168-P188 HydrophobicContact CE-CB 4.37Å; M168-P188 HydrophobicContact SD-CB 4.48Å; M168-P189 WeakPolarHBondContact CE-O 3.3Å
169	L	96.6	Very high	94.8	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.7	-42.9	176.1	-179	61.3	0	0	0	111.2	L101 H104 L105 L108 L140 L158 F164 S165 T166 R172 L173	L101-L169 HydrophobicContact CD2-CD1 4.25Å; L101-L169 HydrophobicContact CD2-CD2 3.76Å; H104-L169 HydrophobicContact CB-CD2 3.62Å; L105-L169 HydrophobicContact CD2-CD2 4.1Å; L105-L169 HydrophobicContact CG-CD2 4.46Å; L108-L169 HydrophobicContact CD1-CB 4.31Å; L108-L169 HydrophobicContact CD1-CD2 3.82Å; L108-L169 HydrophobicContact CD1-CG 3.88Å; L140-L169 HydrophobicContact CD1-CD1 3.85Å; L158-L169 HydrophobicContact CD1-CD1 4.18Å; L158-L169 HydrophobicContact CD2-CD1 4.18Å; F164-L169 HydrophobicContact CD2-CB 4.37Å; F164-L169 HydrophobicContact CE2-CB 3.98Å; F164-L169 HydrophobicContact CE2-CD2 4.36Å; S165-L169 PolarHBondContact O-N 3.3Å; T166-L169 PolarHBondContact O-N 3.29Å; L169-R172 PolarHBondContact O-N 2.92Å; L169-L173 HydrophobicContact CD1-CG 4.45Å; L169-L173 HydrophobicContact CG-CD1 4.48Å; L169-L173 WeakPolarHBondContact O-CG 3.28Å; L169-L173 PolarHBondContact O-N 3.05Å
170	E	96.9	Very high	95.1	Very high	12 Å²	12	46 Å²	46	6%	0.056	24%	0.243	C	C	.	.	H	α-helix	trans	-56.5	-51.1	175.6	-165.4	-179.3	162.8	0	0	111.4	L108 K111 H112 T166 E167 R172 L173 G174 I179 Y181	L108-E170 HydrophobicContact CD2-CB 3.78Å; L108-E170 HydrophobicContact CD2-CG 3.8Å; K111-E170 VanDerWaalsContact CE-OE1 3.23Å; K111-E170 WeakPolarHBondContact CE-OE1 3.29Å; K111-E170 IonicContact NZ-OE1 3.95Å; K111-E170 PolarHBondContact NZ-OE1 3.02Å; K111-E170 IonicContact NZ-OE2 2.8Å; K111-E170 PolarHBondContact NZ-OE2 3.4Å; H112-E170 IonicContact CE1-OE1 2.99Å; H112-E170 PolarHBondContact CE1-OE1 3.1Å; H112-E170 IonicContact NE2-OE1 2.57Å; H112-E170 PolarHBondContact NE2-OE1 3.5Å; T166-E170 WeakPolarHBondContact O-CB 3.32Å; T166-E170 PolarHBondContact O-N 3.3Å; E167-E170 WeakPolarHBondContact O-CB 3.48Å; E167-E170 PolarHBondContact O-N 3.31Å; E170-R172 VanDerWaalsContact C-N 3.3Å; E170-R172 PolarHBondContact O-N 3.26Å; E170-L173 PolarHBondContact O-N 2.85Å; E170-G174 PolarHBondContact O-N 3.49Å; E170-I179 HydrophobicContact CG-CD1 3.62Å; E170-I179 VanDerWaalsContact O-CD1 3.22Å; E170-I179 WeakPolarHBondContact O-CD1 3.03Å; E170-Y181 HydrophobicContact CG-CD2 4.02Å; E170-Y181 HydrophobicContact CG-CE2 4.16Å
