A0A077ZJI9_TRITR Loading...

Catabolite repressor/activator

AlphaFold DB , UniProt , Accession A0A077ZJI9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 442 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	57.6	Low	68.7	Low	189 Å²	189	106.4 Å²	106.4	93%	0.931	57%	0.569	S	S	*	*				0	130.3	0	175.2	174.1	55.3	0	0	107.4	I3	M1-I3 HydrophobicContact CE-CD1 3.65Å; M1-I3 HydrophobicContact CE-CG1 4.05Å; M1-I3 HydrophobicContact CG-CG1 4.13Å; M1-I3 HydrophobicContact SD-CG1 4.32Å
2	T	60.3	Low	69.6	Low	73 Å²	73	102.1 Å²	102.1	45%	0.448	55%	0.545	S	S	.	.			trans	-93.6	118.7	174.8	-53.5	0	0	0	0	108
3	I	63.2	Low	70.5	Confident	82 Å²	82	102 Å²	102	42%	0.421	54%	0.54	S	S	.	.			trans	-107.4	122.3	174.9	-62.2	169	0	0	0	107.2	M1 L19	M1-I3 HydrophobicContact CE-CD1 3.65Å; M1-I3 HydrophobicContact CE-CG1 4.05Å; M1-I3 HydrophobicContact CG-CG1 4.13Å; M1-I3 HydrophobicContact SD-CG1 4.32Å; I3-L19 HydrophobicContact CD1-CD1 3.61Å; I3-L19 HydrophobicContact CD1-CD2 3.32Å; I3-L19 HydrophobicContact CD1-CG 4.08Å
4	Q	61.3	Low	71.6	Confident	104 Å²	104	101.6 Å²	101.6	49%	0.486	53%	0.533	S	S	.	.			trans	-98.7	130.9	171.6	-163.5	-176.9	32	0	0	108.2	E38	Q4-E38 PolarHBondContact NE2-OE1 2.98Å
5	T	65.4	Low	72.4	Confident	60 Å²	60	98 Å²	98	37%	0.368	51%	0.514	S	S	.	.			trans	-142.4	157.1	176	-177	0	0	0	0	109.7	L12 I15	T5-L12 HydrophobicContact CG2-CD2 3.53Å; T5-I15 HydrophobicContact CG2-CD1 3.55Å; T5-I15 WeakPolarHBondContact OG1-CD1 3.44Å
6	V	64.2	Low	73	Confident	145 Å²	145	96.5 Å²	96.5	88%	0.879	50%	0.503	S	S	*	.			trans	-121.2	122.9	172.9	-178.2	0	0	0	0	107.1
7	G	71.3	Confident	73.7	Confident	37 Å²	37	97.1 Å²	97.1	38%	0.381	50%	0.501	S	S	.	.			trans	-171.4	166.4	-178.4	0	0	0	0	0	111.4
8	D	76.2	Confident	74.3	Confident	96 Å²	96	95.9 Å²	95.9	51%	0.513	49%	0.493	S	S	.	.			trans	-72.6	174.4	166.1	67.4	11.3	0	0	0	110.6	K10 V11 L12	D8-K10 PolarHBondContact O-N 3.43Å; D8-K10 VanDerWaalsContact O-N 3.13Å; D8-K10 WeakPolarHBondContact OD1-CB 3.5Å; D8-K10 PolarHBondContact OD1-N 3.05Å; D8-V11 PolarHBondContact O-N 3.22Å; D8-V11 WeakPolarHBondContact OD1-CG2 3.26Å; D8-V11 PolarHBondContact OD1-N 3.03Å; D8-L12 WeakPolarHBondContact O-CG 3.45Å; D8-L12 PolarHBondContact O-N 3.13Å
9	E	75	Confident	74.7	Confident	157 Å²	157	92.7 Å²	92.7	73%	0.734	48%	0.477	S	S	*	.	H	α-helix	trans	-54.1	-34.5	-179	-141.3	168.3	-161.8	0	0	112.3	L12 E13	E9-L12 PolarHBondContact O-N 3.19Å; E9-E13 PolarHBondContact O-N 2.99Å
10	K	80	Confident	75.1	Confident	165 Å²	165	93 Å²	93	72%	0.717	48%	0.476	S	S	*	.	H	α-helix	trans	-69.6	-41	177.8	-66.4	179.9	179.7	175.3	0	112.2	D8 L12 Q14	D8-K10 PolarHBondContact O-N 3.43Å; D8-K10 VanDerWaalsContact O-N 3.13Å; D8-K10 WeakPolarHBondContact OD1-CB 3.5Å; D8-K10 PolarHBondContact OD1-N 3.05Å; K10-L12 VanDerWaalsContact C-N 3.34Å; K10-Q14 VanDerWaalsContact O-CB 3.26Å; K10-Q14 WeakPolarHBondContact O-CB 3.46Å; K10-Q14 PolarHBondContact O-N 3.01Å
11	V	81.5	Confident	75.4	Confident	62 Å²	62	96.1 Å²	96.1	38%	0.376	49%	0.486	S	S	.	.	H	α-helix	trans	-63.9	-42.1	175.6	171	0	0	0	0	110.4	D8 Q14 I15	D8-V11 PolarHBondContact O-N 3.22Å; D8-V11 WeakPolarHBondContact OD1-CG2 3.26Å; D8-V11 PolarHBondContact OD1-N 3.03Å; V11-Q14 PolarHBondContact O-N 2.93Å; V11-I15 HydrophobicContact CG1-CD1 3.79Å; V11-I15 HydrophobicContact CG1-CG1 4.48Å; V11-I15 VanDerWaalsContact O-CG1 3.26Å; V11-I15 WeakPolarHBondContact O-CG1 3.31Å; V11-I15 PolarHBondContact O-N 3.47Å
12	L	79.2	Confident	76.4	Confident	55 Å²	55	93.7 Å²	93.7	29%	0.288	48%	0.476	S	S	.	.	H	α-helix	trans	-63.4	-50.2	178.2	-64.1	179.4	0	0	0	111.9	T5 D8 E9 K10 Q14 I15 E16	T5-L12 HydrophobicContact CG2-CD2 3.53Å; D8-L12 WeakPolarHBondContact O-CG 3.45Å; D8-L12 PolarHBondContact O-N 3.13Å; E9-L12 PolarHBondContact O-N 3.19Å; K10-L12 VanDerWaalsContact C-N 3.34Å; L12-Q14 PolarHBondContact O-N 2.98Å; L12-I15 PolarHBondContact O-N 3.01Å; L12-I15 VanDerWaalsContact O-N 3.14Å; L12-E16 PolarHBondContact O-N 3.14Å
13	E	81.9	Confident	77.2	Confident	101 Å²	101	94 Å²	94	47%	0.472	48%	0.478	S	S	.	.	H	α-helix	trans	-56.7	-40.6	174.6	-80.8	-169.2	-168.3	0	0	112	E9 E16 K17	E9-E13 PolarHBondContact O-N 2.99Å; E13-E16 PolarHBondContact O-N 3.29Å; E13-K17 WeakPolarHBondContact O-CB 3.26Å; E13-K17 VanDerWaalsContact O-CG 3.31Å; E13-K17 WeakPolarHBondContact O-CG 3.34Å; E13-K17 PolarHBondContact O-N 3.32Å; E13-K17 IonicContact OE2-NZ 3.22Å; E13-K17 PolarHBondContact OE2-NZ 3.18Å
14	Q	85.8	Confident	77.9	Confident	96 Å²	96	98.3 Å²	98.3	45%	0.449	50%	0.502	S	S	.	.	H	α-helix	trans	-67.5	-39.6	-179.8	-173.9	64.9	9.8	0	0	111.1	K10 V11 L12 K17 Q18	K10-Q14 VanDerWaalsContact O-CB 3.26Å; K10-Q14 WeakPolarHBondContact O-CB 3.46Å; K10-Q14 PolarHBondContact O-N 3.01Å; V11-Q14 PolarHBondContact O-N 2.93Å; L12-Q14 PolarHBondContact O-N 2.98Å; Q14-K17 PolarHBondContact O-N 3.33Å; Q14-Q18 VanDerWaalsContact NE2-NE2 3.14Å; Q14-Q18 VanDerWaalsContact O-CG 3.27Å; Q14-Q18 WeakPolarHBondContact O-CG 3.27Å; Q14-Q18 PolarHBondContact O-N 3.41Å
15	I	83.1	Confident	78.5	Confident	48 Å²	48	94.7 Å²	94.7	25%	0.246	49%	0.486	C	S	.	.	H	α-helix	trans	-62.5	-47	175.7	-72.4	165.1	0	0	0	110.5	T5 V11 L12 K17 Q18 L19	T5-I15 HydrophobicContact CG2-CD1 3.55Å; T5-I15 WeakPolarHBondContact OG1-CD1 3.44Å; V11-I15 HydrophobicContact CG1-CD1 3.79Å; V11-I15 HydrophobicContact CG1-CG1 4.48Å; V11-I15 VanDerWaalsContact O-CG1 3.26Å; V11-I15 WeakPolarHBondContact O-CG1 3.31Å; V11-I15 PolarHBondContact O-N 3.47Å; L12-I15 PolarHBondContact O-N 3.01Å; L12-I15 VanDerWaalsContact O-N 3.14Å; I15-K17 PolarHBondContact O-N 2.99Å; I15-Q18 PolarHBondContact O-N 3.44Å; I15-L19 HydrophobicContact CG2-CD1 3.84Å; I15-L19 HydrophobicContact CG2-CG 4.38Å; I15-L19 WeakPolarHBondContact O-CG 3.47Å; I15-L19 PolarHBondContact O-N 3.12Å
16	E	82	Confident	78.8	Confident	74 Å²	74	100.5 Å²	100.5	35%	0.346	51%	0.514	S	S	.	.	H	α-helix	trans	-57.5	-47.8	176.3	-179.9	172.3	-160.2	0	0	111.5	L12 E13 Q18 L19 H20 V28	L12-E16 PolarHBondContact O-N 3.14Å; E13-E16 PolarHBondContact O-N 3.29Å; E16-Q18 VanDerWaalsContact C-N 3.3Å; E16-Q18 PolarHBondContact O-N 3.17Å; E16-L19 PolarHBondContact O-N 2.91Å; E16-H20 PolarHBondContact O-CD2 3.11Å; E16-H20 VanDerWaalsContact O-CD2 3.31Å; E16-H20 PolarHBondContact O-N 3.31Å; E16-H20 VanDerWaalsContact O-N 3.12Å; E16-V28 HydrophobicContact CG-CB 4.27Å; E16-V28 HydrophobicContact CG-CG1 4.35Å; E16-V28 HydrophobicContact CG-CG2 3.99Å
17	K	84.7	Confident	79.1	Confident	106 Å²	106	101.6 Å²	101.6	46%	0.461	50%	0.503	S	S	.	.	H	α-helix	trans	-59.5	-37.7	176.4	-76	169.5	-174.1	155.9	0	113	E13 Q14 I15 K21	E13-K17 WeakPolarHBondContact O-CB 3.26Å; E13-K17 VanDerWaalsContact O-CG 3.31Å; E13-K17 WeakPolarHBondContact O-CG 3.34Å; E13-K17 PolarHBondContact O-N 3.32Å; E13-K17 IonicContact OE2-NZ 3.22Å; E13-K17 PolarHBondContact OE2-NZ 3.18Å; Q14-K17 PolarHBondContact O-N 3.33Å; I15-K17 PolarHBondContact O-N 2.99Å; K17-K21 WeakPolarHBondContact O-CG 3.46Å
18	Q	85.2	Confident	78.9	Confident	76 Å²	76	102.5 Å²	102.5	36%	0.355	50%	0.501	S	S	.	.	H	α-helix	trans	-74.9	-34.7	177.4	-65.4	-59.6	-24.8	0	0	111.9	Q14 I15 E16 K21 L22	Q14-Q18 VanDerWaalsContact NE2-NE2 3.14Å; Q14-Q18 VanDerWaalsContact O-CG 3.27Å; Q14-Q18 WeakPolarHBondContact O-CG 3.27Å; Q14-Q18 PolarHBondContact O-N 3.41Å; I15-Q18 PolarHBondContact O-N 3.44Å; E16-Q18 VanDerWaalsContact C-N 3.3Å; E16-Q18 PolarHBondContact O-N 3.17Å; Q18-K21 WeakPolarHBondContact O-CB 3.2Å; Q18-K21 PolarHBondContact O-N 3.1Å; Q18-K21 VanDerWaalsContact O-N 3.1Å; Q18-L22 WeakPolarHBondContact O-CG 3.35Å; Q18-L22 PolarHBondContact O-N 2.88Å
19	L	81.6	Confident	78.3	Confident	35 Å²	35	101.2 Å²	101.2	18%	0.183	50%	0.499	C	S	.	.	H	α-helix	trans	-61.8	-45.7	176.6	-76.6	166.3	0	0	0	111.9	I3 I15 E16 K21 L22 V23 V25	I3-L19 HydrophobicContact CD1-CD1 3.61Å; I3-L19 HydrophobicContact CD1-CD2 3.32Å; I3-L19 HydrophobicContact CD1-CG 4.08Å; I15-L19 HydrophobicContact CG2-CD1 3.84Å; I15-L19 HydrophobicContact CG2-CG 4.38Å; I15-L19 WeakPolarHBondContact O-CG 3.47Å; I15-L19 PolarHBondContact O-N 3.12Å; E16-L19 PolarHBondContact O-N 2.91Å; L19-K21 PolarHBondContact O-N 3.09Å; L19-K21 VanDerWaalsContact O-N 3.11Å; L19-L22 PolarHBondContact O-N 3.18Å; L19-L22 VanDerWaalsContact O-N 3.13Å; L19-V23 PolarHBondContact O-N 3.13Å; L19-V25 HydrophobicContact CB-CG2 4.13Å; L19-V25 WeakPolarHBondContact O-CG2 3.43Å
20	H	81.7	Confident	77.5	Confident	99 Å²	99	100 Å²	100	46%	0.458	49%	0.493	S	S	.	.	H	α-helix	trans	-59	-20.9	174.8	-82.2	-69.4	0	0	0	114	E16	E16-H20 PolarHBondContact O-CD2 3.11Å; E16-H20 VanDerWaalsContact O-CD2 3.31Å; E16-H20 PolarHBondContact O-N 3.31Å; E16-H20 VanDerWaalsContact O-N 3.12Å
21	K	82.7	Confident	76.3	Confident	158 Å²	158	96.2 Å²	96.2	69%	0.687	48%	0.48	S	S	*	.	H	α-helix	trans	-89.1	-28.7	177.6	-68.6	176	-178.2	-179.3	0	113.5	K17 Q18 L19	K17-K21 WeakPolarHBondContact O-CG 3.46Å; Q18-K21 WeakPolarHBondContact O-CB 3.2Å; Q18-K21 PolarHBondContact O-N 3.1Å; Q18-K21 VanDerWaalsContact O-N 3.1Å; L19-K21 PolarHBondContact O-N 3.09Å; L19-K21 VanDerWaalsContact O-N 3.11Å
22	L	78.8	Confident	74.7	Confident	139 Å²	139	95.6 Å²	95.6	73%	0.728	49%	0.487	S	S	*	.	H	α-helix	trans	-92.5	-31.9	-171.3	-70.6	171.6	0	0	0	112.8	Q18 L19	Q18-L22 WeakPolarHBondContact O-CG 3.35Å; Q18-L22 PolarHBondContact O-N 2.88Å; L19-L22 PolarHBondContact O-N 3.18Å; L19-L22 VanDerWaalsContact O-N 3.13Å
23	V	77.5	Confident	73	Confident	80 Å²	80	101.8 Å²	101.8	49%	0.485	51%	0.514	S	S	.	.	S	Bend	trans	-143	158.8	-177.5	-66.6	0	0	0	0	110.1	L19 V25	L19-V23 PolarHBondContact O-N 3.13Å; V23-V25 HydrophobicContact CG2-CG2 3.82Å; V23-V25 PolarHBondContact O-N 3.2Å; V23-V25 VanDerWaalsContact O-N 3.09Å
24	D	77.3	Confident	71	Confident	172 Å²	172	98.7 Å²	98.7	92%	0.92	51%	0.51	S	S	*	.			trans	-72.9	103.3	174	-157	1.6	0	0	0	109.3
25	V	73.2	Confident	68.7	Low	28 Å²	28	99.4 Å²	99.4	17%	0.17	53%	0.532	C	S	.	.			trans	-95.4	109.6	-174.1	177.1	0	0	0	0	109.3	L19 V23 V28	L19-V25 HydrophobicContact CB-CG2 4.13Å; L19-V25 WeakPolarHBondContact O-CG2 3.43Å; V23-V25 HydrophobicContact CG2-CG2 3.82Å; V23-V25 PolarHBondContact O-N 3.2Å; V23-V25 VanDerWaalsContact O-N 3.09Å; V25-V28 HydrophobicContact CG1-CG2 3.53Å
26	L	72.5	Confident	67	Low	182 Å²	182	101.8 Å²	101.8	95%	0.953	54%	0.542	S	S	*	.	S	Bend	trans	-67.7	-38.9	177.8	-160.2	105.6	0	0	0	112.7
27	R	70.5	Confident	65.3	Low	168 Å²	168	101.8 Å²	101.8	63%	0.634	55%	0.547	S	S	*	.			trans	-168.6	142.5	179.7	-175.4	175.9	176.9	-160.6	-2.4	110.1	E152	R27-E152 IonicContact CZ-OE1 3.86Å; R27-E152 IonicContact NH1-OE1 3.05Å; R27-E152 PolarHBondContact NH1-OE1 3.22Å; R27-E152 IonicContact NH2-OE1 3.96Å
28	V	67.1	Low	64	Low	56 Å²	56	98.7 Å²	98.7	34%	0.339	53%	0.534	S	S	.	.			trans	-105.8	132.8	165.9	-176.8	0	0	0	0	108.8	E16 V25	E16-V28 HydrophobicContact CG-CB 4.27Å; E16-V28 HydrophobicContact CG-CG1 4.35Å; E16-V28 HydrophobicContact CG-CG2 3.99Å; V25-V28 HydrophobicContact CG1-CG2 3.53Å
29	S	62.3	Low	63	Low	69 Å²	69	102.3 Å²	102.3	48%	0.483	54%	0.544	S	S	.	.			trans	-127.9	121.3	177.4	-65	0	0	0	0	108.8	L31	S29-L31 PolarHBondContact O-N 3.24Å
30	E	59.1	Low	62.5	Low	130 Å²	130	100.8 Å²	100.8	61%	0.607	54%	0.536	S	S	*	.			trans	-74.7	123.4	174	-69.9	-171	171.9	0	0	111.2
31	L	54.2	Low	62.6	Low	86 Å²	86	99.5 Å²	99.5	45%	0.45	53%	0.532	S	S	.	.			trans	-110.6	97.6	173	-59.6	172.7	0	0	0	107	S29	S29-L31 PolarHBondContact O-N 3.24Å
32	G	47.6	Very low	63	Low	50 Å²	50	92 Å²	92	52%	0.515	50%	0.499	S	S	.	.			trans	-179.2	-19.2	-178.5	0	0	0	0	0	123.1	G34	G32-G34 PolarHBondContact O-N 2.83Å
33	Q	43.8	Very low	63.6	Low	184 Å²	184	89.2 Å²	89.2	86%	0.86	49%	0.485	S	S	*	.	S	Bend	trans	-79.3	27.9	-169.8	-64.7	-164.8	-2.2	0	0	116.4
34	G	41.2	Very low	64.5	Low	37 Å²	37	85.4 Å²	85.4	38%	0.381	46%	0.462	S	S	.	.	S	Bend	trans	-166	169.8	177.1	0	0	0	0	0	115.5	G32 H36	G32-G34 PolarHBondContact O-N 2.83Å; G34-H36 PolarHBondContact O-N 3.16Å; G34-H36 PolarHBondContact O-ND1 3.19Å; G34-H36 VanDerWaalsContact O-ND1 3.14Å
35	A	36.2	Very low	65.4	Low	110 Å²	110	80.9 Å²	80.9	91%	0.909	43%	0.434	S	S	*	.			trans	-60.5	128.5	178.9	0	0	0	0	0	111.6
36	H	47.1	Very low	66.6	Low	99 Å²	99	79.6 Å²	79.6	46%	0.458	43%	0.426	S	S	.	.			trans	-137.8	168.6	-174.5	57.6	-99.6	0	0	0	110.3	G34 E38	G34-H36 PolarHBondContact O-N 3.16Å; G34-H36 PolarHBondContact O-ND1 3.19Å; G34-H36 VanDerWaalsContact O-ND1 3.14Å; H36-E38 WeakPolarHBondContact CD2-CG 3.11Å; H36-E38 IonicContact CD2-OE1 3.6Å; H36-E38 IonicContact CE1-OE1 3.01Å; H36-E38 IonicContact NE2-OE1 3.7Å; H36-E38 PolarHBondContact NE2-OE1 2.78Å; H36-E38 IonicContact NE2-OE2 2.92Å
37	V	46.2	Very low	67.8	Low	73 Å²	73	74.9 Å²	74.9	44%	0.442	40%	0.399	S	S	.	.			trans	-121.7	100.1	168	-166.9	0	0	0	0	109.1	K110	V37-K110 HydrophobicContact CB-CD 4.01Å; V37-K110 HydrophobicContact CG1-CD 4.49Å; V37-K110 VanDerWaalsContact O-CD 3.3Å; V37-K110 WeakPolarHBondContact O-CD 3.47Å; V37-K110 WeakPolarHBondContact O-CE 2.96Å; V37-K110 PolarHBondContact O-NZ 3.45Å
38	E	58.1	Low	68.9	Low	41 Å²	41	67.1 Å²	67.1	19%	0.192	37%	0.371	C	S	.	.			trans	-70.6	140.5	178.5	-80.6	162.3	175.2	0	0	111.6	Q4 H36 T82 S83 A107	Q4-E38 PolarHBondContact NE2-OE1 2.98Å; H36-E38 WeakPolarHBondContact CD2-CG 3.11Å; H36-E38 IonicContact CD2-OE1 3.6Å; H36-E38 IonicContact CE1-OE1 3.01Å; H36-E38 IonicContact NE2-OE1 3.7Å; H36-E38 PolarHBondContact NE2-OE1 2.78Å; H36-E38 IonicContact NE2-OE2 2.92Å; E38-T82 WeakPolarHBondContact O-CG2 3.42Å; E38-S83 VanDerWaalsContact OE2-CB 3.3Å; E38-S83 WeakPolarHBondContact OE2-CB 3.48Å; E38-S83 PolarHBondContact OE2-OG 3.47Å; E38-A107 HydrophobicContact CG-CB 3.84Å
39	R	63.2	Low	70.2	Confident	153 Å²	153	69.2 Å²	69.2	58%	0.577	39%	0.388	S	S	*	.			trans	-137.4	121.6	161	-162.3	167.7	-177.7	146.3	-3.5	108	G81 I108	R39-G81 CarbonylContact C-O 3.43Å; R39-G81 VanDerWaalsContact CA-O 3.32Å; R39-G81 WeakPolarHBondContact CA-O 3.42Å; R39-I108 PolarHBondContact O-N 3.26Å
40	E	72.1	Confident	71.6	Confident	3 Å²	3	68.7 Å²	68.7	1%	0.014	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	155.9	-178.8	-57.2	-170.7	176.9	0	0	109.3	A80 G81 S83 L86	E40-A80 VanDerWaalsContact O-CA 3.25Å; E40-A80 WeakPolarHBondContact O-CA 3.38Å; E40-G81 PolarHBondContact N-O 2.99Å; E40-G81 PolarHBondContact O-N 3.36Å; E40-S83 PolarHBondContact OE1-OG 3.19Å; E40-S83 VanDerWaalsContact OE1-OG 3.07Å; E40-L86 HydrophobicContact CB-CD1 3.61Å
41	I	83.9	Confident	73.1	Confident	72 Å²	72	69.9 Å²	69.9	37%	0.369	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.6	166	-59.9	175.3	0	0	0	107.2	Q78 L79 A80 R104 S105	I41-Q78 HydrophobicContact CG2-CG 4.01Å; I41-L79 CarbonylContact C-O 3.56Å; I41-L79 WeakPolarHBondContact CA-O 3.44Å; I41-A80 HydrophobicContact CG1-CB 4.32Å; I41-R104 CarbonylContact O-C 3.49Å; I41-R104 WeakPolarHBondContact O-CA 3.48Å; I41-S105 PolarHBondContact N-OG 3.06Å; I41-S105 PolarHBondContact O-N 3.3Å
42	M	90	Very high	75	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.7	173.3	-179	173.7	72	0	0	109.6	V44 Q78 L79 L86 F89 L90 V102 A103 R104	M42-V44 HydrophobicContact CE-CG1 4.12Å; M42-V44 HydrophobicContact CG-CB 4.46Å; M42-Q78 CarbonylContact O-C 3.55Å; M42-Q78 WeakPolarHBondContact O-CA 3.44Å; M42-L79 HydrophobicContact CE-CD1 3.86Å; M42-L79 PolarHBondContact N-O 2.86Å; M42-L79 PolarHBondContact O-N 2.78Å; M42-L86 HydrophobicContact CB-CD1 3.96Å; M42-L86 HydrophobicContact CB-CD2 4.05Å; M42-L86 HydrophobicContact CB-CG 4.45Å; M42-L86 HydrophobicContact CE-CB 4.1Å; M42-L86 HydrophobicContact CE-CD2 4.24Å; M42-L86 HydrophobicContact SD-CB 4.17Å; M42-F89 HydrophobicContact CE-CD1 3.79Å; M42-F89 HydrophobicContact CE-CE1 4.46Å; M42-L90 HydrophobicContact CE-CD1 4.44Å; M42-L90 HydrophobicContact CE-CD2 3.77Å; M42-L90 HydrophobicContact CE-CG 3.89Å; M42-L90 HydrophobicContact SD-CD1 3.83Å; M42-L90 HydrophobicContact SD-CD2 3.98Å; M42-L90 HydrophobicContact SD-CG 3.95Å; M42-V102 HydrophobicContact CG-CG1 3.79Å; M42-V102 HydrophobicContact SD-CG1 3.72Å; M42-A103 CarbonylContact C-O 3.41Å; M42-A103 VanDerWaalsContact CA-O 3.3Å; M42-A103 WeakPolarHBondContact CA-O 3.37Å; M42-R104 HydrophobicContact CB-CG 4.23Å; M42-R104 HydrophobicContact CG-CG 4.1Å
43	L	92.9	Very high	77.2	Confident	80 Å²	80	65.9 Å²	65.9	42%	0.419	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.3	161.8	-159.1	86.6	0	0	0	107.5	I68 T76 V77 Q78 V102 A103	L43-I68 HydrophobicContact CD1-CG1 4.46Å; L43-T76 HydrophobicContact CD1-CG2 4.02Å; L43-T76 HydrophobicContact CD2-CG2 3.97Å; L43-T76 HydrophobicContact CG-CG2 3.91Å; L43-V77 CarbonylContact C-O 3.54Å; L43-V77 WeakPolarHBondContact CA-O 3.31Å; L43-Q78 HydrophobicContact CD1-CB 4.17Å; L43-V102 WeakPolarHBondContact O-CA 3.42Å; L43-A103 HydrophobicContact CB-CB 4.48Å; L43-A103 PolarHBondContact N-O 3.16Å; L43-A103 PolarHBondContact O-N 3.5Å
44	V	96.2	Very high	79.6	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.8	178.9	55.5	0	0	0	0	110.6	M42 I46 V77 L79 F89 L90 I99 E101 V102	M42-V44 HydrophobicContact CE-CG1 4.12Å; M42-V44 HydrophobicContact CG-CB 4.46Å; V44-I46 HydrophobicContact CG1-CD1 4.13Å; V44-I46 HydrophobicContact CG1-CG1 4.3Å; V44-I46 HydrophobicContact CG2-CD1 4.42Å; V44-I46 HydrophobicContact CG2-CG1 3.78Å; V44-V77 HydrophobicContact CG1-CB 4.02Å; V44-V77 PolarHBondContact N-O 3.35Å; V44-V77 PolarHBondContact O-N 2.92Å; V44-L79 HydrophobicContact CG1-CD1 4.11Å; V44-F89 HydrophobicContact CG1-CD1 4.49Å; V44-F89 HydrophobicContact CG1-CE1 3.77Å; V44-L90 HydrophobicContact CB-CD2 4.33Å; V44-L90 HydrophobicContact CG1-CD2 4.5Å; V44-L90 HydrophobicContact CG2-CD2 3.82Å; V44-I99 HydrophobicContact CG2-CG2 4.01Å; V44-E101 CarbonylContact C-O 3.59Å; V44-E101 WeakPolarHBondContact CA-O 3.43Å; V44-E101 WeakPolarHBondContact CG2-O 3.4Å; V44-V102 HydrophobicContact CB-CG2 4.32Å; V44-V102 HydrophobicContact CG2-CG2 3.82Å
45	K	97	Very high	82.2	Confident	78 Å²	78	61.7 Å²	61.7	34%	0.339	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.6	173.1	-168.4	173.8	-174.3	172.9	0	108.8	L74 Y75 V100 E101	K45-L74 HydrophobicContact CD-CD2 4.47Å; K45-L74 HydrophobicContact CG-CD2 4.05Å; K45-Y75 CarbonylContact C-O 3.55Å; K45-Y75 WeakPolarHBondContact CA-O 3.4Å; K45-V100 HydrophobicContact CB-CB 4.22Å; K45-V100 HydrophobicContact CD-CB 4.45Å; K45-V100 HydrophobicContact CD-CG1 4.23Å; K45-V100 HydrophobicContact CG-CB 4.17Å; K45-V100 HydrophobicContact CG-CG1 4.48Å; K45-V100 WeakPolarHBondContact O-CB 3.23Å; K45-V100 PolarHBondContact O-N 2.97Å; K45-E101 HydrophobicContact CB-CB 4.06Å; K45-E101 PolarHBondContact N-O 2.86Å; K45-E101 PolarHBondContact O-N 3.44Å
46	I	97.7	Very high	85	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	123.9	-170.6	-53.7	165.6	0	0	0	108.3	V44 V56 L74 Y75 V77 F89 I93 A97 K98	V44-I46 HydrophobicContact CG1-CD1 4.13Å; V44-I46 HydrophobicContact CG1-CG1 4.3Å; V44-I46 HydrophobicContact CG2-CD1 4.42Å; V44-I46 HydrophobicContact CG2-CG1 3.78Å; I46-V56 HydrophobicContact CD1-CG1 3.77Å; I46-V56 HydrophobicContact CG2-CG1 4.35Å; I46-V56 HydrophobicContact CG2-CG2 3.71Å; I46-L74 CarbonylContact O-C 3.57Å; I46-L74 VanDerWaalsContact O-CA 3.25Å; I46-L74 WeakPolarHBondContact O-CA 3.43Å; I46-Y75 PolarHBondContact N-O 3.32Å; I46-Y75 PolarHBondContact O-N 3.35Å; I46-V77 HydrophobicContact CD1-CB 4.35Å; I46-V77 HydrophobicContact CD1-CG2 3.79Å; I46-F89 HydrophobicContact CD1-CE1 4.07Å; I46-F89 HydrophobicContact CD1-CZ 4Å; I46-I93 HydrophobicContact CD1-CD1 3.43Å; I46-I93 VanDerWaalsContact CD1-CD1 3.43Å; I46-I93 HydrophobicContact CG1-CD1 3.81Å; I46-I93 HydrophobicContact CG2-CD1 4.24Å; I46-A97 HydrophobicContact CG2-CB 3.45Å; I46-A97 VanDerWaalsContact CG2-CB 3.45Å; I46-K98 CarbonylContact C-O 3.56Å
47	Q	96.8	Very high	87.3	Confident	84 Å²	84	56.6 Å²	56.6	39%	0.393	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	122.3	171.9	-175.2	176.7	27	0	0	109.7	S73 L74 K98 V100	Q47-S73 CarbonylContact C-O 3.6Å; Q47-S73 VanDerWaalsContact CA-O 3.23Å; Q47-S73 WeakPolarHBondContact CA-O 3.4Å; Q47-S73 WeakPolarHBondContact CG-O 3.45Å; Q47-L74 HydrophobicContact CB-CD2 3.8Å; Q47-L74 HydrophobicContact CG-CD2 4.32Å; Q47-K98 HydrophobicContact CB-CB 4.3Å; Q47-K98 PolarHBondContact N-O 2.67Å; Q47-K98 PolarHBondContact O-N 2.89Å; Q47-V100 HydrophobicContact CB-CG2 3.6Å
48	A	94.9	Very high	89.6	Confident	5 Å²	5	60.1 Å²	60.1	4%	0.041	29%	0.294	C	S	.	.			trans	-143.6	147.1	-177.7	0	0	0	0	0	111.4	R53 V56 S73 A97	A48-R53 HydrophobicContact CB-CG 3.92Å; A48-R53 WeakPolarHBondContact O-CG 3.36Å; A48-V56 HydrophobicContact CB-CG2 4.1Å; A48-S73 PolarHBondContact N-O 3.39Å; A48-A97 HydrophobicContact CB-CB 3.86Å
49	S	92.8	Very high	91.4	Very high	100 Å²	100	58.9 Å²	58.9	70%	0.699	29%	0.289	S	S	*	.			trans	-133.8	153	176.3	58.6	0	0	0	0	110.5	Y51 G52	S49-Y51 PolarHBondContact O-N 2.9Å; S49-G52 PolarHBondContact O-N 2.91Å
50	G	92	Very high	92.9	Very high	57 Å²	57	51.8 Å²	51.8	59%	0.588	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	-130.1	178.4	0	0	0	0	0	112.9	G52 R53	G50-G52 PolarHBondContact O-N 2.92Å; G50-G52 VanDerWaalsContact O-N 3.15Å; G50-R53 WeakPolarHBondContact O-CB 3.48Å; G50-R53 PolarHBondContact O-N 3.48Å
51	Y	91.2	Very high	93.7	Very high	156 Å²	156	57.6 Å²	57.6	61%	0.612	29%	0.289	S	S	*	.	H	α-helix	trans	-51.4	-35.5	178.5	177	-108.3	0	0	0	113.8	S49 R53 D54 E55 V96	S49-Y51 PolarHBondContact O-N 2.9Å; Y51-R53 PolarHBondContact O-N 3.47Å; Y51-D54 PolarHBondContact O-N 2.93Å; Y51-E55 HydrophobicContact CD1-CG 4.17Å; Y51-E55 HydrophobicContact CE1-CG 3.54Å; Y51-E55 HydrophobicContact CE2-CG 4.04Å; Y51-E55 VanDerWaalsContact CZ-CG 3.44Å; Y51-E55 PolarHBondContact O-N 3.38Å; Y51-E55 WeakPolarHBondContact OH-CG 3.48Å; Y51-E55 PolarHBondContact OH-OE1 2.88Å; Y51-V96 HydrophobicContact CE1-CG1 4.48Å
52	G	93.5	Very high	94	Very high	6 Å²	6	59.3 Å²	59.3	6%	0.062	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-26.7	178.6	0	0	0	0	0	113.3	S49 G50 V56 V96	S49-G52 PolarHBondContact O-N 2.91Å; G50-G52 PolarHBondContact O-N 2.92Å; G50-G52 VanDerWaalsContact O-N 3.15Å; G52-V56 VanDerWaalsContact O-CG2 3.26Å; G52-V56 WeakPolarHBondContact O-CG2 3.33Å; G52-V56 PolarHBondContact O-N 3.18Å; G52-V96 WeakPolarHBondContact CA-O 3.42Å
53	R	94.9	Very high	94.1	Very high	45 Å²	45	61 Å²	61	17%	0.17	31%	0.305	C	S	.	.	H	α-helix	trans	-69.2	-39.5	177.9	-69.1	-171.4	63.8	91.8	2.9	112.5	A48 G50 Y51 K57 T71 P72 Y75	A48-R53 HydrophobicContact CB-CG 3.92Å; A48-R53 WeakPolarHBondContact O-CG 3.36Å; G50-R53 WeakPolarHBondContact O-CB 3.48Å; G50-R53 PolarHBondContact O-N 3.48Å; Y51-R53 PolarHBondContact O-N 3.47Å; R53-K57 PolarHBondContact O-N 3.06Å; R53-T71 PolarHBondContact NH1-O 3.25Å; R53-T71 PolarHBondContact NH2-O 3.32Å; R53-T71 VanDerWaalsContact NH2-O 3.09Å; R53-P72 PolarHBondContact NH1-O 2.93Å; R53-Y75 HydrophobicContact CB-CE2 3.87Å; R53-Y75 HydrophobicContact CG-CE2 4.03Å; R53-Y75 VanDerWaalsContact NH2-CZ 3.28Å; R53-Y75 PolarHBondContact NH2-OH 3.05Å
54	D	93.8	Very high	93.9	Very high	106 Å²	106	67.6 Å²	67.6	57%	0.567	33%	0.325	S	S	*	.	H	α-helix	trans	-70.5	-39.3	178.6	-66.7	-35.1	0	0	0	110.4	Y51 V56 K57 R58	Y51-D54 PolarHBondContact O-N 2.93Å; D54-V56 PolarHBondContact O-N 3.3Å; D54-K57 PolarHBondContact O-N 3.45Å; D54-R58 WeakPolarHBondContact O-CB 3.29Å; D54-R58 PolarHBondContact O-N 3.44Å
55	E	95	Very high	93.6	Very high	28 Å²	28	68.5 Å²	68.5	13%	0.131	33%	0.334	C	S	.	.	H	α-helix	trans	-65	-37.8	175.5	-73.4	-59.2	139.7	0	0	112.8	Y51 R58 N59 V96	Y51-E55 HydrophobicContact CD1-CG 4.17Å; Y51-E55 HydrophobicContact CE1-CG 3.54Å; Y51-E55 HydrophobicContact CE2-CG 4.04Å; Y51-E55 VanDerWaalsContact CZ-CG 3.44Å; Y51-E55 PolarHBondContact O-N 3.38Å; Y51-E55 WeakPolarHBondContact OH-CG 3.48Å; Y51-E55 PolarHBondContact OH-OE1 2.88Å; E55-R58 PolarHBondContact O-N 3.41Å; E55-R58 IonicContact OE1-NH1 3.27Å; E55-N59 VanDerWaalsContact O-CB 3.31Å; E55-N59 WeakPolarHBondContact O-CB 3.47Å; E55-N59 PolarHBondContact O-N 2.9Å; E55-N59 PolarHBondContact O-ND2 3.46Å; E55-V96 HydrophobicContact CB-CB 4.23Å; E55-V96 HydrophobicContact CB-CG1 4.44Å; E55-V96 HydrophobicContact CB-CG2 3.77Å; E55-V96 HydrophobicContact CG-CG1 4.36Å
56	V	96.4	Very high	93.3	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.1	-43.9	173.9	170	0	0	0	0	111.3	I46 A48 G52 D54 T60 Y75 V77 A97	I46-V56 HydrophobicContact CD1-CG1 3.77Å; I46-V56 HydrophobicContact CG2-CG1 4.35Å; I46-V56 HydrophobicContact CG2-CG2 3.71Å; A48-V56 HydrophobicContact CB-CG2 4.1Å; G52-V56 VanDerWaalsContact O-CG2 3.26Å; G52-V56 WeakPolarHBondContact O-CG2 3.33Å; G52-V56 PolarHBondContact O-N 3.18Å; D54-V56 PolarHBondContact O-N 3.3Å; V56-T60 WeakPolarHBondContact O-CB 3.39Å; V56-T60 PolarHBondContact O-N 3.23Å; V56-T60 PolarHBondContact O-OG1 2.82Å; V56-Y75 HydrophobicContact CB-CD2 4.09Å; V56-Y75 HydrophobicContact CB-CE2 4.31Å; V56-Y75 HydrophobicContact CG1-CD2 3.65Å; V56-Y75 HydrophobicContact CG1-CE2 4.26Å; V56-Y75 HydrophobicContact CG1-CG 3.97Å; V56-V77 HydrophobicContact CG1-CG2 4.49Å; V56-A97 HydrophobicContact CG2-CB 3.6Å
57	K	94.6	Very high	93.2	Very high	102 Å²	102	73.4 Å²	73.4	44%	0.443	36%	0.36	S	S	.	.	H	α-helix	trans	-62.6	-48.1	177.2	-176.8	-179.4	174.8	-172.8	0	111.2	R53 D54 N59 T60 E61 I67	R53-K57 PolarHBondContact O-N 3.06Å; D54-K57 PolarHBondContact O-N 3.45Å; K57-N59 PolarHBondContact O-N 2.85Å; K57-T60 WeakPolarHBondContact O-CB 3.34Å; K57-T60 PolarHBondContact O-N 3.38Å; K57-T60 VanDerWaalsContact O-N 3.16Å; K57-E61 VanDerWaalsContact CE-OE1 3.25Å; K57-E61 WeakPolarHBondContact CE-OE1 3.38Å; K57-E61 PolarHBondContact O-N 3.12Å; K57-I67 HydrophobicContact CB-CD1 4.36Å; K57-I67 HydrophobicContact CG-CD1 4.12Å
58	R	94.6	Very high	92.9	Very high	147 Å²	147	73.3 Å²	73.3	56%	0.555	36%	0.361	S	S	*	.	H	α-helix	trans	-60.2	-46.5	178.5	-172.6	-177.6	-176.8	-174.5	2	112.2	D54 E55 T60 E61 I62	D54-R58 WeakPolarHBondContact O-CB 3.29Å; D54-R58 PolarHBondContact O-N 3.44Å; E55-R58 PolarHBondContact O-N 3.41Å; E55-R58 IonicContact OE1-NH1 3.27Å; R58-T60 VanDerWaalsContact C-N 3.31Å; R58-T60 PolarHBondContact O-N 3.37Å; R58-E61 PolarHBondContact O-N 3.15Å; R58-I62 HydrophobicContact CG-CD1 3.97Å; R58-I62 VanDerWaalsContact O-CG1 3.27Å; R58-I62 WeakPolarHBondContact O-CG1 3.32Å; R58-I62 PolarHBondContact O-N 2.97Å
59	N	95.7	Very high	92.8	Very high	15 Å²	15	77.3 Å²	77.3	8%	0.08	38%	0.382	C	S	.	.	H	α-helix	trans	-63.1	-39.7	175.7	-84.1	-84	0	0	0	111.3	E55 K57 E61 I62 F63 F89 S92 I93	E55-N59 VanDerWaalsContact O-CB 3.31Å; E55-N59 WeakPolarHBondContact O-CB 3.47Å; E55-N59 PolarHBondContact O-N 2.9Å; E55-N59 PolarHBondContact O-ND2 3.46Å; K57-N59 PolarHBondContact O-N 2.85Å; N59-E61 VanDerWaalsContact C-N 3.32Å; N59-E61 PolarHBondContact O-N 3.29Å; N59-I62 PolarHBondContact O-N 3.01Å; N59-F63 WeakPolarHBondContact O-CB 3.41Å; N59-F63 VanDerWaalsContact O-CD2 3.29Å; N59-F63 WeakPolarHBondContact O-CD2 3.4Å; N59-F63 PolarHBondContact O-N 3.49Å; N59-F89 HydrophobicContact CB-CD2 4.41Å; N59-F89 HydrophobicContact CB-CE2 4.04Å; N59-S92 WeakPolarHBondContact OD1-CB 3.3Å; N59-S92 PolarHBondContact OD1-OG 3.28Å; N59-I93 HydrophobicContact CB-CG2 3.71Å
60	T	95.3	Very high	92.9	Very high	3 Å²	3	76.2 Å²	76.2	2%	0.018	37%	0.371	C	S	.	.	H	α-helix	trans	-59.5	-45.4	176.4	-59.3	0	0	0	0	110.8	V56 K57 R58 R64 G65 I67 V77	V56-T60 WeakPolarHBondContact O-CB 3.39Å; V56-T60 PolarHBondContact O-N 3.23Å; V56-T60 PolarHBondContact O-OG1 2.82Å; K57-T60 WeakPolarHBondContact O-CB 3.34Å; K57-T60 PolarHBondContact O-N 3.38Å; K57-T60 VanDerWaalsContact O-N 3.16Å; R58-T60 VanDerWaalsContact C-N 3.31Å; R58-T60 PolarHBondContact O-N 3.37Å; T60-R64 PolarHBondContact O-N 3.01Å; T60-R64 VanDerWaalsContact O-N 3.14Å; T60-G65 VanDerWaalsContact CG2-C 3.48Å; T60-G65 PolarHBondContact O-N 3.41Å; T60-I67 HydrophobicContact CG2-CG1 3.86Å; T60-V77 HydrophobicContact CG2-CG1 3.48Å; T60-V77 VanDerWaalsContact CG2-CG1 3.48Å
61	E	89.3	Confident	92.9	Very high	125 Å²	125	75.7 Å²	75.7	58%	0.584	36%	0.356	S	S	*	.	H	α-helix	trans	-63.3	-47.1	175.8	-69.9	170.9	-171.4	0	0	112.3	K57 R58 N59 F63 R64	K57-E61 VanDerWaalsContact CE-OE1 3.25Å; K57-E61 WeakPolarHBondContact CE-OE1 3.38Å; K57-E61 PolarHBondContact O-N 3.12Å; R58-E61 PolarHBondContact O-N 3.15Å; N59-E61 VanDerWaalsContact C-N 3.32Å; N59-E61 PolarHBondContact O-N 3.29Å; E61-F63 VanDerWaalsContact C-N 3.33Å; E61-F63 PolarHBondContact O-N 2.84Å; E61-R64 PolarHBondContact O-N 3.39Å
62	I	90.1	Very high	92.9	Very high	108 Å²	108	74.2 Å²	74.2	55%	0.554	37%	0.366	S	S	*	.	H	α-helix	trans	-57	-46.4	178.5	-71.7	166.4	0	0	0	111.2	R58 N59 R64	R58-I62 HydrophobicContact CG-CD1 3.97Å; R58-I62 VanDerWaalsContact O-CG1 3.27Å; R58-I62 WeakPolarHBondContact O-CG1 3.32Å; R58-I62 PolarHBondContact O-N 2.97Å; N59-I62 PolarHBondContact O-N 3.01Å; I62-R64 PolarHBondContact O-N 2.95Å
63	F	91.8	Very high	92.9	Very high	36 Å²	36	76.4 Å²	76.4	16%	0.158	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	4.5	179.8	-76.3	-97.5	0	0	0	113.1	N59 E61 G65 L79 K85 A88 F89	N59-F63 WeakPolarHBondContact O-CB 3.41Å; N59-F63 VanDerWaalsContact O-CD2 3.29Å; N59-F63 WeakPolarHBondContact O-CD2 3.4Å; N59-F63 PolarHBondContact O-N 3.49Å; E61-F63 VanDerWaalsContact C-N 3.33Å; E61-F63 PolarHBondContact O-N 2.84Å; F63-G65 PolarHBondContact O-N 3.21Å; F63-L79 HydrophobicContact CB-CD2 3.59Å; F63-L79 HydrophobicContact CG-CD2 4.49Å; F63-K85 HydrophobicContact CD1-CG 3.99Å; F63-K85 HydrophobicContact CE1-CG 4.45Å; F63-K85 WeakPolarHBondContact CE1-O 3.27Å; F63-K85 WeakPolarHBondContact O-CE 3.25Å; F63-K85 PolarHBondContact O-NZ 2.99Å; F63-A88 HydrophobicContact CE1-CB 3.81Å; F63-A88 HydrophobicContact CZ-CB 4.07Å; F63-F89 HydrophobicContact CB-CB 4.45Å; F63-F89 HydrophobicContact CB-CD2 3.85Å; F63-F89 HydrophobicContact CD1-CB 3.72Å; F63-F89 HydrophobicContact CD1-CD2 4.48Å; F63-F89 HydrophobicContact CD2-CB 4.27Å; F63-F89 AromaticContact CD2-CD2 3.76Å; F63-F89 HydrophobicContact CD2-CD2 3.76Å; F63-F89 HydrophobicContact CE1-CB 3.93Å; F63-F89 HydrophobicContact CE2-CB 4.43Å; F63-F89 HydrophobicContact CE2-CD2 4.41Å; F63-F89 HydrophobicContact CG-CB 3.9Å; F63-F89 AromaticContact CG-CD2 3.78Å; F63-F89 HydrophobicContact CG-CD2 3.78Å; F63-F89 HydrophobicContact CG-CG 4.32Å; F63-F89 HydrophobicContact CZ-CB 4.28Å
64	R	88.8	Confident	92.9	Very high	218 Å²	218	75.9 Å²	75.9	82%	0.823	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	39.8	-176.4	-52.7	-178.9	-177.7	179.4	-1.2	112.1	T60 E61 I62	T60-R64 PolarHBondContact O-N 3.01Å; T60-R64 VanDerWaalsContact O-N 3.14Å; E61-R64 PolarHBondContact O-N 3.39Å; I62-R64 PolarHBondContact O-N 2.95Å
65	G	90.1	Very high	93.1	Very high	20 Å²	20	71.8 Å²	71.8	21%	0.206	36%	0.357	C	S	.	.			trans	-82.2	173	168.1	0	0	0	0	0	111.3	T60 F63 Q78	T60-G65 VanDerWaalsContact CG2-C 3.48Å; T60-G65 PolarHBondContact O-N 3.41Å; F63-G65 PolarHBondContact O-N 3.21Å; G65-Q78 CarbonylContact C-O 3.56Å; G65-Q78 VanDerWaalsContact CA-O 3.26Å; G65-Q78 WeakPolarHBondContact CA-O 3.47Å
66	Q	91.1	Very high	93.1	Very high	124 Å²	124	71.5 Å²	71.5	58%	0.579	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.6	177.1	-172.2	177.5	-6.3	0	0	109	I68 V77 Q78	Q66-I68 HydrophobicContact CB-CD1 4.15Å; Q66-I68 HydrophobicContact CG-CD1 3.87Å; Q66-I68 PolarHBondContact O-N 3.14Å; Q66-V77 CarbonylContact O-C 3.57Å; Q66-V77 WeakPolarHBondContact O-CA 3.42Å; Q66-Q78 PolarHBondContact N-O 3.28Å; Q66-Q78 PolarHBondContact O-N 3.12Å
67	I	94.1	Very high	93.1	Very high	56 Å²	56	71.5 Å²	71.5	29%	0.287	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	117.9	168.6	-57.3	178.5	0	0	0	107.1	K57 T60 Y75 V77	K57-I67 HydrophobicContact CB-CD1 4.36Å; K57-I67 HydrophobicContact CG-CD1 4.12Å; T60-I67 HydrophobicContact CG2-CG1 3.86Å; I67-Y75 HydrophobicContact CD1-CD1 4Å; I67-Y75 HydrophobicContact CD1-CE1 3.97Å; I67-Y75 HydrophobicContact CG2-CD1 3.8Å; I67-Y75 HydrophobicContact CG2-CE1 4.42Å; I67-V77 HydrophobicContact CG1-CG2 4.37Å
68	I	91.4	Very high	93.1	Very high	83 Å²	83	69.9 Å²	69.9	43%	0.426	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-37.2	-177.7	-54.8	-58.1	0	0	0	111.1	L43 Q66 T76 Q78	L43-I68 HydrophobicContact CD1-CG1 4.46Å; Q66-I68 HydrophobicContact CB-CD1 4.15Å; Q66-I68 HydrophobicContact CG-CD1 3.87Å; Q66-I68 PolarHBondContact O-N 3.14Å; I68-T76 HydrophobicContact CB-CG2 4.4Å; I68-T76 PolarHBondContact N-O 2.85Å; I68-Q78 HydrophobicContact CD1-CB 3.81Å; I68-Q78 HydrophobicContact CG1-CB 3.64Å
69	D	93	Very high	92.8	Very high	88 Å²	88	63 Å²	63	47%	0.471	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	150.2	-179.2	-178.5	41.3	0	0	0	110.6	T76	D69-T76 PolarHBondContact N-O 3.35Å; D69-T76 PolarHBondContact O-N 3.17Å
70	V	94.6	Very high	92.3	Very high	78 Å²	78	64 Å²	64	47%	0.473	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	130.9	-178.6	63.4	0	0	0	0	111.2	Y75	V70-Y75 HydrophobicContact CB-CD1 4.06Å; V70-Y75 HydrophobicContact CB-CE1 4.12Å; V70-Y75 HydrophobicContact CG2-CD1 3.67Å; V70-Y75 HydrophobicContact CG2-CE1 3.38Å
71	T	92.6	Very high	91.4	Very high	46 Å²	46	64.2 Å²	64.2	28%	0.282	34%	0.339	S	S	.	.			trans	-123.3	174.5	170.5	82.7	0	0	0	0	109.7	R53 S73 L74	R53-T71 PolarHBondContact NH1-O 3.25Å; R53-T71 PolarHBondContact NH2-O 3.32Å; R53-T71 VanDerWaalsContact NH2-O 3.09Å; T71-S73 PolarHBondContact O-N 2.95Å; T71-S73 PolarHBondContact OG1-N 3.32Å; T71-L74 HydrophobicContact CG2-CB 4.48Å; T71-L74 PolarHBondContact N-O 3.47Å; T71-L74 PolarHBondContact O-N 3.01Å; T71-L74 WeakPolarHBondContact OG1-CB 3.38Å; T71-L74 PolarHBondContact OG1-N 3.21Å
72	P	90.8	Very high	90.7	Very high	125 Å²	125	61.4 Å²	61.4	81%	0.812	33%	0.33	S	S	*	.	S	Bend	trans	-56	-24.7	179.2	-28.4	36.8	0	0	0	114.9	R53	R53-P72 PolarHBondContact NH1-O 2.93Å
73	S	92.6	Very high	90.1	Very high	52 Å²	52	56.7 Å²	56.7	36%	0.364	31%	0.307	S	S	.	.	S	Bend	trans	-125.6	-7.1	-178.9	60.3	0	0	0	0	114.4	Q47 A48 T71	Q47-S73 CarbonylContact C-O 3.6Å; Q47-S73 VanDerWaalsContact CA-O 3.23Å; Q47-S73 WeakPolarHBondContact CA-O 3.4Å; Q47-S73 WeakPolarHBondContact CG-O 3.45Å; A48-S73 PolarHBondContact N-O 3.39Å; T71-S73 PolarHBondContact O-N 2.95Å; T71-S73 PolarHBondContact OG1-N 3.32Å
74	L	95.8	Very high	89.5	Confident	34 Å²	34	57.2 Å²	57.2	18%	0.178	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.4	-175.3	-63.7	154.9	0	0	0	112.8	K45 I46 Q47 T71 V100	K45-L74 HydrophobicContact CD-CD2 4.47Å; K45-L74 HydrophobicContact CG-CD2 4.05Å; I46-L74 CarbonylContact O-C 3.57Å; I46-L74 VanDerWaalsContact O-CA 3.25Å; I46-L74 WeakPolarHBondContact O-CA 3.43Å; Q47-L74 HydrophobicContact CB-CD2 3.8Å; Q47-L74 HydrophobicContact CG-CD2 4.32Å; T71-L74 HydrophobicContact CG2-CB 4.48Å; T71-L74 PolarHBondContact N-O 3.47Å; T71-L74 PolarHBondContact O-N 3.01Å; T71-L74 WeakPolarHBondContact OG1-CB 3.38Å; T71-L74 PolarHBondContact OG1-N 3.21Å; L74-V100 HydrophobicContact CD2-CG2 3.87Å
75	Y	97	Very high	89.3	Confident	20 Å²	20	49.8 Å²	49.8	8%	0.078	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.4	161	-72.2	-76.4	0	0	0	109.3	K45 I46 R53 V56 I67 V70	K45-Y75 CarbonylContact C-O 3.55Å; K45-Y75 WeakPolarHBondContact CA-O 3.4Å; I46-Y75 PolarHBondContact N-O 3.32Å; I46-Y75 PolarHBondContact O-N 3.35Å; R53-Y75 HydrophobicContact CB-CE2 3.87Å; R53-Y75 HydrophobicContact CG-CE2 4.03Å; R53-Y75 VanDerWaalsContact NH2-CZ 3.28Å; R53-Y75 PolarHBondContact NH2-OH 3.05Å; V56-Y75 HydrophobicContact CB-CD2 4.09Å; V56-Y75 HydrophobicContact CB-CE2 4.31Å; V56-Y75 HydrophobicContact CG1-CD2 3.65Å; V56-Y75 HydrophobicContact CG1-CE2 4.26Å; V56-Y75 HydrophobicContact CG1-CG 3.97Å; I67-Y75 HydrophobicContact CD1-CD1 4Å; I67-Y75 HydrophobicContact CD1-CE1 3.97Å; I67-Y75 HydrophobicContact CG2-CD1 3.8Å; I67-Y75 HydrophobicContact CG2-CE1 4.42Å; V70-Y75 HydrophobicContact CB-CD1 4.06Å; V70-Y75 HydrophobicContact CB-CE1 4.12Å; V70-Y75 HydrophobicContact CG2-CD1 3.67Å; V70-Y75 HydrophobicContact CG2-CE1 3.38Å
