A0A5K4FCN8_SCHMA Loading...

MTP_lip_bd domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCN8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 686 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	36.1	Very low	33.4	Very low	209 Å²	209	132.8 Å²	132.8	100%	1.03	62%	0.623	S	S	*	*				0	-50.2	0	-100.9	-179.7	-171.1	0	0	112.1	T3 R4 Y5	M1-T3 PolarHBondContact O-N 3.06Å; M1-R4 PolarHBondContact O-N 3.14Å; M1-R4 VanDerWaalsContact O-N 3.14Å; M1-Y5 PolarHBondContact O-N 3.45Å
2	I	30.7	Very low	34	Very low	135 Å²	135	134.3 Å²	134.3	69%	0.692	62%	0.62	S	S	*	*	H	α-helix	trans	-60.1	-43.3	179.5	-64.1	169.2	0	0	0	112.5	R4 Y5 I6	I2-R4 VanDerWaalsContact C-N 3.32Å; I2-R4 PolarHBondContact O-N 3.37Å; I2-Y5 PolarHBondContact O-N 3.1Å; I2-Y5 VanDerWaalsContact O-N 3.16Å; I2-I6 HydrophobicContact CG2-CD1 3.9Å; I2-I6 HydrophobicContact CG2-CG1 4.5Å; I2-I6 WeakPolarHBondContact O-CG1 3.3Å; I2-I6 PolarHBondContact O-N 3.02Å
3	T	27.2	Very low	34.5	Very low	117 Å²	117	130.6 Å²	130.6	72%	0.718	60%	0.604	S	S	*	*	H	α-helix	trans	-61.7	-34.7	173.9	26.1	0	0	0	0	113.6	M1 Y7	M1-T3 PolarHBondContact O-N 3.06Å; T3-Y7 VanDerWaalsContact O-CB 3.3Å; T3-Y7 WeakPolarHBondContact O-CB 3.42Å; T3-Y7 PolarHBondContact O-N 3.35Å
4	R	26.5	Very low	35	Very low	197 Å²	197	127.7 Å²	127.7	74%	0.743	59%	0.594	S	S	*	*	H	α-helix	trans	-73.4	-30.1	175.8	-157.8	172.5	-176.6	172.9	-0.1	112	M1 I2 N8	M1-R4 PolarHBondContact O-N 3.14Å; M1-R4 VanDerWaalsContact O-N 3.14Å; I2-R4 VanDerWaalsContact C-N 3.32Å; I2-R4 PolarHBondContact O-N 3.37Å; R4-N8 WeakPolarHBondContact O-CB 3.44Å; R4-N8 VanDerWaalsContact O-CG 3.25Å; R4-N8 PolarHBondContact O-N 3.5Å; R4-N8 VanDerWaalsContact O-N 3.1Å; R4-N8 PolarHBondContact O-OD1 2.95Å
5	Y	28.9	Very low	35.5	Very low	181 Å²	181	127.1 Å²	127.1	71%	0.71	59%	0.593	S	S	*	*	H	α-helix	trans	-75.8	-40.5	176.2	-162.9	-92.1	0	0	0	112.3	M1 I2 K9	M1-Y5 PolarHBondContact O-N 3.45Å; I2-Y5 PolarHBondContact O-N 3.1Å; I2-Y5 VanDerWaalsContact O-N 3.16Å; Y5-K9 PolarHBondContact O-N 2.75Å; Y5-K9 VanDerWaalsContact O-N 3.09Å
6	I	35	Very low	36.1	Very low	99 Å²	99	123.6 Å²	123.6	51%	0.508	58%	0.58	S	S	.	*	H	α-helix	trans	-65	-44.5	173.7	-65.4	169.7	0	0	0	110.1	I2 N8 K9 L10	I2-I6 HydrophobicContact CG2-CD1 3.9Å; I2-I6 HydrophobicContact CG2-CG1 4.5Å; I2-I6 WeakPolarHBondContact O-CG1 3.3Å; I2-I6 PolarHBondContact O-N 3.02Å; I6-N8 PolarHBondContact O-N 3.38Å; I6-K9 PolarHBondContact O-N 2.77Å; I6-L10 WeakPolarHBondContact O-CB 3.49Å; I6-L10 PolarHBondContact O-N 3.09Å
7	Y	30	Very low	36.4	Very low	171 Å²	171	122.6 Å²	122.6	67%	0.671	58%	0.578	S	S	*	*	H	α-helix	trans	-58.5	-50.5	176.3	-160.9	-93.8	0	0	0	111.2	T3 K9 L10 T11	T3-Y7 VanDerWaalsContact O-CB 3.3Å; T3-Y7 WeakPolarHBondContact O-CB 3.42Å; T3-Y7 PolarHBondContact O-N 3.35Å; Y7-K9 VanDerWaalsContact C-N 3.34Å; Y7-K9 PolarHBondContact O-N 3.13Å; Y7-L10 PolarHBondContact O-N 3.31Å; Y7-T11 PolarHBondContact O-N 3.31Å; Y7-T11 PolarHBondContact O-OG1 3.5Å
8	N	36.4	Very low	36.7	Very low	101 Å²	101	122.1 Å²	122.1	54%	0.54	58%	0.575	S	S	.	*	H	α-helix	trans	-61	-36.7	179	-75.9	-1.4	0	0	0	113.9	R4 I6 Y12	R4-N8 WeakPolarHBondContact O-CB 3.44Å; R4-N8 VanDerWaalsContact O-CG 3.25Å; R4-N8 PolarHBondContact O-N 3.5Å; R4-N8 VanDerWaalsContact O-N 3.1Å; R4-N8 PolarHBondContact O-OD1 2.95Å; I6-N8 PolarHBondContact O-N 3.38Å; N8-Y12 WeakPolarHBondContact O-CB 3.39Å; N8-Y12 PolarHBondContact O-N 3.16Å
9	K	38.3	Very low	37	Very low	131 Å²	131	118.4 Å²	118.4	57%	0.57	56%	0.564	S	S	*	*	H	α-helix	trans	-69.2	-39.4	178	-167.7	-179.8	179.9	-171.4	0	111.7	Y5 I6 Y7 Y12 Q13	Y5-K9 PolarHBondContact O-N 2.75Å; Y5-K9 VanDerWaalsContact O-N 3.09Å; I6-K9 PolarHBondContact O-N 2.77Å; Y7-K9 VanDerWaalsContact C-N 3.34Å; Y7-K9 PolarHBondContact O-N 3.13Å; K9-Y12 PolarHBondContact O-N 2.87Å; K9-Q13 WeakPolarHBondContact O-CG 3.47Å; K9-Q13 PolarHBondContact O-N 3.21Å
10	L	38.9	Very low	37.4	Very low	71 Å²	71	119.5 Å²	119.5	37%	0.372	56%	0.563	S	S	.	*	H	α-helix	trans	-71.8	-38.1	178.1	-136.3	146.3	0	0	0	111.1	I6 Y7 Q13 L14	I6-L10 WeakPolarHBondContact O-CB 3.49Å; I6-L10 PolarHBondContact O-N 3.09Å; Y7-L10 PolarHBondContact O-N 3.31Å; L10-Q13 PolarHBondContact O-N 3.06Å; L10-L14 HydrophobicContact CD2-CD1 3.84Å; L10-L14 HydrophobicContact CD2-CG 4.47Å; L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 PolarHBondContact O-N 3.1Å
11	T	39.1	Very low	37.6	Very low	49 Å²	49	119 Å²	119	30%	0.301	56%	0.561	S	S	.	*	H	α-helix	trans	-63.6	-41.2	172	-41.3	0	0	0	0	111.7	Y7 L14 M15	Y7-T11 PolarHBondContact O-N 3.31Å; Y7-T11 PolarHBondContact O-OG1 3.5Å; T11-L14 PolarHBondContact O-N 2.99Å; T11-M15 HydrophobicContact CG2-CE 4.28Å; T11-M15 WeakPolarHBondContact O-CB 3.41Å; T11-M15 WeakPolarHBondContact O-CG 3.42Å; T11-M15 PolarHBondContact O-N 2.78Å
12	Y	40.6	Very low	38.1	Very low	151 Å²	151	116.6 Å²	116.6	59%	0.592	55%	0.545	S	S	*	.	H	α-helix	trans	-63.9	-42.6	176.6	-173	-94.5	0	0	0	112	N8 K9 M15 N16	N8-Y12 WeakPolarHBondContact O-CB 3.39Å; N8-Y12 PolarHBondContact O-N 3.16Å; K9-Y12 PolarHBondContact O-N 2.87Å; Y12-M15 PolarHBondContact O-N 3.3Å; Y12-N16 PolarHBondContact O-N 2.59Å
13	Q	41.2	Very low	38.8	Very low	86 Å²	86	112.8 Å²	112.8	40%	0.402	52%	0.524	S	S	.	.	H	α-helix	trans	-67.6	-39.9	177.2	-72.2	178.3	-40.2	0	0	112.4	K9 L10 N16 I17	K9-Q13 WeakPolarHBondContact O-CG 3.47Å; K9-Q13 PolarHBondContact O-N 3.21Å; L10-Q13 PolarHBondContact O-N 3.06Å; Q13-N16 PolarHBondContact O-N 2.75Å; Q13-I17 WeakPolarHBondContact O-CG1 3.36Å; Q13-I17 PolarHBondContact O-N 3.01Å
14	L	40.4	Very low	39.4	Very low	90 Å²	90	110.8 Å²	110.8	47%	0.471	51%	0.512	S	S	.	.	H	α-helix	trans	-64.7	-39.1	172.9	-83	162.9	0	0	0	112.2	L10 T11 N16 I17 Q18	L10-L14 HydrophobicContact CD2-CD1 3.84Å; L10-L14 HydrophobicContact CD2-CG 4.47Å; L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 PolarHBondContact O-N 3.1Å; T11-L14 PolarHBondContact O-N 2.99Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.11Å; L14-I17 PolarHBondContact O-N 3.44Å; L14-Q18 WeakPolarHBondContact O-CB 3.49Å; L14-Q18 WeakPolarHBondContact O-CG 3.3Å; L14-Q18 PolarHBondContact O-N 2.88Å
15	M	43.1	Very low	40.2	Very low	118 Å²	118	106.3 Å²	106.3	58%	0.581	50%	0.496	S	S	*	.	H	α-helix	trans	-64.7	-35.8	174	-78	-171.3	175.1	0	0	112.2	T11 Y12 S19	T11-M15 HydrophobicContact CG2-CE 4.28Å; T11-M15 WeakPolarHBondContact O-CB 3.41Å; T11-M15 WeakPolarHBondContact O-CG 3.42Å; T11-M15 PolarHBondContact O-N 2.78Å; Y12-M15 PolarHBondContact O-N 3.3Å; M15-S19 VanDerWaalsContact O-CB 3.23Å; M15-S19 WeakPolarHBondContact O-CB 3.42Å; M15-S19 PolarHBondContact O-N 3.37Å
16	N	44.5	Very low	40.9	Very low	71 Å²	71	100.3 Å²	100.3	38%	0.38	48%	0.48	S	S	.	.	H	α-helix	trans	-67	-40.1	173.8	-81	8.7	0	0	0	112.2	Y12 Q13 L14 S19 Y20	Y12-N16 PolarHBondContact O-N 2.59Å; Q13-N16 PolarHBondContact O-N 2.75Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.11Å; N16-S19 WeakPolarHBondContact O-CB 3.22Å; N16-S19 PolarHBondContact O-N 3.44Å; N16-Y20 WeakPolarHBondContact O-CD2 3.43Å; N16-Y20 PolarHBondContact O-N 3.06Å
17	I	42.1	Very low	41.2	Very low	108 Å²	108	100.1 Å²	100.1	55%	0.554	48%	0.479	S	S	*	.	H	α-helix	trans	-66.2	-44.7	175.3	-65.2	168.9	0	0	0	110.6	Q13 L14 S19 Y20 E21	Q13-I17 WeakPolarHBondContact O-CG1 3.36Å; Q13-I17 PolarHBondContact O-N 3.01Å; L14-I17 PolarHBondContact O-N 3.44Å; I17-S19 VanDerWaalsContact C-N 3.25Å; I17-S19 PolarHBondContact O-N 3.37Å; I17-Y20 PolarHBondContact O-N 3.4Å; I17-E21 PolarHBondContact O-N 3.45Å
18	Q	41.6	Very low	41.9	Very low	112 Å²	112	93.9 Å²	93.9	52%	0.523	46%	0.456	S	S	.	.	H	α-helix	trans	-64.3	-30	174.2	-74.9	-176.3	-20.7	0	0	112.7	L14 K22	L14-Q18 WeakPolarHBondContact O-CB 3.49Å; L14-Q18 WeakPolarHBondContact O-CG 3.3Å; L14-Q18 PolarHBondContact O-N 2.88Å; Q18-K22 VanDerWaalsContact O-CB 3.32Å; Q18-K22 WeakPolarHBondContact O-CB 3.2Å; Q18-K22 WeakPolarHBondContact O-CG 3.49Å; Q18-K22 PolarHBondContact O-N 2.97Å
19	S	42.8	Very low	42.2	Very low	52 Å²	52	93.2 Å²	93.2	36%	0.364	45%	0.453	S	S	.	.	H	α-helix	trans	-65.2	-49.3	171	172.6	0	0	0	0	110.7	M15 N16 I17 E21 K22 Q23	M15-S19 VanDerWaalsContact O-CB 3.23Å; M15-S19 WeakPolarHBondContact O-CB 3.42Å; M15-S19 PolarHBondContact O-N 3.37Å; N16-S19 WeakPolarHBondContact O-CB 3.22Å; N16-S19 PolarHBondContact O-N 3.44Å; I17-S19 VanDerWaalsContact C-N 3.25Å; I17-S19 PolarHBondContact O-N 3.37Å; S19-E21 VanDerWaalsContact C-N 3.31Å; S19-E21 PolarHBondContact O-N 2.75Å; S19-K22 PolarHBondContact O-N 3.15Å; S19-Q23 WeakPolarHBondContact O-CB 3.39Å; S19-Q23 VanDerWaalsContact O-CG 3.23Å; S19-Q23 WeakPolarHBondContact O-CG 3.43Å; S19-Q23 PolarHBondContact O-N 2.87Å
20	Y	44.1	Very low	42.5	Very low	140 Å²	140	92 Å²	92	55%	0.549	45%	0.453	S	S	.	.	H	α-helix	trans	-59	-43	174.7	-80.7	-64.7	0	0	0	111.7	N16 I17 Q23 T24	N16-Y20 WeakPolarHBondContact O-CD2 3.43Å; N16-Y20 PolarHBondContact O-N 3.06Å; I17-Y20 PolarHBondContact O-N 3.4Å; Y20-Q23 WeakPolarHBondContact O-CB 3.23Å; Y20-Q23 PolarHBondContact O-N 3.27Å; Y20-T24 PolarHBondContact O-N 3.11Å; Y20-T24 PolarHBondContact O-OG1 2.81Å
21	E	41.8	Very low	42.8	Very low	109 Å²	109	92.5 Å²	92.5	51%	0.509	46%	0.458	S	S	.	.	H	α-helix	trans	-66.4	-43.1	179.1	-158.7	177.9	-164.1	0	0	112.2	I17 S19 Q23 T24 Y25	I17-E21 PolarHBondContact O-N 3.45Å; S19-E21 VanDerWaalsContact C-N 3.31Å; S19-E21 PolarHBondContact O-N 2.75Å; E21-Q23 VanDerWaalsContact C-N 3.31Å; E21-Q23 PolarHBondContact O-N 3.41Å; E21-T24 PolarHBondContact O-N 2.93Å; E21-T24 PolarHBondContact O-OG1 2.77Å; E21-Y25 HydrophobicContact CG-CD2 4.33Å; E21-Y25 HydrophobicContact CG-CE2 4.35Å; E21-Y25 WeakPolarHBondContact O-CD2 3.48Å; E21-Y25 PolarHBondContact O-N 2.94Å
22	K	47	Very low	42.9	Very low	160 Å²	160	98.3 Å²	98.3	70%	0.696	48%	0.479	S	S	*	.	H	α-helix	trans	-63.5	-35	171.4	-83.4	-177.2	176.5	178.1	0	112.4	Q18 S19 Y25 S26	Q18-K22 VanDerWaalsContact O-CB 3.32Å; Q18-K22 WeakPolarHBondContact O-CB 3.2Å; Q18-K22 WeakPolarHBondContact O-CG 3.49Å; Q18-K22 PolarHBondContact O-N 2.97Å; S19-K22 PolarHBondContact O-N 3.15Å; K22-Y25 PolarHBondContact O-N 2.83Å; K22-S26 WeakPolarHBondContact O-CB 3.06Å; K22-S26 PolarHBondContact O-N 3.19Å; K22-S26 PolarHBondContact O-OG 3.33Å
23	Q	44.5	Very low	43.2	Very low	54 Å²	54	97.3 Å²	97.3	25%	0.252	48%	0.484	S	S	.	.	H	α-helix	trans	-64.3	-45.8	174.6	-77.1	172.8	-0.8	0	0	110.3	S19 Y20 E21 Y25 S26 M27	S19-Q23 WeakPolarHBondContact O-CB 3.39Å; S19-Q23 VanDerWaalsContact O-CG 3.23Å; S19-Q23 WeakPolarHBondContact O-CG 3.43Å; S19-Q23 PolarHBondContact O-N 2.87Å; Y20-Q23 WeakPolarHBondContact O-CB 3.23Å; Y20-Q23 PolarHBondContact O-N 3.27Å; E21-Q23 VanDerWaalsContact C-N 3.31Å; E21-Q23 PolarHBondContact O-N 3.41Å; Q23-Y25 PolarHBondContact O-N 3.16Å; Q23-S26 PolarHBondContact O-N 3.4Å; Q23-S26 PolarHBondContact O-OG 3.03Å; Q23-M27 WeakPolarHBondContact O-CG 3.46Å; Q23-M27 PolarHBondContact O-N 3.02Å
24	T	40.8	Very low	43.2	Very low	76 Å²	76	98.5 Å²	98.5	47%	0.466	49%	0.493	S	S	.	.	H	α-helix	trans	-61.4	-41.8	174	-9.3	0	0	0	0	111.8	Y20 E21 M27 I28	Y20-T24 PolarHBondContact O-N 3.11Å; Y20-T24 PolarHBondContact O-OG1 2.81Å; E21-T24 PolarHBondContact O-N 2.93Å; E21-T24 PolarHBondContact O-OG1 2.77Å; T24-M27 WeakPolarHBondContact O-CB 3.39Å; T24-M27 PolarHBondContact O-N 2.74Å; T24-I28 WeakPolarHBondContact O-CD1 3.47Å; T24-I28 VanDerWaalsContact O-CG1 3.24Å; T24-I28 WeakPolarHBondContact O-CG1 3.29Å; T24-I28 PolarHBondContact O-N 3.29Å
25	Y	42.3	Very low	43.3	Very low	103 Å²	103	100.9 Å²	100.9	40%	0.404	51%	0.506	S	S	.	.	H	α-helix	trans	-66	-37.8	175.9	-92.9	-75.2	0	0	0	113.3	E21 K22 Q23 I28 N29 Q54	E21-Y25 HydrophobicContact CG-CD2 4.33Å; E21-Y25 HydrophobicContact CG-CE2 4.35Å; E21-Y25 WeakPolarHBondContact O-CD2 3.48Å; E21-Y25 PolarHBondContact O-N 2.94Å; K22-Y25 PolarHBondContact O-N 2.83Å; Q23-Y25 PolarHBondContact O-N 3.16Å; Y25-I28 PolarHBondContact O-N 3.35Å; Y25-N29 WeakPolarHBondContact O-CB 3.38Å; Y25-N29 PolarHBondContact O-N 3.29Å; Y25-Q54 PolarHBondContact OH-NE2 2.89Å
26	S	43.4	Very low	43.6	Very low	55 Å²	55	101.2 Å²	101.2	39%	0.385	51%	0.511	S	S	.	.	H	α-helix	trans	-66.8	-38.9	174.1	76	0	0	0	0	111.3	K22 Q23 I28 N29 D30	K22-S26 WeakPolarHBondContact O-CB 3.06Å; K22-S26 PolarHBondContact O-N 3.19Å; K22-S26 PolarHBondContact O-OG 3.33Å; Q23-S26 PolarHBondContact O-N 3.4Å; Q23-S26 PolarHBondContact O-OG 3.03Å; S26-I28 VanDerWaalsContact C-N 3.29Å; S26-I28 PolarHBondContact O-N 3.33Å; S26-N29 PolarHBondContact O-N 2.76Å; S26-D30 WeakPolarHBondContact O-CB 3.41Å; S26-D30 PolarHBondContact O-N 2.95Å
27	M	41.9	Very low	43.7	Very low	95 Å²	95	105.3 Å²	105.3	47%	0.468	53%	0.528	S	S	.	.	H	α-helix	trans	-60.5	-38	173.4	-78	179.1	165.1	0	0	111.8	Q23 T24 V31	Q23-M27 WeakPolarHBondContact O-CG 3.46Å; Q23-M27 PolarHBondContact O-N 3.02Å; T24-M27 WeakPolarHBondContact O-CB 3.39Å; T24-M27 PolarHBondContact O-N 2.74Å; M27-V31 VanDerWaalsContact O-CB 3.26Å; M27-V31 WeakPolarHBondContact O-CB 3.22Å; M27-V31 WeakPolarHBondContact O-CG2 3.42Å; M27-V31 PolarHBondContact O-N 3.08Å
28	I	44.1	Very low	43.9	Very low	39 Å²	39	107.2 Å²	107.2	20%	0.2	53%	0.534	C	S	.	.	H	α-helix	trans	-73.8	-40.2	178.7	-64.4	159.4	0	0	0	111.5	T24 Y25 S26 K32 T52	T24-I28 WeakPolarHBondContact O-CD1 3.47Å; T24-I28 VanDerWaalsContact O-CG1 3.24Å; T24-I28 WeakPolarHBondContact O-CG1 3.29Å; T24-I28 PolarHBondContact O-N 3.29Å; Y25-I28 PolarHBondContact O-N 3.35Å; S26-I28 VanDerWaalsContact C-N 3.29Å; S26-I28 PolarHBondContact O-N 3.33Å; I28-K32 WeakPolarHBondContact O-CB 3.43Å; I28-K32 PolarHBondContact O-N 2.87Å; I28-K32 VanDerWaalsContact O-N 3.11Å; I28-T52 HydrophobicContact CD1-CG2 3.41Å; I28-T52 VanDerWaalsContact CD1-CG2 3.41Å; I28-T52 HydrophobicContact CG1-CG2 3.82Å
29	N	43.1	Very low	44	Very low	88 Å²	88	105.7 Å²	105.7	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-79.8	-32.8	-176.8	-80.9	-21.5	0	0	0	114	Y25 S26 N33	Y25-N29 WeakPolarHBondContact O-CB 3.38Å; Y25-N29 PolarHBondContact O-N 3.29Å; S26-N29 PolarHBondContact O-N 2.76Å; N29-N33 PolarHBondContact O-N 3.24Å; N29-N33 PolarHBondContact O-ND2 3.13Å; N29-N33 VanDerWaalsContact O-ND2 3.14Å
30	D	45.6	Very low	44.2	Very low	106 Å²	106	109.2 Å²	109.2	57%	0.567	53%	0.533	S	S	*	.	H	α-helix	trans	-76.2	-27.6	176.3	-75.7	-19.2	0	0	0	112	S26	S26-D30 WeakPolarHBondContact O-CB 3.41Å; S26-D30 PolarHBondContact O-N 2.95Å
31	V	45.7	Very low	44.3	Very low	80 Å²	80	108.8 Å²	108.8	49%	0.485	54%	0.536	S	S	.	.	H	α-helix	trans	-80.5	-32	174.6	176	0	0	0	0	111.9	M27 N33 Y39	M27-V31 VanDerWaalsContact O-CB 3.26Å; M27-V31 WeakPolarHBondContact O-CB 3.22Å; M27-V31 WeakPolarHBondContact O-CG2 3.42Å; M27-V31 PolarHBondContact O-N 3.08Å; V31-N33 VanDerWaalsContact C-N 3.27Å; V31-N33 PolarHBondContact O-N 2.89Å; V31-Y39 HydrophobicContact CG1-CD2 4.05Å
32	K	40.4	Very low	44.3	Very low	172 Å²	172	107 Å²	107	75%	0.748	53%	0.527	S	S	*	.	H	α-helix	trans	-67.8	-23.4	172.5	-102.8	-179.3	174.2	175.8	0	114	I28	I28-K32 WeakPolarHBondContact O-CB 3.43Å; I28-K32 PolarHBondContact O-N 2.87Å; I28-K32 VanDerWaalsContact O-N 3.11Å
33	N	47.5	Very low	44.2	Very low	130 Å²	130	101.8 Å²	101.8	70%	0.695	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-5.9	-174.3	-75.6	-31.8	0	0	0	114.4	N29 V31	N29-N33 PolarHBondContact O-N 3.24Å; N29-N33 PolarHBondContact O-ND2 3.13Å; N29-N33 VanDerWaalsContact O-ND2 3.14Å; V31-N33 VanDerWaalsContact C-N 3.27Å; V31-N33 PolarHBondContact O-N 2.89Å
34	N	40.6	Very low	44.2	Very low	110 Å²	110	105.8 Å²	105.8	59%	0.588	53%	0.529	S	S	*	.	S	Bend	trans	-132	102.3	-178.3	-74.4	-43.3	0	0	0	111.7
35	N	41.6	Very low	44.2	Very low	140 Å²	140	107.4 Å²	107.4	75%	0.749	54%	0.539	S	S	*	.			trans	37.1	108.3	162.2	-69	-10.9	0	0	0	118.1	E37 Q38	N35-E37 PolarHBondContact O-N 3.07Å; N35-Q38 PolarHBondContact O-N 2.94Å
36	D	49.3	Very low	44.1	Very low	126 Å²	126	105 Å²	105	67%	0.674	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.5	-13.3	172	-81.1	-25.4	0	0	0	117.6	K40	D36-K40 WeakPolarHBondContact O-CB 3.44Å; D36-K40 VanDerWaalsContact O-CG 3.3Å; D36-K40 WeakPolarHBondContact O-CG 3.23Å; D36-K40 PolarHBondContact O-N 2.8Å
37	E	47.9	Very low	43.6	Very low	157 Å²	157	104.8 Å²	104.8	73%	0.734	54%	0.541	S	S	*	.	H	α-helix	trans	-73.5	-39.3	-178.7	-76.7	-169.3	155.1	0	0	113.7	N35 K40 Q41	N35-E37 PolarHBondContact O-N 3.07Å; E37-K40 PolarHBondContact O-N 3.19Å; E37-Q41 WeakPolarHBondContact O-CB 3.49Å; E37-Q41 PolarHBondContact O-N 3.33Å
38	Q	46.6	Very low	43.2	Very low	147 Å²	147	102.8 Å²	102.8	69%	0.687	53%	0.532	S	S	*	.	H	α-helix	trans	-70.4	-37.3	-178.7	-76.2	-173.7	-15.1	0	0	112.2	N35 Q41 F42	N35-Q38 PolarHBondContact O-N 2.94Å; Q38-Q41 PolarHBondContact O-N 2.84Å; Q38-F42 PolarHBondContact O-N 3.28Å
39	Y	42	Very low	42.7	Very low	81 Å²	81	107.1 Å²	107.1	32%	0.318	55%	0.552	S	S	.	*	H	α-helix	trans	-66.1	-42.5	175.1	-172.6	-109.1	0	0	0	111.5	V31 Q41 F42 I43	V31-Y39 HydrophobicContact CG1-CD2 4.05Å; Y39-Q41 VanDerWaalsContact C-N 3.3Å; Y39-Q41 PolarHBondContact O-N 2.93Å; Y39-F42 PolarHBondContact O-N 3.25Å; Y39-I43 HydrophobicContact CD1-CD1 3.63Å; Y39-I43 HydrophobicContact CE1-CD1 3.25Å; Y39-I43 HydrophobicContact CE1-CG1 4.32Å; Y39-I43 HydrophobicContact CE2-CD1 4.42Å; Y39-I43 HydrophobicContact CG-CD1 4.36Å; Y39-I43 WeakPolarHBondContact O-CG1 3.33Å; Y39-I43 PolarHBondContact O-N 2.91Å
40	K	47.9	Very low	42.2	Very low	125 Å²	125	108.7 Å²	108.7	54%	0.543	55%	0.554	S	S	.	*	H	α-helix	trans	-62.4	-36.5	171.6	-76.2	175.7	-178.9	173.5	0	112.3	D36 E37 N44	D36-K40 WeakPolarHBondContact O-CB 3.44Å; D36-K40 VanDerWaalsContact O-CG 3.3Å; D36-K40 WeakPolarHBondContact O-CG 3.23Å; D36-K40 PolarHBondContact O-N 2.8Å; E37-K40 PolarHBondContact O-N 3.19Å; K40-N44 WeakPolarHBondContact O-CB 3.47Å; K40-N44 PolarHBondContact O-N 2.81Å; K40-N44 PolarHBondContact O-ND2 3.29Å
41	Q	46.5	Very low	41.6	Very low	132 Å²	132	108.2 Å²	108.2	62%	0.617	55%	0.551	S	S	*	*	H	α-helix	trans	-69.8	-37.4	177.6	-150.8	173	16.8	0	0	111.8	E37 Q38 Y39 T45	E37-Q41 WeakPolarHBondContact O-CB 3.49Å; E37-Q41 PolarHBondContact O-N 3.33Å; Q38-Q41 PolarHBondContact O-N 2.84Å; Y39-Q41 VanDerWaalsContact C-N 3.3Å; Y39-Q41 PolarHBondContact O-N 2.93Å; Q41-T45 WeakPolarHBondContact O-CB 3.49Å; Q41-T45 WeakPolarHBondContact O-CG2 2.94Å; Q41-T45 PolarHBondContact O-N 3.37Å; Q41-T45 PolarHBondContact O-OG1 3Å
42	F	41.1	Very low	41	Very low	71 Å²	71	105.8 Å²	105.8	31%	0.311	54%	0.536	S	S	.	.	H	α-helix	trans	-66	-45.8	173.4	-177.2	-93.6	0	0	0	112.1	Q38 Y39 N44 T45 T46 F50	Q38-F42 PolarHBondContact O-N 3.28Å; Y39-F42 PolarHBondContact O-N 3.25Å; F42-N44 PolarHBondContact O-N 3.29Å; F42-T45 WeakPolarHBondContact CA-OG1 3.45Å; F42-T45 PolarHBondContact O-N 3.5Å; F42-T45 PolarHBondContact O-OG1 3.32Å; F42-T45 VanDerWaalsContact O-OG1 3.14Å; F42-T46 HydrophobicContact CD2-CG2 4.16Å; F42-T46 HydrophobicContact CE1-CG2 4.42Å; F42-T46 WeakPolarHBondContact CE1-OG1 3.38Å; F42-T46 HydrophobicContact CE2-CG2 3.81Å; F42-T46 HydrophobicContact CZ-CG2 3.94Å; F42-T46 WeakPolarHBondContact O-CB 3.38Å; F42-T46 PolarHBondContact O-N 3.07Å; F42-T46 PolarHBondContact O-OG1 2.88Å; F42-F50 AromaticContact CE1-CD2 3.85Å; F42-F50 HydrophobicContact CE1-CD2 3.85Å; F42-F50 AromaticContact CE1-CE2 3.63Å; F42-F50 HydrophobicContact CE1-CE2 3.63Å; F42-F50 HydrophobicContact CZ-CD2 4.35Å; F42-F50 AromaticContact CZ-CE2 3.68Å; F42-F50 HydrophobicContact CZ-CE2 3.68Å
43	I	45.7	Very low	40.7	Very low	51 Å²	51	107.2 Å²	107.2	26%	0.262	54%	0.537	S	S	.	.	H	α-helix	trans	-61.4	-45.5	175.3	-70.3	171.2	0	0	0	110.5	Y39 T45 G47	Y39-I43 HydrophobicContact CD1-CD1 3.63Å; Y39-I43 HydrophobicContact CE1-CD1 3.25Å; Y39-I43 HydrophobicContact CE1-CG1 4.32Å; Y39-I43 HydrophobicContact CE2-CD1 4.42Å; Y39-I43 HydrophobicContact CG-CD1 4.36Å; Y39-I43 WeakPolarHBondContact O-CG1 3.33Å; Y39-I43 PolarHBondContact O-N 2.91Å; I43-T45 VanDerWaalsContact C-N 3.28Å; I43-T45 PolarHBondContact O-N 2.9Å; I43-G47 WeakPolarHBondContact O-CA 3.35Å; I43-G47 PolarHBondContact O-N 2.84Å
44	N	44.2	Very low	40	Very low	138 Å²	138	105.2 Å²	105.2	74%	0.738	52%	0.523	S	S	*	.	H	α-helix	trans	-68.1	-23.6	179.6	-75	-16.7	0	0	0	113.8	K40 F42	K40-N44 WeakPolarHBondContact O-CB 3.47Å; K40-N44 PolarHBondContact O-N 2.81Å; K40-N44 PolarHBondContact O-ND2 3.29Å; F42-N44 PolarHBondContact O-N 3.29Å
45	T	41.6	Very low	39.7	Very low	109 Å²	109	103.4 Å²	103.4	67%	0.669	51%	0.513	S	S	*	.	H	α-helix	trans	-94.7	-30	-179.4	46	0	0	0	0	113.4	Q41 F42 I43	Q41-T45 WeakPolarHBondContact O-CB 3.49Å; Q41-T45 WeakPolarHBondContact O-CG2 2.94Å; Q41-T45 PolarHBondContact O-N 3.37Å; Q41-T45 PolarHBondContact O-OG1 3Å; F42-T45 WeakPolarHBondContact CA-OG1 3.45Å; F42-T45 PolarHBondContact O-N 3.5Å; F42-T45 PolarHBondContact O-OG1 3.32Å; F42-T45 VanDerWaalsContact O-OG1 3.14Å; I43-T45 VanDerWaalsContact C-N 3.28Å; I43-T45 PolarHBondContact O-N 2.9Å
46	T	39	Very low	39.3	Very low	52 Å²	52	100.8 Å²	100.8	32%	0.319	50%	0.498	S	S	.	.	H	α-helix	trans	-108.7	-22.1	-175.2	64.3	0	0	0	0	114	F42 I48	F42-T46 HydrophobicContact CD2-CG2 4.16Å; F42-T46 HydrophobicContact CE1-CG2 4.42Å; F42-T46 WeakPolarHBondContact CE1-OG1 3.38Å; F42-T46 HydrophobicContact CE2-CG2 3.81Å; F42-T46 HydrophobicContact CZ-CG2 3.94Å; F42-T46 WeakPolarHBondContact O-CB 3.38Å; F42-T46 PolarHBondContact O-N 3.07Å; F42-T46 PolarHBondContact O-OG1 2.88Å; T46-I48 PolarHBondContact O-N 2.99Å; T46-I48 PolarHBondContact OG1-N 2.91Å
47	G	32.7	Very low	38.6	Very low	51 Å²	51	100.8 Å²	100.8	53%	0.526	49%	0.494	S	S	.	.			trans	65.2	12	-169.2	0	0	0	0	0	113.7	I43	I43-G47 WeakPolarHBondContact O-CA 3.35Å; I43-G47 PolarHBondContact O-N 2.84Å
48	I	33.6	Very low	37.7	Very low	53 Å²	53	99.8 Å²	99.8	27%	0.272	48%	0.484	S	S	.	.			trans	-105	112.8	-175.3	-60.9	169.6	0	0	0	108.8	T46 F50	T46-I48 PolarHBondContact O-N 2.99Å; T46-I48 PolarHBondContact OG1-N 2.91Å; I48-F50 HydrophobicContact CG2-CD2 4.26Å; I48-F50 HydrophobicContact CG2-CE2 4.06Å; I48-F50 HydrophobicContact CG2-CZ 4.24Å
49	E	34.2	Very low	37.1	Very low	131 Å²	131	97.6 Å²	97.6	61%	0.612	48%	0.477	S	S	*	.			trans	-92.2	117.5	166.2	-165.1	174.9	-162.4	0	0	108.8	I51	E49-I51 PolarHBondContact O-N 3.38Å; E49-I51 VanDerWaalsContact O-N 3.13Å
50	F	32.4	Very low	37	Very low	121 Å²	121	98.7 Å²	98.7	53%	0.531	49%	0.489	S	S	.	.			trans	-79.8	93.5	173.8	-80.2	-77.1	0	0	0	109.8	F42 I48 T52	F42-F50 AromaticContact CE1-CD2 3.85Å; F42-F50 HydrophobicContact CE1-CD2 3.85Å; F42-F50 AromaticContact CE1-CE2 3.63Å; F42-F50 HydrophobicContact CE1-CE2 3.63Å; F42-F50 HydrophobicContact CZ-CD2 4.35Å; F42-F50 AromaticContact CZ-CE2 3.68Å; F42-F50 HydrophobicContact CZ-CE2 3.68Å; I48-F50 HydrophobicContact CG2-CD2 4.26Å; I48-F50 HydrophobicContact CG2-CE2 4.06Å; I48-F50 HydrophobicContact CG2-CZ 4.24Å; F50-T52 PolarHBondContact O-N 3.5Å
51	I	32.1	Very low	36.4	Very low	96 Å²	96	99.3 Å²	99.3	49%	0.492	49%	0.493	S	S	.	.			trans	-76	115.4	170.1	-56.8	174.6	0	0	0	107.9	E49 I55 I56	E49-I51 PolarHBondContact O-N 3.38Å; E49-I51 VanDerWaalsContact O-N 3.13Å; I51-I55 HydrophobicContact CG2-CB 4.3Å; I51-I55 HydrophobicContact CG2-CG2 4.22Å; I51-I56 HydrophobicContact CG2-CD1 3.81Å; I51-I56 HydrophobicContact CG2-CG1 3.43Å; I51-I56 VanDerWaalsContact CG2-CG1 3.43Å
52	T	35	Very low	35.8	Very low	29 Å²	29	97.6 Å²	97.6	18%	0.178	49%	0.486	C	S	.	.			trans	-86.1	152.9	174.7	59	0	0	0	0	109.8	I28 F50 Q54 I55 I56	I28-T52 HydrophobicContact CD1-CG2 3.41Å; I28-T52 VanDerWaalsContact CD1-CG2 3.41Å; I28-T52 HydrophobicContact CG1-CG2 3.82Å; F50-T52 PolarHBondContact O-N 3.5Å; T52-Q54 PolarHBondContact O-N 3.34Å; T52-Q54 VanDerWaalsContact O-N 3.09Å; T52-I55 WeakPolarHBondContact O-CB 3.44Å; T52-I55 PolarHBondContact O-N 3.04Å; T52-I55 WeakPolarHBondContact OG1-CD1 3.39Å; T52-I55 WeakPolarHBondContact OG1-CG1 3.35Å; T52-I56 PolarHBondContact O-N 2.8Å
53	W	34.3	Very low	35.8	Very low	202 Å²	202	100.4 Å²	100.4	77%	0.765	51%	0.505	S	S	*	.	H	α-helix	trans	-53	-31.4	176.7	-81.7	72.4	0	0	0	112.5	I56 E57	W53-I56 PolarHBondContact O-N 2.79Å; W53-E57 PolarHBondContact O-N 2.84Å
54	Q	31.1	Very low	35.4	Very low	87 Å²	87	106.6 Å²	106.6	41%	0.407	53%	0.53	S	S	.	.	H	α-helix	trans	-72.4	-24.6	175.3	-67.2	-176.3	-39	0	0	114.1	Y25 T52 Y58	Y25-Q54 PolarHBondContact OH-NE2 2.89Å; T52-Q54 PolarHBondContact O-N 3.34Å; T52-Q54 VanDerWaalsContact O-N 3.09Å; Q54-Y58 WeakPolarHBondContact O-CB 3.39Å; Q54-Y58 PolarHBondContact O-N 2.75Å
55	I	34.9	Very low	34.9	Very low	73 Å²	73	106.1 Å²	106.1	37%	0.374	53%	0.526	S	S	.	.	H	α-helix	trans	-78	-32.6	172.5	-67.7	167.7	0	0	0	109.9	I51 T52 Y58 L59	I51-I55 HydrophobicContact CG2-CB 4.3Å; I51-I55 HydrophobicContact CG2-CG2 4.22Å; T52-I55 WeakPolarHBondContact O-CB 3.44Å; T52-I55 PolarHBondContact O-N 3.04Å; T52-I55 WeakPolarHBondContact OG1-CD1 3.39Å; T52-I55 WeakPolarHBondContact OG1-CG1 3.35Å; I55-Y58 PolarHBondContact O-N 3.2Å; I55-L59 HydrophobicContact CG2-CD1 3.99Å; I55-L59 HydrophobicContact CG2-CG 4.46Å; I55-L59 VanDerWaalsContact O-CB 3.28Å; I55-L59 WeakPolarHBondContact O-CB 3.1Å; I55-L59 WeakPolarHBondContact O-CD1 3.33Å; I55-L59 WeakPolarHBondContact O-CG 3.32Å; I55-L59 PolarHBondContact O-N 3.06Å
56	I	32.9	Very low	34.6	Very low	84 Å²	84	107.6 Å²	107.6	43%	0.431	53%	0.53	S	S	.	.	H	α-helix	trans	-69.9	-44.8	172.5	-58.7	178.1	0	0	0	110	I51 T52 W53 L59 D60	I51-I56 HydrophobicContact CG2-CD1 3.81Å; I51-I56 HydrophobicContact CG2-CG1 3.43Å; I51-I56 VanDerWaalsContact CG2-CG1 3.43Å; T52-I56 PolarHBondContact O-N 2.8Å; W53-I56 PolarHBondContact O-N 2.79Å; I56-L59 PolarHBondContact O-N 3.13Å; I56-D60 WeakPolarHBondContact O-CB 3.42Å; I56-D60 PolarHBondContact O-N 3.48Å
57	E	35.2	Very low	34.7	Very low	126 Å²	126	112.6 Å²	112.6	59%	0.589	56%	0.555	S	S	*	*	H	α-helix	trans	-63.6	-37.9	170.9	-90.7	-178.8	149.1	0	0	112.6	W53 D60 E61	W53-E57 PolarHBondContact O-N 2.84Å; E57-D60 CarbonylContact O-C 3.6Å; E57-D60 PolarHBondContact O-N 2.84Å; E57-E61 VanDerWaalsContact O-CB 3.32Å; E57-E61 WeakPolarHBondContact O-CB 3.38Å; E57-E61 WeakPolarHBondContact O-CG 3.46Å; E57-E61 PolarHBondContact O-N 3.5Å
58	Y	29.6	Very low	35.2	Very low	136 Å²	136	114.2 Å²	114.2	53%	0.533	55%	0.551	S	S	.	*	H	α-helix	trans	-70.8	-32.3	176.8	-173.1	-95.8	0	0	0	112.4	Q54 I55 M62	Q54-Y58 WeakPolarHBondContact O-CB 3.39Å; Q54-Y58 PolarHBondContact O-N 2.75Å; I55-Y58 PolarHBondContact O-N 3.2Å; Y58-M62 HydrophobicContact CD1-CG 3.91Å; Y58-M62 HydrophobicContact CE1-CE 4.23Å; Y58-M62 HydrophobicContact CE1-CG 3.65Å; Y58-M62 HydrophobicContact CE1-SD 4.2Å; Y58-M62 HydrophobicContact CG-CG 4.44Å; Y58-M62 WeakPolarHBondContact O-CB 3.32Å; Y58-M62 WeakPolarHBondContact O-CG 3.46Å; Y58-M62 PolarHBondContact O-N 3.08Å
59	L	33.6	Very low	35.9	Very low	101 Å²	101	119.5 Å²	119.5	53%	0.529	57%	0.572	S	S	.	*	H	α-helix	trans	-73.3	-35	172.1	-74.8	167.1	0	0	0	111.5	I55 I56 N63	I55-L59 HydrophobicContact CG2-CD1 3.99Å; I55-L59 HydrophobicContact CG2-CG 4.46Å; I55-L59 VanDerWaalsContact O-CB 3.28Å; I55-L59 WeakPolarHBondContact O-CB 3.1Å; I55-L59 WeakPolarHBondContact O-CD1 3.33Å; I55-L59 WeakPolarHBondContact O-CG 3.32Å; I55-L59 PolarHBondContact O-N 3.06Å; I56-L59 PolarHBondContact O-N 3.13Å; L59-N63 VanDerWaalsContact O-CG 3.28Å; L59-N63 PolarHBondContact O-N 3.35Å; L59-N63 PolarHBondContact O-ND2 2.82Å
60	D	38.7	Very low	36.5	Very low	105 Å²	105	121.5 Å²	121.5	56%	0.561	57%	0.574	S	S	*	*	H	α-helix	trans	-71.9	-32.6	171.4	-81.7	-19.1	0	0	0	112.7	I56 E57	I56-D60 WeakPolarHBondContact O-CB 3.42Å; I56-D60 PolarHBondContact O-N 3.48Å; E57-D60 CarbonylContact O-C 3.6Å; E57-D60 PolarHBondContact O-N 2.84Å
61	E	35.8	Very low	37.1	Very low	138 Å²	138	121.1 Å²	121.1	65%	0.645	58%	0.577	S	S	*	*	H	α-helix	trans	-76.4	-34.7	172.9	-81.1	-171.7	154.9	0	0	112.7	E57 N63 F64	E57-E61 VanDerWaalsContact O-CB 3.32Å; E57-E61 WeakPolarHBondContact O-CB 3.38Å; E57-E61 WeakPolarHBondContact O-CG 3.46Å; E57-E61 PolarHBondContact O-N 3.5Å; E61-N63 VanDerWaalsContact C-N 3.3Å; E61-N63 PolarHBondContact O-N 3.35Å; E61-F64 VanDerWaalsContact O-CB 3.3Å; E61-F64 WeakPolarHBondContact O-CB 3.48Å; E61-F64 PolarHBondContact O-N 3.17Å; E61-F64 VanDerWaalsContact O-N 3.08Å
62	M	35.3	Very low	37.5	Very low	96 Å²	96	123.2 Å²	123.2	47%	0.473	58%	0.584	S	S	.	*	H	α-helix	trans	-71	-26.1	175.2	-75.9	-80.1	-87	0	0	112.3	Y58 F64 I65	Y58-M62 HydrophobicContact CD1-CG 3.91Å; Y58-M62 HydrophobicContact CE1-CE 4.23Å; Y58-M62 HydrophobicContact CE1-CG 3.65Å; Y58-M62 HydrophobicContact CE1-SD 4.2Å; Y58-M62 HydrophobicContact CG-CG 4.44Å; Y58-M62 WeakPolarHBondContact O-CB 3.32Å; Y58-M62 WeakPolarHBondContact O-CG 3.46Å; Y58-M62 PolarHBondContact O-N 3.08Å; M62-F64 PolarHBondContact O-N 3.13Å; M62-I65 PolarHBondContact O-N 3.43Å; M62-I65 HydrophobicContact SD-CD1 4.35Å
63	N	40.9	Very low	38	Very low	130 Å²	130	127.9 Å²	127.9	70%	0.695	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-7.5	169	-78.4	-26.9	0	0	0	113.4	L59 E61	L59-N63 VanDerWaalsContact O-CG 3.28Å; L59-N63 PolarHBondContact O-N 3.35Å; L59-N63 PolarHBondContact O-ND2 2.82Å; E61-N63 VanDerWaalsContact C-N 3.3Å; E61-N63 PolarHBondContact O-N 3.35Å
64	F	35.8	Very low	38.5	Very low	180 Å²	180	123 Å²	123	79%	0.789	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-5.8	176.6	-125.2	-91	0	0	0	114.2	E61 M62 N66	E61-F64 VanDerWaalsContact O-CB 3.3Å; E61-F64 WeakPolarHBondContact O-CB 3.48Å; E61-F64 PolarHBondContact O-N 3.17Å; E61-F64 VanDerWaalsContact O-N 3.08Å; M62-F64 PolarHBondContact O-N 3.13Å; F64-N66 PolarHBondContact O-N 2.91Å
65	I	34	Very low	38.9	Very low	128 Å²	128	123 Å²	123	66%	0.656	60%	0.598	S	S	*	*			trans	-95.6	71.9	178.6	-53.3	-179.1	0	0	0	110.1	M62 N67	M62-I65 PolarHBondContact O-N 3.43Å; M62-I65 HydrophobicContact SD-CD1 4.35Å; I65-N67 PolarHBondContact O-N 3.17Å
66	N	36.4	Very low	39.4	Very low	141 Å²	141	126.1 Å²	126.1	75%	0.754	61%	0.611	S	S	*	*			trans	-59.1	109.1	156.3	-83.3	-37.6	0	0	0	108.7	F64	F64-N66 PolarHBondContact O-N 2.91Å
67	N	40.3	Very low	40	Very low	156 Å²	156	129.8 Å²	129.8	83%	0.834	63%	0.626	S	S	*	*			trans	171	11.4	147.4	-88.7	-27	0	0	0	117.1	I65 K69	I65-N67 PolarHBondContact O-N 3.17Å; N67-K69 PolarHBondContact O-N 3.32Å
68	D	42.7	Very low	40.5	Very low	86 Å²	86	127.6 Å²	127.6	46%	0.46	62%	0.618	S	S	.	*			trans	-86.1	95.8	173.3	-150.7	-19.9	0	0	0	111.8	R70 I71	D68-R70 PolarHBondContact O-N 3.34Å; D68-R70 PolarHBondContact OD1-N 3.26Å; D68-R70 IonicContact OD1-NE 2.62Å; D68-R70 PolarHBondContact OD1-NE 2.93Å; D68-I71 PolarHBondContact O-N 3.35Å; D68-I71 VanDerWaalsContact O-N 3.07Å
69	K	49.1	Very low	40.9	Very low	164 Å²	164	127.9 Å²	127.9	71%	0.713	62%	0.624	S	S	*	*	H	α-helix	trans	-49.9	-18.2	174.3	-77	-177.8	173.1	-177.8	0	114.2	N67 E73	N67-K69 PolarHBondContact O-N 3.32Å; K69-E73 PolarHBondContact O-N 3.01Å
70	R	47.6	Very low	41.4	Very low	173 Å²	173	132.3 Å²	132.3	65%	0.653	64%	0.639	S	S	*	*	H	α-helix	trans	-74.6	-29.5	178.5	-74.6	178.5	-91.2	-164.9	-10.4	114.3	D68 I74	D68-R70 PolarHBondContact O-N 3.34Å; D68-R70 PolarHBondContact OD1-N 3.26Å; D68-R70 IonicContact OD1-NE 2.62Å; D68-R70 PolarHBondContact OD1-NE 2.93Å; R70-I74 WeakPolarHBondContact O-CD1 3.15Å; R70-I74 VanDerWaalsContact O-CG1 3.27Å; R70-I74 WeakPolarHBondContact O-CG1 3.32Å; R70-I74 PolarHBondContact O-N 3.2Å
71	I	43.6	Very low	41.6	Very low	113 Å²	113	133.4 Å²	133.4	58%	0.579	64%	0.636	S	S	*	*	H	α-helix	trans	-79.7	-34.6	179.7	-61.7	178.6	0	0	0	110.5	D68 I74 V75	D68-I71 PolarHBondContact O-N 3.35Å; D68-I71 VanDerWaalsContact O-N 3.07Å; I71-I74 PolarHBondContact O-N 3.37Å; I71-V75 HydrophobicContact CG2-CG2 4.33Å; I71-V75 VanDerWaalsContact O-CG2 3.3Å; I71-V75 WeakPolarHBondContact O-CG2 3.44Å; I71-V75 PolarHBondContact O-N 3.16Å
72	E	40.9	Very low	42.1	Very low	139 Å²	139	130.6 Å²	130.6	65%	0.65	63%	0.629	S	S	*	*	H	α-helix	trans	-61.8	-40.6	171.3	-110.6	-179.4	165	0	0	112.2	H76	E72-H76 WeakPolarHBondContact O-CB 3.4Å; E72-H76 PolarHBondContact O-N 3.22Å
73	E	46.4	Very low	42.4	Very low	128 Å²	128	132.1 Å²	132.1	60%	0.598	64%	0.638	S	S	*	*	H	α-helix	trans	-65.2	-40.5	175.8	-77.5	176.7	168.6	0	0	112.1	K69 H76 E77	K69-E73 PolarHBondContact O-N 3.01Å; E73-H76 PolarHBondContact O-N 3.18Å; E73-E77 WeakPolarHBondContact O-CB 3.44Å; E73-E77 WeakPolarHBondContact O-CG 3.45Å; E73-E77 PolarHBondContact O-N 3.3Å
74	I	43.1	Very low	42.8	Very low	99 Å²	99	131.9 Å²	131.9	51%	0.508	64%	0.637	S	S	.	*	H	α-helix	trans	-70.5	-35.8	179.6	-67	166.7	0	0	0	112.2	R70 I71 N78	R70-I74 WeakPolarHBondContact O-CD1 3.15Å; R70-I74 VanDerWaalsContact O-CG1 3.27Å; R70-I74 WeakPolarHBondContact O-CG1 3.32Å; R70-I74 PolarHBondContact O-N 3.2Å; I71-I74 PolarHBondContact O-N 3.37Å; I74-N78 WeakPolarHBondContact O-CB 3.34Å; I74-N78 PolarHBondContact O-N 2.89Å; I74-N78 PolarHBondContact O-ND2 2.94Å
75	V	40.1	Very low	43.5	Very low	88 Å²	88	127.1 Å²	127.1	53%	0.533	62%	0.617	S	S	.	*	H	α-helix	trans	-74.8	-36.1	177.6	173.5	0	0	0	0	111.1	I71	I71-V75 HydrophobicContact CG2-CG2 4.33Å; I71-V75 VanDerWaalsContact O-CG2 3.3Å; I71-V75 WeakPolarHBondContact O-CG2 3.44Å; I71-V75 PolarHBondContact O-N 3.16Å
76	H	45.1	Very low	44.2	Very low	138 Å²	138	124.5 Å²	124.5	64%	0.639	60%	0.604	S	S	*	*	H	α-helix	trans	-70.7	-31.3	175.1	-101.7	-57.9	0	0	0	113.7	E72 E73 H79	E72-H76 WeakPolarHBondContact O-CB 3.4Å; E72-H76 PolarHBondContact O-N 3.22Å; E73-H76 PolarHBondContact O-N 3.18Å; H76-H79 AromaticContact ND1-NE2 3.73Å; H76-H79 PolarHBondContact O-CD2 3.39Å
77	E	45.9	Very low	44.6	Very low	161 Å²	161	120.1 Å²	120.1	75%	0.752	58%	0.58	S	S	*	*	H	α-helix	trans	-76.9	-20.7	178.8	-77.7	-171.1	156.8	0	0	114	E73	E73-E77 WeakPolarHBondContact O-CB 3.44Å; E73-E77 WeakPolarHBondContact O-CG 3.45Å; E73-E77 PolarHBondContact O-N 3.3Å
78	N	45.9	Very low	45.1	Very low	79 Å²	79	118.1 Å²	118.1	42%	0.422	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.9	21.2	-168	-69.7	-49.9	0	0	0	116.1	I74 K80 Y81	I74-N78 WeakPolarHBondContact O-CB 3.34Å; I74-N78 PolarHBondContact O-N 2.89Å; I74-N78 PolarHBondContact O-ND2 2.94Å; N78-K80 PolarHBondContact O-N 2.89Å; N78-Y81 HydrophobicContact CB-CD2 4.4Å; N78-Y81 PolarHBondContact O-N 3.5Å
79	H	38.3	Very low	45.5	Very low	143 Å²	143	119.8 Å²	119.8	66%	0.662	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	9.1	175.7	-80.2	-59.8	0	0	0	116.6	H76	H76-H79 AromaticContact ND1-NE2 3.73Å; H76-H79 PolarHBondContact O-CD2 3.39Å
80	K	43.3	Very low	45.1	Very low	194 Å²	194	117.6 Å²	117.6	84%	0.843	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-8.1	-178	-74.2	-176	178	176.6	0	114.9	N78	N78-K80 PolarHBondContact O-N 2.89Å
81	Y	42.2	Very low	45	Very low	128 Å²	128	117.6 Å²	117.6	50%	0.502	57%	0.57	S	S	.	*			trans	-102.2	137.5	-176.2	-61.4	-72.5	0	0	0	112.8	N78 E85	N78-Y81 HydrophobicContact CB-CD2 4.4Å; N78-Y81 PolarHBondContact O-N 3.5Å; Y81-E85 WeakPolarHBondContact CA-OE2 3.21Å; Y81-E85 HydrophobicContact CD1-CB 4.42Å
82	T	46.9	Very low	45	Very low	79 Å²	79	113.9 Å²	113.9	49%	0.485	56%	0.559	S	S	.	*			trans	-78.9	158.7	173.5	55.4	0	0	0	0	111.6	D84 E85 I86	T82-D84 PolarHBondContact O-N 2.7Å; T82-E85 PolarHBondContact N-OE2 3.44Å; T82-E85 WeakPolarHBondContact O-CB 3.38Å; T82-E85 PolarHBondContact O-N 3.01Å; T82-E85 VanDerWaalsContact O-N 3.08Å; T82-E85 VanDerWaalsContact OG1-CD 3.27Å; T82-E85 VanDerWaalsContact OG1-CG 3.3Å; T82-E85 WeakPolarHBondContact OG1-CG 3.32Å; T82-E85 PolarHBondContact OG1-OE2 3.31Å; T82-I86 WeakPolarHBondContact O-CG1 3.48Å; T82-I86 PolarHBondContact O-N 3.07Å
83	L	42.9	Very low	45.2	Very low	128 Å²	128	112.9 Å²	112.9	67%	0.67	56%	0.562	S	S	*	*	H	α-helix	trans	-56.7	-38	-179.8	-172.9	70.7	0	0	0	112.2	I86 I87	L83-I86 PolarHBondContact O-N 3.2Å; L83-I87 HydrophobicContact CD2-CD1 4.48Å; L83-I87 HydrophobicContact CG-CD1 4Å; L83-I87 VanDerWaalsContact O-CG1 3.25Å; L83-I87 WeakPolarHBondContact O-CG1 3.46Å; L83-I87 PolarHBondContact O-N 3.41Å
84	D	47.9	Very low	45.1	Very low	124 Å²	124	114.3 Å²	114.3	66%	0.663	57%	0.574	S	S	*	*	H	α-helix	trans	-66.7	-39.5	176.9	-68.8	-32.5	0	0	0	111.8	T82 I86 I87 E88	T82-D84 PolarHBondContact O-N 2.7Å; D84-I86 VanDerWaalsContact C-N 3.32Å; D84-I86 PolarHBondContact O-N 3.35Å; D84-I87 PolarHBondContact O-N 2.8Å; D84-E88 WeakPolarHBondContact O-CB 3.45Å; D84-E88 PolarHBondContact O-N 2.85Å
85	E	51.5	Low	44.8	Very low	80 Å²	80	116.4 Å²	116.4	37%	0.374	58%	0.577	S	S	.	*	H	α-helix	trans	-65.3	-37.4	173.3	-72.2	167.6	148.2	0	0	111.2	Y81 T82 E88 I89	Y81-E85 WeakPolarHBondContact CA-OE2 3.21Å; Y81-E85 HydrophobicContact CD1-CB 4.42Å; T82-E85 PolarHBondContact N-OE2 3.44Å; T82-E85 WeakPolarHBondContact O-CB 3.38Å; T82-E85 PolarHBondContact O-N 3.01Å; T82-E85 VanDerWaalsContact O-N 3.08Å; T82-E85 VanDerWaalsContact OG1-CD 3.27Å; T82-E85 VanDerWaalsContact OG1-CG 3.3Å; T82-E85 WeakPolarHBondContact OG1-CG 3.32Å; T82-E85 PolarHBondContact OG1-OE2 3.31Å; E85-E88 PolarHBondContact O-N 3.34Å; E85-I89 VanDerWaalsContact O-CB 3.29Å; E85-I89 WeakPolarHBondContact O-CB 3.39Å; E85-I89 VanDerWaalsContact O-CD1 3.26Å; E85-I89 WeakPolarHBondContact O-CD1 3.38Å; E85-I89 WeakPolarHBondContact O-CG1 3.44Å; E85-I89 PolarHBondContact O-N 3.08Å
86	I	47.7	Very low	44.5	Very low	74 Å²	74	119.9 Å²	119.9	38%	0.379	59%	0.587	S	S	.	*	H	α-helix	trans	-65.3	-41.2	174.7	-65.1	168.3	0	0	0	110.6	T82 L83 D84 I89 L90	T82-I86 WeakPolarHBondContact O-CG1 3.48Å; T82-I86 PolarHBondContact O-N 3.07Å; L83-I86 PolarHBondContact O-N 3.2Å; D84-I86 VanDerWaalsContact C-N 3.32Å; D84-I86 PolarHBondContact O-N 3.35Å; I86-I89 PolarHBondContact O-N 3.25Å; I86-L90 HydrophobicContact CG2-CD1 3.81Å; I86-L90 HydrophobicContact CG2-CG 4.47Å; I86-L90 WeakPolarHBondContact O-CB 3.39Å; I86-L90 WeakPolarHBondContact O-CD1 3.44Å; I86-L90 WeakPolarHBondContact O-CG 3.5Å; I86-L90 PolarHBondContact O-N 3.32Å