171	W	96	Very high	95.2	Very high	39 Å²	39	43.8 Å²	43.8	15%	0.148	23%	0.226	C	C	.	.	H	α-helix	trans	-57.1	-43.6	176.7	173.5	89	0	0	0	111.8	E167 M168 L173 G174 C175 Y181 N184 L185 P188 P189	E167-W171 VanDerWaalsContact O-CB 3.32Å; E167-W171 WeakPolarHBondContact O-CB 3.22Å; E167-W171 PolarHBondContact O-N 2.91Å; M168-W171 PolarHBondContact O-N 3.28Å; M168-W171 HydrophobicContact SD-CE3 4.11Å; W171-L173 VanDerWaalsContact C-N 3.34Å; W171-L173 PolarHBondContact O-N 2.88Å; W171-G174 CarbonylContact O-C 3.59Å; W171-G174 WeakPolarHBondContact O-CA 3.41Å; W171-G174 PolarHBondContact O-N 3.38Å; W171-G174 VanDerWaalsContact O-N 3.11Å; W171-C175 VanDerWaalsContact CZ2-SG 3.51Å; W171-C175 PolarHBondContact O-N 3.07Å; W171-C175 PolarHBondContact O-SG 2.94Å; W171-Y181 HydrophobicContact CB-CE2 4.27Å; W171-Y181 AromaticContact CD1-CE1 3.83Å; W171-Y181 AromaticContact CD1-CZ 3.86Å; W171-N184 PolarHBondContact NE1-O 2.89Å; W171-L185 WeakPolarHBondContact CZ2-O 3.42Å; W171-L185 PolarHBondContact NE1-O 2.73Å; W171-P188 HydrophobicContact CD2-CB 4.1Å; W171-P188 HydrophobicContact CE3-CB 4.07Å; W171-P188 HydrophobicContact CH2-CB 3.79Å; W171-P188 HydrophobicContact CH2-CG 4.42Å; W171-P188 HydrophobicContact CZ2-CB 3.77Å; W171-P188 HydrophobicContact CZ2-CG 4.37Å; W171-P188 HydrophobicContact CZ3-CB 3.93Å; W171-P189 HydrophobicContact CB-CG 3.88Å; W171-P189 VanDerWaalsContact CG-CD 3.49Å; W171-P189 HydrophobicContact CG-CG 4.26Å
172	R	96.4	Very high	95.1	Very high	26 Å²	26	47.4 Å²	47.4	10%	0.098	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-37.9	179.4	179.8	60.3	-174	93.8	-5.4	112.6	D150 Y151 V152 D157 L158 M168 L169 E170	D150-R172 IonicContact OD1-NH2 2.75Å; D150-R172 IonicContact OD2-CZ 3.54Å; D150-R172 IonicContact OD2-NH1 2.68Å; D150-R172 PolarHBondContact OD2-NH1 3.02Å; D150-R172 IonicContact OD2-NH2 2.94Å; D150-R172 PolarHBondContact OD2-NH2 3.34Å; Y151-R172 PolarHBondContact O-NH2 3.45Å; Y151-R172 VanDerWaalsContact O-NH2 3.15Å; V152-R172 HydrophobicContact CG2-CG 3.77Å; D157-R172 HydrophobicContact CB-CG 4.37Å; D157-R172 IonicContact OD2-CZ 3.63Å; D157-R172 IonicContact OD2-NE 3.66Å; D157-R172 PolarHBondContact OD2-NE 3.39Å; D157-R172 IonicContact OD2-NH2 3.95Å; D157-R172 PolarHBondContact OD2-NH2 3.07Å; L158-R172 HydrophobicContact CD2-CB 4.07Å; L158-R172 HydrophobicContact CD2-CG 4.27Å; M168-R172 WeakPolarHBondContact O-CB 3.17Å; M168-R172 PolarHBondContact O-N 3.19Å; L169-R172 PolarHBondContact O-N 2.92Å; E170-R172 VanDerWaalsContact C-N 3.3Å; E170-R172 PolarHBondContact O-N 3.26Å