76	T	96.5	Very high	89.2	Confident	22 Å²	22	48.9 Å²	48.9	14%	0.135	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.4	163	-56.3	0	0	0	0	107.7	L43 I68 D69	L43-T76 HydrophobicContact CD1-CG2 4.02Å; L43-T76 HydrophobicContact CD2-CG2 3.97Å; L43-T76 HydrophobicContact CG-CG2 3.91Å; I68-T76 HydrophobicContact CB-CG2 4.4Å; I68-T76 PolarHBondContact N-O 2.85Å; D69-T76 PolarHBondContact N-O 3.35Å; D69-T76 PolarHBondContact O-N 3.17Å
77	V	95.9	Very high	89.1	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.8	-176.1	-174.1	0	0	0	0	110	L43 V44 I46 V56 T60 Q66 I67 L79 F89	L43-V77 CarbonylContact C-O 3.54Å; L43-V77 WeakPolarHBondContact CA-O 3.31Å; V44-V77 HydrophobicContact CG1-CB 4.02Å; V44-V77 PolarHBondContact N-O 3.35Å; V44-V77 PolarHBondContact O-N 2.92Å; I46-V77 HydrophobicContact CD1-CB 4.35Å; I46-V77 HydrophobicContact CD1-CG2 3.79Å; V56-V77 HydrophobicContact CG1-CG2 4.49Å; T60-V77 HydrophobicContact CG2-CG1 3.48Å; T60-V77 VanDerWaalsContact CG2-CG1 3.48Å; Q66-V77 CarbonylContact O-C 3.57Å; Q66-V77 WeakPolarHBondContact O-CA 3.42Å; I67-V77 HydrophobicContact CG1-CG2 4.37Å; V77-L79 HydrophobicContact CB-CD1 4.27Å; V77-L79 HydrophobicContact CG1-CD1 3.52Å; V77-L79 HydrophobicContact CG1-CG 4.16Å; V77-F89 HydrophobicContact CG1-CZ 4.17Å
78	Q	93.9	Very high	88.9	Confident	68 Å²	68	46.1 Å²	46.1	32%	0.318	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.5	169.8	-175.1	-178.5	-0.4	0	0	109.9	I41 M42 L43 G65 Q66 I68	I41-Q78 HydrophobicContact CG2-CG 4.01Å; M42-Q78 CarbonylContact O-C 3.55Å; M42-Q78 WeakPolarHBondContact O-CA 3.44Å; L43-Q78 HydrophobicContact CD1-CB 4.17Å; G65-Q78 CarbonylContact C-O 3.56Å; G65-Q78 VanDerWaalsContact CA-O 3.26Å; G65-Q78 WeakPolarHBondContact CA-O 3.47Å; Q66-Q78 PolarHBondContact N-O 3.28Å; Q66-Q78 PolarHBondContact O-N 3.12Å; I68-Q78 HydrophobicContact CD1-CB 3.81Å; I68-Q78 HydrophobicContact CG1-CB 3.64Å
79	L	89.3	Confident	89.1	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	145.7	172.7	-66	104.4	0	0	0	110.8	I41 M42 V44 F63 V77 L86 F89	I41-L79 CarbonylContact C-O 3.56Å; I41-L79 WeakPolarHBondContact CA-O 3.44Å; M42-L79 HydrophobicContact CE-CD1 3.86Å; M42-L79 PolarHBondContact N-O 2.86Å; M42-L79 PolarHBondContact O-N 2.78Å; V44-L79 HydrophobicContact CG1-CD1 4.11Å; F63-L79 HydrophobicContact CB-CD2 3.59Å; F63-L79 HydrophobicContact CG-CD2 4.49Å; V77-L79 HydrophobicContact CB-CD1 4.27Å; V77-L79 HydrophobicContact CG1-CD1 3.52Å; V77-L79 HydrophobicContact CG1-CG 4.16Å; L79-L86 HydrophobicContact CB-CD2 3.57Å; L79-F89 HydrophobicContact CD1-CD1 3.59Å; L79-F89 HydrophobicContact CD1-CD2 4.32Å; L79-F89 HydrophobicContact CD1-CE1 3.51Å; L79-F89 HydrophobicContact CD1-CE2 4.24Å; L79-F89 HydrophobicContact CD1-CG 4Å; L79-F89 HydrophobicContact CD1-CZ 3.84Å; L79-F89 HydrophobicContact CD2-CB 4.01Å; L79-F89 HydrophobicContact CD2-CD1 4.1Å; L79-F89 HydrophobicContact CD2-CD2 3.62Å; L79-F89 HydrophobicContact CD2-CE2 4.08Å; L79-F89 HydrophobicContact CD2-CG 3.61Å; L79-F89 HydrophobicContact CG-CG 4.48Å
80	A	83.6	Confident	89.2	Confident	36 Å²	36	38.5 Å²	38.5	30%	0.298	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.2	168.7	0	0	0	0	0	110.8	E40 I41 K85	E40-A80 VanDerWaalsContact O-CA 3.25Å; E40-A80 WeakPolarHBondContact O-CA 3.38Å; I41-A80 HydrophobicContact CG1-CB 4.32Å; A80-K85 PolarHBondContact O-NZ 3.12Å; A80-K85 VanDerWaalsContact O-NZ 3.07Å
81	G	77	Confident	89.2	Confident	8 Å²	8	37.4 Å²	37.4	8%	0.082	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179	-178.3	-172.4	0	0	0	0	0	114.8	R39 E40	R39-G81 CarbonylContact C-O 3.43Å; R39-G81 VanDerWaalsContact CA-O 3.32Å; R39-G81 WeakPolarHBondContact CA-O 3.42Å; E40-G81 PolarHBondContact N-O 2.99Å; E40-G81 PolarHBondContact O-N 3.36Å
82	T	75.4	Confident	89.3	Confident	66 Å²	66	37.3 Å²	37.3	41%	0.405	24%	0.243	S	C	.	.			trans	-67.8	157.8	162.3	54.5	0	0	0	0	109.7	E38 G84 K85 L86	E38-T82 WeakPolarHBondContact O-CG2 3.42Å; T82-G84 VanDerWaalsContact C-N 3.26Å; T82-G84 PolarHBondContact O-N 2.93Å; T82-K85 WeakPolarHBondContact O-CB 3.41Å; T82-K85 PolarHBondContact O-N 2.91Å; T82-K85 WeakPolarHBondContact OG1-CB 3.41Å; T82-K85 PolarHBondContact OG1-N 2.97Å; T82-L86 WeakPolarHBondContact O-CG 3.5Å; T82-L86 PolarHBondContact O-N 3.27Å; T82-L86 VanDerWaalsContact O-N 3.11Å
83	S	76.7	Confident	89.4	Confident	9 Å²	9	31.3 Å²	31.3	6%	0.063	20%	0.204	C	C	.	.	H	α-helix	trans	-51.2	-47.5	175.2	-50.5	0	0	0	0	111.4	E38 E40 K85 L86 D87	E38-S83 VanDerWaalsContact OE2-CB 3.3Å; E38-S83 WeakPolarHBondContact OE2-CB 3.48Å; E38-S83 PolarHBondContact OE2-OG 3.47Å; E40-S83 PolarHBondContact OE1-OG 3.19Å; E40-S83 VanDerWaalsContact OE1-OG 3.07Å; S83-K85 VanDerWaalsContact C-N 3.34Å; S83-K85 PolarHBondContact O-N 3.05Å; S83-L86 PolarHBondContact O-N 2.88Å; S83-D87 VanDerWaalsContact O-CG 3.27Å; S83-D87 PolarHBondContact O-N 3.25Å
84	G	79.8	Confident	89.4	Confident	47 Å²	47	36.8 Å²	36.8	49%	0.485	22%	0.217	S	C	.	.	H	α-helix	trans	-60.7	-34.3	176.9	0	0	0	0	0	114.8	T82 A88	T82-G84 VanDerWaalsContact C-N 3.26Å; T82-G84 PolarHBondContact O-N 2.93Å; G84-A88 VanDerWaalsContact O-CB 3.24Å; G84-A88 WeakPolarHBondContact O-CB 3.42Å; G84-A88 PolarHBondContact O-N 3.31Å
85	K	83.8	Confident	89.2	Confident	62 Å²	62	42.6 Å²	42.6	27%	0.27	25%	0.248	S	C	.	.	H	α-helix	trans	-67.1	-42.5	174	178.4	-175	169.4	-160.3	0	110.9	F63 A80 T82 S83 A88 F89	F63-K85 HydrophobicContact CD1-CG 3.99Å; F63-K85 HydrophobicContact CE1-CG 4.45Å; F63-K85 WeakPolarHBondContact CE1-O 3.27Å; F63-K85 WeakPolarHBondContact O-CE 3.25Å; F63-K85 PolarHBondContact O-NZ 2.99Å; A80-K85 PolarHBondContact O-NZ 3.12Å; A80-K85 VanDerWaalsContact O-NZ 3.07Å; T82-K85 WeakPolarHBondContact O-CB 3.41Å; T82-K85 PolarHBondContact O-N 2.91Å; T82-K85 WeakPolarHBondContact OG1-CB 3.41Å; T82-K85 PolarHBondContact OG1-N 2.97Å; S83-K85 VanDerWaalsContact C-N 3.34Å; S83-K85 PolarHBondContact O-N 3.05Å; K85-A88 PolarHBondContact O-N 2.9Å; K85-F89 PolarHBondContact O-N 3.47Å
86	L	88.8	Confident	89.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68.5	-40.5	-179.3	-59.9	177.1	0	0	0	111.1	E40 M42 L79 T82 S83 F89 L90	E40-L86 HydrophobicContact CB-CD1 3.61Å; M42-L86 HydrophobicContact CB-CD1 3.96Å; M42-L86 HydrophobicContact CB-CD2 4.05Å; M42-L86 HydrophobicContact CB-CG 4.45Å; M42-L86 HydrophobicContact CE-CB 4.1Å; M42-L86 HydrophobicContact CE-CD2 4.24Å; M42-L86 HydrophobicContact SD-CB 4.17Å; L79-L86 HydrophobicContact CB-CD2 3.57Å; T82-L86 WeakPolarHBondContact O-CG 3.5Å; T82-L86 PolarHBondContact O-N 3.27Å; T82-L86 VanDerWaalsContact O-N 3.11Å; S83-L86 PolarHBondContact O-N 2.88Å; L86-F89 PolarHBondContact O-N 3.16Å; L86-L90 WeakPolarHBondContact O-CG 3.39Å; L86-L90 PolarHBondContact O-N 3.18Å; L86-L90 VanDerWaalsContact O-N 3.09Å
87	D	89.5	Confident	89	Confident	77 Å²	77	43.5 Å²	43.5	41%	0.412	26%	0.257	S	S	.	.	H	α-helix	trans	-63.7	-42	174	-65	-28.9	0	0	0	111.7	S83 F89 L90 A91 R104	S83-D87 VanDerWaalsContact O-CG 3.27Å; S83-D87 PolarHBondContact O-N 3.25Å; D87-F89 VanDerWaalsContact C-N 3.33Å; D87-F89 PolarHBondContact O-N 3.09Å; D87-L90 PolarHBondContact O-N 3.33Å; D87-A91 WeakPolarHBondContact O-CB 2.98Å; D87-A91 PolarHBondContact O-N 2.87Å; D87-R104 IonicContact OD1-CZ 3.64Å; D87-R104 VanDerWaalsContact OD1-CZ 3.27Å; D87-R104 IonicContact OD1-NH1 2.99Å; D87-R104 PolarHBondContact OD1-NH1 3.48Å; D87-R104 IonicContact OD1-NH2 3.79Å; D87-R104 PolarHBondContact OD1-NH2 3.26Å
88	A	89.9	Confident	89	Confident	45 Å²	45	50 Å²	50	37%	0.372	29%	0.285	S	S	.	.	H	α-helix	trans	-62.4	-37.4	175.6	0	0	0	0	0	112.7	F63 G84 K85 A91 S92	F63-A88 HydrophobicContact CE1-CB 3.81Å; F63-A88 HydrophobicContact CZ-CB 4.07Å; G84-A88 VanDerWaalsContact O-CB 3.24Å; G84-A88 WeakPolarHBondContact O-CB 3.42Å; G84-A88 PolarHBondContact O-N 3.31Å; K85-A88 PolarHBondContact O-N 2.9Å; A88-A91 PolarHBondContact O-N 3.23Å; A88-S92 WeakPolarHBondContact O-CB 3.43Å; A88-S92 PolarHBondContact O-N 2.56Å
89	F	94.9	Very high	89.1	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-46.3	172.5	172.8	-94.6	0	0	0	111.5	M42 V44 I46 N59 F63 V77 L79 K85 L86 D87 A91 S92 I93	M42-F89 HydrophobicContact CE-CD1 3.79Å; M42-F89 HydrophobicContact CE-CE1 4.46Å; V44-F89 HydrophobicContact CG1-CD1 4.49Å; V44-F89 HydrophobicContact CG1-CE1 3.77Å; I46-F89 HydrophobicContact CD1-CE1 4.07Å; I46-F89 HydrophobicContact CD1-CZ 4Å; N59-F89 HydrophobicContact CB-CD2 4.41Å; N59-F89 HydrophobicContact CB-CE2 4.04Å; F63-F89 HydrophobicContact CB-CB 4.45Å; F63-F89 HydrophobicContact CB-CD2 3.85Å; F63-F89 HydrophobicContact CD1-CB 3.72Å; F63-F89 HydrophobicContact CD1-CD2 4.48Å; F63-F89 HydrophobicContact CD2-CB 4.27Å; F63-F89 AromaticContact CD2-CD2 3.76Å; F63-F89 HydrophobicContact CD2-CD2 3.76Å; F63-F89 HydrophobicContact CE1-CB 3.93Å; F63-F89 HydrophobicContact CE2-CB 4.43Å; F63-F89 HydrophobicContact CE2-CD2 4.41Å; F63-F89 HydrophobicContact CG-CB 3.9Å; F63-F89 AromaticContact CG-CD2 3.78Å; F63-F89 HydrophobicContact CG-CD2 3.78Å; F63-F89 HydrophobicContact CG-CG 4.32Å; F63-F89 HydrophobicContact CZ-CB 4.28Å; V77-F89 HydrophobicContact CG1-CZ 4.17Å; L79-F89 HydrophobicContact CD1-CD1 3.59Å; L79-F89 HydrophobicContact CD1-CD2 4.32Å; L79-F89 HydrophobicContact CD1-CE1 3.51Å; L79-F89 HydrophobicContact CD1-CE2 4.24Å; L79-F89 HydrophobicContact CD1-CG 4Å; L79-F89 HydrophobicContact CD1-CZ 3.84Å; L79-F89 HydrophobicContact CD2-CB 4.01Å; L79-F89 HydrophobicContact CD2-CD1 4.1Å; L79-F89 HydrophobicContact CD2-CD2 3.62Å; L79-F89 HydrophobicContact CD2-CE2 4.08Å; L79-F89 HydrophobicContact CD2-CG 3.61Å; L79-F89 HydrophobicContact CG-CG 4.48Å; K85-F89 PolarHBondContact O-N 3.47Å; L86-F89 PolarHBondContact O-N 3.16Å; D87-F89 VanDerWaalsContact C-N 3.33Å; D87-F89 PolarHBondContact O-N 3.09Å; F89-A91 VanDerWaalsContact C-N 3.28Å; F89-A91 PolarHBondContact O-N 3.04Å; F89-S92 PolarHBondContact O-N 2.94Å; F89-S92 PolarHBondContact O-OG 3.08Å; F89-I93 HydrophobicContact CD1-CD1 4.38Å; F89-I93 HydrophobicContact CE1-CD1 3.73Å; F89-I93 HydrophobicContact CE2-CG2 4.28Å; F89-I93 HydrophobicContact CZ-CD1 4.12Å; F89-I93 HydrophobicContact CZ-CG2 4.25Å; F89-I93 WeakPolarHBondContact O-CG1 2.97Å; F89-I93 PolarHBondContact O-N 3.47Å
90	L	95.2	Very high	89.3	Confident	12 Å²	12	52.1 Å²	52.1	6%	0.063	30%	0.301	C	S	.	.	H	α-helix	trans	-62.4	-39.8	177.6	-65.5	-180	0	0	0	111	M42 V44 L86 D87 I93 R94 I99 V102	M42-L90 HydrophobicContact CE-CD1 4.44Å; M42-L90 HydrophobicContact CE-CD2 3.77Å; M42-L90 HydrophobicContact CE-CG 3.89Å; M42-L90 HydrophobicContact SD-CD1 3.83Å; M42-L90 HydrophobicContact SD-CD2 3.98Å; M42-L90 HydrophobicContact SD-CG 3.95Å; V44-L90 HydrophobicContact CB-CD2 4.33Å; V44-L90 HydrophobicContact CG1-CD2 4.5Å; V44-L90 HydrophobicContact CG2-CD2 3.82Å; L86-L90 WeakPolarHBondContact O-CG 3.39Å; L86-L90 PolarHBondContact O-N 3.18Å; L86-L90 VanDerWaalsContact O-N 3.09Å; D87-L90 PolarHBondContact O-N 3.33Å; L90-I93 WeakPolarHBondContact O-CG1 3.44Å; L90-R94 WeakPolarHBondContact O-CG 3.22Å; L90-R94 PolarHBondContact O-N 3.47Å; L90-I99 HydrophobicContact CB-CD1 4.07Å; L90-I99 HydrophobicContact CD2-CD1 3.88Å; L90-I99 HydrophobicContact CD2-CG1 4.42Å; L90-I99 HydrophobicContact CG-CD1 4.46Å; L90-V102 HydrophobicContact CD1-CG2 4.29Å; L90-V102 HydrophobicContact CD2-CG2 4.21Å
91	A	93.6	Very high	89.7	Confident	55 Å²	55	56.2 Å²	56.2	46%	0.455	31%	0.314	S	S	.	.	H	α-helix	trans	-63.3	-42.2	176.8	0	0	0	0	0	112.2	D87 A88 F89 I93 R94	D87-A91 WeakPolarHBondContact O-CB 2.98Å; D87-A91 PolarHBondContact O-N 2.87Å; A88-A91 PolarHBondContact O-N 3.23Å; F89-A91 VanDerWaalsContact C-N 3.28Å; F89-A91 PolarHBondContact O-N 3.04Å; A91-I93 VanDerWaalsContact C-N 3.27Å; A91-I93 PolarHBondContact O-N 3.3Å; A91-R94 PolarHBondContact O-N 3.07Å
92	S	94.3	Very high	90.4	Very high	43 Å²	43	58.8 Å²	58.8	30%	0.301	33%	0.327	S	S	.	.	H	α-helix	trans	-70	-21.3	-176	72.5	0	0	0	0	114.4	N59 A88 F89	N59-S92 WeakPolarHBondContact OD1-CB 3.3Å; N59-S92 PolarHBondContact OD1-OG 3.28Å; A88-S92 WeakPolarHBondContact O-CB 3.43Å; A88-S92 PolarHBondContact O-N 2.56Å; F89-S92 PolarHBondContact O-N 2.94Å; F89-S92 PolarHBondContact O-OG 3.08Å
93	I	94.6	Very high	90.9	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-99.8	-11.6	178	65.9	170.8	0	0	0	114	I46 N59 F89 L90 A91 D95 V96 A97 I99	I46-I93 HydrophobicContact CD1-CD1 3.43Å; I46-I93 VanDerWaalsContact CD1-CD1 3.43Å; I46-I93 HydrophobicContact CG1-CD1 3.81Å; I46-I93 HydrophobicContact CG2-CD1 4.24Å; N59-I93 HydrophobicContact CB-CG2 3.71Å; F89-I93 HydrophobicContact CD1-CD1 4.38Å; F89-I93 HydrophobicContact CE1-CD1 3.73Å; F89-I93 HydrophobicContact CE2-CG2 4.28Å; F89-I93 HydrophobicContact CZ-CD1 4.12Å; F89-I93 HydrophobicContact CZ-CG2 4.25Å; F89-I93 WeakPolarHBondContact O-CG1 2.97Å; F89-I93 PolarHBondContact O-N 3.47Å; L90-I93 WeakPolarHBondContact O-CG1 3.44Å; A91-I93 VanDerWaalsContact C-N 3.27Å; A91-I93 PolarHBondContact O-N 3.3Å; I93-D95 VanDerWaalsContact C-N 3.26Å; I93-D95 PolarHBondContact O-N 3.06Å; I93-V96 WeakPolarHBondContact O-CG2 3.3Å; I93-V96 PolarHBondContact O-N 3.28Å; I93-A97 PolarHBondContact O-N 2.86Å; I93-I99 HydrophobicContact CD1-CG1 4.19Å
94	R	92.5	Very high	91.3	Very high	166 Å²	166	61.4 Å²	61.4	63%	0.626	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-33.1	-173.1	-94.9	170.2	-166.8	-135.6	3.9	113.7	L90 A91 V96 I99	L90-R94 WeakPolarHBondContact O-CG 3.22Å; L90-R94 PolarHBondContact O-N 3.47Å; A91-R94 PolarHBondContact O-N 3.07Å; R94-V96 VanDerWaalsContact C-N 3.34Å; R94-I99 HydrophobicContact CG-CD1 3.86Å
95	D	91.6	Very high	90.9	Very high	156 Å²	156	62.2 Å²	62.2	83%	0.834	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-15.2	-176.3	-62.4	-29.1	0	0	0	113.1	I93	I93-D95 VanDerWaalsContact C-N 3.26Å; I93-D95 PolarHBondContact O-N 3.06Å
96	V	93.7	Very high	90	Very high	48 Å²	48	59.6 Å²	59.6	29%	0.291	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-14.6	-173.5	-61.2	0	0	0	0	113.4	Y51 G52 E55 I93 R94	Y51-V96 HydrophobicContact CE1-CG1 4.48Å; G52-V96 WeakPolarHBondContact CA-O 3.42Å; E55-V96 HydrophobicContact CB-CB 4.23Å; E55-V96 HydrophobicContact CB-CG1 4.44Å; E55-V96 HydrophobicContact CB-CG2 3.77Å; E55-V96 HydrophobicContact CG-CG1 4.36Å; I93-V96 WeakPolarHBondContact O-CG2 3.3Å; I93-V96 PolarHBondContact O-N 3.28Å; R94-V96 VanDerWaalsContact C-N 3.34Å
97	A	94.9	Very high	88.6	Confident	13 Å²	13	61.3 Å²	61.3	11%	0.107	34%	0.342	C	S	.	.	S	Bend	trans	-150	153.5	-178	0	0	0	0	0	112	I46 A48 V56 I93	I46-A97 HydrophobicContact CG2-CB 3.45Å; I46-A97 VanDerWaalsContact CG2-CB 3.45Å; A48-A97 HydrophobicContact CB-CB 3.86Å; V56-A97 HydrophobicContact CG2-CB 3.6Å; I93-A97 PolarHBondContact O-N 2.86Å
98	K	95.7	Very high	87	Confident	136 Å²	136	62.7 Å²	62.7	59%	0.591	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.6	176.9	179.5	-177.6	177.8	-174.7	0	110.1	I46 Q47 V100	I46-K98 CarbonylContact C-O 3.56Å; Q47-K98 HydrophobicContact CB-CB 4.3Å; Q47-K98 PolarHBondContact N-O 2.67Å; Q47-K98 PolarHBondContact O-N 2.89Å; K98-V100 PolarHBondContact O-N 3.21Å
99	I	95.6	Very high	85.4	Confident	47 Å²	47	61.9 Å²	61.9	24%	0.241	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	119.5	169.2	-62.7	162.9	0	0	0	108.1	V44 L90 I93 R94 V102	V44-I99 HydrophobicContact CG2-CG2 4.01Å; L90-I99 HydrophobicContact CB-CD1 4.07Å; L90-I99 HydrophobicContact CD2-CD1 3.88Å; L90-I99 HydrophobicContact CD2-CG1 4.42Å; L90-I99 HydrophobicContact CG-CD1 4.46Å; I93-I99 HydrophobicContact CD1-CG1 4.19Å; R94-I99 HydrophobicContact CG-CD1 3.86Å; I99-V102 HydrophobicContact CG2-CG2 3.49Å; I99-V102 VanDerWaalsContact CG2-CG2 3.49Å
100	V	94.2	Very high	84	Confident	69 Å²	69	65 Å²	65	42%	0.418	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-46.4	179.8	179.5	0	0	0	0	110.5	K45 Q47 L74 K98	K45-V100 HydrophobicContact CB-CB 4.22Å; K45-V100 HydrophobicContact CD-CB 4.45Å; K45-V100 HydrophobicContact CD-CG1 4.23Å; K45-V100 HydrophobicContact CG-CB 4.17Å; K45-V100 HydrophobicContact CG-CG1 4.48Å; K45-V100 WeakPolarHBondContact O-CB 3.23Å; K45-V100 PolarHBondContact O-N 2.97Å; Q47-V100 HydrophobicContact CB-CG2 3.6Å; L74-V100 HydrophobicContact CD2-CG2 3.87Å; K98-V100 PolarHBondContact O-N 3.21Å
101	E	92.3	Very high	82.8	Confident	122 Å²	122	65.3 Å²	65.3	57%	0.57	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.6	143.5	-174.3	-172	179.7	175.9	0	0	110.1	V44 K45	V44-E101 CarbonylContact C-O 3.59Å; V44-E101 WeakPolarHBondContact CA-O 3.43Å; V44-E101 WeakPolarHBondContact CG2-O 3.4Å; K45-E101 HydrophobicContact CB-CB 4.06Å; K45-E101 PolarHBondContact N-O 2.86Å; K45-E101 PolarHBondContact O-N 3.44Å
102	V	91.4	Very high	81.9	Confident	61 Å²	61	65.5 Å²	65.5	37%	0.37	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.9	174.8	-179.9	0	0	0	0	108.6	M42 L43 V44 L90 I99 R104	M42-V102 HydrophobicContact CG-CG1 3.79Å; M42-V102 HydrophobicContact SD-CG1 3.72Å; L43-V102 WeakPolarHBondContact O-CA 3.42Å; V44-V102 HydrophobicContact CB-CG2 4.32Å; V44-V102 HydrophobicContact CG2-CG2 3.82Å; L90-V102 HydrophobicContact CD1-CG2 4.29Å; L90-V102 HydrophobicContact CD2-CG2 4.21Å; I99-V102 HydrophobicContact CG2-CG2 3.49Å; I99-V102 VanDerWaalsContact CG2-CG2 3.49Å; V102-R104 HydrophobicContact CG1-CG 4.2Å
103	A	86.4	Confident	80.7	Confident	49 Å²	49	65 Å²	65	41%	0.405	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.4	170.3	0	0	0	0	0	109.7	M42 L43	M42-A103 CarbonylContact C-O 3.41Å; M42-A103 VanDerWaalsContact CA-O 3.3Å; M42-A103 WeakPolarHBondContact CA-O 3.37Å; L43-A103 HydrophobicContact CB-CB 4.48Å; L43-A103 PolarHBondContact N-O 3.16Å; L43-A103 PolarHBondContact O-N 3.5Å
104	R	84.2	Confident	80	Confident	82 Å²	82	65 Å²	65	31%	0.309	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.6	178.9	-66.3	-170.6	174.5	-175.1	1.3	111.3	I41 M42 D87 V102 G106	I41-R104 CarbonylContact O-C 3.49Å; I41-R104 WeakPolarHBondContact O-CA 3.48Å; M42-R104 HydrophobicContact CB-CG 4.23Å; M42-R104 HydrophobicContact CG-CG 4.1Å; D87-R104 IonicContact OD1-CZ 3.64Å; D87-R104 VanDerWaalsContact OD1-CZ 3.27Å; D87-R104 IonicContact OD1-NH1 2.99Å; D87-R104 PolarHBondContact OD1-NH1 3.48Å; D87-R104 IonicContact OD1-NH2 3.79Å; D87-R104 PolarHBondContact OD1-NH2 3.26Å; V102-R104 HydrophobicContact CG1-CG 4.2Å; R104-G106 VanDerWaalsContact C-N 3.3Å; R104-G106 PolarHBondContact O-N 2.76Å
105	S	72.8	Confident	79.5	Confident	63 Å²	63	57.2 Å²	57.2	44%	0.441	31%	0.311	S	S	.	.			trans	-74.7	-15.7	179.4	66.9	0	0	0	0	114.4	I41	I41-S105 PolarHBondContact N-OG 3.06Å; I41-S105 PolarHBondContact O-N 3.3Å
106	G	63.9	Low	78.8	Confident	8 Å²	8	54.6 Å²	54.6	8%	0.082	29%	0.29	C	S	.	.			trans	73.7	166.1	-164.1	0	0	0	0	0	113.1	R104	R104-G106 VanDerWaalsContact C-N 3.3Å; R104-G106 PolarHBondContact O-N 2.76Å
107	A	59.7	Low	78.2	Confident	35 Å²	35	55.1 Å²	55.1	29%	0.289	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-69.9	130.2	-175.8	0	0	0	0	0	113.1	E38	E38-A107 HydrophobicContact CG-CB 3.84Å
108	I	54.7	Low	77.8	Confident	106 Å²	106	54.5 Å²	54.5	54%	0.544	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-90.8	128.1	175.2	-57.5	173.5	0	0	0	110.6	R39 K110	R39-I108 PolarHBondContact O-N 3.26Å; I108-K110 PolarHBondContact O-N 3.42Å
109	V	56.8	Low	77.4	Confident	28 Å²	28	50.9 Å²	50.9	17%	0.17	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-58.1	126.6	178.9	177.5	0	0	0	0	111.8	E113 I114	V109-E113 WeakPolarHBondContact CA-OE2 3.45Å; V109-E113 HydrophobicContact CG1-CB 3.78Å; V109-E113 HydrophobicContact CG1-CG 3.76Å; V109-I114 HydrophobicContact CG1-CD1 3.98Å; V109-I114 HydrophobicContact CG1-CG1 4.36Å
110	K	66.3	Low	77.1	Confident	66 Å²	66	50.1 Å²	50.1	29%	0.287	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-100.2	169.6	175.4	-67.2	-164.7	-173.1	167.9	0	112.6	V37 I108 D112 E113 I114	V37-K110 HydrophobicContact CB-CD 4.01Å; V37-K110 HydrophobicContact CG1-CD 4.49Å; V37-K110 VanDerWaalsContact O-CD 3.3Å; V37-K110 WeakPolarHBondContact O-CD 3.47Å; V37-K110 WeakPolarHBondContact O-CE 2.96Å; V37-K110 PolarHBondContact O-NZ 3.45Å; I108-K110 PolarHBondContact O-N 3.42Å; K110-D112 PolarHBondContact O-N 3.49Å; K110-D112 VanDerWaalsContact O-N 3.16Å; K110-E113 WeakPolarHBondContact O-CA 3.21Å; K110-E113 VanDerWaalsContact O-CB 3.32Å; K110-E113 WeakPolarHBondContact O-CB 3.5Å; K110-E113 PolarHBondContact O-N 3.42Å; K110-I114 PolarHBondContact O-N 3.02Å; K110-I114 VanDerWaalsContact O-N 3.09Å
111	L	69.8	Low	76.7	Confident	18 Å²	18	49.8 Å²	49.8	9%	0.094	28%	0.284	C	S	.	.	H	α-helix	trans	-51.6	-37.5	173.9	179.8	63.1	0	0	0	112.7	E113 I114 A115 R122 A125 I129 Y155	L111-E113 PolarHBondContact O-N 3.29Å; L111-I114 PolarHBondContact O-N 3.04Å; L111-A115 PolarHBondContact O-N 3.27Å; L111-R122 HydrophobicContact CD2-CG 4.26Å; L111-R122 HydrophobicContact CG-CG 4.4Å; L111-A125 HydrophobicContact CD1-CB 4.16Å; L111-I129 HydrophobicContact CD1-CD1 3.38Å; L111-Y155 HydrophobicContact CD1-CE1 4.5Å
112	D	73.5	Confident	76.2	Confident	60 Å²	60	50.4 Å²	50.4	32%	0.321	28%	0.282	S	S	.	.	H	α-helix	trans	-62	-32.7	178.1	-57.8	-24.5	0	0	0	111.2	K110 R116 R122	K110-D112 PolarHBondContact O-N 3.49Å; K110-D112 VanDerWaalsContact O-N 3.16Å; D112-R116 WeakPolarHBondContact O-CB 3.32Å; D112-R116 PolarHBondContact O-N 2.91Å; D112-R122 WeakPolarHBondContact OD1-CD 3.48Å; D112-R122 VanDerWaalsContact OD1-CG 3.25Å; D112-R122 WeakPolarHBondContact OD1-CG 3.25Å; D112-R122 IonicContact OD1-CZ 2.83Å; D112-R122 IonicContact OD1-NE 2.6Å; D112-R122 PolarHBondContact OD1-NE 3.03Å
113	E	70.5	Confident	75.8	Confident	31 Å²	31	51 Å²	51	15%	0.145	29%	0.286	C	S	.	.	H	α-helix	trans	-79.5	-37.1	177.1	-175.8	157.5	-148.2	0	0	112.7	V109 K110 L111 A115 R116 L117	V109-E113 WeakPolarHBondContact CA-OE2 3.45Å; V109-E113 HydrophobicContact CG1-CB 3.78Å; V109-E113 HydrophobicContact CG1-CG 3.76Å; K110-E113 WeakPolarHBondContact O-CA 3.21Å; K110-E113 VanDerWaalsContact O-CB 3.32Å; K110-E113 WeakPolarHBondContact O-CB 3.5Å; K110-E113 PolarHBondContact O-N 3.42Å; L111-E113 PolarHBondContact O-N 3.29Å; E113-A115 VanDerWaalsContact C-N 3.26Å; E113-A115 PolarHBondContact O-N 3.42Å; E113-R116 PolarHBondContact O-N 2.81Å; E113-R116 IonicContact OE1-CZ 3.98Å; E113-R116 IonicContact OE1-NH2 2.91Å; E113-R116 PolarHBondContact OE1-NH2 3.11Å; E113-L117 HydrophobicContact CG-CD1 3.89Å; E113-L117 HydrophobicContact CG-CG 4.2Å; E113-L117 WeakPolarHBondContact O-CB 3.47Å; E113-L117 WeakPolarHBondContact O-CG 3.45Å; E113-L117 PolarHBondContact O-N 3Å
114	I	79.5	Confident	75.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.2	-44.8	168.7	-60	-60.9	0	0	0	110.4	V109 K110 L111 R116 A118 I129 V146 V149 V150 H153 Y155	V109-I114 HydrophobicContact CG1-CD1 3.98Å; V109-I114 HydrophobicContact CG1-CG1 4.36Å; K110-I114 PolarHBondContact O-N 3.02Å; K110-I114 VanDerWaalsContact O-N 3.09Å; L111-I114 PolarHBondContact O-N 3.04Å; I114-R116 PolarHBondContact O-N 3.09Å; I114-A118 VanDerWaalsContact O-CB 3.23Å; I114-A118 WeakPolarHBondContact O-CB 3.24Å; I114-A118 PolarHBondContact O-N 3.06Å; I114-I129 HydrophobicContact CB-CD1 4.36Å; I114-I129 HydrophobicContact CG2-CD1 3.78Å; I114-V146 HydrophobicContact CG2-CG1 4.04Å; I114-V149 HydrophobicContact CD1-CG1 3.69Å; I114-V149 HydrophobicContact CG2-CG1 4.27Å; I114-V150 HydrophobicContact CG2-CG2 3.78Å; I114-H153 HydrophobicContact CD1-CB 4.34Å; I114-Y155 HydrophobicContact CD1-CD2 4.35Å; I114-Y155 HydrophobicContact CD1-CG 3.95Å; I114-Y155 HydrophobicContact CG1-CD1 4.05Å; I114-Y155 HydrophobicContact CG1-CD2 4Å; I114-Y155 HydrophobicContact CG1-CE2 4.5Å; I114-Y155 HydrophobicContact CG1-CG 3.76Å
115	A	82.1	Confident	76	Confident	3 Å²	3	46.4 Å²	46.4	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-45.7	177.1	0	0	0	0	0	111.7	L111 E113 A118 G119 V120 A125	L111-A115 PolarHBondContact O-N 3.27Å; E113-A115 VanDerWaalsContact C-N 3.26Å; E113-A115 PolarHBondContact O-N 3.42Å; A115-A118 CarbonylContact O-C 3.57Å; A115-A118 PolarHBondContact O-N 3.26Å; A115-G119 PolarHBondContact O-N 2.96Å; A115-V120 CarbonylContact C-O 3.54Å; A115-V120 HydrophobicContact CB-CG2 4.27Å; A115-V120 WeakPolarHBondContact CB-O 3.39Å; A115-V120 PolarHBondContact O-N 3.09Å; A115-V120 VanDerWaalsContact O-O 3.08Å; A115-A125 HydrophobicContact CB-CB 3.56Å
116	R	77	Confident	76.4	Confident	102 Å²	102	44.4 Å²	44.4	39%	0.385	25%	0.248	S	C	.	.	H	α-helix	trans	-62.4	-53	178.4	-175.6	-172.8	67.6	81.9	-3.1	112.7	D112 E113 I114 A118 G119	D112-R116 WeakPolarHBondContact O-CB 3.32Å; D112-R116 PolarHBondContact O-N 2.91Å; E113-R116 PolarHBondContact O-N 2.81Å; E113-R116 IonicContact OE1-CZ 3.98Å; E113-R116 IonicContact OE1-NH2 2.91Å; E113-R116 PolarHBondContact OE1-NH2 3.11Å; I114-R116 PolarHBondContact O-N 3.09Å; R116-A118 PolarHBondContact O-N 3Å; R116-G119 WeakPolarHBondContact O-CA 3.47Å; R116-G119 PolarHBondContact O-N 2.93Å
117	L	81.6	Confident	77.5	Confident	59 Å²	59	47.1 Å²	47.1	31%	0.309	26%	0.256	S	S	.	.	H	α-helix	trans	-61.4	-35.6	179.8	-71.4	169.9	0	0	0	111.4	E113 G119 V149 H153	E113-L117 HydrophobicContact CG-CD1 3.89Å; E113-L117 HydrophobicContact CG-CG 4.2Å; E113-L117 WeakPolarHBondContact O-CB 3.47Å; E113-L117 WeakPolarHBondContact O-CG 3.45Å; E113-L117 PolarHBondContact O-N 3Å; L117-G119 VanDerWaalsContact C-N 3.27Å; L117-G119 PolarHBondContact O-N 2.82Å; L117-V149 HydrophobicContact CB-CB 4.45Å; L117-V149 HydrophobicContact CB-CG1 3.57Å; L117-V149 HydrophobicContact CB-CG2 3.97Å; L117-V149 HydrophobicContact CD1-CG1 3.73Å; L117-V149 HydrophobicContact CG-CG1 4.32Å; L117-H153 WeakPolarHBondContact CD1-NE2 3.47Å
118	A	86.1	Confident	78.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-5.9	172.7	0	0	0	0	0	113.6	I114 A115 R116 V120 K145 V146 V149	I114-A118 VanDerWaalsContact O-CB 3.23Å; I114-A118 WeakPolarHBondContact O-CB 3.24Å; I114-A118 PolarHBondContact O-N 3.06Å; A115-A118 CarbonylContact O-C 3.57Å; A115-A118 PolarHBondContact O-N 3.26Å; R116-A118 PolarHBondContact O-N 3Å; A118-V120 HydrophobicContact CB-CG2 4.09Å; A118-V120 PolarHBondContact O-N 3.45Å; A118-K145 HydrophobicContact CB-CG 4.33Å; A118-K145 WeakPolarHBondContact O-CD 3.25Å; A118-K145 WeakPolarHBondContact O-CE 3.23Å; A118-K145 PolarHBondContact O-NZ 3.1Å; A118-V146 HydrophobicContact CB-CB 4.2Å; A118-V146 HydrophobicContact CB-CG2 3.58Å; A118-V149 HydrophobicContact CB-CG2 4.16Å
119	G	86.2	Confident	80.1	Confident	59 Å²	59	42.1 Å²	42.1	61%	0.608	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	40	-177.7	0	0	0	0	0	113.4	A115 R116 L117	A115-G119 PolarHBondContact O-N 2.96Å; R116-G119 WeakPolarHBondContact O-CA 3.47Å; R116-G119 PolarHBondContact O-N 2.93Å; L117-G119 VanDerWaalsContact C-N 3.27Å; L117-G119 PolarHBondContact O-N 2.82Å
120	V	89.3	Confident	81.1	Confident	32 Å²	32	44.6 Å²	44.6	19%	0.194	24%	0.238	C	C	.	.	S	Bend	trans	-128.2	166.2	179.9	-58.5	0	0	0	0	111.2	A115 A118 T124 A125 T142 V146	A115-V120 CarbonylContact C-O 3.54Å; A115-V120 HydrophobicContact CB-CG2 4.27Å; A115-V120 WeakPolarHBondContact CB-O 3.39Å; A115-V120 PolarHBondContact O-N 3.09Å; A115-V120 VanDerWaalsContact O-O 3.08Å; A118-V120 HydrophobicContact CB-CG2 4.09Å; A118-V120 PolarHBondContact O-N 3.45Å; V120-T124 HydrophobicContact CB-CG2 3.91Å; V120-T124 HydrophobicContact CG1-CG2 4.17Å; V120-T124 HydrophobicContact CG2-CG2 4.27Å; V120-A125 HydrophobicContact CG2-CB 3.93Å; V120-T142 HydrophobicContact CG1-CG2 3.48Å; V120-T142 VanDerWaalsContact CG1-CG2 3.48Å; V120-V146 HydrophobicContact CG1-CG2 4.2Å; V120-V146 HydrophobicContact CG2-CG2 3.77Å
121	S	86.1	Confident	81.8	Confident	61 Å²	61	44.7 Å²	44.7	43%	0.427	26%	0.258	S	S	.	.			trans	-66.1	152.5	171.4	80.9	0	0	0	0	111.5	T123 T124 A125	S121-T123 PolarHBondContact O-N 3.36Å; S121-T123 PolarHBondContact OG-N 3.29Å; S121-T124 WeakPolarHBondContact O-CB 3.3Å; S121-T124 PolarHBondContact O-N 2.96Å; S121-T124 WeakPolarHBondContact OG-CB 3.49Å; S121-T124 PolarHBondContact OG-N 3.38Å; S121-T124 PolarHBondContact OG-OG1 2.84Å; S121-A125 PolarHBondContact O-N 3Å
122	R	82.9	Confident	82.4	Confident	135 Å²	135	48.8 Å²	48.8	51%	0.509	28%	0.275	S	S	.	.	H	α-helix	trans	-50	-41.4	171.1	-177.6	-170.7	-177.9	-165.3	-4.8	111.9	L111 D112 A125 S126	L111-R122 HydrophobicContact CD2-CG 4.26Å; L111-R122 HydrophobicContact CG-CG 4.4Å; D112-R122 WeakPolarHBondContact OD1-CD 3.48Å; D112-R122 VanDerWaalsContact OD1-CG 3.25Å; D112-R122 WeakPolarHBondContact OD1-CG 3.25Å; D112-R122 IonicContact OD1-CZ 2.83Å; D112-R122 IonicContact OD1-NE 2.6Å; D112-R122 PolarHBondContact OD1-NE 3.03Å; R122-A125 PolarHBondContact O-N 2.87Å; R122-S126 WeakPolarHBondContact O-CB 3.35Å; R122-S126 PolarHBondContact O-N 2.92Å
123	T	83.1	Confident	83	Confident	75 Å²	75	46.3 Å²	46.3	46%	0.46	26%	0.263	S	S	.	.	H	α-helix	trans	-64.2	-45.5	178.6	-51.7	0	0	0	0	111.3	S121 S126 Y127	S121-T123 PolarHBondContact O-N 3.36Å; S121-T123 PolarHBondContact OG-N 3.29Å; T123-S126 WeakPolarHBondContact O-CB 3.47Å; T123-S126 PolarHBondContact O-N 3.41Å; T123-Y127 HydrophobicContact CG2-CD2 4.24Å; T123-Y127 HydrophobicContact CG2-CE1 4Å; T123-Y127 HydrophobicContact CG2-CE2 3.53Å; T123-Y127 WeakPolarHBondContact CG2-OH 3.48Å; T123-Y127 WeakPolarHBondContact O-CD2 3.47Å; T123-Y127 VanDerWaalsContact O-CG 3.3Å; T123-Y127 PolarHBondContact O-N 3.33Å
124	T	87.2	Confident	83.6	Confident	34 Å²	34	53.4 Å²	53.4	21%	0.209	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-48.2	175.3	-53	0	0	0	0	111.4	V120 S121 S126 Y127 V128 V138 T142	V120-T124 HydrophobicContact CB-CG2 3.91Å; V120-T124 HydrophobicContact CG1-CG2 4.17Å; V120-T124 HydrophobicContact CG2-CG2 4.27Å; S121-T124 WeakPolarHBondContact O-CB 3.3Å; S121-T124 PolarHBondContact O-N 2.96Å; S121-T124 WeakPolarHBondContact OG-CB 3.49Å; S121-T124 PolarHBondContact OG-N 3.38Å; S121-T124 PolarHBondContact OG-OG1 2.84Å; T124-S126 VanDerWaalsContact C-N 3.27Å; T124-S126 PolarHBondContact O-N 3.31Å; T124-Y127 PolarHBondContact O-N 3.41Å; T124-Y127 VanDerWaalsContact O-N 3.12Å; T124-V128 WeakPolarHBondContact O-CG2 3.44Å; T124-V128 PolarHBondContact O-N 2.86Å; T124-V138 HydrophobicContact CG2-CG1 3.97Å; T124-V138 HydrophobicContact CG2-CG2 4.18Å; T124-T142 HydrophobicContact CG2-CG2 4.01Å
125	A	86.9	Confident	83.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-58.7	-41.8	176.1	0	0	0	0	0	111.3	L111 A115 V120 S121 R122 Y127 V128 I129 V146	L111-A125 HydrophobicContact CD1-CB 4.16Å; A115-A125 HydrophobicContact CB-CB 3.56Å; V120-A125 HydrophobicContact CG2-CB 3.93Å; S121-A125 PolarHBondContact O-N 3Å; R122-A125 PolarHBondContact O-N 2.87Å; A125-Y127 PolarHBondContact O-N 2.85Å; A125-V128 PolarHBondContact O-N 3.36Å; A125-I129 WeakPolarHBondContact O-CB 3.36Å; A125-I129 VanDerWaalsContact O-CG1 3.27Å; A125-I129 WeakPolarHBondContact O-CG1 3.41Å; A125-I129 PolarHBondContact O-N 3.31Å; A125-V146 HydrophobicContact CB-CG1 4.49Å
126	S	81.5	Confident	84.2	Confident	21 Å²	21	64.7 Å²	64.7	15%	0.147	34%	0.342	C	S	.	.	H	α-helix	trans	-62.3	-41	174.8	-167.2	0	0	0	0	112.7	R122 T123 T124 V128 N130	R122-S126 WeakPolarHBondContact O-CB 3.35Å; R122-S126 PolarHBondContact O-N 2.92Å; T123-S126 WeakPolarHBondContact O-CB 3.47Å; T123-S126 PolarHBondContact O-N 3.41Å; T124-S126 VanDerWaalsContact C-N 3.27Å; T124-S126 PolarHBondContact O-N 3.31Å; S126-V128 VanDerWaalsContact C-N 3.34Å; S126-N130 WeakPolarHBondContact O-CB 3.38Å; S126-N130 VanDerWaalsContact O-CG 3.23Å; S126-N130 PolarHBondContact O-N 2.82Å; S126-N130 PolarHBondContact O-ND2 3.2Å; S126-N130 VanDerWaalsContact O-ND2 3.09Å; S126-N130 PolarHBondContact OG-ND2 3.25Å
127	Y	85.8	Confident	84.8	Confident	65 Å²	65	70.9 Å²	70.9	26%	0.255	37%	0.365	S	S	.	.	H	α-helix	trans	-64.9	-39.5	176.8	-65.2	-27.5	0	0	0	111.9	T123 T124 A125 G131 K132 A133 Y136	T123-Y127 HydrophobicContact CG2-CD2 4.24Å; T123-Y127 HydrophobicContact CG2-CE1 4Å; T123-Y127 HydrophobicContact CG2-CE2 3.53Å; T123-Y127 WeakPolarHBondContact CG2-OH 3.48Å; T123-Y127 WeakPolarHBondContact O-CD2 3.47Å; T123-Y127 VanDerWaalsContact O-CG 3.3Å; T123-Y127 PolarHBondContact O-N 3.33Å; T124-Y127 PolarHBondContact O-N 3.41Å; T124-Y127 VanDerWaalsContact O-N 3.12Å; A125-Y127 PolarHBondContact O-N 2.85Å; Y127-G131 PolarHBondContact O-N 3.36Å; Y127-K132 CarbonylContact O-C 3.58Å; Y127-K132 WeakPolarHBondContact O-CA 3.34Å; Y127-K132 PolarHBondContact O-N 2.9Å; Y127-A133 PolarHBondContact O-N 3.36Å; Y127-Y136 AromaticContact CD1-CD2 3.55Å; Y127-Y136 HydrophobicContact CD1-CD2 3.55Å; Y127-Y136 AromaticContact CD1-CE2 3.62Å; Y127-Y136 HydrophobicContact CD1-CE2 3.62Å; Y127-Y136 HydrophobicContact CD1-CG 4.21Å; Y127-Y136 HydrophobicContact CD2-CD1 4.22Å; Y127-Y136 AromaticContact CD2-CD2 3.71Å; Y127-Y136 HydrophobicContact CD2-CD2 3.71Å; Y127-Y136 HydrophobicContact CD2-CE2 4.46Å; Y127-Y136 AromaticContact CD2-CG 3.57Å; Y127-Y136 HydrophobicContact CD2-CG 3.57Å; Y127-Y136 HydrophobicContact CE1-CD1 4.33Å; Y127-Y136 AromaticContact CE1-CD2 3.68Å; Y127-Y136 HydrophobicContact CE1-CD2 3.68Å; Y127-Y136 HydrophobicContact CE1-CE1 4.11Å; Y127-Y136 AromaticContact CE1-CE2 3.43Å; Y127-Y136 HydrophobicContact CE1-CE2 3.43Å; Y127-Y136 VanDerWaalsContact CE1-CE2 3.43Å; Y127-Y136 HydrophobicContact CE1-CG 4.13Å; Y127-Y136 AromaticContact CE1-CZ 3.66Å; Y127-Y136 AromaticContact CE2-CD1 3.6Å; Y127-Y136 HydrophobicContact CE2-CD1 3.6Å; Y127-Y136 AromaticContact CE2-CD2 3.82Å; Y127-Y136 HydrophobicContact CE2-CD2 3.82Å; Y127-Y136 HydrophobicContact CE2-CE1 4.1Å; Y127-Y136 HydrophobicContact CE2-CE2 4.29Å; Y127-Y136 AromaticContact CE2-CG 3.44Å; Y127-Y136 HydrophobicContact CE2-CG 3.44Å; Y127-Y136 VanDerWaalsContact CE2-CG 3.44Å; Y127-Y136 AromaticContact CG-CD2 3.57Å; Y127-Y136 HydrophobicContact CG-CD2 3.57Å; Y127-Y136 HydrophobicContact CG-CE2 4.15Å; Y127-Y136 AromaticContact CG-CG 3.96Å; Y127-Y136 HydrophobicContact CG-CG 3.96Å; Y127-Y136 AromaticContact CZ-CD1 3.67Å; Y127-Y136 AromaticContact CZ-CD2 3.81Å; Y127-Y136 AromaticContact CZ-CE1 3.65Å; Y127-Y136 AromaticContact CZ-CE2 3.79Å; Y127-Y136 AromaticContact CZ-CG 3.75Å; Y127-Y136 AromaticContact CZ-CZ 3.71Å
128	V	86.8	Confident	85.2	Confident	8 Å²	8	69 Å²	69	5%	0.048	36%	0.356	C	S	.	.	H	α-helix	trans	-66.8	-54	176.6	178.1	0	0	0	0	111.3	T124 A125 S126 N130 G131 A133 V138 V143 V146 M147	T124-V128 WeakPolarHBondContact O-CG2 3.44Å; T124-V128 PolarHBondContact O-N 2.86Å; A125-V128 PolarHBondContact O-N 3.36Å; S126-V128 VanDerWaalsContact C-N 3.34Å; V128-N130 VanDerWaalsContact C-N 3.28Å; V128-N130 PolarHBondContact O-N 2.77Å; V128-G131 PolarHBondContact O-N 2.85Å; V128-A133 HydrophobicContact CG2-CB 4.21Å; V128-V138 HydrophobicContact CG2-CG1 3.89Å; V128-V143 HydrophobicContact CG1-CB 4.4Å; V128-V143 HydrophobicContact CG1-CG1 4.02Å; V128-V143 HydrophobicContact CG2-CG2 4.15Å; V128-V146 HydrophobicContact CB-CB 4.08Å; V128-V146 HydrophobicContact CB-CG1 3.83Å; V128-V146 HydrophobicContact CB-CG2 4.44Å; V128-V146 HydrophobicContact CG1-CB 3.81Å; V128-V146 HydrophobicContact CG1-CG1 3.76Å; V128-V146 HydrophobicContact CG2-CB 4.28Å; V128-V146 HydrophobicContact CG2-CG1 4.48Å; V128-V146 HydrophobicContact CG2-CG2 4.2Å; V128-M147 HydrophobicContact CG1-CG 3.85Å; V128-M147 HydrophobicContact CG1-SD 3.93Å
129	I	83.7	Confident	85.5	Confident	28 Å²	28	71.9 Å²	71.9	14%	0.144	38%	0.376	C	S	.	.	H	α-helix	trans	-62.1	-35.8	-176.1	-68	168.6	0	0	0	112	L111 I114 A125 G131 V146 V150 Y155 P157	L111-I129 HydrophobicContact CD1-CD1 3.38Å; I114-I129 HydrophobicContact CB-CD1 4.36Å; I114-I129 HydrophobicContact CG2-CD1 3.78Å; A125-I129 WeakPolarHBondContact O-CB 3.36Å; A125-I129 VanDerWaalsContact O-CG1 3.27Å; A125-I129 WeakPolarHBondContact O-CG1 3.41Å; A125-I129 PolarHBondContact O-N 3.31Å; I129-G131 VanDerWaalsContact C-N 3.27Å; I129-G131 PolarHBondContact O-N 3.28Å; I129-V146 HydrophobicContact CG1-CG1 4.18Å; I129-V150 HydrophobicContact CD1-CG2 3.86Å; I129-V150 HydrophobicContact CG1-CG2 3.7Å; I129-Y155 HydrophobicContact CD1-CD1 4.02Å; I129-Y155 HydrophobicContact CD1-CE1 3.85Å; I129-Y155 HydrophobicContact CG2-CE1 4.32Å; I129-P157 HydrophobicContact CG2-CB 4.12Å; I129-P157 HydrophobicContact CG2-CG 3.83Å