87	I	44.3	Very low	44	Very low	49 Å²	49	117.9 Å²	117.9	25%	0.251	59%	0.585	S	S	.	*	H	α-helix	trans	-68.2	-39.9	177.4	-69.7	166.4	0	0	0	111.2	L83 D84 L90 Y91 Y95	L83-I87 HydrophobicContact CD2-CD1 4.48Å; L83-I87 HydrophobicContact CG-CD1 4Å; L83-I87 VanDerWaalsContact O-CG1 3.25Å; L83-I87 WeakPolarHBondContact O-CG1 3.46Å; L83-I87 PolarHBondContact O-N 3.41Å; D84-I87 PolarHBondContact O-N 2.8Å; I87-L90 PolarHBondContact O-N 2.96Å; I87-Y91 HydrophobicContact CG2-CD2 4.12Å; I87-Y91 PolarHBondContact O-N 2.9Å; I87-Y95 HydrophobicContact CG2-CD1 4.45Å
88	E	51.7	Low	43.2	Very low	113 Å²	113	116.3 Å²	116.3	53%	0.528	58%	0.58	S	S	.	*	H	α-helix	trans	-67.8	-36.7	176.3	-164.2	175.5	-169.1	0	0	111.7	D84 E85 G92	D84-E88 WeakPolarHBondContact O-CB 3.45Å; D84-E88 PolarHBondContact O-N 2.85Å; E85-E88 PolarHBondContact O-N 3.34Å; E88-G92 WeakPolarHBondContact O-CA 3.33Å; E88-G92 PolarHBondContact O-N 2.94Å; E88-G92 VanDerWaalsContact O-N 3.12Å
89	I	51.9	Low	42.3	Very low	121 Å²	121	121 Å²	121	62%	0.621	60%	0.599	S	S	*	*	H	α-helix	trans	-65.7	-36.2	171.9	-70.6	163.3	0	0	0	111.4	E85 I86	E85-I89 VanDerWaalsContact O-CB 3.29Å; E85-I89 WeakPolarHBondContact O-CB 3.39Å; E85-I89 VanDerWaalsContact O-CD1 3.26Å; E85-I89 WeakPolarHBondContact O-CD1 3.38Å; E85-I89 WeakPolarHBondContact O-CG1 3.44Å; E85-I89 PolarHBondContact O-N 3.08Å; I86-I89 PolarHBondContact O-N 3.25Å
90	L	40.8	Very low	41.9	Very low	119 Å²	119	120.7 Å²	120.7	62%	0.623	60%	0.602	S	S	*	*	H	α-helix	trans	-83.1	-39.3	-176.4	-74.2	169.6	0	0	0	114.2	I86 I87	I86-L90 HydrophobicContact CG2-CD1 3.81Å; I86-L90 HydrophobicContact CG2-CG 4.47Å; I86-L90 WeakPolarHBondContact O-CB 3.39Å; I86-L90 WeakPolarHBondContact O-CD1 3.44Å; I86-L90 WeakPolarHBondContact O-CG 3.5Å; I86-L90 PolarHBondContact O-N 3.32Å; I87-L90 PolarHBondContact O-N 2.96Å
91	Y	45.3	Very low	41.1	Very low	173 Å²	173	114.9 Å²	114.9	68%	0.678	60%	0.597	S	S	*	*	H	α-helix	trans	-116	-2.4	-169.6	-64.1	-77.6	0	0	0	114.7	I87	I87-Y91 HydrophobicContact CG2-CD2 4.12Å; I87-Y91 PolarHBondContact O-N 2.9Å
92	G	43.8	Very low	40.5	Very low	34 Å²	34	114.5 Å²	114.5	35%	0.351	60%	0.603	S	S	.	*			trans	75.5	169.3	178.9	0	0	0	0	0	114.1	E88 N94	E88-G92 WeakPolarHBondContact O-CA 3.33Å; E88-G92 PolarHBondContact O-N 2.94Å; E88-G92 VanDerWaalsContact O-N 3.12Å; G92-N94 PolarHBondContact O-N 3.35Å
93	T	44.9	Very low	39.8	Very low	118 Å²	118	117.3 Å²	117.3	72%	0.724	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-0.4	-169.1	53.1	0	0	0	0	115.7
94	N	43.5	Very low	39.4	Very low	158 Å²	158	113.6 Å²	113.6	85%	0.845	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	5.9	-178.3	-75.8	-13.1	0	0	0	113.9	G92 Q96	G92-N94 PolarHBondContact O-N 3.35Å; N94-Q96 PolarHBondContact O-N 3.38Å
95	Y	37.2	Very low	39.2	Very low	143 Å²	143	108.4 Å²	108.4	56%	0.561	56%	0.564	S	S	*	*			trans	-74.2	117.9	176.9	-173.7	-102.1	0	0	0	110.9	I87 T97	I87-Y95 HydrophobicContact CG2-CD1 4.45Å; Y95-T97 HydrophobicContact CE1-CG2 3.79Å
96	Q	34.3	Very low	38.7	Very low	161 Å²	161	107.5 Å²	107.5	75%	0.752	56%	0.561	S	S	*	*			trans	-107.6	116	168.6	-84.3	-171.9	-15.3	0	0	110.2	N94 I98	N94-Q96 PolarHBondContact O-N 3.38Å; Q96-I98 PolarHBondContact O-N 2.96Å
97	T	33	Very low	38.1	Very low	97 Å²	97	109.1 Å²	109.1	60%	0.595	58%	0.575	S	S	*	*			trans	-73.6	107.3	164.3	6	0	0	0	0	109.5	Y95	Y95-T97 HydrophobicContact CE1-CG2 3.79Å
98	I	30	Very low	37.9	Very low	128 Å²	128	114.3 Å²	114.3	66%	0.656	60%	0.595	S	S	*	*			trans	-103.3	110	168.9	-58.4	175.8	0	0	0	108.1	Q96 L100	Q96-I98 PolarHBondContact O-N 2.96Å; I98-L100 HydrophobicContact CG2-CG 4.47Å; I98-L100 PolarHBondContact O-N 3.31Å
99	H	27.2	Very low	37.2	Very low	178 Å²	178	112.3 Å²	112.3	82%	0.824	59%	0.594	S	S	*	*			trans	-70.1	93.3	173	-71.2	-77.5	0	0	0	110.4	G101	H99-G101 PolarHBondContact O-N 2.71Å
100	L	29.7	Very low	36.8	Very low	135 Å²	135	112.9 Å²	112.9	71%	0.707	60%	0.598	S	S	*	*			trans	-79.3	93.3	164.1	-74.7	167.5	0	0	0	108.5	I98 L102	I98-L100 HydrophobicContact CG2-CG 4.47Å; I98-L100 PolarHBondContact O-N 3.31Å; L100-L102 PolarHBondContact O-N 3.25Å
101	G	26.3	Very low	37.1	Very low	72 Å²	72	110.3 Å²	110.3	74%	0.742	59%	0.59	S	S	*	*			trans	-66.3	97.6	165	0	0	0	0	0	109.4	H99	H99-G101 PolarHBondContact O-N 2.71Å
102	L	30.6	Very low	37.6	Very low	121 Å²	121	104 Å²	104	63%	0.634	57%	0.571	S	S	*	*	S	Bend	trans	-179.4	114.6	153.1	-94.5	155.4	0	0	0	107.9	L100 Y104	L100-L102 PolarHBondContact O-N 3.25Å; L102-Y104 PolarHBondContact O-N 3.13Å; L102-Y104 VanDerWaalsContact O-N 3.15Å
103	I	31.2	Very low	37.9	Very low	138 Å²	138	103.5 Å²	103.5	71%	0.708	56%	0.562	S	S	*	*			trans	-58.5	111.1	176	-63.1	159.9	0	0	0	108.3	P105	I103-P105 CarbonylContact O-C 3.55Å
104	Y	35.5	Very low	38.1	Very low	49 Å²	49	98.4 Å²	98.4	19%	0.192	53%	0.531	C	S	.	.	S	Bend	trans	-100.5	141.2	168.7	-117.5	-86.6	0	0	0	108.6	L102 I162 E166 W630	L102-Y104 PolarHBondContact O-N 3.13Å; L102-Y104 VanDerWaalsContact O-N 3.15Å; Y104-I162 WeakPolarHBondContact OH-CG2 3.42Å; Y104-E166 VanDerWaalsContact CE1-CD 3.49Å; Y104-E166 WeakPolarHBondContact CE1-OE1 3.47Å; Y104-E166 WeakPolarHBondContact CE1-OE2 3.46Å; Y104-E166 PolarHBondContact OH-OE2 3.39Å; Y104-W630 HydrophobicContact CD1-CE3 4.49Å; Y104-W630 HydrophobicContact CE1-CZ3 4.5Å
105	P	43.3	Very low	38.3	Very low	15 Å²	15	94 Å²	94	10%	0.097	51%	0.507	C	S	.	.	S	Bend	cis	-65.4	157.1	-10.1	29.5	-34.3	0	0	0	111.1	I103 T107	I103-P105 CarbonylContact O-C 3.55Å; P105-T107 VanDerWaalsContact C-N 3.28Å; P105-T107 PolarHBondContact O-N 2.92Å
106	I	40.8	Very low	38.4	Very low	61 Å²	61	91 Å²	91	31%	0.313	50%	0.504	S	S	.	.			trans	-62.3	97.4	169.1	-60.1	172.2	0	0	0	106.5	K108	I106-K108 VanDerWaalsContact C-N 3.31Å; I106-K108 PolarHBondContact O-N 2.84Å
107	T	35.4	Very low	38.8	Very low	109 Å²	109	89.2 Å²	89.2	67%	0.669	50%	0.499	S	S	*	.			trans	-68	88.6	-179.7	43.3	0	0	0	0	109.7	P105	P105-T107 VanDerWaalsContact C-N 3.28Å; P105-T107 PolarHBondContact O-N 2.92Å
108	K	39.7	Very low	39.3	Very low	157 Å²	157	84.9 Å²	84.9	68%	0.683	47%	0.472	S	S	*	.			trans	-137.9	106.1	161.3	-77.1	-167.8	178.3	179.2	0	111.7	I106	I106-K108 VanDerWaalsContact C-N 3.31Å; I106-K108 PolarHBondContact O-N 2.84Å
109	S	38	Very low	39.9	Very low	71 Å²	71	81.6 Å²	81.6	50%	0.497	45%	0.454	S	S	.	.			trans	73.6	138.3	146.7	77.5	0	0	0	0	120.7	S113	S109-S113 WeakPolarHBondContact OG-CB 3.34Å; S109-S113 PolarHBondContact OG-OG 3.21Å
110	N	42.1	Very low	40.3	Very low	134 Å²	134	77 Å²	77	72%	0.717	44%	0.438	S	S	*	.			trans	-38.3	143.6	170.1	-69.1	-12.1	0	0	0	111.6	C112 S113 Q174	N110-C112 PolarHBondContact O-N 3.34Å; N110-S113 PolarHBondContact O-N 2.98Å; N110-Q174 PolarHBondContact O-NE2 3.29Å
111	S	48.3	Very low	40.4	Very low	64 Å²	64	75.4 Å²	75.4	45%	0.448	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-23.5	-171.8	49.8	0	0	0	0	115.1	C177	S111-C177 PolarHBondContact O-SG 3.36Å
112	C	54.2	Low	40.7	Very low	41 Å²	41	76.5 Å²	76.5	28%	0.277	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133	52.8	173.1	-71.8	0	0	0	0	114.2	N110 L114 N115 T116 C177	N110-C112 PolarHBondContact O-N 3.34Å; C112-L114 PolarHBondContact O-N 3.19Å; C112-N115 HydrophobicContact CB-CB 3.92Å; C112-N115 PolarHBondContact O-N 2.97Å; C112-T116 PolarHBondContact O-N 2.93Å; C112-C177 WeakPolarHBondContact CA-SG 3.5Å; C112-C177 HydrophobicContact CB-CB 3.65Å; C112-C177 WeakPolarHBondContact CB-SG 3.41Å; C112-C177 WeakPolarHBondContact SG-CB 3.24Å; C112-C177 CovalentContact SG-SG 2.04Å; C112-C177 PolarHBondContact SG-SG 3.12Å
113	S	50.9	Low	40.8	Very low	24 Å²	24	77.1 Å²	77.1	17%	0.168	44%	0.437	C	S	.	.	H	α-helix	trans	-59	-26.4	174.4	64.7	0	0	0	0	114.4	S109 N110 N115 T116 Q174	S109-S113 WeakPolarHBondContact OG-CB 3.34Å; S109-S113 PolarHBondContact OG-OG 3.21Å; N110-S113 PolarHBondContact O-N 2.98Å; S113-N115 VanDerWaalsContact C-N 3.29Å; S113-N115 PolarHBondContact O-N 3.13Å; S113-T116 PolarHBondContact O-OG1 3.38Å; S113-Q174 VanDerWaalsContact OG-CD 3.3Å; S113-Q174 PolarHBondContact OG-NE2 2.85Å; S113-Q174 PolarHBondContact OG-OE1 3.47Å
114	L	49.1	Very low	41	Very low	11 Å²	11	75.9 Å²	75.9	6%	0.058	44%	0.436	C	S	.	.	H	α-helix	trans	-67.4	-29.4	171.5	-69.4	179.8	0	0	0	112	C112 L118 L143 Y146 Q174	C112-L114 PolarHBondContact O-N 3.19Å; L114-L118 HydrophobicContact CB-CD1 3.91Å; L114-L118 HydrophobicContact CD2-CD1 3.39Å; L114-L118 HydrophobicContact CD2-CG 4.49Å; L114-L118 HydrophobicContact CG-CD1 4.17Å; L114-L118 WeakPolarHBondContact O-CB 3.34Å; L114-L118 WeakPolarHBondContact O-CG 3.44Å; L114-L118 PolarHBondContact O-N 2.92Å; L114-L118 VanDerWaalsContact O-N 3.16Å; L114-L143 HydrophobicContact CD1-CD1 4.14Å; L114-L143 HydrophobicContact CD2-CD1 4.18Å; L114-Y146 HydrophobicContact CD1-CD1 4.24Å; L114-Y146 HydrophobicContact CD1-CE1 4.15Å; L114-Y146 HydrophobicContact CD2-CD1 4.06Å; L114-Y146 HydrophobicContact CD2-CE1 4.48Å; L114-Y146 HydrophobicContact CD2-CG 4.23Å; L114-Q174 HydrophobicContact CD1-CB 3.63Å; L114-Q174 WeakPolarHBondContact CD1-O 3.33Å; L114-Q174 HydrophobicContact CG-CB 4.1Å
115	N	47.9	Very low	40.8	Very low	65 Å²	65	80.3 Å²	80.3	35%	0.348	46%	0.463	S	S	.	.	H	α-helix	trans	-82.6	-32.2	-174.9	-135	5.6	0	0	0	112.6	C112 S113 F119 C177	C112-N115 HydrophobicContact CB-CB 3.92Å; C112-N115 PolarHBondContact O-N 2.97Å; S113-N115 VanDerWaalsContact C-N 3.29Å; S113-N115 PolarHBondContact O-N 3.13Å; N115-F119 WeakPolarHBondContact OD1-CD2 3.32Å; N115-C177 HydrophobicContact CB-CB 4.37Å; N115-C177 PolarHBondContact ND2-O 3.49Å; N115-C177 PolarHBondContact OD1-O 2.91Å
116	T	39.7	Very low	40.2	Very low	81 Å²	81	85.2 Å²	85.2	50%	0.497	49%	0.493	S	S	.	.	H	α-helix	trans	-78.5	-21.1	-178.9	58.4	0	0	0	0	113.7	C112 S113 T120	C112-T116 PolarHBondContact O-N 2.93Å; S113-T116 PolarHBondContact O-OG1 3.38Å; T116-T120 WeakPolarHBondContact O-CG2 3.23Å; T116-T120 PolarHBondContact O-OG1 3.12Å
117	N	42.6	Very low	39.7	Very low	123 Å²	123	87.9 Å²	87.9	66%	0.658	51%	0.512	S	S	*	.	H	α-helix	trans	-119.6	-18.3	-173.7	-65.3	-1.1	0	0	0	114.4
118	L	44	Very low	39.7	Very low	6 Å²	6	90.2 Å²	90.2	3%	0.031	52%	0.515	C	S	.	.	H	α-helix	trans	-97.6	-17.3	178.6	-63.8	166.7	0	0	0	113.7	L114 Q139 N142	L114-L118 HydrophobicContact CB-CD1 3.91Å; L114-L118 HydrophobicContact CD2-CD1 3.39Å; L114-L118 HydrophobicContact CD2-CG 4.49Å; L114-L118 HydrophobicContact CG-CD1 4.17Å; L114-L118 WeakPolarHBondContact O-CB 3.34Å; L114-L118 WeakPolarHBondContact O-CG 3.44Å; L114-L118 PolarHBondContact O-N 2.92Å; L114-L118 VanDerWaalsContact O-N 3.16Å; L118-Q139 HydrophobicContact CD2-CB 4.05Å; L118-Q139 HydrophobicContact CD2-CG 4.14Å; L118-Q139 PolarHBondContact O-NE2 2.98Å; L118-N142 HydrophobicContact CD2-CB 3.96Å
119	F	41.8	Very low	39.5	Very low	59 Å²	59	91.2 Å²	91.2	26%	0.259	53%	0.528	S	S	.	.	S	Bend	trans	-122.4	2.8	-176.3	-62	-72.1	0	0	0	114.5	N115 P121 L178 P179	N115-F119 WeakPolarHBondContact OD1-CD2 3.32Å; F119-P121 VanDerWaalsContact O-CD 3.23Å; F119-P121 WeakPolarHBondContact O-CD 3.38Å; F119-L178 HydrophobicContact CE2-CD2 3.98Å; F119-L178 HydrophobicContact CZ-CD2 4.13Å; F119-P179 HydrophobicContact CD1-CG 4.41Å; F119-P179 HydrophobicContact CD2-CG 4.4Å; F119-P179 HydrophobicContact CE1-CG 4.03Å; F119-P179 HydrophobicContact CE2-CG 4.02Å; F119-P179 VanDerWaalsContact CZ-CD 3.45Å; F119-P179 HydrophobicContact CZ-CG 3.82Å
120	T	36	Very low	39.6	Very low	82 Å²	82	93.1 Å²	93.1	50%	0.503	54%	0.537	S	S	.	.	S	Bend	trans	-79.9	111.3	164.8	48.4	0	0	0	0	108.1	T116 T122	T116-T120 WeakPolarHBondContact O-CG2 3.23Å; T116-T120 PolarHBondContact O-OG1 3.12Å; T120-T122 PolarHBondContact O-N 3.49Å
121	P	31.2	Very low	39.7	Very low	100 Å²	100	90 Å²	90	65%	0.649	52%	0.523	S	S	*	.			trans	-57.1	127	165.1	26.3	-32	0	0	0	105.9	F119 T123	F119-P121 VanDerWaalsContact O-CD 3.23Å; F119-P121 WeakPolarHBondContact O-CD 3.38Å; P121-T123 PolarHBondContact O-N 3.29Å
122	T	33.3	Very low	39.8	Very low	95 Å²	95	93.1 Å²	93.1	58%	0.583	53%	0.534	S	S	*	.			trans	-58.5	96.3	166.9	38.4	0	0	0	0	106.6	T120 T124	T120-T122 PolarHBondContact O-N 3.49Å; T122-T124 PolarHBondContact O-N 2.97Å
123	T	31.7	Very low	39.8	Very low	134 Å²	134	97.5 Å²	97.5	82%	0.822	56%	0.555	S	S	*	*			trans	-70.3	74	163.7	48.1	0	0	0	0	106.6	P121	P121-T123 PolarHBondContact O-N 3.29Å
124	T	35.1	Very low	40.2	Very low	112 Å²	112	101.8 Å²	101.8	69%	0.687	58%	0.576	S	S	*	*			trans	-108.3	102.1	157	49.7	0	0	0	0	105.9	T122	T122-T124 PolarHBondContact O-N 2.97Å
125	D	31.8	Very low	40.9	Very low	143 Å²	143	104.4 Å²	104.4	77%	0.765	59%	0.59	S	S	*	*			trans	21.2	122.7	148.1	-66.4	-34.4	0	0	0	118.4
126	T	30.4	Very low	41.8	Very low	117 Å²	117	104.3 Å²	104.3	72%	0.718	59%	0.589	S	S	*	*	S	Bend	trans	67.8	112	140.5	58.3	0	0	0	0	117.9
127	T	30.5	Very low	43.5	Very low	118 Å²	118	106.1 Å²	106.1	72%	0.724	59%	0.592	S	S	*	*			trans	57.9	85	140.4	59.6	0	0	0	0	115.7
128	H	35.9	Very low	45.2	Very low	158 Å²	158	105.1 Å²	105.1	73%	0.731	58%	0.584	S	S	*	*			trans	-168.2	113.5	135	-95	-58.3	0	0	0	109.8	T130	H128-T130 PolarHBondContact O-N 2.83Å
129	N	35	Very low	46.8	Very low	178 Å²	178	106.5 Å²	106.5	95%	0.952	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	50.6	178.8	-75.2	-18.7	0	0	0	113.3
130	T	40.3	Very low	48.7	Very low	110 Å²	110	105.7 Å²	105.7	68%	0.675	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.2	12.2	-176.8	51.5	0	0	0	0	114.6	H128	H128-T130 PolarHBondContact O-N 2.83Å
131	T	44	Very low	51	Low	70 Å²	70	103.9 Å²	103.9	43%	0.429	58%	0.577	S	S	.	*			trans	-107.8	-8.3	-166	49.1	0	0	0	0	117	D133 N134 D135	T131-D133 PolarHBondContact O-N 3.41Å; T131-N134 PolarHBondContact O-N 2.74Å; T131-N134 VanDerWaalsContact O-N 3.12Å; T131-D135 PolarHBondContact O-N 3.42Å
132	D	51.1	Low	53.4	Low	128 Å²	128	102 Å²	102	68%	0.684	56%	0.561	S	S	*	*	H	α-helix	trans	-59.7	-32	-178.7	-77.1	-18.7	0	0	0	113.4	N136	D132-N136 WeakPolarHBondContact O-CB 3.33Å; D132-N136 VanDerWaalsContact O-CG 3.25Å; D132-N136 PolarHBondContact O-N 3.22Å; D132-N136 PolarHBondContact O-ND2 2.9Å
133	D	53.2	Low	55.9	Low	133 Å²	133	97.5 Å²	97.5	71%	0.711	53%	0.533	S	S	*	.	H	α-helix	trans	-74.9	-30.8	179	-79.2	-23.2	0	0	0	113	T131 H137	T131-D133 PolarHBondContact O-N 3.41Å; D133-H137 WeakPolarHBondContact O-CB 3.39Å; D133-H137 PolarHBondContact O-N 3.34Å; D133-H137 VanDerWaalsContact O-N 3.09Å
134	N	59.5	Low	58.5	Low	115 Å²	115	95.6 Å²	95.6	62%	0.615	51%	0.511	S	S	*	.	H	α-helix	trans	-73.9	-39.8	-179.7	-80.4	-14.9	0	0	0	111.6	T131 H137 Q138	T131-N134 PolarHBondContact O-N 2.74Å; T131-N134 VanDerWaalsContact O-N 3.12Å; N134-H137 PolarHBondContact O-N 2.94Å; N134-Q138 PolarHBondContact O-N 3.38Å
135	D	64.3	Low	60.9	Low	66 Å²	66	96 Å²	96	35%	0.353	51%	0.505	S	S	.	.	H	α-helix	trans	-68	-42.7	179	-70.1	-12.6	0	0	0	111	T131 H137 Q138 Q139	T131-D135 PolarHBondContact O-N 3.42Å; D135-H137 VanDerWaalsContact C-N 3.34Å; D135-H137 PolarHBondContact O-N 2.81Å; D135-Q138 PolarHBondContact O-N 3.46Å; D135-Q139 WeakPolarHBondContact O-CB 3.29Å; D135-Q139 VanDerWaalsContact O-CG 3.27Å; D135-Q139 WeakPolarHBondContact O-CG 3.44Å; D135-Q139 PolarHBondContact O-N 2.93Å
136	N	66.8	Low	63.5	Low	62 Å²	62	91.2 Å²	91.2	33%	0.332	48%	0.477	S	S	.	.	H	α-helix	trans	-61.8	-40.3	174.6	-73.6	-29.9	0	0	0	112.2	D132 L140 H183	D132-N136 WeakPolarHBondContact O-CB 3.33Å; D132-N136 VanDerWaalsContact O-CG 3.25Å; D132-N136 PolarHBondContact O-N 3.22Å; D132-N136 PolarHBondContact O-ND2 2.9Å; N136-L140 WeakPolarHBondContact O-CB 3.13Å; N136-L140 PolarHBondContact O-N 3.19Å; N136-H183 PolarHBondContact OD1-CE1 2.6Å
137	H	76	Confident	66.2	Low	119 Å²	119	85.8 Å²	85.8	55%	0.551	44%	0.444	S	S	*	.	H	α-helix	trans	-66.2	-42.3	177.1	-166.2	61.6	0	0	0	111.6	D133 N134 D135 L140 V141	D133-H137 WeakPolarHBondContact O-CB 3.39Å; D133-H137 PolarHBondContact O-N 3.34Å; D133-H137 VanDerWaalsContact O-N 3.09Å; N134-H137 PolarHBondContact O-N 2.94Å; D135-H137 VanDerWaalsContact C-N 3.34Å; D135-H137 PolarHBondContact O-N 2.81Å; H137-L140 PolarHBondContact O-N 3.41Å; H137-V141 VanDerWaalsContact O-CG2 3.28Å; H137-V141 WeakPolarHBondContact O-CG2 3.08Å; H137-V141 PolarHBondContact O-N 2.83Å
138	Q	78.3	Confident	69	Low	103 Å²	103	84 Å²	84	48%	0.481	43%	0.427	S	S	.	.	H	α-helix	trans	-66.5	-42.8	178.4	-170.7	62.3	32.3	0	0	112	N134 D135 L140 V141 N142	N134-Q138 PolarHBondContact O-N 3.38Å; D135-Q138 PolarHBondContact O-N 3.46Å; Q138-L140 VanDerWaalsContact C-N 3.32Å; Q138-L140 PolarHBondContact O-N 2.89Å; Q138-V141 PolarHBondContact O-N 3.3Å; Q138-N142 PolarHBondContact NE2-OD1 2.82Å; Q138-N142 WeakPolarHBondContact O-CB 3.04Å; Q138-N142 PolarHBondContact O-N 3.36Å; Q138-N142 PolarHBondContact O-ND2 2.93Å; Q138-N142 PolarHBondContact O-OD1 2.77Å
139	Q	76.6	Confident	71.5	Confident	34 Å²	34	79.6 Å²	79.6	16%	0.159	41%	0.414	C	S	.	.	H	α-helix	trans	-59.8	-43.1	174.8	-72.3	172.6	13.7	0	0	111.6	L118 D135 N142 L143 L187	L118-Q139 HydrophobicContact CD2-CB 4.05Å; L118-Q139 HydrophobicContact CD2-CG 4.14Å; L118-Q139 PolarHBondContact O-NE2 2.98Å; D135-Q139 WeakPolarHBondContact O-CB 3.29Å; D135-Q139 VanDerWaalsContact O-CG 3.27Å; D135-Q139 WeakPolarHBondContact O-CG 3.44Å; D135-Q139 PolarHBondContact O-N 2.93Å; Q139-N142 PolarHBondContact O-N 2.94Å; Q139-L143 WeakPolarHBondContact O-CB 3.3Å; Q139-L143 PolarHBondContact O-N 3.26Å; Q139-L187 HydrophobicContact CB-CD1 3.93Å
140	L	82.4	Confident	74.1	Confident	43 Å²	43	72.2 Å²	72.2	23%	0.225	37%	0.373	C	S	.	.	H	α-helix	trans	-61.6	-47.2	175.8	174.6	59.2	0	0	0	111.7	N136 H137 Q138 L143 R144 L187 S190 A191	N136-L140 WeakPolarHBondContact O-CB 3.13Å; N136-L140 PolarHBondContact O-N 3.19Å; H137-L140 PolarHBondContact O-N 3.41Å; Q138-L140 VanDerWaalsContact C-N 3.32Å; Q138-L140 PolarHBondContact O-N 2.89Å; L140-L143 PolarHBondContact O-N 2.86Å; L140-R144 WeakPolarHBondContact O-CB 3.16Å; L140-R144 PolarHBondContact O-N 2.82Å; L140-L187 HydrophobicContact CB-CD1 4.26Å; L140-S190 WeakPolarHBondContact CD1-OG 3.48Å; L140-A191 HydrophobicContact CD1-CB 3.87Å
141	V	83.7	Confident	76.4	Confident	43 Å²	43	73.7 Å²	73.7	26%	0.261	37%	0.366	S	S	.	.	H	α-helix	trans	-61.6	-44.9	178.4	171.2	0	0	0	0	110.7	H137 Q138 R144 Q145	H137-V141 VanDerWaalsContact O-CG2 3.28Å; H137-V141 WeakPolarHBondContact O-CG2 3.08Å; H137-V141 PolarHBondContact O-N 2.83Å; Q138-V141 PolarHBondContact O-N 3.3Å; V141-R144 PolarHBondContact O-N 3.36Å; V141-Q145 HydrophobicContact CG1-CG 4.34Å; V141-Q145 WeakPolarHBondContact O-CB 3.32Å; V141-Q145 VanDerWaalsContact O-CG 3.26Å; V141-Q145 WeakPolarHBondContact O-CG 3.44Å; V141-Q145 PolarHBondContact O-N 2.04Å
142	N	82.5	Confident	78.6	Confident	61 Å²	61	75.8 Å²	75.8	33%	0.326	38%	0.375	S	S	.	.	H	α-helix	trans	-63.3	-48.4	179	-70.7	-10.5	0	0	0	111.8	L118 Q138 Q139 R144 Q145 Y146	L118-N142 HydrophobicContact CD2-CB 3.96Å; Q138-N142 PolarHBondContact NE2-OD1 2.82Å; Q138-N142 WeakPolarHBondContact O-CB 3.04Å; Q138-N142 PolarHBondContact O-N 3.36Å; Q138-N142 PolarHBondContact O-ND2 2.93Å; Q138-N142 PolarHBondContact O-OD1 2.77Å; Q139-N142 PolarHBondContact O-N 2.94Å; N142-R144 VanDerWaalsContact C-N 3.33Å; N142-R144 PolarHBondContact O-N 2.69Å; N142-Q145 PolarHBondContact O-N 3.39Å; N142-Y146 WeakPolarHBondContact O-CB 3.31Å; N142-Y146 PolarHBondContact O-N 2.69Å
143	L	84.2	Confident	80.3	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-63.1	-41.5	177.8	-179.5	63.5	0	0	0	111.2	L114 Q139 L140 Y146 I147 L187 L188 A191	L114-L143 HydrophobicContact CD1-CD1 4.14Å; L114-L143 HydrophobicContact CD2-CD1 4.18Å; Q139-L143 WeakPolarHBondContact O-CB 3.3Å; Q139-L143 PolarHBondContact O-N 3.26Å; L140-L143 PolarHBondContact O-N 2.86Å; L143-Y146 WeakPolarHBondContact O-CB 3.41Å; L143-Y146 PolarHBondContact O-N 3.08Å; L143-I147 HydrophobicContact CD1-CD1 4.14Å; L143-I147 HydrophobicContact CD1-CG1 4.41Å; L143-I147 HydrophobicContact CG-CD1 4.01Å; L143-I147 WeakPolarHBondContact O-CG1 3.39Å; L143-I147 PolarHBondContact O-N 3.05Å; L143-L187 HydrophobicContact CD2-CD2 3.58Å; L143-L187 HydrophobicContact CD2-CG 4Å; L143-L188 HydrophobicContact CD2-CD1 4.22Å; L143-A191 HydrophobicContact CB-CB 4.33Å; L143-A191 HydrophobicContact CD2-CB 3.75Å; L143-A191 HydrophobicContact CG-CB 3.86Å
144	R	86.4	Confident	82	Confident	95 Å²	95	67.5 Å²	67.5	36%	0.358	32%	0.324	S	S	.	.	H	α-helix	trans	-64.4	-46.8	177.7	-177.5	174.6	175.1	-178.9	-1.2	111.8	L140 V141 N142 Y146 I147 E148 A191	L140-R144 WeakPolarHBondContact O-CB 3.16Å; L140-R144 PolarHBondContact O-N 2.82Å; V141-R144 PolarHBondContact O-N 3.36Å; N142-R144 VanDerWaalsContact C-N 3.33Å; N142-R144 PolarHBondContact O-N 2.69Å; R144-Y146 VanDerWaalsContact C-N 3.27Å; R144-Y146 PolarHBondContact O-N 2.84Å; R144-I147 PolarHBondContact O-N 3.02Å; R144-E148 HydrophobicContact CG-CG 4.26Å; R144-E148 IonicContact CZ-OE1 3.49Å; R144-E148 IonicContact NE-OE1 3.3Å; R144-E148 PolarHBondContact NE-OE1 3.48Å; R144-E148 IonicContact NH2-OE1 3.48Å; R144-E148 PolarHBondContact NH2-OE1 3.3Å; R144-E148 VanDerWaalsContact O-CB 3.3Å; R144-E148 WeakPolarHBondContact O-CB 3.28Å; R144-E148 WeakPolarHBondContact O-CG 3.48Å; R144-E148 PolarHBondContact O-N 2.92Å; R144-A191 HydrophobicContact CB-CB 4.31Å
145	Q	86.5	Confident	83.4	Confident	119 Å²	119	66.2 Å²	66.2	56%	0.556	32%	0.315	S	S	*	.	H	α-helix	trans	-60.6	-39.2	175.4	-75.9	177.2	-2.6	0	0	111.5	V141 N142 E148 S149	V141-Q145 HydrophobicContact CG1-CG 4.34Å; V141-Q145 WeakPolarHBondContact O-CB 3.32Å; V141-Q145 VanDerWaalsContact O-CG 3.26Å; V141-Q145 WeakPolarHBondContact O-CG 3.44Å; V141-Q145 PolarHBondContact O-N 2.04Å; N142-Q145 PolarHBondContact O-N 3.39Å; Q145-E148 PolarHBondContact O-N 3.14Å; Q145-S149 WeakPolarHBondContact O-CB 3.5Å; Q145-S149 PolarHBondContact O-N 2.79Å
146	Y	86.2	Confident	84.4	Confident	43 Å²	43	64.1 Å²	64.1	17%	0.169	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-50.9	175.6	-178.7	-101.6	0	0	0	111.6	L114 N142 L143 R144 S149 Y150 L171 Q174	L114-Y146 HydrophobicContact CD1-CD1 4.24Å; L114-Y146 HydrophobicContact CD1-CE1 4.15Å; L114-Y146 HydrophobicContact CD2-CD1 4.06Å; L114-Y146 HydrophobicContact CD2-CE1 4.48Å; L114-Y146 HydrophobicContact CD2-CG 4.23Å; N142-Y146 WeakPolarHBondContact O-CB 3.31Å; N142-Y146 PolarHBondContact O-N 2.69Å; L143-Y146 WeakPolarHBondContact O-CB 3.41Å; L143-Y146 PolarHBondContact O-N 3.08Å; R144-Y146 VanDerWaalsContact C-N 3.27Å; R144-Y146 PolarHBondContact O-N 2.84Å; Y146-S149 WeakPolarHBondContact O-CB 3.36Å; Y146-S149 PolarHBondContact O-N 3.04Å; Y146-S149 PolarHBondContact O-OG 3.29Å; Y146-Y150 HydrophobicContact CD1-CE2 4.46Å; Y146-Y150 HydrophobicContact CD2-CE2 4.46Å; Y146-Y150 AromaticContact CE1-CE2 3.87Å; Y146-Y150 HydrophobicContact CE1-CE2 3.87Å; Y146-Y150 AromaticContact CE2-CE2 3.85Å; Y146-Y150 HydrophobicContact CE2-CE2 3.85Å; Y146-Y150 AromaticContact CZ-CE2 3.49Å; Y146-Y150 VanDerWaalsContact CZ-CE2 3.49Å; Y146-Y150 VanDerWaalsContact O-CD2 3.28Å; Y146-Y150 WeakPolarHBondContact O-CD2 3.11Å; Y146-Y150 WeakPolarHBondContact OH-CE2 3.07Å; Y146-Y150 PolarHBondContact OH-OH 2.62Å; Y146-L171 HydrophobicContact CD1-CD1 4.32Å; Y146-L171 HydrophobicContact CE1-CD1 3.79Å; Y146-Q174 HydrophobicContact CE1-CB 3.92Å; Y146-Q174 HydrophobicContact CE1-CG 4.34Å; Y146-Q174 VanDerWaalsContact OH-CG 3.25Å; Y146-Q174 WeakPolarHBondContact OH-CG 3.41Å
147	I	87.7	Confident	85.3	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-43.9	177.4	-65.3	169.2	0	0	0	111.2	L143 R144 S149 Y150 L171 L188 A191 T192 W211 L215	L143-I147 HydrophobicContact CD1-CD1 4.14Å; L143-I147 HydrophobicContact CD1-CG1 4.41Å; L143-I147 HydrophobicContact CG-CD1 4.01Å; L143-I147 WeakPolarHBondContact O-CG1 3.39Å; L143-I147 PolarHBondContact O-N 3.05Å; R144-I147 PolarHBondContact O-N 3.02Å; I147-S149 PolarHBondContact O-N 3.02Å; I147-Y150 PolarHBondContact O-N 3.38Å; I147-Y150 VanDerWaalsContact O-N 3.13Å; I147-L171 HydrophobicContact CG1-CD1 4.42Å; I147-L188 HydrophobicContact CD1-CD1 3.92Å; I147-A191 HydrophobicContact CD1-CB 4.17Å; I147-T192 HydrophobicContact CD1-CG2 3.85Å; I147-W211 HydrophobicContact CG2-CH2 4.38Å; I147-W211 HydrophobicContact CG2-CZ3 4.23Å; I147-L215 HydrophobicContact CG2-CD1 4.12Å; I147-L215 HydrophobicContact CG2-CD2 4.03Å
148	E	87.9	Confident	85.8	Confident	80 Å²	80	63.7 Å²	63.7	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-65.9	-24.6	179.1	-74.2	-176.2	-178.7	0	0	112.4	R144 Q145 Y150 R151 W211	R144-E148 HydrophobicContact CG-CG 4.26Å; R144-E148 IonicContact CZ-OE1 3.49Å; R144-E148 IonicContact NE-OE1 3.3Å; R144-E148 PolarHBondContact NE-OE1 3.48Å; R144-E148 IonicContact NH2-OE1 3.48Å; R144-E148 PolarHBondContact NH2-OE1 3.3Å; R144-E148 VanDerWaalsContact O-CB 3.3Å; R144-E148 WeakPolarHBondContact O-CB 3.28Å; R144-E148 WeakPolarHBondContact O-CG 3.48Å; R144-E148 PolarHBondContact O-N 2.92Å; Q145-E148 PolarHBondContact O-N 3.14Å; E148-Y150 PolarHBondContact O-N 3.47Å; E148-R151 WeakPolarHBondContact O-CB 3.48Å; E148-R151 PolarHBondContact O-N 3.34Å; E148-W211 HydrophobicContact CG-CH2 4.35Å
149	S	89	Confident	86.3	Confident	66 Å²	66	58.8 Å²	58.8	46%	0.462	28%	0.282	S	S	.	.	H	α-helix	trans	-63.7	-21.6	173.8	80.2	0	0	0	0	113.4	Q145 Y146 I147	Q145-S149 WeakPolarHBondContact O-CB 3.5Å; Q145-S149 PolarHBondContact O-N 2.79Å; Y146-S149 WeakPolarHBondContact O-CB 3.36Å; Y146-S149 PolarHBondContact O-N 3.04Å; Y146-S149 PolarHBondContact O-OG 3.29Å; I147-S149 PolarHBondContact O-N 3.02Å
150	Y	89.2	Confident	86.7	Confident	23 Å²	23	57.2 Å²	57.2	9%	0.09	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-4.8	175	-68.9	-81.3	0	0	0	113.9	Y146 I147 E148 D152 Y153 L154 H170 L171	Y146-Y150 HydrophobicContact CD1-CE2 4.46Å; Y146-Y150 HydrophobicContact CD2-CE2 4.46Å; Y146-Y150 AromaticContact CE1-CE2 3.87Å; Y146-Y150 HydrophobicContact CE1-CE2 3.87Å; Y146-Y150 AromaticContact CE2-CE2 3.85Å; Y146-Y150 HydrophobicContact CE2-CE2 3.85Å; Y146-Y150 AromaticContact CZ-CE2 3.49Å; Y146-Y150 VanDerWaalsContact CZ-CE2 3.49Å; Y146-Y150 VanDerWaalsContact O-CD2 3.28Å; Y146-Y150 WeakPolarHBondContact O-CD2 3.11Å; Y146-Y150 WeakPolarHBondContact OH-CE2 3.07Å; Y146-Y150 PolarHBondContact OH-OH 2.62Å; I147-Y150 PolarHBondContact O-N 3.38Å; I147-Y150 VanDerWaalsContact O-N 3.13Å; E148-Y150 PolarHBondContact O-N 3.47Å; Y150-D152 VanDerWaalsContact C-N 3.27Å; Y150-D152 PolarHBondContact O-N 3.26Å; Y150-D152 VanDerWaalsContact O-N 3.17Å; Y150-Y153 HydrophobicContact CD1-CD2 4.32Å; Y150-Y153 PolarHBondContact O-N 3.03Å; Y150-L154 WeakPolarHBondContact O-CG 3.46Å; Y150-L154 PolarHBondContact O-N 2.9Å; Y150-L154 VanDerWaalsContact O-N 3.08Å; Y150-H170 HydrophobicContact CE1-CB 4.39Å; Y150-L171 HydrophobicContact CD2-CB 4.41Å; Y150-L171 HydrophobicContact CD2-CD1 3.99Å; Y150-L171 HydrophobicContact CD2-CD2 4.4Å; Y150-L171 HydrophobicContact CE2-CB 4.44Å; Y150-L171 HydrophobicContact CE2-CD1 4.17Å; Y150-L171 HydrophobicContact CG-CD2 4.4Å
151	R	89.9	Confident	87	Confident	140 Å²	140	56.1 Å²	56.1	53%	0.528	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-44.5	-174.3	172.8	177.2	173	-172.9	-3.3	113.3	E148 L154 H155 W211	E148-R151 WeakPolarHBondContact O-CB 3.48Å; E148-R151 PolarHBondContact O-N 3.34Å; R151-L154 PolarHBondContact O-N 3.49Å; R151-H155 PolarHBondContact O-N 3.43Å; R151-W211 HydrophobicContact CB-CD2 4.24Å; R151-W211 HydrophobicContact CB-CE3 4.39Å; R151-W211 HydrophobicContact CG-CD2 3.89Å; R151-W211 HydrophobicContact CG-CG 3.85Å
152	D	88.3	Confident	87.2	Confident	115 Å²	115	54.6 Å²	54.6	62%	0.615	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-39.6	-176.7	-67.5	-19.9	0	0	0	110.8	Y150 L154 H155 L158	Y150-D152 VanDerWaalsContact C-N 3.27Å; Y150-D152 PolarHBondContact O-N 3.26Å; Y150-D152 VanDerWaalsContact O-N 3.17Å; D152-L154 VanDerWaalsContact C-N 3.28Å; D152-L154 PolarHBondContact O-N 3.21Å; D152-H155 WeakPolarHBondContact O-CB 3.16Å; D152-H155 PolarHBondContact O-N 3.34Å; D152-L158 WeakPolarHBondContact O-CD1 3.17Å
153	Y	88.5	Confident	87.4	Confident	85 Å²	85	56.2 Å²	56.2	33%	0.333	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-19.5	177.8	-52.9	-69.3	0	0	0	114	Y150 K163 S164 S167	Y150-Y153 HydrophobicContact CD1-CD2 4.32Å; Y150-Y153 PolarHBondContact O-N 3.03Å; Y153-K163 HydrophobicContact CD1-CB 4.18Å; Y153-S164 VanDerWaalsContact O-CB 3.3Å; Y153-S164 WeakPolarHBondContact O-CB 3.34Å; Y153-S164 PolarHBondContact O-OG 3.26Å; Y153-S167 VanDerWaalsContact CB-OG 3.3Å; Y153-S167 WeakPolarHBondContact CB-OG 3.41Å; Y153-S167 WeakPolarHBondContact CD2-OG 3.35Å; Y153-S167 VanDerWaalsContact CG-OG 3.22Å
154	L	88.7	Confident	87.7	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	9.1	177.6	-61.5	-176.6	0	0	0	113.2	Y150 R151 D152 I168 L171 W211 Q214 L215 I218	Y150-L154 WeakPolarHBondContact O-CG 3.46Å; Y150-L154 PolarHBondContact O-N 2.9Å; Y150-L154 VanDerWaalsContact O-N 3.08Å; R151-L154 PolarHBondContact O-N 3.49Å; D152-L154 VanDerWaalsContact C-N 3.28Å; D152-L154 PolarHBondContact O-N 3.21Å; L154-I168 HydrophobicContact CD2-CD1 4.39Å; L154-I168 HydrophobicContact CD2-CG1 3.79Å; L154-L171 HydrophobicContact CD1-CD2 4.16Å; L154-W211 HydrophobicContact CB-CB 4.25Å; L154-W211 HydrophobicContact CD1-CE3 4.36Å; L154-W211 WeakPolarHBondContact O-CA 3.43Å; L154-Q214 HydrophobicContact CB-CB 4.42Å; L154-Q214 WeakPolarHBondContact O-CG 3.48Å; L154-L215 HydrophobicContact CD1-CD2 3.75Å; L154-L215 HydrophobicContact CD1-CG 4.38Å; L154-I218 HydrophobicContact CD1-CD1 3.57Å; L154-I218 HydrophobicContact CD2-CD1 3.46Å; L154-I218 VanDerWaalsContact CD2-CD1 3.46Å; L154-I218 HydrophobicContact CG-CD1 4.15Å
155	H	88.6	Confident	87.8	Confident	89 Å²	89	51.7 Å²	51.7	41%	0.412	25%	0.247	S	C	.	.	S	Bend	trans	-69.7	141.2	175.5	-162.1	57.8	0	0	0	111.1	R151 D152 N157 L158 I159	R151-H155 PolarHBondContact O-N 3.43Å; D152-H155 WeakPolarHBondContact O-CB 3.16Å; D152-H155 PolarHBondContact O-N 3.34Å; H155-N157 PolarHBondContact O-N 3.31Å; H155-L158 PolarHBondContact O-N 3.09Å; H155-I159 PolarHBondContact O-N 3.24Å
156	N	84.9	Confident	87.8	Confident	22 Å²	22	46.2 Å²	46.2	12%	0.118	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.7	-176.4	-68.8	-2.9	0	0	0	114	L158 N209 Q214 Q509	N156-L158 VanDerWaalsContact C-N 3.33Å; N156-N209 PolarHBondContact ND2-O 3.17Å; N156-N209 VanDerWaalsContact ND2-O 3.12Å; N156-Q214 PolarHBondContact OD1-NE2 3.08Å; N156-Q509 PolarHBondContact O-NE2 3.27Å
157	N	85.4	Confident	87.9	Confident	106 Å²	106	44.3 Å²	44.3	57%	0.567	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-18.2	178.6	-65.9	-17.4	0	0	0	113.7	H155 R540	H155-N157 PolarHBondContact O-N 3.31Å; N157-R540 VanDerWaalsContact C-NH1 3.33Å; N157-R540 VanDerWaalsContact CA-NH1 3.31Å; N157-R540 PolarHBondContact O-NH1 2.98Å
158	L	87.2	Confident	88	Confident	65 Å²	65	44.1 Å²	44.1	34%	0.34	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-9.1	-177.4	-72.2	167.8	0	0	0	113.4	D152 H155 N156 G160 T161 S164	D152-L158 WeakPolarHBondContact O-CD1 3.17Å; H155-L158 PolarHBondContact O-N 3.09Å; N156-L158 VanDerWaalsContact C-N 3.33Å; L158-G160 PolarHBondContact O-N 3.37Å; L158-T161 HydrophobicContact CD2-CG2 4.35Å; L158-T161 WeakPolarHBondContact O-CB 3.3Å; L158-T161 VanDerWaalsContact O-CG2 3.3Å; L158-T161 WeakPolarHBondContact O-CG2 3.34Å; L158-T161 PolarHBondContact O-N 2.91Å; L158-T161 VanDerWaalsContact O-N 3.15Å; L158-T161 PolarHBondContact O-OG1 3.32Å; L158-S164 VanDerWaalsContact O-CB 3.25Å; L158-S164 WeakPolarHBondContact O-CB 3.44Å
159	I	88.7	Confident	88	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	130.1	168.3	-57.5	-55.1	0	0	0	108.9	H155 S164 Q214 Q509 I511 R540	H155-I159 PolarHBondContact O-N 3.24Å; I159-S164 WeakPolarHBondContact CD1-OG 3.27Å; I159-Q214 HydrophobicContact CD1-CG 4.08Å; I159-Q214 HydrophobicContact CG1-CG 4.35Å; I159-Q509 HydrophobicContact CG2-CB 4.38Å; I159-I511 HydrophobicContact CD1-CD1 4.09Å; I159-I511 HydrophobicContact CD1-CG1 4.46Å; I159-R540 HydrophobicContact CG2-CB 4.46Å
160	G	85.1	Confident	87.9	Confident	2 Å²	2	38.8 Å²	38.8	2%	0.021	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.2	8	-169.9	0	0	0	0	0	114.1	L158 T538 I562 G563	L158-G160 PolarHBondContact O-N 3.37Å; G160-T538 WeakPolarHBondContact CA-OG1 3.21Å; G160-T538 PolarHBondContact N-OG1 2.9Å; G160-T538 VanDerWaalsContact N-OG1 3.16Å; G160-I562 CarbonylContact O-C 3.59Å; G160-I562 VanDerWaalsContact O-C 3.28Å; G160-G563 PolarHBondContact O-N 3.27Å
161	T	88.7	Confident	87.9	Confident	20 Å²	20	37.7 Å²	37.7	12%	0.123	18%	0.178	C	C	.	.	S	Bend	trans	-111.7	158	176.5	67.4	0	0	0	0	112.3	L158 K163 S164 S165 Q597	L158-T161 HydrophobicContact CD2-CG2 4.35Å; L158-T161 WeakPolarHBondContact O-CB 3.3Å; L158-T161 VanDerWaalsContact O-CG2 3.3Å; L158-T161 WeakPolarHBondContact O-CG2 3.34Å; L158-T161 PolarHBondContact O-N 2.91Å; L158-T161 VanDerWaalsContact O-N 3.15Å; L158-T161 PolarHBondContact O-OG1 3.32Å; T161-K163 VanDerWaalsContact C-N 3.34Å; T161-K163 PolarHBondContact O-N 3.42Å; T161-S164 PolarHBondContact O-N 2.95Å; T161-S164 PolarHBondContact OG1-N 3.39Å; T161-S165 PolarHBondContact O-N 2.89Å; T161-S165 VanDerWaalsContact O-N 3.11Å; T161-S165 PolarHBondContact O-OG 3.47Å; T161-Q597 VanDerWaalsContact CA-OE1 3.3Å; T161-Q597 VanDerWaalsContact CB-OE1 3.24Å
162	I	87.2	Confident	87.8	Confident	10 Å²	10	31 Å²	31	5%	0.051	15%	0.153	C	C	.	.	H	α-helix	trans	-60.6	-45.2	174	-71.8	164.4	0	0	0	110.3	Y104 S164 S165 E166 V565 A595 Q597 V628	Y104-I162 WeakPolarHBondContact OH-CG2 3.42Å; I162-S164 VanDerWaalsContact C-N 3.3Å; I162-S164 PolarHBondContact O-N 3.46Å; I162-S165 PolarHBondContact O-N 2.06Å; I162-S165 VanDerWaalsContact O-N 3.08Å; I162-E166 WeakPolarHBondContact O-CB 3.48Å; I162-E166 PolarHBondContact O-N 3.19Å; I162-V565 HydrophobicContact CG2-CG2 4.07Å; I162-A595 HydrophobicContact CB-CB 4.31Å; I162-A595 HydrophobicContact CD1-CB 3.84Å; I162-A595 HydrophobicContact CG1-CB 3.77Å; I162-A595 HydrophobicContact CG2-CB 3.56Å; I162-Q597 HydrophobicContact CD1-CB 3.6Å; I162-Q597 HydrophobicContact CG1-CB 3.69Å; I162-V628 HydrophobicContact CD1-CG2 4.27Å
163	K	87.1	Confident	87.6	Confident	95 Å²	95	27 Å²	27	41%	0.413	13%	0.131	S	C	.	.	H	α-helix	trans	-57.3	-42.9	-178.3	-67.3	-174.6	178.3	-176.3	0	112.5	Y153 T161 S167	Y153-K163 HydrophobicContact CD1-CB 4.18Å; T161-K163 VanDerWaalsContact C-N 3.34Å; T161-K163 PolarHBondContact O-N 3.42Å; K163-S167 WeakPolarHBondContact O-CB 3.42Å; K163-S167 PolarHBondContact O-N 3.38Å; K163-S167 VanDerWaalsContact O-N 3.07Å; K163-S167 PolarHBondContact O-OG 3.16Å
164	S	90	Very high	87.4	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66	-47.4	176	-168.8	0	0	0	0	110.9	Y153 L158 I159 T161 I162 E166 S167 I168	Y153-S164 VanDerWaalsContact O-CB 3.3Å; Y153-S164 WeakPolarHBondContact O-CB 3.34Å; Y153-S164 PolarHBondContact O-OG 3.26Å; L158-S164 VanDerWaalsContact O-CB 3.25Å; L158-S164 WeakPolarHBondContact O-CB 3.44Å; I159-S164 WeakPolarHBondContact CD1-OG 3.27Å; T161-S164 PolarHBondContact O-N 2.95Å; T161-S164 PolarHBondContact OG1-N 3.39Å; I162-S164 VanDerWaalsContact C-N 3.3Å; I162-S164 PolarHBondContact O-N 3.46Å; S164-E166 PolarHBondContact O-N 3.43Å; S164-S167 WeakPolarHBondContact O-CB 3.49Å; S164-S167 PolarHBondContact O-N 3.42Å; S164-I168 WeakPolarHBondContact O-CB 3.31Å; S164-I168 VanDerWaalsContact O-CD1 3.27Å; S164-I168 WeakPolarHBondContact O-CD1 3.29Å; S164-I168 WeakPolarHBondContact O-CG1 3.39Å; S164-I168 PolarHBondContact O-N 3.45Å
165	S	89.9	Confident	87.3	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.2	-43	-178.1	-53.2	0	0	0	0	112.9	T161 I162 I169 S536 T538 G563	T161-S165 PolarHBondContact O-N 2.89Å; T161-S165 VanDerWaalsContact O-N 3.11Å; T161-S165 PolarHBondContact O-OG 3.47Å; I162-S165 PolarHBondContact O-N 2.06Å; I162-S165 VanDerWaalsContact O-N 3.08Å; S165-I169 WeakPolarHBondContact O-CG1 3.39Å; S165-I169 PolarHBondContact O-N 2.85Å; S165-S536 PolarHBondContact O-OG 3.23Å; S165-T538 WeakPolarHBondContact OG-CG2 3.27Å; S165-T538 PolarHBondContact OG-OG1 3.48Å; S165-G563 PolarHBondContact OG-O 3.33Å
166	E	86.6	Confident	87.1	Confident	4 Å²	4	22 Å²	22	2%	0.019	11%	0.108	C	C	.	.	H	α-helix	trans	-68.2	-45.5	176	-174.1	-168	-167.8	0	0	111.1	Y104 I162 S164 I168 I169 H170 V565	Y104-E166 VanDerWaalsContact CE1-CD 3.49Å; Y104-E166 WeakPolarHBondContact CE1-OE1 3.47Å; Y104-E166 WeakPolarHBondContact CE1-OE2 3.46Å; Y104-E166 PolarHBondContact OH-OE2 3.39Å; I162-E166 WeakPolarHBondContact O-CB 3.48Å; I162-E166 PolarHBondContact O-N 3.19Å; S164-E166 PolarHBondContact O-N 3.43Å; E166-I168 PolarHBondContact O-N 2.94Å; E166-I169 WeakPolarHBondContact O-CB 3.04Å; E166-I169 PolarHBondContact O-N 2.87Å; E166-H170 PolarHBondContact O-CD2 3.18Å; E166-H170 PolarHBondContact O-N 3.03Å; E166-H170 IonicContact OE1-NE2 3.01Å; E166-V565 HydrophobicContact CB-CG2 4.23Å
167	S	87.6	Confident	86.9	Confident	4 Å²	4	21.6 Å²	21.6	3%	0.028	11%	0.107	C	C	.	.	H	α-helix	trans	-55.4	-40.7	175.5	-70.5	0	0	0	0	112.4	Y153 K163 S164 H170 L171	Y153-S167 VanDerWaalsContact CB-OG 3.3Å; Y153-S167 WeakPolarHBondContact CB-OG 3.41Å; Y153-S167 WeakPolarHBondContact CD2-OG 3.35Å; Y153-S167 VanDerWaalsContact CG-OG 3.22Å; K163-S167 WeakPolarHBondContact O-CB 3.42Å; K163-S167 PolarHBondContact O-N 3.38Å; K163-S167 VanDerWaalsContact O-N 3.07Å; K163-S167 PolarHBondContact O-OG 3.16Å; S164-S167 WeakPolarHBondContact O-CB 3.49Å; S164-S167 PolarHBondContact O-N 3.42Å; S167-H170 PolarHBondContact O-N 2.92Å; S167-L171 WeakPolarHBondContact O-CB 3.38Å; S167-L171 PolarHBondContact O-N 2.91Å