173	L	97.1	Very high	94.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68	-39.5	172.2	-65	179.9	0	0	0	111.1	V87 L108 F117 L140 L142 L169 E170 W171 C175 A176 D177 V178 I179	V87-L173 HydrophobicContact CG1-CD2 4.29Å; V87-L173 HydrophobicContact CG2-CD2 4.12Å; L108-L173 HydrophobicContact CD1-CD1 3.99Å; F117-L173 HydrophobicContact CE1-CD1 3.88Å; F117-L173 HydrophobicContact CZ-CD1 4.33Å; L140-L173 HydrophobicContact CD1-CD2 4.41Å; L142-L173 HydrophobicContact CD1-CD2 3.98Å; L142-L173 HydrophobicContact CD2-CD2 3.38Å; L142-L173 HydrophobicContact CG-CD2 4.36Å; L169-L173 HydrophobicContact CD1-CG 4.45Å; L169-L173 HydrophobicContact CG-CD1 4.48Å; L169-L173 WeakPolarHBondContact O-CG 3.28Å; L169-L173 PolarHBondContact O-N 3.05Å; E170-L173 PolarHBondContact O-N 2.85Å; W171-L173 VanDerWaalsContact C-N 3.34Å; W171-L173 PolarHBondContact O-N 2.88Å; L173-C175 VanDerWaalsContact C-N 3.32Å; L173-C175 PolarHBondContact O-N 2.95Å; L173-A176 PolarHBondContact O-N 3.37Å; L173-A176 VanDerWaalsContact O-N 3.12Å; L173-D177 PolarHBondContact O-N 3.42Å; L173-V178 HydrophobicContact CB-CG2 4.06Å; L173-V178 HydrophobicContact CD2-CG2 4.21Å; L173-V178 WeakPolarHBondContact O-CG2 3.15Å; L173-V178 PolarHBondContact O-N 3.05Å; L173-I179 HydrophobicContact CB-CD1 3.85Å; L173-I179 HydrophobicContact CB-CG1 3.94Å; L173-I179 HydrophobicContact CB-CG2 4.22Å; L173-I179 HydrophobicContact CD1-CG2 4.42Å
174	G	96.3	Very high	94.5	Very high	3 Å²	3	42.5 Å²	42.5	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-38.6	175.2	0	0	0	0	0	113	E170 W171 A176 D177	E170-G174 PolarHBondContact O-N 3.49Å; W171-G174 CarbonylContact O-C 3.59Å; W171-G174 WeakPolarHBondContact O-CA 3.41Å; W171-G174 PolarHBondContact O-N 3.38Å; W171-G174 VanDerWaalsContact O-N 3.11Å; G174-A176 PolarHBondContact O-N 3.2Å; G174-D177 PolarHBondContact O-N 2.76Å
175	C	94.9	Very high	94.3	Very high	57 Å²	57	45.6 Å²	45.6	39%	0.385	26%	0.258	S	S	.	.	H	α-helix	trans	-60.5	-27	175.6	-67.5	0	0	0	0	113.2	W171 L173 D177	W171-C175 VanDerWaalsContact CZ2-SG 3.51Å; W171-C175 PolarHBondContact O-N 3.07Å; W171-C175 PolarHBondContact O-SG 2.94Å; L173-C175 VanDerWaalsContact C-N 3.32Å; L173-C175 PolarHBondContact O-N 2.95Å; C175-D177 VanDerWaalsContact C-N 3.34Å
176	A	95.1	Very high	93.7	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.017	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	1.2	176.2	0	0	0	0	0	113.3	L142 K149 D150 L173 G174 V178	L142-A176 HydrophobicContact CB-CB 4.46Å; L142-A176 HydrophobicContact CD1-CB 3.48Å; L142-A176 VanDerWaalsContact CD1-CB 3.48Å; K149-A176 WeakPolarHBondContact CG-O 3.43Å; D150-A176 HydrophobicContact CB-CB 4.1Å; L173-A176 PolarHBondContact O-N 3.37Å; L173-A176 VanDerWaalsContact O-N 3.12Å; G174-A176 PolarHBondContact O-N 3.2Å; A176-V178 HydrophobicContact CB-CG1 4.31Å; A176-V178 HydrophobicContact CB-CG2 4.31Å; A176-V178 PolarHBondContact O-N 3.5Å