130	N	77.2	Confident	85.8	Confident	79 Å²	79	75 Å²	75	42%	0.422	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	12.2	178.9	-61.6	-32.8	0	0	0	113.4	S126 V128 K132	S126-N130 WeakPolarHBondContact O-CB 3.38Å; S126-N130 VanDerWaalsContact O-CG 3.23Å; S126-N130 PolarHBondContact O-N 2.82Å; S126-N130 PolarHBondContact O-ND2 3.2Å; S126-N130 VanDerWaalsContact O-ND2 3.09Å; S126-N130 PolarHBondContact OG-ND2 3.25Å; V128-N130 VanDerWaalsContact C-N 3.28Å; V128-N130 PolarHBondContact O-N 2.77Å; N130-K132 VanDerWaalsContact C-N 3.27Å; N130-K132 PolarHBondContact O-N 3.2Å
131	G	80.6	Confident	86	Confident	69 Å²	69	81.7 Å²	81.7	71%	0.711	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	13.2	176.6	0	0	0	0	0	115.8	Y127 V128 I129	Y127-G131 PolarHBondContact O-N 3.36Å; V128-G131 PolarHBondContact O-N 2.85Å; I129-G131 VanDerWaalsContact C-N 3.27Å; I129-G131 PolarHBondContact O-N 3.28Å
132	K	83.3	Confident	86.3	Confident	103 Å²	103	80.6 Å²	80.6	45%	0.448	40%	0.396	S	S	.	.			trans	-95.8	7.3	-179.6	-59.9	-174	-179.8	-177.3	0	113.9	Y127 N130 K134 Q135 Y136	Y127-K132 CarbonylContact O-C 3.58Å; Y127-K132 WeakPolarHBondContact O-CA 3.34Å; Y127-K132 PolarHBondContact O-N 2.9Å; N130-K132 VanDerWaalsContact C-N 3.27Å; N130-K132 PolarHBondContact O-N 3.2Å; K132-K134 PolarHBondContact O-N 3.23Å; K132-Q135 WeakPolarHBondContact O-CB 3.41Å; K132-Q135 PolarHBondContact O-N 3.3Å; K132-Q135 VanDerWaalsContact O-N 3.16Å; K132-Y136 HydrophobicContact CB-CD2 3.97Å; K132-Y136 HydrophobicContact CB-CE2 4.01Å; K132-Y136 HydrophobicContact CD-CE2 4.19Å; K132-Y136 WeakPolarHBondContact O-CD2 3.47Å; K132-Y136 PolarHBondContact O-N 2.82Å
133	A	84.7	Confident	86.7	Confident	9 Å²	9	75.9 Å²	75.9	7%	0.074	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-49.6	-175.5	0	0	0	0	0	113.8	Y127 V128 Q135 Y136 R137 V138 V143	Y127-A133 PolarHBondContact O-N 3.36Å; V128-A133 HydrophobicContact CG2-CB 4.21Å; A133-Q135 PolarHBondContact O-N 2.86Å; A133-Y136 CarbonylContact O-C 3.54Å; A133-Y136 PolarHBondContact O-N 2.66Å; A133-R137 PolarHBondContact O-N 2.83Å; A133-R137 VanDerWaalsContact O-N 3.12Å; A133-V138 HydrophobicContact CB-CB 4.08Å; A133-V138 PolarHBondContact O-N 2.86Å; A133-V143 HydrophobicContact CB-CG2 3.49Å; A133-V143 VanDerWaalsContact CB-CG2 3.49Å
134	K	84.5	Confident	87.2	Confident	180 Å²	180	78.7 Å²	78.7	78%	0.783	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-41.1	-179.1	-67.1	-172.3	177.6	-175.7	0	112.5	K132 Y136 R137	K132-K134 PolarHBondContact O-N 3.23Å; K134-Y136 PolarHBondContact O-N 3.07Å; K134-R137 PolarHBondContact O-N 2.75Å
135	Q	85.2	Confident	87.4	Confident	135 Å²	135	82.2 Å²	82.2	63%	0.631	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-39.6	178.3	-176.5	-176.4	-1.5	0	0	111.5	K132 A133	K132-Q135 WeakPolarHBondContact O-CB 3.41Å; K132-Q135 PolarHBondContact O-N 3.3Å; K132-Q135 VanDerWaalsContact O-N 3.16Å; A133-Q135 PolarHBondContact O-N 2.86Å
136	Y	87.9	Confident	87.6	Confident	104 Å²	104	82.2 Å²	82.2	41%	0.408	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	17	178.6	-66.1	-79.9	0	0	0	113.5	Y127 K132 A133 K134 V138	Y127-Y136 AromaticContact CD1-CD2 3.55Å; Y127-Y136 HydrophobicContact CD1-CD2 3.55Å; Y127-Y136 AromaticContact CD1-CE2 3.62Å; Y127-Y136 HydrophobicContact CD1-CE2 3.62Å; Y127-Y136 HydrophobicContact CD1-CG 4.21Å; Y127-Y136 HydrophobicContact CD2-CD1 4.22Å; Y127-Y136 AromaticContact CD2-CD2 3.71Å; Y127-Y136 HydrophobicContact CD2-CD2 3.71Å; Y127-Y136 HydrophobicContact CD2-CE2 4.46Å; Y127-Y136 AromaticContact CD2-CG 3.57Å; Y127-Y136 HydrophobicContact CD2-CG 3.57Å; Y127-Y136 HydrophobicContact CE1-CD1 4.33Å; Y127-Y136 AromaticContact CE1-CD2 3.68Å; Y127-Y136 HydrophobicContact CE1-CD2 3.68Å; Y127-Y136 HydrophobicContact CE1-CE1 4.11Å; Y127-Y136 AromaticContact CE1-CE2 3.43Å; Y127-Y136 HydrophobicContact CE1-CE2 3.43Å; Y127-Y136 VanDerWaalsContact CE1-CE2 3.43Å; Y127-Y136 HydrophobicContact CE1-CG 4.13Å; Y127-Y136 AromaticContact CE1-CZ 3.66Å; Y127-Y136 AromaticContact CE2-CD1 3.6Å; Y127-Y136 HydrophobicContact CE2-CD1 3.6Å; Y127-Y136 AromaticContact CE2-CD2 3.82Å; Y127-Y136 HydrophobicContact CE2-CD2 3.82Å; Y127-Y136 HydrophobicContact CE2-CE1 4.1Å; Y127-Y136 HydrophobicContact CE2-CE2 4.29Å; Y127-Y136 AromaticContact CE2-CG 3.44Å; Y127-Y136 HydrophobicContact CE2-CG 3.44Å; Y127-Y136 VanDerWaalsContact CE2-CG 3.44Å; Y127-Y136 AromaticContact CG-CD2 3.57Å; Y127-Y136 HydrophobicContact CG-CD2 3.57Å; Y127-Y136 HydrophobicContact CG-CE2 4.15Å; Y127-Y136 AromaticContact CG-CG 3.96Å; Y127-Y136 HydrophobicContact CG-CG 3.96Å; Y127-Y136 AromaticContact CZ-CD1 3.67Å; Y127-Y136 AromaticContact CZ-CD2 3.81Å; Y127-Y136 AromaticContact CZ-CE1 3.65Å; Y127-Y136 AromaticContact CZ-CE2 3.79Å; Y127-Y136 AromaticContact CZ-CG 3.75Å; Y127-Y136 AromaticContact CZ-CZ 3.71Å; K132-Y136 HydrophobicContact CB-CD2 3.97Å; K132-Y136 HydrophobicContact CB-CE2 4.01Å; K132-Y136 HydrophobicContact CD-CE2 4.19Å; K132-Y136 WeakPolarHBondContact O-CD2 3.47Å; K132-Y136 PolarHBondContact O-N 2.82Å; A133-Y136 CarbonylContact O-C 3.54Å; A133-Y136 PolarHBondContact O-N 2.66Å; K134-Y136 PolarHBondContact O-N 3.07Å; Y136-V138 PolarHBondContact O-N 2.85Å
137	R	90.8	Very high	87.9	Confident	232 Å²	232	84.5 Å²	84.5	88%	0.875	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	34.1	175.7	-54.2	178.4	-178.6	173.6	-0.7	113.7	A133 K134 S139	A133-R137 PolarHBondContact O-N 2.83Å; A133-R137 VanDerWaalsContact O-N 3.12Å; K134-R137 PolarHBondContact O-N 2.75Å; R137-S139 PolarHBondContact O-N 2.81Å
138	V	89.5	Confident	88	Confident	20 Å²	20	83.2 Å²	83.2	12%	0.121	42%	0.415	C	S	.	.			trans	-71	126.4	173.2	-177.4	0	0	0	0	108.4	T124 V128 A133 Y136 T142 V143	T124-V138 HydrophobicContact CG2-CG1 3.97Å; T124-V138 HydrophobicContact CG2-CG2 4.18Å; V128-V138 HydrophobicContact CG2-CG1 3.89Å; A133-V138 HydrophobicContact CB-CB 4.08Å; A133-V138 PolarHBondContact O-N 2.86Å; Y136-V138 PolarHBondContact O-N 2.85Å; V138-T142 HydrophobicContact CG1-CG2 3.69Å; V138-V143 HydrophobicContact CB-CG2 4.44Å; V138-V143 HydrophobicContact CG1-CG2 4.08Å
139	S	92.7	Very high	87.9	Confident	61 Å²	61	83.4 Å²	83.4	43%	0.427	42%	0.416	S	S	.	.			trans	-61.7	148.1	-177.3	80.5	0	0	0	0	112.4	R137 K141 T142 V143	R137-S139 PolarHBondContact O-N 2.81Å; S139-K141 PolarHBondContact O-N 3.27Å; S139-T142 WeakPolarHBondContact O-CA 3.01Å; S139-T142 WeakPolarHBondContact O-CB 3.26Å; S139-T142 PolarHBondContact O-N 2.79Å; S139-T142 PolarHBondContact OG-N 2.93Å; S139-T142 PolarHBondContact OG-OG1 3.07Å; S139-V143 WeakPolarHBondContact O-CG2 3.29Å; S139-V143 PolarHBondContact O-N 2.81Å
140	D	91.7	Very high	87.8	Confident	124 Å²	124	82.9 Å²	82.9	66%	0.663	41%	0.414	S	S	*	.	H	α-helix	trans	-57.6	-37.4	179.1	-66	-32.9	0	0	0	112	T142 V143 E144	D140-T142 VanDerWaalsContact C-N 3.31Å; D140-T142 PolarHBondContact O-N 2.81Å; D140-V143 WeakPolarHBondContact O-CB 3.22Å; D140-V143 PolarHBondContact O-N 3.12Å; D140-E144 WeakPolarHBondContact O-CB 3.26Å; D140-E144 PolarHBondContact O-N 2.88Å
141	K	93.7	Very high	87.9	Confident	173 Å²	173	87.4 Å²	87.4	75%	0.752	43%	0.425	S	S	*	.	H	α-helix	trans	-59.1	-40.9	173.5	-175.6	177.1	-178.9	177.1	0	112.3	S139 K145	S139-K141 PolarHBondContact O-N 3.27Å; K141-K145 WeakPolarHBondContact O-CB 3.36Å; K141-K145 PolarHBondContact O-N 3.26Å; K141-K145 VanDerWaalsContact O-N 3.16Å
142	T	92.7	Very high	87.7	Confident	38 Å²	38	89.5 Å²	89.5	23%	0.233	42%	0.417	C	S	.	.	H	α-helix	trans	-70.9	-39.5	176.3	-53.8	0	0	0	0	111.5	V120 T124 V138 S139 D140 K145 V146	V120-T142 HydrophobicContact CG1-CG2 3.48Å; V120-T142 VanDerWaalsContact CG1-CG2 3.48Å; T124-T142 HydrophobicContact CG2-CG2 4.01Å; V138-T142 HydrophobicContact CG1-CG2 3.69Å; S139-T142 WeakPolarHBondContact O-CA 3.01Å; S139-T142 WeakPolarHBondContact O-CB 3.26Å; S139-T142 PolarHBondContact O-N 2.79Å; S139-T142 PolarHBondContact OG-N 2.93Å; S139-T142 PolarHBondContact OG-OG1 3.07Å; D140-T142 VanDerWaalsContact C-N 3.31Å; D140-T142 PolarHBondContact O-N 2.81Å; T142-K145 PolarHBondContact O-N 3.23Å; T142-V146 WeakPolarHBondContact O-CG2 3.48Å; T142-V146 PolarHBondContact O-N 2.95Å
143	V	91.8	Very high	87.3	Confident	36 Å²	36	87.6 Å²	87.6	22%	0.218	41%	0.409	C	S	.	.	H	α-helix	trans	-58.6	-50.5	175.3	172.6	0	0	0	0	110.4	V128 A133 V138 S139 D140 K145 V146 M147	V128-V143 HydrophobicContact CG1-CB 4.4Å; V128-V143 HydrophobicContact CG1-CG1 4.02Å; V128-V143 HydrophobicContact CG2-CG2 4.15Å; A133-V143 HydrophobicContact CB-CG2 3.49Å; A133-V143 VanDerWaalsContact CB-CG2 3.49Å; V138-V143 HydrophobicContact CB-CG2 4.44Å; V138-V143 HydrophobicContact CG1-CG2 4.08Å; S139-V143 WeakPolarHBondContact O-CG2 3.29Å; S139-V143 PolarHBondContact O-N 2.81Å; D140-V143 WeakPolarHBondContact O-CB 3.22Å; D140-V143 PolarHBondContact O-N 3.12Å; V143-K145 VanDerWaalsContact C-N 3.35Å; V143-K145 PolarHBondContact O-N 3.46Å; V143-V146 PolarHBondContact O-N 3.14Å; V143-M147 HydrophobicContact CG1-CG 4.27Å; V143-M147 WeakPolarHBondContact O-CB 3.31Å; V143-M147 VanDerWaalsContact O-CG 3.31Å; V143-M147 WeakPolarHBondContact O-CG 3.42Å; V143-M147 PolarHBondContact O-N 3.31Å
144	E	92.9	Very high	86.4	Confident	133 Å²	133	92.9 Å²	92.9	62%	0.621	44%	0.436	S	S	*	.	H	α-helix	trans	-59.8	-44.7	179.5	-173.2	177.2	-163.9	0	0	111.7	D140 V146 M147 A148	D140-E144 WeakPolarHBondContact O-CB 3.26Å; D140-E144 PolarHBondContact O-N 2.88Å; E144-V146 PolarHBondContact O-N 3.3Å; E144-M147 PolarHBondContact O-N 3.38Å; E144-A148 WeakPolarHBondContact O-CB 3.34Å; E144-A148 PolarHBondContact O-N 3.31Å
145	K	92.6	Very high	85.7	Confident	108 Å²	108	86.4 Å²	86.4	47%	0.47	41%	0.407	S	S	.	.	H	α-helix	trans	-60.1	-45	177.8	-169.9	176.7	-179.8	-158.6	0	112.2	A118 K141 T142 V143 V149	A118-K145 HydrophobicContact CB-CG 4.33Å; A118-K145 WeakPolarHBondContact O-CD 3.25Å; A118-K145 WeakPolarHBondContact O-CE 3.23Å; A118-K145 PolarHBondContact O-NZ 3.1Å; K141-K145 WeakPolarHBondContact O-CB 3.36Å; K141-K145 PolarHBondContact O-N 3.26Å; K141-K145 VanDerWaalsContact O-N 3.16Å; T142-K145 PolarHBondContact O-N 3.23Å; V143-K145 VanDerWaalsContact C-N 3.35Å; V143-K145 PolarHBondContact O-N 3.46Å; K145-V149 WeakPolarHBondContact O-CG2 3.34Å; K145-V149 PolarHBondContact O-N 2.98Å
146	V	90.1	Very high	84.8	Confident	0 Å²	0	86.5 Å²	86.5	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-66.2	-45.6	176.6	174.2	0	0	0	0	110.9	I114 A118 V120 A125 V128 I129 T142 V143 E144 A148 V149 V150	I114-V146 HydrophobicContact CG2-CG1 4.04Å; A118-V146 HydrophobicContact CB-CB 4.2Å; A118-V146 HydrophobicContact CB-CG2 3.58Å; V120-V146 HydrophobicContact CG1-CG2 4.2Å; V120-V146 HydrophobicContact CG2-CG2 3.77Å; A125-V146 HydrophobicContact CB-CG1 4.49Å; V128-V146 HydrophobicContact CB-CB 4.08Å; V128-V146 HydrophobicContact CB-CG1 3.83Å; V128-V146 HydrophobicContact CB-CG2 4.44Å; V128-V146 HydrophobicContact CG1-CB 3.81Å; V128-V146 HydrophobicContact CG1-CG1 3.76Å; V128-V146 HydrophobicContact CG2-CB 4.28Å; V128-V146 HydrophobicContact CG2-CG1 4.48Å; V128-V146 HydrophobicContact CG2-CG2 4.2Å; I129-V146 HydrophobicContact CG1-CG1 4.18Å; T142-V146 WeakPolarHBondContact O-CG2 3.48Å; T142-V146 PolarHBondContact O-N 2.95Å; V143-V146 PolarHBondContact O-N 3.14Å; E144-V146 PolarHBondContact O-N 3.3Å; V146-A148 VanDerWaalsContact C-N 3.28Å; V146-A148 PolarHBondContact O-N 2.93Å; V146-V149 PolarHBondContact O-N 3.3Å; V146-V150 HydrophobicContact CG1-CG2 4.27Å; V146-V150 VanDerWaalsContact O-CG2 3.29Å; V146-V150 WeakPolarHBondContact O-CG2 3.48Å; V146-V150 PolarHBondContact O-N 2.98Å
147	M	88.7	Confident	83.8	Confident	69 Å²	69	84.6 Å²	84.6	34%	0.34	41%	0.408	S	S	.	.	H	α-helix	trans	-68.7	-24.7	-179.2	-68.4	-57	-65.3	0	0	113.3	V128 V143 E144 R151	V128-M147 HydrophobicContact CG1-CG 3.85Å; V128-M147 HydrophobicContact CG1-SD 3.93Å; V143-M147 HydrophobicContact CG1-CG 4.27Å; V143-M147 WeakPolarHBondContact O-CB 3.31Å; V143-M147 VanDerWaalsContact O-CG 3.31Å; V143-M147 WeakPolarHBondContact O-CG 3.42Å; V143-M147 PolarHBondContact O-N 3.31Å; E144-M147 PolarHBondContact O-N 3.38Å; M147-R151 WeakPolarHBondContact O-CB 3.35Å; M147-R151 WeakPolarHBondContact O-CG 3.48Å; M147-R151 PolarHBondContact O-N 2.92Å; M147-R151 VanDerWaalsContact O-N 3.12Å; M147-R151 PolarHBondContact O-NE 2.78Å; M147-R151 VanDerWaalsContact O-NE 3.15Å
148	A	86.4	Confident	82.4	Confident	39 Å²	39	78.1 Å²	78.1	32%	0.322	39%	0.39	S	S	.	.	H	α-helix	trans	-65	-49.1	170.3	0	0	0	0	0	110.9	E144 V146 V150 R151 E152	E144-A148 WeakPolarHBondContact O-CB 3.34Å; E144-A148 PolarHBondContact O-N 3.31Å; V146-A148 VanDerWaalsContact C-N 3.28Å; V146-A148 PolarHBondContact O-N 2.93Å; A148-V150 PolarHBondContact O-N 2.92Å; A148-R151 PolarHBondContact O-N 3.42Å; A148-E152 WeakPolarHBondContact O-CB 3.39Å; A148-E152 PolarHBondContact O-N 3.41Å
149	V	84.5	Confident	81.1	Confident	12 Å²	12	80.7 Å²	80.7	7%	0.073	41%	0.414	C	S	.	.	H	α-helix	trans	-62.9	-42	176.6	179.1	0	0	0	0	111.4	I114 L117 A118 K145 V146 R151 E152 H153	I114-V149 HydrophobicContact CD1-CG1 3.69Å; I114-V149 HydrophobicContact CG2-CG1 4.27Å; L117-V149 HydrophobicContact CB-CB 4.45Å; L117-V149 HydrophobicContact CB-CG1 3.57Å; L117-V149 HydrophobicContact CB-CG2 3.97Å; L117-V149 HydrophobicContact CD1-CG1 3.73Å; L117-V149 HydrophobicContact CG-CG1 4.32Å; A118-V149 HydrophobicContact CB-CG2 4.16Å; K145-V149 WeakPolarHBondContact O-CG2 3.34Å; K145-V149 PolarHBondContact O-N 2.98Å; V146-V149 PolarHBondContact O-N 3.3Å; V149-R151 VanDerWaalsContact C-N 3.3Å; V149-R151 PolarHBondContact O-N 3.16Å; V149-E152 PolarHBondContact O-N 2.73Å; V149-H153 WeakPolarHBondContact O-CB 3.36Å; V149-H153 PolarHBondContact O-CD2 2.9Å; V149-H153 VanDerWaalsContact O-CD2 3.32Å; V149-H153 PolarHBondContact O-N 3.28Å
150	V	82.3	Confident	79.6	Confident	17 Å²	17	82.5 Å²	82.5	10%	0.103	42%	0.422	C	S	.	.	H	α-helix	trans	-57.9	-44.1	176.5	170.7	0	0	0	0	111.4	I114 I129 V146 A148 N154 Y155	I114-V150 HydrophobicContact CG2-CG2 3.78Å; I129-V150 HydrophobicContact CD1-CG2 3.86Å; I129-V150 HydrophobicContact CG1-CG2 3.7Å; V146-V150 HydrophobicContact CG1-CG2 4.27Å; V146-V150 VanDerWaalsContact O-CG2 3.29Å; V146-V150 WeakPolarHBondContact O-CG2 3.48Å; V146-V150 PolarHBondContact O-N 2.98Å; A148-V150 PolarHBondContact O-N 2.92Å; V150-N154 WeakPolarHBondContact O-CA 3.27Å; V150-N154 PolarHBondContact O-N 3.47Å; V150-Y155 WeakPolarHBondContact CG1-O 3.36Å; V150-Y155 PolarHBondContact O-N 2.87Å
151	R	79.8	Confident	78	Confident	173 Å²	173	78.5 Å²	78.5	65%	0.653	41%	0.406	S	S	*	.	H	α-helix	trans	-69.3	-46.3	177.1	-75	-179.5	-70.2	153.8	-4.8	112.1	M147 A148 V149 H153 N154	M147-R151 WeakPolarHBondContact O-CB 3.35Å; M147-R151 WeakPolarHBondContact O-CG 3.48Å; M147-R151 PolarHBondContact O-N 2.92Å; M147-R151 VanDerWaalsContact O-N 3.12Å; M147-R151 PolarHBondContact O-NE 2.78Å; M147-R151 VanDerWaalsContact O-NE 3.15Å; A148-R151 PolarHBondContact O-N 3.42Å; V149-R151 VanDerWaalsContact C-N 3.3Å; V149-R151 PolarHBondContact O-N 3.16Å; R151-H153 PolarHBondContact O-N 3.46Å; R151-N154 PolarHBondContact O-N 3.49Å
152	E	76.8	Confident	76.4	Confident	114 Å²	114	72.1 Å²	72.1	53%	0.533	39%	0.386	S	S	.	.	H	α-helix	trans	-57.8	-39.4	179.1	-177.4	173.7	-169.8	0	0	111.6	R27 A148 V149	R27-E152 IonicContact CZ-OE1 3.86Å; R27-E152 IonicContact NH1-OE1 3.05Å; R27-E152 PolarHBondContact NH1-OE1 3.22Å; R27-E152 IonicContact NH2-OE1 3.96Å; A148-E152 WeakPolarHBondContact O-CB 3.39Å; A148-E152 PolarHBondContact O-N 3.41Å; V149-E152 PolarHBondContact O-N 2.73Å
153	H	73.8	Confident	74.8	Confident	62 Å²	62	70.6 Å²	70.6	29%	0.287	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	6.3	-178.3	-69	-84.5	0	0	0	114.3	I114 L117 V149 R151 Y155	I114-H153 HydrophobicContact CD1-CB 4.34Å; L117-H153 WeakPolarHBondContact CD1-NE2 3.47Å; V149-H153 WeakPolarHBondContact O-CB 3.36Å; V149-H153 PolarHBondContact O-CD2 2.9Å; V149-H153 VanDerWaalsContact O-CD2 3.32Å; V149-H153 PolarHBondContact O-N 3.28Å; R151-H153 PolarHBondContact O-N 3.46Å; H153-Y155 PolarHBondContact O-N 3.04Å; H153-Y155 VanDerWaalsContact O-N 3.08Å
154	N	65.4	Low	73.1	Confident	120 Å²	120	74.7 Å²	74.7	64%	0.642	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	36.9	-176.8	-161.6	33.8	0	0	0	113.3	V150 R151 H156	V150-N154 WeakPolarHBondContact O-CA 3.27Å; V150-N154 PolarHBondContact O-N 3.47Å; R151-N154 PolarHBondContact O-N 3.49Å; N154-H156 PolarHBondContact O-N 3.22Å; N154-H156 PolarHBondContact O-ND1 3.42Å; N154-H156 PolarHBondContact OD1-CE1 3.48Å; N154-H156 VanDerWaalsContact OD1-CE1 3.23Å
155	Y	71.2	Confident	71.4	Confident	45 Å²	45	75.7 Å²	75.7	18%	0.176	40%	0.396	C	S	.	.			trans	-74.5	124.9	-173.7	177.3	-93.2	0	0	0	110.8	L111 I114 I129 V150 H153	L111-Y155 HydrophobicContact CD1-CE1 4.5Å; I114-Y155 HydrophobicContact CD1-CD2 4.35Å; I114-Y155 HydrophobicContact CD1-CG 3.95Å; I114-Y155 HydrophobicContact CG1-CD1 4.05Å; I114-Y155 HydrophobicContact CG1-CD2 4Å; I114-Y155 HydrophobicContact CG1-CE2 4.5Å; I114-Y155 HydrophobicContact CG1-CG 3.76Å; I129-Y155 HydrophobicContact CD1-CD1 4.02Å; I129-Y155 HydrophobicContact CD1-CE1 3.85Å; I129-Y155 HydrophobicContact CG2-CE1 4.32Å; V150-Y155 WeakPolarHBondContact CG1-O 3.36Å; V150-Y155 PolarHBondContact O-N 2.87Å; H153-Y155 PolarHBondContact O-N 3.04Å; H153-Y155 VanDerWaalsContact O-N 3.08Å
156	H	64.7	Low	70.1	Confident	136 Å²	136	74 Å²	74	63%	0.63	40%	0.402	S	S	*	.			trans	-114.7	127.3	173.6	-66.6	82	0	0	0	109.6	N154 N158	N154-H156 PolarHBondContact O-N 3.22Å; N154-H156 PolarHBondContact O-ND1 3.42Å; N154-H156 PolarHBondContact OD1-CE1 3.48Å; N154-H156 VanDerWaalsContact OD1-CE1 3.23Å; H156-N158 PolarHBondContact O-N 2.7Å
157	P	66.9	Low	69.1	Low	65 Å²	65	77 Å²	77	42%	0.422	43%	0.434	S	S	.	.			trans	-59	129	173	20.4	-28.2	0	0	0	110.3	I129 A159	I129-P157 HydrophobicContact CG2-CB 4.12Å; I129-P157 HydrophobicContact CG2-CG 3.83Å; P157-A159 PolarHBondContact O-N 2.97Å
158	N	62.9	Low	68.5	Low	95 Å²	95	78 Å²	78	51%	0.508	43%	0.434	S	S	.	.			trans	-76	109.1	177.3	-179.3	-27.1	0	0	0	109.6	H156 V160 A161 A162	H156-N158 PolarHBondContact O-N 2.7Å; N158-V160 VanDerWaalsContact C-N 3.3Å; N158-V160 PolarHBondContact O-N 2.8Å; N158-V160 WeakPolarHBondContact OD1-CA 3.38Å; N158-V160 WeakPolarHBondContact OD1-CB 3.38Å; N158-V160 PolarHBondContact OD1-N 3.33Å; N158-A161 HydrophobicContact CB-CB 3.98Å; N158-A161 PolarHBondContact O-N 3.18Å; N158-A161 PolarHBondContact OD1-N 2.86Å; N158-A161 VanDerWaalsContact OD1-N 3.1Å; N158-A162 PolarHBondContact O-N 3.17Å
159	A	62.1	Low	68.5	Low	75 Å²	75	78.2 Å²	78.2	62%	0.62	43%	0.431	S	S	*	.	H	α-helix	trans	-58.4	-38.3	-179.8	0	0	0	0	0	112.8	P157 A162 G163	P157-A159 PolarHBondContact O-N 2.97Å; A159-A162 PolarHBondContact O-N 3.15Å; A159-G163 PolarHBondContact O-N 3.05Å
160	V	60.1	Low	68.7	Low	98 Å²	98	83.8 Å²	83.8	59%	0.594	45%	0.45	S	S	*	.	H	α-helix	trans	-64.1	-46	176.8	-177.2	0	0	0	0	110.6	N158 A162 G163 L164	N158-V160 VanDerWaalsContact C-N 3.3Å; N158-V160 PolarHBondContact O-N 2.8Å; N158-V160 WeakPolarHBondContact OD1-CA 3.38Å; N158-V160 WeakPolarHBondContact OD1-CB 3.38Å; N158-V160 PolarHBondContact OD1-N 3.33Å; V160-A162 VanDerWaalsContact C-N 3.32Å; V160-A162 PolarHBondContact O-N 3.45Å; V160-G163 PolarHBondContact O-N 3.07Å; V160-L164 HydrophobicContact CG1-CD1 4.25Å; V160-L164 WeakPolarHBondContact O-CG 3.23Å; V160-L164 PolarHBondContact O-N 3.09Å
161	A	58.9	Low	69.3	Low	41 Å²	41	83.4 Å²	83.4	34%	0.339	45%	0.448	S	S	.	.	H	α-helix	trans	-69.8	-29.1	178	0	0	0	0	0	113	N158 R165	N158-A161 HydrophobicContact CB-CB 3.98Å; N158-A161 PolarHBondContact O-N 3.18Å; N158-A161 PolarHBondContact OD1-N 2.86Å; N158-A161 VanDerWaalsContact OD1-N 3.1Å; A161-R165 PolarHBondContact O-NE 2.86Å
162	A	59.9	Low	70.1	Confident	38 Å²	38	75.2 Å²	75.2	31%	0.314	42%	0.417	S	S	.	.	H	α-helix	trans	-68.8	-43.6	170.2	0	0	0	0	0	110.8	N158 A159 V160 R165 A166	N158-A162 PolarHBondContact O-N 3.17Å; A159-A162 PolarHBondContact O-N 3.15Å; V160-A162 VanDerWaalsContact C-N 3.32Å; V160-A162 PolarHBondContact O-N 3.45Å; A162-R165 PolarHBondContact O-N 2.76Å; A162-A166 PolarHBondContact O-N 3.48Å
163	G	58.7	Low	71.1	Confident	7 Å²	7	69.8 Å²	69.8	7%	0.072	39%	0.392	C	S	.	.	H	α-helix	trans	-68	-41	-179.2	0	0	0	0	0	113.6	A159 V160 R165 A166 G167 R168	A159-G163 PolarHBondContact O-N 3.05Å; V160-G163 PolarHBondContact O-N 3.07Å; G163-R165 PolarHBondContact O-N 3.05Å; G163-A166 CarbonylContact O-C 3.58Å; G163-A166 PolarHBondContact O-N 3.38Å; G163-A166 VanDerWaalsContact O-N 3.12Å; G163-G167 WeakPolarHBondContact O-CA 3.48Å; G163-G167 PolarHBondContact O-N 3.46Å; G163-R168 WeakPolarHBondContact CA-O 3.47Å; G163-R168 PolarHBondContact O-N 3.16Å; G163-R168 VanDerWaalsContact O-N 3.13Å
164	L	56.1	Low	72.3	Confident	122 Å²	122	66.8 Å²	66.8	64%	0.639	38%	0.378	S	S	*	.	H	α-helix	trans	-58.1	-34.7	172.9	-74.4	170.6	0	0	0	112.8	V160	V160-L164 HydrophobicContact CG1-CD1 4.25Å; V160-L164 WeakPolarHBondContact O-CG 3.23Å; V160-L164 PolarHBondContact O-N 3.09Å
165	R	56.7	Low	73.9	Confident	153 Å²	153	61.1 Å²	61.1	58%	0.577	35%	0.348	S	S	*	.	H	α-helix	trans	-75.7	-36.1	175.8	-75.4	-175.5	-71	164.2	-1.7	112.8	A161 A162 G163	A161-R165 PolarHBondContact O-NE 2.86Å; A162-R165 PolarHBondContact O-N 2.76Å; G163-R165 PolarHBondContact O-N 3.05Å
166	A	65.4	Low	75.2	Confident	73 Å²	73	59 Å²	59	60%	0.603	34%	0.34	S	S	*	.	H	α-helix	trans	-86.4	-12.2	-178.2	0	0	0	0	0	113.4	A162 G163 R168	A162-A166 PolarHBondContact O-N 3.48Å; G163-A166 CarbonylContact O-C 3.58Å; G163-A166 PolarHBondContact O-N 3.38Å; G163-A166 VanDerWaalsContact O-N 3.12Å; A166-R168 PolarHBondContact O-N 3.14Å
167	G	69.4	Low	76.5	Confident	64 Å²	64	52.6 Å²	52.6	66%	0.66	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	14.9	-169.2	0	0	0	0	0	113.9	G163	G163-G167 WeakPolarHBondContact O-CA 3.48Å; G163-G167 PolarHBondContact O-N 3.46Å
168	R	77.5	Confident	77.7	Confident	90 Å²	90	52.3 Å²	52.3	34%	0.34	31%	0.305	S	S	.	.			trans	-141.5	128.3	-174.9	-66.5	-66	-167.7	-175.5	2.5	110.7	G163 A166 R170 D227 L416	G163-R168 WeakPolarHBondContact CA-O 3.47Å; G163-R168 PolarHBondContact O-N 3.16Å; G163-R168 VanDerWaalsContact O-N 3.13Å; A166-R168 PolarHBondContact O-N 3.14Å; R168-R170 VanDerWaalsContact C-N 3.33Å; R168-D227 VanDerWaalsContact CA-OD1 3.25Å; R168-D227 WeakPolarHBondContact CA-OD1 3.45Å; R168-D227 WeakPolarHBondContact CD-OD1 3.3Å; R168-L416 VanDerWaalsContact NH1-CD2 3.29Å; R168-L416 PolarHBondContact NH2-O 2.93Å; R168-L416 VanDerWaalsContact NH2-O 3.07Å
169	T	85.4	Confident	79.1	Confident	42 Å²	42	52.2 Å²	52.2	26%	0.258	30%	0.304	S	S	.	.			trans	-84.1	-11.2	-178	58	0	0	0	0	113.6	S171 Q225 D227	T169-S171 VanDerWaalsContact C-N 3.26Å; T169-S171 PolarHBondContact OG1-OG 2.99Å; T169-Q225 WeakPolarHBondContact CB-O 3.39Å; T169-Q225 HydrophobicContact CG2-CB 3.84Å; T169-Q225 WeakPolarHBondContact CG2-O 3.43Å; T169-Q225 PolarHBondContact OG1-O 2.93Å; T169-D227 PolarHBondContact N-OD1 3.02Å; T169-D227 PolarHBondContact N-OD2 3.11Å
170	R	89.3	Confident	80.4	Confident	130 Å²	130	57 Å²	57	49%	0.491	31%	0.314	S	S	.	.			trans	58.4	40.1	-170.5	-64.7	-72.6	-173.3	151.9	-3.1	111.4	R168 G199 Y200 Q201 D227	R168-R170 VanDerWaalsContact C-N 3.33Å; R170-G199 WeakPolarHBondContact CB-O 3.46Å; R170-Y200 HydrophobicContact CB-CD1 4.45Å; R170-Y200 CarbonylContact O-C 3.55Å; R170-Y200 VanDerWaalsContact O-CA 3.29Å; R170-Y200 WeakPolarHBondContact O-CA 3.36Å; R170-Q201 PolarHBondContact O-N 2.71Å; R170-D227 WeakPolarHBondContact CA-OD2 3.16Å; R170-D227 PolarHBondContact N-OD2 2.94Å
171	S	93.8	Very high	81.7	Confident	8 Å²	8	54.9 Å²	54.9	6%	0.056	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	142.8	177.6	66.8	0	0	0	0	112	T169 Q201 V226 D227	T169-S171 VanDerWaalsContact C-N 3.26Å; T169-S171 PolarHBondContact OG1-OG 2.99Å; S171-Q201 CarbonylContact C-O 3.57Å; S171-Q201 VanDerWaalsContact CA-O 3.24Å; S171-Q201 WeakPolarHBondContact CA-O 3.3Å; S171-V226 WeakPolarHBondContact OG-CA 3.32Å; S171-D227 PolarHBondContact N-OD2 2.97Å; S171-D227 WeakPolarHBondContact O-CB 3.4Å; S171-D227 PolarHBondContact O-N 2.66Å
172	I	97.5	Very high	83.2	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.6	178.2	-62.1	167.8	0	0	0	107	Y200 Q201 L202 L203 I230 L409 V412	I172-Y200 HydrophobicContact CD1-CD1 3.95Å; I172-Y200 HydrophobicContact CD1-CG 4.02Å; I172-Y200 HydrophobicContact CG1-CD1 3.92Å; I172-Y200 HydrophobicContact CG1-CG 4.42Å; I172-Q201 PolarHBondContact N-O 3.14Å; I172-L202 HydrophobicContact CB-CD1 4.11Å; I172-L202 HydrophobicContact CG2-CD1 4.02Å; I172-L202 CarbonylContact O-C 3.59Å; I172-L202 WeakPolarHBondContact O-CA 2.96Å; I172-L203 PolarHBondContact O-N 3.18Å; I172-I230 HydrophobicContact CG2-CD1 3.87Å; I172-I230 HydrophobicContact CG2-CG1 4.19Å; I172-L409 HydrophobicContact CD1-CD1 3.86Å; I172-V412 HydrophobicContact CD1-CG1 3.92Å; I172-V412 HydrophobicContact CG1-CG1 4.31Å
173	G	98.3	Very high	84.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	137.3	171.9	0	0	0	0	0	111.3	L203 A228 I229 I230	G173-L203 CarbonylContact C-O 3.59Å; G173-L203 WeakPolarHBondContact CA-O 3.26Å; G173-A228 PolarHBondContact N-O 2.91Å; G173-I229 CarbonylContact O-C 3.52Å; G173-I229 WeakPolarHBondContact O-CA 3.48Å; G173-I230 PolarHBondContact O-N 3.4Å
174	L	98.7	Very high	86.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.4	169.5	173.9	63.4	0	0	0	108.7	I176 A188 L191 L202 L203 I204 A205 I230 L255	L174-I176 HydrophobicContact CD1-CG2 3.79Å; L174-I176 HydrophobicContact CD2-CG2 4.25Å; L174-I176 HydrophobicContact CG-CG2 3.94Å; L174-A188 HydrophobicContact CD2-CB 3.72Å; L174-L191 HydrophobicContact CD1-CD1 4.32Å; L174-L191 HydrophobicContact CD2-CD1 4.19Å; L174-L202 HydrophobicContact CB-CD1 3.96Å; L174-L202 HydrophobicContact CB-CD2 4.43Å; L174-L202 HydrophobicContact CB-CG 4.21Å; L174-L202 HydrophobicContact CD2-CD2 3.99Å; L174-L203 PolarHBondContact N-O 2.93Å; L174-I204 HydrophobicContact CB-CG1 4.45Å; L174-I204 HydrophobicContact CD2-CG1 4.29Å; L174-I204 HydrophobicContact CD2-CG2 4.46Å; L174-I204 CarbonylContact O-C 3.54Å; L174-I204 WeakPolarHBondContact O-CA 3.25Å; L174-A205 PolarHBondContact O-N 3.13Å; L174-I230 CarbonylContact C-O 3.38Å; L174-I230 VanDerWaalsContact CA-O 3.32Å; L174-I230 WeakPolarHBondContact CA-O 3.32Å; L174-I230 HydrophobicContact CD1-CB 3.83Å; L174-I230 HydrophobicContact CD1-CG2 3.6Å; L174-L255 HydrophobicContact CD1-CD2 4.38Å
175	V	98.5	Very high	88.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.4	172.3	-174.6	0	0	0	0	108.8	A205 E214 C217 I218 L221 I230 V231 S232	V175-A205 WeakPolarHBondContact CA-O 3.42Å; V175-A205 HydrophobicContact CG2-CB 4.4Å; V175-E214 HydrophobicContact CG1-CG 4.26Å; V175-C217 HydrophobicContact CG1-CB 4.2Å; V175-C217 HydrophobicContact CG2-CB 4.12Å; V175-I218 HydrophobicContact CB-CD1 4.4Å; V175-I218 HydrophobicContact CG2-CD1 3.66Å; V175-I218 HydrophobicContact CG2-CG1 4.25Å; V175-L221 HydrophobicContact CG2-CD1 3.54Å; V175-I230 PolarHBondContact N-O 2.89Å; V175-V231 HydrophobicContact CB-CB 4.36Å; V175-V231 HydrophobicContact CB-CG2 3.92Å; V175-V231 HydrophobicContact CG1-CG2 4.32Å; V175-V231 WeakPolarHBondContact O-CA 3.48Å; V175-S232 PolarHBondContact O-N 2.78Å
176	I	97.4	Very high	90.2	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	156	179.1	50.7	171.7	0	0	0	110.7	L174 L179 Y184 I204 A205 C206 S207	L174-I176 HydrophobicContact CD1-CG2 3.79Å; L174-I176 HydrophobicContact CD2-CG2 4.25Å; L174-I176 HydrophobicContact CG-CG2 3.94Å; I176-L179 HydrophobicContact CD1-CD2 3.74Å; I176-L179 HydrophobicContact CG1-CD2 4.38Å; I176-Y184 HydrophobicContact CB-CD1 4.46Å; I176-Y184 HydrophobicContact CB-CG 4.3Å; I176-Y184 HydrophobicContact CG2-CD1 4.19Å; I176-Y184 HydrophobicContact CG2-CG 4.42Å; I176-I204 HydrophobicContact CD1-CG2 4.15Å; I176-I204 HydrophobicContact CG1-CG2 4.21Å; I176-A205 PolarHBondContact N-O 3.06Å; I176-A205 VanDerWaalsContact N-O 3.07Å; I176-C206 CarbonylContact O-C 3.54Å; I176-C206 VanDerWaalsContact O-CA 3.27Å; I176-C206 WeakPolarHBondContact O-CA 3.25Å; I176-S207 PolarHBondContact O-N 3.24Å
177	P	93.4	Very high	91.7	Very high	2 Å²	2	47 Å²	47	1%	0.013	25%	0.245	C	C	.	.	S	Bend	trans	-75.8	-32.9	-173	-17.6	34	0	0	0	113.9	Y184 C206 S207 E208 D209	P177-Y184 HydrophobicContact CB-CE2 4.24Å; P177-Y184 VanDerWaalsContact CD-CE2 3.5Å; P177-Y184 HydrophobicContact CG-CE1 4.43Å; P177-Y184 HydrophobicContact CG-CE2 3.82Å; P177-C206 PolarHBondContact O-SG 2.83Å; P177-S207 WeakPolarHBondContact CA-OG 3.29Å; P177-E208 WeakPolarHBondContact O-CA 3.4Å; P177-E208 PolarHBondContact O-N 2.83Å; P177-D209 HydrophobicContact CB-CB 4.36Å; P177-D209 VanDerWaalsContact CB-CG 3.49Å; P177-D209 WeakPolarHBondContact CB-OD1 3.29Å
178	D	91.2	Very high	93	Very high	58 Å²	58	44.4 Å²	44.4	31%	0.31	22%	0.217	S	C	.	.			trans	-148.7	124.3	-170.7	178.9	7.8	0	0	0	110.3	E180 N181	D178-E180 WeakPolarHBondContact OD1-CA 3.02Å; D178-E180 WeakPolarHBondContact OD1-CB 3.35Å; D178-E180 PolarHBondContact OD1-N 2.75Å; D178-N181 HydrophobicContact CB-CB 3.95Å; D178-N181 PolarHBondContact OD1-N 2.69Å; D178-N181 WeakPolarHBondContact OD2-CB 3.25Å; D178-N181 PolarHBondContact OD2-N 2.91Å
179	L	92.7	Very high	94	Very high	94 Å²	94	44.7 Å²	44.7	49%	0.492	23%	0.225	S	C	.	.	S	Bend	trans	-84	-8.8	177.6	-74.6	170.5	0	0	0	113.4	I176 T185 I204 C206	I176-L179 HydrophobicContact CD1-CD2 3.74Å; I176-L179 HydrophobicContact CG1-CD2 4.38Å; L179-T185 WeakPolarHBondContact O-CG2 3.22Å; L179-I204 HydrophobicContact CD2-CG2 4.01Å; L179-C206 HydrophobicContact CD1-CB 3.83Å; L179-C206 HydrophobicContact CG-CB 4.05Å
180	E	89.1	Confident	94.6	Very high	176 Å²	176	45.9 Å²	45.9	82%	0.822	23%	0.225	S	C	*	.	S	Bend	trans	-96	-20.5	175.6	-56.7	-169.7	178.1	0	0	111.4	D178 T182	D178-E180 WeakPolarHBondContact OD1-CA 3.02Å; D178-E180 WeakPolarHBondContact OD1-CB 3.35Å; D178-E180 PolarHBondContact OD1-N 2.75Å; E180-T182 PolarHBondContact O-N 2.8Å
181	N	88.5	Confident	95	Very high	52 Å²	52	39.8 Å²	39.8	28%	0.278	20%	0.203	S	C	.	.			trans	-64.9	119.8	174.7	-167.3	-56.4	0	0	0	111.7	D178 S183 Y184 T185	D178-N181 HydrophobicContact CB-CB 3.95Å; D178-N181 PolarHBondContact OD1-N 2.69Å; D178-N181 WeakPolarHBondContact OD2-CB 3.25Å; D178-N181 PolarHBondContact OD2-N 2.91Å; N181-S183 PolarHBondContact O-N 3.29Å; N181-S183 VanDerWaalsContact OD1-CB 3.3Å; N181-S183 WeakPolarHBondContact OD1-CB 3.36Å; N181-S183 PolarHBondContact OD1-N 3.23Å; N181-Y184 HydrophobicContact CB-CD2 3.68Å; N181-Y184 HydrophobicContact CB-CE2 4.34Å; N181-Y184 PolarHBondContact O-N 3.47Å; N181-T185 WeakPolarHBondContact O-CG2 3.41Å; N181-T185 PolarHBondContact O-N 3.26Å; N181-T185 VanDerWaalsContact O-N 3.09Å; N181-T185 PolarHBondContact O-OG1 2.92Å
182	T	90.1	Very high	95.2	Very high	78 Å²	78	42.2 Å²	42.2	48%	0.479	21%	0.213	S	C	.	.	H	α-helix	trans	-62.2	-28.8	-177.5	-60.1	0	0	0	0	113.3	E180 T185 R186	E180-T182 PolarHBondContact O-N 2.8Å; T182-T185 VanDerWaalsContact CA-OG1 3.27Å; T182-T185 WeakPolarHBondContact CA-OG1 3.33Å; T182-T185 PolarHBondContact O-OG1 3.25Å; T182-R186 HydrophobicContact CG2-CG 4.26Å; T182-R186 VanDerWaalsContact O-CB 3.31Å; T182-R186 WeakPolarHBondContact O-CB 3.26Å; T182-R186 WeakPolarHBondContact O-CD 3.28Å; T182-R186 WeakPolarHBondContact O-CG 3.35Å; T182-R186 PolarHBondContact O-N 3.32Å; T182-R186 VanDerWaalsContact O-N 3.11Å
183	S	91.8	Very high	95.2	Very high	29 Å²	29	46.9 Å²	46.9	20%	0.203	23%	0.231	C	C	.	.	H	α-helix	trans	-68.4	-52.1	178.8	-165.4	0	0	0	0	111.3	N181 R186 I187 Q399	N181-S183 PolarHBondContact O-N 3.29Å; N181-S183 VanDerWaalsContact OD1-CB 3.3Å; N181-S183 WeakPolarHBondContact OD1-CB 3.36Å; N181-S183 PolarHBondContact OD1-N 3.23Å; S183-R186 PolarHBondContact O-N 2.81Å; S183-I187 WeakPolarHBondContact O-CG1 3.18Å; S183-I187 PolarHBondContact O-N 2.99Å; S183-I187 VanDerWaalsContact O-N 3.09Å; S183-Q399 PolarHBondContact OG-OE1 3.49Å
184	Y	94.8	Very high	95.1	Very high	15 Å²	15	47.6 Å²	47.6	6%	0.059	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-43.3	179.8	-64.5	-54.1	0	0	0	111.9	I176 P177 N181 R186 I187 A188 S232 D256	I176-Y184 HydrophobicContact CB-CD1 4.46Å; I176-Y184 HydrophobicContact CB-CG 4.3Å; I176-Y184 HydrophobicContact CG2-CD1 4.19Å; I176-Y184 HydrophobicContact CG2-CG 4.42Å; P177-Y184 HydrophobicContact CB-CE2 4.24Å; P177-Y184 VanDerWaalsContact CD-CE2 3.5Å; P177-Y184 HydrophobicContact CG-CE1 4.43Å; P177-Y184 HydrophobicContact CG-CE2 3.82Å; N181-Y184 HydrophobicContact CB-CD2 3.68Å; N181-Y184 HydrophobicContact CB-CE2 4.34Å; N181-Y184 PolarHBondContact O-N 3.47Å; Y184-R186 PolarHBondContact O-N 3.39Å; Y184-I187 PolarHBondContact O-N 3.43Å; Y184-A188 VanDerWaalsContact O-CB 3.28Å; Y184-A188 WeakPolarHBondContact O-CB 3.37Å; Y184-A188 PolarHBondContact O-N 3.12Å; Y184-S232 PolarHBondContact OH-OG 3.07Å; Y184-D256 HydrophobicContact CE1-CB 4.02Å; Y184-D256 PolarHBondContact OH-OD2 2.73Å; Y184-D256 VanDerWaalsContact OH-OD2 3.11Å
185	T	94.5	Very high	94.9	Very high	50 Å²	50	47.6 Å²	47.6	31%	0.307	23%	0.234	S	C	.	.	H	α-helix	trans	-64.2	-38.3	178.8	51.7	0	0	0	0	112.7	L179 N181 T182 A188 N189	L179-T185 WeakPolarHBondContact O-CG2 3.22Å; N181-T185 WeakPolarHBondContact O-CG2 3.41Å; N181-T185 PolarHBondContact O-N 3.26Å; N181-T185 VanDerWaalsContact O-N 3.09Å; N181-T185 PolarHBondContact O-OG1 2.92Å; T182-T185 VanDerWaalsContact CA-OG1 3.27Å; T182-T185 WeakPolarHBondContact CA-OG1 3.33Å; T182-T185 PolarHBondContact O-OG1 3.25Å; T185-A188 PolarHBondContact O-N 3.39Å; T185-N189 WeakPolarHBondContact O-CB 3.42Å; T185-N189 PolarHBondContact O-N 3.33Å
186	R	95.8	Very high	94.8	Very high	97 Å²	97	54.2 Å²	54.2	37%	0.366	26%	0.259	S	S	.	.	H	α-helix	trans	-62.7	-47.3	173.1	-77.8	174.9	177.4	176.8	0	111.3	T182 S183 Y184 N189 Y190 H401	T182-R186 HydrophobicContact CG2-CG 4.26Å; T182-R186 VanDerWaalsContact O-CB 3.31Å; T182-R186 WeakPolarHBondContact O-CB 3.26Å; T182-R186 WeakPolarHBondContact O-CD 3.28Å; T182-R186 WeakPolarHBondContact O-CG 3.35Å; T182-R186 PolarHBondContact O-N 3.32Å; T182-R186 VanDerWaalsContact O-N 3.11Å; S183-R186 PolarHBondContact O-N 2.81Å; Y184-R186 PolarHBondContact O-N 3.39Å; R186-N189 PolarHBondContact O-N 3.36Å; R186-Y190 WeakPolarHBondContact O-CD2 3.42Å; R186-Y190 PolarHBondContact O-N 2.81Å; R186-Y190 VanDerWaalsContact O-N 3.08Å; R186-H401 HydrophobicContact CB-CB 4.19Å
187	I	97.4	Very high	94.6	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-61.7	-46.4	177.5	-66.9	164.9	0	0	0	110.5	S183 Y184 N189 Y190 L191 L255 H401 V404 A405	S183-I187 WeakPolarHBondContact O-CG1 3.18Å; S183-I187 PolarHBondContact O-N 2.99Å; S183-I187 VanDerWaalsContact O-N 3.09Å; Y184-I187 PolarHBondContact O-N 3.43Å; I187-N189 VanDerWaalsContact C-N 3.31Å; I187-N189 PolarHBondContact O-N 3.44Å; I187-Y190 PolarHBondContact O-N 2.87Å; I187-L191 HydrophobicContact CG2-CD1 3.82Å; I187-L191 HydrophobicContact CG2-CG 4.21Å; I187-L191 WeakPolarHBondContact O-CB 3.11Å; I187-L191 WeakPolarHBondContact O-CG 3.45Å; I187-L191 PolarHBondContact O-N 2.83Å; I187-L255 HydrophobicContact CD1-CD1 4.39Å; I187-L255 HydrophobicContact CG2-CD1 4.33Å; I187-L255 HydrophobicContact CG2-CD2 3.82Å; I187-H401 HydrophobicContact CG1-CB 3.91Å; I187-V404 HydrophobicContact CD1-CG1 4.06Å; I187-V404 HydrophobicContact CG1-CG1 4.47Å; I187-V404 HydrophobicContact CG2-CG1 4.47Å; I187-A405 HydrophobicContact CG2-CB 4.31Å
188	A	97.8	Very high	94.5	Very high	8 Å²	8	65.7 Å²	65.7	7%	0.066	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-41	177.6	0	0	0	0	0	112.1	L174 Y184 T185 L191 E192 I204	L174-A188 HydrophobicContact CD2-CB 3.72Å; Y184-A188 VanDerWaalsContact O-CB 3.28Å; Y184-A188 WeakPolarHBondContact O-CB 3.37Å; Y184-A188 PolarHBondContact O-N 3.12Å; T185-A188 PolarHBondContact O-N 3.39Å; A188-L191 PolarHBondContact O-N 2.78Å; A188-E192 WeakPolarHBondContact O-CB 3.39Å; A188-E192 PolarHBondContact O-N 3.36Å; A188-I204 HydrophobicContact CB-CD1 4.18Å