168	I	90.2	Very high	86.8	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62	-46.9	175.2	-72.8	157.5	0	0	0	110.9	L154 S164 E166 H170 L171 I172 I218 I511 T538	L154-I168 HydrophobicContact CD2-CD1 4.39Å; L154-I168 HydrophobicContact CD2-CG1 3.79Å; S164-I168 WeakPolarHBondContact O-CB 3.31Å; S164-I168 VanDerWaalsContact O-CD1 3.27Å; S164-I168 WeakPolarHBondContact O-CD1 3.29Å; S164-I168 WeakPolarHBondContact O-CG1 3.39Å; S164-I168 PolarHBondContact O-N 3.45Å; E166-I168 PolarHBondContact O-N 2.94Å; I168-H170 VanDerWaalsContact C-N 3.35Å; I168-H170 PolarHBondContact O-N 3.43Å; I168-L171 PolarHBondContact O-N 3.36Å; I168-I172 HydrophobicContact CG2-CD1 3.66Å; I168-I172 HydrophobicContact CG2-CG1 4.4Å; I168-I172 WeakPolarHBondContact O-CB 3.34Å; I168-I172 VanDerWaalsContact O-CG1 3.25Å; I168-I172 WeakPolarHBondContact O-CG1 3.33Å; I168-I172 PolarHBondContact O-N 3.29Å; I168-I218 HydrophobicContact CG1-CD1 4Å; I168-I218 HydrophobicContact CG1-CG1 4.22Å; I168-I218 HydrophobicContact CG2-CG1 4.31Å; I168-I511 HydrophobicContact CD1-CB 4.44Å; I168-I511 HydrophobicContact CD1-CD1 3.56Å; I168-I511 HydrophobicContact CD1-CG1 3.8Å; I168-I511 HydrophobicContact CD1-CG2 3.78Å; I168-I511 HydrophobicContact CG1-CD1 4.31Å; I168-I511 HydrophobicContact CG1-CG2 4.44Å; I168-I511 HydrophobicContact CG2-CG2 3.76Å; I168-T538 HydrophobicContact CD1-CG2 3.56Å
169	I	87.8	Confident	86.6	Confident	1 Å²	1	16 Å²	16	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-59.2	-46.9	177.8	-68.5	175.1	0	0	0	110.7	S165 E166 I172 N173 L513 I534 S536 V565 D567	S165-I169 WeakPolarHBondContact O-CG1 3.39Å; S165-I169 PolarHBondContact O-N 2.85Å; E166-I169 WeakPolarHBondContact O-CB 3.04Å; E166-I169 PolarHBondContact O-N 2.87Å; I169-I172 PolarHBondContact O-N 3.33Å; I169-N173 WeakPolarHBondContact CG2-ND2 3.26Å; I169-N173 WeakPolarHBondContact O-CB 3.11Å; I169-N173 PolarHBondContact O-N 3.32Å; I169-N173 PolarHBondContact O-ND2 3.46Å; I169-L513 HydrophobicContact CG1-CD2 4.5Å; I169-I534 HydrophobicContact CD1-CG2 4.33Å; I169-I534 HydrophobicContact CG1-CG2 4.11Å; I169-I534 HydrophobicContact CG2-CG2 4.12Å; I169-S536 VanDerWaalsContact CG1-CB 3.42Å; I169-V565 HydrophobicContact CD1-CB 3.87Å; I169-V565 HydrophobicContact CD1-CG1 3.49Å; I169-V565 VanDerWaalsContact CD1-CG1 3.49Å; I169-D567 HydrophobicContact CD1-CB 4.28Å
170	H	85.5	Confident	86.3	Confident	33 Å²	33	20.8 Å²	20.8	15%	0.153	11%	0.106	C	C	.	.	H	α-helix	trans	-62	-47	179.5	-72.7	-66.6	0	0	0	112.1	Y150 E166 S167 I168 I172 N173 Q174	Y150-H170 HydrophobicContact CE1-CB 4.39Å; E166-H170 PolarHBondContact O-CD2 3.18Å; E166-H170 PolarHBondContact O-N 3.03Å; E166-H170 IonicContact OE1-NE2 3.01Å; S167-H170 PolarHBondContact O-N 2.92Å; I168-H170 VanDerWaalsContact C-N 3.35Å; I168-H170 PolarHBondContact O-N 3.43Å; H170-I172 VanDerWaalsContact C-N 3.35Å; H170-I172 PolarHBondContact O-N 3.47Å; H170-N173 PolarHBondContact O-N 2.88Å; H170-Q174 WeakPolarHBondContact O-CG 3.18Å; H170-Q174 PolarHBondContact O-N 3.26Å; H170-Q174 VanDerWaalsContact O-N 3.1Å
171	L	89.2	Confident	86.3	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63	-42.2	179.3	-177.2	57.3	0	0	0	111.3	Y146 I147 Y150 L154 S167 I168 Q174 L175 L215 I218	Y146-L171 HydrophobicContact CD1-CD1 4.32Å; Y146-L171 HydrophobicContact CE1-CD1 3.79Å; I147-L171 HydrophobicContact CG1-CD1 4.42Å; Y150-L171 HydrophobicContact CD2-CB 4.41Å; Y150-L171 HydrophobicContact CD2-CD1 3.99Å; Y150-L171 HydrophobicContact CD2-CD2 4.4Å; Y150-L171 HydrophobicContact CE2-CB 4.44Å; Y150-L171 HydrophobicContact CE2-CD1 4.17Å; Y150-L171 HydrophobicContact CG-CD2 4.4Å; L154-L171 HydrophobicContact CD1-CD2 4.16Å; S167-L171 WeakPolarHBondContact O-CB 3.38Å; S167-L171 PolarHBondContact O-N 2.91Å; I168-L171 PolarHBondContact O-N 3.36Å; L171-Q174 PolarHBondContact O-N 2.05Å; L171-L175 HydrophobicContact CD1-CD1 4.14Å; L171-L175 HydrophobicContact CD1-CG 4.12Å; L171-L175 HydrophobicContact CG-CD1 3.95Å; L171-L175 HydrophobicContact CG-CG 4.36Å; L171-L175 WeakPolarHBondContact O-CB 3.29Å; L171-L175 VanDerWaalsContact O-CG 3.24Å; L171-L175 WeakPolarHBondContact O-CG 3.49Å; L171-L175 PolarHBondContact O-N 3.47Å; L171-L215 HydrophobicContact CD2-CD2 4.06Å; L171-I218 HydrophobicContact CD2-CD1 4.04Å; L171-I218 HydrophobicContact CD2-CG2 4.05Å; L171-I218 HydrophobicContact CG-CG2 4.19Å
172	I	88.6	Confident	86.1	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.7	-47.8	176.7	-74.2	174.3	0	0	0	111.4	I168 I169 H170 Q174 L175 R176 I218 N221 L513	I168-I172 HydrophobicContact CG2-CD1 3.66Å; I168-I172 HydrophobicContact CG2-CG1 4.4Å; I168-I172 WeakPolarHBondContact O-CB 3.34Å; I168-I172 VanDerWaalsContact O-CG1 3.25Å; I168-I172 WeakPolarHBondContact O-CG1 3.33Å; I168-I172 PolarHBondContact O-N 3.29Å; I169-I172 PolarHBondContact O-N 3.33Å; H170-I172 VanDerWaalsContact C-N 3.35Å; H170-I172 PolarHBondContact O-N 3.47Å; I172-Q174 VanDerWaalsContact C-N 3.26Å; I172-Q174 PolarHBondContact O-N 3.35Å; I172-L175 PolarHBondContact O-N 3.12Å; I172-R176 HydrophobicContact CG2-CG 4.38Å; I172-R176 WeakPolarHBondContact O-CB 3.33Å; I172-R176 VanDerWaalsContact O-CG 3.28Å; I172-R176 WeakPolarHBondContact O-CG 3.38Å; I172-R176 PolarHBondContact O-N 2.88Å; I172-I218 HydrophobicContact CG1-CG2 3.81Å; I172-N221 HydrophobicContact CD1-CB 3.78Å; I172-L513 HydrophobicContact CD1-CD1 3.32Å; I172-L513 HydrophobicContact CD1-CD2 4.36Å; I172-L513 HydrophobicContact CD1-CG 4.45Å
173	N	84.2	Confident	86	Confident	31 Å²	31	32.2 Å²	32.2	17%	0.166	17%	0.165	C	C	.	.	H	α-helix	trans	-57.8	-42.4	179.3	-77.8	-28.5	0	0	0	111.6	I169 H170 R176 C177 I534	I169-N173 WeakPolarHBondContact CG2-ND2 3.26Å; I169-N173 WeakPolarHBondContact O-CB 3.11Å; I169-N173 PolarHBondContact O-N 3.32Å; I169-N173 PolarHBondContact O-ND2 3.46Å; H170-N173 PolarHBondContact O-N 2.88Å; N173-R176 PolarHBondContact O-N 3.41Å; N173-C177 PolarHBondContact O-SG 3.5Å; N173-I534 WeakPolarHBondContact OD1-CD1 3.38Å
174	Q	84	Confident	85.9	Confident	7 Å²	7	27.7 Å²	27.7	3%	0.033	15%	0.146	C	C	.	.	H	α-helix	trans	-71.4	-43	178.9	-65.3	-70.9	-25.2	0	0	111.6	N110 S113 L114 Y146 H170 L171 I172 R176 C177	N110-Q174 PolarHBondContact O-NE2 3.29Å; S113-Q174 VanDerWaalsContact OG-CD 3.3Å; S113-Q174 PolarHBondContact OG-NE2 2.85Å; S113-Q174 PolarHBondContact OG-OE1 3.47Å; L114-Q174 HydrophobicContact CD1-CB 3.63Å; L114-Q174 WeakPolarHBondContact CD1-O 3.33Å; L114-Q174 HydrophobicContact CG-CB 4.1Å; Y146-Q174 HydrophobicContact CE1-CB 3.92Å; Y146-Q174 HydrophobicContact CE1-CG 4.34Å; Y146-Q174 VanDerWaalsContact OH-CG 3.25Å; Y146-Q174 WeakPolarHBondContact OH-CG 3.41Å; H170-Q174 WeakPolarHBondContact O-CG 3.18Å; H170-Q174 PolarHBondContact O-N 3.26Å; H170-Q174 VanDerWaalsContact O-N 3.1Å; L171-Q174 PolarHBondContact O-N 2.05Å; I172-Q174 VanDerWaalsContact C-N 3.26Å; I172-Q174 PolarHBondContact O-N 3.35Å; Q174-R176 PolarHBondContact O-N 3.17Å; Q174-C177 WeakPolarHBondContact O-CB 3.38Å; Q174-C177 PolarHBondContact O-N 2.96Å
175	L	87.1	Confident	85.7	Confident	4 Å²	4	28.7 Å²	28.7	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-31.5	176.3	-71.5	174.8	0	0	0	112.8	L171 I172 C177 L178 L188 I218 L219	L171-L175 HydrophobicContact CD1-CD1 4.14Å; L171-L175 HydrophobicContact CD1-CG 4.12Å; L171-L175 HydrophobicContact CG-CD1 3.95Å; L171-L175 HydrophobicContact CG-CG 4.36Å; L171-L175 WeakPolarHBondContact O-CB 3.29Å; L171-L175 VanDerWaalsContact O-CG 3.24Å; L171-L175 WeakPolarHBondContact O-CG 3.49Å; L171-L175 PolarHBondContact O-N 3.47Å; I172-L175 PolarHBondContact O-N 3.12Å; L175-C177 PolarHBondContact O-N 3.37Å; L175-L178 HydrophobicContact CD2-CD1 3.98Å; L175-L178 WeakPolarHBondContact O-CB 3.18Å; L175-L178 WeakPolarHBondContact O-CG 3.41Å; L175-L178 PolarHBondContact O-N 2.88Å; L175-L188 HydrophobicContact CD2-CD1 3.68Å; L175-L188 HydrophobicContact CD2-CD2 4.42Å; L175-I218 HydrophobicContact CD1-CG2 4.02Å; L175-L219 HydrophobicContact CD1-CD2 4.09Å
176	R	84.5	Confident	85.6	Confident	58 Å²	58	31.8 Å²	31.8	22%	0.219	17%	0.17	C	C	.	.	H	α-helix	trans	-66.5	-21.5	174.6	-77.3	173.1	177.6	-178.7	3	113.9	I172 N173 Q174 L178 N221 C222 T224 D516	I172-R176 HydrophobicContact CG2-CG 4.38Å; I172-R176 WeakPolarHBondContact O-CB 3.33Å; I172-R176 VanDerWaalsContact O-CG 3.28Å; I172-R176 WeakPolarHBondContact O-CG 3.38Å; I172-R176 PolarHBondContact O-N 2.88Å; N173-R176 PolarHBondContact O-N 3.41Å; Q174-R176 PolarHBondContact O-N 3.17Å; R176-L178 VanDerWaalsContact C-N 3.25Å; R176-L178 PolarHBondContact O-N 2.9Å; R176-N221 PolarHBondContact NH2-O 2.99Å; R176-C222 PolarHBondContact NE-O 2.62Å; R176-T224 HydrophobicContact CB-CG2 4.26Å; R176-T224 HydrophobicContact CG-CG2 3.94Å; R176-D516 IonicContact CZ-OD1 3.97Å; R176-D516 IonicContact CZ-OD2 3.01Å; R176-D516 VanDerWaalsContact CZ-OD2 3.28Å; R176-D516 VanDerWaalsContact NH1-CG 3.33Å; R176-D516 IonicContact NH1-OD1 3.86Å; R176-D516 PolarHBondContact NH1-OD1 3.47Å; R176-D516 IonicContact NH1-OD2 2.74Å; R176-D516 PolarHBondContact NH1-OD2 3.48Å; R176-D516 VanDerWaalsContact NH2-CG 3.29Å; R176-D516 IonicContact NH2-OD1 2.96Å; R176-D516 PolarHBondContact NH2-OD1 3.49Å; R176-D516 IonicContact NH2-OD2 2.65Å; R176-D516 PolarHBondContact NH2-OD2 2.81Å
177	C	81.4	Confident	85.6	Confident	14 Å²	14	31.9 Å²	31.9	10%	0.095	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-9.1	176.9	-58.5	0	0	0	0	113.2	S111 C112 N115 N173 Q174 L175	S111-C177 PolarHBondContact O-SG 3.36Å; C112-C177 WeakPolarHBondContact CA-SG 3.5Å; C112-C177 HydrophobicContact CB-CB 3.65Å; C112-C177 WeakPolarHBondContact CB-SG 3.41Å; C112-C177 WeakPolarHBondContact SG-CB 3.24Å; C112-C177 CovalentContact SG-SG 2.04Å; C112-C177 PolarHBondContact SG-SG 3.12Å; N115-C177 HydrophobicContact CB-CB 4.37Å; N115-C177 PolarHBondContact ND2-O 3.49Å; N115-C177 PolarHBondContact OD1-O 2.91Å; N173-C177 PolarHBondContact O-SG 3.5Å; Q174-C177 WeakPolarHBondContact O-CB 3.38Å; Q174-C177 PolarHBondContact O-N 2.96Å; L175-C177 PolarHBondContact O-N 3.37Å
178	L	83.2	Confident	85.6	Confident	8 Å²	8	31.7 Å²	31.7	4%	0.042	17%	0.169	C	C	.	.	S	Bend	trans	-68.7	130.9	175.8	-65	173.8	0	0	0	110.1	F119 L175 R176 L188	F119-L178 HydrophobicContact CE2-CD2 3.98Å; F119-L178 HydrophobicContact CZ-CD2 4.13Å; L175-L178 HydrophobicContact CD2-CD1 3.98Å; L175-L178 WeakPolarHBondContact O-CB 3.18Å; L175-L178 WeakPolarHBondContact O-CG 3.41Å; L175-L178 PolarHBondContact O-N 2.88Å; R176-L178 VanDerWaalsContact C-N 3.25Å; R176-L178 PolarHBondContact O-N 2.9Å; L178-L188 HydrophobicContact CD1-CB 4.32Å; L178-L188 HydrophobicContact CD1-CD1 4.17Å; L178-L188 HydrophobicContact CD1-CD2 3.87Å; L178-L188 HydrophobicContact CD1-CG 4.36Å
179	P	81.9	Confident	85.6	Confident	44 Å²	44	32.1 Å²	32.1	29%	0.286	17%	0.172	S	C	.	.			trans	-69.1	155.5	-179.4	25.8	-28.5	0	0	0	111.4	F119 T181 S184 T226	F119-P179 HydrophobicContact CD1-CG 4.41Å; F119-P179 HydrophobicContact CD2-CG 4.4Å; F119-P179 HydrophobicContact CE1-CG 4.03Å; F119-P179 HydrophobicContact CE2-CG 4.02Å; F119-P179 VanDerWaalsContact CZ-CD 3.45Å; F119-P179 HydrophobicContact CZ-CG 3.82Å; P179-T181 HydrophobicContact CB-CG2 4.21Å; P179-T181 PolarHBondContact O-N 2.88Å; P179-S184 WeakPolarHBondContact CD-OG 3.12Å; P179-S184 WeakPolarHBondContact CG-OG 3.41Å; P179-S184 WeakPolarHBondContact O-CB 3.33Å; P179-S184 PolarHBondContact O-OG 2.86Å; P179-T226 PolarHBondContact O-OG1 2.77Å
180	D	82.2	Confident	85.5	Confident	102 Å²	102	32.7 Å²	32.7	55%	0.545	18%	0.176	S	C	.	.	S	Bend	trans	-80.8	67.6	177.5	-167.3	17.9	0	0	0	110.4	N225 T226	D180-N225 PolarHBondContact OD1-ND2 3.24Å; D180-N225 WeakPolarHBondContact OD2-CB 3.38Å; D180-N225 PolarHBondContact OD2-ND2 2.86Å; D180-N225 VanDerWaalsContact OD2-ND2 3.08Å; D180-T226 WeakPolarHBondContact CA-OG1 3.35Å
181	T	84.8	Confident	85.6	Confident	62 Å²	62	31.4 Å²	31.4	38%	0.38	17%	0.171	S	C	.	.	S	Bend	trans	-123.5	150	177.6	72	0	0	0	0	110.7	P179 H183 S184 I185	P179-T181 HydrophobicContact CB-CG2 4.21Å; P179-T181 PolarHBondContact O-N 2.88Å; T181-H183 PolarHBondContact O-N 3.37Å; T181-S184 PolarHBondContact O-N 2.74Å; T181-S184 VanDerWaalsContact O-N 3.07Å; T181-S184 PolarHBondContact OG1-N 3.09Å; T181-S184 VanDerWaalsContact OG1-N 3.13Å; T181-S184 PolarHBondContact OG1-OG 2.98Å; T181-I185 WeakPolarHBondContact O-CG1 3.41Å; T181-I185 PolarHBondContact O-N 3.01Å
182	N	85.1	Confident	85.6	Confident	135 Å²	135	31.6 Å²	31.6	72%	0.722	17%	0.173	S	C	*	.	H	α-helix	trans	-55.6	-35.2	173.5	-75.6	-16.6	0	0	0	111.8	I185 T186	N182-I185 PolarHBondContact O-N 2.83Å; N182-T186 WeakPolarHBondContact O-CG2 3.38Å; N182-T186 PolarHBondContact O-N 3.29Å; N182-T186 PolarHBondContact O-OG1 3.05Å
183	H	84.9	Confident	85.6	Confident	75 Å²	75	34.3 Å²	34.3	35%	0.347	19%	0.186	S	C	.	.	H	α-helix	trans	-61.2	-49.2	175.7	179.1	69.8	0	0	0	111.3	N136 T181 I185 T186 L187	N136-H183 PolarHBondContact OD1-CE1 2.6Å; T181-H183 PolarHBondContact O-N 3.37Å; H183-I185 VanDerWaalsContact C-N 3.3Å; H183-I185 PolarHBondContact O-N 3.47Å; H183-T186 WeakPolarHBondContact CA-OG1 3.36Å; H183-T186 PolarHBondContact O-N 3.46Å; H183-T186 VanDerWaalsContact O-N 3.13Å; H183-T186 PolarHBondContact O-OG1 2.83Å; H183-L187 WeakPolarHBondContact O-CB 3.22Å; H183-L187 PolarHBondContact O-N 3.29Å
184	S	85.3	Confident	85.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-36.6	175.9	-53.1	0	0	0	0	112.9	P179 T181 L188	P179-S184 WeakPolarHBondContact CD-OG 3.12Å; P179-S184 WeakPolarHBondContact CG-OG 3.41Å; P179-S184 WeakPolarHBondContact O-CB 3.33Å; P179-S184 PolarHBondContact O-OG 2.86Å; T181-S184 PolarHBondContact O-N 2.74Å; T181-S184 VanDerWaalsContact O-N 3.07Å; T181-S184 PolarHBondContact OG1-N 3.09Å; T181-S184 VanDerWaalsContact OG1-N 3.13Å; T181-S184 PolarHBondContact OG1-OG 2.98Å; S184-L188 VanDerWaalsContact O-CB 3.27Å; S184-L188 WeakPolarHBondContact O-CB 3.34Å; S184-L188 PolarHBondContact O-N 2.88Å
185	I	85.8	Confident	85.9	Confident	20 Å²	20	32.6 Å²	32.6	10%	0.103	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-46.3	174	-64	167.9	0	0	0	110.4	T181 N182 H183 S189 T226 T229 I230	T181-I185 WeakPolarHBondContact O-CG1 3.41Å; T181-I185 PolarHBondContact O-N 3.01Å; N182-I185 PolarHBondContact O-N 2.83Å; H183-I185 VanDerWaalsContact C-N 3.3Å; H183-I185 PolarHBondContact O-N 3.47Å; I185-S189 WeakPolarHBondContact O-CB 3.44Å; I185-S189 PolarHBondContact O-N 3.06Å; I185-T226 HydrophobicContact CG1-CG2 3.78Å; I185-T229 HydrophobicContact CD1-CG2 4.23Å; I185-T229 HydrophobicContact CG2-CG2 4.36Å; I185-I230 HydrophobicContact CG2-CG1 4.16Å
186	T	86.8	Confident	85.6	Confident	65 Å²	65	34.2 Å²	34.2	40%	0.399	19%	0.188	S	C	.	.	H	α-helix	trans	-66.7	-40.3	178.3	55.6	0	0	0	0	112.7	N182 H183 S189 S190	N182-T186 WeakPolarHBondContact O-CG2 3.38Å; N182-T186 PolarHBondContact O-N 3.29Å; N182-T186 PolarHBondContact O-OG1 3.05Å; H183-T186 WeakPolarHBondContact CA-OG1 3.36Å; H183-T186 PolarHBondContact O-N 3.46Å; H183-T186 VanDerWaalsContact O-N 3.13Å; H183-T186 PolarHBondContact O-OG1 2.83Å; T186-S189 PolarHBondContact O-N 3.36Å; T186-S190 WeakPolarHBondContact O-CB 3.5Å; T186-S190 PolarHBondContact O-N 2.78Å; T186-S190 PolarHBondContact O-OG 3.14Å
187	L	86.9	Confident	85.4	Confident	7 Å²	7	37 Å²	37	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-46.6	177.2	-169.9	95.2	0	0	0	110.9	Q139 L140 L143 H183 S190 A191	Q139-L187 HydrophobicContact CB-CD1 3.93Å; L140-L187 HydrophobicContact CB-CD1 4.26Å; L143-L187 HydrophobicContact CD2-CD2 3.58Å; L143-L187 HydrophobicContact CD2-CG 4Å; H183-L187 WeakPolarHBondContact O-CB 3.22Å; H183-L187 PolarHBondContact O-N 3.29Å; L187-S190 WeakPolarHBondContact CA-OG 3.42Å; L187-S190 PolarHBondContact O-N 2.94Å; L187-S190 PolarHBondContact O-OG 3.33Å; L187-A191 VanDerWaalsContact O-CB 3.26Å; L187-A191 WeakPolarHBondContact O-CB 3.37Å; L187-A191 PolarHBondContact O-N 2.9Å
188	L	88.8	Confident	85.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-70.7	-37.7	178.8	-178	62.8	0	0	0	111.9	L143 I147 L175 L178 S184 A191 T192 L219 T226 I230	L143-L188 HydrophobicContact CD2-CD1 4.22Å; I147-L188 HydrophobicContact CD1-CD1 3.92Å; L175-L188 HydrophobicContact CD2-CD1 3.68Å; L175-L188 HydrophobicContact CD2-CD2 4.42Å; L178-L188 HydrophobicContact CD1-CB 4.32Å; L178-L188 HydrophobicContact CD1-CD1 4.17Å; L178-L188 HydrophobicContact CD1-CD2 3.87Å; L178-L188 HydrophobicContact CD1-CG 4.36Å; S184-L188 VanDerWaalsContact O-CB 3.27Å; S184-L188 WeakPolarHBondContact O-CB 3.34Å; S184-L188 PolarHBondContact O-N 2.88Å; L188-A191 PolarHBondContact O-N 2.94Å; L188-T192 HydrophobicContact CD1-CG2 3.72Å; L188-T192 HydrophobicContact CG-CG2 4.24Å; L188-T192 WeakPolarHBondContact O-CB 3.41Å; L188-T192 WeakPolarHBondContact O-CG2 3.4Å; L188-T192 PolarHBondContact O-N 3.44Å; L188-T192 PolarHBondContact O-OG1 3.31Å; L188-L219 HydrophobicContact CD2-CD2 4.04Å; L188-T226 HydrophobicContact CD2-CG2 4.31Å; L188-I230 HydrophobicContact CB-CD1 3.66Å; L188-I230 HydrophobicContact CD2-CD1 3.47Å; L188-I230 VanDerWaalsContact CD2-CD1 3.47Å; L188-I230 HydrophobicContact CG-CD1 3.43Å; L188-I230 VanDerWaalsContact CG-CD1 3.43Å
189	S	88.8	Confident	85.6	Confident	8 Å²	8	41.8 Å²	41.8	6%	0.056	23%	0.231	C	C	.	.	H	α-helix	trans	-63.2	-42.4	175.2	-179.4	0	0	0	0	111.8	I185 T186 T192 M193 T195 Y198	I185-S189 WeakPolarHBondContact O-CB 3.44Å; I185-S189 PolarHBondContact O-N 3.06Å; T186-S189 PolarHBondContact O-N 3.36Å; S189-T192 PolarHBondContact O-OG1 2.85Å; S189-M193 WeakPolarHBondContact O-CA 3.18Å; S189-M193 PolarHBondContact O-N 3.44Å; S189-T195 PolarHBondContact OG-OG1 3.48Å; S189-Y198 WeakPolarHBondContact OG-CD2 3.3Å; S189-Y198 WeakPolarHBondContact OG-CE2 3.02Å
190	S	87.1	Confident	85.7	Confident	13 Å²	13	43.9 Å²	43.9	9%	0.091	24%	0.24	C	C	.	.	H	α-helix	trans	-69.3	-40.2	174.7	53.8	0	0	0	0	113.1	L140 T186 L187 M193 Y198	L140-S190 WeakPolarHBondContact CD1-OG 3.48Å; T186-S190 WeakPolarHBondContact O-CB 3.5Å; T186-S190 PolarHBondContact O-N 2.78Å; T186-S190 PolarHBondContact O-OG 3.14Å; L187-S190 WeakPolarHBondContact CA-OG 3.42Å; L187-S190 PolarHBondContact O-N 2.94Å; L187-S190 PolarHBondContact O-OG 3.33Å; S190-M193 VanDerWaalsContact O-CG 3.27Å; S190-M193 WeakPolarHBondContact O-CG 3Å; S190-Y198 VanDerWaalsContact CB-CE1 3.44Å
191	A	87.4	Confident	85.6	Confident	7 Å²	7	40.8 Å²	40.8	6%	0.058	22%	0.223	C	C	.	.	H	α-helix	trans	-66.1	-39.8	178.1	0	0	0	0	0	112.2	L140 L143 R144 I147 L187 L188	L140-A191 HydrophobicContact CD1-CB 3.87Å; L143-A191 HydrophobicContact CB-CB 4.33Å; L143-A191 HydrophobicContact CD2-CB 3.75Å; L143-A191 HydrophobicContact CG-CB 3.86Å; R144-A191 HydrophobicContact CB-CB 4.31Å; I147-A191 HydrophobicContact CD1-CB 4.17Å; L187-A191 VanDerWaalsContact O-CB 3.26Å; L187-A191 WeakPolarHBondContact O-CB 3.37Å; L187-A191 PolarHBondContact O-N 2.9Å; L188-A191 PolarHBondContact O-N 2.94Å
192	T	89.3	Confident	85.4	Confident	4 Å²	4	42.8 Å²	42.8	3%	0.025	23%	0.228	C	C	.	.	H	α-helix	trans	-83.9	-29	-177.6	61.3	0	0	0	0	112.8	I147 L188 S189 L194 K212	I147-T192 HydrophobicContact CD1-CG2 3.85Å; L188-T192 HydrophobicContact CD1-CG2 3.72Å; L188-T192 HydrophobicContact CG-CG2 4.24Å; L188-T192 WeakPolarHBondContact O-CB 3.41Å; L188-T192 WeakPolarHBondContact O-CG2 3.4Å; L188-T192 PolarHBondContact O-N 3.44Å; L188-T192 PolarHBondContact O-OG1 3.31Å; S189-T192 PolarHBondContact O-OG1 2.85Å; T192-L194 VanDerWaalsContact C-N 3.28Å; T192-L194 HydrophobicContact CG2-CD1 4.3Å; T192-L194 PolarHBondContact O-N 3.49Å; T192-K212 PolarHBondContact O-NZ 3.2Å
193	M	88.5	Confident	85.5	Confident	56 Å²	56	39.4 Å²	39.4	28%	0.276	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	42.6	-174.3	-53.9	175.8	158.6	0	0	112.5	S189 S190 I199 Q207	S189-M193 WeakPolarHBondContact O-CA 3.18Å; S189-M193 PolarHBondContact O-N 3.44Å; S190-M193 VanDerWaalsContact O-CG 3.27Å; S190-M193 WeakPolarHBondContact O-CG 3Å; M193-I199 WeakPolarHBondContact O-CG2 3.39Å; M193-Q207 PolarHBondContact O-NE2 2.94Å
194	L	87.5	Confident	85.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.			trans	-93.9	-17.2	-178.5	-61.4	172.3	0	0	0	113	T192 L204 K212 L215 L219 R234	T192-L194 VanDerWaalsContact C-N 3.28Å; T192-L194 HydrophobicContact CG2-CD1 4.3Å; T192-L194 PolarHBondContact O-N 3.49Å; L194-L204 WeakPolarHBondContact O-CD2 3.45Å; L194-K212 HydrophobicContact CD2-CB 4.16Å; L194-K212 HydrophobicContact CD2-CD 4.39Å; L194-L215 HydrophobicContact CD1-CB 4.43Å; L194-L219 HydrophobicContact CD1-CD1 3.37Å; L194-R234 WeakPolarHBondContact O-CD 3.37Å; L194-R234 WeakPolarHBondContact O-CG 3.25Å; L194-R234 PolarHBondContact O-NE 2.69Å
195	T	85.7	Confident	85.5	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.018	20%	0.199	C	C	.	.	S	Bend	trans	-130.5	146.9	-177.6	54.6	0	0	0	0	111.4	S189 Y198 I230 N233 R234	S189-T195 PolarHBondContact OG-OG1 3.48Å; T195-Y198 PolarHBondContact O-N 3.33Å; T195-I230 HydrophobicContact CG2-CG2 4.18Å; T195-I230 WeakPolarHBondContact CG2-O 3.3Å; T195-N233 HydrophobicContact CG2-CB 4.17Å; T195-R234 HydrophobicContact CG2-CB 3.51Å; T195-R234 HydrophobicContact CG2-CG 4.2Å
196	P	81.3	Confident	85.5	Confident	37 Å²	37	44 Å²	44	24%	0.24	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	148.2	161.7	-23.2	34	0	0	0	111	I199 I201 E237	P196-I199 WeakPolarHBondContact CA-O 3.23Å; P196-I201 HydrophobicContact CG-CB 4.38Å; P196-I201 HydrophobicContact CG-CD1 3.97Å; P196-E237 HydrophobicContact CG-CB 4.3Å; P196-E237 HydrophobicContact CG-CG 4.3Å
197	P	81.5	Confident	85.6	Confident	116 Å²	116	41.5 Å²	41.5	75%	0.753	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	cis	-84.8	-3.7	7.2	35	-36.5	0	0	0	114.7	I199	P197-I199 PolarHBondContact O-N 3.48Å
198	Y	84.5	Confident	85.4	Confident	97 Å²	97	42.8 Å²	42.8	38%	0.38	21%	0.211	S	C	.	.	S	Bend	trans	-73	-14.9	-173.3	-55.2	-70.3	0	0	0	114.1	S189 S190 T195	S189-Y198 WeakPolarHBondContact OG-CD2 3.3Å; S189-Y198 WeakPolarHBondContact OG-CE2 3.02Å; S190-Y198 VanDerWaalsContact CB-CE1 3.44Å; T195-Y198 PolarHBondContact O-N 3.33Å
199	I	83.7	Confident	85.1	Confident	27 Å²	27	47.6 Å²	47.6	14%	0.138	24%	0.237	C	C	.	.	S	Bend	trans	-136.3	139.6	167.3	-174.6	165.5	0	0	0	108.8	M193 P196 P197 I201 L203 L204 Q207	M193-I199 WeakPolarHBondContact O-CG2 3.39Å; P196-I199 WeakPolarHBondContact CA-O 3.23Å; P197-I199 PolarHBondContact O-N 3.48Å; I199-I201 PolarHBondContact O-N 2.76Å; I199-L203 HydrophobicContact CD1-CB 4.25Å; I199-L203 HydrophobicContact CG1-CB 4.1Å; I199-L204 HydrophobicContact CD1-CD2 4.37Å; I199-L204 HydrophobicContact CG2-CD2 3.48Å; I199-L204 VanDerWaalsContact CG2-CD2 3.48Å; I199-L204 HydrophobicContact CG2-CG 4.21Å; I199-Q207 HydrophobicContact CD1-CG 4.19Å
200	D	83.6	Confident	85.1	Confident	88 Å²	88	49.2 Å²	49.2	47%	0.471	25%	0.247	S	C	.	.			trans	-61.3	133.3	170.8	-167.5	-26	0	0	0	109.5	Q202 L203 L204	D200-Q202 PolarHBondContact O-N 3Å; D200-Q202 VanDerWaalsContact O-N 3.17Å; D200-Q202 PolarHBondContact OD1-N 2.84Å; D200-L203 HydrophobicContact CB-CB 4.39Å; D200-L203 HydrophobicContact CB-CD1 4.04Å; D200-L203 HydrophobicContact CB-CG 4.09Å; D200-L203 WeakPolarHBondContact O-CA 3.17Å; D200-L203 PolarHBondContact O-N 3.48Å; D200-L204 PolarHBondContact O-N 3.43Å
201	I	80.5	Confident	85.2	Confident	37 Å²	37	50 Å²	50	19%	0.19	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-53.1	-37	176.9	-166.1	85	0	0	0	111.1	P196 I199 L203 L204 E237 F241	P196-I201 HydrophobicContact CG-CB 4.38Å; P196-I201 HydrophobicContact CG-CD1 3.97Å; I199-I201 PolarHBondContact O-N 2.76Å; I201-L203 PolarHBondContact O-N 3.31Å; I201-L204 HydrophobicContact CD1-CD1 3.48Å; I201-L204 VanDerWaalsContact CD1-CD1 3.48Å; I201-L204 HydrophobicContact CG1-CD1 4.16Å; I201-L204 WeakPolarHBondContact O-CB 3.3Å; I201-L204 PolarHBondContact O-N 3.29Å; I201-E237 HydrophobicContact CD1-CB 3.81Å; I201-E237 WeakPolarHBondContact CD1-O 2.89Å; I201-F241 HydrophobicContact CB-CD2 4.49Å; I201-F241 HydrophobicContact CD1-CB 4.08Å; I201-F241 HydrophobicContact CG1-CB 3.7Å; I201-F241 HydrophobicContact CG1-CD2 3.71Å; I201-F241 HydrophobicContact CG1-CG 3.76Å; I201-F241 HydrophobicContact CG2-CD2 3.95Å; I201-F241 HydrophobicContact CG2-CE2 4.27Å
202	Q	81.2	Confident	85.3	Confident	103 Å²	103	51.3 Å²	51.3	48%	0.481	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-67.9	-16.4	179	-63.9	-176.4	-6.7	0	0	112.8	D200 Y205 F241	D200-Q202 PolarHBondContact O-N 3Å; D200-Q202 VanDerWaalsContact O-N 3.17Å; D200-Q202 PolarHBondContact OD1-N 2.84Å; Q202-Y205 WeakPolarHBondContact O-CD1 3.48Å; Q202-Y205 WeakPolarHBondContact O-CE1 3.28Å; Q202-F241 HydrophobicContact CG-CE2 4.44Å
203	L	86.9	Confident	85.2	Confident	64 Å²	64	51.3 Å²	51.3	34%	0.335	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-101.8	-6.9	179.4	-62.9	177.1	0	0	0	113.1	I199 D200 I201 Y205 R206	I199-L203 HydrophobicContact CD1-CB 4.25Å; I199-L203 HydrophobicContact CG1-CB 4.1Å; D200-L203 HydrophobicContact CB-CB 4.39Å; D200-L203 HydrophobicContact CB-CD1 4.04Å; D200-L203 HydrophobicContact CB-CG 4.09Å; D200-L203 WeakPolarHBondContact O-CA 3.17Å; D200-L203 PolarHBondContact O-N 3.48Å; I201-L203 PolarHBondContact O-N 3.31Å; L203-Y205 PolarHBondContact O-N 3.26Å; L203-R206 WeakPolarHBondContact O-CB 3.42Å; L203-R206 PolarHBondContact O-N 2.82Å
204	L	85	Confident	85.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-57.1	-37.9	-179.3	-78.9	174.4	0	0	0	112.5	L194 I199 D200 I201 R206 Q207 I238	L194-L204 WeakPolarHBondContact O-CD2 3.45Å; I199-L204 HydrophobicContact CD1-CD2 4.37Å; I199-L204 HydrophobicContact CG2-CD2 3.48Å; I199-L204 VanDerWaalsContact CG2-CD2 3.48Å; I199-L204 HydrophobicContact CG2-CG 4.21Å; D200-L204 PolarHBondContact O-N 3.43Å; I201-L204 HydrophobicContact CD1-CD1 3.48Å; I201-L204 VanDerWaalsContact CD1-CD1 3.48Å; I201-L204 HydrophobicContact CG1-CD1 4.16Å; I201-L204 WeakPolarHBondContact O-CB 3.3Å; I201-L204 PolarHBondContact O-N 3.29Å; L204-R206 PolarHBondContact O-N 3Å; L204-R206 VanDerWaalsContact O-N 3.07Å; L204-Q207 WeakPolarHBondContact O-CB 3.41Å; L204-Q207 PolarHBondContact O-N 3.34Å; L204-I238 HydrophobicContact CD1-CG1 4.05Å
205	Y	84.3	Confident	85.4	Confident	32 Å²	32	48.9 Å²	48.9	13%	0.125	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-59.3	-23	179.5	80.6	-94.5	0	0	0	113.2	Q202 L203 Q207 Y208 I255 E256 K259	Q202-Y205 WeakPolarHBondContact O-CD1 3.48Å; Q202-Y205 WeakPolarHBondContact O-CE1 3.28Å; L203-Y205 PolarHBondContact O-N 3.26Å; Y205-Q207 PolarHBondContact O-N 2.97Å; Y205-Y208 WeakPolarHBondContact O-CB 3.45Å; Y205-Y208 PolarHBondContact O-N 2.9Å; Y205-I255 HydrophobicContact CE2-CG2 4.48Å; Y205-E256 HydrophobicContact CD1-CB 4.09Å; Y205-E256 HydrophobicContact CD1-CG 3.56Å; Y205-E256 HydrophobicContact CE1-CB 4.22Å; Y205-E256 HydrophobicContact CE1-CG 3.21Å; Y205-K259 HydrophobicContact CD2-CB 4.15Å; Y205-K259 HydrophobicContact CD2-CD 3.66Å; Y205-K259 HydrophobicContact CE2-CD 4.26Å; Y205-K259 HydrophobicContact CG-CB 4.32Å
206	R	86.9	Confident	85.7	Confident	161 Å²	161	48.7 Å²	48.7	61%	0.608	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-71.6	-16.4	177.6	-62.9	-174.8	175.3	-180	0.9	112.8	L203 L204 T210	L203-R206 WeakPolarHBondContact O-CB 3.42Å; L203-R206 PolarHBondContact O-N 2.82Å; L204-R206 PolarHBondContact O-N 3Å; L204-R206 VanDerWaalsContact O-N 3.07Å; R206-T210 WeakPolarHBondContact O-CG2 3.44Å
207	Q	87.6	Confident	86.1	Confident	12 Å²	12	47 Å²	47	6%	0.056	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-84	-15.7	176.1	-58	-172.2	-13.8	0	0	112.5	M193 I199 L204 Y205 T210 K212	M193-Q207 PolarHBondContact O-NE2 2.94Å; I199-Q207 HydrophobicContact CD1-CG 4.19Å; L204-Q207 WeakPolarHBondContact O-CB 3.41Å; L204-Q207 PolarHBondContact O-N 3.34Å; Y205-Q207 PolarHBondContact O-N 2.97Å; Q207-T210 WeakPolarHBondContact O-CB 3.45Å; Q207-T210 PolarHBondContact O-N 2.84Å; Q207-T210 PolarHBondContact O-OG1 3.5Å; Q207-K212 HydrophobicContact CB-CB 4.33Å; Q207-K212 HydrophobicContact CG-CD 4.14Å
208	Y	84.1	Confident	86.5	Confident	34 Å²	34	41.5 Å²	41.5	13%	0.133	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	137.8	176.8	-177.9	-125	0	0	0	110.9	Y205 T210 E262 M263 K267	Y205-Y208 WeakPolarHBondContact O-CB 3.45Å; Y205-Y208 PolarHBondContact O-N 2.9Å; Y208-T210 PolarHBondContact O-N 3.45Å; Y208-E262 HydrophobicContact CE1-CB 4.07Å; Y208-M263 HydrophobicContact CD2-CB 3.86Å; Y208-M263 HydrophobicContact CD2-CG 3.98Å; Y208-M263 HydrophobicContact CE2-CB 4.41Å; Y208-M263 HydrophobicContact CG-CB 4.16Å; Y208-M263 HydrophobicContact CG-CG 4.49Å; Y208-K267 HydrophobicContact CE2-CB 4.38Å
209	N	82.5	Confident	86.9	Confident	100 Å²	100	37 Å²	37	54%	0.535	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	27	-172.8	-68.4	-26	0	0	0	115	N156	N156-N209 PolarHBondContact ND2-O 3.17Å; N156-N209 VanDerWaalsContact ND2-O 3.12Å
210	T	88.3	Confident	87.2	Confident	43 Å²	43	35.7 Å²	35.7	26%	0.264	17%	0.168	S	C	.	.	S	Bend	trans	-113.5	172.5	170.7	74.6	0	0	0	0	110.7	R206 Q207 Y208 K212 D213	R206-T210 WeakPolarHBondContact O-CG2 3.44Å; Q207-T210 WeakPolarHBondContact O-CB 3.45Å; Q207-T210 PolarHBondContact O-N 2.84Å; Q207-T210 PolarHBondContact O-OG1 3.5Å; Y208-T210 PolarHBondContact O-N 3.45Å; T210-K212 PolarHBondContact O-N 3.4Å; T210-K212 VanDerWaalsContact O-N 3.09Å; T210-K212 PolarHBondContact OG1-N 3.09Å; T210-D213 WeakPolarHBondContact O-CB 3.4Å; T210-D213 PolarHBondContact O-N 2.77Å
211	W	89.2	Confident	87.5	Confident	30 Å²	30	31.8 Å²	31.8	11%	0.114	15%	0.147	C	C	.	.	H	α-helix	trans	-56.6	-26.2	175.1	72.5	-87.4	0	0	0	113.2	I147 E148 R151 L154 D213 Q214 L215	I147-W211 HydrophobicContact CG2-CH2 4.38Å; I147-W211 HydrophobicContact CG2-CZ3 4.23Å; E148-W211 HydrophobicContact CG-CH2 4.35Å; R151-W211 HydrophobicContact CB-CD2 4.24Å; R151-W211 HydrophobicContact CB-CE3 4.39Å; R151-W211 HydrophobicContact CG-CD2 3.89Å; R151-W211 HydrophobicContact CG-CG 3.85Å; L154-W211 HydrophobicContact CB-CB 4.25Å; L154-W211 HydrophobicContact CD1-CE3 4.36Å; L154-W211 WeakPolarHBondContact O-CA 3.43Å; W211-D213 PolarHBondContact O-N 3.33Å; W211-Q214 WeakPolarHBondContact O-CB 3.38Å; W211-Q214 PolarHBondContact O-N 2.79Å; W211-Q214 VanDerWaalsContact O-N 3.14Å; W211-L215 HydrophobicContact CE3-CD1 4.01Å; W211-L215 HydrophobicContact CE3-CG 4.02Å; W211-L215 HydrophobicContact CH2-CD1 3.89Å; W211-L215 HydrophobicContact CZ3-CD1 3.37Å; W211-L215 HydrophobicContact CZ3-CD2 4.13Å; W211-L215 HydrophobicContact CZ3-CG 3.76Å; W211-L215 PolarHBondContact O-N 2.67Å
212	K	90.3	Very high	87.9	Confident	33 Å²	33	30 Å²	30	14%	0.143	14%	0.138	C	C	.	.	H	α-helix	trans	-67.7	-22.4	174.7	-68.2	-162.6	174.7	-154.2	0	113.2	T192 L194 Q207 T210 Q214 L215	T192-K212 PolarHBondContact O-NZ 3.2Å; L194-K212 HydrophobicContact CD2-CB 4.16Å; L194-K212 HydrophobicContact CD2-CD 4.39Å; Q207-K212 HydrophobicContact CB-CB 4.33Å; Q207-K212 HydrophobicContact CG-CD 4.14Å; T210-K212 PolarHBondContact O-N 3.4Å; T210-K212 VanDerWaalsContact O-N 3.09Å; T210-K212 PolarHBondContact OG1-N 3.09Å; K212-Q214 VanDerWaalsContact C-N 3.29Å; K212-L215 HydrophobicContact CG-CD1 4.43Å; K212-L215 WeakPolarHBondContact O-CB 3.47Å; K212-L215 PolarHBondContact O-N 3.45Å
213	D	86.6	Confident	88	Confident	4 Å²	4	25.6 Å²	25.6	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-68.8	-33.5	173.5	-155.2	43.3	0	0	0	110.7	T210 W211 I216 K267	T210-D213 WeakPolarHBondContact O-CB 3.4Å; T210-D213 PolarHBondContact O-N 2.77Å; W211-D213 PolarHBondContact O-N 3.33Å; D213-I216 WeakPolarHBondContact O-CB 3.14Å; D213-I216 PolarHBondContact O-N 3.21Å; D213-K267 WeakPolarHBondContact O-CE 3.32Å; D213-K267 WeakPolarHBondContact OD1-CG 3.3Å; D213-K267 WeakPolarHBondContact OD2-CE 3.44Å
214	Q	89.4	Confident	88	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-73.3	-28.8	174	-51.2	-57.1	-19.1	0	0	112.4	L154 N156 I159 W211 K212 I216 D217 I218 I511	L154-Q214 HydrophobicContact CB-CB 4.42Å; L154-Q214 WeakPolarHBondContact O-CG 3.48Å; N156-Q214 PolarHBondContact OD1-NE2 3.08Å; I159-Q214 HydrophobicContact CD1-CG 4.08Å; I159-Q214 HydrophobicContact CG1-CG 4.35Å; W211-Q214 WeakPolarHBondContact O-CB 3.38Å; W211-Q214 PolarHBondContact O-N 2.79Å; W211-Q214 VanDerWaalsContact O-N 3.14Å; K212-Q214 VanDerWaalsContact C-N 3.29Å; Q214-I216 PolarHBondContact O-N 3.39Å; Q214-D217 PolarHBondContact O-N 2.98Å; Q214-I218 WeakPolarHBondContact O-CG1 3.43Å; Q214-I218 PolarHBondContact O-N 2.75Å; Q214-I218 VanDerWaalsContact O-N 3.11Å; Q214-I511 HydrophobicContact CB-CD1 4.13Å
215	L	91.4	Very high	88.1	Confident	4 Å²	4	26.8 Å²	26.8	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-59.9	-29.1	171.5	-73.1	179.5	0	0	0	112.5	I147 L154 L171 L194 W211 K212 I218 L219	I147-L215 HydrophobicContact CG2-CD1 4.12Å; I147-L215 HydrophobicContact CG2-CD2 4.03Å; L154-L215 HydrophobicContact CD1-CD2 3.75Å; L154-L215 HydrophobicContact CD1-CG 4.38Å; L171-L215 HydrophobicContact CD2-CD2 4.06Å; L194-L215 HydrophobicContact CD1-CB 4.43Å; W211-L215 HydrophobicContact CE3-CD1 4.01Å; W211-L215 HydrophobicContact CE3-CG 4.02Å; W211-L215 HydrophobicContact CH2-CD1 3.89Å; W211-L215 HydrophobicContact CZ3-CD1 3.37Å; W211-L215 HydrophobicContact CZ3-CD2 4.13Å; W211-L215 HydrophobicContact CZ3-CG 3.76Å; W211-L215 PolarHBondContact O-N 2.67Å; K212-L215 HydrophobicContact CG-CD1 4.43Å; K212-L215 WeakPolarHBondContact O-CB 3.47Å; K212-L215 PolarHBondContact O-N 3.45Å; L215-I218 HydrophobicContact CD2-CD1 4.36Å; L215-I218 PolarHBondContact O-N 2.88Å; L215-L219 WeakPolarHBondContact O-CB 3.47Å; L215-L219 WeakPolarHBondContact O-CG 3.4Å; L215-L219 PolarHBondContact O-N 2.94Å
216	I	90.6	Very high	88.3	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.5	-48.5	176.3	-59.2	174.9	0	0	0	109.7	D213 Q214 I218 L219 I220 I231 M263 F268	D213-I216 WeakPolarHBondContact O-CB 3.14Å; D213-I216 PolarHBondContact O-N 3.21Å; Q214-I216 PolarHBondContact O-N 3.39Å; I216-I218 VanDerWaalsContact C-N 3.28Å; I216-I218 PolarHBondContact O-N 2.84Å; I216-L219 PolarHBondContact O-N 3.12Å; I216-I220 HydrophobicContact CG2-CD1 3.84Å; I216-I220 WeakPolarHBondContact O-CB 3.02Å; I216-I220 VanDerWaalsContact O-CG1 3.29Å; I216-I220 WeakPolarHBondContact O-CG1 3.45Å; I216-I220 PolarHBondContact O-N 2.86Å; I216-I231 HydrophobicContact CB-CD1 4.42Å; I216-I231 HydrophobicContact CG2-CD1 3.89Å; I216-M263 HydrophobicContact CD1-CE 3.64Å; I216-F268 HydrophobicContact CD1-CD2 4.09Å; I216-F268 HydrophobicContact CD1-CE2 4.24Å; I216-F268 HydrophobicContact CG2-CD2 3.92Å; I216-F268 HydrophobicContact CG2-CE2 3.73Å
217	D	89.5	Confident	88.5	Confident	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-62.3	-38.4	177.4	-64.1	-1.4	0	0	0	111.1	Q214 I220 N221 K267 S271 I511	Q214-D217 PolarHBondContact O-N 2.98Å; D217-I220 PolarHBondContact O-N 2.81Å; D217-N221 VanDerWaalsContact O-CB 3.25Å; D217-N221 WeakPolarHBondContact O-CB 3.43Å; D217-N221 PolarHBondContact O-N 3.22Å; D217-N221 PolarHBondContact O-ND2 2.83Å; D217-K267 WeakPolarHBondContact OD1-CE 3.49Å; D217-K267 IonicContact OD1-NZ 3.67Å; D217-K267 PolarHBondContact OD1-NZ 2.91Å; D217-K267 VanDerWaalsContact OD1-NZ 3.15Å; D217-K267 IonicContact OD2-NZ 2.64Å; D217-K267 PolarHBondContact OD2-NZ 2.75Å; D217-S271 WeakPolarHBondContact OD1-CB 3.05Å; D217-S271 PolarHBondContact OD1-OG 3.48Å; D217-I511 HydrophobicContact CB-CB 4.02Å; D217-I511 HydrophobicContact CB-CD1 4.18Å
218	I	91.3	Very high	88.6	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.4	-43.6	177.9	-68.1	169.9	0	0	0	111.5	L154 I168 L171 I172 L175 Q214 L215 I216 N221 C222 I511	L154-I218 HydrophobicContact CD1-CD1 3.57Å; L154-I218 HydrophobicContact CD2-CD1 3.46Å; L154-I218 VanDerWaalsContact CD2-CD1 3.46Å; L154-I218 HydrophobicContact CG-CD1 4.15Å; I168-I218 HydrophobicContact CG1-CD1 4Å; I168-I218 HydrophobicContact CG1-CG1 4.22Å; I168-I218 HydrophobicContact CG2-CG1 4.31Å; L171-I218 HydrophobicContact CD2-CD1 4.04Å; L171-I218 HydrophobicContact CD2-CG2 4.05Å; L171-I218 HydrophobicContact CG-CG2 4.19Å; I172-I218 HydrophobicContact CG1-CG2 3.81Å; L175-I218 HydrophobicContact CD1-CG2 4.02Å; Q214-I218 WeakPolarHBondContact O-CG1 3.43Å; Q214-I218 PolarHBondContact O-N 2.75Å; Q214-I218 VanDerWaalsContact O-N 3.11Å; L215-I218 HydrophobicContact CD2-CD1 4.36Å; L215-I218 PolarHBondContact O-N 2.88Å; I216-I218 VanDerWaalsContact C-N 3.28Å; I216-I218 PolarHBondContact O-N 2.84Å; I218-N221 CarbonylContact O-C 3.59Å; I218-N221 PolarHBondContact O-N 2.83Å; I218-C222 WeakPolarHBondContact O-CB 3.38Å; I218-C222 PolarHBondContact O-N 2.72Å; I218-I511 HydrophobicContact CG1-CD1 4.47Å
219	L	92.1	Very high	88.9	Confident	2 Å²	2	17.4 Å²	17.4	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-69	-34.5	177	-71.6	174.4	0	0	0	112.1	L175 L188 L194 L215 I216 C222 C227 I230 I231	L175-L219 HydrophobicContact CD1-CD2 4.09Å; L188-L219 HydrophobicContact CD2-CD2 4.04Å; L194-L219 HydrophobicContact CD1-CD1 3.37Å; L215-L219 WeakPolarHBondContact O-CB 3.47Å; L215-L219 WeakPolarHBondContact O-CG 3.4Å; L215-L219 PolarHBondContact O-N 2.94Å; I216-L219 PolarHBondContact O-N 3.12Å; L219-C222 WeakPolarHBondContact O-CB 3.25Å; L219-C222 PolarHBondContact O-N 3.02Å; L219-C227 HydrophobicContact CD2-CB 4.15Å; L219-C227 WeakPolarHBondContact O-CB 3.23Å; L219-I230 HydrophobicContact CD1-CG2 4.41Å; L219-I231 HydrophobicContact CB-CD1 3.65Å; L219-I231 HydrophobicContact CB-CG1 3.75Å; L219-I231 HydrophobicContact CD1-CD1 4.04Å