177	D	95.5	Very high	93.1	Very high	105 Å²	105	55.9 Å²	55.9	56%	0.561	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	22.3	-177	-161.1	37.7	0	0	0	113.5	L173 G174 C175	L173-D177 PolarHBondContact O-N 3.42Å; G174-D177 PolarHBondContact O-N 2.76Å; C175-D177 VanDerWaalsContact C-N 3.34Å
178	V	96.4	Very high	92.6	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-86.2	-13.6	177.8	-63.9	0	0	0	0	112.7	N85 V87 T115 L142 L173 A176	N85-V178 WeakPolarHBondContact CB-O 3.37Å; N85-V178 PolarHBondContact ND2-O 3.29Å; V87-V178 HydrophobicContact CG2-CG2 4Å; T115-V178 WeakPolarHBondContact CG2-O 3.36Å; T115-V178 PolarHBondContact OG1-O 3.48Å; L142-V178 HydrophobicContact CB-CG1 3.85Å; L142-V178 HydrophobicContact CB-CG2 4.28Å; L142-V178 HydrophobicContact CD1-CG2 4.27Å; L142-V178 HydrophobicContact CD2-CG2 4.43Å; L173-V178 HydrophobicContact CB-CG2 4.06Å; L173-V178 HydrophobicContact CD2-CG2 4.21Å; L173-V178 WeakPolarHBondContact O-CG2 3.15Å; L173-V178 PolarHBondContact O-N 3.05Å; A176-V178 HydrophobicContact CB-CG1 4.31Å; A176-V178 HydrophobicContact CB-CG2 4.31Å; A176-V178 PolarHBondContact O-N 3.5Å
179	I	96.9	Very high	92.1	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	30%	0.297	C	S	.	.	S	Bend	trans	-129.2	157.6	172.9	62.6	165.6	0	0	0	110.1	H112 T115 F117 E170 L173 Y181	H112-I179 HydrophobicContact CB-CB 4.41Å; H112-I179 HydrophobicContact CB-CG2 4.09Å; T115-I179 HydrophobicContact CG2-CG2 4.11Å; F117-I179 HydrophobicContact CZ-CG2 4.06Å; E170-I179 HydrophobicContact CG-CD1 3.62Å; E170-I179 VanDerWaalsContact O-CD1 3.22Å; E170-I179 WeakPolarHBondContact O-CD1 3.03Å; L173-I179 HydrophobicContact CB-CD1 3.85Å; L173-I179 HydrophobicContact CB-CG1 3.94Å; L173-I179 HydrophobicContact CB-CG2 4.22Å; L173-I179 HydrophobicContact CD1-CG2 4.42Å; I179-Y181 PolarHBondContact O-N 3.48Å
180	N	94.5	Very high	91.1	Very high	105 Å²	105	60.3 Å²	60.3	56%	0.561	34%	0.339	S	S	*	.			trans	-79.5	85.9	171.5	-67.5	-15.7	0	0	0	109.8	E114	E114-N180 HydrophobicContact CG-CB 4.33Å; E114-N180 WeakPolarHBondContact OE1-CB 3.47Å; E114-N180 PolarHBondContact OE1-N 2.8Å
181	Y	94.3	Very high	89.2	Confident	57 Å²	57	62.4 Å²	62.4	22%	0.224	36%	0.364	C	S	.	.			trans	-83.1	131.7	178.5	-172.8	-111.4	0	0	0	111.5	E170 W171 I179 G183 L185	E170-Y181 HydrophobicContact CG-CD2 4.02Å; E170-Y181 HydrophobicContact CG-CE2 4.16Å; W171-Y181 HydrophobicContact CB-CE2 4.27Å; W171-Y181 AromaticContact CD1-CE1 3.83Å; W171-Y181 AromaticContact CD1-CZ 3.86Å; I179-Y181 PolarHBondContact O-N 3.48Å; Y181-G183 WeakPolarHBondContact CD1-O 3.48Å; Y181-G183 WeakPolarHBondContact CE1-O 3.39Å; Y181-L185 HydrophobicContact CD1-CD2 3.41Å; Y181-L185 VanDerWaalsContact CD1-CD2 3.41Å; Y181-L185 HydrophobicContact CD1-CG 3.97Å; Y181-L185 HydrophobicContact CE1-CD2 3.9Å; Y181-L185 HydrophobicContact CE1-CG 4.44Å; Y181-L185 HydrophobicContact CG-CD2 4.22Å