189	N	97.4	Very high	94.4	Very high	96 Å²	96	65.1 Å²	65.1	51%	0.513	32%	0.316	S	S	.	.	H	α-helix	trans	-64.5	-43	175.7	-176.4	42.1	0	0	0	112.4	T185 R186 I187 R193	T185-N189 WeakPolarHBondContact O-CB 3.42Å; T185-N189 PolarHBondContact O-N 3.33Å; R186-N189 PolarHBondContact O-N 3.36Å; I187-N189 VanDerWaalsContact C-N 3.31Å; I187-N189 PolarHBondContact O-N 3.44Å; N189-R193 WeakPolarHBondContact O-CB 3.4Å; N189-R193 PolarHBondContact O-N 3.39Å; N189-R193 VanDerWaalsContact O-N 3.12Å
190	Y	98	Very high	94.4	Very high	67 Å²	67	62.1 Å²	62.1	26%	0.263	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-44.8	174.4	-77.2	-69.5	0	0	0	111.7	R186 I187 R193 Q194 H401 R402 A405	R186-Y190 WeakPolarHBondContact O-CD2 3.42Å; R186-Y190 PolarHBondContact O-N 2.81Å; R186-Y190 VanDerWaalsContact O-N 3.08Å; I187-Y190 PolarHBondContact O-N 2.87Å; Y190-R193 VanDerWaalsContact CD1-NH2 3.33Å; Y190-R193 VanDerWaalsContact CE1-NH2 3.26Å; Y190-R193 PolarHBondContact O-N 2.86Å; Y190-Q194 WeakPolarHBondContact O-CB 3.34Å; Y190-Q194 VanDerWaalsContact O-CG 3.26Å; Y190-Q194 WeakPolarHBondContact O-CG 3.4Å; Y190-Q194 PolarHBondContact O-N 3.26Å; Y190-H401 HydrophobicContact CD2-CB 4.04Å; Y190-H401 HydrophobicContact CE2-CB 4.06Å; Y190-R402 HydrophobicContact CD1-CB 4.22Å; Y190-R402 HydrophobicContact CD1-CG 4.26Å; Y190-R402 HydrophobicContact CE1-CB 4.03Å; Y190-R402 HydrophobicContact CE1-CG 4.21Å; Y190-R402 HydrophobicContact CE2-CB 4.39Å; Y190-R402 HydrophobicContact CG-CB 4.49Å; Y190-A405 VanDerWaalsContact CB-CB 3.45Å
191	L	98	Very high	94.6	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-49	176.5	-78.6	173.7	0	0	0	111.6	L174 I187 A188 R193 Q194 A195 L202 I230 A405 V408 L409	L174-L191 HydrophobicContact CD1-CD1 4.32Å; L174-L191 HydrophobicContact CD2-CD1 4.19Å; I187-L191 HydrophobicContact CG2-CD1 3.82Å; I187-L191 HydrophobicContact CG2-CG 4.21Å; I187-L191 WeakPolarHBondContact O-CB 3.11Å; I187-L191 WeakPolarHBondContact O-CG 3.45Å; I187-L191 PolarHBondContact O-N 2.83Å; A188-L191 PolarHBondContact O-N 2.78Å; L191-R193 VanDerWaalsContact C-N 3.35Å; L191-R193 PolarHBondContact O-N 3.32Å; L191-Q194 PolarHBondContact O-N 3.12Å; L191-A195 WeakPolarHBondContact O-CB 3.24Å; L191-A195 PolarHBondContact O-N 3.38Å; L191-L202 HydrophobicContact CB-CD2 3.99Å; L191-I230 HydrophobicContact CD1-CD1 4.1Å; L191-I230 HydrophobicContact CD2-CD1 4.17Å; L191-A405 HydrophobicContact CD2-CB 4.04Å; L191-A405 VanDerWaalsContact CD2-O 3.26Å; L191-A405 WeakPolarHBondContact CD2-O 3.43Å; L191-A405 HydrophobicContact CG-CB 3.85Å; L191-V408 HydrophobicContact CD2-CB 4.38Å; L191-V408 HydrophobicContact CD2-CG1 4.27Å; L191-L409 HydrophobicContact CD2-CB 4.06Å
192	E	97.6	Very high	95.1	Very high	60 Å²	60	58.3 Å²	58.3	28%	0.28	28%	0.279	S	S	.	.	H	α-helix	trans	-55.2	-52.9	178.2	-173.4	-70.3	142.1	0	0	110	A188 Q194 A195 R196 L202	A188-E192 WeakPolarHBondContact O-CB 3.39Å; A188-E192 PolarHBondContact O-N 3.36Å; E192-Q194 PolarHBondContact O-N 3.19Å; E192-A195 PolarHBondContact O-N 3.33Å; E192-R196 VanDerWaalsContact O-CB 3.25Å; E192-R196 WeakPolarHBondContact O-CB 3.46Å; E192-R196 PolarHBondContact O-N 2.97Å; E192-R196 WeakPolarHBondContact OE1-CD 3.49Å; E192-R196 IonicContact OE1-CZ 2.97Å; E192-R196 IonicContact OE1-NE 2.91Å; E192-R196 PolarHBondContact OE1-NE 3.47Å; E192-R196 IonicContact OE1-NH2 3.54Å; E192-R196 IonicContact OE2-CZ 2.67Å; E192-R196 IonicContact OE2-NE 3.8Å; E192-R196 PolarHBondContact OE2-NE 3.25Å; E192-R196 IonicContact OE2-NH2 3.77Å; E192-R196 PolarHBondContact OE2-NH2 3.1Å; E192-L202 HydrophobicContact CB-CD2 4.02Å
193	R	97.4	Very high	95.4	Very high	98 Å²	98	56.7 Å²	56.7	37%	0.37	27%	0.268	S	S	.	.	H	α-helix	trans	-62	-44.8	-176.1	-174.8	175.1	68.3	-171.9	2.5	111.5	N189 Y190 L191 Q197	N189-R193 WeakPolarHBondContact O-CB 3.4Å; N189-R193 PolarHBondContact O-N 3.39Å; N189-R193 VanDerWaalsContact O-N 3.12Å; Y190-R193 VanDerWaalsContact CD1-NH2 3.33Å; Y190-R193 VanDerWaalsContact CE1-NH2 3.26Å; Y190-R193 PolarHBondContact O-N 2.86Å; L191-R193 VanDerWaalsContact C-N 3.35Å; L191-R193 PolarHBondContact O-N 3.32Å; R193-Q197 WeakPolarHBondContact O-CB 3.2Å; R193-Q197 VanDerWaalsContact O-CG 3.23Å; R193-Q197 WeakPolarHBondContact O-CG 3.2Å; R193-Q197 PolarHBondContact O-N 2.88Å
194	Q	96.6	Very high	95.7	Very high	15 Å²	15	59 Å²	59	7%	0.07	28%	0.277	C	S	.	.	H	α-helix	trans	-71.7	-34.8	-179.1	-72.3	179.2	-22.2	0	0	112.8	Y190 L191 E192 R198 L409	Y190-Q194 WeakPolarHBondContact O-CB 3.34Å; Y190-Q194 VanDerWaalsContact O-CG 3.26Å; Y190-Q194 WeakPolarHBondContact O-CG 3.4Å; Y190-Q194 PolarHBondContact O-N 3.26Å; L191-Q194 PolarHBondContact O-N 3.12Å; E192-Q194 PolarHBondContact O-N 3.19Å; Q194-R198 WeakPolarHBondContact O-CG 3.33Å; Q194-R198 PolarHBondContact O-N 2.84Å; Q194-R198 PolarHBondContact O-NH1 3.06Å; Q194-R198 VanDerWaalsContact O-NH1 3.14Å; Q194-L409 HydrophobicContact CB-CD2 3.43Å; Q194-L409 VanDerWaalsContact CB-CD2 3.43Å
195	A	95.8	Very high	95.8	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-67.2	-47.9	173.9	0	0	0	0	0	110.5	L191 E192 Q197 R198 G199 Y200 L409	L191-A195 WeakPolarHBondContact O-CB 3.24Å; L191-A195 PolarHBondContact O-N 3.38Å; E192-A195 PolarHBondContact O-N 3.33Å; A195-Q197 PolarHBondContact O-N 2.89Å; A195-R198 CarbonylContact O-C 3.49Å; A195-R198 WeakPolarHBondContact O-CA 3.29Å; A195-R198 PolarHBondContact O-N 3.44Å; A195-G199 PolarHBondContact O-N 3.43Å; A195-G199 VanDerWaalsContact O-N 3.16Å; A195-Y200 CarbonylContact C-O 3.58Å; A195-Y200 VanDerWaalsContact C-O 3.27Å; A195-Y200 PolarHBondContact O-N 3.33Å; A195-L409 HydrophobicContact CB-CD1 4.44Å
196	R	95	Very high	96	Very high	138 Å²	138	58.6 Å²	58.6	52%	0.521	28%	0.279	S	S	.	.	H	α-helix	trans	-60	-42.1	177.9	177.6	166	46.8	83.8	3.5	112.5	E192 R198 G199 Y200	E192-R196 VanDerWaalsContact O-CB 3.25Å; E192-R196 WeakPolarHBondContact O-CB 3.46Å; E192-R196 PolarHBondContact O-N 2.97Å; E192-R196 WeakPolarHBondContact OE1-CD 3.49Å; E192-R196 IonicContact OE1-CZ 2.97Å; E192-R196 IonicContact OE1-NE 2.91Å; E192-R196 PolarHBondContact OE1-NE 3.47Å; E192-R196 IonicContact OE1-NH2 3.54Å; E192-R196 IonicContact OE2-CZ 2.67Å; E192-R196 IonicContact OE2-NE 3.8Å; E192-R196 PolarHBondContact OE2-NE 3.25Å; E192-R196 IonicContact OE2-NH2 3.77Å; E192-R196 PolarHBondContact OE2-NH2 3.1Å; R196-R198 PolarHBondContact O-N 3.48Å; R196-G199 PolarHBondContact O-N 2.89Å; R196-Y200 VanDerWaalsContact CA-O 3.29Å; R196-Y200 WeakPolarHBondContact CA-O 3.29Å; R196-Y200 PolarHBondContact N-O 3.03Å
197	Q	93.4	Very high	96	Very high	137 Å²	137	54 Å²	54	64%	0.64	26%	0.262	S	S	*	.	H	α-helix	trans	-59.2	-25.6	173.6	-76.9	171.8	-3.6	0	0	113.3	R193 A195	R193-Q197 WeakPolarHBondContact O-CB 3.2Å; R193-Q197 VanDerWaalsContact O-CG 3.23Å; R193-Q197 WeakPolarHBondContact O-CG 3.2Å; R193-Q197 PolarHBondContact O-N 2.88Å; A195-Q197 PolarHBondContact O-N 2.89Å
198	R	91.4	Very high	95.7	Very high	107 Å²	107	60.1 Å²	60.1	40%	0.404	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	9.7	177.3	-65.4	177.7	174.2	85	-8.8	113	Q194 A195 R196 Y200	Q194-R198 WeakPolarHBondContact O-CG 3.33Å; Q194-R198 PolarHBondContact O-N 2.84Å; Q194-R198 PolarHBondContact O-NH1 3.06Å; Q194-R198 VanDerWaalsContact O-NH1 3.14Å; A195-R198 CarbonylContact O-C 3.49Å; A195-R198 WeakPolarHBondContact O-CA 3.29Å; A195-R198 PolarHBondContact O-N 3.44Å; R196-R198 PolarHBondContact O-N 3.48Å; R198-Y200 HydrophobicContact CB-CD2 4.2Å; R198-Y200 WeakPolarHBondContact O-CD2 3.47Å
199	G	89	Confident	95.2	Very high	47 Å²	47	61.9 Å²	61.9	49%	0.485	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	24.7	177.6	0	0	0	0	0	114.2	R170 A195 R196	R170-G199 WeakPolarHBondContact CB-O 3.46Å; A195-G199 PolarHBondContact O-N 3.43Å; A195-G199 VanDerWaalsContact O-N 3.16Å; R196-G199 PolarHBondContact O-N 2.89Å
200	Y	93	Very high	94.9	Very high	31 Å²	31	62.2 Å²	62.2	12%	0.122	30%	0.297	C	S	.	.			trans	-106.1	143.9	172.3	-72.4	-93.8	0	0	0	111.2	R170 I172 A195 R196 R198 L413 L416	R170-Y200 HydrophobicContact CB-CD1 4.45Å; R170-Y200 CarbonylContact O-C 3.55Å; R170-Y200 VanDerWaalsContact O-CA 3.29Å; R170-Y200 WeakPolarHBondContact O-CA 3.36Å; I172-Y200 HydrophobicContact CD1-CD1 3.95Å; I172-Y200 HydrophobicContact CD1-CG 4.02Å; I172-Y200 HydrophobicContact CG1-CD1 3.92Å; I172-Y200 HydrophobicContact CG1-CG 4.42Å; A195-Y200 CarbonylContact C-O 3.58Å; A195-Y200 VanDerWaalsContact C-O 3.27Å; A195-Y200 PolarHBondContact O-N 3.33Å; R196-Y200 VanDerWaalsContact CA-O 3.29Å; R196-Y200 WeakPolarHBondContact CA-O 3.29Å; R196-Y200 PolarHBondContact N-O 3.03Å; R198-Y200 HydrophobicContact CB-CD2 4.2Å; R198-Y200 WeakPolarHBondContact O-CD2 3.47Å; Y200-L413 HydrophobicContact CD2-CD2 4.02Å; Y200-L413 HydrophobicContact CE2-CD2 3.44Å; Y200-L413 VanDerWaalsContact CE2-CD2 3.44Å; Y200-L416 HydrophobicContact CE1-CD1 3.92Å
201	Q	94.5	Very high	94.8	Very high	127 Å²	127	61.5 Å²	61.5	59%	0.593	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	131.4	168.9	-174.4	173.8	20.6	0	0	110.1	R170 S171 I172 L203	R170-Q201 PolarHBondContact O-N 2.71Å; S171-Q201 CarbonylContact C-O 3.57Å; S171-Q201 VanDerWaalsContact CA-O 3.24Å; S171-Q201 WeakPolarHBondContact CA-O 3.3Å; I172-Q201 PolarHBondContact N-O 3.14Å; Q201-L203 HydrophobicContact CG-CD2 4.1Å
202	L	97.6	Very high	94.7	Very high	20 Å²	20	66.8 Å²	66.8	11%	0.105	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125	173.3	-165.9	69.6	0	0	0	109.7	I172 L174 L191 E192 I204	I172-L202 HydrophobicContact CB-CD1 4.11Å; I172-L202 HydrophobicContact CG2-CD1 4.02Å; I172-L202 CarbonylContact O-C 3.59Å; I172-L202 WeakPolarHBondContact O-CA 2.96Å; L174-L202 HydrophobicContact CB-CD1 3.96Å; L174-L202 HydrophobicContact CB-CD2 4.43Å; L174-L202 HydrophobicContact CB-CG 4.21Å; L174-L202 HydrophobicContact CD2-CD2 3.99Å; L191-L202 HydrophobicContact CB-CD2 3.99Å; E192-L202 HydrophobicContact CB-CD2 4.02Å; L202-I204 HydrophobicContact CD2-CD1 4.14Å; L202-I204 HydrophobicContact CD2-CG1 4Å; L202-I204 HydrophobicContact CG-CG1 4.08Å
203	L	97.2	Very high	94.7	Very high	44 Å²	44	65.7 Å²	65.7	23%	0.23	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	109.2	173.7	-57.2	-173.4	0	0	0	108.6	I172 G173 L174 Q201 L221 V226	I172-L203 PolarHBondContact O-N 3.18Å; G173-L203 CarbonylContact C-O 3.59Å; G173-L203 WeakPolarHBondContact CA-O 3.26Å; L174-L203 PolarHBondContact N-O 2.93Å; Q201-L203 HydrophobicContact CG-CD2 4.1Å; L203-L221 HydrophobicContact CB-CD2 3.71Å; L203-L221 HydrophobicContact CD1-CD2 4.25Å; L203-V226 HydrophobicContact CD1-CG1 3.83Å
204	I	97.9	Very high	94.7	Very high	79 Å²	79	61 Å²	61	41%	0.405	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	132.9	-175.1	-51	175	0	0	0	109.5	L174 I176 L179 A188 L202	L174-I204 HydrophobicContact CB-CG1 4.45Å; L174-I204 HydrophobicContact CD2-CG1 4.29Å; L174-I204 HydrophobicContact CD2-CG2 4.46Å; L174-I204 CarbonylContact O-C 3.54Å; L174-I204 WeakPolarHBondContact O-CA 3.25Å; I176-I204 HydrophobicContact CD1-CG2 4.15Å; I176-I204 HydrophobicContact CG1-CG2 4.21Å; L179-I204 HydrophobicContact CD2-CG2 4.01Å; A188-I204 HydrophobicContact CB-CD1 4.18Å; L202-I204 HydrophobicContact CD2-CD1 4.14Å; L202-I204 HydrophobicContact CD2-CG1 4Å; L202-I204 HydrophobicContact CG-CG1 4.08Å
205	A	97.6	Very high	94.8	Very high	21 Å²	21	62.3 Å²	62.3	17%	0.174	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.3	171.2	0	0	0	0	0	110.1	L174 V175 I176 C217	L174-A205 PolarHBondContact O-N 3.13Å; V175-A205 WeakPolarHBondContact CA-O 3.42Å; V175-A205 HydrophobicContact CG2-CB 4.4Å; I176-A205 PolarHBondContact N-O 3.06Å; I176-A205 VanDerWaalsContact N-O 3.07Å; A205-C217 HydrophobicContact CB-CB 3.82Å
206	C	97.1	Very high	94.9	Very high	34 Å²	34	69.2 Å²	69.2	23%	0.23	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.8	-179.7	-165.9	0	0	0	0	109.6	I176 P177 L179 C217	I176-C206 CarbonylContact O-C 3.54Å; I176-C206 VanDerWaalsContact O-CA 3.27Å; I176-C206 WeakPolarHBondContact O-CA 3.25Å; P177-C206 PolarHBondContact O-SG 2.83Å; L179-C206 HydrophobicContact CD1-CB 3.83Å; L179-C206 HydrophobicContact CG-CB 4.05Å; C206-C217 PolarHBondContact O-SG 3.48Å
207	S	95.9	Very high	95	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.322	C	S	.	.			trans	-89.7	-14.9	174.3	59	0	0	0	0	113.7	I176 P177 D209 Q210 N213	I176-S207 PolarHBondContact O-N 3.24Å; P177-S207 WeakPolarHBondContact CA-OG 3.29Å; S207-D209 PolarHBondContact O-N 3.36Å; S207-Q210 PolarHBondContact O-N 3.49Å; S207-N213 VanDerWaalsContact O-CB 3.22Å; S207-N213 WeakPolarHBondContact O-CB 3.39Å
208	E	91.2	Very high	95.3	Very high	130 Å²	130	57.1 Å²	57.1	61%	0.607	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	29.7	-173.3	-59.2	174.6	-178.4	0	0	112.5	P177 Q210	P177-E208 WeakPolarHBondContact O-CA 3.4Å; P177-E208 PolarHBondContact O-N 2.83Å; E208-Q210 HydrophobicContact CB-CG 4.35Å; E208-Q210 WeakPolarHBondContact O-CG 3.43Å; E208-Q210 PolarHBondContact O-N 2.76Å; E208-Q210 PolarHBondContact O-NE2 3.48Å
209	D	89	Confident	95.5	Very high	45 Å²	45	55.4 Å²	55.4	24%	0.241	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	8.6	-170.6	-95.2	-40.4	0	0	0	115.1	P177 S207 P211 S234 R257	P177-D209 HydrophobicContact CB-CB 4.36Å; P177-D209 VanDerWaalsContact CB-CG 3.49Å; P177-D209 WeakPolarHBondContact CB-OD1 3.29Å; S207-D209 PolarHBondContact O-N 3.36Å; D209-P211 WeakPolarHBondContact O-CD 3.48Å; D209-S234 VanDerWaalsContact O-CB 3.28Å; D209-S234 WeakPolarHBondContact O-CB 3.41Å; D209-S234 PolarHBondContact O-OG 3.35Å; D209-R257 VanDerWaalsContact CG-NH2 3.34Å; D209-R257 IonicContact OD1-CZ 3.48Å; D209-R257 IonicContact OD1-NH1 3.74Å; D209-R257 PolarHBondContact OD1-NH1 2.97Å; D209-R257 IonicContact OD1-NH2 3.99Å; D209-R257 PolarHBondContact OD1-NH2 3.09Å; D209-R257 IonicContact OD2-NH2 2.76Å; D209-R257 PolarHBondContact OD2-NH2 3.26Å
210	Q	90.8	Very high	95.8	Very high	104 Å²	104	57.5 Å²	57.5	49%	0.486	29%	0.285	S	S	.	.			trans	-89.8	122.7	-179.2	-58.3	-52.1	-61.8	0	0	111.7	S207 E208 D212 N213 E214	S207-Q210 PolarHBondContact O-N 3.49Å; E208-Q210 HydrophobicContact CB-CG 4.35Å; E208-Q210 WeakPolarHBondContact O-CG 3.43Å; E208-Q210 PolarHBondContact O-N 2.76Å; E208-Q210 PolarHBondContact O-NE2 3.48Å; Q210-D212 VanDerWaalsContact C-N 3.29Å; Q210-D212 PolarHBondContact O-N 2.93Å; Q210-N213 HydrophobicContact CB-CB 4.01Å; Q210-N213 PolarHBondContact O-N 3.39Å; Q210-N213 VanDerWaalsContact O-N 3.14Å; Q210-E214 PolarHBondContact O-N 2.88Å
211	P	94.2	Very high	96	Very high	51 Å²	51	56.5 Å²	56.5	33%	0.331	28%	0.282	S	S	.	.	H	α-helix	trans	-48.9	-45.3	176	-34.7	40	0	0	0	114.4	D209 E214 M215 L235	D209-P211 WeakPolarHBondContact O-CD 3.48Å; P211-E214 WeakPolarHBondContact O-CB 3.42Å; P211-E214 PolarHBondContact O-N 3.5Å; P211-M215 WeakPolarHBondContact O-CG 3.01Å; P211-M215 PolarHBondContact O-N 3.4Å; P211-L235 HydrophobicContact CB-CD2 3.69Å; P211-L235 HydrophobicContact CG-CD2 4.35Å
212	D	96.6	Very high	95.8	Very high	113 Å²	113	52.6 Å²	52.6	60%	0.604	26%	0.264	S	S	*	.	H	α-helix	trans	-69	-37.7	-177.7	-70.6	-27.8	0	0	0	112.6	Q210 M215 R216	Q210-D212 VanDerWaalsContact C-N 3.29Å; Q210-D212 PolarHBondContact O-N 2.93Å; D212-M215 VanDerWaalsContact OD1-CE 3.24Å; D212-M215 WeakPolarHBondContact OD1-CE 3.47Å; D212-R216 WeakPolarHBondContact O-CB 3.09Å; D212-R216 VanDerWaalsContact O-CG 3.27Å; D212-R216 WeakPolarHBondContact O-CG 3.31Å; D212-R216 PolarHBondContact O-N 3.37Å
213	N	97.6	Very high	95.4	Very high	37 Å²	37	58.3 Å²	58.3	20%	0.198	29%	0.291	C	S	.	.	H	α-helix	trans	-68.3	-40.8	175.4	-73.3	-16.3	0	0	0	110.9	S207 Q210 R216 C217	S207-N213 VanDerWaalsContact O-CB 3.22Å; S207-N213 WeakPolarHBondContact O-CB 3.39Å; Q210-N213 HydrophobicContact CB-CB 4.01Å; Q210-N213 PolarHBondContact O-N 3.39Å; Q210-N213 VanDerWaalsContact O-N 3.14Å; N213-R216 PolarHBondContact O-N 2.91Å; N213-R216 PolarHBondContact OD1-NH1 3.37Å; N213-C217 WeakPolarHBondContact O-CB 3.34Å; N213-C217 PolarHBondContact O-N 2.79Å; N213-C217 PolarHBondContact O-SG 3.26Å
214	E	97.6	Very high	94.9	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-56.2	-53.2	173.7	-175.5	179.5	149.1	0	0	110.9	V175 Q210 P211 R216 C217 I218 V231 T233 S234 Y242	V175-E214 HydrophobicContact CG1-CG 4.26Å; Q210-E214 PolarHBondContact O-N 2.88Å; P211-E214 WeakPolarHBondContact O-CB 3.42Å; P211-E214 PolarHBondContact O-N 3.5Å; E214-R216 VanDerWaalsContact C-N 3.31Å; E214-R216 PolarHBondContact O-N 3.45Å; E214-C217 WeakPolarHBondContact O-CB 3.44Å; E214-C217 PolarHBondContact O-N 2.87Å; E214-C217 VanDerWaalsContact O-N 3.11Å; E214-I218 HydrophobicContact CG-CG1 4.44Å; E214-I218 VanDerWaalsContact O-CG1 3.26Å; E214-I218 WeakPolarHBondContact O-CG1 3.43Å; E214-I218 PolarHBondContact O-N 3.34Å; E214-V231 HydrophobicContact CG-CG2 4.36Å; E214-T233 WeakPolarHBondContact OE1-CB 3.42Å; E214-T233 PolarHBondContact OE1-OG1 2.98Å; E214-T233 WeakPolarHBondContact OE2-CA 3.4Å; E214-S234 PolarHBondContact OE2-N 3.18Å; E214-S234 PolarHBondContact OE2-OG 2.84Å; E214-Y242 WeakPolarHBondContact OE1-CE2 3.49Å; E214-Y242 VanDerWaalsContact OE1-CZ 3.27Å; E214-Y242 PolarHBondContact OE1-OH 3.08Å
215	M	98.2	Very high	94.4	Very high	43 Å²	43	66.5 Å²	66.5	21%	0.212	32%	0.319	C	S	.	.	H	α-helix	trans	-58	-43	180	-69.7	-172.5	-75	0	0	112.1	P211 D212 I218 E219 L235 F241	P211-M215 WeakPolarHBondContact O-CG 3.01Å; P211-M215 PolarHBondContact O-N 3.4Å; D212-M215 VanDerWaalsContact OD1-CE 3.24Å; D212-M215 WeakPolarHBondContact OD1-CE 3.47Å; M215-I218 PolarHBondContact O-N 3.39Å; M215-E219 WeakPolarHBondContact O-CB 3.26Å; M215-E219 VanDerWaalsContact O-CG 3.29Å; M215-E219 WeakPolarHBondContact O-CG 3.31Å; M215-E219 PolarHBondContact O-N 3.45Å; M215-L235 HydrophobicContact CG-CD1 4.2Å; M215-F241 HydrophobicContact CB-CD2 4.11Å; M215-F241 HydrophobicContact CB-CE1 4.41Å; M215-F241 HydrophobicContact CB-CE2 3.63Å; M215-F241 HydrophobicContact CB-CZ 3.81Å; M215-F241 HydrophobicContact CG-CB 4.46Å; M215-F241 HydrophobicContact CG-CD1 3.98Å; M215-F241 HydrophobicContact CG-CD2 3.52Å; M215-F241 HydrophobicContact CG-CE1 4.03Å; M215-F241 HydrophobicContact CG-CE2 3.56Å; M215-F241 HydrophobicContact CG-CG 3.73Å; M215-F241 HydrophobicContact CG-CZ 3.83Å; M215-F241 HydrophobicContact SD-CB 4.19Å; M215-F241 HydrophobicContact SD-CD2 3.58Å; M215-F241 VanDerWaalsContact SD-CD2 3.58Å; M215-F241 HydrophobicContact SD-CE2 4.1Å; M215-F241 HydrophobicContact SD-CG 3.94Å
216	R	98.1	Very high	94.2	Very high	145 Å²	145	65.9 Å²	65.9	55%	0.547	31%	0.313	S	S	.	.	H	α-helix	trans	-63.7	-41.8	175.2	-73.4	170.9	62.7	-145.6	-0.2	112.8	D212 N213 E214 I218 E219 H220	D212-R216 WeakPolarHBondContact O-CB 3.09Å; D212-R216 VanDerWaalsContact O-CG 3.27Å; D212-R216 WeakPolarHBondContact O-CG 3.31Å; D212-R216 PolarHBondContact O-N 3.37Å; N213-R216 PolarHBondContact O-N 2.91Å; N213-R216 PolarHBondContact OD1-NH1 3.37Å; E214-R216 VanDerWaalsContact C-N 3.31Å; E214-R216 PolarHBondContact O-N 3.45Å; R216-I218 VanDerWaalsContact C-N 3.35Å; R216-E219 PolarHBondContact O-N 2.92Å; R216-H220 VanDerWaalsContact O-CG 3.23Å; R216-H220 PolarHBondContact O-N 2.81Å; R216-H220 PolarHBondContact O-ND1 2.82Å
217	C	98.2	Very high	94	Very high	21 Å²	21	64.7 Å²	64.7	14%	0.142	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-45.1	177.8	-72.1	0	0	0	0	111.2	V175 A205 C206 N213 E214 H220 L221	V175-C217 HydrophobicContact CG1-CB 4.2Å; V175-C217 HydrophobicContact CG2-CB 4.12Å; A205-C217 HydrophobicContact CB-CB 3.82Å; C206-C217 PolarHBondContact O-SG 3.48Å; N213-C217 WeakPolarHBondContact O-CB 3.34Å; N213-C217 PolarHBondContact O-N 2.79Å; N213-C217 PolarHBondContact O-SG 3.26Å; E214-C217 WeakPolarHBondContact O-CB 3.44Å; E214-C217 PolarHBondContact O-N 2.87Å; E214-C217 VanDerWaalsContact O-N 3.11Å; C217-H220 PolarHBondContact O-N 3.09Å; C217-L221 VanDerWaalsContact O-CG 3.29Å; C217-L221 WeakPolarHBondContact O-CG 3.28Å; C217-L221 PolarHBondContact O-N 2.99Å
218	I	98.1	Very high	94.1	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.6	-48.6	177.1	-63.9	-72.8	0	0	0	110.7	V175 E214 M215 R216 H220 L221 L222 I229 V231 F241 Y242 W245	V175-I218 HydrophobicContact CB-CD1 4.4Å; V175-I218 HydrophobicContact CG2-CD1 3.66Å; V175-I218 HydrophobicContact CG2-CG1 4.25Å; E214-I218 HydrophobicContact CG-CG1 4.44Å; E214-I218 VanDerWaalsContact O-CG1 3.26Å; E214-I218 WeakPolarHBondContact O-CG1 3.43Å; E214-I218 PolarHBondContact O-N 3.34Å; M215-I218 PolarHBondContact O-N 3.39Å; R216-I218 VanDerWaalsContact C-N 3.35Å; I218-H220 VanDerWaalsContact C-N 3.34Å; I218-H220 PolarHBondContact O-N 3.11Å; I218-L221 PolarHBondContact O-N 3.18Å; I218-L222 HydrophobicContact CG2-CD1 3.8Å; I218-L222 HydrophobicContact CG2-CG 4.48Å; I218-L222 WeakPolarHBondContact O-CD1 3.35Å; I218-L222 VanDerWaalsContact O-CG 3.26Å; I218-L222 WeakPolarHBondContact O-CG 3.46Å; I218-L222 PolarHBondContact O-N 3.48Å; I218-I229 HydrophobicContact CD1-CD1 3.91Å; I218-I229 HydrophobicContact CD1-CG2 3.55Å; I218-I229 HydrophobicContact CG2-CD1 3.96Å; I218-V231 HydrophobicContact CD1-CB 4.46Å; I218-V231 HydrophobicContact CD1-CG2 4.47Å; I218-F241 HydrophobicContact CB-CE1 3.88Å; I218-F241 HydrophobicContact CB-CZ 3.81Å; I218-F241 HydrophobicContact CG1-CE1 4.07Å; I218-F241 HydrophobicContact CG1-CZ 4.45Å; I218-F241 HydrophobicContact CG2-CE1 3.71Å; I218-F241 HydrophobicContact CG2-CZ 3.69Å; I218-Y242 HydrophobicContact CD1-CE1 4.24Å; I218-Y242 HydrophobicContact CG1-CE1 4.41Å; I218-Y242 WeakPolarHBondContact CG1-OH 3.44Å; I218-W245 HydrophobicContact CG2-CH2 3.89Å; I218-W245 HydrophobicContact CG2-CZ3 4.42Å
219	E	96.2	Very high	94.4	Very high	71 Å²	71	58.5 Å²	58.5	33%	0.332	28%	0.275	S	S	.	.	H	α-helix	trans	-56.4	-44.8	175.5	-74.1	-79	151.9	0	0	112.1	M215 R216 L221 L222 Q223 R244	M215-E219 WeakPolarHBondContact O-CB 3.26Å; M215-E219 VanDerWaalsContact O-CG 3.29Å; M215-E219 WeakPolarHBondContact O-CG 3.31Å; M215-E219 PolarHBondContact O-N 3.45Å; R216-E219 PolarHBondContact O-N 2.92Å; E219-L221 PolarHBondContact O-N 3.47Å; E219-L222 PolarHBondContact O-N 2.96Å; E219-Q223 VanDerWaalsContact O-CG 3.29Å; E219-Q223 WeakPolarHBondContact O-CG 3.18Å; E219-Q223 PolarHBondContact O-N 3.34Å; E219-R244 IonicContact OE1-CZ 3.42Å; E219-R244 VanDerWaalsContact OE1-CZ 3.31Å; E219-R244 IonicContact OE1-NH1 3.5Å; E219-R244 PolarHBondContact OE1-NH1 3.47Å; E219-R244 IonicContact OE1-NH2 3.32Å; E219-R244 PolarHBondContact OE1-NH2 2.8Å
220	H	96.4	Very high	94.9	Very high	92 Å²	92	56.4 Å²	56.4	43%	0.426	26%	0.264	S	S	.	.	H	α-helix	trans	-64.7	-37.6	176.9	-69	159	0	0	0	113.2	R216 C217 I218 Q223 R224	R216-H220 VanDerWaalsContact O-CG 3.23Å; R216-H220 PolarHBondContact O-N 2.81Å; R216-H220 PolarHBondContact O-ND1 2.82Å; C217-H220 PolarHBondContact O-N 3.09Å; I218-H220 VanDerWaalsContact C-N 3.34Å; I218-H220 PolarHBondContact O-N 3.11Å; H220-Q223 PolarHBondContact O-N 2.97Å; H220-R224 WeakPolarHBondContact O-CG 2.97Å; H220-R224 PolarHBondContact O-N 3.37Å
221	L	95.7	Very high	95.2	Very high	10 Å²	10	51.4 Å²	51.4	5%	0.052	24%	0.24	C	C	.	.	H	α-helix	trans	-66.5	-41.4	176.4	-72.1	166.8	0	0	0	111	V175 L203 C217 I218 E219 R224 Q225 V226 I229	V175-L221 HydrophobicContact CG2-CD1 3.54Å; L203-L221 HydrophobicContact CB-CD2 3.71Å; L203-L221 HydrophobicContact CD1-CD2 4.25Å; C217-L221 VanDerWaalsContact O-CG 3.29Å; C217-L221 WeakPolarHBondContact O-CG 3.28Å; C217-L221 PolarHBondContact O-N 2.99Å; I218-L221 PolarHBondContact O-N 3.18Å; E219-L221 PolarHBondContact O-N 3.47Å; L221-R224 CarbonylContact O-C 3.5Å; L221-R224 WeakPolarHBondContact O-CA 3.29Å; L221-R224 WeakPolarHBondContact O-CB 3.29Å; L221-R224 PolarHBondContact O-N 2.96Å; L221-R224 VanDerWaalsContact O-N 3.12Å; L221-Q225 PolarHBondContact O-N 2.65Å; L221-V226 HydrophobicContact CB-CG1 4.27Å; L221-V226 HydrophobicContact CB-CG2 4.06Å; L221-V226 HydrophobicContact CD2-CG1 4.08Å; L221-V226 PolarHBondContact O-N 3Å; L221-I229 HydrophobicContact CB-CD1 4.36Å
222	L	91.3	Very high	95.3	Very high	44 Å²	44	49 Å²	49	23%	0.23	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-40.8	175.6	-67.4	160.7	0	0	0	112.2	I218 E219 R224 Q225 I229 W245 F250	I218-L222 HydrophobicContact CG2-CD1 3.8Å; I218-L222 HydrophobicContact CG2-CG 4.48Å; I218-L222 WeakPolarHBondContact O-CD1 3.35Å; I218-L222 VanDerWaalsContact O-CG 3.26Å; I218-L222 WeakPolarHBondContact O-CG 3.46Å; I218-L222 PolarHBondContact O-N 3.48Å; E219-L222 PolarHBondContact O-N 2.96Å; L222-R224 PolarHBondContact O-N 3.38Å; L222-Q225 WeakPolarHBondContact O-CA 3.42Å; L222-Q225 PolarHBondContact O-N 3Å; L222-I229 HydrophobicContact CD2-CD1 4.22Å; L222-I229 HydrophobicContact CG-CD1 4.19Å; L222-W245 HydrophobicContact CD1-CH2 3.61Å; L222-W245 HydrophobicContact CD1-CZ2 3.33Å; L222-W245 HydrophobicContact CD2-CZ2 4.19Å; L222-W245 HydrophobicContact CG-CZ2 4.39Å; L222-F250 HydrophobicContact CD2-CD1 4.31Å; L222-F250 HydrophobicContact CD2-CE1 3.73Å; L222-F250 HydrophobicContact CD2-CE2 4.38Å; L222-F250 HydrophobicContact CD2-CZ 3.76Å
223	Q	88.6	Confident	95.2	Very high	140 Å²	140	43.9 Å²	43.9	65%	0.654	20%	0.197	S	C	*	.	H	α-helix	trans	-61.4	-27.6	173.5	-72.5	170.8	11.5	0	0	112.6	E219 H220	E219-Q223 VanDerWaalsContact O-CG 3.29Å; E219-Q223 WeakPolarHBondContact O-CG 3.18Å; E219-Q223 PolarHBondContact O-N 3.34Å; H220-Q223 PolarHBondContact O-N 2.97Å
224	R	87.2	Confident	94.9	Very high	177 Å²	177	43.3 Å²	43.3	67%	0.668	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	2.9	172.3	-67.9	-178.4	-173.6	-75.2	-1	113.6	H220 L221 L222 V226	H220-R224 WeakPolarHBondContact O-CG 2.97Å; H220-R224 PolarHBondContact O-N 3.37Å; L221-R224 CarbonylContact O-C 3.5Å; L221-R224 WeakPolarHBondContact O-CA 3.29Å; L221-R224 WeakPolarHBondContact O-CB 3.29Å; L221-R224 PolarHBondContact O-N 2.96Å; L221-R224 VanDerWaalsContact O-N 3.12Å; L222-R224 PolarHBondContact O-N 3.38Å; R224-V226 VanDerWaalsContact C-N 3.3Å; R224-V226 PolarHBondContact O-N 3.28Å
225	Q	87.2	Confident	94.6	Very high	119 Å²	119	43.7 Å²	43.7	56%	0.556	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	43.1	178.6	-56.5	-176.6	-35.5	0	0	112.3	T169 L221 L222	T169-Q225 WeakPolarHBondContact CB-O 3.39Å; T169-Q225 HydrophobicContact CG2-CB 3.84Å; T169-Q225 WeakPolarHBondContact CG2-O 3.43Å; T169-Q225 PolarHBondContact OG1-O 2.93Å; L221-Q225 PolarHBondContact O-N 2.65Å; L222-Q225 WeakPolarHBondContact O-CA 3.42Å; L222-Q225 PolarHBondContact O-N 3Å
226	V	93.8	Very high	94.2	Very high	8 Å²	8	44.5 Å²	44.5	5%	0.048	21%	0.207	C	C	.	.			trans	-55.8	149.5	169.2	-62.5	0	0	0	0	110.3	S171 L203 L221 R224 I229 F250	S171-V226 WeakPolarHBondContact OG-CA 3.32Å; L203-V226 HydrophobicContact CD1-CG1 3.83Å; L221-V226 HydrophobicContact CB-CG1 4.27Å; L221-V226 HydrophobicContact CB-CG2 4.06Å; L221-V226 HydrophobicContact CD2-CG1 4.08Å; L221-V226 PolarHBondContact O-N 3Å; R224-V226 VanDerWaalsContact C-N 3.3Å; R224-V226 PolarHBondContact O-N 3.28Å; V226-I229 HydrophobicContact CG2-CD1 4.35Å; V226-I229 HydrophobicContact CG2-CG1 3.9Å; V226-F250 HydrophobicContact CG2-CE2 4.46Å; V226-F250 HydrophobicContact CG2-CZ 4.03Å; V226-F250 VanDerWaalsContact O-CE2 3.31Å; V226-F250 WeakPolarHBondContact O-CE2 3.34Å
227	D	93.2	Very high	93.8	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.043	20%	0.199	C	C	.	.	S	Bend	trans	-80.3	-26.1	-178.4	-65.9	-41.9	0	0	0	112.1	R168 T169 R170 S171 P251 L416	R168-D227 VanDerWaalsContact CA-OD1 3.25Å; R168-D227 WeakPolarHBondContact CA-OD1 3.45Å; R168-D227 WeakPolarHBondContact CD-OD1 3.3Å; T169-D227 PolarHBondContact N-OD1 3.02Å; T169-D227 PolarHBondContact N-OD2 3.11Å; R170-D227 WeakPolarHBondContact CA-OD2 3.16Å; R170-D227 PolarHBondContact N-OD2 2.94Å; S171-D227 PolarHBondContact N-OD2 2.97Å; S171-D227 WeakPolarHBondContact O-CB 3.4Å; S171-D227 PolarHBondContact O-N 2.66Å; D227-P251 WeakPolarHBondContact O-CD 3.27Å; D227-L416 HydrophobicContact CB-CD1 4.37Å; D227-L416 HydrophobicContact CB-CD2 3.89Å; D227-L416 VanDerWaalsContact O-CD2 3.28Å; D227-L416 WeakPolarHBondContact O-CD2 3.34Å
228	A	96.2	Very high	93.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	161.7	179.2	0	0	0	0	0	111	G173 P251 V412 L416	G173-A228 PolarHBondContact N-O 2.91Å; A228-P251 WeakPolarHBondContact CA-O 3.2Å; A228-P251 HydrophobicContact CB-CB 3.97Å; A228-P251 HydrophobicContact CB-CG 4.27Å; A228-V412 HydrophobicContact CB-CG1 3.57Å; A228-L416 HydrophobicContact CB-CD2 4.4Å
229	I	98.1	Very high	93.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.3	174.2	-74.6	172.8	0	0	0	110.6	G173 I218 L221 L222 V226 V231 F250 P251 I252 V253	G173-I229 CarbonylContact O-C 3.52Å; G173-I229 WeakPolarHBondContact O-CA 3.48Å; I218-I229 HydrophobicContact CD1-CD1 3.91Å; I218-I229 HydrophobicContact CD1-CG2 3.55Å; I218-I229 HydrophobicContact CG2-CD1 3.96Å; L221-I229 HydrophobicContact CB-CD1 4.36Å; L222-I229 HydrophobicContact CD2-CD1 4.22Å; L222-I229 HydrophobicContact CG-CD1 4.19Å; V226-I229 HydrophobicContact CG2-CD1 4.35Å; V226-I229 HydrophobicContact CG2-CG1 3.9Å; I229-V231 HydrophobicContact CG2-CB 4.21Å; I229-V231 HydrophobicContact CG2-CG1 4.46Å; I229-F250 HydrophobicContact CB-CE1 4.2Å; I229-F250 HydrophobicContact CB-CZ 4.38Å; I229-F250 HydrophobicContact CD1-CE1 3.8Å; I229-F250 HydrophobicContact CD1-CZ 3.93Å; I229-F250 HydrophobicContact CG1-CE1 3.94Å; I229-F250 HydrophobicContact CG1-CZ 3.8Å; I229-P251 PolarHBondContact N-O 3.39Å; I229-I252 HydrophobicContact CB-CG1 4.48Å; I229-I252 HydrophobicContact CG2-CG2 4.39Å; I229-I252 WeakPolarHBondContact O-CA 3.27Å; I229-V253 PolarHBondContact O-N 2.77Å
230	I	98.6	Very high	93.1	Very high	1 Å²	1	50 Å²	50	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131	164.2	-58.3	162.5	0	0	0	106.8	I172 G173 L174 V175 L191 V253 L255 V408 V412	I172-I230 HydrophobicContact CG2-CD1 3.87Å; I172-I230 HydrophobicContact CG2-CG1 4.19Å; G173-I230 PolarHBondContact O-N 3.4Å; L174-I230 CarbonylContact C-O 3.38Å; L174-I230 VanDerWaalsContact CA-O 3.32Å; L174-I230 WeakPolarHBondContact CA-O 3.32Å; L174-I230 HydrophobicContact CD1-CB 3.83Å; L174-I230 HydrophobicContact CD1-CG2 3.6Å; V175-I230 PolarHBondContact N-O 2.89Å; L191-I230 HydrophobicContact CD1-CD1 4.1Å; L191-I230 HydrophobicContact CD2-CD1 4.17Å; I230-V253 CarbonylContact C-O 3.49Å; I230-V253 VanDerWaalsContact CA-O 3.26Å; I230-V253 WeakPolarHBondContact CA-O 3.4Å; I230-L255 HydrophobicContact CG2-CB 3.86Å; I230-L255 HydrophobicContact CG2-CD2 4.26Å; I230-V408 HydrophobicContact CB-CG1 4.34Å; I230-V408 HydrophobicContact CD1-CG1 3.51Å; I230-V408 HydrophobicContact CG1-CG1 3.66Å; I230-V408 HydrophobicContact CG2-CG1 3.71Å; I230-V412 HydrophobicContact CD1-CG2 4.1Å; I230-V412 HydrophobicContact CG1-CG2 3.76Å
231	V	98.3	Very high	93.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	136.2	-178.2	60.2	0	0	0	0	112.9	V175 E214 I218 I229 Y242 I252 V253 A254 L255 L259	V175-V231 HydrophobicContact CB-CB 4.36Å; V175-V231 HydrophobicContact CB-CG2 3.92Å; V175-V231 HydrophobicContact CG1-CG2 4.32Å; V175-V231 WeakPolarHBondContact O-CA 3.48Å; E214-V231 HydrophobicContact CG-CG2 4.36Å; I218-V231 HydrophobicContact CD1-CB 4.46Å; I218-V231 HydrophobicContact CD1-CG2 4.47Å; I229-V231 HydrophobicContact CG2-CB 4.21Å; I229-V231 HydrophobicContact CG2-CG1 4.46Å; V231-Y242 HydrophobicContact CG1-CE1 4.27Å; V231-Y242 WeakPolarHBondContact CG2-OH 3.42Å; V231-I252 HydrophobicContact CG1-CG2 4.12Å; V231-V253 PolarHBondContact N-O 3.12Å; V231-A254 CarbonylContact O-C 3.44Å; V231-A254 VanDerWaalsContact O-CA 3.25Å; V231-A254 WeakPolarHBondContact O-CA 3.48Å; V231-L255 PolarHBondContact O-N 2.91Å; V231-L259 HydrophobicContact CG1-CD1 4.15Å
232	S	96.2	Very high	93.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.233	C	C	.	.			trans	-99.9	93.3	162.4	172.9	0	0	0	0	108.7	V175 Y184 L255	V175-S232 PolarHBondContact O-N 2.78Å; Y184-S232 PolarHBondContact OH-OG 3.07Å; S232-L255 WeakPolarHBondContact CA-O 3.41Å; S232-L255 WeakPolarHBondContact CB-O 3.48Å; S232-L255 PolarHBondContact OG-O 3.08Å
233	T	94.7	Very high	93.2	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.031	23%	0.234	C	C	.	.			trans	-73.8	139.7	-168.3	176.6	0	0	0	0	113.3	E214 L235 R257 L259	E214-T233 WeakPolarHBondContact OE1-CB 3.42Å; E214-T233 PolarHBondContact OE1-OG1 2.98Å; E214-T233 WeakPolarHBondContact OE2-CA 3.4Å; T233-L235 WeakPolarHBondContact OG1-CB 3.26Å; T233-L235 PolarHBondContact OG1-N 2.92Å; T233-L235 PolarHBondContact OG1-O 2.97Å; T233-R257 HydrophobicContact CG2-CB 4.21Å; T233-R257 WeakPolarHBondContact O-CD 3.42Å; T233-R257 PolarHBondContact O-NH1 3.21Å; T233-L259 HydrophobicContact CG2-CD2 3.8Å; T233-L259 HydrophobicContact CG2-CG 4.19Å
234	S	90.7	Very high	93.4	Very high	25 Å²	25	46 Å²	46	18%	0.175	22%	0.224	C	C	.	.			trans	-95.1	-7.9	161.6	67.3	0	0	0	0	112.7	D209 E214	D209-S234 VanDerWaalsContact O-CB 3.28Å; D209-S234 WeakPolarHBondContact O-CB 3.41Å; D209-S234 PolarHBondContact O-OG 3.35Å; E214-S234 PolarHBondContact OE2-N 3.18Å; E214-S234 PolarHBondContact OE2-OG 2.84Å
235	L	92.5	Very high	93.7	Very high	9 Å²	9	38.8 Å²	38.8	5%	0.047	20%	0.197	C	C	.	.	S	Bend	trans	-74.3	144.6	174.1	-62.2	170.4	0	0	0	111.4	P211 M215 T233 H239 F241 Y242	P211-L235 HydrophobicContact CB-CD2 3.69Å; P211-L235 HydrophobicContact CG-CD2 4.35Å; M215-L235 HydrophobicContact CG-CD1 4.2Å; T233-L235 WeakPolarHBondContact OG1-CB 3.26Å; T233-L235 PolarHBondContact OG1-N 2.92Å; T233-L235 PolarHBondContact OG1-O 2.97Å; L235-H239 HydrophobicContact CB-CB 4.02Å; L235-F241 HydrophobicContact CD1-CB 3.98Å; L235-F241 HydrophobicContact CD1-CD1 3.94Å; L235-F241 HydrophobicContact CD1-CG 4.21Å; L235-Y242 HydrophobicContact CD1-CD2 4.14Å; L235-Y242 HydrophobicContact CD1-CE2 3.78Å
236	P	90	Very high	93.8	Very high	60 Å²	60	34 Å²	34	39%	0.39	18%	0.177	S	C	.	.			trans	-65.6	151.7	172.8	26.5	-31.6	0	0	0	111.1	E238 H239	P236-E238 PolarHBondContact O-N 2.89Å; P236-E238 VanDerWaalsContact O-N 3.16Å; P236-H239 HydrophobicContact CG-CB 4.04Å; P236-H239 WeakPolarHBondContact O-CB 3.32Å; P236-H239 PolarHBondContact O-N 2.98Å
237	P	88.6	Confident	93.3	Very high	59 Å²	59	41 Å²	41	38%	0.383	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-37.5	-176.6	-28.6	36.1	0	0	0	114.6	H239 Q243	P237-H239 VanDerWaalsContact C-N 3.28Å; P237-H239 PolarHBondContact O-N 3.17Å; P237-Q243 PolarHBondContact O-NE2 2.88Å
238	E	89.6	Confident	92.9	Very high	143 Å²	143	43.6 Å²	43.6	67%	0.668	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-2.3	-179.9	63.4	-85.6	-166.2	0	0	114.2	P236	P236-E238 PolarHBondContact O-N 2.89Å; P236-E238 VanDerWaalsContact O-N 3.16Å
239	H	94	Very high	92.2	Very high	54 Å²	54	47.9 Å²	47.9	25%	0.25	26%	0.257	C	S	.	.			trans	-62.1	133.5	-178.2	-168.1	-92.5	0	0	0	111.4	L235 P236 P237 F241 Q243	L235-H239 HydrophobicContact CB-CB 4.02Å; P236-H239 HydrophobicContact CG-CB 4.04Å; P236-H239 WeakPolarHBondContact O-CB 3.32Å; P236-H239 PolarHBondContact O-N 2.98Å; P237-H239 VanDerWaalsContact C-N 3.28Å; P237-H239 PolarHBondContact O-N 3.17Å; H239-F241 WeakPolarHBondContact ND1-CB 3.42Å; H239-F241 PolarHBondContact ND1-N 3.42Å; H239-F241 PolarHBondContact O-N 2.89Å; H239-F241 VanDerWaalsContact O-N 3.08Å; H239-Q243 WeakPolarHBondContact O-CG 3.41Å
240	P	94.6	Very high	91.9	Very high	95 Å²	95	49.5 Å²	49.5	62%	0.617	26%	0.264	S	S	*	.	H	α-helix	trans	-65.2	-19.4	-172.9	24.3	-35.3	0	0	0	114.5	Y242 Q243	P240-Y242 PolarHBondContact O-N 2.77Å; P240-Q243 PolarHBondContact O-N 2.82Å