220	I	90.6	Very high	89.3	Confident	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-62	-47.1	172.1	-76.3	167.3	0	0	0	110.5	I216 D217 G223 I231 L272 H274 I275	I216-I220 HydrophobicContact CG2-CD1 3.84Å; I216-I220 WeakPolarHBondContact O-CB 3.02Å; I216-I220 VanDerWaalsContact O-CG1 3.29Å; I216-I220 WeakPolarHBondContact O-CG1 3.45Å; I216-I220 PolarHBondContact O-N 2.86Å; D217-I220 PolarHBondContact O-N 2.81Å; I220-G223 PolarHBondContact O-N 2.81Å; I220-I231 HydrophobicContact CD1-CG2 4.37Å; I220-I231 HydrophobicContact CG1-CD1 4.32Å; I220-I231 HydrophobicContact CG1-CG1 4.24Å; I220-I231 HydrophobicContact CG1-CG2 3.96Å; I220-L272 HydrophobicContact CD1-CD2 4.18Å; I220-L272 HydrophobicContact CD1-CG 4.47Å; I220-L272 HydrophobicContact CG1-CD2 4.39Å; I220-H274 HydrophobicContact CG2-CB 4.25Å; I220-I275 HydrophobicContact CG2-CG1 3.67Å
221	N	88.9	Confident	89.5	Confident	5 Å²	5	10.7 Å²	10.7	3%	0.027	6%	0.058	C	C	.	.	H	α-helix	trans	-73.9	-24.2	179.7	-80.6	-54.6	0	0	0	113.9	I172 R176 D217 I218 G223 I511 L513	I172-N221 HydrophobicContact CD1-CB 3.78Å; R176-N221 PolarHBondContact NH2-O 2.99Å; D217-N221 VanDerWaalsContact O-CB 3.25Å; D217-N221 WeakPolarHBondContact O-CB 3.43Å; D217-N221 PolarHBondContact O-N 3.22Å; D217-N221 PolarHBondContact O-ND2 2.83Å; I218-N221 CarbonylContact O-C 3.59Å; I218-N221 PolarHBondContact O-N 2.83Å; N221-G223 PolarHBondContact O-N 2.88Å; N221-I511 PolarHBondContact ND2-O 3.19Å; N221-L513 HydrophobicContact CB-CD1 3.35Å; N221-L513 PolarHBondContact OD1-N 3.44Å
222	C	88.5	Confident	89.6	Confident	1 Å²	1	9.9 Å²	9.9	1%	0.007	6%	0.056	C	C	.	.	H	α-helix	trans	-56.5	-41	171.3	165.1	0	0	0	0	110.8	R176 I218 L219 T224 C227	R176-C222 PolarHBondContact NE-O 2.62Å; I218-C222 WeakPolarHBondContact O-CB 3.38Å; I218-C222 PolarHBondContact O-N 2.72Å; L219-C222 WeakPolarHBondContact O-CB 3.25Å; L219-C222 PolarHBondContact O-N 3.02Å; C222-T224 PolarHBondContact O-N 3.06Å; C222-T224 PolarHBondContact SG-OG1 3.24Å; C222-T224 VanDerWaalsContact SG-OG1 3.35Å; C222-C227 HydrophobicContact CB-CB 3.62Å; C222-C227 WeakPolarHBondContact CB-SG 3.37Å; C222-C227 WeakPolarHBondContact SG-CB 3.38Å; C222-C227 CovalentContact SG-SG 2.06Å; C222-C227 PolarHBondContact SG-SG 3.48Å
223	G	84.2	Confident	89.6	Confident	9 Å²	9	11.5 Å²	11.5	9%	0.093	7%	0.066	C	C	.	.			trans	69.1	-2.2	167.7	0	0	0	0	0	116.2	I220 N221 N277	I220-G223 PolarHBondContact O-N 2.81Å; N221-G223 PolarHBondContact O-N 2.88Å; G223-N277 VanDerWaalsContact C-ND2 3.28Å; G223-N277 WeakPolarHBondContact CA-ND2 3.37Å; G223-N277 PolarHBondContact O-ND2 3.49Å
224	T	87	Confident	89.8	Confident	34 Å²	34	11.4 Å²	11.4	21%	0.209	7%	0.065	C	C	.	.	S	Bend	trans	-73.1	156.4	173.1	64.6	0	0	0	0	110.9	R176 C222 T226 C227 L228	R176-T224 HydrophobicContact CB-CG2 4.26Å; R176-T224 HydrophobicContact CG-CG2 3.94Å; C222-T224 PolarHBondContact O-N 3.06Å; C222-T224 PolarHBondContact SG-OG1 3.24Å; C222-T224 VanDerWaalsContact SG-OG1 3.35Å; T224-T226 PolarHBondContact O-N 2.82Å; T224-C227 PolarHBondContact O-N 3.36Å; T224-C227 WeakPolarHBondContact OG1-CB 3.24Å; T224-C227 PolarHBondContact OG1-N 2.95Å; T224-C227 PolarHBondContact OG1-SG 3.36Å; T224-C227 VanDerWaalsContact OG1-SG 3.34Å; T224-L228 WeakPolarHBondContact O-CB 3.37Å; T224-L228 WeakPolarHBondContact O-CG 3.25Å; T224-L228 PolarHBondContact O-N 2.7Å
225	N	87.1	Confident	89.9	Confident	56 Å²	56	11.3 Å²	11.3	30%	0.299	7%	0.065	S	C	.	.	H	α-helix	trans	-59	-38.1	176.9	-173.4	53.7	0	0	0	111.8	D180 L228 T229 Q283	D180-N225 PolarHBondContact OD1-ND2 3.24Å; D180-N225 WeakPolarHBondContact OD2-CB 3.38Å; D180-N225 PolarHBondContact OD2-ND2 2.86Å; D180-N225 VanDerWaalsContact OD2-ND2 3.08Å; N225-L228 PolarHBondContact O-N 2.94Å; N225-T229 WeakPolarHBondContact O-CB 3.41Å; N225-T229 PolarHBondContact O-N 3.33Å; N225-T229 PolarHBondContact O-OG1 2.87Å; N225-Q283 PolarHBondContact OD1-NE2 3.04Å
226	T	87.5	Confident	89.9	Confident	1 Å²	1	13.5 Å²	13.5	1%	0.006	8%	0.077	C	C	.	.	H	α-helix	trans	-55.1	-52.8	172.2	-49.4	0	0	0	0	112.1	P179 D180 I185 L188 T224	P179-T226 PolarHBondContact O-OG1 2.77Å; D180-T226 WeakPolarHBondContact CA-OG1 3.35Å; I185-T226 HydrophobicContact CG1-CG2 3.78Å; L188-T226 HydrophobicContact CD2-CG2 4.31Å; T224-T226 PolarHBondContact O-N 2.82Å
227	C	91.3	Very high	89.8	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.7	-45.5	-179.7	-74.1	0	0	0	0	111.8	L219 C222 T224 T229 I230 I231	L219-C227 HydrophobicContact CD2-CB 4.15Å; L219-C227 WeakPolarHBondContact O-CB 3.23Å; C222-C227 HydrophobicContact CB-CB 3.62Å; C222-C227 WeakPolarHBondContact CB-SG 3.37Å; C222-C227 WeakPolarHBondContact SG-CB 3.38Å; C222-C227 CovalentContact SG-SG 2.06Å; C222-C227 PolarHBondContact SG-SG 3.48Å; T224-C227 PolarHBondContact O-N 3.36Å; T224-C227 WeakPolarHBondContact OG1-CB 3.24Å; T224-C227 PolarHBondContact OG1-N 2.95Å; T224-C227 PolarHBondContact OG1-SG 3.36Å; T224-C227 VanDerWaalsContact OG1-SG 3.34Å; C227-T229 PolarHBondContact O-N 3.39Å; C227-I230 PolarHBondContact O-N 2.96Å; C227-I231 WeakPolarHBondContact O-CG1 3.47Å; C227-I231 PolarHBondContact O-N 3.36Å
228	L	90.3	Very high	89.8	Confident	7 Å²	7	16.3 Å²	16.3	4%	0.037	9%	0.09	C	C	.	.	H	α-helix	trans	-67.1	-36.6	-178.7	-69.7	172.6	0	0	0	112.7	T224 N225 I230 I231 L232 I275 L279	T224-L228 WeakPolarHBondContact O-CB 3.37Å; T224-L228 WeakPolarHBondContact O-CG 3.25Å; T224-L228 PolarHBondContact O-N 2.7Å; N225-L228 PolarHBondContact O-N 2.94Å; L228-I230 VanDerWaalsContact C-N 3.31Å; L228-I230 PolarHBondContact O-N 2.95Å; L228-I231 PolarHBondContact O-N 3.37Å; L228-L232 WeakPolarHBondContact O-CG 3.25Å; L228-L232 PolarHBondContact O-N 3.27Å; L228-I275 HydrophobicContact CD2-CD1 4.27Å; L228-I275 HydrophobicContact CD2-CG1 4.36Å; L228-L279 HydrophobicContact CD1-CD2 3.89Å
229	T	89.5	Confident	89.6	Confident	33 Å²	33	16.3 Å²	16.3	20%	0.202	9%	0.09	C	C	.	.	H	α-helix	trans	-61.2	-40.3	178.5	-58	0	0	0	0	111.5	I185 N225 C227 I231 L232 N233	I185-T229 HydrophobicContact CD1-CG2 4.23Å; I185-T229 HydrophobicContact CG2-CG2 4.36Å; N225-T229 WeakPolarHBondContact O-CB 3.41Å; N225-T229 PolarHBondContact O-N 3.33Å; N225-T229 PolarHBondContact O-OG1 2.87Å; C227-T229 PolarHBondContact O-N 3.39Å; T229-I231 VanDerWaalsContact C-N 3.34Å; T229-I231 PolarHBondContact O-N 2.91Å; T229-L232 PolarHBondContact O-N 2.89Å; T229-N233 WeakPolarHBondContact O-CB 3.47Å; T229-N233 PolarHBondContact O-N 3.22Å; T229-N233 PolarHBondContact O-ND2 2.9Å
230	I	90.9	Very high	89.4	Confident	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-64.1	-41.9	176.8	-63.3	172.5	0	0	0	110.8	I185 L188 T195 L219 C227 L228 N233 R234	I185-I230 HydrophobicContact CG2-CG1 4.16Å; L188-I230 HydrophobicContact CB-CD1 3.66Å; L188-I230 HydrophobicContact CD2-CD1 3.47Å; L188-I230 VanDerWaalsContact CD2-CD1 3.47Å; L188-I230 HydrophobicContact CG-CD1 3.43Å; L188-I230 VanDerWaalsContact CG-CD1 3.43Å; T195-I230 HydrophobicContact CG2-CG2 4.18Å; T195-I230 WeakPolarHBondContact CG2-O 3.3Å; L219-I230 HydrophobicContact CD1-CG2 4.41Å; C227-I230 PolarHBondContact O-N 2.96Å; L228-I230 VanDerWaalsContact C-N 3.31Å; L228-I230 PolarHBondContact O-N 2.95Å; I230-N233 PolarHBondContact O-N 3.06Å; I230-R234 WeakPolarHBondContact O-CB 3.45Å; I230-R234 PolarHBondContact O-N 3.47Å
231	I	92.4	Very high	89.2	Confident	2 Å²	2	20.6 Å²	20.6	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-64.4	-46.7	177.8	-63.9	-67.4	0	0	0	110.5	I216 L219 I220 C227 L228 T229 N233 R234 L235 F268 L272	I216-I231 HydrophobicContact CB-CD1 4.42Å; I216-I231 HydrophobicContact CG2-CD1 3.89Å; L219-I231 HydrophobicContact CB-CD1 3.65Å; L219-I231 HydrophobicContact CB-CG1 3.75Å; L219-I231 HydrophobicContact CD1-CD1 4.04Å; I220-I231 HydrophobicContact CD1-CG2 4.37Å; I220-I231 HydrophobicContact CG1-CD1 4.32Å; I220-I231 HydrophobicContact CG1-CG1 4.24Å; I220-I231 HydrophobicContact CG1-CG2 3.96Å; C227-I231 WeakPolarHBondContact O-CG1 3.47Å; C227-I231 PolarHBondContact O-N 3.36Å; L228-I231 PolarHBondContact O-N 3.37Å; T229-I231 VanDerWaalsContact C-N 3.34Å; T229-I231 PolarHBondContact O-N 2.91Å; I231-N233 PolarHBondContact O-N 3.3Å; I231-R234 WeakPolarHBondContact O-CB 3.32Å; I231-R234 PolarHBondContact O-N 3.38Å; I231-L235 PolarHBondContact O-N 3.1Å; I231-F268 HydrophobicContact CB-CZ 4.47Å; I231-F268 HydrophobicContact CG2-CE1 3.96Å; I231-F268 HydrophobicContact CG2-CE2 4.42Å; I231-F268 HydrophobicContact CG2-CZ 3.52Å; I231-F268 VanDerWaalsContact O-CZ 3.29Å; I231-F268 WeakPolarHBondContact O-CZ 3.23Å; I231-L272 HydrophobicContact CG2-CD2 3.78Å
232	L	91.3	Very high	89	Confident	12 Å²	12	20.4 Å²	20.4	6%	0.063	11%	0.107	C	C	.	.	H	α-helix	trans	-65.9	-38.1	178.4	-67.4	172.8	0	0	0	112.5	L228 T229 R234 L235 N236 Q283 L287	L228-L232 WeakPolarHBondContact O-CG 3.25Å; L228-L232 PolarHBondContact O-N 3.27Å; T229-L232 PolarHBondContact O-N 2.89Å; L232-R234 VanDerWaalsContact C-N 3.32Å; L232-R234 PolarHBondContact O-N 2.83Å; L232-L235 WeakPolarHBondContact O-CB 3.21Å; L232-L235 PolarHBondContact O-N 2.92Å; L232-N236 WeakPolarHBondContact O-CB 3.31Å; L232-N236 PolarHBondContact O-N 2.93Å; L232-Q283 HydrophobicContact CD1-CB 3.86Å; L232-Q283 HydrophobicContact CD1-CG 3.57Å; L232-L287 HydrophobicContact CD2-CD2 3.49Å; L232-L287 VanDerWaalsContact CD2-CD2 3.49Å; L232-L287 HydrophobicContact CD2-CG 3.74Å
233	N	90.2	Very high	88.8	Confident	68 Å²	68	23.3 Å²	23.3	36%	0.364	12%	0.119	S	C	.	.	H	α-helix	trans	-60.2	-44.8	172	-73.9	-16	0	0	0	110.7	T195 T229 I230 I231 L235 N236 E237	T195-N233 HydrophobicContact CG2-CB 4.17Å; T229-N233 WeakPolarHBondContact O-CB 3.47Å; T229-N233 PolarHBondContact O-N 3.22Å; T229-N233 PolarHBondContact O-ND2 2.9Å; I230-N233 PolarHBondContact O-N 3.06Å; I231-N233 PolarHBondContact O-N 3.3Å; N233-L235 PolarHBondContact O-N 2.57Å; N233-N236 PolarHBondContact O-N 3.4Å; N233-E237 WeakPolarHBondContact O-CG 3.2Å; N233-E237 PolarHBondContact O-N 2.88Å
234	R	91.5	Very high	88.7	Confident	1 Å²	1	28.5 Å²	28.5	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-59.9	-47.2	176	-168	169.6	-175.4	165.3	8.4	112.3	L194 T195 I230 I231 L232 N236 E237 I238 F268	L194-R234 WeakPolarHBondContact O-CD 3.37Å; L194-R234 WeakPolarHBondContact O-CG 3.25Å; L194-R234 PolarHBondContact O-NE 2.69Å; T195-R234 HydrophobicContact CG2-CB 3.51Å; T195-R234 HydrophobicContact CG2-CG 4.2Å; I230-R234 WeakPolarHBondContact O-CB 3.45Å; I230-R234 PolarHBondContact O-N 3.47Å; I231-R234 WeakPolarHBondContact O-CB 3.32Å; I231-R234 PolarHBondContact O-N 3.38Å; L232-R234 VanDerWaalsContact C-N 3.32Å; L232-R234 PolarHBondContact O-N 2.83Å; R234-N236 VanDerWaalsContact C-N 3.31Å; R234-N236 PolarHBondContact O-N 2.93Å; R234-E237 PolarHBondContact O-N 3.38Å; R234-I238 HydrophobicContact CG-CD1 3.78Å; R234-I238 HydrophobicContact CG-CG1 4.39Å; R234-I238 WeakPolarHBondContact O-CB 3.49Å; R234-I238 WeakPolarHBondContact O-CG1 3.32Å; R234-I238 PolarHBondContact O-N 3.2Å; R234-F268 HydrophobicContact CB-CE2 4.27Å; R234-F268 HydrophobicContact CB-CZ 4.23Å; R234-F268 HydrophobicContact CG-CE2 4.13Å
235	L	91.8	Very high	88.3	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.6	-48.4	177.4	-179.3	60.8	0	0	0	111	I231 L232 N233 E237 I238 T239 L264 F268 W269 L272 L287	I231-L235 PolarHBondContact O-N 3.1Å; L232-L235 WeakPolarHBondContact O-CB 3.21Å; L232-L235 PolarHBondContact O-N 2.92Å; N233-L235 PolarHBondContact O-N 2.57Å; L235-E237 PolarHBondContact O-N 2.88Å; L235-I238 PolarHBondContact O-N 2.82Å; L235-T239 VanDerWaalsContact O-CB 3.22Å; L235-T239 WeakPolarHBondContact O-CB 3.44Å; L235-T239 PolarHBondContact O-N 2.77Å; L235-T239 PolarHBondContact O-OG1 3.35Å; L235-L264 HydrophobicContact CD1-CD1 3.59Å; L235-F268 HydrophobicContact CB-CD1 4.3Å; L235-F268 HydrophobicContact CB-CE1 3.54Å; L235-F268 HydrophobicContact CB-CZ 4.06Å; L235-F268 HydrophobicContact CD1-CD1 3.65Å; L235-F268 HydrophobicContact CD1-CE1 3.79Å; L235-F268 HydrophobicContact CD2-CE1 4.42Å; L235-F268 HydrophobicContact CG-CD1 4.45Å; L235-F268 HydrophobicContact CG-CE1 4.09Å; L235-W269 HydrophobicContact CD1-CH2 4.49Å; L235-W269 HydrophobicContact CD1-CZ2 3.99Å; L235-W269 HydrophobicContact CD2-CH2 4.02Å; L235-W269 HydrophobicContact CD2-CZ2 4.3Å; L235-L272 HydrophobicContact CD2-CD1 4.08Å; L235-L287 HydrophobicContact CD2-CD2 3.63Å
236	N	90.5	Very high	87.7	Confident	50 Å²	50	27.6 Å²	27.6	27%	0.267	13%	0.133	S	C	.	.	H	α-helix	trans	-62.6	-44.7	-177.3	-167.7	18.1	0	0	0	111	L232 N233 R234 T239 K240	L232-N236 WeakPolarHBondContact O-CB 3.31Å; L232-N236 PolarHBondContact O-N 2.93Å; N233-N236 PolarHBondContact O-N 3.4Å; R234-N236 VanDerWaalsContact C-N 3.31Å; R234-N236 PolarHBondContact O-N 2.93Å; N236-T239 PolarHBondContact O-N 2.9Å; N236-K240 PolarHBondContact ND2-NZ 3.3Å; N236-K240 VanDerWaalsContact O-CB 3.3Å; N236-K240 WeakPolarHBondContact O-CB 3.46Å; N236-K240 WeakPolarHBondContact O-CG 3.47Å; N236-K240 PolarHBondContact O-N 3.38Å; N236-K240 VanDerWaalsContact OD1-CE 3.24Å; N236-K240 WeakPolarHBondContact OD1-CE 3.33Å
237	E	89	Confident	86.9	Confident	59 Å²	59	31.7 Å²	31.7	28%	0.276	16%	0.155	S	C	.	.	H	α-helix	trans	-67.4	-42.5	179	-66.9	-48.8	119.8	0	0	112.6	P196 I201 N233 R234 L235 K240 F241	P196-E237 HydrophobicContact CG-CB 4.3Å; P196-E237 HydrophobicContact CG-CG 4.3Å; I201-E237 HydrophobicContact CD1-CB 3.81Å; I201-E237 WeakPolarHBondContact CD1-O 2.89Å; N233-E237 WeakPolarHBondContact O-CG 3.2Å; N233-E237 PolarHBondContact O-N 2.88Å; R234-E237 PolarHBondContact O-N 3.38Å; L235-E237 PolarHBondContact O-N 2.88Å; E237-K240 PolarHBondContact O-N 3.45Å; E237-K240 IonicContact OE1-NZ 2.59Å; E237-K240 PolarHBondContact OE1-NZ 2.76Å; E237-F241 WeakPolarHBondContact O-CB 3.49Å; E237-F241 PolarHBondContact O-N 3.12Å
238	I	89.6	Confident	85.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-46.6	173.8	-71	172.6	0	0	0	110.8	L204 R234 L235 F241 L242 T260 M263 L264	L204-I238 HydrophobicContact CD1-CG1 4.05Å; R234-I238 HydrophobicContact CG-CD1 3.78Å; R234-I238 HydrophobicContact CG-CG1 4.39Å; R234-I238 WeakPolarHBondContact O-CB 3.49Å; R234-I238 WeakPolarHBondContact O-CG1 3.32Å; R234-I238 PolarHBondContact O-N 3.2Å; L235-I238 PolarHBondContact O-N 2.82Å; I238-F241 PolarHBondContact O-N 2.71Å; I238-L242 HydrophobicContact CG2-CD1 4.06Å; I238-L242 WeakPolarHBondContact O-CG 3.22Å; I238-L242 PolarHBondContact O-N 3.47Å; I238-T260 HydrophobicContact CG2-CG2 3.82Å; I238-M263 HydrophobicContact CD1-CE 3.79Å; I238-M263 HydrophobicContact CD1-SD 4.06Å; I238-L264 HydrophobicContact CG2-CB 4.04Å; I238-L264 HydrophobicContact CG2-CD1 4.09Å; I238-L264 HydrophobicContact CG2-CD2 4.41Å; I238-L264 HydrophobicContact CG2-CG 4.4Å
239	T	87.5	Confident	84.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-42.3	-178.3	-55.7	0	0	0	0	110.8	L235 N236 Y243 K293 I297	L235-T239 VanDerWaalsContact O-CB 3.22Å; L235-T239 WeakPolarHBondContact O-CB 3.44Å; L235-T239 PolarHBondContact O-N 2.77Å; L235-T239 PolarHBondContact O-OG1 3.35Å; N236-T239 PolarHBondContact O-N 2.9Å; T239-Y243 WeakPolarHBondContact O-CB 3.29Å; T239-Y243 PolarHBondContact O-N 3.24Å; T239-K293 HydrophobicContact CG2-CB 3.43Å; T239-K293 VanDerWaalsContact CG2-CB 3.43Å; T239-K293 HydrophobicContact CG2-CD 4.01Å; T239-K293 HydrophobicContact CG2-CG 4.38Å; T239-I297 HydrophobicContact CG2-CD1 4.25Å
240	K	87.1	Confident	82.7	Confident	64 Å²	64	47 Å²	47	28%	0.278	23%	0.231	S	C	.	.	H	α-helix	trans	-59.2	-51	173.5	-77.9	170.8	-174	167.7	0	111	N236 E237 L242 Y243 F244	N236-K240 PolarHBondContact ND2-NZ 3.3Å; N236-K240 VanDerWaalsContact O-CB 3.3Å; N236-K240 WeakPolarHBondContact O-CB 3.46Å; N236-K240 WeakPolarHBondContact O-CG 3.47Å; N236-K240 PolarHBondContact O-N 3.38Å; N236-K240 VanDerWaalsContact OD1-CE 3.24Å; N236-K240 WeakPolarHBondContact OD1-CE 3.33Å; E237-K240 PolarHBondContact O-N 3.45Å; E237-K240 IonicContact OE1-NZ 2.59Å; E237-K240 PolarHBondContact OE1-NZ 2.76Å; K240-L242 VanDerWaalsContact C-N 3.33Å; K240-L242 PolarHBondContact O-N 3.45Å; K240-Y243 PolarHBondContact O-N 3.12Å; K240-F244 HydrophobicContact CB-CD2 4.1Å; K240-F244 HydrophobicContact CB-CE2 3.96Å; K240-F244 HydrophobicContact CG-CE2 4.29Å; K240-F244 WeakPolarHBondContact O-CB 3.38Å; K240-F244 WeakPolarHBondContact O-CD2 3.15Å; K240-F244 PolarHBondContact O-N 3.32Å
241	F	86.3	Confident	81.5	Confident	30 Å²	30	52.9 Å²	52.9	13%	0.132	26%	0.262	C	S	.	.	H	α-helix	trans	-55.2	-47.9	-179.9	175.1	-101.2	0	0	0	112.3	I201 Q202 E237 I238 N245 T260	I201-F241 HydrophobicContact CB-CD2 4.49Å; I201-F241 HydrophobicContact CD1-CB 4.08Å; I201-F241 HydrophobicContact CG1-CB 3.7Å; I201-F241 HydrophobicContact CG1-CD2 3.71Å; I201-F241 HydrophobicContact CG1-CG 3.76Å; I201-F241 HydrophobicContact CG2-CD2 3.95Å; I201-F241 HydrophobicContact CG2-CE2 4.27Å; Q202-F241 HydrophobicContact CG-CE2 4.44Å; E237-F241 WeakPolarHBondContact O-CB 3.49Å; E237-F241 PolarHBondContact O-N 3.12Å; I238-F241 PolarHBondContact O-N 2.71Å; F241-N245 WeakPolarHBondContact CE1-ND2 3.38Å; F241-N245 VanDerWaalsContact CE2-ND2 3.26Å; F241-N245 WeakPolarHBondContact CE2-ND2 3.19Å; F241-N245 WeakPolarHBondContact CZ-ND2 3.33Å; F241-N245 WeakPolarHBondContact O-CB 3.2Å; F241-N245 PolarHBondContact O-N 3.05Å; F241-N245 VanDerWaalsContact O-N 3.17Å; F241-N245 PolarHBondContact O-ND2 2.92Å; F241-N245 VanDerWaalsContact O-ND2 3.14Å; F241-T260 HydrophobicContact CD1-CG2 4.03Å; F241-T260 HydrophobicContact CE1-CG2 4.35Å
242	L	85.4	Confident	80.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.3	-43.2	178.4	-69.5	174.4	0	0	0	111.9	I238 K240 N245 N246 F257 T260 K261 L264 I297	I238-L242 HydrophobicContact CG2-CD1 4.06Å; I238-L242 WeakPolarHBondContact O-CG 3.22Å; I238-L242 PolarHBondContact O-N 3.47Å; K240-L242 VanDerWaalsContact C-N 3.33Å; K240-L242 PolarHBondContact O-N 3.45Å; L242-N245 PolarHBondContact O-N 3.46Å; L242-N246 WeakPolarHBondContact O-CB 3.27Å; L242-N246 PolarHBondContact O-N 3.39Å; L242-F257 HydrophobicContact CD2-CD2 3.69Å; L242-F257 HydrophobicContact CD2-CE2 3.68Å; L242-F257 HydrophobicContact CD2-CG 4.29Å; L242-F257 HydrophobicContact CD2-CZ 4.27Å; L242-T260 HydrophobicContact CD1-CG2 4.19Å; L242-T260 HydrophobicContact CD2-CG2 4Å; L242-T260 HydrophobicContact CG-CG2 4.02Å; L242-K261 HydrophobicContact CD2-CB 4.3Å; L242-L264 HydrophobicContact CD1-CB 4.17Å; L242-L264 HydrophobicContact CD1-CD2 3.59Å; L242-I297 HydrophobicContact CB-CD1 3.59Å; L242-I297 HydrophobicContact CB-CG1 4.23Å; L242-I297 HydrophobicContact CB-CG2 4.21Å
243	Y	83.9	Confident	79.4	Confident	63 Å²	63	63.7 Å²	63.7	25%	0.247	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-47.3	179.5	-174.8	-87.5	0	0	0	111.8	T239 K240 N245 N246 D247 K293 I296 I297	T239-Y243 WeakPolarHBondContact O-CB 3.29Å; T239-Y243 PolarHBondContact O-N 3.24Å; K240-Y243 PolarHBondContact O-N 3.12Å; Y243-N245 PolarHBondContact O-N 2.88Å; Y243-N246 PolarHBondContact O-N 3.49Å; Y243-D247 WeakPolarHBondContact CE1-OD2 3.35Å; Y243-D247 PolarHBondContact O-N 3.04Å; Y243-D247 PolarHBondContact OH-OD2 3.36Å; Y243-K293 HydrophobicContact CD2-CB 4.05Å; Y243-K293 HydrophobicContact CD2-CG 4.18Å; Y243-K293 HydrophobicContact CE2-CG 4.5Å; Y243-I296 HydrophobicContact CD2-CG2 4.43Å; Y243-I296 HydrophobicContact CE2-CB 4.16Å; Y243-I296 HydrophobicContact CE2-CD1 4Å; Y243-I296 HydrophobicContact CE2-CG2 3.84Å; Y243-I297 HydrophobicContact CD2-CG1 4.49Å
244	F	82.6	Confident	79	Confident	118 Å²	118	61.7 Å²	61.7	52%	0.518	31%	0.308	S	S	.	.	H	α-helix	trans	-64.2	-39.6	178.3	-75.4	-62.4	0	0	0	112.9	K240 N246 H248	K240-F244 HydrophobicContact CB-CD2 4.1Å; K240-F244 HydrophobicContact CB-CE2 3.96Å; K240-F244 HydrophobicContact CG-CE2 4.29Å; K240-F244 WeakPolarHBondContact O-CB 3.38Å; K240-F244 WeakPolarHBondContact O-CD2 3.15Å; K240-F244 PolarHBondContact O-N 3.32Å; F244-N246 VanDerWaalsContact C-N 3.35Å; F244-H248 PolarHBondContact O-CD2 3.02Å; F244-H248 PolarHBondContact O-N 3.47Å
245	N	79.4	Confident	78.6	Confident	34 Å²	34	66.7 Å²	66.7	18%	0.182	33%	0.334	C	S	.	.	H	α-helix	trans	-70	-33.3	178.1	-74.6	-30.1	0	0	0	112.3	F241 L242 Y243 N249 L250 F257	F241-N245 WeakPolarHBondContact CE1-ND2 3.38Å; F241-N245 VanDerWaalsContact CE2-ND2 3.26Å; F241-N245 WeakPolarHBondContact CE2-ND2 3.19Å; F241-N245 WeakPolarHBondContact CZ-ND2 3.33Å; F241-N245 WeakPolarHBondContact O-CB 3.2Å; F241-N245 PolarHBondContact O-N 3.05Å; F241-N245 VanDerWaalsContact O-N 3.17Å; F241-N245 PolarHBondContact O-ND2 2.92Å; F241-N245 VanDerWaalsContact O-ND2 3.14Å; L242-N245 PolarHBondContact O-N 3.46Å; Y243-N245 PolarHBondContact O-N 2.88Å; N245-N249 PolarHBondContact O-N 3.42Å; N245-L250 PolarHBondContact O-N 2.89Å; N245-F257 HydrophobicContact CB-CD2 3.85Å; N245-F257 HydrophobicContact CB-CE2 3.8Å
246	N	73.4	Confident	78.2	Confident	37 Å²	37	70.2 Å²	70.2	20%	0.198	35%	0.35	C	S	.	.	H	α-helix	trans	-67.8	-44.9	176.3	-152.3	42.1	0	0	0	111.6	L242 Y243 F244 H248 N249 I297	L242-N246 WeakPolarHBondContact O-CB 3.27Å; L242-N246 PolarHBondContact O-N 3.39Å; Y243-N246 PolarHBondContact O-N 3.49Å; F244-N246 VanDerWaalsContact C-N 3.35Å; N246-H248 PolarHBondContact O-N 2.91Å; N246-N249 PolarHBondContact O-N 3.41Å; N246-I297 PolarHBondContact ND2-O 3.5Å
247	D	69.9	Low	77.9	Confident	87 Å²	87	68.2 Å²	68.2	47%	0.465	34%	0.339	S	S	.	.	H	α-helix	trans	-65.7	-24.9	179.5	-83.7	-4.1	0	0	0	113.1	Y243	Y243-D247 WeakPolarHBondContact CE1-OD2 3.35Å; Y243-D247 PolarHBondContact O-N 3.04Å; Y243-D247 PolarHBondContact OH-OD2 3.36Å
248	H	65.6	Low	77.7	Confident	127 Å²	127	69.1 Å²	69.1	59%	0.588	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	5.1	-176	-70.7	-52.3	0	0	0	114.9	F244 N246 L250	F244-H248 PolarHBondContact O-CD2 3.02Å; F244-H248 PolarHBondContact O-N 3.47Å; N246-H248 PolarHBondContact O-N 2.91Å; H248-L250 HydrophobicContact CB-CD1 3.76Å; H248-L250 HydrophobicContact CB-CG 3.97Å; H248-L250 PolarHBondContact O-N 3.3Å; H248-L250 VanDerWaalsContact O-N 3.07Å
249	N	60.1	Low	77.6	Confident	133 Å²	133	73.2 Å²	73.2	71%	0.711	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	27.3	-175	-71.2	-12.3	0	0	0	113.5	N245 N246 N251	N245-N249 PolarHBondContact O-N 3.42Å; N246-N249 PolarHBondContact O-N 3.41Å; N249-N251 PolarHBondContact O-N 3.2Å
250	L	59	Low	77.5	Confident	102 Å²	102	73.3 Å²	73.3	53%	0.534	36%	0.363	S	S	.	.			trans	-87.9	106.9	-176.3	-74.3	168.3	0	0	0	109.3	N245 H248 E252	N245-L250 PolarHBondContact O-N 2.89Å; H248-L250 HydrophobicContact CB-CD1 3.76Å; H248-L250 HydrophobicContact CB-CG 3.97Å; H248-L250 PolarHBondContact O-N 3.3Å; H248-L250 VanDerWaalsContact O-N 3.07Å; L250-E252 PolarHBondContact O-N 2.96Å
251	N	66.1	Low	77.5	Confident	123 Å²	123	72.9 Å²	72.9	66%	0.658	36%	0.361	S	S	*	.			trans	50	52.5	167.7	-66.8	-15.4	0	0	0	115.7	N249 N253 S254	N249-N251 PolarHBondContact O-N 3.2Å; N251-N253 PolarHBondContact O-N 3.18Å; N251-S254 VanDerWaalsContact O-CB 3.31Å; N251-S254 WeakPolarHBondContact O-CB 3.43Å; N251-S254 PolarHBondContact O-N 3.06Å; N251-S254 PolarHBondContact O-OG 2.96Å
252	E	66.2	Low	77.5	Confident	93 Å²	93	74.3 Å²	74.3	44%	0.435	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-29.5	171.1	-68.3	-179.2	173.7	0	0	112.8	L250 S254 F257	L250-E252 PolarHBondContact O-N 2.96Å; E252-S254 VanDerWaalsContact C-N 3.32Å; E252-S254 PolarHBondContact O-N 3.42Å; E252-F257 WeakPolarHBondContact O-CD1 3.38Å
253	N	71.6	Confident	77.6	Confident	149 Å²	149	74.3 Å²	74.3	80%	0.797	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	1.7	178.4	-66	-25.2	0	0	0	114.3	N251	N251-N253 PolarHBondContact O-N 3.18Å
254	S	82.3	Confident	77.9	Confident	25 Å²	25	71.3 Å²	71.3	18%	0.175	36%	0.357	C	S	.	.			trans	-66.8	140	175.8	61.2	0	0	0	0	110.5	N251 E252 E256 F257 I258	N251-S254 VanDerWaalsContact O-CB 3.31Å; N251-S254 WeakPolarHBondContact O-CB 3.43Å; N251-S254 PolarHBondContact O-N 3.06Å; N251-S254 PolarHBondContact O-OG 2.96Å; E252-S254 VanDerWaalsContact C-N 3.32Å; E252-S254 PolarHBondContact O-N 3.42Å; S254-E256 PolarHBondContact O-N 3.2Å; S254-F257 PolarHBondContact O-N 3.36Å; S254-F257 VanDerWaalsContact O-N 3.14Å; S254-F257 WeakPolarHBondContact OG-CB 3.11Å; S254-F257 PolarHBondContact OG-N 3Å; S254-I258 WeakPolarHBondContact O-CG1 3.32Å; S254-I258 PolarHBondContact O-N 2.75Å
255	I	83.7	Confident	78.1	Confident	107 Å²	107	66.2 Å²	66.2	55%	0.549	33%	0.334	S	S	.	.	H	α-helix	trans	-57	-34.9	175	-64	170.5	0	0	0	110.3	Y205 K259	Y205-I255 HydrophobicContact CE2-CG2 4.48Å; I255-K259 HydrophobicContact CG2-CD 3.74Å; I255-K259 HydrophobicContact CG2-CG 4.15Å; I255-K259 VanDerWaalsContact O-CB 3.26Å; I255-K259 WeakPolarHBondContact O-CB 3.46Å; I255-K259 WeakPolarHBondContact O-CG 3.28Å; I255-K259 PolarHBondContact O-N 2.94Å
256	E	83.3	Confident	78.3	Confident	73 Å²	73	70 Å²	70	34%	0.341	35%	0.349	S	S	.	.	H	α-helix	trans	-57.5	-53.6	174.7	-75.3	144.2	-162.5	0	0	112.2	Y205 S254 T260	Y205-E256 HydrophobicContact CD1-CB 4.09Å; Y205-E256 HydrophobicContact CD1-CG 3.56Å; Y205-E256 HydrophobicContact CE1-CB 4.22Å; Y205-E256 HydrophobicContact CE1-CG 3.21Å; S254-E256 PolarHBondContact O-N 3.2Å; E256-T260 WeakPolarHBondContact O-CB 3.47Å; E256-T260 PolarHBondContact O-N 3.42Å; E256-T260 PolarHBondContact O-OG1 3.44Å
257	F	84.3	Confident	78.9	Confident	8 Å²	8	69 Å²	69	4%	0.035	34%	0.343	C	S	.	.	H	α-helix	trans	-63.6	-49.3	179.9	-173.6	-95.1	0	0	0	111.1	L242 N245 E252 S254 K259 T260 K261	L242-F257 HydrophobicContact CD2-CD2 3.69Å; L242-F257 HydrophobicContact CD2-CE2 3.68Å; L242-F257 HydrophobicContact CD2-CG 4.29Å; L242-F257 HydrophobicContact CD2-CZ 4.27Å; N245-F257 HydrophobicContact CB-CD2 3.85Å; N245-F257 HydrophobicContact CB-CE2 3.8Å; E252-F257 WeakPolarHBondContact O-CD1 3.38Å; S254-F257 PolarHBondContact O-N 3.36Å; S254-F257 VanDerWaalsContact O-N 3.14Å; S254-F257 WeakPolarHBondContact OG-CB 3.11Å; S254-F257 PolarHBondContact OG-N 3Å; F257-K259 PolarHBondContact O-N 3.41Å; F257-T260 PolarHBondContact O-N 3.38Å; F257-K261 HydrophobicContact CE1-CD 4.31Å; F257-K261 VanDerWaalsContact O-CB 3.23Å; F257-K261 WeakPolarHBondContact O-CB 3.42Å; F257-K261 PolarHBondContact O-N 3.41Å
258	I	84.5	Confident	79.8	Confident	78 Å²	78	64.9 Å²	64.9	40%	0.4	32%	0.321	S	S	.	.	H	α-helix	trans	-59.5	-50.1	-179.2	-64.1	168.9	0	0	0	110.9	S254 T260 K261 E262	S254-I258 WeakPolarHBondContact O-CG1 3.32Å; S254-I258 PolarHBondContact O-N 2.75Å; I258-T260 PolarHBondContact O-N 2.92Å; I258-K261 WeakPolarHBondContact O-CB 3.16Å; I258-K261 PolarHBondContact O-N 3.2Å; I258-E262 WeakPolarHBondContact O-CG 3.34Å; I258-E262 PolarHBondContact O-N 3.37Å
259	K	87.1	Confident	81	Confident	87 Å²	87	58.8 Å²	58.8	38%	0.378	29%	0.293	S	S	.	.	H	α-helix	trans	-70.2	-33.4	-178.4	-73.6	-174.6	174.7	-175.7	0	112.9	Y205 I255 F257 K261 E262 M263	Y205-K259 HydrophobicContact CD2-CB 4.15Å; Y205-K259 HydrophobicContact CD2-CD 3.66Å; Y205-K259 HydrophobicContact CE2-CD 4.26Å; Y205-K259 HydrophobicContact CG-CB 4.32Å; I255-K259 HydrophobicContact CG2-CD 3.74Å; I255-K259 HydrophobicContact CG2-CG 4.15Å; I255-K259 VanDerWaalsContact O-CB 3.26Å; I255-K259 WeakPolarHBondContact O-CB 3.46Å; I255-K259 WeakPolarHBondContact O-CG 3.28Å; I255-K259 PolarHBondContact O-N 2.94Å; F257-K259 PolarHBondContact O-N 3.41Å; K259-K261 VanDerWaalsContact C-N 3.34Å; K259-E262 PolarHBondContact O-N 3.26Å; K259-M263 VanDerWaalsContact O-CB 3.31Å; K259-M263 WeakPolarHBondContact O-CB 3.49Å; K259-M263 PolarHBondContact O-N 3.22Å
260	T	86.6	Confident	82.2	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-68	-38.5	175.2	-56.9	0	0	0	0	110.9	I238 F241 L242 E256 F257 I258 M263 L264	I238-T260 HydrophobicContact CG2-CG2 3.82Å; F241-T260 HydrophobicContact CD1-CG2 4.03Å; F241-T260 HydrophobicContact CE1-CG2 4.35Å; L242-T260 HydrophobicContact CD1-CG2 4.19Å; L242-T260 HydrophobicContact CD2-CG2 4Å; L242-T260 HydrophobicContact CG-CG2 4.02Å; E256-T260 WeakPolarHBondContact O-CB 3.47Å; E256-T260 PolarHBondContact O-N 3.42Å; E256-T260 PolarHBondContact O-OG1 3.44Å; F257-T260 PolarHBondContact O-N 3.38Å; I258-T260 PolarHBondContact O-N 2.92Å; T260-M263 PolarHBondContact O-N 2.94Å; T260-L264 PolarHBondContact O-N 2.86Å
261	K	87	Confident	83.6	Confident	54 Å²	54	48.2 Å²	48.2	24%	0.235	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-46	172.4	-176.4	178.3	178.5	175.9	0	111.6	L242 F257 I258 K259 M263 L264 F265 D298	L242-K261 HydrophobicContact CD2-CB 4.3Å; F257-K261 HydrophobicContact CE1-CD 4.31Å; F257-K261 VanDerWaalsContact O-CB 3.23Å; F257-K261 WeakPolarHBondContact O-CB 3.42Å; F257-K261 PolarHBondContact O-N 3.41Å; I258-K261 WeakPolarHBondContact O-CB 3.16Å; I258-K261 PolarHBondContact O-N 3.2Å; K259-K261 VanDerWaalsContact C-N 3.34Å; K261-M263 PolarHBondContact O-N 2.95Å; K261-L264 PolarHBondContact O-N 3.48Å; K261-F265 HydrophobicContact CG-CD2 3.66Å; K261-F265 HydrophobicContact CG-CE2 3.69Å; K261-F265 VanDerWaalsContact O-CD2 3.28Å; K261-F265 WeakPolarHBondContact O-CD2 3.37Å; K261-F265 PolarHBondContact O-N 3.13Å; K261-D298 WeakPolarHBondContact CE-OD1 3.28Å; K261-D298 WeakPolarHBondContact CE-OD2 3.1Å; K261-D298 IonicContact NZ-OD1 3.27Å; K261-D298 PolarHBondContact NZ-OD1 2.89Å; K261-D298 IonicContact NZ-OD2 2.74Å; K261-D298 PolarHBondContact NZ-OD2 2.8Å
262	E	86	Confident	84.7	Confident	61 Å²	61	42.4 Å²	42.4	29%	0.285	21%	0.207	S	C	.	.	H	α-helix	trans	-59.5	-45.4	172.9	-72.7	-166.8	136.7	0	0	112.1	Y208 I258 K259 L264 F265 K266	Y208-E262 HydrophobicContact CE1-CB 4.07Å; I258-E262 WeakPolarHBondContact O-CG 3.34Å; I258-E262 PolarHBondContact O-N 3.37Å; K259-E262 PolarHBondContact O-N 3.26Å; E262-L264 VanDerWaalsContact C-N 3.33Å; E262-L264 PolarHBondContact O-N 3.3Å; E262-F265 PolarHBondContact O-N 3.5Å; E262-K266 HydrophobicContact CB-CD 4.21Å; E262-K266 HydrophobicContact CG-CD 4.29Å; E262-K266 WeakPolarHBondContact O-CA 3.47Å; E262-K266 WeakPolarHBondContact O-CB 3.4Å; E262-K266 PolarHBondContact O-N 3.17Å; E262-K266 IonicContact OE1-NZ 3.28Å; E262-K266 PolarHBondContact OE1-NZ 2.89Å
263	M	87.6	Confident	85.7	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	I	π-helix	trans	-59.4	-43.8	177.8	-175.6	-167.6	164.4	0	0	111.7	Y208 I216 I238 K259 T260 K261 K267 F268	Y208-M263 HydrophobicContact CD2-CB 3.86Å; Y208-M263 HydrophobicContact CD2-CG 3.98Å; Y208-M263 HydrophobicContact CE2-CB 4.41Å; Y208-M263 HydrophobicContact CG-CB 4.16Å; Y208-M263 HydrophobicContact CG-CG 4.49Å; I216-M263 HydrophobicContact CD1-CE 3.64Å; I238-M263 HydrophobicContact CD1-CE 3.79Å; I238-M263 HydrophobicContact CD1-SD 4.06Å; K259-M263 VanDerWaalsContact O-CB 3.31Å; K259-M263 WeakPolarHBondContact O-CB 3.49Å; K259-M263 PolarHBondContact O-N 3.22Å; T260-M263 PolarHBondContact O-N 2.94Å; K261-M263 PolarHBondContact O-N 2.95Å; M263-K267 WeakPolarHBondContact O-CB 3.38Å; M263-K267 PolarHBondContact O-N 3.35Å; M263-F268 HydrophobicContact CE-CD2 4.44Å; M263-F268 PolarHBondContact O-N 3.02Å
264	L	89.4	Confident	86.3	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	I	π-helix	trans	-63	-52	178.2	-179.3	62.3	0	0	0	111.7	L235 I238 L242 T260 K261 E262 F268 W269	L235-L264 HydrophobicContact CD1-CD1 3.59Å; I238-L264 HydrophobicContact CG2-CB 4.04Å; I238-L264 HydrophobicContact CG2-CD1 4.09Å; I238-L264 HydrophobicContact CG2-CD2 4.41Å; I238-L264 HydrophobicContact CG2-CG 4.4Å; L242-L264 HydrophobicContact CD1-CB 4.17Å; L242-L264 HydrophobicContact CD1-CD2 3.59Å; T260-L264 PolarHBondContact O-N 2.86Å; K261-L264 PolarHBondContact O-N 3.48Å; E262-L264 VanDerWaalsContact C-N 3.33Å; E262-L264 PolarHBondContact O-N 3.3Å; L264-F268 HydrophobicContact CD1-CB 4.42Å; L264-F268 WeakPolarHBondContact O-CB 3.13Å; L264-F268 PolarHBondContact O-N 3.45Å; L264-W269 VanDerWaalsContact O-CD1 3.31Å; L264-W269 PolarHBondContact O-N 3.28Å
265	F	86.7	Confident	86.4	Confident	10 Å²	10	30 Å²	30	4%	0.044	14%	0.141	C	C	.	.	I	π-helix	trans	-87.4	-33.9	-170.3	-64.1	-54.9	0	0	0	114.1	K261 E262 W269 P270 I297 D298 N300 I302	K261-F265 HydrophobicContact CG-CD2 3.66Å; K261-F265 HydrophobicContact CG-CE2 3.69Å; K261-F265 VanDerWaalsContact O-CD2 3.28Å; K261-F265 WeakPolarHBondContact O-CD2 3.37Å; K261-F265 PolarHBondContact O-N 3.13Å; E262-F265 PolarHBondContact O-N 3.5Å; F265-W269 AromaticContact CD1-CD1 3.87Å; F265-P270 VanDerWaalsContact O-CD 3.29Å; F265-P270 WeakPolarHBondContact O-CD 3.43Å; F265-I297 HydrophobicContact CE2-CG2 4.48Å; F265-I297 HydrophobicContact CZ-CG2 4.49Å; F265-D298 HydrophobicContact CE2-CB 3.55Å; F265-D298 HydrophobicContact CZ-CB 3.75Å; F265-N300 HydrophobicContact CD1-CB 4.02Å; F265-N300 HydrophobicContact CE1-CB 3.77Å; F265-N300 HydrophobicContact CE2-CB 4.33Å; F265-N300 HydrophobicContact CG-CB 4.39Å; F265-N300 WeakPolarHBondContact CG-ND2 3.16Å; F265-N300 HydrophobicContact CZ-CB 3.95Å; F265-I302 HydrophobicContact CB-CG2 4.3Å; F265-I302 HydrophobicContact CD1-CG2 3.53Å; F265-I302 HydrophobicContact CE1-CG2 4.34Å; F265-I302 HydrophobicContact CG-CG2 4.37Å; F265-I302 WeakPolarHBondContact O-CD1 3.48Å
266	K	83.9	Confident	85.9	Confident	115 Å²	115	27.6 Å²	27.6	50%	0.5	13%	0.13	S	C	.	.	I	π-helix	trans	-88.2	-27.5	-178.3	-61.5	-178.3	175.2	173.9	0	113.6	E262	E262-K266 HydrophobicContact CB-CD 4.21Å; E262-K266 HydrophobicContact CG-CD 4.29Å; E262-K266 WeakPolarHBondContact O-CA 3.47Å; E262-K266 WeakPolarHBondContact O-CB 3.4Å; E262-K266 PolarHBondContact O-N 3.17Å; E262-K266 IonicContact OE1-NZ 3.28Å; E262-K266 PolarHBondContact OE1-NZ 2.89Å
267	K	85.7	Confident	85.4	Confident	15 Å²	15	27.5 Å²	27.5	7%	0.065	13%	0.131	C	C	.	.	I	π-helix	trans	-116.2	-59.9	-178.2	-177.5	65.5	163	174.1	0	112.4	Y208 D213 D217 M263 P270 S271	Y208-K267 HydrophobicContact CE2-CB 4.38Å; D213-K267 WeakPolarHBondContact O-CE 3.32Å; D213-K267 WeakPolarHBondContact OD1-CG 3.3Å; D213-K267 WeakPolarHBondContact OD2-CE 3.44Å; D217-K267 WeakPolarHBondContact OD1-CE 3.49Å; D217-K267 IonicContact OD1-NZ 3.67Å; D217-K267 PolarHBondContact OD1-NZ 2.91Å; D217-K267 VanDerWaalsContact OD1-NZ 3.15Å; D217-K267 IonicContact OD2-NZ 2.64Å; D217-K267 PolarHBondContact OD2-NZ 2.75Å; M263-K267 WeakPolarHBondContact O-CB 3.38Å; M263-K267 PolarHBondContact O-N 3.35Å; K267-P270 WeakPolarHBondContact O-CD 3.47Å; K267-S271 WeakPolarHBondContact O-CB 3.48Å; K267-S271 PolarHBondContact O-N 3.32Å; K267-S271 PolarHBondContact O-OG 2.95Å
268	F	89.4	Confident	84.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.163	C	C	.	.	I	π-helix	trans	-64.7	-53.5	-165	-152.2	-84.2	0	0	0	113.4	I216 I231 R234 L235 M263 L264 S271 L272	I216-F268 HydrophobicContact CD1-CD2 4.09Å; I216-F268 HydrophobicContact CD1-CE2 4.24Å; I216-F268 HydrophobicContact CG2-CD2 3.92Å; I216-F268 HydrophobicContact CG2-CE2 3.73Å; I231-F268 HydrophobicContact CB-CZ 4.47Å; I231-F268 HydrophobicContact CG2-CE1 3.96Å; I231-F268 HydrophobicContact CG2-CE2 4.42Å; I231-F268 HydrophobicContact CG2-CZ 3.52Å; I231-F268 VanDerWaalsContact O-CZ 3.29Å; I231-F268 WeakPolarHBondContact O-CZ 3.23Å; R234-F268 HydrophobicContact CB-CE2 4.27Å; R234-F268 HydrophobicContact CB-CZ 4.23Å; R234-F268 HydrophobicContact CG-CE2 4.13Å; L235-F268 HydrophobicContact CB-CD1 4.3Å; L235-F268 HydrophobicContact CB-CE1 3.54Å; L235-F268 HydrophobicContact CB-CZ 4.06Å; L235-F268 HydrophobicContact CD1-CD1 3.65Å; L235-F268 HydrophobicContact CD1-CE1 3.79Å; L235-F268 HydrophobicContact CD2-CE1 4.42Å; L235-F268 HydrophobicContact CG-CD1 4.45Å; L235-F268 HydrophobicContact CG-CE1 4.09Å; M263-F268 HydrophobicContact CE-CD2 4.44Å; M263-F268 PolarHBondContact O-N 3.02Å; L264-F268 HydrophobicContact CD1-CB 4.42Å; L264-F268 WeakPolarHBondContact O-CB 3.13Å; L264-F268 PolarHBondContact O-N 3.45Å; F268-S271 PolarHBondContact O-N 3.02Å; F268-L272 HydrophobicContact CD1-CD1 3.77Å; F268-L272 HydrophobicContact CD1-CG 4.12Å; F268-L272 HydrophobicContact CE1-CD1 3.82Å; F268-L272 HydrophobicContact CE1-CD2 4.25Å; F268-L272 HydrophobicContact CE1-CG 4.09Å; F268-L272 WeakPolarHBondContact O-CG 3.32Å; F268-L272 PolarHBondContact O-N 3.42Å
269	W	89.8	Confident	84.5	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.5	-46.5	177.2	-79.6	118.1	0	0	0	112.9	L235 L264 F265 L272 L287 C291 S294 I302 C303 T306	L235-W269 HydrophobicContact CD1-CH2 4.49Å; L235-W269 HydrophobicContact CD1-CZ2 3.99Å; L235-W269 HydrophobicContact CD2-CH2 4.02Å; L235-W269 HydrophobicContact CD2-CZ2 4.3Å; L264-W269 VanDerWaalsContact O-CD1 3.31Å; L264-W269 PolarHBondContact O-N 3.28Å; F265-W269 AromaticContact CD1-CD1 3.87Å; W269-L272 HydrophobicContact CD2-CD1 4.44Å; W269-L272 HydrophobicContact CE3-CD1 3.77Å; W269-L272 HydrophobicContact CZ3-CD1 3.95Å; W269-L272 PolarHBondContact O-N 3.17Å; W269-L287 HydrophobicContact CZ3-CD2 4.38Å; W269-C291 HydrophobicContact CH2-CB 3.77Å; W269-C291 HydrophobicContact CZ2-CB 4.15Å; W269-C291 HydrophobicContact CZ3-CB 4.49Å; W269-S294 WeakPolarHBondContact CZ2-OG 3.19Å; W269-S294 PolarHBondContact NE1-OG 2.8Å; W269-I302 HydrophobicContact CB-CG1 4.38Å; W269-I302 HydrophobicContact CB-CG2 3.77Å; W269-I302 HydrophobicContact CG-CG2 4Å; W269-C303 HydrophobicContact CD2-CB 3.38Å; W269-C303 HydrophobicContact CE3-CB 3.57Å; W269-C303 HydrophobicContact CG-CB 4.03Å; W269-C303 HydrophobicContact CH2-CB 3.69Å; W269-C303 HydrophobicContact CZ2-CB 3.48Å; W269-C303 VanDerWaalsContact CZ2-CB 3.48Å; W269-C303 HydrophobicContact CZ3-CB 3.72Å; W269-T306 HydrophobicContact CE3-CG2 4.09Å; W269-T306 VanDerWaalsContact O-CG2 3.22Å; W269-T306 WeakPolarHBondContact O-CG2 3.23Å; W269-T306 PolarHBondContact O-OG1 3.46Å
270	P	86.8	Confident	84	Confident	9 Å²	9	30.8 Å²	30.8	6%	0.058	15%	0.149	C	C	.	.	H	α-helix	trans	-56.2	-48.5	172.1	-31.6	38.6	0	0	0	113.8	F265 K267 L272 S273 I302 L480	F265-P270 VanDerWaalsContact O-CD 3.29Å; F265-P270 WeakPolarHBondContact O-CD 3.43Å; K267-P270 WeakPolarHBondContact O-CD 3.47Å; P270-L272 VanDerWaalsContact C-N 3.28Å; P270-L272 PolarHBondContact O-N 2.87Å; P270-S273 VanDerWaalsContact O-CB 3.3Å; P270-S273 WeakPolarHBondContact O-CB 3.33Å; P270-S273 PolarHBondContact O-N 3.06Å; P270-S273 PolarHBondContact O-OG 3.38Å; P270-I302 HydrophobicContact CG-CD1 3.89Å; P270-I302 HydrophobicContact CG-CG1 4.32Å; P270-L480 HydrophobicContact CB-CD2 4.03Å