182	S	88.4	Confident	86.8	Confident	119 Å²	119	65.7 Å²	65.7	83%	0.832	39%	0.388	S	S	*	.			trans	-101.4	-3.9	-178.6	58.6	0	0	0	0	114.6
183	G	87.5	Confident	84.2	Confident	38 Å²	38	71.8 Å²	71.8	39%	0.392	42%	0.418	S	S	.	.	S	Bend	trans	-90.9	-175.8	-179.7	0	0	0	0	0	113.8	Y181 L185	Y181-G183 WeakPolarHBondContact CD1-O 3.48Å; Y181-G183 WeakPolarHBondContact CE1-O 3.39Å; G183-L185 PolarHBondContact O-N 2.99Å
184	N	86.6	Confident	81.7	Confident	82 Å²	82	81 Å²	81	44%	0.439	46%	0.458	S	S	.	.			trans	-79.6	116.5	175.8	-172.3	-9.2	0	0	0	110.6	W171 M186	W171-N184 PolarHBondContact NE1-O 2.89Å; N184-M186 VanDerWaalsContact C-N 3.29Å; N184-M186 PolarHBondContact O-N 3.45Å; N184-M186 WeakPolarHBondContact OD1-CB 3.28Å; N184-M186 PolarHBondContact OD1-N 3.21Å
185	L	88.3	Confident	78.7	Confident	78 Å²	78	86.9 Å²	86.9	41%	0.408	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-18.2	178.5	-69	172.7	0	0	0	113.5	W171 Y181 G183	W171-L185 WeakPolarHBondContact CZ2-O 3.42Å; W171-L185 PolarHBondContact NE1-O 2.73Å; Y181-L185 HydrophobicContact CD1-CD2 3.41Å; Y181-L185 VanDerWaalsContact CD1-CD2 3.41Å; Y181-L185 HydrophobicContact CD1-CG 3.97Å; Y181-L185 HydrophobicContact CE1-CD2 3.9Å; Y181-L185 HydrophobicContact CE1-CG 4.44Å; Y181-L185 HydrophobicContact CG-CD2 4.22Å; G183-L185 PolarHBondContact O-N 2.99Å
186	M	83.9	Confident	76.1	Confident	167 Å²	167	87.2 Å²	87.2	82%	0.823	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.7	-179.1	-62.6	-61.7	174.3	0	0	113.1	N184	N184-M186 VanDerWaalsContact C-N 3.29Å; N184-M186 PolarHBondContact O-N 3.45Å; N184-M186 WeakPolarHBondContact OD1-CB 3.28Å; N184-M186 PolarHBondContact OD1-N 3.21Å
187	E	83.8	Confident	73.4	Confident	137 Å²	137	92.6 Å²	92.6	64%	0.64	55%	0.55	S	S	*	.	S	Bend	trans	-118.7	103.2	-176.1	-69.5	178.4	178.3	0	0	109.1
188	P	84.1	Confident	70.6	Confident	62 Å²	62	96.4 Å²	96.4	40%	0.403	56%	0.561	S	S	.	*			trans	-61.6	144.6	174.9	25	-32	0	0	0	109.7	M168 W171 T190	M168-P188 HydrophobicContact CE-CB 4.37Å; M168-P188 HydrophobicContact SD-CB 4.48Å; W171-P188 HydrophobicContact CD2-CB 4.1Å; W171-P188 HydrophobicContact CE3-CB 4.07Å; W171-P188 HydrophobicContact CH2-CB 3.79Å; W171-P188 HydrophobicContact CH2-CG 4.42Å; W171-P188 HydrophobicContact CZ2-CB 3.77Å; W171-P188 HydrophobicContact CZ2-CG 4.37Å; W171-P188 HydrophobicContact CZ3-CB 3.93Å; P188-T190 PolarHBondContact O-N 3.25Å