241	F	96.7	Very high	91.6	Very high	24 Å²	24	49.8 Å²	49.8	11%	0.105	27%	0.266	C	S	.	.	H	α-helix	trans	-56.9	-45.5	-174.5	-178.8	-102.4	0	0	0	113.8	M215 I218 L235 H239 R244 W245	M215-F241 HydrophobicContact CB-CD2 4.11Å; M215-F241 HydrophobicContact CB-CE1 4.41Å; M215-F241 HydrophobicContact CB-CE2 3.63Å; M215-F241 HydrophobicContact CB-CZ 3.81Å; M215-F241 HydrophobicContact CG-CB 4.46Å; M215-F241 HydrophobicContact CG-CD1 3.98Å; M215-F241 HydrophobicContact CG-CD2 3.52Å; M215-F241 HydrophobicContact CG-CE1 4.03Å; M215-F241 HydrophobicContact CG-CE2 3.56Å; M215-F241 HydrophobicContact CG-CG 3.73Å; M215-F241 HydrophobicContact CG-CZ 3.83Å; M215-F241 HydrophobicContact SD-CB 4.19Å; M215-F241 HydrophobicContact SD-CD2 3.58Å; M215-F241 VanDerWaalsContact SD-CD2 3.58Å; M215-F241 HydrophobicContact SD-CE2 4.1Å; M215-F241 HydrophobicContact SD-CG 3.94Å; I218-F241 HydrophobicContact CB-CE1 3.88Å; I218-F241 HydrophobicContact CB-CZ 3.81Å; I218-F241 HydrophobicContact CG1-CE1 4.07Å; I218-F241 HydrophobicContact CG1-CZ 4.45Å; I218-F241 HydrophobicContact CG2-CE1 3.71Å; I218-F241 HydrophobicContact CG2-CZ 3.69Å; L235-F241 HydrophobicContact CD1-CB 3.98Å; L235-F241 HydrophobicContact CD1-CD1 3.94Å; L235-F241 HydrophobicContact CD1-CG 4.21Å; H239-F241 WeakPolarHBondContact ND1-CB 3.42Å; H239-F241 PolarHBondContact ND1-N 3.42Å; H239-F241 PolarHBondContact O-N 2.89Å; H239-F241 VanDerWaalsContact O-N 3.08Å; F241-R244 WeakPolarHBondContact O-CG 3.48Å; F241-R244 PolarHBondContact O-NE 3.36Å; F241-W245 HydrophobicContact CD1-CZ3 4.44Å; F241-W245 HydrophobicContact CE1-CH2 4.5Å; F241-W245 HydrophobicContact CE1-CZ3 4.18Å; F241-W245 HydrophobicContact CZ-CH2 4.44Å; F241-W245 VanDerWaalsContact O-CZ3 3.31Å; F241-W245 WeakPolarHBondContact O-CZ3 3.26Å
242	Y	96.6	Very high	91.6	Very high	5 Å²	5	50.2 Å²	50.2	2%	0.02	27%	0.268	C	S	.	.	H	α-helix	trans	-84.3	-27	179	-73.1	-67.4	0	0	0	112.8	E214 I218 V231 L235 P240 R244 W245 I252 L259 F264	E214-Y242 WeakPolarHBondContact OE1-CE2 3.49Å; E214-Y242 VanDerWaalsContact OE1-CZ 3.27Å; E214-Y242 PolarHBondContact OE1-OH 3.08Å; I218-Y242 HydrophobicContact CD1-CE1 4.24Å; I218-Y242 HydrophobicContact CG1-CE1 4.41Å; I218-Y242 WeakPolarHBondContact CG1-OH 3.44Å; V231-Y242 HydrophobicContact CG1-CE1 4.27Å; V231-Y242 WeakPolarHBondContact CG2-OH 3.42Å; L235-Y242 HydrophobicContact CD1-CD2 4.14Å; L235-Y242 HydrophobicContact CD1-CE2 3.78Å; P240-Y242 PolarHBondContact O-N 2.77Å; Y242-R244 PolarHBondContact O-N 3.15Å; Y242-W245 HydrophobicContact CD1-CE3 4.16Å; Y242-W245 HydrophobicContact CD1-CZ3 4.01Å; Y242-W245 PolarHBondContact O-N 3.07Å; Y242-I252 HydrophobicContact CD1-CD1 3.97Å; Y242-I252 HydrophobicContact CD1-CG2 4.16Å; Y242-I252 HydrophobicContact CE1-CD1 4.4Å; Y242-I252 HydrophobicContact CE1-CG2 4.2Å; Y242-L259 HydrophobicContact CD1-CD1 4.41Å; Y242-L259 HydrophobicContact CD2-CD1 4.44Å; Y242-L259 HydrophobicContact CD2-CD2 3.27Å; Y242-L259 HydrophobicContact CD2-CG 4.5Å; Y242-L259 HydrophobicContact CE2-CD2 3.7Å; Y242-L259 HydrophobicContact CG-CD1 4.26Å; Y242-L259 HydrophobicContact CG-CD2 3.78Å; Y242-F264 WeakPolarHBondContact O-CZ 3.23Å
243	Q	93	Very high	91.6	Very high	53 Å²	53	50.4 Å²	50.4	25%	0.248	27%	0.269	C	S	.	.	H	α-helix	trans	-57.7	-23.2	-177.4	-63.2	-66	-11.4	0	0	113.3	P237 H239 P240 W245 A246 D260 H263	P237-Q243 PolarHBondContact O-NE2 2.88Å; H239-Q243 WeakPolarHBondContact O-CG 3.41Å; P240-Q243 PolarHBondContact O-N 2.82Å; Q243-W245 PolarHBondContact O-N 2.95Å; Q243-W245 VanDerWaalsContact O-N 3.12Å; Q243-A246 VanDerWaalsContact O-CB 3.23Å; Q243-A246 WeakPolarHBondContact O-CB 3.29Å; Q243-A246 PolarHBondContact O-N 2.96Å; Q243-D260 PolarHBondContact NE2-OD2 3.21Å; Q243-H263 PolarHBondContact OE1-CD2 3.11Å; Q243-H263 VanDerWaalsContact OE1-CD2 3.23Å
244	R	92.6	Very high	91.7	Very high	120 Å²	120	50.1 Å²	50.1	45%	0.453	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.1	171.3	72.2	-173.6	165.2	160.9	-5.4	114.5	E219 F241 Y242	E219-R244 IonicContact OE1-CZ 3.42Å; E219-R244 VanDerWaalsContact OE1-CZ 3.31Å; E219-R244 IonicContact OE1-NH1 3.5Å; E219-R244 PolarHBondContact OE1-NH1 3.47Å; E219-R244 IonicContact OE1-NH2 3.32Å; E219-R244 PolarHBondContact OE1-NH2 2.8Å; F241-R244 WeakPolarHBondContact O-CG 3.48Å; F241-R244 PolarHBondContact O-NE 3.36Å; Y242-R244 PolarHBondContact O-N 3.15Å
245	W	93.3	Very high	92	Very high	27 Å²	27	49 Å²	49	10%	0.102	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	5.3	175	-64.2	-78.9	0	0	0	114.5	I218 L222 F241 Y242 Q243 N247 D248 I252 F264	I218-W245 HydrophobicContact CG2-CH2 3.89Å; I218-W245 HydrophobicContact CG2-CZ3 4.42Å; L222-W245 HydrophobicContact CD1-CH2 3.61Å; L222-W245 HydrophobicContact CD1-CZ2 3.33Å; L222-W245 HydrophobicContact CD2-CZ2 4.19Å; L222-W245 HydrophobicContact CG-CZ2 4.39Å; F241-W245 HydrophobicContact CD1-CZ3 4.44Å; F241-W245 HydrophobicContact CE1-CH2 4.5Å; F241-W245 HydrophobicContact CE1-CZ3 4.18Å; F241-W245 HydrophobicContact CZ-CH2 4.44Å; F241-W245 VanDerWaalsContact O-CZ3 3.31Å; F241-W245 WeakPolarHBondContact O-CZ3 3.26Å; Y242-W245 HydrophobicContact CD1-CE3 4.16Å; Y242-W245 HydrophobicContact CD1-CZ3 4.01Å; Y242-W245 PolarHBondContact O-N 3.07Å; Q243-W245 PolarHBondContact O-N 2.95Å; Q243-W245 VanDerWaalsContact O-N 3.12Å; W245-N247 PolarHBondContact O-N 3.44Å; W245-D248 HydrophobicContact CB-CB 4.05Å; W245-D248 HydrophobicContact CG-CB 4.32Å; W245-D248 PolarHBondContact O-N 3.34Å; W245-I252 HydrophobicContact CB-CD1 3.82Å; W245-I252 HydrophobicContact CD2-CD1 3.52Å; W245-I252 HydrophobicContact CE3-CD1 3.45Å; W245-I252 VanDerWaalsContact CE3-CD1 3.45Å; W245-I252 HydrophobicContact CG-CD1 3.7Å; W245-I252 HydrophobicContact CZ3-CD1 4.02Å; W245-F264 HydrophobicContact CB-CE1 4.31Å
246	A	87.9	Confident	92.1	Very high	17 Å²	17	49.2 Å²	49.2	14%	0.14	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-33.5	-176.8	0	0	0	0	0	113.6	Q243 H263 F264	Q243-A246 VanDerWaalsContact O-CB 3.23Å; Q243-A246 WeakPolarHBondContact O-CB 3.29Å; Q243-A246 PolarHBondContact O-N 2.96Å; A246-H263 HydrophobicContact CB-CB 3.73Å; A246-F264 HydrophobicContact CB-CZ 4.48Å
247	N	83.1	Confident	92.2	Very high	156 Å²	156	47 Å²	47	83%	0.834	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.2	12.3	178.1	-63.1	-55.3	0	0	0	113.1	W245	W245-N247 PolarHBondContact O-N 3.44Å
248	D	85	Confident	92.5	Very high	62 Å²	62	45.8 Å²	45.8	33%	0.332	24%	0.239	S	C	.	.			trans	-86.6	147.1	-176.8	-164.2	-77.5	0	0	0	111.1	W245 F250 K421	W245-D248 HydrophobicContact CB-CB 4.05Å; W245-D248 HydrophobicContact CG-CB 4.32Å; W245-D248 PolarHBondContact O-N 3.34Å; D248-F250 PolarHBondContact O-N 2.99Å; D248-F250 WeakPolarHBondContact OD1-CA 3.42Å; D248-F250 WeakPolarHBondContact OD1-CB 3.38Å; D248-F250 PolarHBondContact OD1-N 3.43Å; D248-K421 PolarHBondContact O-NZ 3.27Å
249	P	82.9	Confident	92.7	Very high	91 Å²	91	39.2 Å²	39.2	59%	0.591	21%	0.209	S	C	*	.	S	Bend	trans	-64.6	-20.9	172.1	25.6	-35.8	0	0	0	113.7	P251	P249-P251 VanDerWaalsContact O-CD 3.29Å; P249-P251 WeakPolarHBondContact O-CD 3.49Å
250	F	91	Very high	92.7	Very high	34 Å²	34	38.1 Å²	38.1	15%	0.149	21%	0.205	C	C	.	.	S	Bend	trans	-64.2	117.6	-179	-175.7	-106	0	0	0	112.3	L222 V226 I229 D248 I252	L222-F250 HydrophobicContact CD2-CD1 4.31Å; L222-F250 HydrophobicContact CD2-CE1 3.73Å; L222-F250 HydrophobicContact CD2-CE2 4.38Å; L222-F250 HydrophobicContact CD2-CZ 3.76Å; V226-F250 HydrophobicContact CG2-CE2 4.46Å; V226-F250 HydrophobicContact CG2-CZ 4.03Å; V226-F250 VanDerWaalsContact O-CE2 3.31Å; V226-F250 WeakPolarHBondContact O-CE2 3.34Å; I229-F250 HydrophobicContact CB-CE1 4.2Å; I229-F250 HydrophobicContact CB-CZ 4.38Å; I229-F250 HydrophobicContact CD1-CE1 3.8Å; I229-F250 HydrophobicContact CD1-CZ 3.93Å; I229-F250 HydrophobicContact CG1-CE1 3.94Å; I229-F250 HydrophobicContact CG1-CZ 3.8Å; D248-F250 PolarHBondContact O-N 2.99Å; D248-F250 WeakPolarHBondContact OD1-CA 3.42Å; D248-F250 WeakPolarHBondContact OD1-CB 3.38Å; D248-F250 PolarHBondContact OD1-N 3.43Å; F250-I252 HydrophobicContact CD1-CD1 4.11Å; F250-I252 HydrophobicContact CD1-CG1 3.71Å; F250-I252 HydrophobicContact CE1-CD1 4.23Å; F250-I252 HydrophobicContact CE1-CG1 3.79Å; F250-I252 PolarHBondContact O-N 2.85Å
251	P	93.4	Very high	92.6	Very high	7 Å²	7	42.3 Å²	42.3	5%	0.045	21%	0.208	C	C	.	.			trans	-74.1	121.4	-177	-18	32.8	0	0	0	112.7	D227 A228 I229 P249 L416	D227-P251 WeakPolarHBondContact O-CD 3.27Å; A228-P251 WeakPolarHBondContact CA-O 3.2Å; A228-P251 HydrophobicContact CB-CB 3.97Å; A228-P251 HydrophobicContact CB-CG 4.27Å; I229-P251 PolarHBondContact N-O 3.39Å; P249-P251 VanDerWaalsContact O-CD 3.29Å; P249-P251 WeakPolarHBondContact O-CD 3.49Å; P251-L416 HydrophobicContact CG-CD2 3.97Å; P251-L416 HydrophobicContact CG-CG 4.35Å
252	I	96.6	Very high	92.3	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.046	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.6	166.7	-55.5	-176.3	0	0	0	108.1	I229 V231 Y242 W245 F250 L259 F264	I229-I252 HydrophobicContact CB-CG1 4.48Å; I229-I252 HydrophobicContact CG2-CG2 4.39Å; I229-I252 WeakPolarHBondContact O-CA 3.27Å; V231-I252 HydrophobicContact CG1-CG2 4.12Å; Y242-I252 HydrophobicContact CD1-CD1 3.97Å; Y242-I252 HydrophobicContact CD1-CG2 4.16Å; Y242-I252 HydrophobicContact CE1-CD1 4.4Å; Y242-I252 HydrophobicContact CE1-CG2 4.2Å; W245-I252 HydrophobicContact CB-CD1 3.82Å; W245-I252 HydrophobicContact CD2-CD1 3.52Å; W245-I252 HydrophobicContact CE3-CD1 3.45Å; W245-I252 VanDerWaalsContact CE3-CD1 3.45Å; W245-I252 HydrophobicContact CG-CD1 3.7Å; W245-I252 HydrophobicContact CZ3-CD1 4.02Å; F250-I252 HydrophobicContact CD1-CD1 4.11Å; F250-I252 HydrophobicContact CD1-CG1 3.71Å; F250-I252 HydrophobicContact CE1-CD1 4.23Å; F250-I252 HydrophobicContact CE1-CG1 3.79Å; F250-I252 PolarHBondContact O-N 2.85Å; I252-L259 HydrophobicContact CG2-CD1 3.82Å; I252-F264 HydrophobicContact CB-CD1 4.11Å; I252-F264 HydrophobicContact CB-CE1 4.2Å; I252-F264 HydrophobicContact CG2-CD1 4.46Å
253	V	97.3	Very high	92.1	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.7	-179.5	-178.4	0	0	0	0	109	I229 I230 V231 T265 V408 I411 V412	I229-V253 PolarHBondContact O-N 2.77Å; I230-V253 CarbonylContact C-O 3.49Å; I230-V253 VanDerWaalsContact CA-O 3.26Å; I230-V253 WeakPolarHBondContact CA-O 3.4Å; V231-V253 PolarHBondContact N-O 3.12Å; V253-T265 WeakPolarHBondContact CA-O 3.47Å; V253-V408 HydrophobicContact CG1-CG1 4.22Å; V253-I411 HydrophobicContact CG1-CG2 4.11Å; V253-I411 HydrophobicContact CG2-CB 4.49Å; V253-I411 HydrophobicContact CG2-CG2 3.63Å; V253-V412 HydrophobicContact CB-CG2 4.19Å; V253-V412 HydrophobicContact CG2-CG2 3.71Å
254	A	97.3	Very high	92.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	143.4	176	0	0	0	0	0	110.9	V231 R257 L259 T265 S266 V267	V231-A254 CarbonylContact O-C 3.44Å; V231-A254 VanDerWaalsContact O-CA 3.25Å; V231-A254 WeakPolarHBondContact O-CA 3.48Å; A254-R257 VanDerWaalsContact CB-O 3.25Å; A254-R257 WeakPolarHBondContact CB-O 3.42Å; A254-L259 HydrophobicContact CB-CB 4.09Å; A254-L259 HydrophobicContact CB-CD1 4Å; A254-L259 HydrophobicContact CB-CG 3.77Å; A254-T265 PolarHBondContact N-O 3.34Å; A254-S266 VanDerWaalsContact CB-OG 3.22Å; A254-S266 WeakPolarHBondContact CB-OG 3.44Å; A254-S266 CarbonylContact O-C 3.12Å; A254-S266 WeakPolarHBondContact O-CA 3.39Å; A254-V267 PolarHBondContact O-N 2.94Å
255	L	96.7	Very high	92.3	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.7	178.2	166.1	67	0	0	0	108.6	L174 I187 I230 V231 S232 R257 V267 V404 V408	L174-L255 HydrophobicContact CD1-CD2 4.38Å; I187-L255 HydrophobicContact CD1-CD1 4.39Å; I187-L255 HydrophobicContact CG2-CD1 4.33Å; I187-L255 HydrophobicContact CG2-CD2 3.82Å; I230-L255 HydrophobicContact CG2-CB 3.86Å; I230-L255 HydrophobicContact CG2-CD2 4.26Å; V231-L255 PolarHBondContact O-N 2.91Å; S232-L255 WeakPolarHBondContact CA-O 3.41Å; S232-L255 WeakPolarHBondContact CB-O 3.48Å; S232-L255 PolarHBondContact OG-O 3.08Å; L255-R257 PolarHBondContact O-N 3.11Å; L255-V267 CarbonylContact C-O 3.27Å; L255-V267 WeakPolarHBondContact CA-O 3.22Å; L255-V404 HydrophobicContact CD1-CG1 3.31Å; L255-V408 HydrophobicContact CD1-CG2 4.05Å
256	D	94.1	Very high	92.5	Very high	14 Å²	14	42.4 Å²	42.4	8%	0.075	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.4	-50.6	178.1	-169.8	66.6	0	0	0	114	Y184 V267 V268	Y184-D256 HydrophobicContact CE1-CB 4.02Å; Y184-D256 PolarHBondContact OH-OD2 2.73Å; Y184-D256 VanDerWaalsContact OH-OD2 3.11Å; D256-V267 PolarHBondContact N-O 2.84Å; D256-V268 WeakPolarHBondContact O-CG1 3.39Å
257	R	92.7	Very high	93	Very high	13 Å²	13	41.6 Å²	41.6	5%	0.049	21%	0.21	C	C	.	.	S	Bend	trans	-114.7	130.8	178.6	-57.1	175.2	-173.9	178.2	3.7	109.7	D209 T233 A254 L255	D209-R257 VanDerWaalsContact CG-NH2 3.34Å; D209-R257 IonicContact OD1-CZ 3.48Å; D209-R257 IonicContact OD1-NH1 3.74Å; D209-R257 PolarHBondContact OD1-NH1 2.97Å; D209-R257 IonicContact OD1-NH2 3.99Å; D209-R257 PolarHBondContact OD1-NH2 3.09Å; D209-R257 IonicContact OD2-NH2 2.76Å; D209-R257 PolarHBondContact OD2-NH2 3.26Å; T233-R257 HydrophobicContact CG2-CB 4.21Å; T233-R257 WeakPolarHBondContact O-CD 3.42Å; T233-R257 PolarHBondContact O-NH1 3.21Å; A254-R257 VanDerWaalsContact CB-O 3.25Å; A254-R257 WeakPolarHBondContact CB-O 3.42Å; L255-R257 PolarHBondContact O-N 3.11Å
258	A	93.5	Very high	93.5	Very high	33 Å²	33	34.7 Å²	34.7	27%	0.273	17%	0.173	S	C	.	.			trans	-80.9	140.5	-172	0	0	0	0	0	112.5	V268 L426	A258-V268 HydrophobicContact CB-CG1 4.13Å; A258-L426 HydrophobicContact CB-CD1 4.02Å
259	L	94.9	Very high	94	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.026	16%	0.159	C	C	.	.			trans	-83.2	179.9	158.9	-71.3	171.9	0	0	0	110	V231 T233 Y242 I252 A254 R261 F264 S266	V231-L259 HydrophobicContact CG1-CD1 4.15Å; T233-L259 HydrophobicContact CG2-CD2 3.8Å; T233-L259 HydrophobicContact CG2-CG 4.19Å; Y242-L259 HydrophobicContact CD1-CD1 4.41Å; Y242-L259 HydrophobicContact CD2-CD1 4.44Å; Y242-L259 HydrophobicContact CD2-CD2 3.27Å; Y242-L259 HydrophobicContact CD2-CG 4.5Å; Y242-L259 HydrophobicContact CE2-CD2 3.7Å; Y242-L259 HydrophobicContact CG-CD1 4.26Å; Y242-L259 HydrophobicContact CG-CD2 3.78Å; I252-L259 HydrophobicContact CG2-CD1 3.82Å; A254-L259 HydrophobicContact CB-CB 4.09Å; A254-L259 HydrophobicContact CB-CD1 4Å; A254-L259 HydrophobicContact CB-CG 3.77Å; L259-R261 PolarHBondContact O-N 2.9Å; L259-R261 VanDerWaalsContact O-N 3.08Å; L259-F264 HydrophobicContact CB-CB 3.72Å; L259-F264 HydrophobicContact CB-CD2 3.86Å; L259-F264 HydrophobicContact CB-CG 3.9Å; L259-F264 HydrophobicContact CD1-CB 4.14Å; L259-F264 HydrophobicContact CD1-CD1 4.14Å; L259-F264 HydrophobicContact CD1-CD2 4.34Å; L259-F264 HydrophobicContact CD1-CG 3.91Å; L259-S266 PolarHBondContact N-OG 3.44Å
260	D	93.2	Very high	94.6	Very high	32 Å²	32	27.8 Å²	27.8	17%	0.171	13%	0.133	C	C	.	.			trans	-53.7	115.9	172.8	-171.5	-13.6	0	0	0	111.6	Q243 E262 H263 F264	Q243-D260 PolarHBondContact NE2-OD2 3.21Å; D260-E262 PolarHBondContact O-N 3.47Å; D260-E262 WeakPolarHBondContact OD1-CB 3.43Å; D260-E262 PolarHBondContact OD1-N 3.12Å; D260-H263 PolarHBondContact O-N 3.46Å; D260-H263 IonicContact OD2-CD2 3.06Å; D260-H263 PolarHBondContact OD2-CD2 2.87Å; D260-F264 HydrophobicContact CB-CD2 4.21Å; D260-F264 WeakPolarHBondContact O-CB 3.38Å; D260-F264 WeakPolarHBondContact O-CD2 3.42Å; D260-F264 PolarHBondContact O-N 2.76Å
261	R	92.3	Very high	94.9	Very high	182 Å²	182	26.4 Å²	26.4	69%	0.687	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.4	-176.6	66.6	-178.3	-179.7	-177.7	-1.4	113.7	L259 H263 P424 G425	L259-R261 PolarHBondContact O-N 2.9Å; L259-R261 VanDerWaalsContact O-N 3.08Å; R261-H263 VanDerWaalsContact C-N 3.28Å; R261-P424 WeakPolarHBondContact O-CB 3.47Å; R261-G425 PolarHBondContact O-N 2.97Å
262	E	91.6	Very high	95.1	Very high	139 Å²	139	29.6 Å²	29.6	65%	0.65	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-26.7	177.1	-62.8	-168	176.2	0	0	111.5	D260 P424	D260-E262 PolarHBondContact O-N 3.47Å; D260-E262 WeakPolarHBondContact OD1-CB 3.43Å; D260-E262 PolarHBondContact OD1-N 3.12Å; E262-P424 WeakPolarHBondContact O-CB 3.46Å
263	H	92.1	Very high	95.2	Very high	65 Å²	65	32.4 Å²	32.4	30%	0.301	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-30	-170.9	-62.4	-51.2	0	0	0	113.9	Q243 A246 D260 R261	Q243-H263 PolarHBondContact OE1-CD2 3.11Å; Q243-H263 VanDerWaalsContact OE1-CD2 3.23Å; A246-H263 HydrophobicContact CB-CB 3.73Å; D260-H263 PolarHBondContact O-N 3.46Å; D260-H263 IonicContact OD2-CD2 3.06Å; D260-H263 PolarHBondContact OD2-CD2 2.87Å; R261-H263 VanDerWaalsContact C-N 3.28Å
264	F	95.1	Very high	95.2	Very high	9 Å²	9	32.4 Å²	32.4	4%	0.039	16%	0.156	C	C	.	.			trans	-117.1	153	-173.6	-58.1	-78.4	0	0	0	112.4	Y242 W245 A246 I252 L259 D260 G425	Y242-F264 WeakPolarHBondContact O-CZ 3.23Å; W245-F264 HydrophobicContact CB-CE1 4.31Å; A246-F264 HydrophobicContact CB-CZ 4.48Å; I252-F264 HydrophobicContact CB-CD1 4.11Å; I252-F264 HydrophobicContact CB-CE1 4.2Å; I252-F264 HydrophobicContact CG2-CD1 4.46Å; L259-F264 HydrophobicContact CB-CB 3.72Å; L259-F264 HydrophobicContact CB-CD2 3.86Å; L259-F264 HydrophobicContact CB-CG 3.9Å; L259-F264 HydrophobicContact CD1-CB 4.14Å; L259-F264 HydrophobicContact CD1-CD1 4.14Å; L259-F264 HydrophobicContact CD1-CD2 4.34Å; L259-F264 HydrophobicContact CD1-CG 3.91Å; D260-F264 HydrophobicContact CB-CD2 4.21Å; D260-F264 WeakPolarHBondContact O-CB 3.38Å; D260-F264 WeakPolarHBondContact O-CD2 3.42Å; D260-F264 PolarHBondContact O-N 2.76Å; F264-G425 PolarHBondContact O-N 3.46Å
265	T	95.5	Very high	95.3	Very high	17 Å²	17	32.4 Å²	32.4	10%	0.104	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	130.3	168.4	-54.2	0	0	0	0	109	V253 A254 I411 K423 G425	V253-T265 WeakPolarHBondContact CA-O 3.47Å; A254-T265 PolarHBondContact N-O 3.34Å; T265-I411 HydrophobicContact CG2-CD1 3.77Å; T265-I411 HydrophobicContact CG2-CG1 4.35Å; T265-I411 HydrophobicContact CG2-CG2 3.79Å; T265-K423 PolarHBondContact OG1-O 3.31Å; T265-G425 WeakPolarHBondContact CA-O 3.37Å
266	S	96.5	Very high	95.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	136	179.8	-59.3	0	0	0	0	110.7	A254 L259 G425 T427	A254-S266 VanDerWaalsContact CB-OG 3.22Å; A254-S266 WeakPolarHBondContact CB-OG 3.44Å; A254-S266 CarbonylContact O-C 3.12Å; A254-S266 WeakPolarHBondContact O-CA 3.39Å; L259-S266 PolarHBondContact N-OG 3.44Å; S266-G425 PolarHBondContact N-O 2.68Å; S266-T427 PolarHBondContact O-N 2.79Å
267	V	97.5	Very high	95.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	112.3	170.6	-176	0	0	0	0	108.4	A254 L255 D256 V404 R407 V408 I411 T427 I429	A254-V267 PolarHBondContact O-N 2.94Å; L255-V267 CarbonylContact C-O 3.27Å; L255-V267 WeakPolarHBondContact CA-O 3.22Å; D256-V267 PolarHBondContact N-O 2.84Å; V267-V404 HydrophobicContact CG1-CG1 4.24Å; V267-R407 HydrophobicContact CG1-CB 4.49Å; V267-R407 HydrophobicContact CG1-CG 4.29Å; V267-R407 HydrophobicContact CG2-CG 4.02Å; V267-V408 HydrophobicContact CB-CG2 3.59Å; V267-V408 HydrophobicContact CG1-CG2 4.07Å; V267-V408 HydrophobicContact CG2-CG2 3.57Å; V267-I411 HydrophobicContact CG2-CD1 3.46Å; V267-I411 VanDerWaalsContact CG2-CD1 3.46Å; V267-T427 WeakPolarHBondContact CA-O 3.33Å; V267-I429 HydrophobicContact CG1-CD1 3.72Å; V267-I429 HydrophobicContact CG1-CG1 4.4Å
268	V	95.6	Very high	95.9	Very high	12 Å²	12	36.4 Å²	36.4	7%	0.073	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	165.9	-172.7	-56.7	0	0	0	0	111.7	D256 A258 L426 T427 R428 I429	D256-V268 WeakPolarHBondContact O-CG1 3.39Å; A258-V268 HydrophobicContact CB-CG1 4.13Å; V268-L426 HydrophobicContact CB-CD1 4.2Å; V268-L426 HydrophobicContact CG1-CD1 3.7Å; V268-L426 HydrophobicContact CG2-CD1 3.4Å; V268-L426 VanDerWaalsContact CG2-CD1 3.4Å; V268-L426 HydrophobicContact CG2-CD2 3.95Å; V268-L426 HydrophobicContact CG2-CG 3.72Å; V268-T427 PolarHBondContact N-O 3.28Å; V268-R428 HydrophobicContact CG2-CG 3.93Å; V268-R428 WeakPolarHBondContact O-CA 3.21Å; V268-I429 PolarHBondContact O-N 3.45Å
269	G	94.8	Very high	96.1	Very high	3 Å²	3	34.9 Å²	34.9	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	160	168.4	0	0	0	0	0	112.3	D271	G269-D271 PolarHBondContact O-N 2.89Å; G269-D271 VanDerWaalsContact O-N 3.14Å
270	A	96	Very high	96.3	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.033	18%	0.179	C	C	.	.			trans	-85.2	52.8	168.5	0	0	0	0	0	110.1	Q272 D273 D274 R428 I429 K430	A270-Q272 VanDerWaalsContact C-N 3.3Å; A270-Q272 PolarHBondContact O-N 2.84Å; A270-Q272 VanDerWaalsContact O-N 3.1Å; A270-D273 HydrophobicContact CB-CB 4.25Å; A270-D273 PolarHBondContact O-N 2.98Å; A270-D273 VanDerWaalsContact O-N 3.09Å; A270-D274 PolarHBondContact N-OD2 3.23Å; A270-D274 WeakPolarHBondContact O-CB 3.5Å; A270-D274 VanDerWaalsContact O-CG 3.22Å; A270-D274 PolarHBondContact O-N 3.48Å; A270-R428 HydrophobicContact CB-CB 4.47Å; A270-I429 PolarHBondContact N-O 3.42Å; A270-K430 HydrophobicContact CB-CB 4.49Å; A270-K430 HydrophobicContact CB-CG 3.84Å
271	D	96.5	Very high	96.5	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.027	18%	0.177	C	C	.	.	H	α-helix	trans	-55.1	-36.7	-162.1	-70.8	-74.4	0	0	0	115.5	G269 A275 L304 R305 R431	G269-D271 PolarHBondContact O-N 2.89Å; G269-D271 VanDerWaalsContact O-N 3.14Å; D271-A275 WeakPolarHBondContact O-CB 3.3Å; D271-A275 PolarHBondContact O-N 2.88Å; D271-A275 VanDerWaalsContact O-N 3.09Å; D271-L304 HydrophobicContact CB-CB 4.05Å; D271-R305 HydrophobicContact CB-CG 3.98Å; D271-R305 IonicContact OD1-CZ 3.71Å; D271-R305 VanDerWaalsContact OD1-CZ 3.31Å; D271-R305 IonicContact OD1-NE 2.68Å; D271-R305 PolarHBondContact OD1-NE 3.06Å; D271-R305 IonicContact OD1-NH2 3.28Å; D271-R305 PolarHBondContact OD1-NH2 3.4Å; D271-R431 IonicContact OD1-CZ 2.63Å; D271-R431 IonicContact OD1-NH1 3.48Å; D271-R431 PolarHBondContact OD1-NH1 3.36Å; D271-R431 IonicContact OD1-NH2 2.68Å; D271-R431 PolarHBondContact OD1-NH2 2.92Å; D271-R431 IonicContact OD2-NH1 3.95Å
272	Q	97.7	Very high	96.8	Very high	74 Å²	74	29.6 Å²	29.6	35%	0.346	15%	0.145	S	C	.	.	H	α-helix	trans	-69.2	-55.3	174.8	-176	176.6	-19.8	0	0	111.5	A270 D274 A275 E276 L304 G308	A270-Q272 VanDerWaalsContact C-N 3.3Å; A270-Q272 PolarHBondContact O-N 2.84Å; A270-Q272 VanDerWaalsContact O-N 3.1Å; Q272-D274 VanDerWaalsContact C-N 3.3Å; Q272-D274 PolarHBondContact O-N 2.92Å; Q272-A275 PolarHBondContact O-N 3.06Å; Q272-E276 WeakPolarHBondContact O-CB 3.25Å; Q272-E276 PolarHBondContact O-N 3.19Å; Q272-L304 WeakPolarHBondContact CA-O 3.25Å; Q272-L304 HydrophobicContact CB-CB 4.27Å; Q272-L304 HydrophobicContact CB-CD2 4.29Å; Q272-G308 WeakPolarHBondContact O-CA 3.2Å
273	D	98.2	Very high	97.1	Very high	69 Å²	69	27.3 Å²	27.3	37%	0.369	13%	0.13	S	C	.	.	H	α-helix	trans	-59	-40.6	178.9	-59.6	2.7	0	0	0	112	A270 M277 K430	A270-D273 HydrophobicContact CB-CB 4.25Å; A270-D273 PolarHBondContact O-N 2.98Å; A270-D273 VanDerWaalsContact O-N 3.09Å; D273-M277 WeakPolarHBondContact O-CB 3.31Å; D273-M277 PolarHBondContact O-N 2.86Å; D273-K430 IonicContact OD2-NZ 2.85Å
274	D	98.4	Very high	97.3	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.011	15%	0.145	C	C	.	.	H	α-helix	trans	-66.8	-39.4	179.4	-67.8	-33.6	0	0	0	110.7	A270 Q272 L278 F381 R431	A270-D274 PolarHBondContact N-OD2 3.23Å; A270-D274 WeakPolarHBondContact O-CB 3.5Å; A270-D274 VanDerWaalsContact O-CG 3.22Å; A270-D274 PolarHBondContact O-N 3.48Å; Q272-D274 VanDerWaalsContact C-N 3.3Å; Q272-D274 PolarHBondContact O-N 2.92Å; D274-L278 VanDerWaalsContact O-CB 3.25Å; D274-L278 WeakPolarHBondContact O-CB 3.33Å; D274-L278 PolarHBondContact O-N 2.89Å; D274-F381 HydrophobicContact CB-CE1 4.11Å; D274-F381 HydrophobicContact CB-CZ 4.06Å; D274-R431 HydrophobicContact CB-CB 4.48Å; D274-R431 PolarHBondContact OD1-N 3.09Å; D274-R431 WeakPolarHBondContact OD2-CD 3.3Å; D274-R431 WeakPolarHBondContact OD2-CG 3.4Å; D274-R431 IonicContact OD2-CZ 3.44Å; D274-R431 PolarHBondContact OD2-N 2.75Å; D274-R431 IonicContact OD2-NE 3.65Å; D274-R431 IonicContact OD2-NH1 3.39Å; D274-R431 PolarHBondContact OD2-NH1 2.94Å
275	A	98.7	Very high	97.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-72.1	-39.8	177.6	0	0	0	0	0	112	D271 Q272 L278 A279 R305 F351 F381	D271-A275 WeakPolarHBondContact O-CB 3.3Å; D271-A275 PolarHBondContact O-N 2.88Å; D271-A275 VanDerWaalsContact O-N 3.09Å; Q272-A275 PolarHBondContact O-N 3.06Å; A275-L278 PolarHBondContact O-N 2.91Å; A275-A279 WeakPolarHBondContact O-CB 3.18Å; A275-A279 PolarHBondContact O-N 2.84Å; A275-R305 HydrophobicContact CB-CB 4.07Å; A275-R305 HydrophobicContact CB-CG 4.33Å; A275-R305 WeakPolarHBondContact CB-O 3.18Å; A275-F351 HydrophobicContact CB-CZ 4.17Å; A275-F381 HydrophobicContact CB-CE2 3.91Å; A275-F381 HydrophobicContact CB-CZ 3.78Å
276	E	98.7	Very high	97.3	Very high	53 Å²	53	36.9 Å²	36.9	25%	0.248	18%	0.182	C	C	.	.	H	α-helix	trans	-59.5	-53.3	173.9	-173.8	175.6	176.6	0	0	110.4	Q272 L278 A279 E280 G308 T311 A312	Q272-E276 WeakPolarHBondContact O-CB 3.25Å; Q272-E276 PolarHBondContact O-N 3.19Å; E276-L278 VanDerWaalsContact C-N 3.35Å; E276-L278 PolarHBondContact O-N 2.94Å; E276-A279 PolarHBondContact O-N 3.04Å; E276-E280 WeakPolarHBondContact O-CB 3.32Å; E276-E280 WeakPolarHBondContact O-CG 3.48Å; E276-E280 PolarHBondContact O-N 3.12Å; E276-G308 WeakPolarHBondContact CA-O 3.5Å; E276-T311 HydrophobicContact CG-CG2 4.41Å; E276-T311 WeakPolarHBondContact OE1-CG2 3.18Å; E276-A312 HydrophobicContact CG-CB 4.18Å
277	M	98.6	Very high	97.2	Very high	60 Å²	60	37.5 Å²	37.5	30%	0.296	19%	0.186	S	C	.	.	H	α-helix	trans	-55.8	-47.2	176.4	176.9	-165.9	65	0	0	112.2	D273 A279 E280 E281 V397 L433	D273-M277 WeakPolarHBondContact O-CB 3.31Å; D273-M277 PolarHBondContact O-N 2.86Å; M277-A279 VanDerWaalsContact C-N 3.35Å; M277-E280 PolarHBondContact O-N 3Å; M277-E281 WeakPolarHBondContact O-CG 3.48Å; M277-E281 PolarHBondContact O-N 2.75Å; M277-E281 VanDerWaalsContact O-N 3.15Å; M277-V397 HydrophobicContact CE-CG1 3.75Å; M277-L433 HydrophobicContact CE-CB 3.95Å; M277-L433 HydrophobicContact SD-CB 4.42Å
278	L	98.7	Very high	96.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.8	-41.3	179.9	177.1	58.9	0	0	0	111.6	D274 A275 E276 E281 L282 F351 A379 F381 L395 V397 L433	D274-L278 VanDerWaalsContact O-CB 3.25Å; D274-L278 WeakPolarHBondContact O-CB 3.33Å; D274-L278 PolarHBondContact O-N 2.89Å; A275-L278 PolarHBondContact O-N 2.91Å; E276-L278 VanDerWaalsContact C-N 3.35Å; E276-L278 PolarHBondContact O-N 2.94Å; L278-E281 PolarHBondContact O-N 2.74Å; L278-L282 PolarHBondContact O-N 3.43Å; L278-F351 HydrophobicContact CB-CE2 4Å; L278-F351 HydrophobicContact CB-CZ 4.43Å; L278-F351 HydrophobicContact CD2-CD2 4.4Å; L278-F351 HydrophobicContact CD2-CE2 3.67Å; L278-F351 HydrophobicContact CD2-CZ 3.84Å; L278-F351 HydrophobicContact CG-CD2 4.33Å; L278-F351 HydrophobicContact CG-CE2 3.61Å; L278-F351 HydrophobicContact CG-CZ 4.21Å; L278-A379 HydrophobicContact CD1-CB 3.73Å; L278-A379 HydrophobicContact CD2-CB 4.06Å; L278-A379 HydrophobicContact CG-CB 3.79Å; L278-F381 HydrophobicContact CD2-CD2 4.01Å; L278-F381 HydrophobicContact CD2-CE2 4.05Å; L278-L395 HydrophobicContact CD1-CB 3.58Å; L278-L395 HydrophobicContact CD1-CD1 4.45Å; L278-V397 HydrophobicContact CB-CG1 3.96Å; L278-V397 HydrophobicContact CD1-CG1 4.13Å; L278-V397 HydrophobicContact CD2-CG1 4.16Å; L278-V397 HydrophobicContact CD2-CG2 3.78Å; L278-V397 HydrophobicContact CG-CG1 4.29Å; L278-L433 HydrophobicContact CD1-CD1 3.98Å
279	A	98.7	Very high	97	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69.3	-36.4	179.9	0	0	0	0	0	111.8	A275 E276 M277 L282 R283 F309 A312 W313 F351	A275-A279 WeakPolarHBondContact O-CB 3.18Å; A275-A279 PolarHBondContact O-N 2.84Å; E276-A279 PolarHBondContact O-N 3.04Å; M277-A279 VanDerWaalsContact C-N 3.35Å; A279-L282 PolarHBondContact O-N 2.81Å; A279-R283 WeakPolarHBondContact O-CB 3.33Å; A279-R283 PolarHBondContact O-N 3Å; A279-F309 HydrophobicContact CB-CB 4.35Å; A279-F309 HydrophobicContact CB-CD2 3.71Å; A279-F309 HydrophobicContact CB-CE2 4.35Å; A279-F309 HydrophobicContact CB-CG 4.3Å; A279-A312 HydrophobicContact CB-CB 3.6Å; A279-W313 PolarHBondContact O-NE1 2.81Å; A279-F351 HydrophobicContact CB-CD2 4.36Å; A279-F351 HydrophobicContact CB-CE2 3.85Å
280	E	98.3	Very high	97.1	Very high	78 Å²	78	45.3 Å²	45.3	36%	0.364	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-40.4	172.3	-76	-174.4	149.9	0	0	112.4	E276 M277 R283 A312	E276-E280 WeakPolarHBondContact O-CB 3.32Å; E276-E280 WeakPolarHBondContact O-CG 3.48Å; E276-E280 PolarHBondContact O-N 3.12Å; M277-E280 PolarHBondContact O-N 3Å; E280-R283 WeakPolarHBondContact O-CB 3.03Å; E280-R283 PolarHBondContact O-N 3.18Å; E280-A312 HydrophobicContact CG-CB 3.73Å
281	E	98.3	Very high	97.3	Very high	30 Å²	30	45.1 Å²	45.1	14%	0.14	22%	0.222	C	C	.	.	H	α-helix	trans	-68.7	-41.2	175.1	-70.2	-69.2	140	0	0	111.7	M277 L278 R283 K284 L395 L433 R435	M277-E281 WeakPolarHBondContact O-CG 3.48Å; M277-E281 PolarHBondContact O-N 2.75Å; M277-E281 VanDerWaalsContact O-N 3.15Å; L278-E281 PolarHBondContact O-N 2.74Å; E281-R283 VanDerWaalsContact C-N 3.29Å; E281-R283 PolarHBondContact O-N 3.28Å; E281-K284 WeakPolarHBondContact O-CB 3.33Å; E281-K284 PolarHBondContact O-N 3.11Å; E281-K284 IonicContact OE1-NZ 3.98Å; E281-K284 PolarHBondContact OE1-NZ 2.77Å; E281-K284 IonicContact OE2-NZ 2.77Å; E281-K284 PolarHBondContact OE2-NZ 3.46Å; E281-L395 HydrophobicContact CB-CD1 3.57Å; E281-L395 HydrophobicContact CB-CD2 4.41Å; E281-L433 HydrophobicContact CG-CD2 3.78Å; E281-R435 IonicContact OE1-NH2 2.74Å; E281-R435 IonicContact OE2-CZ 2.75Å; E281-R435 IonicContact OE2-NH1 3.16Å; E281-R435 PolarHBondContact OE2-NH1 3.38Å; E281-R435 IonicContact OE2-NH2 3.42Å; E281-R435 PolarHBondContact OE2-NH2 2.84Å
282	L	98.4	Very high	97.4	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-39.9	175	-177.6	65.9	0	0	0	111.4	L278 A279 K284 F285 W313 A349 F351 A377 A379 L395	L278-L282 PolarHBondContact O-N 3.43Å; A279-L282 PolarHBondContact O-N 2.81Å; L282-K284 PolarHBondContact O-N 3.48Å; L282-F285 WeakPolarHBondContact O-CD2 3.3Å; L282-F285 PolarHBondContact O-N 3.21Å; L282-W313 HydrophobicContact CD2-CZ2 4.36Å; L282-W313 HydrophobicContact CG-CZ2 4.39Å; L282-A349 HydrophobicContact CD1-CB 4.17Å; L282-A349 HydrophobicContact CD2-CB 4.26Å; L282-A349 HydrophobicContact CG-CB 4.28Å; L282-F351 HydrophobicContact CD2-CB 4.02Å; L282-F351 HydrophobicContact CD2-CD2 4.08Å; L282-A377 HydrophobicContact CD1-CB 3.8Å; L282-A379 HydrophobicContact CB-CB 4.04Å; L282-A379 HydrophobicContact CD1-CB 4Å; L282-A379 HydrophobicContact CD2-CB 3.85Å; L282-A379 HydrophobicContact CG-CB 4.17Å; L282-L395 HydrophobicContact CB-CD1 4.32Å
283	R	97.1	Very high	97.4	Very high	90 Å²	90	41.4 Å²	41.4	34%	0.34	20%	0.204	S	C	.	.	H	α-helix	trans	-56.9	-23.9	-179.9	-164.2	178	55.8	172	-9.7	112.9	A279 E280 E281 F285 A312 W313 D316 R318	A279-R283 WeakPolarHBondContact O-CB 3.33Å; A279-R283 PolarHBondContact O-N 3Å; E280-R283 WeakPolarHBondContact O-CB 3.03Å; E280-R283 PolarHBondContact O-N 3.18Å; E281-R283 VanDerWaalsContact C-N 3.29Å; E281-R283 PolarHBondContact O-N 3.28Å; R283-F285 PolarHBondContact O-N 2.54Å; R283-A312 WeakPolarHBondContact CD-O 3.36Å; R283-A312 VanDerWaalsContact CZ-O 3.3Å; R283-A312 PolarHBondContact NH1-O 2.85Å; R283-W313 HydrophobicContact CB-CZ2 3.96Å; R283-W313 HydrophobicContact CG-CD2 4.49Å; R283-W313 HydrophobicContact CG-CH2 4.42Å; R283-W313 HydrophobicContact CG-CZ2 4.19Å; R283-D316 WeakPolarHBondContact CD-OD2 3.39Å; R283-D316 WeakPolarHBondContact CG-OD2 3.42Å; R283-R318 PolarHBondContact O-NH1 3.47Å; R283-R318 PolarHBondContact O-NH2 2.77Å
284	K	96.7	Very high	97.4	Very high	139 Å²	139	38.2 Å²	38.2	60%	0.604	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-14.8	178.8	-59.3	175.3	-170.5	175.6	0	113.6	E281 L282	E281-K284 WeakPolarHBondContact O-CB 3.33Å; E281-K284 PolarHBondContact O-N 3.11Å; E281-K284 IonicContact OE1-NZ 3.98Å; E281-K284 PolarHBondContact OE1-NZ 2.77Å; E281-K284 IonicContact OE2-NZ 2.77Å; E281-K284 PolarHBondContact OE2-NZ 3.46Å; L282-K284 PolarHBondContact O-N 3.48Å
285	F	96.7	Very high	97.3	Very high	38 Å²	38	38.1 Å²	38.1	17%	0.167	19%	0.187	C	C	.	.	S	Bend	trans	-84.8	144.8	178.3	-69.4	-91.3	0	0	0	111.2	L282 R283 A287 R318 A377 P393 L395 L439	L282-F285 WeakPolarHBondContact O-CD2 3.3Å; L282-F285 PolarHBondContact O-N 3.21Å; R283-F285 PolarHBondContact O-N 2.54Å; F285-A287 PolarHBondContact O-N 3.19Å; F285-R318 PolarHBondContact O-NH1 3.27Å; F285-A377 HydrophobicContact CB-CB 3.65Å; F285-A377 HydrophobicContact CD1-CB 4.03Å; F285-A377 HydrophobicContact CD2-CB 4.25Å; F285-A377 HydrophobicContact CG-CB 3.7Å; F285-P393 HydrophobicContact CD1-CB 4.15Å; F285-P393 HydrophobicContact CD1-CG 3.83Å; F285-P393 HydrophobicContact CE1-CB 3.45Å; F285-P393 VanDerWaalsContact CE1-CB 3.45Å; F285-P393 HydrophobicContact CE1-CG 3.65Å; F285-P393 HydrophobicContact CZ-CB 3.96Å; F285-L395 HydrophobicContact CD2-CD1 4.48Å; F285-L395 HydrophobicContact CE2-CD1 3.89Å; F285-L395 HydrophobicContact CE2-CG 4.33Å; F285-L439 HydrophobicContact CE1-CD1 4.49Å; F285-L439 HydrophobicContact CE1-CD2 4.05Å; F285-L439 HydrophobicContact CZ-CD1 3.75Å; F285-L439 HydrophobicContact CZ-CD2 3.91Å; F285-L439 HydrophobicContact CZ-CG 4.42Å
286	P	93	Very high	96.9	Very high	116 Å²	116	39.6 Å²	39.6	75%	0.753	20%	0.195	S	C	*	.			trans	-67.9	124.1	172.7	29.3	-33.1	0	0	0	109.4
287	A	94	Very high	96.5	Very high	13 Å²	13	40 Å²	40	11%	0.107	20%	0.202	C	C	.	.			trans	-158.5	146.7	174.7	0	0	0	0	0	107.7	F285 R318 Q348 A349	F285-A287 PolarHBondContact O-N 3.19Å; A287-R318 WeakPolarHBondContact O-CD 3.37Å; A287-Q348 HydrophobicContact CB-CB 3.67Å; A287-A349 HydrophobicContact CB-CB 3.7Å
288	E	92.9	Very high	96	Very high	150 Å²	150	43.7 Å²	43.7	70%	0.701	22%	0.219	S	C	*	.	S	Bend	trans	-100.8	-36.5	171	-60.4	-179.5	172.6	0	0	110.1
289	T	96.1	Very high	95.3	Very high	30 Å²	30	45.1 Å²	45.1	18%	0.184	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135	178.9	58.4	0	0	0	0	112	Q348 A349	T289-Q348 PolarHBondContact O-N 3.11Å; T289-Q348 VanDerWaalsContact O-N 3.16Å; T289-Q348 PolarHBondContact OG1-N 3.06Å; T289-A349 PolarHBondContact O-N 2.88Å; T289-A349 VanDerWaalsContact O-N 3.09Å
290	V	98.2	Very high	94.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.6	-178.3	-169.7	0	0	0	0	109.2	F309 W313 R318 E319 V320 H321 A349	V290-F309 HydrophobicContact CG1-CZ 4.1Å; V290-W313 HydrophobicContact CB-CH2 4.39Å; V290-W313 HydrophobicContact CB-CZ3 4.47Å; V290-W313 HydrophobicContact CG1-CH2 4.13Å; V290-W313 HydrophobicContact CG1-CZ2 4.3Å; V290-W313 HydrophobicContact CG2-CE3 4.44Å; V290-W313 HydrophobicContact CG2-CH2 3.43Å; V290-W313 VanDerWaalsContact CG2-CH2 3.43Å; V290-W313 HydrophobicContact CG2-CZ2 4.38Å; V290-W313 HydrophobicContact CG2-CZ3 3.49Å; V290-W313 VanDerWaalsContact CG2-CZ3 3.49Å; V290-R318 HydrophobicContact CG2-CB 4.42Å; V290-E319 PolarHBondContact N-O 3.04Å; V290-V320 HydrophobicContact CB-CB 4.46Å; V290-V320 HydrophobicContact CB-CG1 4.33Å; V290-V320 HydrophobicContact CB-CG2 4.12Å; V290-V320 HydrophobicContact CG1-CG1 4.35Å; V290-V320 HydrophobicContact CG2-CG2 4.45Å; V290-V320 WeakPolarHBondContact O-CA 3.24Å; V290-H321 PolarHBondContact O-N 3.34Å; V290-A349 CarbonylContact C-O 3.32Å; V290-A349 VanDerWaalsContact CA-O 3.32Å; V290-A349 WeakPolarHBondContact CA-O 3.42Å; V290-A349 HydrophobicContact CB-CB 4.41Å; V290-A349 HydrophobicContact CG1-CB 4.06Å; V290-A349 HydrophobicContact CG2-CB 4.15Å
291	L	98.7	Very high	94.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	119	172.1	179.2	63	0	0	0	110.2	H321 L323 F337 W340 P347 A349 L350 F351	L291-H321 HydrophobicContact CD1-CB 3.9Å; L291-L323 HydrophobicContact CD1-CB 3.92Å; L291-L323 HydrophobicContact CD1-CD2 4.49Å; L291-F337 HydrophobicContact CD2-CD2 3.78Å; L291-F337 HydrophobicContact CD2-CE2 3.48Å; L291-F337 VanDerWaalsContact CD2-CE2 3.48Å; L291-W340 HydrophobicContact CD1-CZ2 4.19Å; L291-W340 HydrophobicContact CD2-CE3 4.26Å; L291-W340 HydrophobicContact CD2-CH2 4.4Å; L291-W340 HydrophobicContact CD2-CZ3 4.22Å; L291-P347 HydrophobicContact CB-CB 3.84Å; L291-P347 HydrophobicContact CB-CG 3.85Å; L291-P347 HydrophobicContact CD2-CG 4.25Å; L291-A349 PolarHBondContact N-O 3.35Å; L291-L350 HydrophobicContact CB-CD1 4.17Å; L291-L350 HydrophobicContact CD2-CD1 3.95Å; L291-L350 HydrophobicContact CG-CD1 4.15Å; L291-F351 PolarHBondContact O-N 2.6Å