271	S	87.7	Confident	83.5	Confident	4 Å²	4	35.2 Å²	35.2	3%	0.028	17%	0.172	C	C	.	.	H	α-helix	trans	-62.1	-35.2	-179.8	-63.6	0	0	0	0	112.5	D217 K267 F268 S273 H274	D217-S271 WeakPolarHBondContact OD1-CB 3.05Å; D217-S271 PolarHBondContact OD1-OG 3.48Å; K267-S271 WeakPolarHBondContact O-CB 3.48Å; K267-S271 PolarHBondContact O-N 3.32Å; K267-S271 PolarHBondContact O-OG 2.95Å; F268-S271 PolarHBondContact O-N 3.02Å; S271-S273 PolarHBondContact O-N 3.23Å; S271-S273 VanDerWaalsContact O-N 3.12Å; S271-H274 VanDerWaalsContact O-CB 3.23Å; S271-H274 WeakPolarHBondContact O-CB 3.26Å; S271-H274 PolarHBondContact O-N 3.14Å
272	L	90.2	Very high	83.2	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-60.2	-22.8	175.9	-75.4	172.5	0	0	0	113	I220 I231 L235 F268 W269 P270 H274 I275 L287 T306 L310	I220-L272 HydrophobicContact CD1-CD2 4.18Å; I220-L272 HydrophobicContact CD1-CG 4.47Å; I220-L272 HydrophobicContact CG1-CD2 4.39Å; I231-L272 HydrophobicContact CG2-CD2 3.78Å; L235-L272 HydrophobicContact CD2-CD1 4.08Å; F268-L272 HydrophobicContact CD1-CD1 3.77Å; F268-L272 HydrophobicContact CD1-CG 4.12Å; F268-L272 HydrophobicContact CE1-CD1 3.82Å; F268-L272 HydrophobicContact CE1-CD2 4.25Å; F268-L272 HydrophobicContact CE1-CG 4.09Å; F268-L272 WeakPolarHBondContact O-CG 3.32Å; F268-L272 PolarHBondContact O-N 3.42Å; W269-L272 HydrophobicContact CD2-CD1 4.44Å; W269-L272 HydrophobicContact CE3-CD1 3.77Å; W269-L272 HydrophobicContact CZ3-CD1 3.95Å; W269-L272 PolarHBondContact O-N 3.17Å; P270-L272 VanDerWaalsContact C-N 3.28Å; P270-L272 PolarHBondContact O-N 2.87Å; L272-H274 PolarHBondContact O-N 3.47Å; L272-I275 HydrophobicContact CD2-CD1 3.84Å; L272-I275 WeakPolarHBondContact O-CD1 3.24Å; L272-I275 VanDerWaalsContact O-CG1 3.31Å; L272-I275 WeakPolarHBondContact O-CG1 3.37Å; L272-I275 PolarHBondContact O-N 3.27Å; L272-L287 HydrophobicContact CD1-CD2 3.93Å; L272-T306 HydrophobicContact CB-CG2 3.69Å; L272-L310 WeakPolarHBondContact O-CD2 3.47Å
273	S	85.8	Confident	83.2	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.7	174.1	74.1	0	0	0	0	113.2	P270 S271 R313 I478	P270-S273 VanDerWaalsContact O-CB 3.3Å; P270-S273 WeakPolarHBondContact O-CB 3.33Å; P270-S273 PolarHBondContact O-N 3.06Å; P270-S273 PolarHBondContact O-OG 3.38Å; S271-S273 PolarHBondContact O-N 3.23Å; S271-S273 VanDerWaalsContact O-N 3.12Å; S273-R313 PolarHBondContact O-NH1 3.44Å; S273-R313 VanDerWaalsContact O-NH1 3.08Å; S273-R313 PolarHBondContact O-NH2 3.34Å; S273-I478 WeakPolarHBondContact O-CD1 3.44Å; S273-I478 WeakPolarHBondContact OG-CG2 3.05Å
274	H	83.7	Confident	82.9	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.009	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-3.9	-179.8	-56.6	167.1	0	0	0	113.2	I220 S271 L272 N276 Y475 I478	I220-H274 HydrophobicContact CG2-CB 4.25Å; S271-H274 VanDerWaalsContact O-CB 3.23Å; S271-H274 WeakPolarHBondContact O-CB 3.26Å; S271-H274 PolarHBondContact O-N 3.14Å; L272-H274 PolarHBondContact O-N 3.47Å; H274-N276 PolarHBondContact O-N 3.22Å; H274-N276 PolarHBondContact O-OD1 3.34Å; H274-Y475 PolarHBondContact CE1-OH 3.33Å; H274-Y475 AromaticContact NE2-CE2 3.58Å; H274-Y475 AromaticContact NE2-CZ 3.59Å; H274-Y475 PolarHBondContact NE2-OH 3.36Å; H274-I478 WeakPolarHBondContact CD2-CD1 3.36Å
275	I	84.6	Confident	82.4	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.021	19%	0.194	C	C	.	.			trans	-59.8	115.4	177.6	-61.3	165.9	0	0	0	109.4	I220 L228 L272 N277 L279 L310 R313	I220-I275 HydrophobicContact CG2-CG1 3.67Å; L228-I275 HydrophobicContact CD2-CD1 4.27Å; L228-I275 HydrophobicContact CD2-CG1 4.36Å; L272-I275 HydrophobicContact CD2-CD1 3.84Å; L272-I275 WeakPolarHBondContact O-CD1 3.24Å; L272-I275 VanDerWaalsContact O-CG1 3.31Å; L272-I275 WeakPolarHBondContact O-CG1 3.37Å; L272-I275 PolarHBondContact O-N 3.27Å; I275-N277 WeakPolarHBondContact CG2-O 3.43Å; I275-L279 HydrophobicContact CD1-CD1 4.07Å; I275-L279 HydrophobicContact CD1-CD2 4.26Å; I275-L279 HydrophobicContact CG2-CD1 4.5Å; I275-L279 HydrophobicContact CG2-CD2 4.15Å; I275-L279 HydrophobicContact CG2-CG 4.14Å; I275-L310 HydrophobicContact CB-CD2 3.85Å; I275-R313 PolarHBondContact O-NH1 2.65Å
276	N	74.3	Confident	82.4	Confident	57 Å²	57	42.4 Å²	42.4	31%	0.305	21%	0.212	S	C	.	.			trans	-85.3	-30.3	176.8	-71.8	-21.7	0	0	0	112.4	H274 L513	H274-N276 PolarHBondContact O-N 3.22Å; H274-N276 PolarHBondContact O-OD1 3.34Å; N276-L513 PolarHBondContact ND2-O 3.34Å
277	N	71.5	Confident	82.6	Confident	70 Å²	70	37 Å²	37	37%	0.374	19%	0.188	S	C	.	.	S	Bend	trans	-78.3	151	-175.2	-75.1	-2.7	0	0	0	112.3	G223 I275 L279	G223-N277 VanDerWaalsContact C-ND2 3.28Å; G223-N277 WeakPolarHBondContact CA-ND2 3.37Å; G223-N277 PolarHBondContact O-ND2 3.49Å; I275-N277 WeakPolarHBondContact CG2-O 3.43Å; N277-L279 PolarHBondContact O-N 3.08Å; N277-L279 VanDerWaalsContact O-N 3.13Å
278	Q	73	Confident	82.5	Confident	151 Å²	151	37.2 Å²	37.2	71%	0.706	19%	0.189	S	C	*	.			trans	-68.4	112.1	174.2	-68.5	-176.9	-11	0	0	109.5
279	L	78.1	Confident	82.2	Confident	22 Å²	22	42.6 Å²	42.6	12%	0.115	21%	0.214	C	C	.	.			trans	-66.4	138.6	172.2	-67.8	170.3	0	0	0	109.9	L228 I275 N277 Q283 M284 L287 L310	L228-L279 HydrophobicContact CD1-CD2 3.89Å; I275-L279 HydrophobicContact CD1-CD1 4.07Å; I275-L279 HydrophobicContact CD1-CD2 4.26Å; I275-L279 HydrophobicContact CG2-CD1 4.5Å; I275-L279 HydrophobicContact CG2-CD2 4.15Å; I275-L279 HydrophobicContact CG2-CG 4.14Å; N277-L279 PolarHBondContact O-N 3.08Å; N277-L279 VanDerWaalsContact O-N 3.13Å; L279-Q283 HydrophobicContact CB-CB 4.39Å; L279-Q283 HydrophobicContact CD2-CB 4.24Å; L279-M284 HydrophobicContact CB-CG 3.81Å; L279-M284 HydrophobicContact CB-SD 3.88Å; L279-M284 HydrophobicContact CD1-CG 4.47Å; L279-M284 HydrophobicContact CD1-SD 3.5Å; L279-M284 VanDerWaalsContact CD1-SD 3.5Å; L279-M284 HydrophobicContact CG-SD 4.34Å; L279-L287 HydrophobicContact CD1-CD1 3.54Å; L279-L310 HydrophobicContact CD1-CD1 4.12Å
280	N	76.8	Confident	82.2	Confident	69 Å²	69	43 Å²	43	37%	0.369	22%	0.217	S	C	.	.			trans	-71.4	164.8	172.8	71.2	33.1	0	0	0	110.3	D282 Q283 M284	N280-D282 PolarHBondContact O-N 3.25Å; N280-D282 PolarHBondContact OD1-N 3.43Å; N280-Q283 VanDerWaalsContact CG-CD 3.48Å; N280-Q283 PolarHBondContact O-N 3.21Å; N280-Q283 VanDerWaalsContact OD1-CB 3.22Å; N280-Q283 WeakPolarHBondContact OD1-CB 3.42Å; N280-Q283 WeakPolarHBondContact OD1-CG 3.35Å; N280-Q283 PolarHBondContact OD1-N 2.88Å; N280-M284 PolarHBondContact O-N 3.14Å
281	I	75.8	Confident	82.2	Confident	95 Å²	95	42.7 Å²	42.7	49%	0.487	22%	0.215	S	C	.	.	H	α-helix	trans	-61	-37.2	-175.3	-64.6	171.5	0	0	0	111.2	M284 N285 F320	I281-M284 PolarHBondContact O-N 2.86Å; I281-N285 WeakPolarHBondContact O-CB 3.23Å; I281-N285 VanDerWaalsContact O-CG 3.23Å; I281-N285 PolarHBondContact O-N 3.5Å; I281-N285 PolarHBondContact O-ND2 2.75Å; I281-F320 HydrophobicContact CD1-CE1 4.07Å; I281-F320 HydrophobicContact CG1-CE1 4.02Å
282	D	81	Confident	81.9	Confident	108 Å²	108	46.8 Å²	46.8	58%	0.578	23%	0.233	S	C	*	.	H	α-helix	trans	-69.2	-42.1	-178.4	-62.9	-33.6	0	0	0	111.8	N280 N285 Q286	N280-D282 PolarHBondContact O-N 3.25Å; N280-D282 PolarHBondContact OD1-N 3.43Å; D282-N285 PolarHBondContact O-N 2.84Å; D282-Q286 WeakPolarHBondContact O-CG 3.02Å; D282-Q286 PolarHBondContact O-N 3.35Å
283	Q	85	Confident	81.7	Confident	12 Å²	12	49.9 Å²	49.9	6%	0.056	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-42.6	173.7	-71.2	168.5	-18	0	0	110.8	N225 L232 L279 N280 Q286 L287	N225-Q283 PolarHBondContact OD1-NE2 3.04Å; L232-Q283 HydrophobicContact CD1-CB 3.86Å; L232-Q283 HydrophobicContact CD1-CG 3.57Å; L279-Q283 HydrophobicContact CB-CB 4.39Å; L279-Q283 HydrophobicContact CD2-CB 4.24Å; N280-Q283 VanDerWaalsContact CG-CD 3.48Å; N280-Q283 PolarHBondContact O-N 3.21Å; N280-Q283 VanDerWaalsContact OD1-CB 3.22Å; N280-Q283 WeakPolarHBondContact OD1-CB 3.42Å; N280-Q283 WeakPolarHBondContact OD1-CG 3.35Å; N280-Q283 PolarHBondContact OD1-N 2.88Å; Q283-Q286 PolarHBondContact O-N 3.36Å; Q283-L287 WeakPolarHBondContact O-CG 3.25Å; Q283-L287 PolarHBondContact O-N 2.86Å
284	M	81.8	Confident	81.7	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-63.2	-41.3	174.6	-75.2	-60.5	-66.5	0	0	112.3	L279 N280 I281 L287 Y288 L307 N311 I314 Y322	L279-M284 HydrophobicContact CB-CG 3.81Å; L279-M284 HydrophobicContact CB-SD 3.88Å; L279-M284 HydrophobicContact CD1-CG 4.47Å; L279-M284 HydrophobicContact CD1-SD 3.5Å; L279-M284 VanDerWaalsContact CD1-SD 3.5Å; L279-M284 HydrophobicContact CG-SD 4.34Å; N280-M284 PolarHBondContact O-N 3.14Å; I281-M284 PolarHBondContact O-N 2.86Å; M284-L287 PolarHBondContact O-N 3.3Å; M284-L287 HydrophobicContact SD-CD1 4.25Å; M284-Y288 WeakPolarHBondContact O-CB 3.48Å; M284-Y288 PolarHBondContact O-N 2.85Å; M284-L307 HydrophobicContact CE-CD2 4.38Å; M284-N311 WeakPolarHBondContact CE-OD1 2.92Å; M284-I314 HydrophobicContact CE-CD1 4.23Å; M284-I314 HydrophobicContact SD-CD1 4.43Å; M284-Y322 HydrophobicContact CB-CE1 4.34Å; M284-Y322 HydrophobicContact CE-CD2 4.48Å; M284-Y322 HydrophobicContact CE-CE2 3.86Å
285	N	79.8	Confident	81.6	Confident	62 Å²	62	50.9 Å²	50.9	33%	0.332	25%	0.252	S	S	.	.	H	α-helix	trans	-63.8	-40.8	175.6	-72.6	-26.9	0	0	0	111.7	I281 D282 Y288 Q289	I281-N285 WeakPolarHBondContact O-CB 3.23Å; I281-N285 VanDerWaalsContact O-CG 3.23Å; I281-N285 PolarHBondContact O-N 3.5Å; I281-N285 PolarHBondContact O-ND2 2.75Å; D282-N285 PolarHBondContact O-N 2.84Å; N285-Y288 PolarHBondContact O-N 3.09Å; N285-Q289 WeakPolarHBondContact O-CG 3.03Å; N285-Q289 PolarHBondContact O-N 2.9Å
286	Q	85.6	Confident	81.4	Confident	91 Å²	91	54.9 Å²	54.9	43%	0.425	27%	0.272	S	S	.	.	H	α-helix	trans	-63.9	-41.1	175.7	-73.7	177.7	2	0	0	112.4	D282 Q283 Q289 S290	D282-Q286 WeakPolarHBondContact O-CG 3.02Å; D282-Q286 PolarHBondContact O-N 3.35Å; Q283-Q286 PolarHBondContact O-N 3.36Å; Q286-Q289 PolarHBondContact O-N 3.38Å; Q286-S290 WeakPolarHBondContact O-CB 3.44Å; Q286-S290 PolarHBondContact O-N 3.33Å; Q286-S290 PolarHBondContact O-OG 3.4Å
287	L	88.1	Confident	81.5	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-43.7	174.4	-75.7	173.5	0	0	0	111.4	L232 L235 W269 L272 L279 Q283 M284 S290 C291 L307 L310	L232-L287 HydrophobicContact CD2-CD2 3.49Å; L232-L287 VanDerWaalsContact CD2-CD2 3.49Å; L232-L287 HydrophobicContact CD2-CG 3.74Å; L235-L287 HydrophobicContact CD2-CD2 3.63Å; W269-L287 HydrophobicContact CZ3-CD2 4.38Å; L272-L287 HydrophobicContact CD1-CD2 3.93Å; L279-L287 HydrophobicContact CD1-CD1 3.54Å; Q283-L287 WeakPolarHBondContact O-CG 3.25Å; Q283-L287 PolarHBondContact O-N 2.86Å; M284-L287 PolarHBondContact O-N 3.3Å; M284-L287 HydrophobicContact SD-CD1 4.25Å; L287-S290 PolarHBondContact O-N 3.37Å; L287-C291 WeakPolarHBondContact O-CB 3.39Å; L287-C291 PolarHBondContact O-N 3.05Å; L287-L307 HydrophobicContact CB-CD2 4.12Å; L287-L310 HydrophobicContact CD1-CD1 4.22Å
288	Y	83.6	Confident	81.6	Confident	21 Å²	21	52.2 Å²	52.2	8%	0.082	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-47.9	177	-179.9	-91.7	0	0	0	111.9	M284 N285 S290 C291 E292 L307 Q325 I326 H329	M284-Y288 WeakPolarHBondContact O-CB 3.48Å; M284-Y288 PolarHBondContact O-N 2.85Å; N285-Y288 PolarHBondContact O-N 3.09Å; Y288-S290 VanDerWaalsContact C-N 3.3Å; Y288-S290 PolarHBondContact O-N 2.87Å; Y288-C291 WeakPolarHBondContact O-CB 3.32Å; Y288-C291 PolarHBondContact O-N 3.33Å; Y288-C291 VanDerWaalsContact O-N 3.12Å; Y288-E292 PolarHBondContact O-N 3.22Å; Y288-L307 HydrophobicContact CD2-CD1 4.4Å; Y288-Q325 HydrophobicContact CE2-CB 4.24Å; Y288-I326 HydrophobicContact CD2-CD1 4.24Å; Y288-I326 HydrophobicContact CD2-CG1 3.65Å; Y288-I326 HydrophobicContact CE2-CG1 3.64Å; Y288-H329 PolarHBondContact OH-CE1 2.81Å; Y288-H329 PolarHBondContact OH-ND1 3.21Å; Y288-H329 VanDerWaalsContact OH-ND1 3.13Å
289	Q	84.4	Confident	81.4	Confident	113 Å²	113	51.9 Å²	51.9	53%	0.528	26%	0.257	S	S	.	.	H	α-helix	trans	-61	-38.8	176.3	-71.8	175.2	0.3	0	0	112.4	N285 Q286 C291 K293	N285-Q289 WeakPolarHBondContact O-CG 3.03Å; N285-Q289 PolarHBondContact O-N 2.9Å; Q286-Q289 PolarHBondContact O-N 3.38Å; Q289-C291 VanDerWaalsContact C-N 3.34Å; Q289-K293 WeakPolarHBondContact O-CG 3.41Å; Q289-K293 PolarHBondContact O-N 2.64Å
290	S	87.9	Confident	81.1	Confident	8 Å²	8	52.6 Å²	52.6	6%	0.056	26%	0.261	C	S	.	.	H	α-helix	trans	-67.2	-36.4	175.2	-58.3	0	0	0	0	111.9	Q286 L287 Y288 S294	Q286-S290 WeakPolarHBondContact O-CB 3.44Å; Q286-S290 PolarHBondContact O-N 3.33Å; Q286-S290 PolarHBondContact O-OG 3.4Å; L287-S290 PolarHBondContact O-N 3.37Å; Y288-S290 VanDerWaalsContact C-N 3.3Å; Y288-S290 PolarHBondContact O-N 2.87Å; S290-S294 WeakPolarHBondContact O-CB 3.22Å; S290-S294 PolarHBondContact O-N 3.03Å; S290-S294 PolarHBondContact O-OG 3.3Å
291	C	87.7	Confident	81.1	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.014	26%	0.259	C	S	.	.	H	α-helix	trans	-68.2	-42.7	176.6	-179.5	0	0	0	0	111.7	W269 L287 Y288 Q289 K293 S294 I295 C303 L307	W269-C291 HydrophobicContact CH2-CB 3.77Å; W269-C291 HydrophobicContact CZ2-CB 4.15Å; W269-C291 HydrophobicContact CZ3-CB 4.49Å; L287-C291 WeakPolarHBondContact O-CB 3.39Å; L287-C291 PolarHBondContact O-N 3.05Å; Y288-C291 WeakPolarHBondContact O-CB 3.32Å; Y288-C291 PolarHBondContact O-N 3.33Å; Y288-C291 VanDerWaalsContact O-N 3.12Å; Q289-C291 VanDerWaalsContact C-N 3.34Å; C291-K293 VanDerWaalsContact C-N 3.31Å; C291-K293 PolarHBondContact O-N 2.83Å; C291-S294 WeakPolarHBondContact O-CB 3.26Å; C291-S294 PolarHBondContact O-N 2.92Å; C291-I295 WeakPolarHBondContact O-CG1 3.49Å; C291-I295 PolarHBondContact O-N 2.74Å; C291-C303 WeakPolarHBondContact CA-SG 3.24Å; C291-C303 HydrophobicContact CB-CB 3.63Å; C291-C303 WeakPolarHBondContact CB-SG 3.3Å; C291-C303 PolarHBondContact O-SG 2.8Å; C291-C303 VanDerWaalsContact O-SG 3.33Å; C291-C303 WeakPolarHBondContact SG-CB 3.5Å; C291-C303 CovalentContact SG-SG 2.05Å; C291-C303 PolarHBondContact SG-SG 2.82Å; C291-L307 HydrophobicContact CB-CD1 3.85Å
292	E	82.4	Confident	81.4	Confident	90 Å²	90	49.2 Å²	49.2	42%	0.421	24%	0.238	S	C	.	.	H	α-helix	trans	-56.1	-46.2	175.3	-173.4	176.5	-175.9	0	0	111.6	Y288 I295 I296	Y288-E292 PolarHBondContact O-N 3.22Å; E292-I295 PolarHBondContact O-N 2.86Å; E292-I296 WeakPolarHBondContact O-CG1 3.4Å; E292-I296 PolarHBondContact O-N 2.87Å
293	K	85.3	Confident	81.7	Confident	67 Å²	67	44.1 Å²	44.1	29%	0.291	21%	0.21	S	C	.	.	H	α-helix	trans	-64.3	-40.3	174.1	-67.9	176.3	-176.4	178.2	0	112.7	T239 Y243 Q289 C291 I295 I296 I297	T239-K293 HydrophobicContact CG2-CB 3.43Å; T239-K293 VanDerWaalsContact CG2-CB 3.43Å; T239-K293 HydrophobicContact CG2-CD 4.01Å; T239-K293 HydrophobicContact CG2-CG 4.38Å; Y243-K293 HydrophobicContact CD2-CB 4.05Å; Y243-K293 HydrophobicContact CD2-CG 4.18Å; Y243-K293 HydrophobicContact CE2-CG 4.5Å; Q289-K293 WeakPolarHBondContact O-CG 3.41Å; Q289-K293 PolarHBondContact O-N 2.64Å; C291-K293 VanDerWaalsContact C-N 3.31Å; C291-K293 PolarHBondContact O-N 2.83Å; K293-I295 VanDerWaalsContact C-N 3.31Å; K293-I295 PolarHBondContact O-N 2.92Å; K293-I296 PolarHBondContact O-N 3.45Å; K293-I296 VanDerWaalsContact O-N 3.17Å; K293-I297 WeakPolarHBondContact O-CD1 3.27Å; K293-I297 WeakPolarHBondContact O-CG1 3.31Å; K293-I297 PolarHBondContact O-N 3.01Å; K293-I297 VanDerWaalsContact O-N 3.13Å
294	S	85.9	Confident	81.7	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-38.6	178	-63.6	0	0	0	0	112.4	W269 S290 C291 I296 I297	W269-S294 WeakPolarHBondContact CZ2-OG 3.19Å; W269-S294 PolarHBondContact NE1-OG 2.8Å; S290-S294 WeakPolarHBondContact O-CB 3.22Å; S290-S294 PolarHBondContact O-N 3.03Å; S290-S294 PolarHBondContact O-OG 3.3Å; C291-S294 WeakPolarHBondContact O-CB 3.26Å; C291-S294 PolarHBondContact O-N 2.92Å; S294-I296 VanDerWaalsContact C-N 3.32Å; S294-I296 PolarHBondContact O-N 2.92Å; S294-I297 PolarHBondContact O-N 2.87Å
295	I	81	Confident	81.7	Confident	23 Å²	23	46.5 Å²	46.5	12%	0.118	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-38.7	175.4	-66.7	162.5	0	0	0	110.7	C291 E292 K293 I297 Q299 Y301 L304	C291-I295 WeakPolarHBondContact O-CG1 3.49Å; C291-I295 PolarHBondContact O-N 2.74Å; E292-I295 PolarHBondContact O-N 2.86Å; K293-I295 VanDerWaalsContact C-N 3.31Å; K293-I295 PolarHBondContact O-N 2.92Å; I295-I297 VanDerWaalsContact C-N 3.32Å; I295-I297 PolarHBondContact O-N 3.25Å; I295-Q299 WeakPolarHBondContact O-CA 3.43Å; I295-Q299 PolarHBondContact O-N 2.8Å; I295-Y301 HydrophobicContact CG1-CD1 4.28Å; I295-Y301 HydrophobicContact CG2-CD1 4.35Å; I295-Y301 HydrophobicContact CG2-CE1 3.83Å; I295-L304 HydrophobicContact CD1-CD1 3.86Å; I295-L304 HydrophobicContact CD1-CD2 4.16Å; I295-L304 HydrophobicContact CD1-CG 3.92Å
296	I	80.1	Confident	82	Confident	87 Å²	87	43.7 Å²	43.7	45%	0.446	21%	0.208	S	C	.	.	H	α-helix	trans	-67	-34.6	178.1	-63.8	165	0	0	0	111.5	Y243 E292 K293 S294	Y243-I296 HydrophobicContact CD2-CG2 4.43Å; Y243-I296 HydrophobicContact CE2-CB 4.16Å; Y243-I296 HydrophobicContact CE2-CD1 4Å; Y243-I296 HydrophobicContact CE2-CG2 3.84Å; E292-I296 WeakPolarHBondContact O-CG1 3.4Å; E292-I296 PolarHBondContact O-N 2.87Å; K293-I296 PolarHBondContact O-N 3.45Å; K293-I296 VanDerWaalsContact O-N 3.17Å; S294-I296 VanDerWaalsContact C-N 3.32Å; S294-I296 PolarHBondContact O-N 2.92Å
297	I	77	Confident	81.9	Confident	9 Å²	9	39.4 Å²	39.4	5%	0.046	19%	0.188	C	C	.	.	H	α-helix	trans	-65.2	-42.7	-176.9	-69.8	158.4	0	0	0	112.6	T239 L242 Y243 N246 F265 K293 S294 I295	T239-I297 HydrophobicContact CG2-CD1 4.25Å; L242-I297 HydrophobicContact CB-CD1 3.59Å; L242-I297 HydrophobicContact CB-CG1 4.23Å; L242-I297 HydrophobicContact CB-CG2 4.21Å; Y243-I297 HydrophobicContact CD2-CG1 4.49Å; N246-I297 PolarHBondContact ND2-O 3.5Å; F265-I297 HydrophobicContact CE2-CG2 4.48Å; F265-I297 HydrophobicContact CZ-CG2 4.49Å; K293-I297 WeakPolarHBondContact O-CD1 3.27Å; K293-I297 WeakPolarHBondContact O-CG1 3.31Å; K293-I297 PolarHBondContact O-N 3.01Å; K293-I297 VanDerWaalsContact O-N 3.13Å; S294-I297 PolarHBondContact O-N 2.87Å; I295-I297 VanDerWaalsContact C-N 3.32Å; I295-I297 PolarHBondContact O-N 3.25Å
298	D	72.9	Confident	81.7	Confident	62 Å²	62	42.2 Å²	42.2	33%	0.332	21%	0.205	S	C	.	.	H	α-helix	trans	-141.7	6.3	-169.4	-163.9	30.1	0	0	0	114.8	K261 F265 N300	K261-D298 WeakPolarHBondContact CE-OD1 3.28Å; K261-D298 WeakPolarHBondContact CE-OD2 3.1Å; K261-D298 IonicContact NZ-OD1 3.27Å; K261-D298 PolarHBondContact NZ-OD1 2.89Å; K261-D298 IonicContact NZ-OD2 2.74Å; K261-D298 PolarHBondContact NZ-OD2 2.8Å; F265-D298 HydrophobicContact CE2-CB 3.55Å; F265-D298 HydrophobicContact CZ-CB 3.75Å; D298-N300 HydrophobicContact CB-CB 3.93Å; D298-N300 PolarHBondContact O-N 3.05Å
299	Q	69.5	Low	81.7	Confident	144 Å²	144	41.9 Å²	41.9	67%	0.673	20%	0.204	S	C	*	.			trans	51.4	23.5	-166.9	-56.8	-177.6	-8.2	0	0	112.4	I295 Y301	I295-Q299 WeakPolarHBondContact O-CA 3.43Å; I295-Q299 PolarHBondContact O-N 2.8Å; Q299-Y301 WeakPolarHBondContact O-CD2 3.5Å; Q299-Y301 WeakPolarHBondContact O-CE2 3.5Å; Q299-Y301 VanDerWaalsContact O-CZ 3.28Å
300	N	71.1	Confident	81.6	Confident	38 Å²	38	36.9 Å²	36.9	20%	0.203	18%	0.181	C	C	.	.			trans	-88.9	118.5	-176.8	-170	-26.9	0	0	0	109.4	F265 D298 I302	F265-N300 HydrophobicContact CD1-CB 4.02Å; F265-N300 HydrophobicContact CE1-CB 3.77Å; F265-N300 HydrophobicContact CE2-CB 4.33Å; F265-N300 HydrophobicContact CG-CB 4.39Å; F265-N300 WeakPolarHBondContact CG-ND2 3.16Å; F265-N300 HydrophobicContact CZ-CB 3.95Å; D298-N300 HydrophobicContact CB-CB 3.93Å; D298-N300 PolarHBondContact O-N 3.05Å; N300-I302 VanDerWaalsContact C-N 3.29Å; N300-I302 PolarHBondContact O-N 2.87Å; N300-I302 WeakPolarHBondContact OD1-CB 3.31Å; N300-I302 WeakPolarHBondContact OD1-CG2 3.2Å; N300-I302 PolarHBondContact OD1-N 3.39Å
301	Y	77.8	Confident	81	Confident	84 Å²	84	36.7 Å²	36.7	33%	0.329	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	10.5	-173.5	-55.6	-59.4	0	0	0	113.8	I295 Q299 C303 L304 M305 L333	I295-Y301 HydrophobicContact CG1-CD1 4.28Å; I295-Y301 HydrophobicContact CG2-CD1 4.35Å; I295-Y301 HydrophobicContact CG2-CE1 3.83Å; Q299-Y301 WeakPolarHBondContact O-CD2 3.5Å; Q299-Y301 WeakPolarHBondContact O-CE2 3.5Å; Q299-Y301 VanDerWaalsContact O-CZ 3.28Å; Y301-C303 PolarHBondContact O-N 3.2Å; Y301-L304 HydrophobicContact CD1-CD1 3.92Å; Y301-L304 WeakPolarHBondContact O-CB 3.39Å; Y301-L304 PolarHBondContact O-N 2.97Å; Y301-M305 PolarHBondContact O-N 3.23Å; Y301-L333 HydrophobicContact CD1-CD1 3.32Å; Y301-L333 HydrophobicContact CD1-CD2 4.08Å; Y301-L333 HydrophobicContact CD1-CG 4.21Å; Y301-L333 HydrophobicContact CE1-CB 4.4Å; Y301-L333 HydrophobicContact CE1-CD1 3.34Å; Y301-L333 HydrophobicContact CE1-CD2 3.15Å; Y301-L333 HydrophobicContact CE1-CG 3.75Å; Y301-L333 HydrophobicContact CG-CD1 4.24Å; Y301-L333 WeakPolarHBondContact OH-CD2 3.17Å
302	I	82.7	Confident	80.4	Confident	9 Å²	9	40.4 Å²	40.4	5%	0.046	21%	0.206	C	C	.	.	H	α-helix	trans	-60.4	-34.1	-176.9	-162.1	142.2	0	0	0	111.7	F265 W269 P270 N300 L304 M305 T306 L481	F265-I302 HydrophobicContact CB-CG2 4.3Å; F265-I302 HydrophobicContact CD1-CG2 3.53Å; F265-I302 HydrophobicContact CE1-CG2 4.34Å; F265-I302 HydrophobicContact CG-CG2 4.37Å; F265-I302 WeakPolarHBondContact O-CD1 3.48Å; W269-I302 HydrophobicContact CB-CG1 4.38Å; W269-I302 HydrophobicContact CB-CG2 3.77Å; W269-I302 HydrophobicContact CG-CG2 4Å; P270-I302 HydrophobicContact CG-CD1 3.89Å; P270-I302 HydrophobicContact CG-CG1 4.32Å; N300-I302 VanDerWaalsContact C-N 3.29Å; N300-I302 PolarHBondContact O-N 2.87Å; N300-I302 WeakPolarHBondContact OD1-CB 3.31Å; N300-I302 WeakPolarHBondContact OD1-CG2 3.2Å; N300-I302 PolarHBondContact OD1-N 3.39Å; I302-L304 VanDerWaalsContact C-N 3.27Å; I302-L304 PolarHBondContact O-N 2.88Å; I302-M305 WeakPolarHBondContact O-CB 3.18Å; I302-M305 PolarHBondContact O-N 3.23Å; I302-T306 PolarHBondContact O-N 3Å; I302-T306 PolarHBondContact O-OG1 3.05Å; I302-T306 VanDerWaalsContact O-OG1 3.12Å; I302-L481 HydrophobicContact CB-CD1 3.65Å; I302-L481 HydrophobicContact CB-CG 4.33Å; I302-L481 HydrophobicContact CD1-CB 4.39Å; I302-L481 HydrophobicContact CD1-CD1 4.35Å; I302-L481 HydrophobicContact CG1-CD1 4.17Å; I302-L481 HydrophobicContact CG1-CG 4.36Å; I302-L481 VanDerWaalsContact N-CD1 3.29Å
303	C	86.9	Confident	79.8	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-33.8	176.6	74.4	0	0	0	0	112.4	W269 C291 Y301 T306 L307	W269-C303 HydrophobicContact CD2-CB 3.38Å; W269-C303 HydrophobicContact CE3-CB 3.57Å; W269-C303 HydrophobicContact CG-CB 4.03Å; W269-C303 HydrophobicContact CH2-CB 3.69Å; W269-C303 HydrophobicContact CZ2-CB 3.48Å; W269-C303 VanDerWaalsContact CZ2-CB 3.48Å; W269-C303 HydrophobicContact CZ3-CB 3.72Å; C291-C303 WeakPolarHBondContact CA-SG 3.24Å; C291-C303 HydrophobicContact CB-CB 3.63Å; C291-C303 WeakPolarHBondContact CB-SG 3.3Å; C291-C303 PolarHBondContact O-SG 2.8Å; C291-C303 VanDerWaalsContact O-SG 3.33Å; C291-C303 WeakPolarHBondContact SG-CB 3.5Å; C291-C303 CovalentContact SG-SG 2.05Å; C291-C303 PolarHBondContact SG-SG 2.82Å; Y301-C303 PolarHBondContact O-N 3.2Å; C303-T306 WeakPolarHBondContact O-CB 3.19Å; C303-T306 PolarHBondContact O-N 3.45Å; C303-L307 VanDerWaalsContact O-CG 3.29Å; C303-L307 WeakPolarHBondContact O-CG 3.39Å; C303-L307 PolarHBondContact O-N 3.27Å
304	L	83.3	Confident	79	Confident	9 Å²	9	38 Å²	38	5%	0.047	19%	0.192	C	C	.	.	H	α-helix	trans	-70	-40.7	175.2	-67.5	172.2	0	0	0	111.1	I295 Y301 I302 T306 L307 V308 I330 L333	I295-L304 HydrophobicContact CD1-CD1 3.86Å; I295-L304 HydrophobicContact CD1-CD2 4.16Å; I295-L304 HydrophobicContact CD1-CG 3.92Å; Y301-L304 HydrophobicContact CD1-CD1 3.92Å; Y301-L304 WeakPolarHBondContact O-CB 3.39Å; Y301-L304 PolarHBondContact O-N 2.97Å; I302-L304 VanDerWaalsContact C-N 3.27Å; I302-L304 PolarHBondContact O-N 2.88Å; L304-T306 VanDerWaalsContact C-N 3.31Å; L304-T306 PolarHBondContact O-N 2.84Å; L304-L307 HydrophobicContact CD2-CD1 4.49Å; L304-L307 PolarHBondContact O-N 2.91Å; L304-V308 VanDerWaalsContact O-CG2 3.3Å; L304-V308 WeakPolarHBondContact O-CG2 3.28Å; L304-V308 PolarHBondContact O-N 2.81Å; L304-I330 HydrophobicContact CD1-CG1 4.5Å; L304-L333 HydrophobicContact CD1-CD1 3.06Å
305	M	82.7	Confident	78.1	Confident	56 Å²	56	46.1 Å²	46.1	28%	0.276	23%	0.228	S	C	.	.	H	α-helix	trans	-60.7	-44	174.5	-169.6	59.5	72.7	0	0	110.8	Y301 I302 L307 V308 N309 S479 L481	Y301-M305 PolarHBondContact O-N 3.23Å; I302-M305 WeakPolarHBondContact O-CB 3.18Å; I302-M305 PolarHBondContact O-N 3.23Å; M305-L307 PolarHBondContact O-N 3.13Å; M305-V308 PolarHBondContact O-N 3.36Å; M305-N309 WeakPolarHBondContact O-CB 3.43Å; M305-N309 VanDerWaalsContact O-CG 3.27Å; M305-N309 PolarHBondContact O-N 3.37Å; M305-N309 PolarHBondContact O-ND2 2.97Å; M305-S479 WeakPolarHBondContact CG-O 3.5Å; M305-L481 HydrophobicContact CB-CD2 4.31Å; M305-L481 HydrophobicContact CB-CG 4.29Å; M305-L481 HydrophobicContact CE-CD2 3.92Å
306	T	86	Confident	77.2	Confident	4 Å²	4	50 Å²	50	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-57	-46.9	172.6	-59.1	0	0	0	0	112	W269 L272 I302 C303 L304 V308 N309 L310	W269-T306 HydrophobicContact CE3-CG2 4.09Å; W269-T306 VanDerWaalsContact O-CG2 3.22Å; W269-T306 WeakPolarHBondContact O-CG2 3.23Å; W269-T306 PolarHBondContact O-OG1 3.46Å; L272-T306 HydrophobicContact CB-CG2 3.69Å; I302-T306 PolarHBondContact O-N 3Å; I302-T306 PolarHBondContact O-OG1 3.05Å; I302-T306 VanDerWaalsContact O-OG1 3.12Å; C303-T306 WeakPolarHBondContact O-CB 3.19Å; C303-T306 PolarHBondContact O-N 3.45Å; L304-T306 VanDerWaalsContact C-N 3.31Å; L304-T306 PolarHBondContact O-N 2.84Å; T306-V308 VanDerWaalsContact C-N 3.35Å; T306-V308 PolarHBondContact O-N 3.18Å; T306-N309 PolarHBondContact O-N 2.93Å; T306-L310 HydrophobicContact CG2-CD1 4.16Å; T306-L310 WeakPolarHBondContact O-CG 3.19Å; T306-L310 PolarHBondContact O-N 3.35Å
307	L	84.6	Confident	76.5	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-38.7	177.9	-72	174.6	0	0	0	112.2	M284 L287 Y288 C291 C303 L304 M305 L310 N311 I326	M284-L307 HydrophobicContact CE-CD2 4.38Å; L287-L307 HydrophobicContact CB-CD2 4.12Å; Y288-L307 HydrophobicContact CD2-CD1 4.4Å; C291-L307 HydrophobicContact CB-CD1 3.85Å; C303-L307 VanDerWaalsContact O-CG 3.29Å; C303-L307 WeakPolarHBondContact O-CG 3.39Å; C303-L307 PolarHBondContact O-N 3.27Å; L304-L307 HydrophobicContact CD2-CD1 4.49Å; L304-L307 PolarHBondContact O-N 2.91Å; M305-L307 PolarHBondContact O-N 3.13Å; L307-L310 PolarHBondContact O-N 2.79Å; L307-N311 WeakPolarHBondContact O-CB 3.33Å; L307-N311 PolarHBondContact O-N 3.5Å; L307-N311 PolarHBondContact O-ND2 3.31Å; L307-I326 HydrophobicContact CB-CD1 4.24Å; L307-I326 HydrophobicContact CD1-CD1 4.15Å; L307-I326 HydrophobicContact CD1-CG1 4.42Å
308	V	82.4	Confident	75.9	Confident	60 Å²	60	55.6 Å²	55.6	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-63	-47.3	174.8	170.5	0	0	0	0	110.5	L304 M305 T306 L310 N311 S312 I330	L304-V308 VanDerWaalsContact O-CG2 3.3Å; L304-V308 WeakPolarHBondContact O-CG2 3.28Å; L304-V308 PolarHBondContact O-N 2.81Å; M305-V308 PolarHBondContact O-N 3.36Å; T306-V308 VanDerWaalsContact C-N 3.35Å; T306-V308 PolarHBondContact O-N 3.18Å; V308-L310 VanDerWaalsContact C-N 3.31Å; V308-L310 PolarHBondContact O-N 3Å; V308-N311 PolarHBondContact O-N 2.91Å; V308-S312 PolarHBondContact O-N 3.42Å; V308-S312 VanDerWaalsContact O-N 3.09Å; V308-I330 HydrophobicContact CG2-CD1 3.77Å
309	N	83.3	Confident	75.6	Confident	13 Å²	13	60.3 Å²	60.3	7%	0.07	29%	0.288	C	S	.	.	H	α-helix	trans	-58.3	-42.3	176.7	-71.3	-26.9	0	0	0	111.7	M305 T306 S312 S479	M305-N309 WeakPolarHBondContact O-CB 3.43Å; M305-N309 VanDerWaalsContact O-CG 3.27Å; M305-N309 PolarHBondContact O-N 3.37Å; M305-N309 PolarHBondContact O-ND2 2.97Å; T306-N309 PolarHBondContact O-N 2.93Å; N309-S312 PolarHBondContact O-OG 3.03Å; N309-S479 PolarHBondContact ND2-O 3.01Å
310	L	83.1	Confident	75.4	Confident	9 Å²	9	56.2 Å²	56.2	5%	0.047	27%	0.268	C	S	.	.	H	α-helix	trans	-67.8	-43.4	176.7	-71.3	173.8	0	0	0	112.7	L272 I275 L279 L287 T306 L307 V308 S312 R313	L272-L310 WeakPolarHBondContact O-CD2 3.47Å; I275-L310 HydrophobicContact CB-CD2 3.85Å; L279-L310 HydrophobicContact CD1-CD1 4.12Å; L287-L310 HydrophobicContact CD1-CD1 4.22Å; T306-L310 HydrophobicContact CG2-CD1 4.16Å; T306-L310 WeakPolarHBondContact O-CG 3.19Å; T306-L310 PolarHBondContact O-N 3.35Å; L307-L310 PolarHBondContact O-N 2.79Å; V308-L310 VanDerWaalsContact C-N 3.31Å; V308-L310 PolarHBondContact O-N 3Å; L310-S312 VanDerWaalsContact C-N 3.28Å; L310-S312 PolarHBondContact O-N 2.79Å; L310-R313 PolarHBondContact O-N 2.78Å; L310-R313 VanDerWaalsContact O-N 3.13Å
311	N	76.4	Confident	75.4	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-33.4	-178.4	-74.7	-34.9	0	0	0	112.6	M284 L307 V308 R313 I314 Y322 F323 I326	M284-N311 WeakPolarHBondContact CE-OD1 2.92Å; L307-N311 WeakPolarHBondContact O-CB 3.33Å; L307-N311 PolarHBondContact O-N 3.5Å; L307-N311 PolarHBondContact O-ND2 3.31Å; V308-N311 PolarHBondContact O-N 2.91Å; N311-R313 PolarHBondContact O-N 2.78Å; N311-I314 PolarHBondContact O-N 3.11Å; N311-I314 VanDerWaalsContact O-N 3.08Å; N311-Y322 WeakPolarHBondContact OD1-CE2 3.39Å; N311-F323 HydrophobicContact CB-CD2 4.15Å; N311-F323 HydrophobicContact CB-CE2 4.01Å; N311-I326 WeakPolarHBondContact ND2-CD1 3.44Å
312	S	73.3	Confident	74.9	Confident	81 Å²	81	56.8 Å²	56.8	57%	0.566	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-22.6	176.2	75.1	0	0	0	0	113.4	V308 N309 L310	V308-S312 PolarHBondContact O-N 3.42Å; V308-S312 VanDerWaalsContact O-N 3.09Å; N309-S312 PolarHBondContact O-OG 3.03Å; L310-S312 VanDerWaalsContact C-N 3.28Å; L310-S312 PolarHBondContact O-N 2.79Å
313	R	70.5	Confident	74.2	Confident	80 Å²	80	58.2 Å²	58.2	30%	0.302	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-14	-178.8	-56.1	-176.8	-174.6	161.7	8.7	113.9	S273 I275 L310 N311 K315 I478	S273-R313 PolarHBondContact O-NH1 3.44Å; S273-R313 VanDerWaalsContact O-NH1 3.08Å; S273-R313 PolarHBondContact O-NH2 3.34Å; I275-R313 PolarHBondContact O-NH1 2.65Å; L310-R313 PolarHBondContact O-N 2.78Å; L310-R313 VanDerWaalsContact O-N 3.13Å; N311-R313 PolarHBondContact O-N 2.78Å; R313-K315 PolarHBondContact O-N 3.13Å; R313-I478 VanDerWaalsContact NH2-CD1 3.26Å; R313-I478 VanDerWaalsContact NH2-CG1 3.34Å
314	I	69.2	Low	73.6	Confident	25 Å²	25	64 Å²	64	13%	0.128	31%	0.307	C	S	.	.	S	Bend	trans	-83.9	113.3	-177	-60.8	174.7	0	0	0	109.2	M284 N311 N316 Y317 F320	M284-I314 HydrophobicContact CE-CD1 4.23Å; M284-I314 HydrophobicContact SD-CD1 4.43Å; N311-I314 PolarHBondContact O-N 3.11Å; N311-I314 VanDerWaalsContact O-N 3.08Å; I314-N316 PolarHBondContact O-N 3.32Å; I314-Y317 WeakPolarHBondContact O-CD1 3.4Å; I314-Y317 PolarHBondContact O-N 3.39Å; I314-Y317 VanDerWaalsContact O-N 3.16Å; I314-F320 HydrophobicContact CG2-CD2 4.44Å; I314-F320 HydrophobicContact CG2-CE2 3.7Å; I314-F320 HydrophobicContact CG2-CZ 4.49Å
315	K	66.2	Low	73	Confident	172 Å²	172	68 Å²	68	75%	0.748	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	128.5	171.9	-68.2	-174	179.3	-178	0	109.7	R313	R313-K315 PolarHBondContact O-N 3.13Å
316	N	63.4	Low	72.3	Confident	105 Å²	105	65.5 Å²	65.5	56%	0.561	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	32.8	-176.5	-49.4	-60.7	0	0	0	115.1	I314 E318 K319	I314-N316 PolarHBondContact O-N 3.32Å; N316-E318 PolarHBondContact O-N 3.31Å; N316-K319 HydrophobicContact CB-CD 3.98Å; N316-K319 HydrophobicContact CB-CG 4.24Å; N316-K319 WeakPolarHBondContact O-CB 3.19Å; N316-K319 PolarHBondContact O-N 3.26Å
317	Y	65	Low	71.6	Confident	78 Å²	78	68.3 Å²	68.3	31%	0.306	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-51	-30.1	178	64.3	-97.5	0	0	0	113.5	I314 K319 F320 F323	I314-Y317 WeakPolarHBondContact O-CD1 3.4Å; I314-Y317 PolarHBondContact O-N 3.39Å; I314-Y317 VanDerWaalsContact O-N 3.16Å; Y317-K319 PolarHBondContact O-N 3.41Å; Y317-K319 VanDerWaalsContact O-N 3.11Å; Y317-F320 WeakPolarHBondContact O-CD2 3.36Å; Y317-F320 PolarHBondContact O-N 2.65Å; Y317-F320 VanDerWaalsContact O-N 3.11Å; Y317-F323 AromaticContact CD2-CD1 3.82Å; Y317-F323 HydrophobicContact CD2-CD1 3.82Å; Y317-F323 AromaticContact CD2-CD2 3.97Å; Y317-F323 HydrophobicContact CD2-CD2 3.97Å; Y317-F323 AromaticContact CD2-CE1 3.53Å; Y317-F323 HydrophobicContact CD2-CE1 3.53Å; Y317-F323 AromaticContact CD2-CE2 3.71Å; Y317-F323 HydrophobicContact CD2-CE2 3.71Å; Y317-F323 HydrophobicContact CD2-CG 4.03Å; Y317-F323 AromaticContact CD2-CZ 3.49Å; Y317-F323 HydrophobicContact CD2-CZ 3.49Å; Y317-F323 VanDerWaalsContact CD2-CZ 3.49Å; Y317-F323 HydrophobicContact CE2-CD1 4.17Å; Y317-F323 AromaticContact CE2-CE1 3.44Å; Y317-F323 HydrophobicContact CE2-CE1 3.44Å; Y317-F323 VanDerWaalsContact CE2-CE1 3.44Å; Y317-F323 HydrophobicContact CE2-CE2 4.05Å; Y317-F323 AromaticContact CE2-CZ 3.38Å; Y317-F323 HydrophobicContact CE2-CZ 3.38Å
318	E	64	Low	70.9	Confident	135 Å²	135	75 Å²	75	63%	0.631	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-58.2	-24.3	178.6	-59.2	-176.7	165.7	0	0	114.2	N316 F320	N316-E318 PolarHBondContact O-N 3.31Å; E318-F320 VanDerWaalsContact C-N 3.27Å; E318-F320 PolarHBondContact O-N 2.94Å
319	K	65.7	Low	70.1	Confident	161 Å²	161	74.5 Å²	74.5	70%	0.7	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-75.5	-16.2	-179.2	-65.9	-175.5	-178.3	176.1	0	112.9	N316 Y317	N316-K319 HydrophobicContact CB-CD 3.98Å; N316-K319 HydrophobicContact CB-CG 4.24Å; N316-K319 WeakPolarHBondContact O-CB 3.19Å; N316-K319 PolarHBondContact O-N 3.26Å; Y317-K319 PolarHBondContact O-N 3.41Å; Y317-K319 VanDerWaalsContact O-N 3.11Å
320	F	66.5	Low	69.3	Low	58 Å²	58	76.2 Å²	76.2	25%	0.254	36%	0.358	S	S	.	.			trans	-89	132.8	-174.4	-61.5	-78.7	0	0	0	112.7	I281 I314 Y317 E318 Y322 F323	I281-F320 HydrophobicContact CD1-CE1 4.07Å; I281-F320 HydrophobicContact CG1-CE1 4.02Å; I314-F320 HydrophobicContact CG2-CD2 4.44Å; I314-F320 HydrophobicContact CG2-CE2 3.7Å; I314-F320 HydrophobicContact CG2-CZ 4.49Å; Y317-F320 WeakPolarHBondContact O-CD2 3.36Å; Y317-F320 PolarHBondContact O-N 2.65Å; Y317-F320 VanDerWaalsContact O-N 3.11Å; E318-F320 VanDerWaalsContact C-N 3.27Å; E318-F320 PolarHBondContact O-N 2.94Å; F320-Y322 VanDerWaalsContact C-N 3.28Å; F320-Y322 HydrophobicContact CB-CD1 3.6Å; F320-Y322 HydrophobicContact CB-CD2 4.42Å; F320-Y322 HydrophobicContact CB-CE1 3.18Å; F320-Y322 HydrophobicContact CB-CE2 4.04Å; F320-Y322 HydrophobicContact CB-CG 4.19Å; F320-Y322 HydrophobicContact CD1-CD1 4.44Å; F320-Y322 AromaticContact CD1-CE1 3.61Å; F320-Y322 HydrophobicContact CD1-CE1 3.61Å; F320-Y322 HydrophobicContact CD2-CE1 4.1Å; F320-Y322 AromaticContact CD2-CZ 3.82Å; F320-Y322 WeakPolarHBondContact CD2-OH 3.35Å; F320-Y322 HydrophobicContact CE1-CE1 4.5Å; F320-Y322 HydrophobicContact CG-CD1 4.23Å; F320-Y322 AromaticContact CG-CE1 3.37Å; F320-Y322 HydrophobicContact CG-CE1 3.37Å; F320-Y322 AromaticContact CG-CZ 3.55Å; F320-Y322 WeakPolarHBondContact CG-OH 3.43Å; F320-Y322 PolarHBondContact O-N 3.34Å; F320-F323 WeakPolarHBondContact O-CB 3.33Å; F320-F323 PolarHBondContact O-N 2.91Å
321	N	70.3	Confident	68.6	Low	119 Å²	119	80 Å²	80	64%	0.636	38%	0.375	S	S	*	.	H	α-helix	trans	-63.7	-31	179.6	-77.5	-24.4	0	0	0	113.2	F323 K324 Q325	N321-F323 VanDerWaalsContact C-N 3.27Å; N321-F323 PolarHBondContact O-N 3.48Å; N321-K324 WeakPolarHBondContact O-CB 3.3Å; N321-K324 PolarHBondContact O-N 3Å; N321-Q325 PolarHBondContact O-N 3.2Å
322	Y	66.7	Low	68.1	Low	15 Å²	15	87.7 Å²	87.7	6%	0.059	41%	0.409	C	S	.	.	H	α-helix	trans	-63.4	-34.4	177.2	63.5	-106.3	0	0	0	111.5	M284 N311 F320 K324 Q325 I326	M284-Y322 HydrophobicContact CB-CE1 4.34Å; M284-Y322 HydrophobicContact CE-CD2 4.48Å; M284-Y322 HydrophobicContact CE-CE2 3.86Å; N311-Y322 WeakPolarHBondContact OD1-CE2 3.39Å; F320-Y322 VanDerWaalsContact C-N 3.28Å; F320-Y322 HydrophobicContact CB-CD1 3.6Å; F320-Y322 HydrophobicContact CB-CD2 4.42Å; F320-Y322 HydrophobicContact CB-CE1 3.18Å; F320-Y322 HydrophobicContact CB-CE2 4.04Å; F320-Y322 HydrophobicContact CB-CG 4.19Å; F320-Y322 HydrophobicContact CD1-CD1 4.44Å; F320-Y322 AromaticContact CD1-CE1 3.61Å; F320-Y322 HydrophobicContact CD1-CE1 3.61Å; F320-Y322 HydrophobicContact CD2-CE1 4.1Å; F320-Y322 AromaticContact CD2-CZ 3.82Å; F320-Y322 WeakPolarHBondContact CD2-OH 3.35Å; F320-Y322 HydrophobicContact CE1-CE1 4.5Å; F320-Y322 HydrophobicContact CG-CD1 4.23Å; F320-Y322 AromaticContact CG-CE1 3.37Å; F320-Y322 HydrophobicContact CG-CE1 3.37Å; F320-Y322 AromaticContact CG-CZ 3.55Å; F320-Y322 WeakPolarHBondContact CG-OH 3.43Å; F320-Y322 PolarHBondContact O-N 3.34Å; Y322-K324 VanDerWaalsContact C-N 3.28Å; Y322-K324 PolarHBondContact O-N 2.56Å; Y322-Q325 CarbonylContact O-C 3.58Å; Y322-Q325 WeakPolarHBondContact O-CA 3.26Å; Y322-Q325 WeakPolarHBondContact O-CB 3.36Å; Y322-Q325 PolarHBondContact O-N 3.26Å; Y322-I326 HydrophobicContact CD2-CD1 3.98Å; Y322-I326 WeakPolarHBondContact O-CG1 3.38Å; Y322-I326 PolarHBondContact O-N 2.91Å