189	P	83.7	Confident	68	Low	32 Å²	32	104.4 Å²	104.4	21%	0.208	60%	0.602	C	S	.	*			trans	-58.2	107.6	171.8	-19.4	30.2	0	0	0	108.8	E167 M168 W171 G191	E167-P189 HydrophobicContact CB-CB 4.4Å; E167-P189 HydrophobicContact CB-CG 4.3Å; M168-P189 WeakPolarHBondContact CE-O 3.3Å; W171-P189 HydrophobicContact CB-CG 3.88Å; W171-P189 VanDerWaalsContact CG-CD 3.49Å; W171-P189 HydrophobicContact CG-CG 4.26Å; P189-G191 PolarHBondContact O-N 3.27Å
190	T	75.8	Confident	65.2	Low	143 Å²	143	110 Å²	110	88%	0.877	64%	0.636	S	S	*	*			trans	-54.9	126.1	-172.8	40	0	0	0	0	112.1	P188	P188-T190 PolarHBondContact O-N 3.25Å
191	G	58.8	Low	62.6	Low	56 Å²	56	113.8 Å²	113.8	58%	0.577	65%	0.648	S	S	*	*			trans	-90	122.7	178.9	0	0	0	0	0	113.7	P189	P189-G191 PolarHBondContact O-N 3.27Å
192	T	44.1	Very low	60.1	Low	109 Å²	109	116.9 Å²	116.9	67%	0.669	67%	0.673	S	S	*	*			trans	75.9	130.2	163.9	77.9	0	0	0	0	115.9
193	Q	41.8	Very low	57.7	Low	154 Å²	154	118.6 Å²	118.6	72%	0.72	67%	0.667	S	S	*	*			cis	-149.1	164	27	-79.5	-74.8	-32.7	0	0	112.7
194	K	44.6	Very low	55.6	Low	192 Å²	192	126.4 Å²	126.4	84%	0.835	69%	0.69	S	S	*	*			trans	-31.3	137.6	-178.3	-59.5	170.7	-179.4	173.6	0	119.9
195	S	34.8	Very low	53.5	Low	127 Å²	127	131.3 Å²	131.3	89%	0.888	71%	0.708	S	S	*	*				179.3	146.9	128.1	-173.6	0	0	0	0	110.4
196	G	39.5	Very low	51.2	Low	65 Å²	65	133.2 Å²	133.2	67%	0.67	73%	0.728	S	S	*	*			trans	-76.9	179.1	-178.1	0	0	0	0	0	115.8
197	S	38.2	Very low	49.6	Very low	115 Å²	115	131.5 Å²	131.5	80%	0.804	72%	0.721	S	S	*	*			trans	74.2	124.4	173.7	-123.2	0	0	0	0	113.7
198	K	37.3	Very low	47.5	Very low	184 Å²	184	136.4 Å²	136.4	80%	0.8	73%	0.734	S	S	*	*			cis	-153.8	122.9	28.9	-66.6	170.6	-179.2	174.8	0	108.9
199	I	41.6	Very low	45.4	Very low	169 Å²	169	137.2 Å²	137.2	87%	0.867	75%	0.753	S	S	*	*			trans	-91	112.5	149.7	-73	175.6	0	0	0	105.5	K201	I199-K201 PolarHBondContact O-N 2.91Å
200	T	38.3	Very low	43.5	Very low	119 Å²	119	146.2 Å²	146.2	73%	0.73	78%	0.783	S	S	*	*			trans	-52.1	100.7	167.5	37.8	0	0	0	0	109.2	V202	T200-V202 PolarHBondContact O-N 3.2Å
201	K	39.1	Very low	41.6	Very low	184 Å²	184	142.8 Å²	142.8	80%	0.8	78%	0.776	S	S	*	*			trans	-66.3	98.9	169.3	-168.3	-179.9	-176.3	-175.5	0	107.1	I199 E203	I199-K201 PolarHBondContact O-N 2.91Å; K201-E203 PolarHBondContact O-N 2.98Å
202	V	41.8	Very low	40.7	Very low	123 Å²	123	150 Å²	150	75%	0.745	79%	0.788	S	S	*	*			trans	-67.6	102.4	168.4	176.7	0	0	0	0	106.8	T200 K204	T200-V202 PolarHBondContact O-N 3.2Å; V202-K204 PolarHBondContact O-N 3.49Å