292	Y	98.7	Very high	94.2	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	118.4	162.7	-179.6	-83.6	0	0	0	109.2	E306 F309 H321 F322 L323 Y324 F351 T353	Y292-E306 HydrophobicContact CE1-CB 4.41Å; Y292-E306 HydrophobicContact CE1-CG 4.46Å; Y292-E306 VanDerWaalsContact OH-CA 3.24Å; Y292-E306 WeakPolarHBondContact OH-CA 3.2Å; Y292-E306 WeakPolarHBondContact OH-CB 3.37Å; Y292-E306 PolarHBondContact OH-N 2.63Å; Y292-E306 VanDerWaalsContact OH-N 3.08Å; Y292-F309 HydrophobicContact CD2-CB 4.05Å; Y292-F309 HydrophobicContact CD2-CD1 4.04Å; Y292-F309 AromaticContact CD2-CD2 3.81Å; Y292-F309 HydrophobicContact CD2-CD2 3.81Å; Y292-F309 HydrophobicContact CD2-CE2 4.3Å; Y292-F309 AromaticContact CD2-CG 3.67Å; Y292-F309 HydrophobicContact CD2-CG 3.67Å; Y292-F309 HydrophobicContact CE2-CB 3.88Å; Y292-F309 HydrophobicContact CE2-CD2 4.37Å; Y292-F309 HydrophobicContact CE2-CG 4.03Å; Y292-H321 PolarHBondContact N-O 3.23Å; Y292-F322 AromaticContact CD1-CD1 3.56Å; Y292-F322 HydrophobicContact CD1-CD1 3.56Å; Y292-F322 HydrophobicContact CD1-CE1 4.05Å; Y292-F322 HydrophobicContact CD2-CE1 4.37Å; Y292-F322 HydrophobicContact CE1-CD1 4.31Å; Y292-F322 AromaticContact CG-CD1 3.75Å; Y292-F322 HydrophobicContact CG-CD1 3.75Å; Y292-F322 AromaticContact CG-CE1 3.85Å; Y292-F322 HydrophobicContact CG-CE1 3.85Å; Y292-L323 PolarHBondContact O-N 3.32Å; Y292-Y324 HydrophobicContact CE1-CE1 4.07Å; Y292-F351 WeakPolarHBondContact CA-O 3.2Å; Y292-F351 HydrophobicContact CD2-CB 4.38Å; Y292-F351 AromaticContact CD2-CD1 3.58Å; Y292-F351 HydrophobicContact CD2-CD1 3.58Å; Y292-F351 HydrophobicContact CD2-CE1 4.15Å; Y292-F351 HydrophobicContact CD2-CG 4.2Å; Y292-F351 AromaticContact CE2-CD1 3.64Å; Y292-F351 HydrophobicContact CE2-CD1 3.64Å; Y292-F351 AromaticContact CE2-CE1 3.75Å; Y292-F351 HydrophobicContact CE2-CE1 3.75Å; Y292-T353 HydrophobicContact CE1-CG2 3.97Å; Y292-T353 HydrophobicContact CE2-CG2 3.88Å; Y292-T353 WeakPolarHBondContact OH-CG2 3.38Å
293	L	98.8	Very high	94	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	105.1	177.6	-180	59.4	0	0	0	110.3	L323 L336 F351 T352 T353 L357 V361	L293-L323 WeakPolarHBondContact CA-O 3.35Å; L293-L323 HydrophobicContact CD1-CB 3.97Å; L293-L323 HydrophobicContact CD1-CD2 4Å; L293-L323 HydrophobicContact CD1-CG 3.93Å; L293-L336 HydrophobicContact CD1-CD2 4.43Å; L293-F351 PolarHBondContact N-O 3.32Å; L293-T352 HydrophobicContact CB-CG2 4.26Å; L293-T352 HydrophobicContact CD2-CG2 4.29Å; L293-T352 WeakPolarHBondContact O-CA 3.41Å; L293-T353 PolarHBondContact O-N 3.15Å; L293-L357 HydrophobicContact CD2-CB 4.1Å; L293-L357 HydrophobicContact CG-CB 4.27Å; L293-L357 HydrophobicContact CG-CD1 4.32Å; L293-L357 WeakPolarHBondContact O-CD1 3.25Å; L293-V361 HydrophobicContact CD2-CG2 3.4Å
294	G	98.2	Very high	94	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-177.1	174.7	0	0	0	0	0	113.4	L323 Y324 A325 T353	G294-L323 PolarHBondContact N-O 2.74Å; G294-Y324 WeakPolarHBondContact O-CA 3.23Å; G294-A325 PolarHBondContact O-N 3.23Å; G294-T353 WeakPolarHBondContact CA-OG1 3.29Å
295	A	95.4	Very high	94	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	153.4	168.1	0	0	0	0	0	110.2	S302 A325 S327 Y328 L357	A295-S302 PolarHBondContact O-OG 3.37Å; A295-A325 CarbonylContact C-O 3.58Å; A295-A325 WeakPolarHBondContact CA-O 3.4Å; A295-A325 HydrophobicContact CB-CB 4.03Å; A295-S327 VanDerWaalsContact CB-O 3.23Å; A295-S327 WeakPolarHBondContact CB-O 3.08Å; A295-Y328 HydrophobicContact CB-CD1 3.79Å; A295-Y328 HydrophobicContact CB-CD2 4.11Å; A295-Y328 HydrophobicContact CB-CE1 3.83Å; A295-Y328 HydrophobicContact CB-CE2 4.1Å; A295-Y328 HydrophobicContact CB-CG 3.96Å; A295-Y328 PolarHBondContact O-OH 2.6Å; A295-L357 HydrophobicContact CB-CD1 4.12Å; A295-L357 HydrophobicContact CB-CD2 4.19Å
296	L	90.6	Very high	94.1	Very high	31 Å²	31	41.5 Å²	41.5	16%	0.162	22%	0.223	C	C	.	.			trans	47	68.3	175.4	-62.2	173.6	0	0	0	112.1	E298 L299 S302 A325 N326 Y328	L296-E298 WeakPolarHBondContact CB-OE1 3.37Å; L296-E298 VanDerWaalsContact CD2-OE1 3.28Å; L296-E298 WeakPolarHBondContact CD2-OE1 3.42Å; L296-E298 PolarHBondContact O-N 3.21Å; L296-E298 VanDerWaalsContact O-N 3.11Å; L296-L299 HydrophobicContact CB-CD1 3.75Å; L296-L299 HydrophobicContact CB-CG 3.93Å; L296-L299 HydrophobicContact CD1-CD1 3.66Å; L296-L299 HydrophobicContact CD1-CG 4.48Å; L296-L299 HydrophobicContact CG-CD1 4.37Å; L296-L299 PolarHBondContact O-N 3.29Å; L296-S302 WeakPolarHBondContact O-CB 3.48Å; L296-S302 PolarHBondContact O-OG 3.36Å; L296-A325 PolarHBondContact N-O 2.94Å; L296-N326 WeakPolarHBondContact CD2-O 3.22Å; L296-Y328 HydrophobicContact CB-CE2 4.33Å; L296-Y328 HydrophobicContact CD1-CD2 3.97Å; L296-Y328 HydrophobicContact CD1-CE2 4.24Å
297	P	91.3	Very high	94.4	Very high	62 Å²	62	39.3 Å²	39.3	40%	0.403	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.2	-171.5	24	-34.2	0	0	0	114.4	L299 Y324	P297-L299 VanDerWaalsContact C-N 3.3Å; P297-L299 PolarHBondContact O-N 2.99Å; P297-Y324 HydrophobicContact CB-CD1 3.76Å; P297-Y324 HydrophobicContact CB-CE1 3.96Å; P297-Y324 HydrophobicContact CB-CG 4.29Å; P297-Y324 HydrophobicContact CG-CD1 4.24Å; P297-Y324 HydrophobicContact CG-CG 4.39Å
298	E	86.6	Confident	94.6	Very high	138 Å²	138	38.7 Å²	38.7	65%	0.645	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-16.9	176.4	66.4	-72.8	165.7	0	0	114.2	L296	L296-E298 WeakPolarHBondContact CB-OE1 3.37Å; L296-E298 VanDerWaalsContact CD2-OE1 3.28Å; L296-E298 WeakPolarHBondContact CD2-OE1 3.42Å; L296-E298 PolarHBondContact O-N 3.21Å; L296-E298 VanDerWaalsContact O-N 3.11Å
299	L	85.1	Confident	94.8	Very high	30 Å²	30	31.6 Å²	31.6	16%	0.157	16%	0.164	C	C	.	.	S	Bend	trans	-73.9	141.7	176.3	-67.9	-179.3	0	0	0	111.6	L296 P297 V301 S302 F303 Y328	L296-L299 HydrophobicContact CB-CD1 3.75Å; L296-L299 HydrophobicContact CB-CG 3.93Å; L296-L299 HydrophobicContact CD1-CD1 3.66Å; L296-L299 HydrophobicContact CD1-CG 4.48Å; L296-L299 HydrophobicContact CG-CD1 4.37Å; L296-L299 PolarHBondContact O-N 3.29Å; P297-L299 VanDerWaalsContact C-N 3.3Å; P297-L299 PolarHBondContact O-N 2.99Å; L299-V301 VanDerWaalsContact C-N 3.29Å; L299-V301 HydrophobicContact CB-CG2 4.19Å; L299-V301 PolarHBondContact O-N 3.01Å; L299-S302 WeakPolarHBondContact O-CB 3.27Å; L299-S302 PolarHBondContact O-N 3.32Å; L299-F303 PolarHBondContact O-N 3.23Å; L299-Y328 HydrophobicContact CD1-CE2 4.08Å
300	S	86.9	Confident	94.9	Very high	67 Å²	67	35 Å²	35	47%	0.469	17%	0.174	S	C	.	.	H	α-helix	trans	-57.1	-40	179.6	60.6	0	0	0	0	113	S302 F303 L304	S300-S302 VanDerWaalsContact C-N 3.34Å; S300-S302 PolarHBondContact O-N 2.96Å; S300-F303 PolarHBondContact O-N 3.14Å; S300-L304 WeakPolarHBondContact O-CB 3.49Å; S300-L304 VanDerWaalsContact O-CG 3.24Å; S300-L304 WeakPolarHBondContact O-CG 3.48Å; S300-L304 PolarHBondContact O-N 2.93Å
301	V	91.4	Very high	95	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.042	19%	0.194	C	C	.	.	H	α-helix	trans	-64.1	-38.7	176.7	-64.5	0	0	0	0	112	L299 R305	L299-V301 VanDerWaalsContact C-N 3.29Å; L299-V301 HydrophobicContact CB-CG2 4.19Å; L299-V301 PolarHBondContact O-N 3.01Å; V301-R305 WeakPolarHBondContact O-CB 3.48Å; V301-R305 VanDerWaalsContact O-CG 3.25Å; V301-R305 WeakPolarHBondContact O-CG 3.41Å; V301-R305 PolarHBondContact O-N 3.06Å
302	S	93.4	Very high	94.9	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	20%	0.195	C	C	.	.	H	α-helix	trans	-66.6	-46.5	178.8	-53.3	0	0	0	0	110.6	A295 L296 L299 S300 R305 E306 Y328	A295-S302 PolarHBondContact O-OG 3.37Å; L296-S302 WeakPolarHBondContact O-CB 3.48Å; L296-S302 PolarHBondContact O-OG 3.36Å; L299-S302 WeakPolarHBondContact O-CB 3.27Å; L299-S302 PolarHBondContact O-N 3.32Å; S300-S302 VanDerWaalsContact C-N 3.34Å; S300-S302 PolarHBondContact O-N 2.96Å; S302-R305 PolarHBondContact O-N 3.28Å; S302-E306 PolarHBondContact O-N 2.68Å; S302-E306 VanDerWaalsContact O-N 3.09Å; S302-Y328 PolarHBondContact OG-OH 3.34Å
303	F	94.2	Very high	94.8	Very high	114 Å²	114	39.1 Å²	39.1	50%	0.5	20%	0.197	S	C	.	.	H	α-helix	trans	-59.2	-49	175.1	177.8	-97.6	0	0	0	112.1	L299 S300 R305 E306 Q307	L299-F303 PolarHBondContact O-N 3.23Å; S300-F303 PolarHBondContact O-N 3.14Å; F303-R305 PolarHBondContact O-N 2.74Å; F303-E306 PolarHBondContact O-N 3.48Å; F303-Q307 HydrophobicContact CD1-CG 4.23Å; F303-Q307 HydrophobicContact CE1-CG 3.89Å; F303-Q307 HydrophobicContact CE2-CG 4.21Å; F303-Q307 HydrophobicContact CZ-CG 3.89Å; F303-Q307 VanDerWaalsContact O-CG 3.28Å; F303-Q307 WeakPolarHBondContact O-CG 3.4Å; F303-Q307 PolarHBondContact O-N 2.95Å
304	L	96.4	Very high	94.7	Very high	58 Å²	58	47 Å²	47	30%	0.304	23%	0.232	S	C	.	.	H	α-helix	trans	-63.6	-41.9	-178.5	-71.7	172	0	0	0	112.4	D271 Q272 S300 Q307 G308	D271-L304 HydrophobicContact CB-CB 4.05Å; Q272-L304 WeakPolarHBondContact CA-O 3.25Å; Q272-L304 HydrophobicContact CB-CB 4.27Å; Q272-L304 HydrophobicContact CB-CD2 4.29Å; S300-L304 WeakPolarHBondContact O-CB 3.49Å; S300-L304 VanDerWaalsContact O-CG 3.24Å; S300-L304 WeakPolarHBondContact O-CG 3.48Å; S300-L304 PolarHBondContact O-N 2.93Å; L304-Q307 PolarHBondContact O-N 3.08Å; L304-G308 PolarHBondContact O-N 3.48Å
305	R	98	Very high	94.5	Very high	20 Å²	20	53.9 Å²	53.9	8%	0.075	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-40.4	177.7	-70.3	177.2	-170.2	159	12.9	111.8	D271 A275 V301 S302 F303 G308 F309 T353 F381	D271-R305 HydrophobicContact CB-CG 3.98Å; D271-R305 IonicContact OD1-CZ 3.71Å; D271-R305 VanDerWaalsContact OD1-CZ 3.31Å; D271-R305 IonicContact OD1-NE 2.68Å; D271-R305 PolarHBondContact OD1-NE 3.06Å; D271-R305 IonicContact OD1-NH2 3.28Å; D271-R305 PolarHBondContact OD1-NH2 3.4Å; A275-R305 HydrophobicContact CB-CB 4.07Å; A275-R305 HydrophobicContact CB-CG 4.33Å; A275-R305 WeakPolarHBondContact CB-O 3.18Å; V301-R305 WeakPolarHBondContact O-CB 3.48Å; V301-R305 VanDerWaalsContact O-CG 3.25Å; V301-R305 WeakPolarHBondContact O-CG 3.41Å; V301-R305 PolarHBondContact O-N 3.06Å; S302-R305 PolarHBondContact O-N 3.28Å; F303-R305 PolarHBondContact O-N 2.74Å; R305-G308 PolarHBondContact O-N 3.23Å; R305-F309 PolarHBondContact O-N 3.36Å; R305-T353 HydrophobicContact CB-CG2 4.35Å; R305-T353 PolarHBondContact NH1-O 2.97Å; R305-F381 HydrophobicContact CG-CE1 4.07Å; R305-F381 HydrophobicContact CG-CE2 4.1Å; R305-F381 HydrophobicContact CG-CZ 3.73Å
306	E	98.4	Very high	94.5	Very high	33 Å²	33	55.5 Å²	55.5	15%	0.154	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-42.7	176	-174.6	-176.3	157.9	0	0	111.3	Y292 S302 F303 G308 F309 R310 F322 Y324	Y292-E306 HydrophobicContact CE1-CB 4.41Å; Y292-E306 HydrophobicContact CE1-CG 4.46Å; Y292-E306 VanDerWaalsContact OH-CA 3.24Å; Y292-E306 WeakPolarHBondContact OH-CA 3.2Å; Y292-E306 WeakPolarHBondContact OH-CB 3.37Å; Y292-E306 PolarHBondContact OH-N 2.63Å; Y292-E306 VanDerWaalsContact OH-N 3.08Å; S302-E306 PolarHBondContact O-N 2.68Å; S302-E306 VanDerWaalsContact O-N 3.09Å; F303-E306 PolarHBondContact O-N 3.48Å; E306-G308 VanDerWaalsContact C-N 3.34Å; E306-G308 PolarHBondContact O-N 2.76Å; E306-F309 WeakPolarHBondContact O-CB 3.44Å; E306-F309 PolarHBondContact O-N 2.99Å; E306-R310 HydrophobicContact CG-CG 4.3Å; E306-R310 WeakPolarHBondContact O-CB 3.39Å; E306-R310 WeakPolarHBondContact O-CG 3.49Å; E306-R310 PolarHBondContact O-N 3.26Å; E306-R310 IonicContact OE1-CZ 2.79Å; E306-R310 IonicContact OE1-NE 3.31Å; E306-R310 PolarHBondContact OE1-NE 3.41Å; E306-R310 IonicContact OE1-NH2 3.13Å; E306-R310 PolarHBondContact OE1-NH2 3.27Å; E306-F322 HydrophobicContact CG-CD1 4.48Å; E306-F322 HydrophobicContact CG-CE1 4.11Å; E306-Y324 PolarHBondContact OE1-OH 3.02Å; E306-Y324 PolarHBondContact OE2-OH 2.69Å
307	Q	98.3	Very high	94.6	Very high	69 Å²	69	60.1 Å²	60.1	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-63.7	-39.7	178.9	-69.1	-70.3	45.6	0	0	112.8	F303 L304 R310 T311	F303-Q307 HydrophobicContact CD1-CG 4.23Å; F303-Q307 HydrophobicContact CE1-CG 3.89Å; F303-Q307 HydrophobicContact CE2-CG 4.21Å; F303-Q307 HydrophobicContact CZ-CG 3.89Å; F303-Q307 VanDerWaalsContact O-CG 3.28Å; F303-Q307 WeakPolarHBondContact O-CG 3.4Å; F303-Q307 PolarHBondContact O-N 2.95Å; L304-Q307 PolarHBondContact O-N 3.08Å; Q307-R310 PolarHBondContact O-N 3.21Å; Q307-T311 WeakPolarHBondContact O-CB 3.18Å; Q307-T311 PolarHBondContact O-N 3.17Å; Q307-T311 PolarHBondContact O-OG1 3.04Å
308	G	98.6	Very high	94.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.2	-47.2	172.7	0	0	0	0	0	111.6	Q272 E276 L304 R305 E306 R310 T311 A312	Q272-G308 WeakPolarHBondContact O-CA 3.2Å; E276-G308 WeakPolarHBondContact CA-O 3.5Å; L304-G308 PolarHBondContact O-N 3.48Å; R305-G308 PolarHBondContact O-N 3.23Å; E306-G308 VanDerWaalsContact C-N 3.34Å; E306-G308 PolarHBondContact O-N 2.76Å; G308-R310 PolarHBondContact O-N 2.77Å; G308-T311 PolarHBondContact O-N 3.47Å; G308-A312 PolarHBondContact O-N 3.14Å; G308-A312 VanDerWaalsContact O-N 3.11Å
309	F	98.7	Very high	95.1	Very high	1 Å²	1	58.8 Å²	58.8	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-57.9	-50.5	174.9	178.3	-82.3	0	0	0	112.1	A279 V290 Y292 R305 E306 T311 A312 W313 V320 F322 F351	A279-F309 HydrophobicContact CB-CB 4.35Å; A279-F309 HydrophobicContact CB-CD2 3.71Å; A279-F309 HydrophobicContact CB-CE2 4.35Å; A279-F309 HydrophobicContact CB-CG 4.3Å; V290-F309 HydrophobicContact CG1-CZ 4.1Å; Y292-F309 HydrophobicContact CD2-CB 4.05Å; Y292-F309 HydrophobicContact CD2-CD1 4.04Å; Y292-F309 AromaticContact CD2-CD2 3.81Å; Y292-F309 HydrophobicContact CD2-CD2 3.81Å; Y292-F309 HydrophobicContact CD2-CE2 4.3Å; Y292-F309 AromaticContact CD2-CG 3.67Å; Y292-F309 HydrophobicContact CD2-CG 3.67Å; Y292-F309 HydrophobicContact CE2-CB 3.88Å; Y292-F309 HydrophobicContact CE2-CD2 4.37Å; Y292-F309 HydrophobicContact CE2-CG 4.03Å; R305-F309 PolarHBondContact O-N 3.36Å; E306-F309 WeakPolarHBondContact O-CB 3.44Å; E306-F309 PolarHBondContact O-N 2.99Å; F309-T311 VanDerWaalsContact C-N 3.26Å; F309-T311 PolarHBondContact O-N 2.93Å; F309-A312 PolarHBondContact O-N 2.92Å; F309-W313 HydrophobicContact CE1-CB 4.2Å; F309-W313 HydrophobicContact CE1-CD2 4.46Å; F309-W313 AromaticContact CE1-CG 3.96Å; F309-W313 HydrophobicContact CE1-CG 3.96Å; F309-W313 AromaticContact CE2-CD1 3.82Å; F309-W313 HydrophobicContact CE2-CG 4.36Å; F309-W313 AromaticContact CE2-NE1 3.65Å; F309-W313 AromaticContact CZ-CD1 3.76Å; F309-W313 AromaticContact CZ-CD2 3.97Å; F309-W313 HydrophobicContact CZ-CD2 3.97Å; F309-W313 AromaticContact CZ-CE2 3.97Å; F309-W313 AromaticContact CZ-CG 3.85Å; F309-W313 HydrophobicContact CZ-CG 3.85Å; F309-W313 AromaticContact CZ-NE1 3.85Å; F309-W313 PolarHBondContact O-N 2.94Å; F309-W313 VanDerWaalsContact O-N 3.09Å; F309-V320 HydrophobicContact CE1-CG1 3.69Å; F309-V320 HydrophobicContact CE1-CG2 4.36Å; F309-V320 HydrophobicContact CZ-CG1 3.82Å; F309-V320 HydrophobicContact CZ-CG2 4.41Å; F309-F322 HydrophobicContact CD1-CE1 4.18Å; F309-F322 HydrophobicContact CD1-CZ 4.16Å; F309-F322 HydrophobicContact CE1-CE1 4.36Å; F309-F322 HydrophobicContact CE1-CZ 4.03Å; F309-F351 HydrophobicContact CD2-CB 4.16Å; F309-F351 HydrophobicContact CD2-CD1 4.13Å; F309-F351 AromaticContact CD2-CD2 3.64Å; F309-F351 HydrophobicContact CD2-CD2 3.64Å; F309-F351 HydrophobicContact CD2-CE1 4.41Å; F309-F351 AromaticContact CD2-CE2 3.93Å; F309-F351 HydrophobicContact CD2-CE2 3.93Å; F309-F351 AromaticContact CD2-CG 3.72Å; F309-F351 HydrophobicContact CD2-CG 3.72Å; F309-F351 HydrophobicContact CD2-CZ 4.3Å; F309-F351 HydrophobicContact CE2-CB 3.9Å; F309-F351 AromaticContact CE2-CD2 3.97Å; F309-F351 HydrophobicContact CE2-CD2 3.97Å; F309-F351 AromaticContact CE2-CG 3.97Å; F309-F351 HydrophobicContact CE2-CG 3.97Å
310	R	98.2	Very high	95.7	Very high	103 Å²	103	59.1 Å²	59.1	39%	0.389	30%	0.299	S	S	.	.	H	α-helix	trans	-61.4	-35.1	-179.2	-74	-175.3	-178	-67.1	-6.2	112.3	E306 Q307 G308 W313 K314 F322	E306-R310 HydrophobicContact CG-CG 4.3Å; E306-R310 WeakPolarHBondContact O-CB 3.39Å; E306-R310 WeakPolarHBondContact O-CG 3.49Å; E306-R310 PolarHBondContact O-N 3.26Å; E306-R310 IonicContact OE1-CZ 2.79Å; E306-R310 IonicContact OE1-NE 3.31Å; E306-R310 PolarHBondContact OE1-NE 3.41Å; E306-R310 IonicContact OE1-NH2 3.13Å; E306-R310 PolarHBondContact OE1-NH2 3.27Å; Q307-R310 PolarHBondContact O-N 3.21Å; G308-R310 PolarHBondContact O-N 2.77Å; R310-W313 PolarHBondContact O-N 2.79Å; R310-K314 PolarHBondContact O-N 3.19Å; R310-F322 HydrophobicContact CG-CZ 4.29Å
311	T	98.4	Very high	96.2	Very high	70 Å²	70	57.7 Å²	57.7	43%	0.429	28%	0.284	S	S	.	.	H	α-helix	trans	-66.8	-46.6	177.2	-62	0	0	0	0	110.8	E276 Q307 G308 F309 W313 K314	E276-T311 HydrophobicContact CG-CG2 4.41Å; E276-T311 WeakPolarHBondContact OE1-CG2 3.18Å; Q307-T311 WeakPolarHBondContact O-CB 3.18Å; Q307-T311 PolarHBondContact O-N 3.17Å; Q307-T311 PolarHBondContact O-OG1 3.04Å; G308-T311 PolarHBondContact O-N 3.47Å; F309-T311 VanDerWaalsContact C-N 3.26Å; F309-T311 PolarHBondContact O-N 2.93Å; T311-W313 PolarHBondContact O-N 2.9Å; T311-K314 PolarHBondContact O-N 2.77Å
312	A	98.1	Very high	96.6	Very high	3 Å²	3	60.4 Å²	60.4	3%	0.025	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-26.8	176.7	0	0	0	0	0	113.7	E276 A279 E280 R283 G308 F309	E276-A312 HydrophobicContact CG-CB 4.18Å; A279-A312 HydrophobicContact CB-CB 3.6Å; E280-A312 HydrophobicContact CG-CB 3.73Å; R283-A312 WeakPolarHBondContact CD-O 3.36Å; R283-A312 VanDerWaalsContact CZ-O 3.3Å; R283-A312 PolarHBondContact NH1-O 2.85Å; G308-A312 PolarHBondContact O-N 3.14Å; G308-A312 VanDerWaalsContact O-N 3.11Å; F309-A312 PolarHBondContact O-N 2.92Å
313	W	97	Very high	96.8	Very high	13 Å²	13	61.5 Å²	61.5	5%	0.049	30%	0.301	C	S	.	.	H	α-helix	trans	-106.5	4.1	-175.1	-76.5	72.4	0	0	0	115.1	A279 L282 R283 V290 F309 R310 T311 D315 D316 R318 V320	A279-W313 PolarHBondContact O-NE1 2.81Å; L282-W313 HydrophobicContact CD2-CZ2 4.36Å; L282-W313 HydrophobicContact CG-CZ2 4.39Å; R283-W313 HydrophobicContact CB-CZ2 3.96Å; R283-W313 HydrophobicContact CG-CD2 4.49Å; R283-W313 HydrophobicContact CG-CH2 4.42Å; R283-W313 HydrophobicContact CG-CZ2 4.19Å; V290-W313 HydrophobicContact CB-CH2 4.39Å; V290-W313 HydrophobicContact CB-CZ3 4.47Å; V290-W313 HydrophobicContact CG1-CH2 4.13Å; V290-W313 HydrophobicContact CG1-CZ2 4.3Å; V290-W313 HydrophobicContact CG2-CE3 4.44Å; V290-W313 HydrophobicContact CG2-CH2 3.43Å; V290-W313 VanDerWaalsContact CG2-CH2 3.43Å; V290-W313 HydrophobicContact CG2-CZ2 4.38Å; V290-W313 HydrophobicContact CG2-CZ3 3.49Å; V290-W313 VanDerWaalsContact CG2-CZ3 3.49Å; F309-W313 HydrophobicContact CE1-CB 4.2Å; F309-W313 HydrophobicContact CE1-CD2 4.46Å; F309-W313 AromaticContact CE1-CG 3.96Å; F309-W313 HydrophobicContact CE1-CG 3.96Å; F309-W313 AromaticContact CE2-CD1 3.82Å; F309-W313 HydrophobicContact CE2-CG 4.36Å; F309-W313 AromaticContact CE2-NE1 3.65Å; F309-W313 AromaticContact CZ-CD1 3.76Å; F309-W313 AromaticContact CZ-CD2 3.97Å; F309-W313 HydrophobicContact CZ-CD2 3.97Å; F309-W313 AromaticContact CZ-CE2 3.97Å; F309-W313 AromaticContact CZ-CG 3.85Å; F309-W313 HydrophobicContact CZ-CG 3.85Å; F309-W313 AromaticContact CZ-NE1 3.85Å; F309-W313 PolarHBondContact O-N 2.94Å; F309-W313 VanDerWaalsContact O-N 3.09Å; R310-W313 PolarHBondContact O-N 2.79Å; T311-W313 PolarHBondContact O-N 2.9Å; W313-D315 VanDerWaalsContact C-N 3.3Å; W313-D315 PolarHBondContact O-N 3.36Å; W313-D315 VanDerWaalsContact O-N 3.13Å; W313-D316 HydrophobicContact CD2-CB 4.47Å; W313-D316 HydrophobicContact CE3-CB 3.77Å; W313-D316 HydrophobicContact CZ3-CB 4.36Å; W313-D316 WeakPolarHBondContact O-CB 3.35Å; W313-D316 PolarHBondContact O-N 3.08Å; W313-R318 HydrophobicContact CZ3-CB 4.09Å; W313-V320 HydrophobicContact CE3-CG2 4.02Å
314	K	95.1	Very high	97	Very high	166 Å²	166	58.9 Å²	58.9	72%	0.722	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-40.3	-170.9	-176.7	-178.5	173.3	-173.1	0	115.2	R310 T311	R310-K314 PolarHBondContact O-N 3.19Å; T311-K314 PolarHBondContact O-N 2.77Å
315	D	93.8	Very high	97	Very high	145 Å²	145	56.3 Å²	56.3	78%	0.775	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	12.2	-176	-56.4	-48.5	0	0	0	112.6	W313	W313-D315 VanDerWaalsContact C-N 3.3Å; W313-D315 PolarHBondContact O-N 3.36Å; W313-D315 VanDerWaalsContact O-N 3.13Å
316	D	95.3	Very high	96.8	Very high	34 Å²	34	61.7 Å²	61.7	18%	0.182	31%	0.306	C	S	.	.			trans	-86.4	127.8	179.3	-159.8	-65.7	0	0	0	110.4	R283 W313 R318	R283-D316 WeakPolarHBondContact CD-OD2 3.39Å; R283-D316 WeakPolarHBondContact CG-OD2 3.42Å; W313-D316 HydrophobicContact CD2-CB 4.47Å; W313-D316 HydrophobicContact CE3-CB 3.77Å; W313-D316 HydrophobicContact CZ3-CB 4.36Å; W313-D316 WeakPolarHBondContact O-CB 3.35Å; W313-D316 PolarHBondContact O-N 3.08Å; D316-R318 VanDerWaalsContact C-N 3.26Å; D316-R318 VanDerWaalsContact CG-NE 3.34Å; D316-R318 PolarHBondContact O-N 3.22Å; D316-R318 VanDerWaalsContact OD1-CB 3.29Å; D316-R318 WeakPolarHBondContact OD1-CB 3.4Å; D316-R318 VanDerWaalsContact OD1-CG 3.23Å; D316-R318 WeakPolarHBondContact OD1-CG 3.27Å; D316-R318 IonicContact OD1-CZ 2.92Å; D316-R318 PolarHBondContact OD1-N 3.2Å; D316-R318 VanDerWaalsContact OD1-N 3.09Å; D316-R318 IonicContact OD1-NE 2.74Å; D316-R318 PolarHBondContact OD1-NE 3.18Å; D316-R318 IonicContact OD1-NH2 2.94Å; D316-R318 IonicContact OD2-CZ 3.04Å; D316-R318 IonicContact OD2-NE 2.72Å; D316-R318 PolarHBondContact OD2-NE 3.17Å; D316-R318 IonicContact OD2-NH2 3.82Å; D316-R318 PolarHBondContact OD2-NH2 2.74Å
317	P	94	Very high	96.5	Very high	129 Å²	129	61.2 Å²	61.2	84%	0.838	31%	0.306	S	S	*	.			trans	-78.1	-7.3	-175.4	32.1	-37.2	0	0	0	114.1
318	R	94.9	Very high	96.1	Very high	51 Å²	51	59.8 Å²	59.8	19%	0.192	30%	0.298	C	S	.	.	S	Bend	trans	-71	148.1	-176	-66.8	175.1	-77	-168.7	-12.5	112	R283 F285 A287 V290 W313 D316	R283-R318 PolarHBondContact O-NH1 3.47Å; R283-R318 PolarHBondContact O-NH2 2.77Å; F285-R318 PolarHBondContact O-NH1 3.27Å; A287-R318 WeakPolarHBondContact O-CD 3.37Å; V290-R318 HydrophobicContact CG2-CB 4.42Å; W313-R318 HydrophobicContact CZ3-CB 4.09Å; D316-R318 VanDerWaalsContact C-N 3.26Å; D316-R318 VanDerWaalsContact CG-NE 3.34Å; D316-R318 PolarHBondContact O-N 3.22Å; D316-R318 VanDerWaalsContact OD1-CB 3.29Å; D316-R318 WeakPolarHBondContact OD1-CB 3.4Å; D316-R318 VanDerWaalsContact OD1-CG 3.23Å; D316-R318 WeakPolarHBondContact OD1-CG 3.27Å; D316-R318 IonicContact OD1-CZ 2.92Å; D316-R318 PolarHBondContact OD1-N 3.2Å; D316-R318 VanDerWaalsContact OD1-N 3.09Å; D316-R318 IonicContact OD1-NE 2.74Å; D316-R318 PolarHBondContact OD1-NE 3.18Å; D316-R318 IonicContact OD1-NH2 2.94Å; D316-R318 IonicContact OD2-CZ 3.04Å; D316-R318 IonicContact OD2-NE 2.72Å; D316-R318 PolarHBondContact OD2-NE 3.17Å; D316-R318 IonicContact OD2-NH2 3.82Å; D316-R318 PolarHBondContact OD2-NH2 2.74Å
319	E	93.7	Very high	95.8	Very high	120 Å²	120	65.5 Å²	65.5	56%	0.561	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	128.1	179.2	-174.5	174.3	-156.1	0	0	110.8	V290 H321	V290-E319 PolarHBondContact N-O 3.04Å; E319-H321 IonicContact OE1-CE1 3.42Å; E319-H321 PolarHBondContact OE1-CE1 2.87Å; E319-H321 IonicContact OE1-NE2 3.85Å; E319-H321 IonicContact OE2-NE2 3.78Å
320	V	97.6	Very high	95.7	Very high	38 Å²	38	70.9 Å²	70.9	23%	0.23	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.6	176.8	-171.6	0	0	0	0	110.2	V290 F309 W313 F322	V290-V320 HydrophobicContact CB-CB 4.46Å; V290-V320 HydrophobicContact CB-CG1 4.33Å; V290-V320 HydrophobicContact CB-CG2 4.12Å; V290-V320 HydrophobicContact CG1-CG1 4.35Å; V290-V320 HydrophobicContact CG2-CG2 4.45Å; V290-V320 WeakPolarHBondContact O-CA 3.24Å; F309-V320 HydrophobicContact CE1-CG1 3.69Å; F309-V320 HydrophobicContact CE1-CG2 4.36Å; F309-V320 HydrophobicContact CZ-CG1 3.82Å; F309-V320 HydrophobicContact CZ-CG2 4.41Å; W313-V320 HydrophobicContact CE3-CG2 4.02Å; V320-F322 HydrophobicContact CB-CE2 3.96Å; V320-F322 HydrophobicContact CB-CZ 4.45Å; V320-F322 HydrophobicContact CG1-CD2 4.16Å; V320-F322 HydrophobicContact CG1-CE2 3.55Å; V320-F322 HydrophobicContact CG1-CZ 3.74Å
321	H	97.9	Very high	95.6	Very high	37 Å²	37	70.9 Å²	70.9	17%	0.171	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	141.1	169	-57.4	-82.7	0	0	0	110.3	V290 L291 Y292 E319 W340 H344	V290-H321 PolarHBondContact O-N 3.34Å; L291-H321 HydrophobicContact CD1-CB 3.9Å; Y292-H321 PolarHBondContact N-O 3.23Å; E319-H321 IonicContact OE1-CE1 3.42Å; E319-H321 PolarHBondContact OE1-CE1 2.87Å; E319-H321 IonicContact OE1-NE2 3.85Å; E319-H321 IonicContact OE2-NE2 3.78Å; H321-W340 HydrophobicContact CB-CZ2 4.11Å; H321-W340 AromaticContact CG-CZ2 3.96Å; H321-H344 AromaticContact CE1-CD2 3.87Å
322	F	98.2	Very high	95.5	Very high	63 Å²	63	68.2 Å²	68.2	28%	0.276	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.9	176.2	-68.8	-96.8	0	0	0	109.7	Y292 E306 F309 R310 V320 Y324	Y292-F322 AromaticContact CD1-CD1 3.56Å; Y292-F322 HydrophobicContact CD1-CD1 3.56Å; Y292-F322 HydrophobicContact CD1-CE1 4.05Å; Y292-F322 HydrophobicContact CD2-CE1 4.37Å; Y292-F322 HydrophobicContact CE1-CD1 4.31Å; Y292-F322 AromaticContact CG-CD1 3.75Å; Y292-F322 HydrophobicContact CG-CD1 3.75Å; Y292-F322 AromaticContact CG-CE1 3.85Å; Y292-F322 HydrophobicContact CG-CE1 3.85Å; E306-F322 HydrophobicContact CG-CD1 4.48Å; E306-F322 HydrophobicContact CG-CE1 4.11Å; F309-F322 HydrophobicContact CD1-CE1 4.18Å; F309-F322 HydrophobicContact CD1-CZ 4.16Å; F309-F322 HydrophobicContact CE1-CE1 4.36Å; F309-F322 HydrophobicContact CE1-CZ 4.03Å; R310-F322 HydrophobicContact CG-CZ 4.29Å; V320-F322 HydrophobicContact CB-CE2 3.96Å; V320-F322 HydrophobicContact CB-CZ 4.45Å; V320-F322 HydrophobicContact CG1-CD2 4.16Å; V320-F322 HydrophobicContact CG1-CE2 3.55Å; V320-F322 HydrophobicContact CG1-CZ 3.74Å; F322-Y324 HydrophobicContact CB-CE2 4Å
323	L	97.9	Very high	95.6	Very high	24 Å²	24	68 Å²	68	13%	0.126	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136.9	-178	-168.7	61.3	0	0	0	109.4	L291 Y292 L293 G294 L336 W340	L291-L323 HydrophobicContact CD1-CB 3.92Å; L291-L323 HydrophobicContact CD1-CD2 4.49Å; Y292-L323 PolarHBondContact O-N 3.32Å; L293-L323 WeakPolarHBondContact CA-O 3.35Å; L293-L323 HydrophobicContact CD1-CB 3.97Å; L293-L323 HydrophobicContact CD1-CD2 4Å; L293-L323 HydrophobicContact CD1-CG 3.93Å; G294-L323 PolarHBondContact N-O 2.74Å; L323-L336 HydrophobicContact CD1-CD1 3.75Å; L323-L336 HydrophobicContact CD1-CD2 3.92Å; L323-L336 HydrophobicContact CD1-CG 3.77Å; L323-L336 HydrophobicContact CD2-CD2 4.22Å; L323-L336 HydrophobicContact CD2-CG 3.89Å; L323-L336 HydrophobicContact CG-CD1 4.29Å; L323-L336 HydrophobicContact CG-CD2 3.63Å; L323-L336 HydrophobicContact CG-CG 3.73Å; L323-W340 HydrophobicContact CD2-CB 3.83Å; L323-W340 HydrophobicContact CD2-CG 3.92Å
324	Y	98.2	Very high	95.6	Very high	60 Å²	60	67.5 Å²	67.5	24%	0.235	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	120.6	-177.5	-65.3	-94	0	0	0	111.8	Y292 G294 P297 E306 F322 L336	Y292-Y324 HydrophobicContact CE1-CE1 4.07Å; G294-Y324 WeakPolarHBondContact O-CA 3.23Å; P297-Y324 HydrophobicContact CB-CD1 3.76Å; P297-Y324 HydrophobicContact CB-CE1 3.96Å; P297-Y324 HydrophobicContact CB-CG 4.29Å; P297-Y324 HydrophobicContact CG-CD1 4.24Å; P297-Y324 HydrophobicContact CG-CG 4.39Å; E306-Y324 PolarHBondContact OE1-OH 3.02Å; E306-Y324 PolarHBondContact OE2-OH 2.69Å; F322-Y324 HydrophobicContact CB-CE2 4Å; Y324-L336 WeakPolarHBondContact O-CD2 3.37Å
325	A	97.1	Very high	95.8	Very high	3 Å²	3	65 Å²	65	3%	0.025	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	154.5	167.3	0	0	0	0	0	111.4	G294 A295 L296 S327 A332 L336 L357	G294-A325 PolarHBondContact O-N 3.23Å; A295-A325 CarbonylContact C-O 3.58Å; A295-A325 WeakPolarHBondContact CA-O 3.4Å; A295-A325 HydrophobicContact CB-CB 4.03Å; L296-A325 PolarHBondContact N-O 2.94Å; A325-S327 WeakPolarHBondContact CB-O 3.25Å; A325-S327 PolarHBondContact O-N 3.05Å; A325-A332 HydrophobicContact CB-CB 4.5Å; A325-L336 HydrophobicContact CB-CD2 4.08Å; A325-L357 HydrophobicContact CB-CD2 4.18Å
326	N	93.2	Very high	96	Very high	134 Å²	134	60.3 Å²	60.3	72%	0.717	30%	0.297	S	S	*	.	S	Bend	trans	-82.2	-0.3	175.5	65.2	-19.4	0	0	0	113.2	L296	L296-N326 WeakPolarHBondContact CD2-O 3.22Å
327	S	91.7	Very high	96.2	Very high	22 Å²	22	58.7 Å²	58.7	15%	0.154	29%	0.288	C	S	.	.	S	Bend	trans	-157.4	165	173.6	70.5	0	0	0	0	109.8	A295 A325 E329 A332	A295-S327 VanDerWaalsContact CB-O 3.23Å; A295-S327 WeakPolarHBondContact CB-O 3.08Å; A325-S327 WeakPolarHBondContact CB-O 3.25Å; A325-S327 PolarHBondContact O-N 3.05Å; S327-E329 PolarHBondContact O-N 2.96Å; S327-E329 WeakPolarHBondContact OG-CB 3.37Å; S327-E329 WeakPolarHBondContact OG-CG 3.19Å; S327-E329 PolarHBondContact OG-N 3.24Å; S327-E329 PolarHBondContact OG-OE2 2.83Å; S327-A332 VanDerWaalsContact OG-CB 3.29Å; S327-A332 WeakPolarHBondContact OG-CB 2.94Å
328	Y	90.2	Very high	96.4	Very high	39 Å²	39	57 Å²	57	15%	0.153	27%	0.269	C	S	.	.	S	Bend	trans	-83.7	28.1	173.4	-81.6	-76.2	0	0	0	112.8	A295 L296 L299 S302 A356 L357	A295-Y328 HydrophobicContact CB-CD1 3.79Å; A295-Y328 HydrophobicContact CB-CD2 4.11Å; A295-Y328 HydrophobicContact CB-CE1 3.83Å; A295-Y328 HydrophobicContact CB-CE2 4.1Å; A295-Y328 HydrophobicContact CB-CG 3.96Å; A295-Y328 PolarHBondContact O-OH 2.6Å; L296-Y328 HydrophobicContact CB-CE2 4.33Å; L296-Y328 HydrophobicContact CD1-CD2 3.97Å; L296-Y328 HydrophobicContact CD1-CE2 4.24Å; L299-Y328 HydrophobicContact CD1-CE2 4.08Å; S302-Y328 PolarHBondContact OG-OH 3.34Å; Y328-A356 WeakPolarHBondContact O-CB 3.21Å; Y328-L357 HydrophobicContact CD1-CD1 4.33Å; Y328-L357 HydrophobicContact CD1-CG 4.45Å; Y328-L357 HydrophobicContact CE1-CD1 4.35Å
329	E	93	Very high	96.5	Very high	120 Å²	120	61.4 Å²	61.4	56%	0.561	29%	0.29	S	S	*	.			trans	-94	146.5	-176.7	-64.5	173.3	165.4	0	0	112.3	S327 E331 A332 A333	S327-E329 PolarHBondContact O-N 2.96Å; S327-E329 WeakPolarHBondContact OG-CB 3.37Å; S327-E329 WeakPolarHBondContact OG-CG 3.19Å; S327-E329 PolarHBondContact OG-N 3.24Å; S327-E329 PolarHBondContact OG-OE2 2.83Å; E329-E331 VanDerWaalsContact C-N 3.32Å; E329-E331 PolarHBondContact O-N 3.44Å; E329-A332 HydrophobicContact CB-CB 4.26Å; E329-A332 PolarHBondContact O-N 2.75Å; E329-A333 PolarHBondContact O-N 3.47Å; E329-A333 VanDerWaalsContact O-N 3.14Å
330	R	95.7	Very high	96.7	Very high	114 Å²	114	57 Å²	57	43%	0.43	27%	0.268	S	S	.	.	H	α-helix	trans	-57.3	-43.7	177.1	175.9	177.9	174.4	-164.9	-7.3	112.4	A334 A356 Q359 G360 D363	R330-A334 PolarHBondContact O-N 3.3Å; R330-A356 WeakPolarHBondContact CA-O 3.25Å; R330-Q359 HydrophobicContact CB-CB 4.49Å; R330-Q359 HydrophobicContact CG-CB 3.8Å; R330-G360 VanDerWaalsContact O-CA 3.25Å; R330-G360 WeakPolarHBondContact O-CA 3.24Å; R330-D363 IonicContact CZ-OD1 3.54Å; R330-D363 IonicContact CZ-OD2 2.82Å; R330-D363 IonicContact NE-OD1 3.31Å; R330-D363 PolarHBondContact NE-OD1 2.91Å; R330-D363 IonicContact NE-OD2 2.77Å; R330-D363 PolarHBondContact NE-OD2 3.2Å; R330-D363 IonicContact NH2-OD1 2.85Å; R330-D363 PolarHBondContact NH2-OD1 3.45Å; R330-D363 IonicContact NH2-OD2 3.72Å; R330-D363 PolarHBondContact NH2-OD2 3.25Å
331	E	97.1	Very high	96.7	Very high	104 Å²	104	55.7 Å²	55.7	49%	0.486	26%	0.26	S	S	.	.	H	α-helix	trans	-70.1	-43	-177.3	-176.1	57.7	-151.2	0	0	112	E329 A333 A334 Q335	E329-E331 VanDerWaalsContact C-N 3.32Å; E329-E331 PolarHBondContact O-N 3.44Å; E331-A333 VanDerWaalsContact C-N 3.29Å; E331-A333 PolarHBondContact O-N 3.03Å; E331-A334 WeakPolarHBondContact O-CB 3.08Å; E331-A334 PolarHBondContact O-N 2.9Å; E331-A334 VanDerWaalsContact O-N 3.15Å; E331-Q335 WeakPolarHBondContact O-CG 3.29Å; E331-Q335 PolarHBondContact O-N 3.27Å; E331-Q335 PolarHBondContact OE1-NE2 3.27Å
332	A	96.8	Very high	96.7	Very high	13 Å²	13	61.1 Å²	61.1	11%	0.107	29%	0.285	C	S	.	.	H	α-helix	trans	-59.9	-41.5	176.1	0	0	0	0	0	111.8	A325 S327 E329 L336	A325-A332 HydrophobicContact CB-CB 4.5Å; S327-A332 VanDerWaalsContact OG-CB 3.29Å; S327-A332 WeakPolarHBondContact OG-CB 2.94Å; E329-A332 HydrophobicContact CB-CB 4.26Å; E329-A332 PolarHBondContact O-N 2.75Å; A332-L336 WeakPolarHBondContact O-CB 3.5Å; A332-L336 PolarHBondContact O-N 3.27Å; A332-L336 VanDerWaalsContact O-N 3.15Å
333	A	98.2	Very high	96.6	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.6	-41.4	174.6	0	0	0	0	0	112.7	E329 E331 F337 L357	E329-A333 PolarHBondContact O-N 3.47Å; E329-A333 VanDerWaalsContact O-N 3.14Å; E331-A333 VanDerWaalsContact C-N 3.29Å; E331-A333 PolarHBondContact O-N 3.03Å; A333-F337 WeakPolarHBondContact O-CB 3.33Å; A333-F337 PolarHBondContact O-N 2.98Å; A333-L357 HydrophobicContact CB-CB 4.23Å; A333-L357 HydrophobicContact CB-CD2 3.63Å
334	A	98.5	Very high	96.5	Very high	1 Å²	1	65 Å²	65	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-51.9	178	0	0	0	0	0	111.3	R330 E331 L336 F337 E338 V364	R330-A334 PolarHBondContact O-N 3.3Å; E331-A334 WeakPolarHBondContact O-CB 3.08Å; E331-A334 PolarHBondContact O-N 2.9Å; E331-A334 VanDerWaalsContact O-N 3.15Å; A334-L336 VanDerWaalsContact C-N 3.33Å; A334-L336 PolarHBondContact O-N 3.21Å; A334-F337 PolarHBondContact O-N 3.35Å; A334-E338 VanDerWaalsContact O-CB 3.3Å; A334-E338 WeakPolarHBondContact O-CB 3.43Å; A334-E338 PolarHBondContact O-N 3.03Å; A334-V364 HydrophobicContact CB-CG2 3.8Å; A334-V364 WeakPolarHBondContact O-CG2 3.37Å
335	Q	98.4	Very high	96.4	Very high	114 Å²	114	66.7 Å²	66.7	53%	0.533	33%	0.329	S	S	.	.	H	α-helix	trans	-60.5	-42.9	-179.5	-67.5	174.2	8.8	0	0	112.2	E331 K339	E331-Q335 WeakPolarHBondContact O-CG 3.29Å; E331-Q335 PolarHBondContact O-N 3.27Å; E331-Q335 PolarHBondContact OE1-NE2 3.27Å; Q335-K339 PolarHBondContact O-N 3.23Å
336	L	98.4	Very high	96.3	Very high	47 Å²	47	68 Å²	68	25%	0.246	34%	0.335	C	S	.	.	H	α-helix	trans	-66.2	-43.5	179.1	-178	61.4	0	0	0	112.1	L293 L323 Y324 A325 A332 A334 W340	L293-L336 HydrophobicContact CD1-CD2 4.43Å; L323-L336 HydrophobicContact CD1-CD1 3.75Å; L323-L336 HydrophobicContact CD1-CD2 3.92Å; L323-L336 HydrophobicContact CD1-CG 3.77Å; L323-L336 HydrophobicContact CD2-CD2 4.22Å; L323-L336 HydrophobicContact CD2-CG 3.89Å; L323-L336 HydrophobicContact CG-CD1 4.29Å; L323-L336 HydrophobicContact CG-CD2 3.63Å; L323-L336 HydrophobicContact CG-CG 3.73Å; Y324-L336 WeakPolarHBondContact O-CD2 3.37Å; A325-L336 HydrophobicContact CB-CD2 4.08Å; A332-L336 WeakPolarHBondContact O-CB 3.5Å; A332-L336 PolarHBondContact O-N 3.27Å; A332-L336 VanDerWaalsContact O-N 3.15Å; A334-L336 VanDerWaalsContact C-N 3.33Å; A334-L336 PolarHBondContact O-N 3.21Å; L336-W340 PolarHBondContact O-N 3.23Å
337	F	98.5	Very high	96.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-70	-39.3	-179.5	-175.2	-112.3	0	0	0	112.3	L291 A333 A334 K339 W340 L341 M346 V361 V364	L291-F337 HydrophobicContact CD2-CD2 3.78Å; L291-F337 HydrophobicContact CD2-CE2 3.48Å; L291-F337 VanDerWaalsContact CD2-CE2 3.48Å; A333-F337 WeakPolarHBondContact O-CB 3.33Å; A333-F337 PolarHBondContact O-N 2.98Å; A334-F337 PolarHBondContact O-N 3.35Å; F337-K339 VanDerWaalsContact C-N 3.34Å; F337-K339 PolarHBondContact O-N 3.49Å; F337-W340 HydrophobicContact CD2-CE3 4.21Å; F337-W340 AromaticContact CE2-CE3 3.83Å; F337-W340 HydrophobicContact CE2-CE3 3.83Å; F337-W340 HydrophobicContact CE2-CZ3 4.09Å; F337-W340 PolarHBondContact O-N 3.14Å; F337-L341 HydrophobicContact CD1-CD1 3.95Å; F337-L341 HydrophobicContact CD1-CG 4.35Å; F337-L341 HydrophobicContact CE1-CD1 3.44Å; F337-L341 VanDerWaalsContact CE1-CD1 3.44Å; F337-L341 HydrophobicContact CE1-CD2 4.39Å; F337-L341 HydrophobicContact CE1-CG 3.91Å; F337-L341 HydrophobicContact CE2-CD2 4.42Å; F337-L341 HydrophobicContact CE2-CG 4.29Å; F337-L341 HydrophobicContact CZ-CD1 3.87Å; F337-L341 HydrophobicContact CZ-CD2 3.95Å; F337-L341 HydrophobicContact CZ-CG 3.87Å; F337-L341 WeakPolarHBondContact O-CG 3.45Å; F337-L341 PolarHBondContact O-N 3.44Å; F337-M346 HydrophobicContact CE1-CE 4.08Å; F337-M346 HydrophobicContact CE1-SD 4.07Å; F337-M346 HydrophobicContact CZ-CE 3.65Å; F337-M346 HydrophobicContact CZ-SD 3.63Å; F337-V361 HydrophobicContact CB-CG2 4.33Å; F337-V361 HydrophobicContact CD1-CB 4.18Å; F337-V361 HydrophobicContact CD1-CG1 3.97Å; F337-V361 HydrophobicContact CD1-CG2 4.1Å; F337-V361 HydrophobicContact CD2-CG2 4.14Å; F337-V361 HydrophobicContact CE1-CB 4.33Å; F337-V361 HydrophobicContact CE1-CG1 3.62Å; F337-V361 HydrophobicContact CE1-CG2 4.48Å; F337-V361 HydrophobicContact CE2-CG1 4.43Å; F337-V361 HydrophobicContact CG-CB 4.5Å; F337-V361 HydrophobicContact CG-CG2 3.91Å; F337-V361 HydrophobicContact CZ-CG1 3.88Å; F337-V364 HydrophobicContact CD1-CB 3.96Å; F337-V364 HydrophobicContact CD1-CG1 4.04Å; F337-V364 HydrophobicContact CD1-CG2 4.36Å; F337-V364 HydrophobicContact CE1-CG1 4.49Å