323	F	69.6	Low	67.6	Low	39 Å²	39	86.6 Å²	86.6	17%	0.171	40%	0.396	C	S	.	.	H	α-helix	trans	-63.2	-39	179.7	-172.1	-107.1	0	0	0	111.1	N311 Y317 F320 N321 Q325 I326 I327	N311-F323 HydrophobicContact CB-CD2 4.15Å; N311-F323 HydrophobicContact CB-CE2 4.01Å; Y317-F323 AromaticContact CD2-CD1 3.82Å; Y317-F323 HydrophobicContact CD2-CD1 3.82Å; Y317-F323 AromaticContact CD2-CD2 3.97Å; Y317-F323 HydrophobicContact CD2-CD2 3.97Å; Y317-F323 AromaticContact CD2-CE1 3.53Å; Y317-F323 HydrophobicContact CD2-CE1 3.53Å; Y317-F323 AromaticContact CD2-CE2 3.71Å; Y317-F323 HydrophobicContact CD2-CE2 3.71Å; Y317-F323 HydrophobicContact CD2-CG 4.03Å; Y317-F323 AromaticContact CD2-CZ 3.49Å; Y317-F323 HydrophobicContact CD2-CZ 3.49Å; Y317-F323 VanDerWaalsContact CD2-CZ 3.49Å; Y317-F323 HydrophobicContact CE2-CD1 4.17Å; Y317-F323 AromaticContact CE2-CE1 3.44Å; Y317-F323 HydrophobicContact CE2-CE1 3.44Å; Y317-F323 VanDerWaalsContact CE2-CE1 3.44Å; Y317-F323 HydrophobicContact CE2-CE2 4.05Å; Y317-F323 AromaticContact CE2-CZ 3.38Å; Y317-F323 HydrophobicContact CE2-CZ 3.38Å; F320-F323 WeakPolarHBondContact O-CB 3.33Å; F320-F323 PolarHBondContact O-N 2.91Å; N321-F323 VanDerWaalsContact C-N 3.27Å; N321-F323 PolarHBondContact O-N 3.48Å; F323-Q325 VanDerWaalsContact C-N 3.27Å; F323-Q325 PolarHBondContact O-N 1.97Å; F323-I326 PolarHBondContact O-N 2.87Å; F323-I327 HydrophobicContact CD1-CD1 3.6Å; F323-I327 HydrophobicContact CD1-CG1 4.34Å; F323-I327 HydrophobicContact CE1-CD1 3.27Å; F323-I327 HydrophobicContact CE1-CG1 4.05Å; F323-I327 HydrophobicContact CG-CD1 4.5Å; F323-I327 HydrophobicContact CZ-CD1 3.94Å; F323-I327 HydrophobicContact CZ-CG1 4.28Å; F323-I327 WeakPolarHBondContact O-CG1 3.29Å; F323-I327 PolarHBondContact O-N 3.38Å
324	K	73.8	Confident	67	Low	122 Å²	122	87.8 Å²	87.8	53%	0.53	41%	0.408	S	S	.	.	H	α-helix	trans	-62.1	-34.6	171.8	-63.9	178.8	180	171.7	0	112.1	N321 Y322 K328	N321-K324 WeakPolarHBondContact O-CB 3.3Å; N321-K324 PolarHBondContact O-N 3Å; Y322-K324 VanDerWaalsContact C-N 3.28Å; Y322-K324 PolarHBondContact O-N 2.56Å; K324-K328 VanDerWaalsContact O-CG 3.29Å; K324-K328 WeakPolarHBondContact O-CG 3.49Å; K324-K328 PolarHBondContact O-N 3.15Å; K324-K328 VanDerWaalsContact O-N 3.07Å
325	Q	70.2	Confident	66.5	Low	93 Å²	93	90.4 Å²	90.4	44%	0.435	42%	0.423	S	S	.	.	H	α-helix	trans	-73.7	-39	176.7	-62.9	-177.3	5.1	0	0	112.2	Y288 N321 Y322 F323 K328 H329	Y288-Q325 HydrophobicContact CE2-CB 4.24Å; N321-Q325 PolarHBondContact O-N 3.2Å; Y322-Q325 CarbonylContact O-C 3.58Å; Y322-Q325 WeakPolarHBondContact O-CA 3.26Å; Y322-Q325 WeakPolarHBondContact O-CB 3.36Å; Y322-Q325 PolarHBondContact O-N 3.26Å; F323-Q325 VanDerWaalsContact C-N 3.27Å; F323-Q325 PolarHBondContact O-N 1.97Å; Q325-K328 WeakPolarHBondContact O-CB 3.34Å; Q325-K328 PolarHBondContact O-N 3.33Å; Q325-H329 PolarHBondContact O-N 3.31Å; Q325-H329 PolarHBondContact O-ND1 3.37Å
326	I	68.3	Low	65.8	Low	2 Å²	2	86.1 Å²	86.1	1%	0.01	41%	0.407	C	S	.	.	H	α-helix	trans	-60.8	-48.4	172.8	-66.6	169.3	0	0	0	109.9	Y288 L307 N311 Y322 F323 K328 H329 I330	Y288-I326 HydrophobicContact CD2-CD1 4.24Å; Y288-I326 HydrophobicContact CD2-CG1 3.65Å; Y288-I326 HydrophobicContact CE2-CG1 3.64Å; L307-I326 HydrophobicContact CB-CD1 4.24Å; L307-I326 HydrophobicContact CD1-CD1 4.15Å; L307-I326 HydrophobicContact CD1-CG1 4.42Å; N311-I326 WeakPolarHBondContact ND2-CD1 3.44Å; Y322-I326 HydrophobicContact CD2-CD1 3.98Å; Y322-I326 WeakPolarHBondContact O-CG1 3.38Å; Y322-I326 PolarHBondContact O-N 2.91Å; F323-I326 PolarHBondContact O-N 2.87Å; I326-K328 VanDerWaalsContact C-N 3.3Å; I326-K328 PolarHBondContact O-N 2.77Å; I326-H329 WeakPolarHBondContact O-CB 3.47Å; I326-H329 PolarHBondContact O-N 3.31Å; I326-H329 VanDerWaalsContact O-N 3.08Å; I326-I330 HydrophobicContact CG2-CD1 3.75Å; I326-I330 HydrophobicContact CG2-CG1 4.34Å; I326-I330 WeakPolarHBondContact O-CG1 3.37Å; I326-I330 PolarHBondContact O-N 2.82Å
327	I	70.6	Confident	64.9	Low	63 Å²	63	83.8 Å²	83.8	32%	0.323	40%	0.399	S	S	.	.	H	α-helix	trans	-56.5	-45.4	174.7	-71.6	168.8	0	0	0	110.6	F323 H329 I330 Q331	F323-I327 HydrophobicContact CD1-CD1 3.6Å; F323-I327 HydrophobicContact CD1-CG1 4.34Å; F323-I327 HydrophobicContact CE1-CD1 3.27Å; F323-I327 HydrophobicContact CE1-CG1 4.05Å; F323-I327 HydrophobicContact CG-CD1 4.5Å; F323-I327 HydrophobicContact CZ-CD1 3.94Å; F323-I327 HydrophobicContact CZ-CG1 4.28Å; F323-I327 WeakPolarHBondContact O-CG1 3.29Å; F323-I327 PolarHBondContact O-N 3.38Å; I327-H329 VanDerWaalsContact C-N 3.31Å; I327-H329 PolarHBondContact O-N 2.85Å; I327-I330 PolarHBondContact O-N 3.45Å; I327-Q331 HydrophobicContact CG2-CG 4.13Å; I327-Q331 VanDerWaalsContact O-CB 3.32Å; I327-Q331 WeakPolarHBondContact O-CB 3.5Å; I327-Q331 WeakPolarHBondContact O-CG 3.48Å; I327-Q331 PolarHBondContact O-N 2.93Å
328	K	70.9	Confident	64	Low	141 Å²	141	91.7 Å²	91.7	61%	0.613	43%	0.428	S	S	*	.	H	α-helix	trans	-60.9	-38.8	176.9	-78.2	176.2	179.4	-174.2	0	112.5	K324 Q325 I326 K332	K324-K328 VanDerWaalsContact O-CG 3.29Å; K324-K328 WeakPolarHBondContact O-CG 3.49Å; K324-K328 PolarHBondContact O-N 3.15Å; K324-K328 VanDerWaalsContact O-N 3.07Å; Q325-K328 WeakPolarHBondContact O-CB 3.34Å; Q325-K328 PolarHBondContact O-N 3.33Å; I326-K328 VanDerWaalsContact C-N 3.3Å; I326-K328 PolarHBondContact O-N 2.77Å; K328-K332 WeakPolarHBondContact O-CB 3.28Å; K328-K332 PolarHBondContact O-N 3Å
329	H	66.4	Low	63.1	Low	50 Å²	50	94 Å²	94	23%	0.231	44%	0.436	C	S	.	.	H	α-helix	trans	-65.9	-50.3	175.1	-83	69.9	0	0	0	110.9	Y288 Q325 I326 I327 Q331 K332 L333	Y288-H329 PolarHBondContact OH-CE1 2.81Å; Y288-H329 PolarHBondContact OH-ND1 3.21Å; Y288-H329 VanDerWaalsContact OH-ND1 3.13Å; Q325-H329 PolarHBondContact O-N 3.31Å; Q325-H329 PolarHBondContact O-ND1 3.37Å; I326-H329 WeakPolarHBondContact O-CB 3.47Å; I326-H329 PolarHBondContact O-N 3.31Å; I326-H329 VanDerWaalsContact O-N 3.08Å; I327-H329 VanDerWaalsContact C-N 3.31Å; I327-H329 PolarHBondContact O-N 2.85Å; H329-Q331 VanDerWaalsContact C-N 3.28Å; H329-Q331 PolarHBondContact O-N 3.32Å; H329-K332 WeakPolarHBondContact O-CB 3.31Å; H329-K332 PolarHBondContact O-N 3.42Å; H329-L333 WeakPolarHBondContact O-CB 3.49Å; H329-L333 WeakPolarHBondContact O-CG 2.81Å; H329-L333 PolarHBondContact O-N 2.95Å
330	I	66.5	Low	62.1	Low	49 Å²	49	89.2 Å²	89.2	25%	0.251	42%	0.418	S	S	.	.	H	α-helix	trans	-56	-44.9	176.2	-66.9	170.3	0	0	0	110.6	L304 V308 I326 I327 K332 L333 L334	L304-I330 HydrophobicContact CD1-CG1 4.5Å; V308-I330 HydrophobicContact CG2-CD1 3.77Å; I326-I330 HydrophobicContact CG2-CD1 3.75Å; I326-I330 HydrophobicContact CG2-CG1 4.34Å; I326-I330 WeakPolarHBondContact O-CG1 3.37Å; I326-I330 PolarHBondContact O-N 2.82Å; I327-I330 PolarHBondContact O-N 3.45Å; I330-K332 PolarHBondContact O-N 2.96Å; I330-L333 PolarHBondContact O-N 3.02Å; I330-L334 HydrophobicContact CG2-CD1 3.59Å; I330-L334 HydrophobicContact CG2-CG 4.26Å; I330-L334 WeakPolarHBondContact O-CB 3.41Å; I330-L334 VanDerWaalsContact O-CG 3.31Å; I330-L334 WeakPolarHBondContact O-CG 3.49Å; I330-L334 PolarHBondContact O-N 3.43Å
331	Q	67.1	Low	61.1	Low	88 Å²	88	89.9 Å²	89.9	41%	0.411	43%	0.427	S	S	.	.	H	α-helix	trans	-61.4	-41.5	175.6	-75.7	173	-17.2	0	0	112.6	I327 H329 D335 I336	I327-Q331 HydrophobicContact CG2-CG 4.13Å; I327-Q331 VanDerWaalsContact O-CB 3.32Å; I327-Q331 WeakPolarHBondContact O-CB 3.5Å; I327-Q331 WeakPolarHBondContact O-CG 3.48Å; I327-Q331 PolarHBondContact O-N 2.93Å; H329-Q331 VanDerWaalsContact C-N 3.28Å; H329-Q331 PolarHBondContact O-N 3.32Å; Q331-D335 PolarHBondContact O-N 3.49Å; Q331-I336 WeakPolarHBondContact O-CA 3.23Å; Q331-I336 PolarHBondContact O-N 2.64Å
332	K	66.8	Low	59.9	Low	166 Å²	166	90.9 Å²	90.9	72%	0.722	43%	0.428	S	S	*	.	H	α-helix	trans	-66.7	-38.4	176.7	-173.3	-177.5	177.1	-170.7	0	111.6	K328 H329 I330 D335	K328-K332 WeakPolarHBondContact O-CB 3.28Å; K328-K332 PolarHBondContact O-N 3Å; H329-K332 WeakPolarHBondContact O-CB 3.31Å; H329-K332 PolarHBondContact O-N 3.42Å; I330-K332 PolarHBondContact O-N 2.96Å; K332-D335 PolarHBondContact O-N 3.36Å
333	L	61.2	Low	59	Low	57 Å²	57	97.2 Å²	97.2	30%	0.298	46%	0.458	S	S	.	.	H	α-helix	trans	-74.3	-40.1	-177.7	-70.6	174	0	0	0	113.3	Y301 L304 H329 I330 D335	Y301-L333 HydrophobicContact CD1-CD1 3.32Å; Y301-L333 HydrophobicContact CD1-CD2 4.08Å; Y301-L333 HydrophobicContact CD1-CG 4.21Å; Y301-L333 HydrophobicContact CE1-CB 4.4Å; Y301-L333 HydrophobicContact CE1-CD1 3.34Å; Y301-L333 HydrophobicContact CE1-CD2 3.15Å; Y301-L333 HydrophobicContact CE1-CG 3.75Å; Y301-L333 HydrophobicContact CG-CD1 4.24Å; Y301-L333 WeakPolarHBondContact OH-CD2 3.17Å; L304-L333 HydrophobicContact CD1-CD1 3.06Å; H329-L333 WeakPolarHBondContact O-CB 3.49Å; H329-L333 WeakPolarHBondContact O-CG 2.81Å; H329-L333 PolarHBondContact O-N 2.95Å; I330-L333 PolarHBondContact O-N 3.02Å; L333-D335 PolarHBondContact O-N 2.83Å; L333-D335 VanDerWaalsContact O-N 3.14Å
334	L	59.6	Low	57.8	Low	106 Å²	106	97.8 Å²	97.8	56%	0.555	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	5.6	172.3	-66.3	173.5	0	0	0	112.2	I330 I336	I330-L334 HydrophobicContact CG2-CD1 3.59Å; I330-L334 HydrophobicContact CG2-CG 4.26Å; I330-L334 WeakPolarHBondContact O-CB 3.41Å; I330-L334 VanDerWaalsContact O-CG 3.31Å; I330-L334 WeakPolarHBondContact O-CG 3.49Å; I330-L334 PolarHBondContact O-N 3.43Å; L334-I336 HydrophobicContact CB-CD1 3.56Å; L334-I336 HydrophobicContact CB-CG1 3.54Å; L334-I336 HydrophobicContact CD1-CD1 3.61Å; L334-I336 HydrophobicContact CG-CD1 4.24Å; L334-I336 PolarHBondContact O-N 3.38Å
335	D	57.9	Low	56.5	Low	80 Å²	80	97.7 Å²	97.7	43%	0.428	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.6	40.1	-168.4	-162	7.8	0	0	0	112.3	Q331 K332 L333 S337 N340	Q331-D335 PolarHBondContact O-N 3.49Å; K332-D335 PolarHBondContact O-N 3.36Å; L333-D335 PolarHBondContact O-N 2.83Å; L333-D335 VanDerWaalsContact O-N 3.14Å; D335-S337 PolarHBondContact O-N 3.33Å; D335-S337 WeakPolarHBondContact OD1-CB 3.19Å; D335-S337 PolarHBondContact OD1-OG 2.89Å; D335-N340 PolarHBondContact O-ND2 3.32Å
336	I	51.8	Low	55.5	Low	81 Å²	81	94.1 Å²	94.1	42%	0.415	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	37	168.3	-47.9	167.1	0	0	0	108	Q331 L334	Q331-I336 WeakPolarHBondContact O-CA 3.23Å; Q331-I336 PolarHBondContact O-N 2.64Å; L334-I336 HydrophobicContact CB-CD1 3.56Å; L334-I336 HydrophobicContact CB-CG1 3.54Å; L334-I336 HydrophobicContact CD1-CD1 3.61Å; L334-I336 HydrophobicContact CG-CD1 4.24Å; L334-I336 PolarHBondContact O-N 3.38Å
337	S	43.9	Very low	54.5	Low	56 Å²	56	100.7 Å²	100.7	39%	0.392	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	150.3	149.7	74.3	0	0	0	0	106.4	D335 K339 N340	D335-S337 PolarHBondContact O-N 3.33Å; D335-S337 WeakPolarHBondContact OD1-CB 3.19Å; D335-S337 PolarHBondContact OD1-OG 2.89Å; S337-K339 PolarHBondContact O-N 2.65Å; S337-N340 PolarHBondContact O-N 3.23Å
338	R	46.5	Very low	53.5	Low	244 Å²	244	104.3 Å²	104.3	92%	0.921	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	2.7	-176.9	-84.5	176.1	169	168.4	-4.8	116.2	V341	R338-V341 WeakPolarHBondContact O-CG2 3.46Å
339	K	45.2	Very low	52.3	Low	183 Å²	183	100.3 Å²	100.3	80%	0.796	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-21	-177	-70.9	-175.1	173.1	-177	0	115.4	S337 V341	S337-K339 PolarHBondContact O-N 2.65Å; K339-V341 VanDerWaalsContact C-N 3.29Å; K339-V341 PolarHBondContact O-N 3.17Å
340	N	43.8	Very low	51.1	Low	62 Å²	62	102.2 Å²	102.2	33%	0.332	51%	0.512	S	S	.	.			trans	-94.7	37.2	172.6	-72.1	-7.7	0	0	0	113.5	D335 S337 E342 E343 C344	D335-N340 PolarHBondContact O-ND2 3.32Å; S337-N340 PolarHBondContact O-N 3.23Å; N340-E342 PolarHBondContact O-N 3.37Å; N340-E342 VanDerWaalsContact O-N 3.12Å; N340-E343 PolarHBondContact O-N 3.2Å; N340-C344 PolarHBondContact O-N 2.87Å
341	V	46.7	Very low	50.3	Low	72 Å²	72	106.6 Å²	106.6	44%	0.436	54%	0.535	S	S	.	.	H	α-helix	trans	-61.6	-14.7	170	175.2	0	0	0	0	111.3	R338 K339 C344 R345	R338-V341 WeakPolarHBondContact O-CG2 3.46Å; K339-V341 VanDerWaalsContact C-N 3.29Å; K339-V341 PolarHBondContact O-N 3.17Å; V341-C344 CarbonylContact O-C 3.28Å; V341-R345 HydrophobicContact CG1-CG 4.28Å; V341-R345 WeakPolarHBondContact O-CA 3.5Å; V341-R345 WeakPolarHBondContact O-CB 3.18Å; V341-R345 WeakPolarHBondContact O-CG 3.26Å; V341-R345 PolarHBondContact O-N 3.37Å
342	E	45.2	Very low	49.5	Very low	139 Å²	139	107.4 Å²	107.4	65%	0.65	55%	0.551	S	S	*	*	H	α-helix	trans	-75	-31.7	177.9	-61.4	-152.8	140.2	0	0	114.6	N340 R345	N340-E342 PolarHBondContact O-N 3.37Å; N340-E342 VanDerWaalsContact O-N 3.12Å; E342-R345 WeakPolarHBondContact O-CB 3.48Å; E342-R345 PolarHBondContact O-N 3.3Å; E342-R345 IonicContact OE1-NH1 3.36Å; E342-R345 PolarHBondContact OE1-NH1 3.36Å
343	E	46.5	Very low	48.6	Very low	148 Å²	148	108.1 Å²	108.1	69%	0.692	55%	0.554	S	S	*	*	H	α-helix	trans	-82.1	-35	173	-69.3	180	164	0	0	111.1	N340 R345 C346	N340-E343 PolarHBondContact O-N 3.2Å; E343-R345 PolarHBondContact O-N 3.07Å; E343-C346 VanDerWaalsContact O-CB 3.31Å; E343-C346 WeakPolarHBondContact O-CB 3.06Å; E343-C346 PolarHBondContact O-N 3.21Å
344	C	46	Very low	48.1	Very low	52 Å²	52	107.4 Å²	107.4	35%	0.351	55%	0.553	S	S	.	*	H	α-helix	trans	-68.3	-20.4	166.6	-77.9	0	0	0	0	113.2	N340 V341 C346 L347 N348	N340-C344 PolarHBondContact O-N 2.87Å; V341-C344 CarbonylContact O-C 3.28Å; C344-C346 PolarHBondContact O-N 3.03Å; C344-L347 WeakPolarHBondContact O-CB 3.18Å; C344-L347 PolarHBondContact O-N 3.31Å; C344-N348 PolarHBondContact O-N 3.39Å
345	R	45.8	Very low	48.1	Very low	120 Å²	120	108.2 Å²	108.2	45%	0.453	55%	0.552	S	S	.	*	H	α-helix	trans	-64.7	-21.4	173.3	-97.4	173.3	-173.1	164.5	1.1	112	V341 E342 E343 N348	V341-R345 HydrophobicContact CG1-CG 4.28Å; V341-R345 WeakPolarHBondContact O-CA 3.5Å; V341-R345 WeakPolarHBondContact O-CB 3.18Å; V341-R345 WeakPolarHBondContact O-CG 3.26Å; V341-R345 PolarHBondContact O-N 3.37Å; E342-R345 WeakPolarHBondContact O-CB 3.48Å; E342-R345 PolarHBondContact O-N 3.3Å; E342-R345 IonicContact OE1-NH1 3.36Å; E342-R345 PolarHBondContact OE1-NH1 3.36Å; E343-R345 PolarHBondContact O-N 3.07Å; R345-N348 CarbonylContact O-C 3.54Å; R345-N348 PolarHBondContact O-N 3.11Å
346	C	48.2	Very low	48	Very low	17 Å²	17	107 Å²	107	12%	0.115	55%	0.545	C	S	.	.	H	α-helix	trans	-65	-40.5	170.7	-69.1	0	0	0	0	112.1	E343 C344 N348 C354 L356	E343-C346 VanDerWaalsContact O-CB 3.31Å; E343-C346 WeakPolarHBondContact O-CB 3.06Å; E343-C346 PolarHBondContact O-N 3.21Å; C344-C346 PolarHBondContact O-N 3.03Å; C346-N348 PolarHBondContact O-N 3.17Å; C346-C354 HydrophobicContact CB-CB 3.27Å; C346-C354 WeakPolarHBondContact CB-SG 3.48Å; C346-C354 WeakPolarHBondContact SG-CB 3.28Å; C346-C354 CovalentContact SG-SG 1.97Å; C346-C354 PolarHBondContact SG-SG 2.82Å; C346-L356 VanDerWaalsContact O-CD1 3.25Å; C346-L356 WeakPolarHBondContact O-CD1 3.45Å
347	L	48.8	Very low	48.3	Very low	140 Å²	140	103.5 Å²	103.5	73%	0.733	53%	0.529	S	S	*	.	H	α-helix	trans	-68	-22.9	172.2	-71.9	160.9	0	0	0	112.8	C344 L356	C344-L347 WeakPolarHBondContact O-CB 3.18Å; C344-L347 PolarHBondContact O-N 3.31Å; L347-L356 HydrophobicContact CD2-CD2 4.36Å
348	N	48.1	Very low	49.1	Very low	140 Å²	140	101.8 Å²	101.8	75%	0.749	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	21.1	-178.3	-91.7	-16.7	0	0	0	115.3	C344 R345 C346	C344-N348 PolarHBondContact O-N 3.39Å; R345-N348 CarbonylContact O-C 3.54Å; R345-N348 PolarHBondContact O-N 3.11Å; C346-N348 PolarHBondContact O-N 3.17Å
349	G	45.6	Very low	49.7	Very low	57 Å²	57	94.1 Å²	94.1	59%	0.588	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.5	13.2	161.3	0	0	0	0	0	117.6	L351	G349-L351 VanDerWaalsContact C-N 3.31Å; G349-L351 PolarHBondContact O-N 3.19Å
350	L	42.9	Very low	50.2	Low	90 Å²	90	87.3 Å²	87.3	47%	0.471	49%	0.486	S	S	.	.			trans	-89	69.4	166.6	-105.3	137	0	0	0	110.8	S352 K353	L350-S352 PolarHBondContact O-N 3.3Å; L350-K353 PolarHBondContact O-N 3.13Å
351	L	48.8	Very low	51	Low	140 Å²	140	85.3 Å²	85.3	73%	0.733	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-21.4	177.5	-87.1	151.9	0	0	0	114.2	G349	G349-L351 VanDerWaalsContact C-N 3.31Å; G349-L351 PolarHBondContact O-N 3.19Å
352	S	50	Low	51.6	Low	105 Å²	105	90.1 Å²	90.1	73%	0.734	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-17.8	-173.4	67.5	0	0	0	0	115.1	L350	L350-S352 PolarHBondContact O-N 3.3Å
353	K	49.3	Very low	52.1	Low	181 Å²	181	85.9 Å²	85.9	79%	0.787	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-30.9	-178.9	-78.9	-170.5	176.5	-175.4	0	113.6	L350	L350-K353 PolarHBondContact O-N 3.13Å
354	C	50.2	Low	52.5	Low	43 Å²	43	82.1 Å²	82.1	29%	0.291	47%	0.474	S	S	.	.			trans	-99.2	124.1	175.8	-92.3	0	0	0	0	111.5	C346 L356	C346-C354 HydrophobicContact CB-CB 3.27Å; C346-C354 WeakPolarHBondContact CB-SG 3.48Å; C346-C354 WeakPolarHBondContact SG-CB 3.28Å; C346-C354 CovalentContact SG-SG 1.97Å; C346-C354 PolarHBondContact SG-SG 2.82Å; C354-L356 HydrophobicContact CB-CD1 4.15Å; C354-L356 HydrophobicContact CB-CG 4.07Å; C354-L356 PolarHBondContact O-N 2.89Å
355	K	59.2	Low	53	Low	123 Å²	123	84.6 Å²	84.6	54%	0.535	48%	0.483	S	S	.	.			trans	-71.5	58.8	167.1	-68.4	167.6	159.9	-160.9	0	109.2	G357 L358 A359	K355-G357 PolarHBondContact O-N 2.95Å; K355-L358 HydrophobicContact CB-CB 4Å; K355-L358 HydrophobicContact CB-CD1 3.6Å; K355-L358 HydrophobicContact CB-CG 4.19Å; K355-L358 HydrophobicContact CD-CD1 3.52Å; K355-L358 HydrophobicContact CG-CD1 3.87Å; K355-L358 WeakPolarHBondContact O-CA 3.46Å; K355-L358 WeakPolarHBondContact O-CB 3.22Å; K355-L358 PolarHBondContact O-N 2.97Å; K355-A359 PolarHBondContact O-N 2.75Å
356	L	56.1	Low	53.5	Low	54 Å²	54	79.4 Å²	79.4	28%	0.283	46%	0.464	S	S	.	.	H	α-helix	trans	-55.7	-36.1	-179.6	-84.1	142	0	0	0	111.8	C346 L347 C354 L358 A359 G360	C346-L356 VanDerWaalsContact O-CD1 3.25Å; C346-L356 WeakPolarHBondContact O-CD1 3.45Å; L347-L356 HydrophobicContact CD2-CD2 4.36Å; C354-L356 HydrophobicContact CB-CD1 4.15Å; C354-L356 HydrophobicContact CB-CG 4.07Å; C354-L356 PolarHBondContact O-N 2.89Å; L356-L358 VanDerWaalsContact C-N 3.29Å; L356-L358 PolarHBondContact O-N 2.85Å; L356-A359 PolarHBondContact O-N 3.11Å; L356-G360 PolarHBondContact O-N 2.8Å
357	G	57.7	Low	53.6	Low	7 Å²	7	80.1 Å²	80.1	7%	0.072	48%	0.475	C	S	.	.	H	α-helix	trans	-57	-44.3	172.7	0	0	0	0	0	111.9	K355 S361 W362 I366	K355-G357 PolarHBondContact O-N 2.95Å; G357-S361 PolarHBondContact O-N 2.78Å; G357-S361 VanDerWaalsContact O-N 3.07Å; G357-W362 PolarHBondContact O-N 3.31Å; G357-I366 WeakPolarHBondContact O-CD1 3.28Å; G357-I366 VanDerWaalsContact O-CG1 3.29Å; G357-I366 WeakPolarHBondContact O-CG1 3.41Å
358	L	60.9	Low	53.5	Low	20 Å²	20	78.1 Å²	78.1	11%	0.105	47%	0.465	C	S	.	.	H	α-helix	trans	-69	-43.3	177	-74.4	165.2	0	0	0	112	K355 L356 G360 S361 I366 N375 I400 Q408 L409	K355-L358 HydrophobicContact CB-CB 4Å; K355-L358 HydrophobicContact CB-CD1 3.6Å; K355-L358 HydrophobicContact CB-CG 4.19Å; K355-L358 HydrophobicContact CD-CD1 3.52Å; K355-L358 HydrophobicContact CG-CD1 3.87Å; K355-L358 WeakPolarHBondContact O-CA 3.46Å; K355-L358 WeakPolarHBondContact O-CB 3.22Å; K355-L358 PolarHBondContact O-N 2.97Å; L356-L358 VanDerWaalsContact C-N 3.29Å; L356-L358 PolarHBondContact O-N 2.85Å; L358-G360 PolarHBondContact O-N 2.79Å; L358-S361 PolarHBondContact O-N 3.36Å; L358-S361 VanDerWaalsContact O-N 3.17Å; L358-I366 HydrophobicContact CD2-CD1 4.35Å; L358-I366 HydrophobicContact CD2-CG2 4.28Å; L358-I366 HydrophobicContact CG-CG1 4.42Å; L358-N375 WeakPolarHBondContact CD1-ND2 3.45Å; L358-I400 HydrophobicContact CD2-CB 4.43Å; L358-I400 HydrophobicContact CD2-CD1 3.52Å; L358-I400 HydrophobicContact CD2-CG2 4.07Å; L358-Q408 VanDerWaalsContact CD1-NE2 3.29Å; L358-L409 HydrophobicContact CD2-CB 4.41Å; L358-L409 HydrophobicContact CD2-CD2 4.28Å
359	A	58	Low	53.3	Low	84 Å²	84	80.2 Å²	80.2	69%	0.694	47%	0.47	S	S	*	.	H	α-helix	trans	-65.5	-38.2	179.5	0	0	0	0	0	112.5	K355 L356 S361	K355-A359 PolarHBondContact O-N 2.75Å; L356-A359 PolarHBondContact O-N 3.11Å; A359-S361 VanDerWaalsContact C-N 3.28Å
360	G	57.2	Low	53.1	Low	39 Å²	39	86.2 Å²	86.2	40%	0.402	48%	0.48	S	S	.	.	H	α-helix	trans	-78.3	-12.4	175.6	0	0	0	0	0	113.2	L356 L358 W362	L356-G360 PolarHBondContact O-N 2.8Å; L358-G360 PolarHBondContact O-N 2.79Å; G360-W362 PolarHBondContact O-N 2.92Å
361	S	59.1	Low	53	Low	20 Å²	20	86.7 Å²	86.7	14%	0.14	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	38.8	-169.7	-141.6	0	0	0	0	111	G357 L358 A359 Y398 L409 N411	G357-S361 PolarHBondContact O-N 2.78Å; G357-S361 VanDerWaalsContact O-N 3.07Å; L358-S361 PolarHBondContact O-N 3.36Å; L358-S361 VanDerWaalsContact O-N 3.17Å; A359-S361 VanDerWaalsContact C-N 3.28Å; S361-Y398 WeakPolarHBondContact CB-OH 3.25Å; S361-Y398 PolarHBondContact O-OH 3.06Å; S361-Y398 PolarHBondContact OG-OH 3.17Å; S361-L409 WeakPolarHBondContact OG-CD2 3.42Å; S361-N411 PolarHBondContact OG-ND2 3.1Å; S361-N411 VanDerWaalsContact OG-ND2 3.12Å
362	W	60	Low	52.6	Low	173 Å²	173	88.4 Å²	88.4	66%	0.655	49%	0.492	S	S	*	.			trans	-99.6	97.7	-179.9	-76.3	20.7	0	0	0	109	G357 G360 G364 L365 I366	G357-W362 PolarHBondContact O-N 3.31Å; G360-W362 PolarHBondContact O-N 2.92Å; W362-G364 PolarHBondContact O-N 3.22Å; W362-G364 VanDerWaalsContact O-N 3.1Å; W362-L365 HydrophobicContact CB-CB 4.2Å; W362-L365 HydrophobicContact CB-CD1 4.07Å; W362-L365 HydrophobicContact CB-CG 4.23Å; W362-L365 HydrophobicContact CD2-CD1 4.16Å; W362-L365 HydrophobicContact CE3-CD1 3.53Å; W362-L365 HydrophobicContact CE3-CG 4.17Å; W362-L365 HydrophobicContact CG-CD1 4.43Å; W362-L365 HydrophobicContact CZ3-CD1 4.32Å; W362-L365 PolarHBondContact O-N 3.21Å; W362-I366 VanDerWaalsContact O-CD1 3.31Å; W362-I366 WeakPolarHBondContact O-CD1 3.41Å; W362-I366 VanDerWaalsContact O-CG1 3.26Å; W362-I366 WeakPolarHBondContact O-CG1 3.48Å; W362-I366 PolarHBondContact O-N 2.79Å
363	S	56.2	Low	52.3	Low	51 Å²	51	87.7 Å²	87.7	36%	0.357	48%	0.483	S	S	.	.	H	α-helix	trans	-49.1	-39.9	-178.3	56.8	0	0	0	0	112.8	L365 I366	S363-L365 VanDerWaalsContact C-N 3.33Å; S363-L365 PolarHBondContact O-N 3.2Å; S363-I366 PolarHBondContact O-N 2.76Å
364	G	54.3	Low	52.2	Low	69 Å²	69	83.5 Å²	83.5	71%	0.711	47%	0.467	S	S	*	.	H	α-helix	trans	-66.2	-24.6	178.3	0	0	0	0	0	115.7	W362	W362-G364 PolarHBondContact O-N 3.22Å; W362-G364 VanDerWaalsContact O-N 3.1Å
365	L	56.1	Low	52.4	Low	104 Å²	104	82.1 Å²	82.1	55%	0.545	46%	0.457	S	S	.	.	H	α-helix	trans	-93.9	-11.9	178	-69.4	178	0	0	0	113.3	W362 S363	W362-L365 HydrophobicContact CB-CB 4.2Å; W362-L365 HydrophobicContact CB-CD1 4.07Å; W362-L365 HydrophobicContact CB-CG 4.23Å; W362-L365 HydrophobicContact CD2-CD1 4.16Å; W362-L365 HydrophobicContact CE3-CD1 3.53Å; W362-L365 HydrophobicContact CE3-CG 4.17Å; W362-L365 HydrophobicContact CG-CD1 4.43Å; W362-L365 HydrophobicContact CZ3-CD1 4.32Å; W362-L365 PolarHBondContact O-N 3.21Å; S363-L365 VanDerWaalsContact C-N 3.33Å; S363-L365 PolarHBondContact O-N 3.2Å
366	I	57.7	Low	52.2	Low	10 Å²	10	82.6 Å²	82.6	5%	0.051	46%	0.461	C	S	.	.	H	α-helix	trans	-87.3	-31.8	-177.6	-63.2	160.6	0	0	0	110	G357 L358 W362 S363 D368 A377 I400 L409	G357-I366 WeakPolarHBondContact O-CD1 3.28Å; G357-I366 VanDerWaalsContact O-CG1 3.29Å; G357-I366 WeakPolarHBondContact O-CG1 3.41Å; L358-I366 HydrophobicContact CD2-CD1 4.35Å; L358-I366 HydrophobicContact CD2-CG2 4.28Å; L358-I366 HydrophobicContact CG-CG1 4.42Å; W362-I366 VanDerWaalsContact O-CD1 3.31Å; W362-I366 WeakPolarHBondContact O-CD1 3.41Å; W362-I366 VanDerWaalsContact O-CG1 3.26Å; W362-I366 WeakPolarHBondContact O-CG1 3.48Å; W362-I366 PolarHBondContact O-N 2.79Å; S363-I366 PolarHBondContact O-N 2.76Å; I366-D368 PolarHBondContact O-N 3.39Å; I366-A377 HydrophobicContact CB-CB 4.48Å; I366-A377 HydrophobicContact CG2-CB 3.97Å; I366-I400 HydrophobicContact CB-CD1 4.27Å; I366-I400 HydrophobicContact CD1-CD1 3.23Å; I366-I400 HydrophobicContact CG1-CD1 4.12Å; I366-I400 HydrophobicContact CG2-CD1 3.58Å; I366-I400 HydrophobicContact CG2-CG1 4.13Å; I366-I400 HydrophobicContact CG2-CG2 4.07Å; I366-L409 HydrophobicContact CD1-CD2 4.43Å
367	G	49.8	Very low	52.3	Low	32 Å²	32	81.9 Å²	81.9	33%	0.33	46%	0.463	S	S	.	.			trans	-93.4	31.2	-172.5	0	0	0	0	0	116.2	H369	G367-H369 PolarHBondContact O-N 3.21Å
368	D	45.9	Very low	52.4	Low	99 Å²	99	83.7 Å²	83.7	53%	0.529	47%	0.471	S	S	.	.			trans	-72.7	97.2	178.3	-153	-5.1	0	0	0	110.4	I366 K370	I366-D368 PolarHBondContact O-N 3.39Å; D368-K370 PolarHBondContact O-N 2.79Å
369	H	44.9	Very low	52.5	Low	183 Å²	183	87.6 Å²	87.6	85%	0.847	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-4.1	-175.1	-77	-71.2	0	0	0	115.6	G367	G367-H369 PolarHBondContact O-N 3.21Å
370	K	41.6	Very low	52.5	Low	184 Å²	184	84.6 Å²	84.6	80%	0.8	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-9.6	-173	-75.3	-179.5	178	173	0	115	D368	D368-K370 PolarHBondContact O-N 2.79Å
371	L	39.3	Very low	52.9	Low	99 Å²	99	83.8 Å²	83.8	52%	0.518	45%	0.449	S	S	.	.			trans	-117.7	110.1	177.4	-80.5	140.4	0	0	0	109.6	T373 M374	L371-T373 PolarHBondContact O-N 2.83Å; L371-M374 HydrophobicContact CB-CE 4.1Å; L371-M374 HydrophobicContact CB-CG 3.68Å; L371-M374 HydrophobicContact CD1-CE 3.71Å; L371-M374 HydrophobicContact CG-CE 4.47Å; L371-M374 WeakPolarHBondContact O-CB 3.41Å; L371-M374 WeakPolarHBondContact O-CG 3.33Å; L371-M374 PolarHBondContact O-N 2.51Å; L371-M374 VanDerWaalsContact O-N 3.09Å
372	N	41	Very low	52.9	Low	176 Å²	176	86.5 Å²	86.5	94%	0.941	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	9.3	177.3	-82.5	-12.1	0	0	0	115.4
373	T	44.1	Very low	53.1	Low	90 Å²	90	81.4 Å²	81.4	55%	0.552	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	5.6	-178	53.1	0	0	0	0	112.9	L371 N403	L371-T373 PolarHBondContact O-N 2.83Å; T373-N403 PolarHBondContact O-ND2 2.89Å; T373-N403 PolarHBondContact O-OD1 3.14Å
374	M	48	Very low	53.1	Low	93 Å²	93	83.1 Å²	83.1	46%	0.458	45%	0.45	S	S	.	.			trans	-94.9	137.9	-171.7	-68.1	-75.1	-173.6	0	0	112.5	L371	L371-M374 HydrophobicContact CB-CE 4.1Å; L371-M374 HydrophobicContact CB-CG 3.68Å; L371-M374 HydrophobicContact CD1-CE 3.71Å; L371-M374 HydrophobicContact CG-CE 4.47Å; L371-M374 WeakPolarHBondContact O-CB 3.41Å; L371-M374 WeakPolarHBondContact O-CG 3.33Å; L371-M374 PolarHBondContact O-N 2.51Å; L371-M374 VanDerWaalsContact O-N 3.09Å
375	N	53.4	Low	53.4	Low	15 Å²	15	83 Å²	83	8%	0.08	43%	0.433	C	S	.	.			trans	-46.2	145.5	175.9	-64.8	-18.2	0	0	0	113.6	L358 A377 I400 L401 Q408	L358-N375 WeakPolarHBondContact CD1-ND2 3.45Å; N375-A377 PolarHBondContact O-N 3.08Å; N375-I400 HydrophobicContact CB-CG2 3.55Å; N375-L401 WeakPolarHBondContact CA-O 3.3Å; N375-L401 WeakPolarHBondContact CB-O 3.5Å; N375-Q408 PolarHBondContact ND2-OE1 2.85Å
376	Q	55.3	Low	53.5	Low	132 Å²	132	84 Å²	84	62%	0.617	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	104.5	172.9	-69.3	-177.2	-12.6	0	0	109.5	I400 L401	Q376-I400 WeakPolarHBondContact O-CA 3.17Å; Q376-L401 PolarHBondContact N-O 3.43Å; Q376-L401 PolarHBondContact O-N 3.3Å
377	A	57.3	Low	53.5	Low	39 Å²	39	87.2 Å²	87.2	32%	0.322	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	119.7	166.6	0	0	0	0	0	109.1	I366 N375 I400	I366-A377 HydrophobicContact CB-CB 4.48Å; I366-A377 HydrophobicContact CG2-CB 3.97Å; N375-A377 PolarHBondContact O-N 3.08Å; A377-I400 HydrophobicContact CB-CG1 4.09Å
378	I	60.7	Low	53.7	Low	46 Å²	46	90 Å²	90	24%	0.236	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	103.3	177.5	-61.5	174.6	0	0	0	106.7	L380 Y398 Y399	I378-L380 PolarHBondContact O-N 3.07Å; I378-Y398 VanDerWaalsContact O-CA 3.32Å; I378-Y398 WeakPolarHBondContact O-CA 3.27Å; I378-Y398 WeakPolarHBondContact O-CB 3.49Å; I378-Y399 HydrophobicContact CB-CD1 4.31Å; I378-Y399 HydrophobicContact CB-CD2 4.48Å; I378-Y399 HydrophobicContact CB-CE1 3.81Å; I378-Y399 HydrophobicContact CB-CE2 4Å; I378-Y399 HydrophobicContact CD1-CE2 3.65Å; I378-Y399 WeakPolarHBondContact CD1-OH 3.39Å; I378-Y399 HydrophobicContact CG1-CE2 4.23Å; I378-Y399 HydrophobicContact CG2-CD1 4.49Å; I378-Y399 HydrophobicContact CG2-CE1 3.67Å; I378-Y399 PolarHBondContact N-O 3.32Å; I378-Y399 PolarHBondContact O-N 2.98Å
379	L	62	Low	54.4	Low	102 Å²	102	92.3 Å²	92.3	53%	0.534	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	114.5	165.2	-177.3	69.5	0	0	0	106.9	I396	L379-I396 HydrophobicContact CD1-CG2 4.14Å
380	L	59.1	Low	55.3	Low	20 Å²	20	86 Å²	86	11%	0.105	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-48.7	176.5	-76.9	165.4	0	0	0	109.3	I378 T397 Y399 L617 L669 G670 N673	I378-L380 PolarHBondContact O-N 3.07Å; L380-T397 WeakPolarHBondContact CB-O 3.42Å; L380-T397 WeakPolarHBondContact CB-OG1 3.15Å; L380-T397 PolarHBondContact N-O 3.32Å; L380-Y399 HydrophobicContact CD1-CD1 3.63Å; L380-Y399 HydrophobicContact CD1-CE1 3.97Å; L380-Y399 HydrophobicContact CD2-CD1 4.18Å; L380-Y399 HydrophobicContact CD2-CE1 3.62Å; L380-Y399 HydrophobicContact CG-CD1 3.73Å; L380-Y399 HydrophobicContact CG-CE1 3.68Å; L380-L617 HydrophobicContact CD1-CD1 3.3Å; L380-L617 HydrophobicContact CD2-CD1 4.19Å; L380-L617 HydrophobicContact CG-CD1 4.37Å; L380-L669 CarbonylContact C-O 3.56Å; L380-L669 CarbonylContact O-C 3.5Å; L380-L669 VanDerWaalsContact O-O 3.09Å; L380-G670 WeakPolarHBondContact O-CA 3.16Å; L380-G670 PolarHBondContact O-N 2.63Å; L380-N673 HydrophobicContact CD2-CB 3.92Å
381	H	65.1	Low	56.3	Low	22 Å²	22	80.2 Å²	80.2	10%	0.102	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	149.1	-174.3	-160.9	72.1	0	0	0	113.4	E383 Y395 I396 T397 N668	H381-E383 VanDerWaalsContact CE1-CD 3.45Å; H381-E383 IonicContact CE1-OE1 3.45Å; H381-E383 PolarHBondContact CE1-OE1 2.81Å; H381-E383 WeakPolarHBondContact NE2-CB 3.38Å; H381-E383 WeakPolarHBondContact NE2-CG 3.29Å; H381-E383 IonicContact NE2-OE1 3.04Å; H381-E383 PolarHBondContact NE2-OE1 3.28Å; H381-E383 IonicContact NE2-OE2 3.72Å; H381-E383 PolarHBondContact NE2-OE2 3.07Å; H381-Y395 AromaticContact CD2-CE2 3.24Å; H381-Y395 WeakPolarHBondContact CD2-CE2 3.37Å; H381-Y395 AromaticContact CD2-CZ 3.42Å; H381-Y395 VanDerWaalsContact CD2-CZ 3.42Å; H381-Y395 PolarHBondContact CD2-OH 2.9Å; H381-Y395 AromaticContact NE2-CE2 3.84Å; H381-Y395 AromaticContact NE2-CZ 3.53Å; H381-Y395 PolarHBondContact NE2-OH 2.76Å; H381-I396 WeakPolarHBondContact O-CA 3.42Å; H381-T397 PolarHBondContact N-O 2.71Å; H381-T397 PolarHBondContact O-N 2.95Å; H381-N668 PolarHBondContact CD2-O 3.49Å; H381-N668 PolarHBondContact CE1-O 3.17Å; H381-N668 PolarHBondContact ND1-O 3.12Å; H381-N668 PolarHBondContact NE2-O 2.82Å
382	N	60	Low	57.8	Low	77 Å²	77	77.7 Å²	77.7	41%	0.412	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	116.4	163.8	177.7	-22.8	0	0	0	106.2	D394 Y395 I396	N382-D394 PolarHBondContact OD1-OD1 2.85Å; N382-Y395 WeakPolarHBondContact CA-O 3.46Å; N382-I396 HydrophobicContact CB-CG1 4.32Å
383	E	62.5	Low	59.3	Low	67 Å²	67	71.7 Å²	71.7	31%	0.313	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.1	171	-107.1	171.8	-146.6	0	0	109.8	H381 D394 Y395	H381-E383 VanDerWaalsContact CE1-CD 3.45Å; H381-E383 IonicContact CE1-OE1 3.45Å; H381-E383 PolarHBondContact CE1-OE1 2.81Å; H381-E383 WeakPolarHBondContact NE2-CB 3.38Å; H381-E383 WeakPolarHBondContact NE2-CG 3.29Å; H381-E383 IonicContact NE2-OE1 3.04Å; H381-E383 PolarHBondContact NE2-OE1 3.28Å; H381-E383 IonicContact NE2-OE2 3.72Å; H381-E383 PolarHBondContact NE2-OE2 3.07Å; E383-D394 WeakPolarHBondContact O-CA 3.38Å; E383-Y395 HydrophobicContact CB-CD1 4.08Å; E383-Y395 HydrophobicContact CB-CE1 3.29Å; E383-Y395 VanDerWaalsContact CD-OH 3.26Å; E383-Y395 HydrophobicContact CG-CE1 4.45Å; E383-Y395 PolarHBondContact N-O 3.02Å; E383-Y395 WeakPolarHBondContact O-CD1 3.46Å; E383-Y395 PolarHBondContact O-N 3.16Å; E383-Y395 PolarHBondContact OE2-OH 3.06Å
384	I	57.9	Low	60.8	Low	87 Å²	87	68.1 Å²	68.1	45%	0.446	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	105.7	171.5	-58.7	180	0	0	0	106.8	Y392 I393 D394	I384-Y392 HydrophobicContact CG2-CD1 4.21Å; I384-Y392 HydrophobicContact CG2-CG 4.06Å; I384-I393 CarbonylContact C-O 3.54Å; I384-I393 WeakPolarHBondContact CA-O 3.36Å; I384-D394 HydrophobicContact CG1-CB 4.44Å
385	N	60.4	Low	62.2	Low	65 Å²	65	64 Å²	64	35%	0.348	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.9	173.6	-77.5	-22.2	0	0	0	109.6	I387 Y392 I393	N385-I387 PolarHBondContact O-N 3.07Å; N385-Y392 WeakPolarHBondContact O-CA 3.46Å; N385-I393 PolarHBondContact N-O 3.15Å; N385-I393 PolarHBondContact O-N 2.87Å
386	H	57.7	Low	63.3	Low	125 Å²	125	65 Å²	65	58%	0.579	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	111.7	173.3	-68.3	-79.2	0	0	0	109.3	Y392	H386-Y392 AromaticContact CE1-CD1 3.66Å; H386-Y392 AromaticContact CE1-CE1 3.35Å; H386-Y392 WeakPolarHBondContact CE1-CE1 3.26Å; H386-Y392 AromaticContact ND1-CD1 3.25Å; H386-Y392 VanDerWaalsContact ND1-CD1 3.25Å; H386-Y392 WeakPolarHBondContact ND1-CD1 3.31Å; H386-Y392 AromaticContact ND1-CE1 3.02Å; H386-Y392 WeakPolarHBondContact ND1-CE1 3.15Å
387	I	57.6	Low	64.3	Low	78 Å²	78	58.9 Å²	58.9	40%	0.4	30%	0.3	S	S	.	.	S	Bend	trans	-77.8	-47.6	172.1	-63.9	167	0	0	0	109.5	N385 L391 I393 L416	N385-I387 PolarHBondContact O-N 3.07Å; I387-L391 HydrophobicContact CB-CB 4.34Å; I387-L391 HydrophobicContact CD1-CB 4.28Å; I387-L391 PolarHBondContact N-O 2.96Å; I387-I393 HydrophobicContact CD1-CD1 3.55Å; I387-I393 HydrophobicContact CD1-CG1 3.59Å; I387-I393 HydrophobicContact CG1-CD1 4.22Å; I387-I393 HydrophobicContact CG1-CG1 4.29Å; I387-L416 HydrophobicContact CD1-CD1 4.21Å
388	N	55	Low	65.2	Low	91 Å²	91	57.5 Å²	57.5	49%	0.487	29%	0.287	S	S	.	.	S	Bend	trans	-167.1	52.3	-173.6	-90.1	-27.4	0	0	0	113.7	I390	N388-I390 PolarHBondContact O-N 2.73Å
389	H	59	Low	65.9	Low	147 Å²	147	56.3 Å²	56.3	68%	0.681	28%	0.279	S	S	*	.	S	Bend	trans	54.2	-15.6	-175.9	-64.8	-65.4	0	0	0	117.7	Y392 N419	H389-Y392 PolarHBondContact O-OH 3.06Å; H389-N419 PolarHBondContact O-ND2 3.25Å
390	I	63.8	Low	66.5	Low	51 Å²	51	51.4 Å²	51.4	26%	0.262	25%	0.254	S	S	.	.	S	Bend	trans	-109.3	-38.6	-176.2	-59	168.8	0	0	0	109.9	N388 N418 N419 E420	N388-I390 PolarHBondContact O-N 2.73Å; I390-N418 PolarHBondContact O-OD1 3.24Å; I390-N419 WeakPolarHBondContact O-CB 3.1Å; I390-N419 PolarHBondContact O-N 2.92Å; I390-E420 HydrophobicContact CG2-CG 4.47Å
391	L	63	Low	67	Low	63 Å²	63	50.9 Å²	50.9	33%	0.33	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.9	178.8	-67.2	172.1	0	0	0	110.5	I387 L416 I417 N418	I387-L391 HydrophobicContact CB-CB 4.34Å; I387-L391 HydrophobicContact CD1-CB 4.28Å; I387-L391 PolarHBondContact N-O 2.96Å; L391-L416 HydrophobicContact CB-CD1 4.42Å; L391-L416 HydrophobicContact CD2-CD1 4.45Å; L391-L416 HydrophobicContact CD2-CG 4.42Å; L391-I417 WeakPolarHBondContact CA-O 3.43Å; L391-N418 HydrophobicContact CD2-CB 4.16Å
392	Y	70.8	Confident	67.1	Low	45 Å²	45	51.2 Å²	51.2	18%	0.176	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133.2	173.6	-47.8	-59.3	0	0	0	109.4	I384 N385 H386 H389 I417 N419	I384-Y392 HydrophobicContact CG2-CD1 4.21Å; I384-Y392 HydrophobicContact CG2-CG 4.06Å; N385-Y392 WeakPolarHBondContact O-CA 3.46Å; H386-Y392 AromaticContact CE1-CD1 3.66Å; H386-Y392 AromaticContact CE1-CE1 3.35Å; H386-Y392 WeakPolarHBondContact CE1-CE1 3.26Å; H386-Y392 AromaticContact ND1-CD1 3.25Å; H386-Y392 VanDerWaalsContact ND1-CD1 3.25Å; H386-Y392 WeakPolarHBondContact ND1-CD1 3.31Å; H386-Y392 AromaticContact ND1-CE1 3.02Å; H386-Y392 WeakPolarHBondContact ND1-CE1 3.15Å; H389-Y392 PolarHBondContact O-OH 3.06Å; Y392-I417 HydrophobicContact CD2-CB 4.45Å; Y392-I417 HydrophobicContact CD2-CG2 4.31Å; Y392-I417 PolarHBondContact N-O 3.46Å; Y392-I417 PolarHBondContact O-N 2.91Å; Y392-N419 HydrophobicContact CD2-CB 4.33Å; Y392-N419 HydrophobicContact CE2-CB 3.49Å; Y392-N419 VanDerWaalsContact CE2-CB 3.49Å; Y392-N419 PolarHBondContact OH-ND2 3.49Å; Y392-N419 PolarHBondContact OH-OD1 2.86Å
393	I	71.9	Confident	67.4	Low	50 Å²	50	52.5 Å²	52.5	26%	0.256	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	117.5	163.8	-68.1	175	0	0	0	106.9	I384 N385 I387 I414 N415 L416	I384-I393 CarbonylContact C-O 3.54Å; I384-I393 WeakPolarHBondContact CA-O 3.36Å; N385-I393 PolarHBondContact N-O 3.15Å; N385-I393 PolarHBondContact O-N 2.87Å; I387-I393 HydrophobicContact CD1-CD1 3.55Å; I387-I393 HydrophobicContact CD1-CG1 3.59Å; I387-I393 HydrophobicContact CG1-CD1 4.22Å; I387-I393 HydrophobicContact CG1-CG1 4.29Å; I393-I414 HydrophobicContact CG2-CG2 3.99Å; I393-N415 WeakPolarHBondContact CA-O 3.29Å; I393-L416 HydrophobicContact CG1-CD1 3.86Å
394	D	75.8	Confident	67.5	Low	15 Å²	15	55 Å²	55	8%	0.08	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.8	171	174.1	22.1	0	0	0	108.3	N382 E383 I384 I396 I414 N415 I417	N382-D394 PolarHBondContact OD1-OD1 2.85Å; E383-D394 WeakPolarHBondContact O-CA 3.38Å; I384-D394 HydrophobicContact CG1-CB 4.44Å; D394-I396 WeakPolarHBondContact OD1-CG1 3.31Å; D394-I396 WeakPolarHBondContact OD2-CD1 3.37Å; D394-I414 CarbonylContact O-C 3.58Å; D394-I414 WeakPolarHBondContact O-CA 3.33Å; D394-N415 HydrophobicContact CB-CB 4.4Å; D394-N415 PolarHBondContact N-O 3.07Å; D394-N415 PolarHBondContact O-N 2.96Å; D394-I417 HydrophobicContact CB-CD1 3.79Å
395	Y	77.5	Confident	67.7	Low	6 Å²	6	52.5 Å²	52.5	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.8	170.1	68.9	-81.8	0	0	0	110.7	H381 N382 E383 N413 M619	H381-Y395 AromaticContact CD2-CE2 3.24Å; H381-Y395 WeakPolarHBondContact CD2-CE2 3.37Å; H381-Y395 AromaticContact CD2-CZ 3.42Å; H381-Y395 VanDerWaalsContact CD2-CZ 3.42Å; H381-Y395 PolarHBondContact CD2-OH 2.9Å; H381-Y395 AromaticContact NE2-CE2 3.84Å; H381-Y395 AromaticContact NE2-CZ 3.53Å; H381-Y395 PolarHBondContact NE2-OH 2.76Å; N382-Y395 WeakPolarHBondContact CA-O 3.46Å; E383-Y395 HydrophobicContact CB-CD1 4.08Å; E383-Y395 HydrophobicContact CB-CE1 3.29Å; E383-Y395 VanDerWaalsContact CD-OH 3.26Å; E383-Y395 HydrophobicContact CG-CE1 4.45Å; E383-Y395 PolarHBondContact N-O 3.02Å; E383-Y395 WeakPolarHBondContact O-CD1 3.46Å; E383-Y395 PolarHBondContact O-N 3.16Å; E383-Y395 PolarHBondContact OE2-OH 3.06Å; Y395-N413 CarbonylContact C-O 3.41Å; Y395-N413 VanDerWaalsContact CA-O 3.27Å; Y395-N413 WeakPolarHBondContact CA-O 3.31Å; Y395-M619 HydrophobicContact CD2-CE 3.98Å; Y395-M619 HydrophobicContact CE2-CE 3.88Å