203	E	38.1	Very low	40.8	Very low	154 Å²	154	152.5 Å²	152.5	72%	0.72	80%	0.797	S	S	*	*			trans	-66.3	110.1	171.3	-71.2	-172.7	135.7	0	0	109.3	K201 K205	K201-E203 PolarHBondContact O-N 2.98Å; E203-K205 PolarHBondContact O-N 2.9Å; E203-K205 VanDerWaalsContact O-N 3.14Å
204	K	44.3	Very low	41.1	Very low	202 Å²	202	150.4 Å²	150.4	88%	0.878	80%	0.799	S	S	*	*			trans	-72.5	100.5	165.3	-74.6	-177.2	176	178.4	0	108.3	V202 S206	V202-K204 PolarHBondContact O-N 3.49Å; K204-S206 PolarHBondContact O-N 3.41Å
205	K	41.6	Very low	41.5	Very low	185 Å²	185	148.8 Å²	148.8	80%	0.804	80%	0.799	S	S	*	*			trans	-68.2	108.6	161.7	-77.4	-176.3	175.5	178.5	0	108.5	E203 I207	E203-K205 PolarHBondContact O-N 2.9Å; E203-K205 VanDerWaalsContact O-N 3.14Å; K205-I207 PolarHBondContact O-N 2.8Å
206	S	41	Very low	42.4	Very low	119 Å²	119	150.2 Å²	150.2	83%	0.832	80%	0.797	S	S	*	*			trans	-72.2	120.5	166.4	-178.8	0	0	0	0	108.8	K204	K204-S206 PolarHBondContact O-N 3.41Å
207	I	49.2	Very low	42.7	Very low	131 Å²	131	158.7 Å²	158.7	67%	0.672	83%	0.827	S	S	*	*			trans	-97.8	124.1	176.2	-75.1	173.4	0	0	0	107.9	K205	K205-I207 PolarHBondContact O-N 2.8Å
208	R	39.1	Very low	42.9	Very low	240 Å²	240	160.9 Å²	160.9	91%	0.906	83%	0.829	S	S	*	*			trans	85.9	120.3	155.5	-75	167.1	179.6	171	-2.3	120.2
209	G	40.8	Very low	43.2	Very low	79 Å²	79	159.7 Å²	159.7	81%	0.814	83%	0.83	S	S	*	*			trans	-178.9	75.8	153.5	0	0	0	0	0	109.6	G211	G209-G211 PolarHBondContact O-N 2.79Å
210	R	43	Very low	43.3	Very low	220 Å²	220	159.2 Å²	159.2	83%	0.83	83%	0.828	S	S	*	*			trans	-73.5	119.5	-178.4	-154.7	178.4	-165.3	171.3	1.2	108.1
211	G	36.9	Very low	43.6	Very low	72 Å²	72	161.5 Å²	161.5	74%	0.742	83%	0.834	S	S	*	*			trans	-69.8	139.2	176.5	0	0	0	0	0	111.9	G209	G209-G211 PolarHBondContact O-N 2.79Å
212	Y	40.8	Very low	43.8	Very low	208 Å²	208	160.1 Å²	160.1	82%	0.816	84%	0.836	S	S	*	*			trans	-117	101	159.5	-44.8	-80.7	0	0	0	104.1
213	D	45.1	Very low	44	Very low	160 Å²	160	162.6 Å²	162.6	86%	0.856	84%	0.842	S	S	*	*			trans	-91	130.8	167.5	-124.2	-27.1	0	0	0	107.1
214	S	47.5	Very low	44.4	Very low	110 Å²	110	163.2 Å²	163.2	77%	0.769	85%	0.851	S	S	*	*			trans	-108.5	105.5	-178.8	-171.1	0	0	0	0	106.2
215	D	54.4	Low	44.4	Very low	158 Å²	158	160.2 Å²	160.2	85%	0.845	85%	0.849	S	S	*	*			trans	-86.5	115.2	171.8	-74.9	-38.4	0	0	0	109.2
216	D	53.3	Low	44.6	Very low	158 Å²	158	158.2 Å²	158.2	85%	0.845	85%	0.852	S	S	*	*			trans	-88	110.1	160.3	-108.7	-41	0	0	0	107.6
217	D	44.8	Very low	45	Very low	243 Å²	243	161.7 Å²	161.7	100%	1.299	85%	0.854	S	S	*	*			trans	-178.1	0	138	-107.2	-25.6	0	0	0	110.8

Retrieved 217 of 217 residues in 126.8 ms (Link to these results)

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