338	E	98.2	Very high	96.8	Very high	93 Å²	93	63.4 Å²	63.4	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-58	-46.6	174.3	-174.5	160.9	-154.8	0	0	111.4	A334 W340 L341 E342 V364 R367	A334-E338 VanDerWaalsContact O-CB 3.3Å; A334-E338 WeakPolarHBondContact O-CB 3.43Å; A334-E338 PolarHBondContact O-N 3.03Å; E338-W340 PolarHBondContact O-N 3.44Å; E338-L341 PolarHBondContact O-N 2.85Å; E338-E342 PolarHBondContact O-N 3.4Å; E338-V364 HydrophobicContact CB-CG1 3.82Å; E338-V364 HydrophobicContact CB-CG2 3.96Å; E338-V364 HydrophobicContact CG-CG1 4.18Å; E338-R367 IonicContact OE2-NH2 3.33Å; E338-R367 PolarHBondContact OE2-NH2 3.04Å
339	K	98.1	Very high	97.2	Very high	144 Å²	144	61.6 Å²	61.6	63%	0.626	30%	0.3	S	S	*	.	H	α-helix	trans	-62.8	-39.2	174.6	-176.2	175.7	-179.3	179.2	0	112.9	Q335 F337 L341 E342	Q335-K339 PolarHBondContact O-N 3.23Å; F337-K339 VanDerWaalsContact C-N 3.34Å; F337-K339 PolarHBondContact O-N 3.49Å; K339-L341 VanDerWaalsContact C-N 3.33Å; K339-L341 PolarHBondContact O-N 3.3Å; K339-E342 WeakPolarHBondContact O-CB 3.28Å; K339-E342 PolarHBondContact O-N 2.99Å
340	W	98	Very high	97.5	Very high	26 Å²	26	55.9 Å²	55.9	10%	0.098	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-39.4	178.4	-177.4	83.7	0	0	0	111.7	L291 H321 L323 L336 F337 E338 E342 T343 H344 P345	L291-W340 HydrophobicContact CD1-CZ2 4.19Å; L291-W340 HydrophobicContact CD2-CE3 4.26Å; L291-W340 HydrophobicContact CD2-CH2 4.4Å; L291-W340 HydrophobicContact CD2-CZ3 4.22Å; H321-W340 HydrophobicContact CB-CZ2 4.11Å; H321-W340 AromaticContact CG-CZ2 3.96Å; L323-W340 HydrophobicContact CD2-CB 3.83Å; L323-W340 HydrophobicContact CD2-CG 3.92Å; L336-W340 PolarHBondContact O-N 3.23Å; F337-W340 HydrophobicContact CD2-CE3 4.21Å; F337-W340 AromaticContact CE2-CE3 3.83Å; F337-W340 HydrophobicContact CE2-CE3 3.83Å; F337-W340 HydrophobicContact CE2-CZ3 4.09Å; F337-W340 PolarHBondContact O-N 3.14Å; E338-W340 PolarHBondContact O-N 3.44Å; W340-E342 PolarHBondContact O-N 3.26Å; W340-T343 PolarHBondContact O-N 3.21Å; W340-T343 VanDerWaalsContact O-N 3.16Å; W340-T343 PolarHBondContact O-OG1 2.93Å; W340-H344 AromaticContact CD1-CE1 3.98Å; W340-H344 AromaticContact CD1-ND1 3.7Å; W340-H344 HydrophobicContact CD2-CB 3.86Å; W340-H344 AromaticContact CE2-CD2 3.87Å; W340-H344 AromaticContact CE2-CG 3.45Å; W340-H344 VanDerWaalsContact CE2-CG 3.45Å; W340-H344 AromaticContact CE2-ND1 3.74Å; W340-H344 HydrophobicContact CE3-CB 3.94Å; W340-H344 HydrophobicContact CH2-CB 3.51Å; W340-H344 HydrophobicContact CZ2-CB 3.42Å; W340-H344 VanDerWaalsContact CZ2-CB 3.42Å; W340-H344 AromaticContact CZ2-CD2 3.76Å; W340-H344 AromaticContact CZ2-CG 3.56Å; W340-H344 HydrophobicContact CZ3-CB 3.75Å; W340-H344 AromaticContact NE1-CD2 3.81Å; W340-H344 AromaticContact NE1-CE1 3.64Å; W340-H344 AromaticContact NE1-CG 3.57Å; W340-H344 AromaticContact NE1-ND1 3.44Å; W340-H344 PolarHBondContact NE1-ND1 3.46Å; W340-H344 AromaticContact NE1-NE2 3.84Å; W340-H344 PolarHBondContact O-N 3.3Å; W340-H344 VanDerWaalsContact O-N 3.11Å; W340-H344 PolarHBondContact O-ND1 3.41Å; W340-P345 WeakPolarHBondContact CH2-O 3.24Å; W340-P345 VanDerWaalsContact CZ3-O 3.25Å; W340-P345 WeakPolarHBondContact CZ3-O 3.3Å
341	L	97.4	Very high	97.6	Very high	12 Å²	12	50.5 Å²	50.5	6%	0.063	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-12.8	176.7	-77.9	-179	0	0	0	115.1	F337 E338 K339 T343 H344 M346 V364	F337-L341 HydrophobicContact CD1-CD1 3.95Å; F337-L341 HydrophobicContact CD1-CG 4.35Å; F337-L341 HydrophobicContact CE1-CD1 3.44Å; F337-L341 VanDerWaalsContact CE1-CD1 3.44Å; F337-L341 HydrophobicContact CE1-CD2 4.39Å; F337-L341 HydrophobicContact CE1-CG 3.91Å; F337-L341 HydrophobicContact CE2-CD2 4.42Å; F337-L341 HydrophobicContact CE2-CG 4.29Å; F337-L341 HydrophobicContact CZ-CD1 3.87Å; F337-L341 HydrophobicContact CZ-CD2 3.95Å; F337-L341 HydrophobicContact CZ-CG 3.87Å; F337-L341 WeakPolarHBondContact O-CG 3.45Å; F337-L341 PolarHBondContact O-N 3.44Å; E338-L341 PolarHBondContact O-N 2.85Å; K339-L341 VanDerWaalsContact C-N 3.33Å; K339-L341 PolarHBondContact O-N 3.3Å; L341-T343 PolarHBondContact O-N 3.03Å; L341-H344 CarbonylContact C-O 3.57Å; L341-H344 WeakPolarHBondContact CA-O 3.48Å; L341-M346 HydrophobicContact CD1-SD 4.47Å; L341-M346 HydrophobicContact CD2-SD 4.05Å; L341-V364 HydrophobicContact CD1-CG1 3.88Å
342	E	97	Very high	97.7	Very high	151 Å²	151	45.5 Å²	45.5	71%	0.706	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-26.6	172.6	-63.6	178.5	172.5	0	0	112.2	E338 K339 W340	E338-E342 PolarHBondContact O-N 3.4Å; K339-E342 WeakPolarHBondContact O-CB 3.28Å; K339-E342 PolarHBondContact O-N 2.99Å; W340-E342 PolarHBondContact O-N 3.26Å
343	T	96.5	Very high	97.8	Very high	109 Å²	109	44.9 Å²	44.9	67%	0.669	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.3	-10	-173.2	50.6	0	0	0	0	113.5	W340 L341	W340-T343 PolarHBondContact O-N 3.21Å; W340-T343 VanDerWaalsContact O-N 3.16Å; W340-T343 PolarHBondContact O-OG1 2.93Å; L341-T343 PolarHBondContact O-N 3.03Å
344	H	96.5	Very high	97.6	Very high	60 Å²	60	45.8 Å²	45.8	28%	0.278	23%	0.231	S	C	.	.	S	Bend	trans	-130.9	146.4	-178.9	-59.1	77.4	0	0	0	110.5	H321 W340 L341	H321-H344 AromaticContact CE1-CD2 3.87Å; W340-H344 AromaticContact CD1-CE1 3.98Å; W340-H344 AromaticContact CD1-ND1 3.7Å; W340-H344 HydrophobicContact CD2-CB 3.86Å; W340-H344 AromaticContact CE2-CD2 3.87Å; W340-H344 AromaticContact CE2-CG 3.45Å; W340-H344 VanDerWaalsContact CE2-CG 3.45Å; W340-H344 AromaticContact CE2-ND1 3.74Å; W340-H344 HydrophobicContact CE3-CB 3.94Å; W340-H344 HydrophobicContact CH2-CB 3.51Å; W340-H344 HydrophobicContact CZ2-CB 3.42Å; W340-H344 VanDerWaalsContact CZ2-CB 3.42Å; W340-H344 AromaticContact CZ2-CD2 3.76Å; W340-H344 AromaticContact CZ2-CG 3.56Å; W340-H344 HydrophobicContact CZ3-CB 3.75Å; W340-H344 AromaticContact NE1-CD2 3.81Å; W340-H344 AromaticContact NE1-CE1 3.64Å; W340-H344 AromaticContact NE1-CG 3.57Å; W340-H344 AromaticContact NE1-ND1 3.44Å; W340-H344 PolarHBondContact NE1-ND1 3.46Å; W340-H344 AromaticContact NE1-NE2 3.84Å; W340-H344 PolarHBondContact O-N 3.3Å; W340-H344 VanDerWaalsContact O-N 3.11Å; W340-H344 PolarHBondContact O-ND1 3.41Å; L341-H344 CarbonylContact C-O 3.57Å; L341-H344 WeakPolarHBondContact CA-O 3.48Å
345	P	95	Very high	97.5	Very high	95 Å²	95	47.5 Å²	47.5	62%	0.617	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-68.7	165.9	169.9	31.8	-35.3	0	0	0	111.1	W340	W340-P345 WeakPolarHBondContact CH2-O 3.24Å; W340-P345 VanDerWaalsContact CZ3-O 3.25Å; W340-P345 WeakPolarHBondContact CZ3-O 3.3Å
346	M	96.3	Very high	97.4	Very high	31 Å²	31	43.1 Å²	43.1	15%	0.153	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-58.1	132	171.6	-166.7	68.7	-162.3	0	0	109.9	F337 L341 V361 T365 P373 L376	F337-M346 HydrophobicContact CE1-CE 4.08Å; F337-M346 HydrophobicContact CE1-SD 4.07Å; F337-M346 HydrophobicContact CZ-CE 3.65Å; F337-M346 HydrophobicContact CZ-SD 3.63Å; L341-M346 HydrophobicContact CD1-SD 4.47Å; L341-M346 HydrophobicContact CD2-SD 4.05Å; M346-V361 HydrophobicContact CE-CG1 4.26Å; M346-T365 HydrophobicContact CE-CG2 4.07Å; M346-T365 WeakPolarHBondContact CE-OG1 3.5Å; M346-T365 HydrophobicContact SD-CG2 4.19Å; M346-P373 HydrophobicContact CG-CG 3.97Å; M346-L376 HydrophobicContact CE-CD2 3.97Å
347	P	97.3	Very high	97.4	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.019	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-69.6	154.9	178.4	31.4	-36.7	0	0	0	110.6	L291 L376	L291-P347 HydrophobicContact CB-CB 3.84Å; L291-P347 HydrophobicContact CB-CG 3.85Å; L291-P347 HydrophobicContact CD2-CG 4.25Å; P347-L376 WeakPolarHBondContact O-CD1 3.11Å
348	Q	98.1	Very high	97.4	Very high	55 Å²	55	40.9 Å²	40.9	26%	0.257	21%	0.21	S	C	.	.	S	Bend	trans	-90	-25	173.3	-72	163.1	-41.8	0	0	112.2	A287 T289 L376 A377	A287-Q348 HydrophobicContact CB-CB 3.67Å; T289-Q348 PolarHBondContact O-N 3.11Å; T289-Q348 VanDerWaalsContact O-N 3.16Å; T289-Q348 PolarHBondContact OG1-N 3.06Å; Q348-L376 CarbonylContact O-C 3.55Å; Q348-L376 WeakPolarHBondContact O-CA 3.36Å; Q348-A377 PolarHBondContact O-N 3.47Å
349	A	98.4	Very high	97.4	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.6	169.6	0	0	0	0	0	110.5	L282 A287 T289 V290 L291 A377	L282-A349 HydrophobicContact CD1-CB 4.17Å; L282-A349 HydrophobicContact CD2-CB 4.26Å; L282-A349 HydrophobicContact CG-CB 4.28Å; A287-A349 HydrophobicContact CB-CB 3.7Å; T289-A349 PolarHBondContact O-N 2.88Å; T289-A349 VanDerWaalsContact O-N 3.09Å; V290-A349 CarbonylContact C-O 3.32Å; V290-A349 VanDerWaalsContact CA-O 3.32Å; V290-A349 WeakPolarHBondContact CA-O 3.42Å; V290-A349 HydrophobicContact CB-CB 4.41Å; V290-A349 HydrophobicContact CG1-CB 4.06Å; V290-A349 HydrophobicContact CG2-CB 4.15Å; L291-A349 PolarHBondContact N-O 3.35Å; A349-A377 CarbonylContact C-O 3.54Å; A349-A377 WeakPolarHBondContact CA-O 3.38Å
350	L	98.7	Very high	97.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125	179.6	175.2	71.1	0	0	0	109.6	L291 T352 L358 V361 L376 A377 I378 A379	L291-L350 HydrophobicContact CB-CD1 4.17Å; L291-L350 HydrophobicContact CD2-CD1 3.95Å; L291-L350 HydrophobicContact CG-CD1 4.15Å; L350-T352 HydrophobicContact CD1-CG2 4.01Å; L350-T352 HydrophobicContact CD2-CG2 3.9Å; L350-T352 HydrophobicContact CG-CG2 3.82Å; L350-L358 HydrophobicContact CD2-CD1 3.91Å; L350-V361 HydrophobicContact CD1-CG2 4.49Å; L350-V361 HydrophobicContact CD2-CB 4.26Å; L350-V361 HydrophobicContact CD2-CG1 3.7Å; L350-V361 HydrophobicContact CD2-CG2 4.32Å; L350-L376 HydrophobicContact CB-CD1 4.01Å; L350-A377 PolarHBondContact N-O 2.73Å; L350-I378 HydrophobicContact CD2-CG1 4.48Å; L350-I378 CarbonylContact O-C 3.56Å; L350-A379 PolarHBondContact O-N 3Å
351	F	98.8	Very high	97.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.3	171.1	-168.7	-77.2	0	0	0	109.4	A275 L278 A279 L282 L291 Y292 L293 F309 T353 A379 F381	A275-F351 HydrophobicContact CB-CZ 4.17Å; L278-F351 HydrophobicContact CB-CE2 4Å; L278-F351 HydrophobicContact CB-CZ 4.43Å; L278-F351 HydrophobicContact CD2-CD2 4.4Å; L278-F351 HydrophobicContact CD2-CE2 3.67Å; L278-F351 HydrophobicContact CD2-CZ 3.84Å; L278-F351 HydrophobicContact CG-CD2 4.33Å; L278-F351 HydrophobicContact CG-CE2 3.61Å; L278-F351 HydrophobicContact CG-CZ 4.21Å; A279-F351 HydrophobicContact CB-CD2 4.36Å; A279-F351 HydrophobicContact CB-CE2 3.85Å; L282-F351 HydrophobicContact CD2-CB 4.02Å; L282-F351 HydrophobicContact CD2-CD2 4.08Å; L291-F351 PolarHBondContact O-N 2.6Å; Y292-F351 WeakPolarHBondContact CA-O 3.2Å; Y292-F351 HydrophobicContact CD2-CB 4.38Å; Y292-F351 AromaticContact CD2-CD1 3.58Å; Y292-F351 HydrophobicContact CD2-CD1 3.58Å; Y292-F351 HydrophobicContact CD2-CE1 4.15Å; Y292-F351 HydrophobicContact CD2-CG 4.2Å; Y292-F351 AromaticContact CE2-CD1 3.64Å; Y292-F351 HydrophobicContact CE2-CD1 3.64Å; Y292-F351 AromaticContact CE2-CE1 3.75Å; Y292-F351 HydrophobicContact CE2-CE1 3.75Å; L293-F351 PolarHBondContact N-O 3.32Å; F309-F351 HydrophobicContact CD2-CB 4.16Å; F309-F351 HydrophobicContact CD2-CD1 4.13Å; F309-F351 AromaticContact CD2-CD2 3.64Å; F309-F351 HydrophobicContact CD2-CD2 3.64Å; F309-F351 HydrophobicContact CD2-CE1 4.41Å; F309-F351 AromaticContact CD2-CE2 3.93Å; F309-F351 HydrophobicContact CD2-CE2 3.93Å; F309-F351 AromaticContact CD2-CG 3.72Å; F309-F351 HydrophobicContact CD2-CG 3.72Å; F309-F351 HydrophobicContact CD2-CZ 4.3Å; F309-F351 HydrophobicContact CE2-CB 3.9Å; F309-F351 AromaticContact CE2-CD2 3.97Å; F309-F351 HydrophobicContact CE2-CD2 3.97Å; F309-F351 AromaticContact CE2-CG 3.97Å; F309-F351 HydrophobicContact CE2-CG 3.97Å; F351-T353 HydrophobicContact CE1-CG2 4.38Å; F351-A379 CarbonylContact C-O 3.6Å; F351-A379 WeakPolarHBondContact CA-O 3.21Å; F351-A379 HydrophobicContact CD2-CB 3.69Å; F351-A379 HydrophobicContact CE2-CB 4.29Å; F351-A379 HydrophobicContact CG-CB 4.34Å; F351-F381 HydrophobicContact CE1-CD2 4.27Å; F351-F381 HydrophobicContact CE1-CE2 4.06Å; F351-F381 HydrophobicContact CZ-CD2 4.31Å; F351-F381 AromaticContact CZ-CE2 3.82Å; F351-F381 HydrophobicContact CZ-CE2 3.82Å
352	T	98.7	Very high	97.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.5	178.3	55.9	0	0	0	0	111.1	L293 L350 S354 L358 A379 T380 F381	L293-T352 HydrophobicContact CB-CG2 4.26Å; L293-T352 HydrophobicContact CD2-CG2 4.29Å; L293-T352 WeakPolarHBondContact O-CA 3.41Å; L350-T352 HydrophobicContact CD1-CG2 4.01Å; L350-T352 HydrophobicContact CD2-CG2 3.9Å; L350-T352 HydrophobicContact CG-CG2 3.82Å; T352-S354 VanDerWaalsContact C-N 3.27Å; T352-S354 PolarHBondContact O-N 3.47Å; T352-L358 HydrophobicContact CG2-CB 4.12Å; T352-A379 PolarHBondContact N-O 3.45Å; T352-A379 PolarHBondContact OG1-O 3.24Å; T352-T380 WeakPolarHBondContact O-CA 3.43Å; T352-T380 WeakPolarHBondContact OG1-CA 3.16Å; T352-T380 WeakPolarHBondContact OG1-CB 3.28Å; T352-T380 PolarHBondContact OG1-OG1 3.44Å; T352-F381 PolarHBondContact O-N 2.88Å
353	T	97.6	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-83.4	0.1	-179.3	69.9	0	0	0	0	113.8	Y292 L293 G294 R305 F351 F381	Y292-T353 HydrophobicContact CE1-CG2 3.97Å; Y292-T353 HydrophobicContact CE2-CG2 3.88Å; Y292-T353 WeakPolarHBondContact OH-CG2 3.38Å; L293-T353 PolarHBondContact O-N 3.15Å; G294-T353 WeakPolarHBondContact CA-OG1 3.29Å; R305-T353 HydrophobicContact CB-CG2 4.35Å; R305-T353 PolarHBondContact NH1-O 2.97Å; F351-T353 HydrophobicContact CE1-CG2 4.38Å; T353-F381 VanDerWaalsContact O-CB 3.25Å; T353-F381 WeakPolarHBondContact O-CB 3.46Å
354	S	95.9	Very high	97.6	Very high	18 Å²	18	22 Å²	22	13%	0.126	12%	0.119	C	C	.	.	S	Bend	trans	-154.1	159.8	166.8	97.3	0	0	0	0	111.5	T352 A356 L357 L358 F381	T352-S354 VanDerWaalsContact C-N 3.27Å; T352-S354 PolarHBondContact O-N 3.47Å; S354-A356 VanDerWaalsContact C-N 3.32Å; S354-A356 PolarHBondContact O-N 2.98Å; S354-A356 PolarHBondContact OG-N 3.37Å; S354-L357 PolarHBondContact O-N 2.88Å; S354-L357 WeakPolarHBondContact OG-CG 3.47Å; S354-L357 PolarHBondContact OG-N 2.8Å; S354-L358 PolarHBondContact O-N 3.36Å; S354-F381 CarbonylContact C-O 3.53Å; S354-F381 VanDerWaalsContact CA-O 3.24Å; S354-F381 WeakPolarHBondContact CA-O 3.44Å
355	F	96.3	Very high	97.6	Very high	38 Å²	38	19.2 Å²	19.2	17%	0.167	11%	0.106	C	C	.	.	H	α-helix	trans	-67.1	-34.9	178.9	-171.7	-111.3	0	0	0	111.9	L357 L358 Q359 F381 N384 L387	F355-L357 VanDerWaalsContact C-N 3.31Å; F355-L357 PolarHBondContact O-N 3.19Å; F355-L358 HydrophobicContact CD2-CD2 4.33Å; F355-L358 HydrophobicContact CE2-CD2 4.29Å; F355-L358 WeakPolarHBondContact O-CB 3.16Å; F355-L358 PolarHBondContact O-N 3.09Å; F355-Q359 HydrophobicContact CD1-CG 4.13Å; F355-Q359 HydrophobicContact CE1-CG 3.87Å; F355-Q359 HydrophobicContact CZ-CG 4.25Å; F355-Q359 WeakPolarHBondContact O-CG 3.18Å; F355-Q359 PolarHBondContact O-N 3.1Å; F355-F381 PolarHBondContact N-O 3.29Å; F355-N384 HydrophobicContact CE1-CB 3.89Å; F355-N384 HydrophobicContact CE2-CB 3.89Å; F355-N384 HydrophobicContact CZ-CB 3.37Å; F355-L387 HydrophobicContact CE2-CD1 3.88Å; F355-L387 HydrophobicContact CE2-CD2 3.94Å; F355-L387 HydrophobicContact CE2-CG 3.99Å
356	A	95.6	Very high	97.8	Very high	22 Å²	22	18.3 Å²	18.3	18%	0.182	10%	0.096	C	C	.	.	H	α-helix	trans	-63.2	-38.3	175.8	0	0	0	0	0	111.7	Y328 R330 S354 L358 Q359 G360	Y328-A356 WeakPolarHBondContact O-CB 3.21Å; R330-A356 WeakPolarHBondContact CA-O 3.25Å; S354-A356 VanDerWaalsContact C-N 3.32Å; S354-A356 PolarHBondContact O-N 2.98Å; S354-A356 PolarHBondContact OG-N 3.37Å; A356-L358 VanDerWaalsContact C-N 3.34Å; A356-L358 PolarHBondContact O-N 3.44Å; A356-Q359 WeakPolarHBondContact O-CB 3.14Å; A356-Q359 PolarHBondContact O-N 3.48Å; A356-G360 PolarHBondContact O-N 3.04Å
357	L	97.9	Very high	97.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-41.8	174.5	-57.1	-177.4	0	0	0	111.2	L293 A295 A325 Y328 A333 S354 F355 G360 V361	L293-L357 HydrophobicContact CD2-CB 4.1Å; L293-L357 HydrophobicContact CG-CB 4.27Å; L293-L357 HydrophobicContact CG-CD1 4.32Å; L293-L357 WeakPolarHBondContact O-CD1 3.25Å; A295-L357 HydrophobicContact CB-CD1 4.12Å; A295-L357 HydrophobicContact CB-CD2 4.19Å; A325-L357 HydrophobicContact CB-CD2 4.18Å; Y328-L357 HydrophobicContact CD1-CD1 4.33Å; Y328-L357 HydrophobicContact CD1-CG 4.45Å; Y328-L357 HydrophobicContact CE1-CD1 4.35Å; A333-L357 HydrophobicContact CB-CB 4.23Å; A333-L357 HydrophobicContact CB-CD2 3.63Å; S354-L357 PolarHBondContact O-N 2.88Å; S354-L357 WeakPolarHBondContact OG-CG 3.47Å; S354-L357 PolarHBondContact OG-N 2.8Å; F355-L357 VanDerWaalsContact C-N 3.31Å; F355-L357 PolarHBondContact O-N 3.19Å; L357-G360 PolarHBondContact O-N 3.26Å; L357-V361 WeakPolarHBondContact O-CG2 3.47Å; L357-V361 PolarHBondContact O-N 2.95Å; L357-V361 VanDerWaalsContact O-N 3.11Å
358	L	98.3	Very high	97.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.7	-44	173.2	176	60.7	0	0	0	111.9	L350 T352 S354 F355 A356 G360 V361 M362 I378 T380 L387	L350-L358 HydrophobicContact CD2-CD1 3.91Å; T352-L358 HydrophobicContact CG2-CB 4.12Å; S354-L358 PolarHBondContact O-N 3.36Å; F355-L358 HydrophobicContact CD2-CD2 4.33Å; F355-L358 HydrophobicContact CE2-CD2 4.29Å; F355-L358 WeakPolarHBondContact O-CB 3.16Å; F355-L358 PolarHBondContact O-N 3.09Å; A356-L358 VanDerWaalsContact C-N 3.34Å; A356-L358 PolarHBondContact O-N 3.44Å; L358-G360 VanDerWaalsContact C-N 3.27Å; L358-G360 PolarHBondContact O-N 3.01Å; L358-V361 PolarHBondContact O-N 2.84Å; L358-M362 HydrophobicContact CD1-CG 4.13Å; L358-M362 HydrophobicContact CD1-SD 4.3Å; L358-M362 HydrophobicContact CD2-SD 4.47Å; L358-M362 HydrophobicContact CG-CG 4.32Å; L358-M362 HydrophobicContact CG-SD 3.99Å; L358-M362 VanDerWaalsContact O-CG 3.3Å; L358-M362 WeakPolarHBondContact O-CG 3.33Å; L358-M362 PolarHBondContact O-N 3.09Å; L358-I378 HydrophobicContact CD1-CD1 4.21Å; L358-I378 HydrophobicContact CD1-CG2 3.7Å; L358-I378 HydrophobicContact CD2-CG2 3.95Å; L358-I378 HydrophobicContact CG-CG2 4.49Å; L358-T380 HydrophobicContact CD2-CG2 3.72Å; L358-L387 HydrophobicContact CD2-CD2 4.03Å
359	Q	98	Very high	97.6	Very high	63 Å²	63	31.7 Å²	31.7	29%	0.294	15%	0.148	S	C	.	.	H	α-helix	trans	-59.2	-39.3	177.1	-68.7	175.8	-68.2	0	0	111.8	R330 F355 A356 M362 D363	R330-Q359 HydrophobicContact CB-CB 4.49Å; R330-Q359 HydrophobicContact CG-CB 3.8Å; F355-Q359 HydrophobicContact CD1-CG 4.13Å; F355-Q359 HydrophobicContact CE1-CG 3.87Å; F355-Q359 HydrophobicContact CZ-CG 4.25Å; F355-Q359 WeakPolarHBondContact O-CG 3.18Å; F355-Q359 PolarHBondContact O-N 3.1Å; A356-Q359 WeakPolarHBondContact O-CB 3.14Å; A356-Q359 PolarHBondContact O-N 3.48Å; Q359-M362 PolarHBondContact O-N 3.47Å; Q359-D363 PolarHBondContact O-N 3.3Å
360	G	98.3	Very high	97.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-44	175.7	0	0	0	0	0	112.7	R330 A356 L357 L358 M362 D363 V364	R330-G360 VanDerWaalsContact O-CA 3.25Å; R330-G360 WeakPolarHBondContact O-CA 3.24Å; A356-G360 PolarHBondContact O-N 3.04Å; L357-G360 PolarHBondContact O-N 3.26Å; L358-G360 VanDerWaalsContact C-N 3.27Å; L358-G360 PolarHBondContact O-N 3.01Å; G360-M362 VanDerWaalsContact C-N 3.32Å; G360-M362 PolarHBondContact O-N 3.46Å; G360-D363 PolarHBondContact O-N 2.83Å; G360-V364 WeakPolarHBondContact O-CG2 3.25Å; G360-V364 PolarHBondContact O-N 3.41Å
361	V	98.5	Very high	97.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-44.1	173.3	172.4	0	0	0	0	111.3	L293 F337 M346 L350 L357 L358 V364 T365	L293-V361 HydrophobicContact CD2-CG2 3.4Å; F337-V361 HydrophobicContact CB-CG2 4.33Å; F337-V361 HydrophobicContact CD1-CB 4.18Å; F337-V361 HydrophobicContact CD1-CG1 3.97Å; F337-V361 HydrophobicContact CD1-CG2 4.1Å; F337-V361 HydrophobicContact CD2-CG2 4.14Å; F337-V361 HydrophobicContact CE1-CB 4.33Å; F337-V361 HydrophobicContact CE1-CG1 3.62Å; F337-V361 HydrophobicContact CE1-CG2 4.48Å; F337-V361 HydrophobicContact CE2-CG1 4.43Å; F337-V361 HydrophobicContact CG-CB 4.5Å; F337-V361 HydrophobicContact CG-CG2 3.91Å; F337-V361 HydrophobicContact CZ-CG1 3.88Å; M346-V361 HydrophobicContact CE-CG1 4.26Å; L350-V361 HydrophobicContact CD1-CG2 4.49Å; L350-V361 HydrophobicContact CD2-CB 4.26Å; L350-V361 HydrophobicContact CD2-CG1 3.7Å; L350-V361 HydrophobicContact CD2-CG2 4.32Å; L357-V361 WeakPolarHBondContact O-CG2 3.47Å; L357-V361 PolarHBondContact O-N 2.95Å; L357-V361 VanDerWaalsContact O-N 3.11Å; L358-V361 PolarHBondContact O-N 2.84Å; V361-V364 PolarHBondContact O-N 2.78Å; V361-T365 WeakPolarHBondContact O-CB 3.09Å; V361-T365 PolarHBondContact O-N 3.3Å; V361-T365 PolarHBondContact O-OG1 2.81Å
362	M	98.2	Very high	97.2	Very high	32 Å²	32	42.7 Å²	42.7	16%	0.158	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-41.4	178.8	-70.4	177.1	64	0	0	111.8	L358 Q359 G360 V364 T365 L366 L372 L390	L358-M362 HydrophobicContact CD1-CG 4.13Å; L358-M362 HydrophobicContact CD1-SD 4.3Å; L358-M362 HydrophobicContact CD2-SD 4.47Å; L358-M362 HydrophobicContact CG-CG 4.32Å; L358-M362 HydrophobicContact CG-SD 3.99Å; L358-M362 VanDerWaalsContact O-CG 3.3Å; L358-M362 WeakPolarHBondContact O-CG 3.33Å; L358-M362 PolarHBondContact O-N 3.09Å; Q359-M362 PolarHBondContact O-N 3.47Å; G360-M362 VanDerWaalsContact C-N 3.32Å; G360-M362 PolarHBondContact O-N 3.46Å; M362-V364 PolarHBondContact O-N 3.49Å; M362-T365 PolarHBondContact O-N 2.95Å; M362-L366 HydrophobicContact CB-CD1 4.43Å; M362-L366 WeakPolarHBondContact O-CB 3.17Å; M362-L366 WeakPolarHBondContact O-CG 3.25Å; M362-L366 PolarHBondContact O-N 3.16Å; M362-L372 HydrophobicContact CE-CD1 4.39Å; M362-L372 HydrophobicContact CG-CD1 4.19Å; M362-L372 HydrophobicContact CG-CD2 4.39Å; M362-L390 HydrophobicContact CE-CD1 4.23Å; M362-L390 HydrophobicContact CE-CD2 3.78Å; M362-L390 HydrophobicContact SD-CD1 4.45Å
363	D	98.2	Very high	97.1	Very high	39 Å²	39	44.3 Å²	44.3	21%	0.209	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-46.1	178.3	-75.8	-4.4	0	0	0	112.4	R330 Q359 G360 R367	R330-D363 IonicContact CZ-OD1 3.54Å; R330-D363 IonicContact CZ-OD2 2.82Å; R330-D363 IonicContact NE-OD1 3.31Å; R330-D363 PolarHBondContact NE-OD1 2.91Å; R330-D363 IonicContact NE-OD2 2.77Å; R330-D363 PolarHBondContact NE-OD2 3.2Å; R330-D363 IonicContact NH2-OD1 2.85Å; R330-D363 PolarHBondContact NH2-OD1 3.45Å; R330-D363 IonicContact NH2-OD2 3.72Å; R330-D363 PolarHBondContact NH2-OD2 3.25Å; Q359-D363 PolarHBondContact O-N 3.3Å; G360-D363 PolarHBondContact O-N 2.83Å; D363-R367 VanDerWaalsContact O-CB 3.24Å; D363-R367 WeakPolarHBondContact O-CB 3.44Å; D363-R367 WeakPolarHBondContact O-CG 3.48Å; D363-R367 PolarHBondContact O-N 2.75Å; D363-R367 PolarHBondContact O-NE 3.49Å; D363-R367 VanDerWaalsContact O-NE 3.11Å
364	V	98.4	Very high	96.9	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.024	25%	0.253	C	S	.	.	H	α-helix	trans	-65.5	-49.7	178.6	177.5	0	0	0	0	110.3	A334 F337 E338 L341 G360 V361 M362 L366 R367 R368	A334-V364 HydrophobicContact CB-CG2 3.8Å; A334-V364 WeakPolarHBondContact O-CG2 3.37Å; F337-V364 HydrophobicContact CD1-CB 3.96Å; F337-V364 HydrophobicContact CD1-CG1 4.04Å; F337-V364 HydrophobicContact CD1-CG2 4.36Å; F337-V364 HydrophobicContact CE1-CG1 4.49Å; E338-V364 HydrophobicContact CB-CG1 3.82Å; E338-V364 HydrophobicContact CB-CG2 3.96Å; E338-V364 HydrophobicContact CG-CG1 4.18Å; L341-V364 HydrophobicContact CD1-CG1 3.88Å; G360-V364 WeakPolarHBondContact O-CG2 3.25Å; G360-V364 PolarHBondContact O-N 3.41Å; V361-V364 PolarHBondContact O-N 2.78Å; M362-V364 PolarHBondContact O-N 3.49Å; V364-L366 PolarHBondContact O-N 2.78Å; V364-R367 PolarHBondContact O-N 3.04Å; V364-R368 VanDerWaalsContact O-CB 3.29Å; V364-R368 WeakPolarHBondContact O-CB 3.46Å; V364-R368 PolarHBondContact O-N 2.88Å
365	T	98	Very high	96.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-43.8	-175.5	-48.3	0	0	0	0	111.4	M346 V361 M362 R368 D369 L372	M346-T365 HydrophobicContact CE-CG2 4.07Å; M346-T365 WeakPolarHBondContact CE-OG1 3.5Å; M346-T365 HydrophobicContact SD-CG2 4.19Å; V361-T365 WeakPolarHBondContact O-CB 3.09Å; V361-T365 PolarHBondContact O-N 3.3Å; V361-T365 PolarHBondContact O-OG1 2.81Å; M362-T365 PolarHBondContact O-N 2.95Å; T365-R368 PolarHBondContact O-N 2.99Å; T365-D369 PolarHBondContact O-N 2.96Å; T365-L372 HydrophobicContact CG2-CD2 3.62Å
366	L	97.2	Very high	97	Very high	76 Å²	76	50.5 Å²	50.5	40%	0.398	26%	0.264	S	S	.	.	H	α-helix	trans	-68.8	-37.1	178.2	-68.2	171.5	0	0	0	112.3	M362 V364 G370 L372	M362-L366 HydrophobicContact CB-CD1 4.43Å; M362-L366 WeakPolarHBondContact O-CB 3.17Å; M362-L366 WeakPolarHBondContact O-CG 3.25Å; M362-L366 PolarHBondContact O-N 3.16Å; V364-L366 PolarHBondContact O-N 2.78Å; L366-G370 WeakPolarHBondContact O-CA 3.19Å; L366-G370 PolarHBondContact O-N 3.03Å; L366-L372 HydrophobicContact CD2-CG 4.47Å
367	R	97.5	Very high	97.1	Very high	155 Å²	155	49.6 Å²	49.6	59%	0.585	26%	0.256	S	S	*	.	H	α-helix	trans	-65.7	-40.3	174.5	-77	-177.6	-61.7	157.1	7.5	112.1	E338 D363 V364	E338-R367 IonicContact OE2-NH2 3.33Å; E338-R367 PolarHBondContact OE2-NH2 3.04Å; D363-R367 VanDerWaalsContact O-CB 3.24Å; D363-R367 WeakPolarHBondContact O-CB 3.44Å; D363-R367 WeakPolarHBondContact O-CG 3.48Å; D363-R367 PolarHBondContact O-N 2.75Å; D363-R367 PolarHBondContact O-NE 3.49Å; D363-R367 VanDerWaalsContact O-NE 3.11Å; V364-R367 PolarHBondContact O-N 3.04Å
368	R	95.7	Very high	97.2	Very high	139 Å²	139	49.6 Å²	49.6	53%	0.525	26%	0.257	S	S	.	.	H	α-helix	trans	-77.4	-48.5	-176.5	-175.7	-174.7	141.1	158	-1	112.9	V364 T365	V364-R368 VanDerWaalsContact O-CB 3.29Å; V364-R368 WeakPolarHBondContact O-CB 3.46Å; V364-R368 PolarHBondContact O-N 2.88Å; T365-R368 PolarHBondContact O-N 2.99Å
369	D	94.7	Very high	97.2	Very high	77 Å²	77	49.6 Å²	49.6	41%	0.412	26%	0.257	S	S	.	.	H	α-helix	trans	-116.1	-4.4	-167.2	-56.9	-45.4	0	0	0	113.3	T365 K371	T365-D369 PolarHBondContact O-N 2.96Å; D369-K371 PolarHBondContact O-N 3.48Å
370	G	95.6	Very high	97.2	Very high	62 Å²	62	46.6 Å²	46.6	64%	0.639	24%	0.243	S	C	*	.	S	Bend	trans	74	-11.7	179	0	0	0	0	0	115.3	L366	L366-G370 WeakPolarHBondContact O-CA 3.19Å; L366-G370 PolarHBondContact O-N 3.03Å
371	K	95.5	Very high	97.2	Very high	152 Å²	152	47 Å²	47	66%	0.661	24%	0.244	S	C	*	.	S	Bend	trans	-155.3	157.8	178.2	62.2	-179	-179.6	177.9	0	110.5	D369	D369-K371 PolarHBondContact O-N 3.48Å
372	L	96.9	Very high	97	Very high	19 Å²	19	48 Å²	48	10%	0.099	26%	0.255	C	S	.	.			trans	-74.5	143.3	163.9	-59.6	-179.1	0	0	0	109.7	M362 T365 L366 S374 I378 L390	M362-L372 HydrophobicContact CE-CD1 4.39Å; M362-L372 HydrophobicContact CG-CD1 4.19Å; M362-L372 HydrophobicContact CG-CD2 4.39Å; T365-L372 HydrophobicContact CG2-CD2 3.62Å; L366-L372 HydrophobicContact CD2-CG 4.47Å; L372-S374 PolarHBondContact O-N 3.11Å; L372-I378 HydrophobicContact CD1-CD1 4.08Å; L372-L390 HydrophobicContact CD1-CD1 4.13Å; L372-L390 HydrophobicContact CD1-CD2 4.02Å
373	P	96.5	Very high	96.9	Very high	34 Å²	34	47.7 Å²	47.7	22%	0.221	25%	0.254	C	S	.	.			trans	-57.4	136.8	171.4	-19.5	30	0	0	0	110.9	M346 D375 L376 C392	M346-P373 HydrophobicContact CG-CG 3.97Å; P373-D375 VanDerWaalsContact C-N 3.25Å; P373-D375 WeakPolarHBondContact CB-OD1 3.43Å; P373-D375 PolarHBondContact O-N 3.4Å; P373-L376 HydrophobicContact CB-CB 4.09Å; P373-L376 HydrophobicContact CG-CB 4.41Å; P373-L376 WeakPolarHBondContact O-CB 3.24Å; P373-L376 PolarHBondContact O-N 3.07Å; P373-C392 VanDerWaalsContact O-CB 3.28Å; P373-C392 WeakPolarHBondContact O-CB 3.45Å
374	S	94.7	Very high	96.7	Very high	88 Å²	88	48.1 Å²	48.1	62%	0.615	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-24.5	-178.8	47.6	0	0	0	0	113.2	L372	L372-S374 PolarHBondContact O-N 3.11Å
375	D	95.2	Very high	96.5	Very high	97 Å²	97	55.1 Å²	55.1	52%	0.519	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-4.4	176.3	59.7	-34.9	0	0	0	113.5	P373 A377	P373-D375 VanDerWaalsContact C-N 3.25Å; P373-D375 WeakPolarHBondContact CB-OD1 3.43Å; P373-D375 PolarHBondContact O-N 3.4Å; D375-A377 PolarHBondContact O-N 3.49Å
376	L	98	Very high	96.4	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	32%	0.318	C	S	.	.			trans	-71.8	113.1	175	174	67	0	0	0	111.1	M346 P347 Q348 L350 P373 I378 C392 P393	M346-L376 HydrophobicContact CE-CD2 3.97Å; P347-L376 WeakPolarHBondContact O-CD1 3.11Å; Q348-L376 CarbonylContact O-C 3.55Å; Q348-L376 WeakPolarHBondContact O-CA 3.36Å; L350-L376 HydrophobicContact CB-CD1 4.01Å; P373-L376 HydrophobicContact CB-CB 4.09Å; P373-L376 HydrophobicContact CG-CB 4.41Å; P373-L376 WeakPolarHBondContact O-CB 3.24Å; P373-L376 PolarHBondContact O-N 3.07Å; L376-I378 HydrophobicContact CD2-CD1 3.92Å; L376-I378 HydrophobicContact CD2-CG1 3.92Å; L376-I378 HydrophobicContact CG-CD1 4.33Å; L376-I378 HydrophobicContact CG-CG1 3.84Å; L376-C392 WeakPolarHBondContact O-CB 3.19Å; L376-P393 WeakPolarHBondContact O-CD 3.3Å
377	A	98.5	Very high	96.3	Very high	2 Å²	2	57.3 Å²	57.3	2%	0.017	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	125	168.5	0	0	0	0	0	111.2	L282 F285 Q348 A349 L350 D375 P393	L282-A377 HydrophobicContact CD1-CB 3.8Å; F285-A377 HydrophobicContact CB-CB 3.65Å; F285-A377 HydrophobicContact CD1-CB 4.03Å; F285-A377 HydrophobicContact CD2-CB 4.25Å; F285-A377 HydrophobicContact CG-CB 3.7Å; Q348-A377 PolarHBondContact O-N 3.47Å; A349-A377 CarbonylContact C-O 3.54Å; A349-A377 WeakPolarHBondContact CA-O 3.38Å; L350-A377 PolarHBondContact N-O 2.73Å; D375-A377 PolarHBondContact O-N 3.49Å; A377-P393 HydrophobicContact CB-CG 4.17Å
378	I	98.7	Very high	96.3	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.4	-178.6	-60.4	173.3	0	0	0	109.3	L350 L358 L372 L376 P393 V394 L395	L350-I378 HydrophobicContact CD2-CG1 4.48Å; L350-I378 CarbonylContact O-C 3.56Å; L358-I378 HydrophobicContact CD1-CD1 4.21Å; L358-I378 HydrophobicContact CD1-CG2 3.7Å; L358-I378 HydrophobicContact CD2-CG2 3.95Å; L358-I378 HydrophobicContact CG-CG2 4.49Å; L372-I378 HydrophobicContact CD1-CD1 4.08Å; L376-I378 HydrophobicContact CD2-CD1 3.92Å; L376-I378 HydrophobicContact CD2-CG1 3.92Å; L376-I378 HydrophobicContact CG-CD1 4.33Å; L376-I378 HydrophobicContact CG-CG1 3.84Å; I378-P393 PolarHBondContact N-O 3.44Å; I378-V394 HydrophobicContact CB-CB 4.46Å; I378-V394 HydrophobicContact CB-CG1 4.37Å; I378-V394 HydrophobicContact CB-CG2 4.06Å; I378-V394 HydrophobicContact CD1-CG2 4.17Å; I378-V394 HydrophobicContact CG2-CG1 4.26Å; I378-V394 CarbonylContact O-C 3.57Å; I378-V394 WeakPolarHBondContact O-CA 3.47Å; I378-L395 PolarHBondContact O-N 3.5Å
379	A	98.8	Very high	96.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.3	164.8	0	0	0	0	0	109.1	L278 L282 L350 F351 T352 L395	L278-A379 HydrophobicContact CD1-CB 3.73Å; L278-A379 HydrophobicContact CD2-CB 4.06Å; L278-A379 HydrophobicContact CG-CB 3.79Å; L282-A379 HydrophobicContact CB-CB 4.04Å; L282-A379 HydrophobicContact CD1-CB 4Å; L282-A379 HydrophobicContact CD2-CB 3.85Å; L282-A379 HydrophobicContact CG-CB 4.17Å; L350-A379 PolarHBondContact O-N 3Å; F351-A379 CarbonylContact C-O 3.6Å; F351-A379 WeakPolarHBondContact CA-O 3.21Å; F351-A379 HydrophobicContact CD2-CB 3.69Å; F351-A379 HydrophobicContact CE2-CB 4.29Å; F351-A379 HydrophobicContact CG-CB 4.34Å; T352-A379 PolarHBondContact N-O 3.45Å; T352-A379 PolarHBondContact OG1-O 3.24Å; A379-L395 CarbonylContact C-O 3.59Å; A379-L395 VanDerWaalsContact CA-O 3.27Å; A379-L395 WeakPolarHBondContact CA-O 3.2Å
380	T	98.6	Very high	96.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	142.8	-176.8	-170.3	0	0	0	0	113.4	T352 L358 G382 L387 L395 A396 V397	T352-T380 WeakPolarHBondContact O-CA 3.43Å; T352-T380 WeakPolarHBondContact OG1-CA 3.16Å; T352-T380 WeakPolarHBondContact OG1-CB 3.28Å; T352-T380 PolarHBondContact OG1-OG1 3.44Å; L358-T380 HydrophobicContact CD2-CG2 3.72Å; T380-G382 WeakPolarHBondContact CG2-O 3.4Å; T380-L387 HydrophobicContact CG2-CD1 4.45Å; T380-L395 PolarHBondContact N-O 2.84Å; T380-A396 HydrophobicContact CG2-CB 4.03Å; T380-A396 CarbonylContact O-C 3.55Å; T380-A396 WeakPolarHBondContact O-CA 3.36Å; T380-V397 PolarHBondContact O-N 3.18Å
381	F	97.7	Very high	96.4	Very high	8 Å²	8	52.3 Å²	52.3	4%	0.035	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	118.9	163.7	-87.6	-104.5	0	0	0	110.5	D274 A275 L278 R305 F351 T352 T353 S354 F355 V397	D274-F381 HydrophobicContact CB-CE1 4.11Å; D274-F381 HydrophobicContact CB-CZ 4.06Å; A275-F381 HydrophobicContact CB-CE2 3.91Å; A275-F381 HydrophobicContact CB-CZ 3.78Å; L278-F381 HydrophobicContact CD2-CD2 4.01Å; L278-F381 HydrophobicContact CD2-CE2 4.05Å; R305-F381 HydrophobicContact CG-CE1 4.07Å; R305-F381 HydrophobicContact CG-CE2 4.1Å; R305-F381 HydrophobicContact CG-CZ 3.73Å; F351-F381 HydrophobicContact CE1-CD2 4.27Å; F351-F381 HydrophobicContact CE1-CE2 4.06Å; F351-F381 HydrophobicContact CZ-CD2 4.31Å; F351-F381 AromaticContact CZ-CE2 3.82Å; F351-F381 HydrophobicContact CZ-CE2 3.82Å; T352-F381 PolarHBondContact O-N 2.88Å; T353-F381 VanDerWaalsContact O-CB 3.25Å; T353-F381 WeakPolarHBondContact O-CB 3.46Å; S354-F381 CarbonylContact C-O 3.53Å; S354-F381 VanDerWaalsContact CA-O 3.24Å; S354-F381 WeakPolarHBondContact CA-O 3.44Å; F355-F381 PolarHBondContact N-O 3.29Å; F381-V397 HydrophobicContact CB-CG2 4.27Å; F381-V397 HydrophobicContact CD1-CG2 3.67Å; F381-V397 HydrophobicContact CD2-CG2 3.85Å; F381-V397 HydrophobicContact CE1-CG2 3.86Å; F381-V397 HydrophobicContact CE2-CG2 4.03Å; F381-V397 HydrophobicContact CG-CG2 3.66Å; F381-V397 HydrophobicContact CZ-CG2 4.03Å
382	G	95.1	Very high	96.4	Very high	23 Å²	23	45.1 Å²	45.1	24%	0.237	24%	0.239	C	C	.	.	S	Bend	trans	106.2	153.1	-173.5	0	0	0	0	0	111.4	T380 A396 V397	T380-G382 WeakPolarHBondContact CG2-O 3.4Å; G382-A396 WeakPolarHBondContact O-CB 3.45Å; G382-V397 WeakPolarHBondContact CA-O 3.46Å; G382-V397 PolarHBondContact N-O 3.36Å
383	D	94.8	Very high	96.5	Very high	24 Å²	24	45 Å²	45	13%	0.128	24%	0.239	C	C	.	.			trans	-139.5	146.5	-172.7	179.3	50.2	0	0	0	110.5	A396 A398 Y434 R436	D383-A396 HydrophobicContact CB-CB 4.08Å; D383-A398 HydrophobicContact CB-CB 3.54Å; D383-Y434 HydrophobicContact CB-CD2 4.4Å; D383-R436 IonicContact OD1-CZ 3.04Å; D383-R436 IonicContact OD1-NE 2.77Å; D383-R436 PolarHBondContact OD1-NE 3.49Å; D383-R436 IonicContact OD1-NH2 2.66Å; D383-R436 PolarHBondContact OD1-NH2 3.24Å; D383-R436 IonicContact OD2-CZ 2.65Å; D383-R436 IonicContact OD2-NE 2.6Å; D383-R436 IonicContact OD2-NH2 3.86Å; D383-R436 PolarHBondContact OD2-NH2 3.24Å
384	N	94.6	Very high	96.6	Very high	49 Å²	49	43.3 Å²	43.3	26%	0.262	23%	0.229	S	C	.	.			trans	-149.5	136.5	176.5	-167.9	-56.6	0	0	0	108.8	F355 L386 L387	F355-N384 HydrophobicContact CE1-CB 3.89Å; F355-N384 HydrophobicContact CE2-CB 3.89Å; F355-N384 HydrophobicContact CZ-CB 3.37Å; N384-L386 PolarHBondContact O-N 2.94Å; N384-L386 VanDerWaalsContact O-N 3.12Å; N384-L386 WeakPolarHBondContact OD1-CB 3.23Å; N384-L386 WeakPolarHBondContact OD1-CG 3.22Å; N384-L386 PolarHBondContact OD1-N 3.01Å; N384-L387 HydrophobicContact CB-CG 4.47Å; N384-L387 VanDerWaalsContact O-CB 3.23Å; N384-L387 WeakPolarHBondContact O-CB 3.28Å; N384-L387 WeakPolarHBondContact O-CG 3.35Å; N384-L387 PolarHBondContact O-N 3.38Å
385	E	93.6	Very high	96.8	Very high	151 Å²	151	39.2 Å²	39.2	71%	0.706	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-57.3	-28.2	178.5	-63.2	177.1	168.3	0	0	112.2	L387 D388	E385-L387 PolarHBondContact O-N 3.38Å; E385-L387 VanDerWaalsContact O-N 3.11Å; E385-D388 WeakPolarHBondContact O-CB 3.5Å; E385-D388 PolarHBondContact O-N 3.15Å; E385-D388 VanDerWaalsContact O-N 3.08Å