396	I	77.2	Confident	68	Low	36 Å²	36	49.5 Å²	49.5	19%	0.185	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.6	-177.2	-57.1	-179.2	0	0	0	108.1	L379 H381 N382 D394 Y398 M412 N413	L379-I396 HydrophobicContact CD1-CG2 4.14Å; H381-I396 WeakPolarHBondContact O-CA 3.42Å; N382-I396 HydrophobicContact CB-CG1 4.32Å; D394-I396 WeakPolarHBondContact OD1-CG1 3.31Å; D394-I396 WeakPolarHBondContact OD2-CD1 3.37Å; I396-Y398 HydrophobicContact CG2-CD1 4.01Å; I396-Y398 HydrophobicContact CG2-CE1 4.38Å; I396-M412 WeakPolarHBondContact O-CA 3.41Å; I396-N413 PolarHBondContact N-O 3.38Å; I396-N413 PolarHBondContact O-N 2.86Å
397	T	77.2	Confident	68.7	Low	5 Å²	5	46 Å²	46	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132.6	173	85.4	0	0	0	0	110.2	L380 H381 N411 M412 L669	L380-T397 WeakPolarHBondContact CB-O 3.42Å; L380-T397 WeakPolarHBondContact CB-OG1 3.15Å; L380-T397 PolarHBondContact N-O 3.32Å; H381-T397 PolarHBondContact N-O 2.71Å; H381-T397 PolarHBondContact O-N 2.95Å; T397-N411 WeakPolarHBondContact CA-O 3.48Å; T397-M412 HydrophobicContact CG2-CB 4.43Å; T397-M412 HydrophobicContact CG2-CG 4.07Å; T397-L669 HydrophobicContact CG2-CD2 4.45Å
398	Y	75.6	Confident	69.5	Low	9 Å²	9	44.1 Å²	44.1	4%	0.035	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	157.6	174	62.3	-90.1	0	0	0	110.7	S361 I378 I396 I400 L409 S410 N411	S361-Y398 WeakPolarHBondContact CB-OH 3.25Å; S361-Y398 PolarHBondContact O-OH 3.06Å; S361-Y398 PolarHBondContact OG-OH 3.17Å; I378-Y398 VanDerWaalsContact O-CA 3.32Å; I378-Y398 WeakPolarHBondContact O-CA 3.27Å; I378-Y398 WeakPolarHBondContact O-CB 3.49Å; I396-Y398 HydrophobicContact CG2-CD1 4.01Å; I396-Y398 HydrophobicContact CG2-CE1 4.38Å; Y398-I400 HydrophobicContact CD2-CD1 4.41Å; Y398-I400 HydrophobicContact CD2-CG1 4.28Å; Y398-I400 HydrophobicContact CE2-CD1 4.23Å; Y398-L409 HydrophobicContact CE2-CD2 4.1Å; Y398-S410 WeakPolarHBondContact O-CA 3.37Å; Y398-N411 HydrophobicContact CD1-CB 4.29Å; Y398-N411 HydrophobicContact CD2-CB 4.45Å; Y398-N411 HydrophobicContact CE1-CB 3.64Å; Y398-N411 HydrophobicContact CE2-CB 3.82Å; Y398-N411 PolarHBondContact N-O 3.08Å; Y398-N411 PolarHBondContact O-N 3.03Å; Y398-N411 VanDerWaalsContact OH-CB 3.31Å; Y398-N411 WeakPolarHBondContact OH-CB 3.3Å; Y398-N411 PolarHBondContact OH-ND2 3.22Å
399	Y	76	Confident	70.6	Confident	21 Å²	21	40 Å²	40	8%	0.082	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	156.9	170.5	66.6	-85.1	0	0	0	110.4	I378 L380 L401 L407 L409 K676	I378-Y399 HydrophobicContact CB-CD1 4.31Å; I378-Y399 HydrophobicContact CB-CD2 4.48Å; I378-Y399 HydrophobicContact CB-CE1 3.81Å; I378-Y399 HydrophobicContact CB-CE2 4Å; I378-Y399 HydrophobicContact CD1-CE2 3.65Å; I378-Y399 WeakPolarHBondContact CD1-OH 3.39Å; I378-Y399 HydrophobicContact CG1-CE2 4.23Å; I378-Y399 HydrophobicContact CG2-CD1 4.49Å; I378-Y399 HydrophobicContact CG2-CE1 3.67Å; I378-Y399 PolarHBondContact N-O 3.32Å; I378-Y399 PolarHBondContact O-N 2.98Å; L380-Y399 HydrophobicContact CD1-CD1 3.63Å; L380-Y399 HydrophobicContact CD1-CE1 3.97Å; L380-Y399 HydrophobicContact CD2-CD1 4.18Å; L380-Y399 HydrophobicContact CD2-CE1 3.62Å; L380-Y399 HydrophobicContact CG-CD1 3.73Å; L380-Y399 HydrophobicContact CG-CE1 3.68Å; Y399-L401 HydrophobicContact CD2-CD2 3.84Å; Y399-L401 HydrophobicContact CD2-CG 3.96Å; Y399-L401 HydrophobicContact CE2-CD1 4.02Å; Y399-L401 HydrophobicContact CE2-CD2 4.01Å; Y399-L401 HydrophobicContact CE2-CG 3.86Å; Y399-L407 HydrophobicContact CD2-CD1 4.46Å; Y399-L409 CarbonylContact C-O 3.56Å; Y399-L409 WeakPolarHBondContact CA-O 3.43Å; Y399-K676 PolarHBondContact OH-NZ 2.81Å
400	I	73.2	Confident	71.6	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.5	-177.1	-55.9	165.7	0	0	0	107.6	L358 I366 N375 Q376 A377 Y398 Q408 L409	L358-I400 HydrophobicContact CD2-CB 4.43Å; L358-I400 HydrophobicContact CD2-CD1 3.52Å; L358-I400 HydrophobicContact CD2-CG2 4.07Å; I366-I400 HydrophobicContact CB-CD1 4.27Å; I366-I400 HydrophobicContact CD1-CD1 3.23Å; I366-I400 HydrophobicContact CG1-CD1 4.12Å; I366-I400 HydrophobicContact CG2-CD1 3.58Å; I366-I400 HydrophobicContact CG2-CG1 4.13Å; I366-I400 HydrophobicContact CG2-CG2 4.07Å; N375-I400 HydrophobicContact CB-CG2 3.55Å; Q376-I400 WeakPolarHBondContact O-CA 3.17Å; A377-I400 HydrophobicContact CB-CG1 4.09Å; Y398-I400 HydrophobicContact CD2-CD1 4.41Å; Y398-I400 HydrophobicContact CD2-CG1 4.28Å; Y398-I400 HydrophobicContact CE2-CD1 4.23Å; I400-Q408 PolarHBondContact O-N 2.66Å; I400-L409 HydrophobicContact CB-CB 4.04Å; I400-L409 HydrophobicContact CD1-CB 3.77Å; I400-L409 HydrophobicContact CD1-CD2 3.5Å; I400-L409 HydrophobicContact CD1-CG 4.19Å; I400-L409 HydrophobicContact CG1-CB 4.18Å; I400-L409 PolarHBondContact N-O 3.33Å; I400-L409 PolarHBondContact O-N 3.43Å
401	L	70.8	Confident	72.4	Confident	8 Å²	8	32.5 Å²	32.5	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.8	174.8	-56.4	-179.6	0	0	0	110.1	N375 Q376 Y399 G406 L407 P612	N375-L401 WeakPolarHBondContact CA-O 3.3Å; N375-L401 WeakPolarHBondContact CB-O 3.5Å; Q376-L401 PolarHBondContact N-O 3.43Å; Q376-L401 PolarHBondContact O-N 3.3Å; Y399-L401 HydrophobicContact CD2-CD2 3.84Å; Y399-L401 HydrophobicContact CD2-CG 3.96Å; Y399-L401 HydrophobicContact CE2-CD1 4.02Å; Y399-L401 HydrophobicContact CE2-CD2 4.01Å; Y399-L401 HydrophobicContact CE2-CG 3.86Å; L401-G406 CarbonylContact C-O 3.48Å; L401-G406 VanDerWaalsContact CA-O 3.22Å; L401-G406 WeakPolarHBondContact CA-O 3.35Å; L401-L407 HydrophobicContact CD2-CB 4.49Å; L401-L407 HydrophobicContact CD2-CD1 4.37Å; L401-P612 HydrophobicContact CD1-CB 4.16Å
402	D	66.9	Low	73.2	Confident	30 Å²	30	30.5 Å²	30.5	16%	0.16	17%	0.166	C	C	.	.			trans	-64.5	170.4	166.8	72.3	26.7	0	0	0	111.1	N404 G405 G406	D402-N404 PolarHBondContact O-N 2.81Å; D402-N404 WeakPolarHBondContact OD1-CA 3.35Å; D402-N404 WeakPolarHBondContact OD1-CB 3.43Å; D402-N404 PolarHBondContact OD1-N 2.88Å; D402-G405 PolarHBondContact O-N 3.09Å; D402-G405 PolarHBondContact OD1-N 3.37Å; D402-G406 PolarHBondContact N-O 3.2Å; D402-G406 PolarHBondContact OD1-N 3.36Å
403	N	65.7	Low	73.7	Confident	103 Å²	103	29.6 Å²	29.6	55%	0.551	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-18	179.6	-67.8	-11.4	0	0	0	113.8	T373	T373-N403 PolarHBondContact O-ND2 2.89Å; T373-N403 PolarHBondContact O-OD1 3.14Å
404	N	64	Low	74.1	Confident	120 Å²	120	28.6 Å²	28.6	64%	0.642	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-1.8	178.4	-62.8	-23	0	0	0	112.4	D402 M438	D402-N404 PolarHBondContact O-N 2.81Å; D402-N404 WeakPolarHBondContact OD1-CA 3.35Å; D402-N404 WeakPolarHBondContact OD1-CB 3.43Å; D402-N404 PolarHBondContact OD1-N 2.88Å; N404-M438 HydrophobicContact CB-CB 4.24Å; N404-M438 HydrophobicContact CB-CG 3.81Å; N404-M438 WeakPolarHBondContact O-CE 3.39Å
405	G	63.1	Low	74.3	Confident	34 Å²	34	28.9 Å²	28.9	35%	0.351	16%	0.161	S	C	.	.	S	Bend	trans	87.2	7	-177.9	0	0	0	0	0	115.1	D402	D402-G405 PolarHBondContact O-N 3.09Å; D402-G405 PolarHBondContact OD1-N 3.37Å
406	G	66.4	Low	74.4	Confident	3 Å²	3	30.6 Å²	30.6	3%	0.031	17%	0.17	C	C	.	.			trans	-74.3	141.5	172.9	0	0	0	0	0	111.5	L401 D402 Q408 M438	L401-G406 CarbonylContact C-O 3.48Å; L401-G406 VanDerWaalsContact CA-O 3.22Å; L401-G406 WeakPolarHBondContact CA-O 3.35Å; D402-G406 PolarHBondContact N-O 3.2Å; D402-G406 PolarHBondContact OD1-N 3.36Å; G406-Q408 PolarHBondContact O-N 3.35Å; G406-M438 VanDerWaalsContact CA-CG 3.48Å; G406-M438 VanDerWaalsContact N-CG 3.35Å
407	L	71.7	Confident	74.4	Confident	51 Å²	51	30.9 Å²	30.9	27%	0.267	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	130.7	171.7	-177.4	73.5	0	0	0	109.1	Y399 L401 L409 A434 L437	Y399-L407 HydrophobicContact CD2-CD1 4.46Å; L401-L407 HydrophobicContact CD2-CB 4.49Å; L401-L407 HydrophobicContact CD2-CD1 4.37Å; L407-L409 WeakPolarHBondContact CD1-O 3.03Å; L407-A434 WeakPolarHBondContact O-CB 3.31Å; L407-L437 HydrophobicContact CB-CD1 3.94Å
408	Q	75.7	Confident	74.3	Confident	38 Å²	38	32.2 Å²	32.2	18%	0.178	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-37.3	172.7	-169.2	177.3	-3	0	0	111.7	L358 N375 I400 G406 A434	L358-Q408 VanDerWaalsContact CD1-NE2 3.29Å; N375-Q408 PolarHBondContact ND2-OE1 2.85Å; I400-Q408 PolarHBondContact O-N 2.66Å; G406-Q408 PolarHBondContact O-N 3.35Å; Q408-A434 WeakPolarHBondContact CA-O 3.16Å; Q408-A434 PolarHBondContact O-N 2.9Å
409	L	76.8	Confident	74	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	142.6	179.2	-165.6	64.3	0	0	0	109.6	L358 S361 I366 Y398 Y399 I400 L407 N431 I432 Q433	L358-L409 HydrophobicContact CD2-CB 4.41Å; L358-L409 HydrophobicContact CD2-CD2 4.28Å; S361-L409 WeakPolarHBondContact OG-CD2 3.42Å; I366-L409 HydrophobicContact CD1-CD2 4.43Å; Y398-L409 HydrophobicContact CE2-CD2 4.1Å; Y399-L409 CarbonylContact C-O 3.56Å; Y399-L409 WeakPolarHBondContact CA-O 3.43Å; I400-L409 HydrophobicContact CB-CB 4.04Å; I400-L409 HydrophobicContact CD1-CB 3.77Å; I400-L409 HydrophobicContact CD1-CD2 3.5Å; I400-L409 HydrophobicContact CD1-CG 4.19Å; I400-L409 HydrophobicContact CG1-CB 4.18Å; I400-L409 PolarHBondContact N-O 3.33Å; I400-L409 PolarHBondContact O-N 3.43Å; L407-L409 WeakPolarHBondContact CD1-O 3.03Å; L409-N431 WeakPolarHBondContact CD1-OD1 3.32Å; L409-I432 CarbonylContact C-O 3.58Å; L409-I432 VanDerWaalsContact CA-O 3.26Å; L409-I432 WeakPolarHBondContact CA-O 3.42Å; L409-Q433 HydrophobicContact CD1-CB 4.4Å; L409-Q433 HydrophobicContact CD1-CG 3.67Å
410	S	79.6	Confident	73.5	Confident	31 Å²	31	40 Å²	40	22%	0.217	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	124.9	165.3	177.8	0	0	0	0	107.8	Y398 N431 I432	Y398-S410 WeakPolarHBondContact O-CA 3.37Å; S410-N431 CarbonylContact O-C 3.45Å; S410-N431 WeakPolarHBondContact O-CA 3.36Å; S410-N431 PolarHBondContact O-OD1 2.73Å; S410-I432 PolarHBondContact N-O 3.19Å; S410-I432 PolarHBondContact O-N 2.89Å
411	N	81.5	Confident	72.7	Confident	10 Å²	10	45.3 Å²	45.3	5%	0.053	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.3	177.8	-173	-25.7	0	0	0	109.2	S361 T397 Y398 N413 N429 I430	S361-N411 PolarHBondContact OG-ND2 3.1Å; S361-N411 VanDerWaalsContact OG-ND2 3.12Å; T397-N411 WeakPolarHBondContact CA-O 3.48Å; Y398-N411 HydrophobicContact CD1-CB 4.29Å; Y398-N411 HydrophobicContact CD2-CB 4.45Å; Y398-N411 HydrophobicContact CE1-CB 3.64Å; Y398-N411 HydrophobicContact CE2-CB 3.82Å; Y398-N411 PolarHBondContact N-O 3.08Å; Y398-N411 PolarHBondContact O-N 3.03Å; Y398-N411 VanDerWaalsContact OH-CB 3.31Å; Y398-N411 WeakPolarHBondContact OH-CB 3.3Å; Y398-N411 PolarHBondContact OH-ND2 3.22Å; N411-N413 PolarHBondContact OD1-N 3.3Å; N411-N429 PolarHBondContact OD1-OD1 3.42Å; N411-N429 VanDerWaalsContact OD1-OD1 3.07Å; N411-I430 CarbonylContact C-O 3.6Å; N411-I430 WeakPolarHBondContact CA-O 3.26Å
412	M	79.6	Confident	72.1	Confident	21 Å²	21	53.3 Å²	53.3	10%	0.103	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	114.1	166.2	174.1	176	178.5	0	0	107.8	I396 T397 I414 N429 I430 F602 M619	I396-M412 WeakPolarHBondContact O-CA 3.41Å; T397-M412 HydrophobicContact CG2-CB 4.43Å; T397-M412 HydrophobicContact CG2-CG 4.07Å; M412-I414 HydrophobicContact CE-CD1 3.88Å; M412-I414 HydrophobicContact CE-CG1 4.28Å; M412-N429 CarbonylContact O-C 3.59Å; M412-N429 VanDerWaalsContact O-CA 3.31Å; M412-N429 WeakPolarHBondContact O-CA 3.38Å; M412-I430 PolarHBondContact N-O 3.25Å; M412-I430 PolarHBondContact O-N 2.9Å; M412-F602 HydrophobicContact SD-CD2 3.99Å; M412-F602 HydrophobicContact SD-CE2 4.23Å; M412-M619 HydrophobicContact CE-SD 3.5Å; M412-M619 WeakPolarHBondContact CE-SD 3.43Å
413	N	81.5	Confident	72	Confident	27 Å²	27	55.7 Å²	55.7	14%	0.144	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.4	177.3	-170	20.3	0	0	0	110.4	Y395 I396 N411 N415 L428 N429	Y395-N413 CarbonylContact C-O 3.41Å; Y395-N413 VanDerWaalsContact CA-O 3.27Å; Y395-N413 WeakPolarHBondContact CA-O 3.31Å; I396-N413 PolarHBondContact N-O 3.38Å; I396-N413 PolarHBondContact O-N 2.86Å; N411-N413 PolarHBondContact OD1-N 3.3Å; N413-N415 PolarHBondContact ND2-ND2 3.05Å; N413-N415 VanDerWaalsContact ND2-ND2 3.11Å; N413-N415 PolarHBondContact ND2-OD1 3.49Å; N413-N415 PolarHBondContact OD1-OD1 3.03Å; N413-L428 CarbonylContact C-O 3.57Å; N413-L428 WeakPolarHBondContact CA-O 3.33Å; N413-L428 PolarHBondContact OD1-O 2.77Å; N413-N429 HydrophobicContact CB-CB 4.5Å
414	I	81.1	Confident	72.1	Confident	28 Å²	28	54.3 Å²	54.3	14%	0.144	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.2	171.8	-56.1	176.1	0	0	0	106.9	I393 D394 M412 L427 L428	I393-I414 HydrophobicContact CG2-CG2 3.99Å; D394-I414 CarbonylContact O-C 3.58Å; D394-I414 WeakPolarHBondContact O-CA 3.33Å; M412-I414 HydrophobicContact CE-CD1 3.88Å; M412-I414 HydrophobicContact CE-CG1 4.28Å; I414-L427 HydrophobicContact CG2-CB 4.29Å; I414-L427 HydrophobicContact CG2-CD1 4.09Å; I414-L427 WeakPolarHBondContact O-CA 3.42Å; I414-L427 WeakPolarHBondContact O-CB 3.42Å; I414-L427 PolarHBondContact O-N 2.91Å; I414-L428 HydrophobicContact CB-CB 4.5Å; I414-L428 HydrophobicContact CD1-CD2 4.49Å; I414-L428 PolarHBondContact N-O 2.94Å; I414-L428 PolarHBondContact O-N 3.37Å
415	N	80	Confident	72.4	Confident	21 Å²	21	51.3 Å²	51.3	11%	0.112	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	142.9	177.5	-58.1	-46.8	0	0	0	110.1	I393 D394 N413 I417 L425	I393-N415 WeakPolarHBondContact CA-O 3.29Å; D394-N415 HydrophobicContact CB-CB 4.4Å; D394-N415 PolarHBondContact N-O 3.07Å; D394-N415 PolarHBondContact O-N 2.96Å; N413-N415 PolarHBondContact ND2-ND2 3.05Å; N413-N415 VanDerWaalsContact ND2-ND2 3.11Å; N413-N415 PolarHBondContact ND2-OD1 3.49Å; N413-N415 PolarHBondContact OD1-OD1 3.03Å; N415-I417 HydrophobicContact CB-CG1 4.26Å; N415-L425 WeakPolarHBondContact CA-O 3.34Å
416	L	78.1	Confident	73	Confident	43 Å²	43	50.6 Å²	50.6	23%	0.225	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.6	163.3	-175.4	70.5	0	0	0	107.9	I387 L391 I393 S424 L425 L427	I387-L416 HydrophobicContact CD1-CD1 4.21Å; L391-L416 HydrophobicContact CB-CD1 4.42Å; L391-L416 HydrophobicContact CD2-CD1 4.45Å; L391-L416 HydrophobicContact CD2-CG 4.42Å; I393-L416 HydrophobicContact CG1-CD1 3.86Å; L416-S424 CarbonylContact O-C 3.58Å; L416-S424 WeakPolarHBondContact O-CA 3.06Å; L416-L425 HydrophobicContact CB-CB 4.46Å; L416-L425 PolarHBondContact N-O 3.34Å; L416-L425 PolarHBondContact O-N 3.37Å; L416-L427 HydrophobicContact CB-CD1 3.93Å; L416-L427 HydrophobicContact CB-CD2 4.16Å; L416-L427 HydrophobicContact CB-CG 3.9Å
417	I	76.9	Confident	73.6	Confident	42 Å²	42	53 Å²	53	22%	0.215	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.9	-176.6	-55.4	171.5	0	0	0	108.1	L391 Y392 D394 N415	L391-I417 WeakPolarHBondContact CA-O 3.43Å; Y392-I417 HydrophobicContact CD2-CB 4.45Å; Y392-I417 HydrophobicContact CD2-CG2 4.31Å; Y392-I417 PolarHBondContact N-O 3.46Å; Y392-I417 PolarHBondContact O-N 2.91Å; D394-I417 HydrophobicContact CB-CD1 3.79Å; N415-I417 HydrophobicContact CB-CG1 4.26Å
418	N	75.8	Confident	74	Confident	32 Å²	32	51.6 Å²	51.6	17%	0.171	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	125.4	167.3	-174.1	9.8	0	0	0	109.9	I390 L391 E420 E422 T423	I390-N418 PolarHBondContact O-OD1 3.24Å; L391-N418 HydrophobicContact CD2-CB 4.16Å; N418-E420 VanDerWaalsContact C-N 3.29Å; N418-E420 PolarHBondContact O-N 3.2Å; N418-E420 PolarHBondContact OD1-N 3.14Å; N418-E422 WeakPolarHBondContact O-CA 3.44Å; N418-E422 PolarHBondContact O-N 2.79Å; N418-E422 VanDerWaalsContact O-N 3.12Å; N418-T423 PolarHBondContact N-O 2.97Å
419	N	68.7	Low	74.4	Confident	83 Å²	83	51 Å²	51	44%	0.444	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-33.1	178.4	-168.7	21.7	0	0	0	112	H389 I390 Y392	H389-N419 PolarHBondContact O-ND2 3.25Å; I390-N419 WeakPolarHBondContact O-CB 3.1Å; I390-N419 PolarHBondContact O-N 2.92Å; Y392-N419 HydrophobicContact CD2-CB 4.33Å; Y392-N419 HydrophobicContact CE2-CB 3.49Å; Y392-N419 VanDerWaalsContact CE2-CB 3.49Å; Y392-N419 PolarHBondContact OH-ND2 3.49Å; Y392-N419 PolarHBondContact OH-OD1 2.86Å
420	E	65.9	Low	74.7	Confident	112 Å²	112	52.1 Å²	52.1	52%	0.523	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-39.7	-175	-67.7	-171.4	164.6	0	0	112.9	I390 N418	I390-E420 HydrophobicContact CG2-CG 4.47Å; N418-E420 VanDerWaalsContact C-N 3.29Å; N418-E420 PolarHBondContact O-N 3.2Å; N418-E420 PolarHBondContact OD1-N 3.14Å
421	D	57.8	Low	74.8	Confident	110 Å²	110	51.3 Å²	51.3	59%	0.588	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-1.3	-170.1	-68.6	-36.3	0	0	0	113.9	T423	D421-T423 HydrophobicContact CB-CG2 3.79Å; D421-T423 PolarHBondContact O-N 3.2Å
422	E	57.7	Low	74.9	Confident	176 Å²	176	53.1 Å²	53.1	82%	0.822	28%	0.282	S	S	*	.			trans	50.5	18.2	-165.9	-62.5	-175.1	168	0	0	113.3	N418 S424	N418-E422 WeakPolarHBondContact O-CA 3.44Å; N418-E422 PolarHBondContact O-N 2.79Å; N418-E422 VanDerWaalsContact O-N 3.12Å; E422-S424 PolarHBondContact O-N 3.05Å
423	T	63.4	Low	75	Confident	80 Å²	80	55 Å²	55	49%	0.491	29%	0.291	S	S	.	.			trans	-75.4	114.8	178.5	47.8	0	0	0	0	108.4	N418 D421	N418-T423 PolarHBondContact N-O 2.97Å; D421-T423 HydrophobicContact CB-CG2 3.79Å; D421-T423 PolarHBondContact O-N 3.2Å
424	S	67.8	Low	75	Confident	74 Å²	74	53.8 Å²	53.8	52%	0.517	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.4	172	64.1	0	0	0	0	109.5	L416 E422	L416-S424 CarbonylContact O-C 3.58Å; L416-S424 WeakPolarHBondContact O-CA 3.06Å; E422-S424 PolarHBondContact O-N 3.05Å
425	L	71.3	Confident	74.9	Confident	58 Å²	58	54.5 Å²	54.5	30%	0.304	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.7	166.6	175.4	65.1	0	0	0	108.2	N415 L416 L427 L476 D477	N415-L425 WeakPolarHBondContact CA-O 3.34Å; L416-L425 HydrophobicContact CB-CB 4.46Å; L416-L425 PolarHBondContact N-O 3.34Å; L416-L425 PolarHBondContact O-N 3.37Å; L425-L427 HydrophobicContact CD2-CD2 3.9Å; L425-L427 HydrophobicContact CG-CD2 4.24Å; L425-L427 PolarHBondContact O-N 3.2Å; L425-L476 HydrophobicContact CD2-CD2 4.03Å; L425-D477 VanDerWaalsContact CD1-OD2 3.23Å; L425-D477 WeakPolarHBondContact CD1-OD2 3.32Å
426	S	76.5	Confident	74.5	Confident	19 Å²	19	55 Å²	55	13%	0.133	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	101.6	172.1	-177.7	0	0	0	0	107.9	L476 D477	S426-L476 VanDerWaalsContact O-CA 3.27Å; S426-L476 WeakPolarHBondContact O-CA 3.17Å; S426-L476 PolarHBondContact O-N 3.35Å; S426-D477 WeakPolarHBondContact CB-OD1 3.27Å; S426-D477 PolarHBondContact N-OD1 2.87Å; S426-D477 PolarHBondContact O-N 3.07Å
427	L	78.5	Confident	74	Confident	52 Å²	52	54.8 Å²	54.8	27%	0.272	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-48.8	178.5	-67.9	-179.4	0	0	0	110.4	I414 L416 L425 Y475 L476	I414-L427 HydrophobicContact CG2-CB 4.29Å; I414-L427 HydrophobicContact CG2-CD1 4.09Å; I414-L427 WeakPolarHBondContact O-CA 3.42Å; I414-L427 WeakPolarHBondContact O-CB 3.42Å; I414-L427 PolarHBondContact O-N 2.91Å; L416-L427 HydrophobicContact CB-CD1 3.93Å; L416-L427 HydrophobicContact CB-CD2 4.16Å; L416-L427 HydrophobicContact CB-CG 3.9Å; L425-L427 HydrophobicContact CD2-CD2 3.9Å; L425-L427 HydrophobicContact CG-CD2 4.24Å; L425-L427 PolarHBondContact O-N 3.2Å; L427-Y475 VanDerWaalsContact O-CA 3.29Å; L427-Y475 WeakPolarHBondContact O-CA 3.45Å; L427-Y475 WeakPolarHBondContact O-CB 3.4Å; L427-L476 HydrophobicContact CD2-CD2 3.9Å; L427-L476 PolarHBondContact O-N 3.39Å
428	L	80.4	Confident	73.5	Confident	23 Å²	23	55.6 Å²	55.6	12%	0.12	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	125.1	-177.9	-177.4	67.9	0	0	0	110.2	N413 I414 I430 L473 N474	N413-L428 CarbonylContact C-O 3.57Å; N413-L428 WeakPolarHBondContact CA-O 3.33Å; N413-L428 PolarHBondContact OD1-O 2.77Å; I414-L428 HydrophobicContact CB-CB 4.5Å; I414-L428 HydrophobicContact CD1-CD2 4.49Å; I414-L428 PolarHBondContact N-O 2.94Å; I414-L428 PolarHBondContact O-N 3.37Å; L428-I430 HydrophobicContact CD1-CG1 4.29Å; L428-I430 HydrophobicContact CD2-CD1 4.06Å; L428-I430 HydrophobicContact CD2-CG1 4.49Å; L428-I430 HydrophobicContact CG-CD1 4.34Å; L428-I430 HydrophobicContact CG-CG1 4.22Å; L428-L473 HydrophobicContact CD1-CD1 3.65Å; L428-N474 CarbonylContact C-O 3.58Å; L428-N474 WeakPolarHBondContact CA-O 3.49Å
429	N	83.5	Confident	72.9	Confident	26 Å²	26	57.6 Å²	57.6	14%	0.139	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	117.1	171.3	178.2	-7.2	0	0	0	108.3	N411 M412 N413 L473 N474	N411-N429 PolarHBondContact OD1-OD1 3.42Å; N411-N429 VanDerWaalsContact OD1-OD1 3.07Å; M412-N429 CarbonylContact O-C 3.59Å; M412-N429 VanDerWaalsContact O-CA 3.31Å; M412-N429 WeakPolarHBondContact O-CA 3.38Å; N413-N429 HydrophobicContact CB-CB 4.5Å; N429-L473 WeakPolarHBondContact O-CA 3.34Å; N429-N474 HydrophobicContact CB-CB 4.1Å; N429-N474 PolarHBondContact N-O 2.87Å; N429-N474 PolarHBondContact O-N 3.3Å
430	I	82.3	Confident	72.4	Confident	27 Å²	27	55.7 Å²	55.7	14%	0.138	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	114.9	173.9	-59.7	164.8	0	0	0	107	N411 M412 L428 I432 M471 L473	N411-I430 CarbonylContact C-O 3.6Å; N411-I430 WeakPolarHBondContact CA-O 3.26Å; M412-I430 PolarHBondContact N-O 3.25Å; M412-I430 PolarHBondContact O-N 2.9Å; L428-I430 HydrophobicContact CD1-CG1 4.29Å; L428-I430 HydrophobicContact CD2-CD1 4.06Å; L428-I430 HydrophobicContact CD2-CG1 4.49Å; L428-I430 HydrophobicContact CG-CD1 4.34Å; L428-I430 HydrophobicContact CG-CG1 4.22Å; I430-I432 HydrophobicContact CG2-CG1 4.32Å; I430-M471 HydrophobicContact CG2-CG 4.31Å; I430-L473 HydrophobicContact CD1-CD1 4.48Å; I430-L473 HydrophobicContact CG1-CD1 3.52Å
431	N	83.4	Confident	71.8	Confident	13 Å²	13	52 Å²	52	7%	0.07	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.8	177.2	-174.6	35.5	0	0	0	109.3	L409 S410 Q433 M471 D472	L409-N431 WeakPolarHBondContact CD1-OD1 3.32Å; S410-N431 CarbonylContact O-C 3.45Å; S410-N431 WeakPolarHBondContact O-CA 3.36Å; S410-N431 PolarHBondContact O-OD1 2.73Å; N431-Q433 PolarHBondContact ND2-NE2 3.27Å; N431-Q433 VanDerWaalsContact ND2-NE2 3.15Å; N431-M471 CarbonylContact O-C 3.54Å; N431-M471 WeakPolarHBondContact O-CA 2.99Å; N431-D472 HydrophobicContact CB-CB 4.12Å; N431-D472 PolarHBondContact N-O 2.85Å; N431-D472 PolarHBondContact ND2-OD2 3Å; N431-D472 PolarHBondContact O-N 3.24Å
432	I	82.8	Confident	71.4	Confident	48 Å²	48	53.1 Å²	53.1	25%	0.246	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120	177.2	-60	172.9	0	0	0	107.1	L409 S410 I430 L469 Y470 M471	L409-I432 CarbonylContact C-O 3.58Å; L409-I432 VanDerWaalsContact CA-O 3.26Å; L409-I432 WeakPolarHBondContact CA-O 3.42Å; S410-I432 PolarHBondContact N-O 3.19Å; S410-I432 PolarHBondContact O-N 2.89Å; I430-I432 HydrophobicContact CG2-CG1 4.32Å; I432-L469 HydrophobicContact CG2-CD1 3.46Å; I432-L469 VanDerWaalsContact CG2-CD1 3.46Å; I432-L469 HydrophobicContact CG2-CG 4.22Å; I432-Y470 CarbonylContact C-O 3.52Å; I432-Y470 VanDerWaalsContact CA-O 3.32Å; I432-Y470 WeakPolarHBondContact CA-O 3.04Å; I432-M471 HydrophobicContact CG1-CG 4.36Å
433	Q	82.5	Confident	71	Confident	60 Å²	60	50.1 Å²	50.1	28%	0.28	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.3	177.5	-49.8	-166.1	26.6	0	0	108.7	L409 N431 W468 L469 Y470 D472	L409-Q433 HydrophobicContact CD1-CB 4.4Å; L409-Q433 HydrophobicContact CD1-CG 3.67Å; N431-Q433 PolarHBondContact ND2-NE2 3.27Å; N431-Q433 VanDerWaalsContact ND2-NE2 3.15Å; Q433-W468 HydrophobicContact CB-CZ3 3.98Å; Q433-L469 CarbonylContact O-C 3.59Å; Q433-L469 WeakPolarHBondContact O-CA 3.37Å; Q433-Y470 PolarHBondContact N-O 2.73Å; Q433-Y470 PolarHBondContact O-N 3.41Å; Q433-D472 PolarHBondContact NE2-OD2 3.46Å
434	A	80.1	Confident	69.8	Low	2 Å²	2	50 Å²	50	2%	0.017	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	154.7	177	0	0	0	0	0	111.3	L407 Q408 L437 W468 L469	L407-A434 WeakPolarHBondContact O-CB 3.31Å; Q408-A434 WeakPolarHBondContact CA-O 3.16Å; Q408-A434 PolarHBondContact O-N 2.9Å; A434-L437 HydrophobicContact CB-CD1 3.45Å; A434-L437 VanDerWaalsContact CB-CD1 3.45Å; A434-L437 HydrophobicContact CB-CD2 4.35Å; A434-L437 HydrophobicContact CB-CG 3.75Å; A434-W468 WeakPolarHBondContact CA-O 3.19Å; A434-L469 HydrophobicContact CB-CD1 3.46Å; A434-L469 VanDerWaalsContact CB-CD1 3.46Å
435	N	79	Confident	68	Low	44 Å²	44	52 Å²	52	24%	0.235	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135	177.1	-172.1	53	0	0	0	110.9	L437 E466 T467 W468	N435-L437 PolarHBondContact O-N 2.87Å; N435-E466 PolarHBondContact ND2-O 2.83Å; N435-T467 WeakPolarHBondContact O-CA 3.44Å; N435-W468 HydrophobicContact CB-CD2 3.52Å; N435-W468 HydrophobicContact CB-CE3 3.95Å; N435-W468 HydrophobicContact CB-CG 4.1Å; N435-W468 HydrophobicContact CB-CH2 3.91Å; N435-W468 HydrophobicContact CB-CZ2 3.41Å; N435-W468 VanDerWaalsContact CB-CZ2 3.41Å; N435-W468 HydrophobicContact CB-CZ3 4.14Å; N435-W468 PolarHBondContact N-O 3.01Å; N435-W468 PolarHBondContact O-N 3.3Å
436	E	71.3	Confident	66.5	Low	32 Å²	32	55.1 Å²	55.1	15%	0.15	30%	0.295	C	S	.	.			trans	48.4	36.4	173.4	-61.5	-169.7	-171.2	0	0	114.9	M438 N439 T463 G465 T467	E436-M438 PolarHBondContact O-N 3.15Å; E436-M438 VanDerWaalsContact O-N 3.13Å; E436-N439 WeakPolarHBondContact O-CB 3.47Å; E436-N439 PolarHBondContact O-N 2.86Å; E436-N439 PolarHBondContact OE2-ND2 3.01Å; E436-T463 VanDerWaalsContact OE1-O 3.13Å; E436-T463 PolarHBondContact OE1-OG1 3.15Å; E436-G465 VanDerWaalsContact CD-CA 3.47Å; E436-G465 WeakPolarHBondContact OE1-CA 3.39Å; E436-G465 PolarHBondContact OE1-N 2.82Å; E436-G465 WeakPolarHBondContact OE2-CA 3.5Å; E436-G465 PolarHBondContact OE2-N 2.84Å; E436-T467 PolarHBondContact O-OG1 2.84Å
437	L	69	Low	64.3	Low	37 Å²	37	61.6 Å²	61.6	19%	0.194	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.7	176.1	-71.3	178.3	0	0	0	112.6	L407 A434 N435 N439 L440 T467 F486	L407-L437 HydrophobicContact CB-CD1 3.94Å; A434-L437 HydrophobicContact CB-CD1 3.45Å; A434-L437 VanDerWaalsContact CB-CD1 3.45Å; A434-L437 HydrophobicContact CB-CD2 4.35Å; A434-L437 HydrophobicContact CB-CG 3.75Å; N435-L437 PolarHBondContact O-N 2.87Å; L437-N439 PolarHBondContact O-N 2.92Å; L437-L440 HydrophobicContact CD2-CD1 3.99Å; L437-L440 WeakPolarHBondContact O-CB 3.48Å; L437-L440 WeakPolarHBondContact O-CG 3.05Å; L437-L440 PolarHBondContact O-N 2.9Å; L437-T467 HydrophobicContact CD2-CG2 3.92Å; L437-F486 HydrophobicContact CD2-CE1 4.38Å; L437-F486 HydrophobicContact CD2-CZ 3.65Å
438	M	65	Low	62.4	Low	59 Å²	59	66.1 Å²	66.1	29%	0.291	35%	0.346	S	S	.	.	H	α-helix	trans	-64.6	-22.4	176.3	-70	-57.5	-62	0	0	113.5	N404 G406 E436 L440 G441 N442	N404-M438 HydrophobicContact CB-CB 4.24Å; N404-M438 HydrophobicContact CB-CG 3.81Å; N404-M438 WeakPolarHBondContact O-CE 3.39Å; G406-M438 VanDerWaalsContact CA-CG 3.48Å; G406-M438 VanDerWaalsContact N-CG 3.35Å; E436-M438 PolarHBondContact O-N 3.15Å; E436-M438 VanDerWaalsContact O-N 3.13Å; M438-L440 PolarHBondContact O-N 3.44Å; M438-L440 VanDerWaalsContact O-N 3.14Å; M438-G441 PolarHBondContact O-N 2.99Å; M438-N442 PolarHBondContact O-N 2.85Å
439	N	64.2	Low	60	Low	74 Å²	74	74.7 Å²	74.7	40%	0.396	38%	0.382	S	S	.	.	H	α-helix	trans	-61.2	-23.4	173.5	-68.2	-9.8	0	0	0	111.5	E436 L437	E436-N439 WeakPolarHBondContact O-CB 3.47Å; E436-N439 PolarHBondContact O-N 2.86Å; E436-N439 PolarHBondContact OE2-ND2 3.01Å; L437-N439 PolarHBondContact O-N 2.92Å
440	L	59	Low	57.5	Low	44 Å²	44	81.9 Å²	81.9	23%	0.23	42%	0.415	C	S	.	.	H	α-helix	trans	-77.4	-31.6	173.2	-52.2	171.2	0	0	0	112.5	L437 M438 I443 T467 F486 I490 I493	L437-L440 HydrophobicContact CD2-CD1 3.99Å; L437-L440 WeakPolarHBondContact O-CB 3.48Å; L437-L440 WeakPolarHBondContact O-CG 3.05Å; L437-L440 PolarHBondContact O-N 2.9Å; M438-L440 PolarHBondContact O-N 3.44Å; M438-L440 VanDerWaalsContact O-N 3.14Å; L440-I443 WeakPolarHBondContact O-CD1 3.3Å; L440-I443 WeakPolarHBondContact O-CG1 3.4Å; L440-T467 HydrophobicContact CD1-CG2 3.96Å; L440-T467 HydrophobicContact CD2-CG2 4.32Å; L440-T467 HydrophobicContact CG-CG2 4.05Å; L440-F486 HydrophobicContact CD1-CZ 4.44Å; L440-I490 HydrophobicContact CD2-CG1 3.84Å; L440-I493 HydrophobicContact CD1-CD1 3.18Å; L440-I493 HydrophobicContact CD2-CD1 3.34Å; L440-I493 HydrophobicContact CG-CD1 3.84Å
441	G	52.9	Low	55.1	Low	35 Å²	35	86.5 Å²	86.5	36%	0.361	45%	0.446	S	S	.	.	H	α-helix	trans	-77.8	-22.3	-176.3	0	0	0	0	0	114.3	M438 I443 L444	M438-G441 PolarHBondContact O-N 2.99Å; G441-I443 PolarHBondContact O-N 3.5Å; G441-L444 PolarHBondContact O-N 3.05Å
442	N	50.1	Low	52.4	Low	132 Å²	132	95 Å²	95	71%	0.706	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-0.6	178.1	-78.1	-17.3	0	0	0	114.5	M438	M438-N442 PolarHBondContact O-N 2.85Å
443	I	48.4	Very low	50	Low	114 Å²	114	101.2 Å²	101.2	59%	0.585	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-13.3	169.1	-52.6	171.4	0	0	0	111.3	L440 G441 I490	L440-I443 WeakPolarHBondContact O-CD1 3.3Å; L440-I443 WeakPolarHBondContact O-CG1 3.4Å; G441-I443 PolarHBondContact O-N 3.5Å; I443-I490 HydrophobicContact CD1-CD1 3.44Å; I443-I490 VanDerWaalsContact CD1-CD1 3.44Å; I443-I490 HydrophobicContact CD1-CG1 4Å; I443-I490 HydrophobicContact CG1-CD1 4.27Å
444	L	38.5	Very low	47.5	Very low	78 Å²	78	107 Å²	107	41%	0.408	54%	0.541	S	S	.	.	S	Bend	trans	-119.3	126	176.7	-72.4	158.4	0	0	0	110.2	G441 Y446 L552 I608	G441-L444 PolarHBondContact O-N 3.05Å; L444-Y446 PolarHBondContact O-N 3.24Å; L444-L552 HydrophobicContact CD1-CD1 4.44Å; L444-L552 HydrophobicContact CD1-CD2 3.95Å; L444-I608 HydrophobicContact CD1-CG2 4.33Å
445	P	30.5	Very low	44.8	Very low	114 Å²	114	116.5 Å²	116.5	74%	0.74	59%	0.585	S	S	*	*			trans	-69.4	97.3	-174.9	28	-32.7	0	0	0	110.1	N447	P445-N447 VanDerWaalsContact C-N 3.32Å; P445-N447 PolarHBondContact O-N 2.86Å
446	Y	39.7	Very low	42.3	Very low	124 Å²	124	119.6 Å²	119.6	49%	0.486	61%	0.61	S	S	.	*			trans	-73.2	89.5	170.3	-132.1	-96.9	0	0	0	108.8	L444 K448 L611	L444-Y446 PolarHBondContact O-N 3.24Å; Y446-K448 HydrophobicContact CD1-CB 4.38Å; Y446-K448 HydrophobicContact CD1-CD 4.07Å; Y446-K448 HydrophobicContact CD1-CG 3.95Å; Y446-K448 HydrophobicContact CE1-CD 3.95Å; Y446-K448 HydrophobicContact CE1-CG 4.07Å; Y446-K448 PolarHBondContact O-N 2.88Å; Y446-L611 PolarHBondContact OH-N 2.97Å; Y446-L611 PolarHBondContact OH-O 3.28Å
447	N	29.9	Very low	40.1	Very low	156 Å²	156	124.8 Å²	124.8	83%	0.834	64%	0.644	S	S	*	*			trans	-71.4	67.8	168.9	-82.9	-25.5	0	0	0	110.3	P445 K449	P445-N447 VanDerWaalsContact C-N 3.32Å; P445-N447 PolarHBondContact O-N 2.86Å; N447-K449 PolarHBondContact O-N 3.11Å
448	K	38.4	Very low	38	Very low	146 Å²	146	131.9 Å²	131.9	64%	0.635	68%	0.679	S	S	*	*			trans	-84.5	104.5	158.3	-96.3	-179.1	174.2	173.5	0	107.6	Y446 Q450	Y446-K448 HydrophobicContact CD1-CB 4.38Å; Y446-K448 HydrophobicContact CD1-CD 4.07Å; Y446-K448 HydrophobicContact CD1-CG 3.95Å; Y446-K448 HydrophobicContact CE1-CD 3.95Å; Y446-K448 HydrophobicContact CE1-CG 4.07Å; Y446-K448 PolarHBondContact O-N 2.88Å; K448-Q450 VanDerWaalsContact C-N 3.34Å; K448-Q450 PolarHBondContact O-N 3.46Å
449	K	30	Very low	36	Very low	204 Å²	204	133.3 Å²	133.3	89%	0.887	70%	0.7	S	S	*	*			trans	-55.3	98.4	163.4	-73.1	-179.7	176	179.4	0	108.1	N447	N447-K449 PolarHBondContact O-N 3.11Å
450	Q	30.6	Very low	34.2	Very low	177 Å²	177	135.8 Å²	135.8	83%	0.827	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-67.2	133.2	164	-77.7	-178.9	-16.4	0	0	108.5	K448 Q452	K448-Q450 VanDerWaalsContact C-N 3.34Å; K448-Q450 PolarHBondContact O-N 3.46Å; Q450-Q452 PolarHBondContact O-N 3.5Å
451	P	31.6	Very low	32.6	Very low	123 Å²	123	139 Å²	139	80%	0.799	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-66	127.4	161.3	-9.6	25.7	0	0	0	108.3	Q453	P451-Q453 PolarHBondContact O-N 3.09Å
452	Q	27.5	Very low	31.6	Very low	192 Å²	192	142.9 Å²	142.9	90%	0.897	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-52.7	117.9	-178.7	-65.5	168.3	-28.2	0	0	112.5	Q450	Q450-Q452 PolarHBondContact O-N 3.5Å
453	Q	31.3	Very low	31	Very low	178 Å²	178	141.1 Å²	141.1	83%	0.832	75%	0.75	S	S	*	*			trans	-138.4	110	152.3	-76.4	-168.6	-11.4	0	0	110.9	P451	P451-Q453 PolarHBondContact O-N 3.09Å
454	Q	29.7	Very low	31	Very low	183 Å²	183	142.2 Å²	142.2	86%	0.855	76%	0.763	S	S	*	*			trans	47.1	112.6	138.6	-71.4	171.8	-11.1	0	0	119.6	S456	Q454-S456 PolarHBondContact O-N 2.74Å
455	Q	24.1	Very low	32	Very low	200 Å²	200	139.6 Å²	139.6	94%	0.935	75%	0.754	S	S	*	*			trans	-23	116.1	147.1	-68.6	163.6	-21.1	0	0	114.5
456	S	27.7	Very low	33.8	Very low	110 Å²	110	140.8 Å²	140.8	77%	0.769	75%	0.75	S	S	*	*			trans	-151.9	115.6	139.9	58	0	0	0	0	109.5	Q454 M458	Q454-S456 PolarHBondContact O-N 2.74Å; S456-M458 PolarHBondContact O-N 2.87Å
457	T	24.1	Very low	35.5	Very low	141 Å²	141	135.4 Å²	135.4	87%	0.865	73%	0.73	S	S	*	*			trans	-43.7	108.9	167.3	44.7	0	0	0	0	112.8
458	M	24.7	Very low	38	Very low	186 Å²	186	131.3 Å²	131.3	92%	0.916	70%	0.703	S	S	*	*			trans	-150.5	135.6	144.8	-77.3	-151.6	-156.7	0	0	108.5	S456 T460	S456-M458 PolarHBondContact O-N 2.87Å; M458-T460 PolarHBondContact O-N 2.88Å
459	A	22.9	Very low	40	Very low	88 Å²	88	125.8 Å²	125.8	73%	0.727	68%	0.68	S	S	*	*			trans	-42.1	123.2	-168.4	0	0	0	0	0	114.4	T461	A459-T461 PolarHBondContact O-N 2.84Å
460	T	25.9	Very low	42.6	Very low	127 Å²	127	119.6 Å²	119.6	78%	0.779	65%	0.651	S	S	*	*			trans	-66.5	84.2	153.8	47.8	0	0	0	0	107.4	M458 T462	M458-T460 PolarHBondContact O-N 2.88Å; T460-T462 PolarHBondContact O-N 2.94Å
461	T	26.4	Very low	45	Very low	112 Å²	112	112.1 Å²	112.1	69%	0.687	62%	0.617	S	S	*	*			trans	-64.6	86.3	149.2	49.2	0	0	0	0	105.5	A459 T463	A459-T461 PolarHBondContact O-N 2.84Å; T461-T463 PolarHBondContact O-N 3.31Å
462	T	30.7	Very low	47.5	Very low	115 Å²	115	107.3 Å²	107.3	71%	0.706	58%	0.584	S	S	*	*			trans	-60.6	88.8	153.7	46.8	0	0	0	0	104.4	T460 T464	T460-T462 PolarHBondContact O-N 2.94Å; T462-T464 PolarHBondContact O-N 2.64Å
463	T	38.2	Very low	50.1	Low	95 Å²	95	98.3 Å²	98.3	58%	0.583	54%	0.542	S	S	*	.			trans	-56.9	117.8	169.1	42.8	0	0	0	0	105.2	E436 T461 G465	E436-T463 VanDerWaalsContact OE1-O 3.13Å; E436-T463 PolarHBondContact OE1-OG1 3.15Å; T461-T463 PolarHBondContact O-N 3.31Å; T463-G465 PolarHBondContact O-N 3.39Å
464	T	49.1	Very low	52.6	Low	138 Å²	138	91.6 Å²	91.6	85%	0.847	51%	0.512	S	S	*	.			trans	-71.6	55.9	175.5	49.6	0	0	0	0	108.5	T462 E466	T462-T464 PolarHBondContact O-N 2.64Å; T464-E466 PolarHBondContact O-N 2.79Å
465	G	58.1	Low	55	Low	22 Å²	22	83.1 Å²	83.1	23%	0.227	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-68.1	128.5	176.1	0	0	0	0	0	108.1	E436 T463 T467	E436-G465 VanDerWaalsContact CD-CA 3.47Å; E436-G465 WeakPolarHBondContact OE1-CA 3.39Å; E436-G465 PolarHBondContact OE1-N 2.82Å; E436-G465 WeakPolarHBondContact OE2-CA 3.5Å; E436-G465 PolarHBondContact OE2-N 2.84Å; T463-G465 PolarHBondContact O-N 3.39Å; G465-T467 PolarHBondContact O-N 2.68Å
466	E	69.8	Low	57.5	Low	139 Å²	139	74.3 Å²	74.3	65%	0.65	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-62.3	133.9	166.2	-66.2	-178.1	162.5	0	0	107.9	N435 T464 W468	N435-E466 PolarHBondContact ND2-O 2.83Å; T464-E466 PolarHBondContact O-N 2.79Å; E466-W468 PolarHBondContact O-N 2.91Å
467	T	75.5	Confident	59.7	Low	11 Å²	11	73.4 Å²	73.4	7%	0.067	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-71	126.4	172.6	-53.9	0	0	0	0	108	N435 E436 L437 L440 G465 F486 S487 G488	N435-T467 WeakPolarHBondContact O-CA 3.44Å; E436-T467 PolarHBondContact O-OG1 2.84Å; L437-T467 HydrophobicContact CD2-CG2 3.92Å; L440-T467 HydrophobicContact CD1-CG2 3.96Å; L440-T467 HydrophobicContact CD2-CG2 4.32Å; L440-T467 HydrophobicContact CG-CG2 4.05Å; G465-T467 PolarHBondContact O-N 2.68Å; T467-F486 HydrophobicContact CG2-CE2 3.75Å; T467-F486 HydrophobicContact CG2-CZ 4.11Å; T467-S487 CarbonylContact O-C 3.5Å; T467-S487 WeakPolarHBondContact O-CA 3.44Å; T467-G488 PolarHBondContact O-N 3.38Å
468	W	81.2	Confident	62.2	Low	71 Å²	71	66.7 Å²	66.7	27%	0.269	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	158.5	177.9	51.8	-107.5	0	0	0	111.5	Q433 A434 N435 E466 Y470 F486	Q433-W468 HydrophobicContact CB-CZ3 3.98Å; A434-W468 WeakPolarHBondContact CA-O 3.19Å; N435-W468 HydrophobicContact CB-CD2 3.52Å; N435-W468 HydrophobicContact CB-CE3 3.95Å; N435-W468 HydrophobicContact CB-CG 4.1Å; N435-W468 HydrophobicContact CB-CH2 3.91Å; N435-W468 HydrophobicContact CB-CZ2 3.41Å; N435-W468 VanDerWaalsContact CB-CZ2 3.41Å; N435-W468 HydrophobicContact CB-CZ3 4.14Å; N435-W468 PolarHBondContact N-O 3.01Å; N435-W468 PolarHBondContact O-N 3.3Å; E466-W468 PolarHBondContact O-N 2.91Å; W468-Y470 HydrophobicContact CB-CE2 4.1Å; W468-Y470 AromaticContact CD2-CD2 3.95Å; W468-Y470 HydrophobicContact CD2-CD2 3.95Å; W468-Y470 AromaticContact CD2-CE2 3.88Å; W468-Y470 HydrophobicContact CD2-CE2 3.88Å; W468-Y470 AromaticContact CE3-CD2 3.36Å; W468-Y470 HydrophobicContact CE3-CD2 3.36Å; W468-Y470 AromaticContact CE3-CE2 3.79Å; W468-Y470 HydrophobicContact CE3-CE2 3.79Å; W468-Y470 HydrophobicContact CG-CD2 4.5Å; W468-Y470 HydrophobicContact CG-CE2 4.07Å; W468-Y470 AromaticContact CZ3-CD2 3.74Å; W468-Y470 HydrophobicContact CZ3-CD2 3.74Å; W468-Y470 HydrophobicContact CZ3-CE2 4.4Å; W468-F486 CarbonylContact C-O 3.49Å; W468-F486 VanDerWaalsContact CA-O 3.25Å; W468-F486 WeakPolarHBondContact CA-O 3.48Å