386	L	95.6	Very high	96.9	Very high	118 Å²	118	34.6 Å²	34.6	62%	0.618	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-63.3	-16.6	176.1	-64.3	179.3	0	0	0	113.6	N384 D388 F389	N384-L386 PolarHBondContact O-N 2.94Å; N384-L386 VanDerWaalsContact O-N 3.12Å; N384-L386 WeakPolarHBondContact OD1-CB 3.23Å; N384-L386 WeakPolarHBondContact OD1-CG 3.22Å; N384-L386 PolarHBondContact OD1-N 3.01Å; L386-D388 PolarHBondContact O-N 2.86Å; L386-F389 HydrophobicContact CD2-CD2 4.11Å; L386-F389 HydrophobicContact CD2-CE2 3.9Å; L386-F389 WeakPolarHBondContact O-CD2 3.41Å; L386-F389 PolarHBondContact O-N 3.42Å
387	L	97	Very high	96.9	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-65.2	-22.2	173.7	-67.3	175.2	0	0	0	112.7	F355 L358 T380 N384 E385 F389 L390 V394 A396 R436 G437	F355-L387 HydrophobicContact CE2-CD1 3.88Å; F355-L387 HydrophobicContact CE2-CD2 3.94Å; F355-L387 HydrophobicContact CE2-CG 3.99Å; L358-L387 HydrophobicContact CD2-CD2 4.03Å; T380-L387 HydrophobicContact CG2-CD1 4.45Å; N384-L387 HydrophobicContact CB-CG 4.47Å; N384-L387 VanDerWaalsContact O-CB 3.23Å; N384-L387 WeakPolarHBondContact O-CB 3.28Å; N384-L387 WeakPolarHBondContact O-CG 3.35Å; N384-L387 PolarHBondContact O-N 3.38Å; E385-L387 PolarHBondContact O-N 3.38Å; E385-L387 VanDerWaalsContact O-N 3.11Å; L387-F389 PolarHBondContact O-N 2.94Å; L387-L390 HydrophobicContact CD2-CD1 3.68Å; L387-L390 PolarHBondContact O-N 3.15Å; L387-V394 HydrophobicContact CB-CG1 4.46Å; L387-V394 HydrophobicContact CD1-CG1 4.07Å; L387-V394 HydrophobicContact CD2-CG1 4.35Å; L387-A396 HydrophobicContact CD1-CB 4.16Å; L387-R436 HydrophobicContact CB-CB 3.81Å; L387-R436 HydrophobicContact CB-CG 4.05Å; L387-R436 HydrophobicContact CD1-CG 4.43Å; L387-G437 VanDerWaalsContact O-CA 3.25Å; L387-G437 WeakPolarHBondContact O-CA 3.1Å; L387-G437 PolarHBondContact O-N 3.11Å
388	D	96.7	Very high	96.8	Very high	41 Å²	41	34.8 Å²	34.8	22%	0.219	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-65	-20.6	178	-71.8	-36.9	0	0	0	113.3	E385 L386 L390 R436 S440 R441	E385-D388 WeakPolarHBondContact O-CB 3.5Å; E385-D388 PolarHBondContact O-N 3.15Å; E385-D388 VanDerWaalsContact O-N 3.08Å; L386-D388 PolarHBondContact O-N 2.86Å; D388-L390 VanDerWaalsContact C-N 3.34Å; D388-R436 WeakPolarHBondContact OD1-CD 3.37Å; D388-R436 IonicContact OD1-NH1 3.66Å; D388-R436 IonicContact OD2-CZ 3.38Å; D388-R436 IonicContact OD2-NH1 3.55Å; D388-R436 PolarHBondContact OD2-NH1 3.31Å; D388-S440 VanDerWaalsContact OD1-CB 3.32Å; D388-S440 WeakPolarHBondContact OD1-CB 3.42Å; D388-S440 PolarHBondContact OD1-OG 3.03Å; D388-R441 PolarHBondContact O-NH2 3.37Å
389	F	95.4	Very high	96.6	Very high	145 Å²	145	35.5 Å²	35.5	64%	0.636	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-83.2	-10.4	179.7	-58.5	-73.6	0	0	0	113.6	L386 L387 Q391	L386-F389 HydrophobicContact CD2-CD2 4.11Å; L386-F389 HydrophobicContact CD2-CE2 3.9Å; L386-F389 WeakPolarHBondContact O-CD2 3.41Å; L386-F389 PolarHBondContact O-N 3.42Å; L387-F389 PolarHBondContact O-N 2.94Å; F389-Q391 PolarHBondContact O-NE2 3.33Å
390	L	96.3	Very high	96.5	Very high	25 Å²	25	40.6 Å²	40.6	13%	0.131	20%	0.199	C	C	.	.			trans	-68.7	143	-179.9	-59.7	-174.6	0	0	0	111.5	M362 L372 L387 D388 C392 V394 G437 V438 R441	M362-L390 HydrophobicContact CE-CD1 4.23Å; M362-L390 HydrophobicContact CE-CD2 3.78Å; M362-L390 HydrophobicContact SD-CD1 4.45Å; L372-L390 HydrophobicContact CD1-CD1 4.13Å; L372-L390 HydrophobicContact CD1-CD2 4.02Å; L387-L390 HydrophobicContact CD2-CD1 3.68Å; L387-L390 PolarHBondContact O-N 3.15Å; D388-L390 VanDerWaalsContact C-N 3.34Å; L390-C392 VanDerWaalsContact C-N 3.29Å; L390-V394 HydrophobicContact CB-CG2 4.24Å; L390-V394 HydrophobicContact CD1-CG2 3.75Å; L390-G437 CarbonylContact O-C 3.55Å; L390-G437 WeakPolarHBondContact O-CA 3.39Å; L390-V438 PolarHBondContact O-N 3.16Å; L390-R441 PolarHBondContact O-NH2 3.06Å
391	Q	95.6	Very high	96.4	Very high	117 Å²	117	41.8 Å²	41.8	55%	0.547	21%	0.205	S	C	.	.	S	Bend	trans	-91.2	9.4	-178.9	-59.1	-56.7	-40.9	0	0	113.2	F389 V438	F389-Q391 PolarHBondContact O-NE2 3.33Å; Q391-V438 VanDerWaalsContact O-CG1 3.29Å; Q391-V438 WeakPolarHBondContact O-CG1 3.29Å
392	C	97.1	Very high	96.3	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	23%	0.229	C	C	.	.	S	Bend	trans	-124.7	159.6	177.6	70.4	0	0	0	0	109.8	P373 L376 L390 G437 V438	P373-C392 VanDerWaalsContact O-CB 3.28Å; P373-C392 WeakPolarHBondContact O-CB 3.45Å; L376-C392 WeakPolarHBondContact O-CB 3.19Å; L390-C392 VanDerWaalsContact C-N 3.29Å; C392-G437 WeakPolarHBondContact O-CA 3.23Å; C392-V438 PolarHBondContact O-N 3.21Å
393	P	98	Very high	96.5	Very high	15 Å²	15	49.3 Å²	49.3	10%	0.097	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	130.9	-176.5	24.4	-29.7	0	0	0	111.4	F285 L376 A377 I378 V438 L439	F285-P393 HydrophobicContact CD1-CB 4.15Å; F285-P393 HydrophobicContact CD1-CG 3.83Å; F285-P393 HydrophobicContact CE1-CB 3.45Å; F285-P393 VanDerWaalsContact CE1-CB 3.45Å; F285-P393 HydrophobicContact CE1-CG 3.65Å; F285-P393 HydrophobicContact CZ-CB 3.96Å; L376-P393 WeakPolarHBondContact O-CD 3.3Å; A377-P393 HydrophobicContact CB-CG 4.17Å; I378-P393 PolarHBondContact N-O 3.44Å; P393-V438 HydrophobicContact CB-CG2 3.97Å; P393-V438 HydrophobicContact CG-CG2 4.47Å; P393-L439 HydrophobicContact CB-CD1 3.83Å; P393-L439 HydrophobicContact CB-CD2 3.75Å; P393-L439 HydrophobicContact CB-CG 3.6Å
394	V	98.5	Very high	96.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.4	-177	179.6	0	0	0	0	110.4	I378 L387 L390 R436	I378-V394 HydrophobicContact CB-CB 4.46Å; I378-V394 HydrophobicContact CB-CG1 4.37Å; I378-V394 HydrophobicContact CB-CG2 4.06Å; I378-V394 HydrophobicContact CD1-CG2 4.17Å; I378-V394 HydrophobicContact CG2-CG1 4.26Å; I378-V394 CarbonylContact O-C 3.57Å; I378-V394 WeakPolarHBondContact O-CA 3.47Å; L387-V394 HydrophobicContact CB-CG1 4.46Å; L387-V394 HydrophobicContact CD1-CG1 4.07Å; L387-V394 HydrophobicContact CD2-CG1 4.35Å; L390-V394 HydrophobicContact CB-CG2 4.24Å; L390-V394 HydrophobicContact CD1-CG2 3.75Å; V394-R436 HydrophobicContact CB-CB 3.86Å; V394-R436 HydrophobicContact CG1-CB 3.99Å; V394-R436 PolarHBondContact N-O 3.44Å; V394-R436 PolarHBondContact O-N 2.97Å
395	L	98.6	Very high	96.8	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.7	171.2	-61	168.9	0	0	0	108	L278 E281 L282 F285 I378 A379 T380 L433 R435 L439	L278-L395 HydrophobicContact CD1-CB 3.58Å; L278-L395 HydrophobicContact CD1-CD1 4.45Å; E281-L395 HydrophobicContact CB-CD1 3.57Å; E281-L395 HydrophobicContact CB-CD2 4.41Å; L282-L395 HydrophobicContact CB-CD1 4.32Å; F285-L395 HydrophobicContact CD2-CD1 4.48Å; F285-L395 HydrophobicContact CE2-CD1 3.89Å; F285-L395 HydrophobicContact CE2-CG 4.33Å; I378-L395 PolarHBondContact O-N 3.5Å; A379-L395 CarbonylContact C-O 3.59Å; A379-L395 VanDerWaalsContact CA-O 3.27Å; A379-L395 WeakPolarHBondContact CA-O 3.2Å; T380-L395 PolarHBondContact N-O 2.84Å; L395-L433 HydrophobicContact CB-CD1 4.37Å; L395-R435 HydrophobicContact CD2-CG 4.26Å; L395-L439 HydrophobicContact CD2-CD1 3.87Å; L395-L439 HydrophobicContact CG-CD1 4.32Å
396	A	98.3	Very high	96.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.3	-178.6	0	0	0	0	0	110.4	T380 G382 D383 L387 L433 Y434 R436	T380-A396 HydrophobicContact CG2-CB 4.03Å; T380-A396 CarbonylContact O-C 3.55Å; T380-A396 WeakPolarHBondContact O-CA 3.36Å; G382-A396 WeakPolarHBondContact O-CB 3.45Å; D383-A396 HydrophobicContact CB-CB 4.08Å; L387-A396 HydrophobicContact CD1-CB 4.16Å; A396-L433 CarbonylContact O-C 3.57Å; A396-Y434 PolarHBondContact N-O 3.16Å; A396-Y434 PolarHBondContact O-N 3.38Å; A396-R436 HydrophobicContact CB-CG 4.38Å
397	V	98	Very high	97	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.4	170.3	-66.7	0	0	0	0	110.6	M277 L278 T380 F381 G382 R431 N432 L433	M277-V397 HydrophobicContact CE-CG1 3.75Å; L278-V397 HydrophobicContact CB-CG1 3.96Å; L278-V397 HydrophobicContact CD1-CG1 4.13Å; L278-V397 HydrophobicContact CD2-CG1 4.16Å; L278-V397 HydrophobicContact CD2-CG2 3.78Å; L278-V397 HydrophobicContact CG-CG1 4.29Å; T380-V397 PolarHBondContact O-N 3.18Å; F381-V397 HydrophobicContact CB-CG2 4.27Å; F381-V397 HydrophobicContact CD1-CG2 3.67Å; F381-V397 HydrophobicContact CD2-CG2 3.85Å; F381-V397 HydrophobicContact CE1-CG2 3.86Å; F381-V397 HydrophobicContact CE2-CG2 4.03Å; F381-V397 HydrophobicContact CG-CG2 3.66Å; F381-V397 HydrophobicContact CZ-CG2 4.03Å; G382-V397 WeakPolarHBondContact CA-O 3.46Å; G382-V397 PolarHBondContact N-O 3.36Å; V397-R431 HydrophobicContact CB-CB 4.09Å; V397-N432 CarbonylContact C-O 3.52Å; V397-N432 VanDerWaalsContact CA-O 3.3Å; V397-N432 WeakPolarHBondContact CA-O 3.25Å; V397-L433 HydrophobicContact CG1-CB 4.48Å; V397-L433 HydrophobicContact CG1-CD1 3.82Å
398	A	95.9	Very high	97	Very high	7 Å²	7	40.3 Å²	40.3	6%	0.058	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	141	-177.3	0	0	0	0	0	112.4	D383 R431 N432 Y434	D383-A398 HydrophobicContact CB-CB 3.54Å; A398-R431 WeakPolarHBondContact O-CA 2.8Å; A398-R431 VanDerWaalsContact O-CB 3.3Å; A398-R431 WeakPolarHBondContact O-CB 3.29Å; A398-N432 PolarHBondContact N-O 3.43Å; A398-N432 PolarHBondContact O-N 2.51Å; A398-Y434 HydrophobicContact CB-CD2 3.97Å; A398-Y434 HydrophobicContact CB-CE2 3.51Å
399	Q	94.8	Very high	97	Very high	16 Å²	16	38.5 Å²	38.5	8%	0.075	17%	0.168	C	C	.	.			trans	-67.4	138.5	174.5	-163	165.6	28	0	0	111.2	S183 H401 V404	S183-Q399 PolarHBondContact OG-OE1 3.49Å; Q399-H401 PolarHBondContact O-CE1 3.32Å; Q399-H401 PolarHBondContact O-N 3.11Å; Q399-H401 PolarHBondContact O-ND1 3.05Å; Q399-V404 HydrophobicContact CG-CG2 3.94Å
400	R	96.4	Very high	97	Very high	107 Å²	107	35.7 Å²	35.7	40%	0.404	16%	0.157	S	C	.	.			trans	-77.2	67.8	172.2	-65.8	168.3	61.8	177	-5	109.1	R402 D403 V404 I429 K430 N432	R400-R402 PolarHBondContact O-N 3.39Å; R400-R402 VanDerWaalsContact O-N 3.11Å; R400-D403 HydrophobicContact CB-CB 4.11Å; R400-D403 IonicContact CZ-OD2 3.97Å; R400-D403 IonicContact NE-OD2 3.35Å; R400-D403 PolarHBondContact NE-OD2 3.36Å; R400-D403 IonicContact NH2-OD2 3.68Å; R400-D403 PolarHBondContact NH2-OD2 3.02Å; R400-D403 PolarHBondContact O-N 2.9Å; R400-V404 PolarHBondContact O-N 3.17Å; R400-I429 HydrophobicContact CB-CG2 4.23Å; R400-K430 WeakPolarHBondContact CD-O 3.43Å; R400-N432 WeakPolarHBondContact CD-OD1 3.47Å
401	H	96.4	Very high	97	Very high	25 Å²	25	34.6 Å²	34.6	12%	0.116	15%	0.151	C	C	.	.	H	α-helix	trans	-52.2	-38.9	-169.5	-49.5	95.8	0	0	0	113.3	R186 I187 Y190 Q399 A405	R186-H401 HydrophobicContact CB-CB 4.19Å; I187-H401 HydrophobicContact CG1-CB 3.91Å; Y190-H401 HydrophobicContact CD2-CB 4.04Å; Y190-H401 HydrophobicContact CE2-CB 4.06Å; Q399-H401 PolarHBondContact O-CE1 3.32Å; Q399-H401 PolarHBondContact O-N 3.11Å; Q399-H401 PolarHBondContact O-ND1 3.05Å; H401-A405 WeakPolarHBondContact O-CB 3.35Å; H401-A405 PolarHBondContact O-N 3.22Å
402	R	96.5	Very high	97	Very high	142 Å²	142	29 Å²	29	54%	0.536	13%	0.125	S	C	.	.	H	α-helix	trans	-60.9	-45.9	176.8	179.5	179.9	174.8	172.7	-1	111.7	Y190 R400 A405 E406	Y190-R402 HydrophobicContact CD1-CB 4.22Å; Y190-R402 HydrophobicContact CD1-CG 4.26Å; Y190-R402 HydrophobicContact CE1-CB 4.03Å; Y190-R402 HydrophobicContact CE1-CG 4.21Å; Y190-R402 HydrophobicContact CE2-CB 4.39Å; Y190-R402 HydrophobicContact CG-CB 4.49Å; R400-R402 PolarHBondContact O-N 3.39Å; R400-R402 VanDerWaalsContact O-N 3.11Å; R402-A405 PolarHBondContact O-N 3.27Å; R402-E406 VanDerWaalsContact O-CB 3.3Å; R402-E406 WeakPolarHBondContact O-CB 3.48Å; R402-E406 PolarHBondContact O-N 3.44Å
403	D	97.5	Very high	96.8	Very high	48 Å²	48	30.7 Å²	30.7	26%	0.257	13%	0.134	S	C	.	.	H	α-helix	trans	-74.5	-35.5	-174.4	-55.4	-12.3	0	0	0	110.7	R400 R407	R400-D403 HydrophobicContact CB-CB 4.11Å; R400-D403 IonicContact CZ-OD2 3.97Å; R400-D403 IonicContact NE-OD2 3.35Å; R400-D403 PolarHBondContact NE-OD2 3.36Å; R400-D403 IonicContact NH2-OD2 3.68Å; R400-D403 PolarHBondContact NH2-OD2 3.02Å; R400-D403 PolarHBondContact O-N 2.9Å; D403-R407 WeakPolarHBondContact O-CB 3.47Å; D403-R407 PolarHBondContact O-N 3Å
404	V	97.8	Very high	96.5	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-60.2	-51.5	170.2	174.4	0	0	0	0	110.5	I187 L255 V267 Q399 R400 E406 R407 V408 I429	I187-V404 HydrophobicContact CD1-CG1 4.06Å; I187-V404 HydrophobicContact CG1-CG1 4.47Å; I187-V404 HydrophobicContact CG2-CG1 4.47Å; L255-V404 HydrophobicContact CD1-CG1 3.31Å; V267-V404 HydrophobicContact CG1-CG1 4.24Å; Q399-V404 HydrophobicContact CG-CG2 3.94Å; R400-V404 PolarHBondContact O-N 3.17Å; V404-E406 PolarHBondContact O-N 3.44Å; V404-R407 PolarHBondContact O-N 2.82Å; V404-V408 WeakPolarHBondContact O-CB 3.35Å; V404-V408 WeakPolarHBondContact O-CG2 3.5Å; V404-V408 PolarHBondContact O-N 3.34Å; V404-I429 HydrophobicContact CB-CD1 4.31Å; V404-I429 HydrophobicContact CG2-CB 4.32Å; V404-I429 HydrophobicContact CG2-CD1 3.79Å; V404-I429 HydrophobicContact CG2-CG2 4.27Å
405	A	97.8	Very high	96.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.9	-46.2	179.1	0	0	0	0	0	112.3	I187 Y190 L191 H401 R402 R407 V408 L409	I187-A405 HydrophobicContact CG2-CB 4.31Å; Y190-A405 VanDerWaalsContact CB-CB 3.45Å; L191-A405 HydrophobicContact CD2-CB 4.04Å; L191-A405 VanDerWaalsContact CD2-O 3.26Å; L191-A405 WeakPolarHBondContact CD2-O 3.43Å; L191-A405 HydrophobicContact CG-CB 3.85Å; H401-A405 WeakPolarHBondContact O-CB 3.35Å; H401-A405 PolarHBondContact O-N 3.22Å; R402-A405 PolarHBondContact O-N 3.27Å; A405-R407 PolarHBondContact O-N 3.09Å; A405-V408 PolarHBondContact O-N 3.03Å; A405-L409 WeakPolarHBondContact O-CB 3.34Å; A405-L409 PolarHBondContact O-N 3.45Å
406	E	97.2	Very high	95.6	Very high	64 Å²	64	32.6 Å²	32.6	30%	0.299	15%	0.148	S	C	.	.	H	α-helix	trans	-60.2	-47.2	178	-176.4	157.2	-146.9	0	0	110.9	R402 V404 L409 E410	R402-E406 VanDerWaalsContact O-CB 3.3Å; R402-E406 WeakPolarHBondContact O-CB 3.48Å; R402-E406 PolarHBondContact O-N 3.44Å; V404-E406 PolarHBondContact O-N 3.44Å; E406-L409 PolarHBondContact O-N 3.05Å; E406-E410 WeakPolarHBondContact O-CB 3.28Å; E406-E410 VanDerWaalsContact O-CG 3.29Å; E406-E410 WeakPolarHBondContact O-CG 3.41Å; E406-E410 PolarHBondContact O-N 3.34Å
407	R	97.4	Very high	94.8	Very high	92 Å²	92	36 Å²	36	35%	0.347	17%	0.166	S	C	.	.	H	α-helix	trans	-64.1	-44.6	-179.9	-177	57.5	-178.1	158.1	2.5	112.8	V267 D403 V404 A405 L409 E410 I411 T427 I429	V267-R407 HydrophobicContact CG1-CB 4.49Å; V267-R407 HydrophobicContact CG1-CG 4.29Å; V267-R407 HydrophobicContact CG2-CG 4.02Å; D403-R407 WeakPolarHBondContact O-CB 3.47Å; D403-R407 PolarHBondContact O-N 3Å; V404-R407 PolarHBondContact O-N 2.82Å; A405-R407 PolarHBondContact O-N 3.09Å; R407-L409 VanDerWaalsContact C-N 3.35Å; R407-E410 IonicContact NH1-OE2 2.8Å; R407-E410 PolarHBondContact NH1-OE2 3.08Å; R407-E410 PolarHBondContact O-N 3.27Å; R407-I411 HydrophobicContact CG-CD1 4.08Å; R407-I411 WeakPolarHBondContact O-CD1 3.48Å; R407-I411 VanDerWaalsContact O-CG1 3.3Å; R407-I411 WeakPolarHBondContact O-CG1 3.37Å; R407-I411 PolarHBondContact O-N 3.09Å; R407-I411 VanDerWaalsContact O-N 3.1Å; R407-T427 HydrophobicContact CG-CG2 4.08Å; R407-I429 HydrophobicContact CB-CD1 4.18Å; R407-I429 HydrophobicContact CG-CD1 4.47Å
408	V	97.8	Very high	93.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-46.8	176.9	168.2	0	0	0	0	110.3	L191 I230 V253 L255 V267 V404 A405 E410 I411 V412	L191-V408 HydrophobicContact CD2-CB 4.38Å; L191-V408 HydrophobicContact CD2-CG1 4.27Å; I230-V408 HydrophobicContact CB-CG1 4.34Å; I230-V408 HydrophobicContact CD1-CG1 3.51Å; I230-V408 HydrophobicContact CG1-CG1 3.66Å; I230-V408 HydrophobicContact CG2-CG1 3.71Å; V253-V408 HydrophobicContact CG1-CG1 4.22Å; L255-V408 HydrophobicContact CD1-CG2 4.05Å; V267-V408 HydrophobicContact CB-CG2 3.59Å; V267-V408 HydrophobicContact CG1-CG2 4.07Å; V267-V408 HydrophobicContact CG2-CG2 3.57Å; V404-V408 WeakPolarHBondContact O-CB 3.35Å; V404-V408 WeakPolarHBondContact O-CG2 3.5Å; V404-V408 PolarHBondContact O-N 3.34Å; A405-V408 PolarHBondContact O-N 3.03Å; V408-E410 PolarHBondContact O-N 3.3Å; V408-I411 PolarHBondContact O-N 2.81Å; V408-V412 WeakPolarHBondContact O-CG2 3.24Å; V408-V412 PolarHBondContact O-N 2.79Å
409	L	96.6	Very high	91.5	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-38.3	-179.1	-175.1	63.1	0	0	0	112.1	I172 L191 Q194 A195 A405 E406 R407 I411 V412 L413	I172-L409 HydrophobicContact CD1-CD1 3.86Å; L191-L409 HydrophobicContact CD2-CB 4.06Å; Q194-L409 HydrophobicContact CB-CD2 3.43Å; Q194-L409 VanDerWaalsContact CB-CD2 3.43Å; A195-L409 HydrophobicContact CB-CD1 4.44Å; A405-L409 WeakPolarHBondContact O-CB 3.34Å; A405-L409 PolarHBondContact O-N 3.45Å; E406-L409 PolarHBondContact O-N 3.05Å; R407-L409 VanDerWaalsContact C-N 3.35Å; L409-I411 VanDerWaalsContact C-N 3.33Å; L409-I411 PolarHBondContact O-N 2.86Å; L409-V412 PolarHBondContact O-N 2.88Å; L409-L413 HydrophobicContact CD1-CD1 4.13Å; L409-L413 HydrophobicContact CD1-CG 4.06Å; L409-L413 HydrophobicContact CD2-CD1 4.39Å; L409-L413 HydrophobicContact CG-CD1 3.82Å; L409-L413 HydrophobicContact CG-CG 4.2Å; L409-L413 WeakPolarHBondContact O-CB 3.41Å; L409-L413 WeakPolarHBondContact O-CG 3.36Å; L409-L413 PolarHBondContact O-N 3.11Å
410	E	95.3	Very high	90.1	Very high	86 Å²	86	56.1 Å²	56.1	40%	0.402	26%	0.261	S	S	.	.	H	α-helix	trans	-56.6	-46.5	172.2	-78.1	175.2	177.2	0	0	112	E406 R407 V408 L413 A414	E406-E410 WeakPolarHBondContact O-CB 3.28Å; E406-E410 VanDerWaalsContact O-CG 3.29Å; E406-E410 WeakPolarHBondContact O-CG 3.41Å; E406-E410 PolarHBondContact O-N 3.34Å; R407-E410 IonicContact NH1-OE2 2.8Å; R407-E410 PolarHBondContact NH1-OE2 3.08Å; R407-E410 PolarHBondContact O-N 3.27Å; V408-E410 PolarHBondContact O-N 3.3Å; E410-L413 PolarHBondContact O-N 2.83Å; E410-A414 WeakPolarHBondContact O-CB 3.2Å; E410-A414 PolarHBondContact O-N 2.83Å
411	I	95.2	Very high	89	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-45.3	178.4	-67.8	160.6	0	0	0	110.4	V253 T265 V267 R407 V408 L409 A414 S415 P422	V253-I411 HydrophobicContact CG1-CG2 4.11Å; V253-I411 HydrophobicContact CG2-CB 4.49Å; V253-I411 HydrophobicContact CG2-CG2 3.63Å; T265-I411 HydrophobicContact CG2-CD1 3.77Å; T265-I411 HydrophobicContact CG2-CG1 4.35Å; T265-I411 HydrophobicContact CG2-CG2 3.79Å; V267-I411 HydrophobicContact CG2-CD1 3.46Å; V267-I411 VanDerWaalsContact CG2-CD1 3.46Å; R407-I411 HydrophobicContact CG-CD1 4.08Å; R407-I411 WeakPolarHBondContact O-CD1 3.48Å; R407-I411 VanDerWaalsContact O-CG1 3.3Å; R407-I411 WeakPolarHBondContact O-CG1 3.37Å; R407-I411 PolarHBondContact O-N 3.09Å; R407-I411 VanDerWaalsContact O-N 3.1Å; V408-I411 PolarHBondContact O-N 2.81Å; L409-I411 VanDerWaalsContact C-N 3.33Å; L409-I411 PolarHBondContact O-N 2.86Å; I411-A414 PolarHBondContact O-N 2.91Å; I411-S415 WeakPolarHBondContact O-CB 3.32Å; I411-S415 PolarHBondContact O-N 2.99Å; I411-S415 PolarHBondContact O-OG 3.17Å; I411-P422 HydrophobicContact CG2-CG 4.2Å
412	V	95.5	Very high	88.2	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-51	177.7	167.2	0	0	0	0	110.5	I172 A228 I230 V253 V408 L409 A414 S415 L416	I172-V412 HydrophobicContact CD1-CG1 3.92Å; I172-V412 HydrophobicContact CG1-CG1 4.31Å; A228-V412 HydrophobicContact CB-CG1 3.57Å; I230-V412 HydrophobicContact CD1-CG2 4.1Å; I230-V412 HydrophobicContact CG1-CG2 3.76Å; V253-V412 HydrophobicContact CB-CG2 4.19Å; V253-V412 HydrophobicContact CG2-CG2 3.71Å; V408-V412 WeakPolarHBondContact O-CG2 3.24Å; V408-V412 PolarHBondContact O-N 2.79Å; L409-V412 PolarHBondContact O-N 2.88Å; V412-A414 PolarHBondContact O-N 3.17Å; V412-S415 WeakPolarHBondContact O-CB 3.5Å; V412-S415 PolarHBondContact O-N 3.05Å; V412-S415 VanDerWaalsContact O-N 3.14Å; V412-L416 HydrophobicContact CG1-CD1 4.06Å; V412-L416 WeakPolarHBondContact O-CG 3.44Å; V412-L416 PolarHBondContact O-N 3.48Å
413	L	92.9	Very high	87.8	Confident	37 Å²	37	59.1 Å²	59.1	19%	0.194	29%	0.285	C	S	.	.	H	α-helix	trans	-67	-38.9	-177.2	-66.8	172.5	0	0	0	112.5	Y200 L409 E410 S415 L416 D417	Y200-L413 HydrophobicContact CD2-CD2 4.02Å; Y200-L413 HydrophobicContact CE2-CD2 3.44Å; Y200-L413 VanDerWaalsContact CE2-CD2 3.44Å; L409-L413 HydrophobicContact CD1-CD1 4.13Å; L409-L413 HydrophobicContact CD1-CG 4.06Å; L409-L413 HydrophobicContact CD2-CD1 4.39Å; L409-L413 HydrophobicContact CG-CD1 3.82Å; L409-L413 HydrophobicContact CG-CG 4.2Å; L409-L413 WeakPolarHBondContact O-CB 3.41Å; L409-L413 WeakPolarHBondContact O-CG 3.36Å; L409-L413 PolarHBondContact O-N 3.11Å; E410-L413 PolarHBondContact O-N 2.83Å; L413-S415 VanDerWaalsContact C-N 3.27Å; L413-S415 PolarHBondContact O-N 2.83Å; L413-L416 HydrophobicContact CD2-CD1 4.4Å; L413-L416 PolarHBondContact O-N 2.84Å; L413-D417 PolarHBondContact O-N 3.22Å
414	A	91.8	Very high	87.6	Confident	24 Å²	24	59.9 Å²	59.9	20%	0.198	29%	0.292	C	S	.	.	H	α-helix	trans	-64.2	-34	173.2	0	0	0	0	0	111.9	E410 I411 V412 L416 D417 R420 P422	E410-A414 WeakPolarHBondContact O-CB 3.2Å; E410-A414 PolarHBondContact O-N 2.83Å; I411-A414 PolarHBondContact O-N 2.91Å; V412-A414 PolarHBondContact O-N 3.17Å; A414-L416 VanDerWaalsContact C-N 3.32Å; A414-D417 CarbonylContact O-C 3.6Å; A414-D417 PolarHBondContact O-N 3.47Å; A414-R420 HydrophobicContact CB-CB 4.2Å; A414-R420 CarbonylContact O-C 3.5Å; A414-P422 HydrophobicContact CB-CG 4.02Å
415	S	90.2	Very high	87.4	Confident	14 Å²	14	60.8 Å²	60.8	10%	0.098	30%	0.302	C	S	.	.	H	α-helix	trans	-72.8	-25	175.3	-55.1	0	0	0	0	113.2	I411 V412 L413 D417 P422	I411-S415 WeakPolarHBondContact O-CB 3.32Å; I411-S415 PolarHBondContact O-N 2.99Å; I411-S415 PolarHBondContact O-OG 3.17Å; V412-S415 WeakPolarHBondContact O-CB 3.5Å; V412-S415 PolarHBondContact O-N 3.05Å; V412-S415 VanDerWaalsContact O-N 3.14Å; L413-S415 VanDerWaalsContact C-N 3.27Å; L413-S415 PolarHBondContact O-N 2.83Å; S415-D417 VanDerWaalsContact C-N 3.33Å; S415-P422 VanDerWaalsContact OG-CD 3.32Å; S415-P422 WeakPolarHBondContact OG-CD 3.13Å
416	L	88.3	Confident	87.2	Confident	18 Å²	18	64.2 Å²	64.2	9%	0.094	32%	0.319	C	S	.	.	H	α-helix	trans	-79.1	-17.2	175.1	-68.2	172.4	0	0	0	113.2	R168 Y200 D227 A228 P251 V412 L413 A414	R168-L416 VanDerWaalsContact NH1-CD2 3.29Å; R168-L416 PolarHBondContact NH2-O 2.93Å; R168-L416 VanDerWaalsContact NH2-O 3.07Å; Y200-L416 HydrophobicContact CE1-CD1 3.92Å; D227-L416 HydrophobicContact CB-CD1 4.37Å; D227-L416 HydrophobicContact CB-CD2 3.89Å; D227-L416 VanDerWaalsContact O-CD2 3.28Å; D227-L416 WeakPolarHBondContact O-CD2 3.34Å; A228-L416 HydrophobicContact CB-CD2 4.4Å; P251-L416 HydrophobicContact CG-CD2 3.97Å; P251-L416 HydrophobicContact CG-CG 4.35Å; V412-L416 HydrophobicContact CG1-CD1 4.06Å; V412-L416 WeakPolarHBondContact O-CG 3.44Å; V412-L416 PolarHBondContact O-N 3.48Å; L413-L416 HydrophobicContact CD2-CD1 4.4Å; L413-L416 PolarHBondContact O-N 2.84Å; A414-L416 VanDerWaalsContact C-N 3.32Å
417	D	81.7	Confident	87.2	Confident	70 Å²	70	63 Å²	63	37%	0.374	32%	0.316	S	S	.	.	S	Bend	trans	-106.3	92	177.6	-170.5	15	0	0	0	108.8	L413 A414 S415 P419 R420	L413-D417 PolarHBondContact O-N 3.22Å; A414-D417 CarbonylContact O-C 3.6Å; A414-D417 PolarHBondContact O-N 3.47Å; S415-D417 VanDerWaalsContact C-N 3.33Å; D417-P419 VanDerWaalsContact C-N 3.35Å; D417-P419 WeakPolarHBondContact O-CD 3.2Å; D417-R420 PolarHBondContact O-N 2.82Å; D417-R420 IonicContact OD2-NE 3.9Å; D417-R420 IonicContact OD2-NH1 3.26Å
418	E	63.7	Low	87.1	Confident	161 Å²	161	66.5 Å²	66.5	75%	0.752	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-42.5	-39.3	-169.5	-80.2	-177.1	176.3	0	0	117.4	R420	E418-R420 PolarHBondContact O-N 3.49Å
419	P	60.2	Low	87.1	Confident	114 Å²	114	67.5 Å²	67.5	74%	0.74	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-67.7	-4.9	177	25.4	-33.8	0	0	0	114.4	D417	D417-P419 VanDerWaalsContact C-N 3.35Å; D417-P419 WeakPolarHBondContact O-CD 3.2Å
420	R	66.4	Low	87.1	Confident	171 Å²	171	73.3 Å²	73.3	65%	0.645	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-124	12	-172.2	-64.8	179.7	173.2	171.3	-4.2	114.6	A414 D417 E418 P422	A414-R420 HydrophobicContact CB-CB 4.2Å; A414-R420 CarbonylContact O-C 3.5Å; D417-R420 PolarHBondContact O-N 2.82Å; D417-R420 IonicContact OD2-NE 3.9Å; D417-R420 IonicContact OD2-NH1 3.26Å; E418-R420 PolarHBondContact O-N 3.49Å; R420-P422 WeakPolarHBondContact O-CD 3.5Å
421	K	73	Confident	87.2	Confident	114 Å²	114	70.1 Å²	70.1	50%	0.496	34%	0.344	S	S	.	.			trans	-54	115.9	-179.2	-165.6	174.8	-174.8	176.6	0	110.5	D248	D248-K421 PolarHBondContact O-NZ 3.27Å
422	P	80.4	Confident	87.4	Confident	36 Å²	36	73.3 Å²	73.3	23%	0.234	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-63.5	151.5	179.1	-22.4	35.1	0	0	0	111.5	I411 A414 S415 R420	I411-P422 HydrophobicContact CG2-CG 4.2Å; A414-P422 HydrophobicContact CB-CG 4.02Å; S415-P422 VanDerWaalsContact OG-CD 3.32Å; S415-P422 WeakPolarHBondContact OG-CD 3.13Å; R420-P422 WeakPolarHBondContact O-CD 3.5Å
423	K	88	Confident	87.5	Confident	188 Å²	188	75.8 Å²	75.8	82%	0.817	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-68.3	143.6	170.4	-68.1	-174.9	178.1	-176.9	0	109.9	T265	T265-K423 PolarHBondContact OG1-O 3.31Å
424	P	92.3	Very high	87.7	Confident	64 Å²	64	77.9 Å²	77.9	42%	0.416	38%	0.38	S	S	.	.	S	Bend	trans	-51.3	151.8	168.3	-26.9	35.8	0	0	0	112.2	R261 E262	R261-P424 WeakPolarHBondContact O-CB 3.47Å; E262-P424 WeakPolarHBondContact O-CB 3.46Å
425	G	93.8	Very high	88	Confident	20 Å²	20	82.4 Å²	82.4	21%	0.206	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.4	-171.2	178.8	0	0	0	0	0	113.9	R261 F264 T265 S266	R261-G425 PolarHBondContact O-N 2.97Å; F264-G425 PolarHBondContact O-N 3.46Å; T265-G425 WeakPolarHBondContact CA-O 3.37Å; S266-G425 PolarHBondContact N-O 2.68Å
426	L	94.1	Very high	88.4	Confident	71 Å²	71	83.5 Å²	83.5	37%	0.372	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.7	-171.5	-165.9	68.2	0	0	0	110.5	A258 V268 R428	A258-L426 HydrophobicContact CB-CD1 4.02Å; V268-L426 HydrophobicContact CB-CD1 4.2Å; V268-L426 HydrophobicContact CG1-CD1 3.7Å; V268-L426 HydrophobicContact CG2-CD1 3.4Å; V268-L426 VanDerWaalsContact CG2-CD1 3.4Å; V268-L426 HydrophobicContact CG2-CD2 3.95Å; V268-L426 HydrophobicContact CG2-CG 3.72Å; L426-R428 HydrophobicContact CD2-CG 3.98Å; L426-R428 HydrophobicContact CG-CG 4.16Å
427	T	96	Very high	88.7	Confident	38 Å²	38	82.7 Å²	82.7	23%	0.233	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	117.8	164.9	-57.7	0	0	0	0	108.5	S266 V267 V268 R407 I429	S266-T427 PolarHBondContact O-N 2.79Å; V267-T427 WeakPolarHBondContact CA-O 3.33Å; V268-T427 PolarHBondContact N-O 3.28Å; R407-T427 HydrophobicContact CG-CG2 4.08Å; T427-I429 HydrophobicContact CG2-CG1 4.47Å
428	R	96.4	Very high	89.4	Confident	167 Å²	167	81.8 Å²	81.8	63%	0.63	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.7	175.4	-65.5	-179.3	179.9	142.6	-0.1	110.3	V268 A270 L426	V268-R428 HydrophobicContact CG2-CG 3.93Å; V268-R428 WeakPolarHBondContact O-CA 3.21Å; A270-R428 HydrophobicContact CB-CB 4.47Å; L426-R428 HydrophobicContact CD2-CG 3.98Å; L426-R428 HydrophobicContact CG-CG 4.16Å
429	I	97.3	Very high	91	Very high	21 Å²	21	75.5 Å²	75.5	11%	0.108	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.4	175.7	-62.4	175	0	0	0	108.4	V267 V268 A270 R400 V404 R407 T427	V267-I429 HydrophobicContact CG1-CD1 3.72Å; V267-I429 HydrophobicContact CG1-CG1 4.4Å; V268-I429 PolarHBondContact O-N 3.45Å; A270-I429 PolarHBondContact N-O 3.42Å; R400-I429 HydrophobicContact CB-CG2 4.23Å; V404-I429 HydrophobicContact CB-CD1 4.31Å; V404-I429 HydrophobicContact CG2-CB 4.32Å; V404-I429 HydrophobicContact CG2-CD1 3.79Å; V404-I429 HydrophobicContact CG2-CG2 4.27Å; R407-I429 HydrophobicContact CB-CD1 4.18Å; R407-I429 HydrophobicContact CG-CD1 4.47Å; T427-I429 HydrophobicContact CG2-CG1 4.47Å
430	K	97.2	Very high	92.5	Very high	124 Å²	124	72.6 Å²	72.6	54%	0.539	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-66	147.9	176.2	-68.1	-165.1	172.1	-162.6	0	111.7	A270 D273 R400	A270-K430 HydrophobicContact CB-CB 4.49Å; A270-K430 HydrophobicContact CB-CG 3.84Å; D273-K430 IonicContact OD2-NZ 2.85Å; R400-K430 WeakPolarHBondContact CD-O 3.43Å
431	R	97.8	Very high	93.5	Very high	20 Å²	20	70.7 Å²	70.7	8%	0.075	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-83.6	160.3	174.7	-70	178	175.3	88.3	-6.4	111.1	D271 D274 V397 A398	D271-R431 IonicContact OD1-CZ 2.63Å; D271-R431 IonicContact OD1-NH1 3.48Å; D271-R431 PolarHBondContact OD1-NH1 3.36Å; D271-R431 IonicContact OD1-NH2 2.68Å; D271-R431 PolarHBondContact OD1-NH2 2.92Å; D271-R431 IonicContact OD2-NH1 3.95Å; D274-R431 HydrophobicContact CB-CB 4.48Å; D274-R431 PolarHBondContact OD1-N 3.09Å; D274-R431 WeakPolarHBondContact OD2-CD 3.3Å; D274-R431 WeakPolarHBondContact OD2-CG 3.4Å; D274-R431 IonicContact OD2-CZ 3.44Å; D274-R431 PolarHBondContact OD2-N 2.75Å; D274-R431 IonicContact OD2-NE 3.65Å; D274-R431 IonicContact OD2-NH1 3.39Å; D274-R431 PolarHBondContact OD2-NH1 2.94Å; V397-R431 HydrophobicContact CB-CB 4.09Å; A398-R431 WeakPolarHBondContact O-CA 2.8Å; A398-R431 VanDerWaalsContact O-CB 3.3Å; A398-R431 WeakPolarHBondContact O-CB 3.29Å
432	N	97.6	Very high	93.3	Very high	68 Å²	68	72.3 Å²	72.3	36%	0.364	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.2	170.6	-70.8	-8.2	0	0	0	108.9	V397 A398 R400 Y434	V397-N432 CarbonylContact C-O 3.52Å; V397-N432 VanDerWaalsContact CA-O 3.3Å; V397-N432 WeakPolarHBondContact CA-O 3.25Å; A398-N432 PolarHBondContact N-O 3.43Å; A398-N432 PolarHBondContact O-N 2.51Å; R400-N432 WeakPolarHBondContact CD-OD1 3.47Å; N432-Y434 HydrophobicContact CB-CD2 4.29Å; N432-Y434 HydrophobicContact CB-CE2 3.46Å; N432-Y434 VanDerWaalsContact CB-CE2 3.46Å; N432-Y434 PolarHBondContact ND2-OH 2.72Å; N432-Y434 WeakPolarHBondContact O-CD2 3.37Å; N432-Y434 WeakPolarHBondContact O-CE2 3.47Å
433	L	97.9	Very high	94	Very high	52 Å²	52	74.2 Å²	74.2	27%	0.272	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.7	169.4	179.7	69.1	0	0	0	110.1	M277 L278 E281 L395 A396 V397	M277-L433 HydrophobicContact CE-CB 3.95Å; M277-L433 HydrophobicContact SD-CB 4.42Å; L278-L433 HydrophobicContact CD1-CD1 3.98Å; E281-L433 HydrophobicContact CG-CD2 3.78Å; L395-L433 HydrophobicContact CB-CD1 4.37Å; A396-L433 CarbonylContact O-C 3.57Å; V397-L433 HydrophobicContact CG1-CB 4.48Å; V397-L433 HydrophobicContact CG1-CD1 3.82Å
434	Y	97.8	Very high	94.3	Very high	80 Å²	80	68.2 Å²	68.2	31%	0.314	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.8	175.1	-62.7	-89.1	0	0	0	109.9	D383 A396 A398 N432	D383-Y434 HydrophobicContact CB-CD2 4.4Å; A396-Y434 PolarHBondContact N-O 3.16Å; A396-Y434 PolarHBondContact O-N 3.38Å; A398-Y434 HydrophobicContact CB-CD2 3.97Å; A398-Y434 HydrophobicContact CB-CE2 3.51Å; N432-Y434 HydrophobicContact CB-CD2 4.29Å; N432-Y434 HydrophobicContact CB-CE2 3.46Å; N432-Y434 VanDerWaalsContact CB-CE2 3.46Å; N432-Y434 PolarHBondContact ND2-OH 2.72Å; N432-Y434 WeakPolarHBondContact O-CD2 3.37Å; N432-Y434 WeakPolarHBondContact O-CE2 3.47Å
435	R	98	Very high	94.4	Very high	120 Å²	120	68.4 Å²	68.4	45%	0.453	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.3	170.4	-63.6	-174.4	-173.7	-78.8	-5.1	107.6	E281 L395 L439	E281-R435 IonicContact OE1-NH2 2.74Å; E281-R435 IonicContact OE2-CZ 2.75Å; E281-R435 IonicContact OE2-NH1 3.16Å; E281-R435 PolarHBondContact OE2-NH1 3.38Å; E281-R435 IonicContact OE2-NH2 3.42Å; E281-R435 PolarHBondContact OE2-NH2 2.84Å; L395-R435 HydrophobicContact CD2-CG 4.26Å; R435-L439 HydrophobicContact CB-CB 3.88Å; R435-L439 HydrophobicContact CB-CD1 4.46Å
436	R	97.8	Very high	94.4	Very high	37 Å²	37	71.2 Å²	71.2	14%	0.14	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	179.5	-172.2	-61.3	-67.7	-170	-170.5	-2.2	110.2	D383 L387 D388 V394 A396 L439	D383-R436 IonicContact OD1-CZ 3.04Å; D383-R436 IonicContact OD1-NE 2.77Å; D383-R436 PolarHBondContact OD1-NE 3.49Å; D383-R436 IonicContact OD1-NH2 2.66Å; D383-R436 PolarHBondContact OD1-NH2 3.24Å; D383-R436 IonicContact OD2-CZ 2.65Å; D383-R436 IonicContact OD2-NE 2.6Å; D383-R436 IonicContact OD2-NH2 3.86Å; D383-R436 PolarHBondContact OD2-NH2 3.24Å; L387-R436 HydrophobicContact CB-CB 3.81Å; L387-R436 HydrophobicContact CB-CG 4.05Å; L387-R436 HydrophobicContact CD1-CG 4.43Å; D388-R436 WeakPolarHBondContact OD1-CD 3.37Å; D388-R436 IonicContact OD1-NH1 3.66Å; D388-R436 IonicContact OD2-CZ 3.38Å; D388-R436 IonicContact OD2-NH1 3.55Å; D388-R436 PolarHBondContact OD2-NH1 3.31Å; V394-R436 HydrophobicContact CB-CB 3.86Å; V394-R436 HydrophobicContact CG1-CB 3.99Å; V394-R436 PolarHBondContact N-O 3.44Å; V394-R436 PolarHBondContact O-N 2.97Å; A396-R436 HydrophobicContact CB-CG 4.38Å; R436-L439 WeakPolarHBondContact O-CB 3.43Å; R436-L439 PolarHBondContact O-N 3.45Å
437	G	96	Very high	94.4	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	62.8	-134.8	-176.4	0	0	0	0	0	111.1	L387 L390 C392 L439 S440	L387-G437 VanDerWaalsContact O-CA 3.25Å; L387-G437 WeakPolarHBondContact O-CA 3.1Å; L387-G437 PolarHBondContact O-N 3.11Å; L390-G437 CarbonylContact O-C 3.55Å; L390-G437 WeakPolarHBondContact O-CA 3.39Å; C392-G437 WeakPolarHBondContact O-CA 3.23Å; G437-L439 PolarHBondContact O-N 3.29Å; G437-S440 PolarHBondContact O-N 3.5Å; G437-S440 PolarHBondContact O-OG 3.09Å
438	V	96.4	Very high	94.3	Very high	51 Å²	51	73.5 Å²	73.5	31%	0.309	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-65.3	-19.5	177.2	-61.8	0	0	0	0	113.3	L390 Q391 C392 P393 S440 R441	L390-V438 PolarHBondContact O-N 3.16Å; Q391-V438 VanDerWaalsContact O-CG1 3.29Å; Q391-V438 WeakPolarHBondContact O-CG1 3.29Å; C392-V438 PolarHBondContact O-N 3.21Å; P393-V438 HydrophobicContact CB-CG2 3.97Å; P393-V438 HydrophobicContact CG-CG2 4.47Å; V438-S440 VanDerWaalsContact C-N 3.32Å; V438-S440 PolarHBondContact O-N 3.13Å; V438-R441 PolarHBondContact O-N 2.74Å
439	L	95.9	Very high	94.2	Very high	30 Å²	30	66.8 Å²	66.8	16%	0.157	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-74.9	-17.6	179.5	-54.9	175.8	0	0	0	113.6	F285 P393 L395 R435 R436 G437 R441 S442	F285-L439 HydrophobicContact CE1-CD1 4.49Å; F285-L439 HydrophobicContact CE1-CD2 4.05Å; F285-L439 HydrophobicContact CZ-CD1 3.75Å; F285-L439 HydrophobicContact CZ-CD2 3.91Å; F285-L439 HydrophobicContact CZ-CG 4.42Å; P393-L439 HydrophobicContact CB-CD1 3.83Å; P393-L439 HydrophobicContact CB-CD2 3.75Å; P393-L439 HydrophobicContact CB-CG 3.6Å; L395-L439 HydrophobicContact CD2-CD1 3.87Å; L395-L439 HydrophobicContact CG-CD1 4.32Å; R435-L439 HydrophobicContact CB-CB 3.88Å; R435-L439 HydrophobicContact CB-CD1 4.46Å; R436-L439 WeakPolarHBondContact O-CB 3.43Å; R436-L439 PolarHBondContact O-N 3.45Å; G437-L439 PolarHBondContact O-N 3.29Å; L439-R441 VanDerWaalsContact C-N 3.27Å; L439-S442 PolarHBondContact O-OG 3.42Å
440	S	92.4	Very high	93.9	Very high	52 Å²	52	70.3 Å²	70.3	36%	0.364	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-85.4	-1.4	175.6	56.6	0	0	0	0	113.2	D388 G437 V438	D388-S440 VanDerWaalsContact OD1-CB 3.32Å; D388-S440 WeakPolarHBondContact OD1-CB 3.42Å; D388-S440 PolarHBondContact OD1-OG 3.03Å; G437-S440 PolarHBondContact O-N 3.5Å; G437-S440 PolarHBondContact O-OG 3.09Å; V438-S440 VanDerWaalsContact C-N 3.32Å; V438-S440 PolarHBondContact O-N 3.13Å
441	R	87.4	Confident	93.7	Very high	132 Å²	132	65.8 Å²	65.8	50%	0.498	33%	0.332	S	S	.	.			trans	-102.9	-14.8	-178.6	-54.2	178.6	-168.7	162.8	7.3	113.6	D388 L390 V438 L439	D388-R441 PolarHBondContact O-NH2 3.37Å; L390-R441 PolarHBondContact O-NH2 3.06Å; V438-R441 PolarHBondContact O-N 2.74Å; L439-R441 VanDerWaalsContact C-N 3.27Å
442	S	69.1	Low	93.3	Very high	148 Å²	148	70 Å²	70	100%	1.035	36%	0.355	S	S	*	.			trans	-89.5	0	172.3	59.6	0	0	0	0	110.2	L439	L439-S442 PolarHBondContact O-OG 3.42Å

Retrieved 442 of 442 residues in 260.9 ms (Link to these results)

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