469	L	81.7	Confident	64.8	Low	30 Å²	30	59.8 Å²	59.8	16%	0.157	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	122.2	175.8	-175	73.8	0	0	0	109.1	I432 Q433 A434 L485 F486	I432-L469 HydrophobicContact CG2-CD1 3.46Å; I432-L469 VanDerWaalsContact CG2-CD1 3.46Å; I432-L469 HydrophobicContact CG2-CG 4.22Å; Q433-L469 CarbonylContact O-C 3.59Å; Q433-L469 WeakPolarHBondContact O-CA 3.37Å; A434-L469 HydrophobicContact CB-CD1 3.46Å; A434-L469 VanDerWaalsContact CB-CD1 3.46Å; L469-L485 HydrophobicContact CB-CB 4.29Å; L469-L485 HydrophobicContact CD2-CB 3.97Å; L469-L485 HydrophobicContact CD2-CD1 3.49Å; L469-L485 VanDerWaalsContact CD2-CD1 3.49Å; L469-L485 HydrophobicContact CD2-CG 4.37Å; L469-L485 HydrophobicContact CG-CB 4.19Å; L469-L485 HydrophobicContact CG-CD1 3.86Å; L469-L485 WeakPolarHBondContact O-CB 3.23Å; L469-L485 PolarHBondContact O-N 2.73Å; L469-F486 HydrophobicContact CB-CD1 3.58Å; L469-F486 HydrophobicContact CB-CE1 3.28Å; L469-F486 HydrophobicContact CB-CG 4.41Å; L469-F486 HydrophobicContact CB-CZ 3.91Å; L469-F486 HydrophobicContact CD2-CD1 4.13Å; L469-F486 HydrophobicContact CD2-CE1 3.78Å; L469-F486 HydrophobicContact CG-CE1 4.14Å; L469-F486 PolarHBondContact N-O 2.96Å; L469-F486 PolarHBondContact O-N 3.44Å
470	Y	83	Confident	67.5	Low	73 Å²	73	56.2 Å²	56.2	29%	0.286	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	151.2	174.9	-73.7	-89.8	0	0	0	110.9	I432 Q433 W468 P482 Y483 E484	I432-Y470 CarbonylContact C-O 3.52Å; I432-Y470 VanDerWaalsContact CA-O 3.32Å; I432-Y470 WeakPolarHBondContact CA-O 3.04Å; Q433-Y470 PolarHBondContact N-O 2.73Å; Q433-Y470 PolarHBondContact O-N 3.41Å; W468-Y470 HydrophobicContact CB-CE2 4.1Å; W468-Y470 AromaticContact CD2-CD2 3.95Å; W468-Y470 HydrophobicContact CD2-CD2 3.95Å; W468-Y470 AromaticContact CD2-CE2 3.88Å; W468-Y470 HydrophobicContact CD2-CE2 3.88Å; W468-Y470 AromaticContact CE3-CD2 3.36Å; W468-Y470 HydrophobicContact CE3-CD2 3.36Å; W468-Y470 AromaticContact CE3-CE2 3.79Å; W468-Y470 HydrophobicContact CE3-CE2 3.79Å; W468-Y470 HydrophobicContact CG-CD2 4.5Å; W468-Y470 HydrophobicContact CG-CE2 4.07Å; W468-Y470 AromaticContact CZ3-CD2 3.74Å; W468-Y470 HydrophobicContact CZ3-CD2 3.74Å; W468-Y470 HydrophobicContact CZ3-CE2 4.4Å; Y470-P482 HydrophobicContact CD1-CB 4.17Å; Y470-Y483 CarbonylContact C-O 3.54Å; Y470-Y483 WeakPolarHBondContact CA-O 3.42Å; Y470-E484 HydrophobicContact CD1-CB 3.87Å; Y470-E484 HydrophobicContact CD1-CG 4.24Å; Y470-E484 HydrophobicContact CE1-CB 3.42Å; Y470-E484 VanDerWaalsContact CE1-CB 3.42Å; Y470-E484 HydrophobicContact CE1-CG 3.66Å; Y470-E484 HydrophobicContact CE2-CG 4.35Å; Y470-E484 PolarHBondContact OH-OE2 3.31Å
471	M	82.1	Confident	69.9	Low	21 Å²	21	52.2 Å²	52.2	10%	0.103	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121.3	172.7	-179.7	-173.1	72.6	0	0	109.8	I430 N431 I432 Y483 L485 F507	I430-M471 HydrophobicContact CG2-CG 4.31Å; N431-M471 CarbonylContact O-C 3.54Å; N431-M471 WeakPolarHBondContact O-CA 2.99Å; I432-M471 HydrophobicContact CG1-CG 4.36Å; M471-Y483 HydrophobicContact CE-CD2 4.29Å; M471-Y483 PolarHBondContact N-O 2.99Å; M471-Y483 PolarHBondContact O-N 2.83Å; M471-L485 HydrophobicContact CB-CD1 4.08Å; M471-L485 HydrophobicContact CB-CG 4.28Å; M471-F507 HydrophobicContact CE-CD2 4.24Å; M471-F507 HydrophobicContact CE-CE2 3.77Å; M471-F507 HydrophobicContact SD-CE2 4.36Å
472	D	83.1	Confident	72.4	Confident	21 Å²	21	50.2 Å²	50.2	11%	0.112	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	136.5	172.3	-39.1	-39.4	0	0	0	108.4	N431 Q433 P482	N431-D472 HydrophobicContact CB-CB 4.12Å; N431-D472 PolarHBondContact N-O 2.85Å; N431-D472 PolarHBondContact ND2-OD2 3Å; N431-D472 PolarHBondContact O-N 3.24Å; Q433-D472 PolarHBondContact NE2-OD2 3.46Å; D472-P482 WeakPolarHBondContact OD1-CA 3.34Å; D472-P482 WeakPolarHBondContact OD1-CB 3.44Å; D472-P482 WeakPolarHBondContact OD1-CG 3.47Å
473	L	82.5	Confident	74.5	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.6	175.8	-172.9	77.6	0	0	0	109.7	L428 N429 I430 Y475 L480 I508 I541	L428-L473 HydrophobicContact CD1-CD1 3.65Å; N429-L473 WeakPolarHBondContact O-CA 3.34Å; I430-L473 HydrophobicContact CD1-CD1 4.48Å; I430-L473 HydrophobicContact CG1-CD1 3.52Å; L473-Y475 HydrophobicContact CD2-CD1 3.69Å; L473-Y475 HydrophobicContact CD2-CE1 4.06Å; L473-Y475 HydrophobicContact CG-CD1 4.09Å; L473-L480 HydrophobicContact CB-CD1 4.45Å; L473-L480 HydrophobicContact CD2-CD1 4.17Å; L473-L480 PolarHBondContact O-N 3.39Å; L473-I508 HydrophobicContact CD2-CD1 3.4Å; L473-I508 VanDerWaalsContact CD2-CD1 3.4Å; L473-I508 HydrophobicContact CD2-CG2 4.28Å; L473-I508 HydrophobicContact CG-CD1 4.5Å; L473-I541 HydrophobicContact CD1-CD1 4.48Å; L473-I541 HydrophobicContact CD2-CD1 4.2Å
474	N	83.1	Confident	76.5	Confident	37 Å²	37	48.1 Å²	48.1	20%	0.198	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.7	164.1	-46.2	-47.6	0	0	0	109.6	L428 N429 I478 S479	L428-N474 CarbonylContact C-O 3.58Å; L428-N474 WeakPolarHBondContact CA-O 3.49Å; N429-N474 HydrophobicContact CB-CB 4.1Å; N429-N474 PolarHBondContact N-O 2.87Å; N429-N474 PolarHBondContact O-N 3.3Å; N474-I478 CarbonylContact C-O 3.51Å; N474-I478 VanDerWaalsContact CA-O 3.23Å; N474-I478 WeakPolarHBondContact CA-O 3.38Å; N474-S479 WeakPolarHBondContact OD1-CA 3.33Å; N474-S479 WeakPolarHBondContact OD1-CB 3.48Å; N474-S479 PolarHBondContact OD1-OG 3.29Å
475	Y	81.2	Confident	77.8	Confident	6 Å²	6	45.2 Å²	45.2	2%	0.024	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	138.3	174	59.3	-86.3	0	0	0	110.6	H274 L427 L473 D477 I478 L480 F510	H274-Y475 PolarHBondContact CE1-OH 3.33Å; H274-Y475 AromaticContact NE2-CE2 3.58Å; H274-Y475 AromaticContact NE2-CZ 3.59Å; H274-Y475 PolarHBondContact NE2-OH 3.36Å; L427-Y475 VanDerWaalsContact O-CA 3.29Å; L427-Y475 WeakPolarHBondContact O-CA 3.45Å; L427-Y475 WeakPolarHBondContact O-CB 3.4Å; L473-Y475 HydrophobicContact CD2-CD1 3.69Å; L473-Y475 HydrophobicContact CD2-CE1 4.06Å; L473-Y475 HydrophobicContact CG-CD1 4.09Å; Y475-D477 PolarHBondContact O-N 2.86Å; Y475-I478 HydrophobicContact CE2-CB 4.47Å; Y475-I478 HydrophobicContact CE2-CD1 4.35Å; Y475-I478 PolarHBondContact N-O 2.95Å; Y475-I478 VanDerWaalsContact O-CB 3.31Å; Y475-I478 WeakPolarHBondContact O-CB 3.41Å; Y475-I478 PolarHBondContact O-N 3.43Å; Y475-L480 HydrophobicContact CE1-CD1 3.77Å; Y475-L480 HydrophobicContact CE1-CD2 4.3Å; Y475-L480 HydrophobicContact CE1-CG 3.86Å; Y475-F510 HydrophobicContact CD1-CE1 4.19Å; Y475-F510 HydrophobicContact CD1-CZ 4.45Å; Y475-F510 HydrophobicContact CD2-CD1 4.34Å; Y475-F510 HydrophobicContact CD2-CD2 4.18Å; Y475-F510 AromaticContact CD2-CE1 3.77Å; Y475-F510 HydrophobicContact CD2-CE1 3.77Å; Y475-F510 AromaticContact CD2-CE2 3.58Å; Y475-F510 HydrophobicContact CD2-CE2 3.58Å; Y475-F510 AromaticContact CD2-CZ 3.32Å; Y475-F510 HydrophobicContact CD2-CZ 3.32Å; Y475-F510 HydrophobicContact CE1-CD1 4.44Å; Y475-F510 HydrophobicContact CE1-CE1 4.29Å; Y475-F510 AromaticContact CE2-CD1 3.97Å; Y475-F510 HydrophobicContact CE2-CD1 3.97Å; Y475-F510 AromaticContact CE2-CD2 3.81Å; Y475-F510 HydrophobicContact CE2-CD2 3.81Å; Y475-F510 AromaticContact CE2-CE1 3.88Å; Y475-F510 HydrophobicContact CE2-CE1 3.88Å; Y475-F510 AromaticContact CE2-CE2 3.71Å; Y475-F510 HydrophobicContact CE2-CE2 3.71Å; Y475-F510 AromaticContact CE2-CG 3.92Å; Y475-F510 HydrophobicContact CE2-CG 3.92Å; Y475-F510 AromaticContact CE2-CZ 3.72Å; Y475-F510 HydrophobicContact CE2-CZ 3.72Å; Y475-F510 AromaticContact CG-CE1 3.94Å; Y475-F510 HydrophobicContact CG-CE1 3.94Å; Y475-F510 HydrophobicContact CG-CE2 4.44Å; Y475-F510 AromaticContact CG-CZ 3.74Å; Y475-F510 HydrophobicContact CG-CZ 3.74Å
476	L	75.9	Confident	78.7	Confident	15 Å²	15	45.3 Å²	45.3	8%	0.079	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.4	46.7	-177.6	-60.2	175.1	0	0	0	112.6	L425 S426 L427 I478 K512 L537	L425-L476 HydrophobicContact CD2-CD2 4.03Å; S426-L476 VanDerWaalsContact O-CA 3.27Å; S426-L476 WeakPolarHBondContact O-CA 3.17Å; S426-L476 PolarHBondContact O-N 3.35Å; L427-L476 HydrophobicContact CD2-CD2 3.9Å; L427-L476 PolarHBondContact O-N 3.39Å; L476-I478 PolarHBondContact O-N 3.12Å; L476-K512 HydrophobicContact CB-CD 4.37Å; L476-K512 HydrophobicContact CD1-CD 3.6Å; L476-K512 HydrophobicContact CD1-CG 4.19Å; L476-K512 PolarHBondContact O-NZ 2.81Å; L476-L537 HydrophobicContact CD1-CD2 3.6Å; L476-L537 HydrophobicContact CG-CD2 4.44Å
477	D	73.6	Confident	79.1	Confident	90 Å²	90	40.3 Å²	40.3	48%	0.481	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	20.8	-175.1	-56.1	-24.5	0	0	0	116.1	L425 S426 Y475	L425-D477 VanDerWaalsContact CD1-OD2 3.23Å; L425-D477 WeakPolarHBondContact CD1-OD2 3.32Å; S426-D477 WeakPolarHBondContact CB-OD1 3.27Å; S426-D477 PolarHBondContact N-OD1 2.87Å; S426-D477 PolarHBondContact O-N 3.07Å; Y475-D477 PolarHBondContact O-N 2.86Å
478	I	77.6	Confident	78.9	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.1	172.5	-56.9	-175	0	0	0	108.4	S273 H274 R313 N474 Y475 L476 K512	S273-I478 WeakPolarHBondContact O-CD1 3.44Å; S273-I478 WeakPolarHBondContact OG-CG2 3.05Å; H274-I478 WeakPolarHBondContact CD2-CD1 3.36Å; R313-I478 VanDerWaalsContact NH2-CD1 3.26Å; R313-I478 VanDerWaalsContact NH2-CG1 3.34Å; N474-I478 CarbonylContact C-O 3.51Å; N474-I478 VanDerWaalsContact CA-O 3.23Å; N474-I478 WeakPolarHBondContact CA-O 3.38Å; Y475-I478 HydrophobicContact CE2-CB 4.47Å; Y475-I478 HydrophobicContact CE2-CD1 4.35Å; Y475-I478 PolarHBondContact N-O 2.95Å; Y475-I478 VanDerWaalsContact O-CB 3.31Å; Y475-I478 WeakPolarHBondContact O-CB 3.41Å; Y475-I478 PolarHBondContact O-N 3.43Å; L476-I478 PolarHBondContact O-N 3.12Å; I478-K512 HydrophobicContact CD1-CD 4.26Å
479	S	79.7	Confident	78.3	Confident	42 Å²	42	39.2 Å²	39.2	29%	0.294	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	124.5	171.4	-68.6	0	0	0	0	110.9	M305 N309 N474	M305-S479 WeakPolarHBondContact CG-O 3.5Å; N309-S479 PolarHBondContact ND2-O 3.01Å; N474-S479 WeakPolarHBondContact OD1-CA 3.33Å; N474-S479 WeakPolarHBondContact OD1-CB 3.48Å; N474-S479 PolarHBondContact OD1-OG 3.29Å
480	L	79	Confident	77.7	Confident	13 Å²	13	41.7 Å²	41.7	7%	0.068	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-86.3	161.8	165.7	-62.8	-176.2	0	0	0	110	P270 L473 Y475 Y483	P270-L480 HydrophobicContact CB-CD2 4.03Å; L473-L480 HydrophobicContact CB-CD1 4.45Å; L473-L480 HydrophobicContact CD2-CD1 4.17Å; L473-L480 PolarHBondContact O-N 3.39Å; Y475-L480 HydrophobicContact CE1-CD1 3.77Å; Y475-L480 HydrophobicContact CE1-CD2 4.3Å; Y475-L480 HydrophobicContact CE1-CG 3.86Å; L480-Y483 HydrophobicContact CB-CE2 4.09Å; L480-Y483 HydrophobicContact CD1-CE2 4Å
481	L	75.8	Confident	77.1	Confident	42 Å²	42	42.3 Å²	42.3	22%	0.22	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-67.2	146.6	169.8	-79.8	-176	0	0	0	110.7	I302 M305 Y483	I302-L481 HydrophobicContact CB-CD1 3.65Å; I302-L481 HydrophobicContact CB-CG 4.33Å; I302-L481 HydrophobicContact CD1-CB 4.39Å; I302-L481 HydrophobicContact CD1-CD1 4.35Å; I302-L481 HydrophobicContact CG1-CD1 4.17Å; I302-L481 HydrophobicContact CG1-CG 4.36Å; I302-L481 VanDerWaalsContact N-CD1 3.29Å; M305-L481 HydrophobicContact CB-CD2 4.31Å; M305-L481 HydrophobicContact CB-CG 4.29Å; M305-L481 HydrophobicContact CE-CD2 3.92Å; L481-Y483 WeakPolarHBondContact O-CD2 3.43Å; L481-Y483 WeakPolarHBondContact O-CE2 3.32Å; L481-Y483 PolarHBondContact O-N 3.24Å
482	P	78.6	Confident	76.5	Confident	70 Å²	70	44.8 Å²	44.8	46%	0.455	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-48.8	128.1	168.3	-28.7	35.7	0	0	0	111.9	Y470 D472	Y470-P482 HydrophobicContact CD1-CB 4.17Å; D472-P482 WeakPolarHBondContact OD1-CA 3.34Å; D472-P482 WeakPolarHBondContact OD1-CB 3.44Å; D472-P482 WeakPolarHBondContact OD1-CG 3.47Å
483	Y	75.3	Confident	75.9	Confident	67 Å²	67	45.2 Å²	45.2	26%	0.263	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.4	173.4	-67	-82.5	0	0	0	109.5	Y470 M471 L480 L481 L485	Y470-Y483 CarbonylContact C-O 3.54Å; Y470-Y483 WeakPolarHBondContact CA-O 3.42Å; M471-Y483 HydrophobicContact CE-CD2 4.29Å; M471-Y483 PolarHBondContact N-O 2.99Å; M471-Y483 PolarHBondContact O-N 2.83Å; L480-Y483 HydrophobicContact CB-CE2 4.09Å; L480-Y483 HydrophobicContact CD1-CE2 4Å; L481-Y483 WeakPolarHBondContact O-CD2 3.43Å; L481-Y483 WeakPolarHBondContact O-CE2 3.32Å; L481-Y483 PolarHBondContact O-N 3.24Å; Y483-L485 PolarHBondContact O-N 2.52Å
484	E	79.6	Confident	75.3	Confident	100 Å²	100	48.2 Å²	48.2	47%	0.467	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	114	168.9	-164.2	-172	131.8	0	0	109.1	Y470 S487	Y470-E484 HydrophobicContact CD1-CB 3.87Å; Y470-E484 HydrophobicContact CD1-CG 4.24Å; Y470-E484 HydrophobicContact CE1-CB 3.42Å; Y470-E484 VanDerWaalsContact CE1-CB 3.42Å; Y470-E484 HydrophobicContact CE1-CG 3.66Å; Y470-E484 HydrophobicContact CE2-CG 4.35Å; Y470-E484 PolarHBondContact OH-OE2 3.31Å; E484-S487 WeakPolarHBondContact OE1-CB 3.37Å; E484-S487 PolarHBondContact OE1-N 3.3Å; E484-S487 PolarHBondContact OE1-OG 3.27Å
485	L	76.8	Confident	74.8	Confident	76 Å²	76	49.5 Å²	49.5	40%	0.398	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-41	172.9	-68.4	175.9	0	0	0	110.2	L469 M471 Y483	L469-L485 HydrophobicContact CB-CB 4.29Å; L469-L485 HydrophobicContact CD2-CB 3.97Å; L469-L485 HydrophobicContact CD2-CD1 3.49Å; L469-L485 VanDerWaalsContact CD2-CD1 3.49Å; L469-L485 HydrophobicContact CD2-CG 4.37Å; L469-L485 HydrophobicContact CG-CB 4.19Å; L469-L485 HydrophobicContact CG-CD1 3.86Å; L469-L485 WeakPolarHBondContact O-CB 3.23Å; L469-L485 PolarHBondContact O-N 2.73Å; M471-L485 HydrophobicContact CB-CD1 4.08Å; M471-L485 HydrophobicContact CB-CG 4.28Å; Y483-L485 PolarHBondContact O-N 2.52Å
486	F	78.5	Confident	74.4	Confident	24 Å²	24	52.8 Å²	52.8	11%	0.105	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	153.6	166.9	72.7	-91	0	0	0	111.1	L437 L440 T467 W468 L469 I493 L496	L437-F486 HydrophobicContact CD2-CE1 4.38Å; L437-F486 HydrophobicContact CD2-CZ 3.65Å; L440-F486 HydrophobicContact CD1-CZ 4.44Å; T467-F486 HydrophobicContact CG2-CE2 3.75Å; T467-F486 HydrophobicContact CG2-CZ 4.11Å; W468-F486 CarbonylContact C-O 3.49Å; W468-F486 VanDerWaalsContact CA-O 3.25Å; W468-F486 WeakPolarHBondContact CA-O 3.48Å; L469-F486 HydrophobicContact CB-CD1 3.58Å; L469-F486 HydrophobicContact CB-CE1 3.28Å; L469-F486 HydrophobicContact CB-CG 4.41Å; L469-F486 HydrophobicContact CB-CZ 3.91Å; L469-F486 HydrophobicContact CD2-CD1 4.13Å; L469-F486 HydrophobicContact CD2-CE1 3.78Å; L469-F486 HydrophobicContact CG-CE1 4.14Å; L469-F486 PolarHBondContact N-O 2.96Å; L469-F486 PolarHBondContact O-N 3.44Å; F486-I493 HydrophobicContact CD2-CD1 4.1Å; F486-I493 HydrophobicContact CD2-CG1 3.84Å; F486-I493 HydrophobicContact CE1-CD1 4.45Å; F486-I493 HydrophobicContact CE2-CD1 3.51Å; F486-I493 HydrophobicContact CE2-CG1 3.79Å; F486-I493 HydrophobicContact CG-CG1 4.28Å; F486-I493 HydrophobicContact CZ-CD1 3.72Å; F486-I493 HydrophobicContact CZ-CG1 4.17Å; F486-L496 HydrophobicContact CB-CD1 3.45Å; F486-L496 VanDerWaalsContact CB-CD1 3.45Å; F486-L496 HydrophobicContact CD1-CD1 4.46Å; F486-L496 HydrophobicContact CG-CD1 4.24Å
487	S	76.7	Confident	74.1	Confident	34 Å²	34	54.3 Å²	54.3	24%	0.238	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.2	160.6	61.6	0	0	0	0	109.7	T467 E484 N492	T467-S487 CarbonylContact O-C 3.5Å; T467-S487 WeakPolarHBondContact O-CA 3.44Å; E484-S487 WeakPolarHBondContact OE1-CB 3.37Å; E484-S487 PolarHBondContact OE1-N 3.3Å; E484-S487 PolarHBondContact OE1-OG 3.27Å; S487-N492 PolarHBondContact O-ND2 2.74Å
488	G	72.6	Confident	74	Confident	21 Å²	21	57.5 Å²	57.5	22%	0.216	32%	0.323	C	S	.	.	S	Bend	trans	100.4	-162.2	174.6	0	0	0	0	0	114.1	T467	T467-G488 PolarHBondContact O-N 3.38Å
489	G	68.1	Low	73.7	Confident	39 Å²	39	60.7 Å²	60.7	40%	0.402	35%	0.346	S	S	.	.	S	Bend	trans	-82.4	-176.4	-171.1	0	0	0	0	0	114.8	S491 N492	G489-S491 PolarHBondContact O-N 3.3Å; G489-N492 PolarHBondContact O-N 3Å; G489-N492 VanDerWaalsContact O-N 3.07Å
490	I	68	Low	73.3	Confident	81 Å²	81	60.4 Å²	60.4	42%	0.415	34%	0.344	S	S	.	.	H	α-helix	trans	-51.2	-29	-179.7	-63.2	149.2	0	0	0	113.1	L440 I443 N492 I493 M494	L440-I490 HydrophobicContact CD2-CG1 3.84Å; I443-I490 HydrophobicContact CD1-CD1 3.44Å; I443-I490 VanDerWaalsContact CD1-CD1 3.44Å; I443-I490 HydrophobicContact CD1-CG1 4Å; I443-I490 HydrophobicContact CG1-CD1 4.27Å; I490-N492 PolarHBondContact O-N 3.01Å; I490-I493 PolarHBondContact O-N 3.43Å; I490-M494 HydrophobicContact CG2-CG 3.9Å; I490-M494 WeakPolarHBondContact O-CB 3.3Å; I490-M494 VanDerWaalsContact O-CG 3.28Å; I490-M494 WeakPolarHBondContact O-CG 3.26Å; I490-M494 PolarHBondContact O-N 3.29Å
491	S	71.5	Confident	73.1	Confident	87 Å²	87	61.8 Å²	61.8	61%	0.608	35%	0.353	S	S	*	.	H	α-helix	trans	-58.9	-43	178	56	0	0	0	0	113.1	G489 I493 M494 S495	G489-S491 PolarHBondContact O-N 3.3Å; S491-I493 VanDerWaalsContact C-N 3.33Å; S491-M494 PolarHBondContact O-N 2.9Å; S491-S495 PolarHBondContact O-N 3.02Å
492	N	69.7	Low	73.4	Confident	73 Å²	73	63.4 Å²	63.4	39%	0.39	37%	0.368	S	S	.	.	H	α-helix	trans	-72.1	-33.1	179.6	-73.7	-4.5	0	0	0	111.1	S487 G489 I490 S495 L496	S487-N492 PolarHBondContact O-ND2 2.74Å; G489-N492 PolarHBondContact O-N 3Å; G489-N492 VanDerWaalsContact O-N 3.07Å; I490-N492 PolarHBondContact O-N 3.01Å; N492-S495 PolarHBondContact O-OG 3.5Å; N492-L496 WeakPolarHBondContact O-CD1 3.4Å; N492-L496 VanDerWaalsContact O-CG 3.29Å; N492-L496 WeakPolarHBondContact O-CG 3.33Å; N492-L496 PolarHBondContact O-N 2.93Å; N492-L496 VanDerWaalsContact O-N 3.08Å
493	I	70.1	Confident	73.8	Confident	29 Å²	29	67 Å²	67	15%	0.149	38%	0.378	C	S	.	.	H	α-helix	trans	-70.8	-41	175.5	-60	-178.2	0	0	0	110.6	L440 F486 I490 S491 S495 L496 L497	L440-I493 HydrophobicContact CD1-CD1 3.18Å; L440-I493 HydrophobicContact CD2-CD1 3.34Å; L440-I493 HydrophobicContact CG-CD1 3.84Å; F486-I493 HydrophobicContact CD2-CD1 4.1Å; F486-I493 HydrophobicContact CD2-CG1 3.84Å; F486-I493 HydrophobicContact CE1-CD1 4.45Å; F486-I493 HydrophobicContact CE2-CD1 3.51Å; F486-I493 HydrophobicContact CE2-CG1 3.79Å; F486-I493 HydrophobicContact CG-CG1 4.28Å; F486-I493 HydrophobicContact CZ-CD1 3.72Å; F486-I493 HydrophobicContact CZ-CG1 4.17Å; I490-I493 PolarHBondContact O-N 3.43Å; S491-I493 VanDerWaalsContact C-N 3.33Å; I493-S495 VanDerWaalsContact C-N 3.33Å; I493-S495 PolarHBondContact O-N 3.3Å; I493-L496 PolarHBondContact O-N 3.14Å; I493-L497 HydrophobicContact CG2-CD1 3.87Å; I493-L497 HydrophobicContact CG2-CG 4.14Å; I493-L497 WeakPolarHBondContact O-CB 3.46Å; I493-L497 VanDerWaalsContact O-CG 3.27Å; I493-L497 WeakPolarHBondContact O-CG 3.41Å; I493-L497 PolarHBondContact O-N 3.28Å
494	M	69.7	Low	74.3	Confident	66 Å²	66	67.1 Å²	67.1	33%	0.325	38%	0.38	S	S	.	.	H	α-helix	trans	-63.8	-40.2	176.8	-70.8	-63.5	-85.3	0	0	111.1	I490 S491 L496 L497 F498 I549	I490-M494 HydrophobicContact CG2-CG 3.9Å; I490-M494 WeakPolarHBondContact O-CB 3.3Å; I490-M494 VanDerWaalsContact O-CG 3.28Å; I490-M494 WeakPolarHBondContact O-CG 3.26Å; I490-M494 PolarHBondContact O-N 3.29Å; S491-M494 PolarHBondContact O-N 2.9Å; M494-L496 VanDerWaalsContact C-N 3.32Å; M494-L496 PolarHBondContact O-N 3.27Å; M494-L497 PolarHBondContact O-N 2.99Å; M494-L497 HydrophobicContact SD-CD1 4.23Å; M494-F498 HydrophobicContact CB-CD2 4.31Å; M494-F498 HydrophobicContact CB-CE2 4.14Å; M494-F498 HydrophobicContact CE-CE2 3.81Å; M494-F498 HydrophobicContact CE-CZ 3.84Å; M494-F498 WeakPolarHBondContact O-CB 3.34Å; M494-F498 WeakPolarHBondContact O-CD2 3.03Å; M494-F498 WeakPolarHBondContact O-CG 3.41Å; M494-F498 PolarHBondContact O-N 2.67Å; M494-I549 HydrophobicContact CE-CD1 4.34Å
495	S	73.9	Confident	74.5	Confident	65 Å²	65	67.6 Å²	67.6	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-64.1	-37.4	174.7	68.1	0	0	0	0	112.3	S491 N492 I493 S499	S491-S495 PolarHBondContact O-N 3.02Å; N492-S495 PolarHBondContact O-OG 3.5Å; I493-S495 VanDerWaalsContact C-N 3.33Å; I493-S495 PolarHBondContact O-N 3.3Å; S495-S499 WeakPolarHBondContact O-CB 3.42Å; S495-S499 PolarHBondContact O-N 2.91Å; S495-S499 PolarHBondContact O-OG 3.45Å
496	L	72.5	Confident	74.9	Confident	74 Å²	74	66.9 Å²	66.9	39%	0.387	38%	0.381	S	S	.	.	H	α-helix	trans	-67	-44.5	173.3	-73.6	165.5	0	0	0	112.5	F486 N492 I493 M494 F498 S499 S500	F486-L496 HydrophobicContact CB-CD1 3.45Å; F486-L496 VanDerWaalsContact CB-CD1 3.45Å; F486-L496 HydrophobicContact CD1-CD1 4.46Å; F486-L496 HydrophobicContact CG-CD1 4.24Å; N492-L496 WeakPolarHBondContact O-CD1 3.4Å; N492-L496 VanDerWaalsContact O-CG 3.29Å; N492-L496 WeakPolarHBondContact O-CG 3.33Å; N492-L496 PolarHBondContact O-N 2.93Å; N492-L496 VanDerWaalsContact O-N 3.08Å; I493-L496 PolarHBondContact O-N 3.14Å; M494-L496 VanDerWaalsContact C-N 3.32Å; M494-L496 PolarHBondContact O-N 3.27Å; L496-F498 VanDerWaalsContact C-N 3.34Å; L496-F498 PolarHBondContact O-N 3.34Å; L496-S499 WeakPolarHBondContact CA-OG 3.04Å; L496-S499 CarbonylContact O-C 3.59Å; L496-S499 PolarHBondContact O-N 2.89Å; L496-S499 PolarHBondContact O-OG 3.01Å; L496-S499 VanDerWaalsContact O-OG 3.04Å; L496-S500 WeakPolarHBondContact O-CB 3.32Å; L496-S500 PolarHBondContact O-N 3.04Å
497	L	69.8	Low	75.1	Confident	47 Å²	47	70 Å²	70	25%	0.246	40%	0.395	C	S	.	.	H	α-helix	trans	-63.7	-39.9	177	-70.8	173.5	0	0	0	111.4	I493 M494 S499 S500 T547	I493-L497 HydrophobicContact CG2-CD1 3.87Å; I493-L497 HydrophobicContact CG2-CG 4.14Å; I493-L497 WeakPolarHBondContact O-CB 3.46Å; I493-L497 VanDerWaalsContact O-CG 3.27Å; I493-L497 WeakPolarHBondContact O-CG 3.41Å; I493-L497 PolarHBondContact O-N 3.28Å; M494-L497 PolarHBondContact O-N 2.99Å; M494-L497 HydrophobicContact SD-CD1 4.23Å; L497-S499 VanDerWaalsContact C-N 3.33Å; L497-S500 WeakPolarHBondContact O-CB 3.41Å; L497-S500 PolarHBondContact O-N 3.39Å; L497-S500 PolarHBondContact O-OG 3.45Å; L497-T547 HydrophobicContact CD2-CG2 3.65Å
498	F	70.5	Confident	75.4	Confident	157 Å²	157	69.1 Å²	69.1	69%	0.689	39%	0.387	S	S	*	.	H	α-helix	trans	-72.7	-24	176.2	-71.5	-53.1	0	0	0	113.8	M494 L496	M494-F498 HydrophobicContact CB-CD2 4.31Å; M494-F498 HydrophobicContact CB-CE2 4.14Å; M494-F498 HydrophobicContact CE-CE2 3.81Å; M494-F498 HydrophobicContact CE-CZ 3.84Å; M494-F498 WeakPolarHBondContact O-CB 3.34Å; M494-F498 WeakPolarHBondContact O-CD2 3.03Å; M494-F498 WeakPolarHBondContact O-CG 3.41Å; M494-F498 PolarHBondContact O-N 2.67Å; L496-F498 VanDerWaalsContact C-N 3.34Å; L496-F498 PolarHBondContact O-N 3.34Å
499	S	72.3	Confident	76.1	Confident	68 Å²	68	69.7 Å²	69.7	48%	0.476	38%	0.384	S	S	.	.	H	α-helix	trans	-91.4	-10.6	174	58.9	0	0	0	0	113.5	S495 L496 L497	S495-S499 WeakPolarHBondContact O-CB 3.42Å; S495-S499 PolarHBondContact O-N 2.91Å; S495-S499 PolarHBondContact O-OG 3.45Å; L496-S499 WeakPolarHBondContact CA-OG 3.04Å; L496-S499 CarbonylContact O-C 3.59Å; L496-S499 PolarHBondContact O-N 2.89Å; L496-S499 PolarHBondContact O-OG 3.01Å; L496-S499 VanDerWaalsContact O-OG 3.04Å; L497-S499 VanDerWaalsContact C-N 3.33Å
500	S	69.5	Low	76.9	Confident	35 Å²	35	68 Å²	68	25%	0.245	37%	0.366	C	S	.	.			trans	-64.6	140.1	177.1	75.1	0	0	0	0	111.1	L496 L497	L496-S500 WeakPolarHBondContact O-CB 3.32Å; L496-S500 PolarHBondContact O-N 3.04Å; L497-S500 WeakPolarHBondContact O-CB 3.41Å; L497-S500 PolarHBondContact O-N 3.39Å; L497-S500 PolarHBondContact O-OG 3.45Å
501	T	75.9	Confident	77.9	Confident	43 Å²	43	64.1 Å²	64.1	26%	0.264	35%	0.346	S	S	.	.			trans	-125.9	142.2	-178.6	55.9	0	0	0	0	109.8	Q503 K505 L545	T501-Q503 PolarHBondContact O-N 2.54Å; T501-Q503 PolarHBondContact OG1-O 3.33Å; T501-Q503 VanDerWaalsContact OG1-O 3.07Å; T501-K505 VanDerWaalsContact OG1-CE 3.22Å; T501-K505 WeakPolarHBondContact OG1-CE 3.33Å; T501-L545 CarbonylContact C-O 3.58Å; T501-L545 VanDerWaalsContact C-O 3.26Å; T501-L545 PolarHBondContact O-N 3.24Å
502	S	81.6	Confident	78.6	Confident	76 Å²	76	60.6 Å²	60.6	53%	0.531	32%	0.32	S	S	.	.	S	Bend	trans	-67.3	-11.8	167.3	57.7	0	0	0	0	113.1	A544 E546	S502-A544 WeakPolarHBondContact O-CB 3.37Å; S502-E546 WeakPolarHBondContact CB-OE1 3.27Å
503	Q	86.6	Confident	79.5	Confident	145 Å²	145	57.1 Å²	57.1	68%	0.678	30%	0.301	S	S	*	.	S	Bend	trans	-84.3	136.9	174.4	-65.5	-178.2	-13.2	0	0	110.7	T501 K505	T501-Q503 PolarHBondContact O-N 2.54Å; T501-Q503 PolarHBondContact OG1-O 3.33Å; T501-Q503 VanDerWaalsContact OG1-O 3.07Å; Q503-K505 PolarHBondContact O-N 3.25Å
504	F	85.6	Confident	80	Confident	69 Å²	69	58.3 Å²	58.3	30%	0.303	31%	0.311	S	S	.	.			trans	-60.6	122.4	174	-74	-74.7	0	0	0	111.1	S542 N543 A544 N557 R559	F504-S542 WeakPolarHBondContact CD1-OG 3.47Å; F504-N543 WeakPolarHBondContact CA-O 3.46Å; F504-A544 HydrophobicContact CD1-CB 3.74Å; F504-A544 HydrophobicContact CD2-CB 4.46Å; F504-A544 HydrophobicContact CE1-CB 3.92Å; F504-A544 HydrophobicContact CG-CB 4.04Å; F504-A544 HydrophobicContact CZ-CB 4.39Å; F504-N557 HydrophobicContact CE1-CB 4.13Å; F504-N557 WeakPolarHBondContact CE1-O 3.45Å; F504-N557 HydrophobicContact CZ-CB 4.28Å; F504-N557 WeakPolarHBondContact CZ-ND2 3.38Å; F504-R559 HydrophobicContact CD1-CB 4Å; F504-R559 HydrophobicContact CE1-CB 3.46Å; F504-R559 VanDerWaalsContact CE1-CB 3.46Å; F504-R559 HydrophobicContact CZ-CB 3.95Å
505	K	85.7	Confident	80.7	Confident	110 Å²	110	58 Å²	58	48%	0.478	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.7	169.6	-72	179	177.7	169.3	0	108.9	T501 Q503 F507 S542 N543	T501-K505 VanDerWaalsContact OG1-CE 3.22Å; T501-K505 WeakPolarHBondContact OG1-CE 3.33Å; Q503-K505 PolarHBondContact O-N 3.25Å; K505-F507 PolarHBondContact O-N 2.92Å; K505-S542 VanDerWaalsContact O-CA 3.28Å; K505-S542 WeakPolarHBondContact O-CA 3.2Å; K505-N543 PolarHBondContact N-O 2.88Å; K505-N543 PolarHBondContact O-N 3.23Å
506	P	84.7	Confident	81.1	Confident	62 Å²	62	57 Å²	57	40%	0.403	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	132	173	28.6	-32.8	0	0	0	108.9	Q509 R540 I541	P506-Q509 HydrophobicContact CB-CG 4.26Å; P506-R540 HydrophobicContact CB-CG 4.1Å; P506-I541 WeakPolarHBondContact CA-O 3.49Å
507	F	81.6	Confident	81.5	Confident	89 Å²	89	58.7 Å²	58.7	39%	0.39	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-23.8	174.7	64	-87	0	0	0	111.9	M471 K505 I541 N543 V558	M471-F507 HydrophobicContact CE-CD2 4.24Å; M471-F507 HydrophobicContact CE-CE2 3.77Å; M471-F507 HydrophobicContact SD-CE2 4.36Å; K505-F507 PolarHBondContact O-N 2.92Å; F507-I541 WeakPolarHBondContact CD1-O 3.42Å; F507-I541 HydrophobicContact CE1-CB 4.08Å; F507-I541 HydrophobicContact CE1-CG2 3.55Å; F507-I541 HydrophobicContact CE2-CB 4.34Å; F507-I541 HydrophobicContact CE2-CG2 4.13Å; F507-I541 HydrophobicContact CZ-CB 3.85Å; F507-I541 HydrophobicContact CZ-CG2 3.26Å; F507-I541 PolarHBondContact N-O 3.01Å; F507-N543 HydrophobicContact CD1-CB 4.01Å; F507-N543 HydrophobicContact CE1-CB 3.89Å; F507-V558 HydrophobicContact CE1-CG1 4.46Å; F507-V558 HydrophobicContact CZ-CG1 4.41Å
508	I	83.1	Confident	81.9	Confident	16 Å²	16	64.1 Å²	64.1	8%	0.082	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	130.8	173.6	-69.7	170	0	0	0	109.4	L473 F510 I541	L473-I508 HydrophobicContact CD2-CD1 3.4Å; L473-I508 VanDerWaalsContact CD2-CD1 3.4Å; L473-I508 HydrophobicContact CD2-CG2 4.28Å; L473-I508 HydrophobicContact CG-CD1 4.5Å; I508-F510 HydrophobicContact CG2-CD1 3.88Å; I508-F510 HydrophobicContact CG2-CE1 4.28Å; I508-I541 HydrophobicContact CB-CB 4.26Å; I508-I541 HydrophobicContact CB-CD1 4.4Å; I508-I541 HydrophobicContact CB-CG1 4.37Å; I508-I541 HydrophobicContact CG2-CD1 4.29Å; I508-I541 HydrophobicContact CG2-CG1 4.43Å; I508-I541 PolarHBondContact N-O 3.38Å; I508-I541 PolarHBondContact O-N 2.88Å
509	Q	87.1	Confident	82	Confident	33 Å²	33	59.9 Å²	59.9	15%	0.154	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	126.7	174.1	-66.9	-173.8	-14.5	0	0	108.1	N156 I159 P506 I539 R540	N156-Q509 PolarHBondContact O-NE2 3.27Å; I159-Q509 HydrophobicContact CG2-CB 4.38Å; P506-Q509 HydrophobicContact CB-CG 4.26Å; Q509-I539 WeakPolarHBondContact CA-O 3.17Å; Q509-R540 HydrophobicContact CG-CB 4.39Å; Q509-R540 HydrophobicContact CG-CG 4Å
510	F	85.6	Confident	82.1	Confident	3 Å²	3	62.1 Å²	62.1	1%	0.013	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	153.1	173.8	62.7	-93.7	0	0	0	112.4	Y475 I508 K512 L537 T538 I539	Y475-F510 HydrophobicContact CD1-CE1 4.19Å; Y475-F510 HydrophobicContact CD1-CZ 4.45Å; Y475-F510 HydrophobicContact CD2-CD1 4.34Å; Y475-F510 HydrophobicContact CD2-CD2 4.18Å; Y475-F510 AromaticContact CD2-CE1 3.77Å; Y475-F510 HydrophobicContact CD2-CE1 3.77Å; Y475-F510 AromaticContact CD2-CE2 3.58Å; Y475-F510 HydrophobicContact CD2-CE2 3.58Å; Y475-F510 AromaticContact CD2-CZ 3.32Å; Y475-F510 HydrophobicContact CD2-CZ 3.32Å; Y475-F510 HydrophobicContact CE1-CD1 4.44Å; Y475-F510 HydrophobicContact CE1-CE1 4.29Å; Y475-F510 AromaticContact CE2-CD1 3.97Å; Y475-F510 HydrophobicContact CE2-CD1 3.97Å; Y475-F510 AromaticContact CE2-CD2 3.81Å; Y475-F510 HydrophobicContact CE2-CD2 3.81Å; Y475-F510 AromaticContact CE2-CE1 3.88Å; Y475-F510 HydrophobicContact CE2-CE1 3.88Å; Y475-F510 AromaticContact CE2-CE2 3.71Å; Y475-F510 HydrophobicContact CE2-CE2 3.71Å; Y475-F510 AromaticContact CE2-CG 3.92Å; Y475-F510 HydrophobicContact CE2-CG 3.92Å; Y475-F510 AromaticContact CE2-CZ 3.72Å; Y475-F510 HydrophobicContact CE2-CZ 3.72Å; Y475-F510 AromaticContact CG-CE1 3.94Å; Y475-F510 HydrophobicContact CG-CE1 3.94Å; Y475-F510 HydrophobicContact CG-CE2 4.44Å; Y475-F510 AromaticContact CG-CZ 3.74Å; Y475-F510 HydrophobicContact CG-CZ 3.74Å; I508-F510 HydrophobicContact CG2-CD1 3.88Å; I508-F510 HydrophobicContact CG2-CE1 4.28Å; F510-K512 HydrophobicContact CD2-CB 4.39Å; F510-L537 HydrophobicContact CE2-CD2 4.5Å; F510-T538 WeakPolarHBondContact O-CA 3.42Å; F510-I539 HydrophobicContact CD1-CB 4.18Å; F510-I539 HydrophobicContact CD1-CG2 4.41Å; F510-I539 HydrophobicContact CD2-CB 4.38Å; F510-I539 HydrophobicContact CE1-CB 3.65Å; F510-I539 HydrophobicContact CE1-CD1 4.25Å; F510-I539 HydrophobicContact CE1-CG1 4.49Å; F510-I539 HydrophobicContact CE1-CG2 3.68Å; F510-I539 HydrophobicContact CE2-CB 3.88Å; F510-I539 HydrophobicContact CE2-CD1 3.7Å; F510-I539 HydrophobicContact CE2-CG1 4.08Å; F510-I539 HydrophobicContact CZ-CB 3.5Å; F510-I539 HydrophobicContact CZ-CD1 3.33Å; F510-I539 HydrophobicContact CZ-CG1 3.86Å; F510-I539 HydrophobicContact CZ-CG2 3.88Å; F510-I539 PolarHBondContact N-O 2.82Å; F510-I539 PolarHBondContact O-N 3.34Å
511	I	88.5	Confident	82.1	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	121.7	173.9	-60.9	164.5	0	0	0	106.3	I159 I168 Q214 D217 I218 N221 T538	I159-I511 HydrophobicContact CD1-CD1 4.09Å; I159-I511 HydrophobicContact CD1-CG1 4.46Å; I168-I511 HydrophobicContact CD1-CB 4.44Å; I168-I511 HydrophobicContact CD1-CD1 3.56Å; I168-I511 HydrophobicContact CD1-CG1 3.8Å; I168-I511 HydrophobicContact CD1-CG2 3.78Å; I168-I511 HydrophobicContact CG1-CD1 4.31Å; I168-I511 HydrophobicContact CG1-CG2 4.44Å; I168-I511 HydrophobicContact CG2-CG2 3.76Å; Q214-I511 HydrophobicContact CB-CD1 4.13Å; D217-I511 HydrophobicContact CB-CB 4.02Å; D217-I511 HydrophobicContact CB-CD1 4.18Å; I218-I511 HydrophobicContact CG1-CD1 4.47Å; N221-I511 PolarHBondContact ND2-O 3.19Å; I511-T538 HydrophobicContact CG1-CG2 4.06Å; I511-T538 HydrophobicContact CG2-CG2 4.4Å
512	K	87.3	Confident	82	Confident	13 Å²	13	65.3 Å²	65.3	6%	0.057	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143.1	176.6	178.9	161.8	169	-173.9	0	109.8	L476 I478 F510 P514 L537	L476-K512 HydrophobicContact CB-CD 4.37Å; L476-K512 HydrophobicContact CD1-CD 3.6Å; L476-K512 HydrophobicContact CD1-CG 4.19Å; L476-K512 PolarHBondContact O-NZ 2.81Å; I478-K512 HydrophobicContact CD1-CD 4.26Å; F510-K512 HydrophobicContact CD2-CB 4.39Å; K512-P514 WeakPolarHBondContact O-CD 3.4Å; K512-L537 PolarHBondContact N-O 3.26Å; K512-L537 PolarHBondContact O-N 2.82Å
513	L	87.4	Confident	81.5	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	93.7	166.1	-68.7	105.3	0	0	0	110.3	I169 I172 N221 N276 I515 I534 V535	I169-L513 HydrophobicContact CG1-CD2 4.5Å; I172-L513 HydrophobicContact CD1-CD1 3.32Å; I172-L513 HydrophobicContact CD1-CD2 4.36Å; I172-L513 HydrophobicContact CD1-CG 4.45Å; N221-L513 HydrophobicContact CB-CD1 3.35Å; N221-L513 PolarHBondContact OD1-N 3.44Å; N276-L513 PolarHBondContact ND2-O 3.34Å; L513-I515 PolarHBondContact O-N 3.29Å; L513-I534 HydrophobicContact CD2-CG2 3.23Å; L513-V535 CarbonylContact C-O 3.53Å; L513-V535 WeakPolarHBondContact CA-O 3.2Å; L513-V535 VanDerWaalsContact CB-O 3.28Å; L513-V535 WeakPolarHBondContact CB-O 3.24Å; L513-V535 WeakPolarHBondContact CG-O 3.46Å
514	P	81.1	Confident	80.9	Confident	54 Å²	54	65 Å²	65	35%	0.351	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	-30.4	180	25.2	-35.5	0	0	0	112.7	K512 V535 L537	K512-P514 WeakPolarHBondContact O-CD 3.4Å; P514-V535 VanDerWaalsContact CD-O 3.31Å; P514-V535 WeakPolarHBondContact CD-O 3.17Å; P514-V535 HydrophobicContact CG-CB 4.13Å; P514-V535 HydrophobicContact CG-CG1 3.66Å; P514-L537 HydrophobicContact CG-CB 4.31Å
515	I	83.5	Confident	80.2	Confident	60 Å²	60	65.3 Å²	65.3	31%	0.308	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.9	174.8	-57.5	175	0	0	0	108.5	L513 Q517 I534 V535	L513-I515 PolarHBondContact O-N 3.29Å; I515-Q517 HydrophobicContact CG2-CG 4.16Å; I515-I534 WeakPolarHBondContact O-CA 3.22Å; I515-V535 HydrophobicContact CB-CB 3.86Å; I515-V535 HydrophobicContact CB-CG2 3.75Å; I515-V535 HydrophobicContact CD1-CG2 3.92Å; I515-V535 HydrophobicContact CG1-CB 4.36Å; I515-V535 HydrophobicContact CG1-CG2 4.16Å; I515-V535 PolarHBondContact O-N 2.94Å
516	D	84.4	Confident	79.4	Confident	44 Å²	44	60.7 Å²	60.7	24%	0.235	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	91.3	176.5	178.2	29.5	0	0	0	108.2	R176	R176-D516 IonicContact CZ-OD1 3.97Å; R176-D516 IonicContact CZ-OD2 3.01Å; R176-D516 VanDerWaalsContact CZ-OD2 3.28Å; R176-D516 VanDerWaalsContact NH1-CG 3.33Å; R176-D516 IonicContact NH1-OD1 3.86Å; R176-D516 PolarHBondContact NH1-OD1 3.47Å; R176-D516 IonicContact NH1-OD2 2.74Å; R176-D516 PolarHBondContact NH1-OD2 3.48Å; R176-D516 VanDerWaalsContact NH2-CG 3.29Å; R176-D516 IonicContact NH2-OD1 2.96Å; R176-D516 PolarHBondContact NH2-OD1 3.49Å; R176-D516 IonicContact NH2-OD2 2.65Å; R176-D516 PolarHBondContact NH2-OD2 2.81Å
517	Q	79.9	Confident	78.7	Confident	109 Å²	109	60.9 Å²	60.9	51%	0.509	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.8	-174.3	-65.8	-177.1	-4.2	0	0	109.8	I515 H533	I515-Q517 HydrophobicContact CG2-CG 4.16Å; Q517-H533 HydrophobicContact CB-CB 4.48Å; Q517-H533 PolarHBondContact N-O 3.33Å; Q517-H533 PolarHBondContact O-N 2.82Å
518	R	78.5	Confident	78.3	Confident	161 Å²	161	58 Å²	58	61%	0.608	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	117.9	169.3	177.6	157.6	-171	-157.1	-1.6	108.4	Q530 L531 D532	R518-Q530 VanDerWaalsContact NE-NE2 3.13Å; R518-Q530 VanDerWaalsContact NH2-CD 3.27Å; R518-L531 WeakPolarHBondContact CA-O 2.97Å; R518-D532 WeakPolarHBondContact CD-OD1 3.37Å; R518-D532 WeakPolarHBondContact CG-OD1 3.27Å; R518-D532 IonicContact NE-OD1 2.62Å; R518-D532 PolarHBondContact NE-OD1 3.01Å
519	I	71.9	Confident	77.8	Confident	67 Å²	67	59.2 Å²	59.2	34%	0.344	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.7	178.1	-57.7	178.7	0	0	0	107.2	Q530 L531	I519-Q530 CarbonylContact O-C 3.56Å; I519-Q530 WeakPolarHBondContact O-CA 3.38Å; I519-L531 HydrophobicContact CB-CB 4.4Å; I519-L531 HydrophobicContact CD1-CD2 4.38Å; I519-L531 PolarHBondContact N-O 3.01Å; I519-L531 PolarHBondContact O-N 2.76Å
520	Q	74.7	Confident	77.4	Confident	115 Å²	115	58.7 Å²	58.7	54%	0.537	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.7	173.6	-169.5	175.5	-0.8	0	0	108.2	L528 I529	Q520-L528 HydrophobicContact CG-CD1 4.43Å; Q520-L528 HydrophobicContact CG-CD2 4.04Å; Q520-L528 HydrophobicContact CG-CG 4.32Å; Q520-I529 CarbonylContact C-O 3.46Å; Q520-I529 WeakPolarHBondContact CA-O 3.48Å
521	T	69.9	Low	77.1	Confident	44 Å²	44	61.2 Å²	61.2	27%	0.27	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	144.4	179.9	-169	0	0	0	0	110.3	I529	T521-I529 HydrophobicContact CG2-CB 3.94Å; T521-I529 HydrophobicContact CG2-CG1 4.34Å; T521-I529 PolarHBondContact N-O 3.18Å; T521-I529 PolarHBondContact O-N 2.84Å
522	T	72.4	Confident	76.8	Confident	102 Å²	102	62.3 Å²	62.3	63%	0.626	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.7	173.3	50.8	0	0	0	0	108.9	L528	T522-L528 HydrophobicContact CG2-CD1 4.15Å; T522-L528 HydrophobicContact CG2-CG 4.45Å
523	L	71.6	Confident	76.7	Confident	74 Å²	74	63.5 Å²	63.5	39%	0.387	34%	0.339	S	S	.	.			trans	-82.1	156.4	174.1	-65.6	179.5	0	0	0	110.6	S525 G526 W527 I529	L523-S525 WeakPolarHBondContact CB-OG 3.41Å; L523-S525 PolarHBondContact O-N 3.29Å; L523-S525 VanDerWaalsContact O-N 3.13Å; L523-G526 PolarHBondContact O-N 2.98Å; L523-G526 VanDerWaalsContact O-N 3.1Å; L523-W527 HydrophobicContact CB-CB 4.28Å; L523-W527 HydrophobicContact CD1-CB 3.94Å; L523-W527 HydrophobicContact CG-CB 4.44Å; L523-W527 PolarHBondContact N-O 2.83Å; L523-I529 HydrophobicContact CD1-CD1 3.66Å; L523-I529 HydrophobicContact CD1-CG1 3.99Å; L523-I529 HydrophobicContact CD2-CD1 3.91Å; L523-I529 HydrophobicContact CD2-CG1 4.44Å; L523-I529 HydrophobicContact CG-CD1 3.8Å; L523-I529 HydrophobicContact CG-CG1 3.92Å
524	S	74.2	Confident	76.8	Confident	140 Å²	140	64 Å²	64	98%	0.979	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.2	172.5	53.4	0	0	0	0	113.5	G526	S524-G526 VanDerWaalsContact C-N 3.28Å
525	S	71.4	Confident	77.2	Confident	75 Å²	75	61.6 Å²	61.6	52%	0.524	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-2.3	175.8	54.2	0	0	0	0	114.2	L523 W527	L523-S525 WeakPolarHBondContact CB-OG 3.41Å; L523-S525 PolarHBondContact O-N 3.29Å; L523-S525 VanDerWaalsContact O-N 3.13Å; S525-W527 VanDerWaalsContact C-N 3.33Å; S525-W527 VanDerWaalsContact OG-CD1 3.28Å
526	G	69.1	Low	77.5	Confident	13 Å²	13	58.7 Å²	58.7	13%	0.134	31%	0.311	C	S	.	.	S	Bend	trans	89.7	-5.4	-174.6	0	0	0	0	0	114.3	L523 S524	L523-G526 PolarHBondContact O-N 2.98Å; L523-G526 VanDerWaalsContact O-N 3.1Å; S524-G526 VanDerWaalsContact C-N 3.28Å
527	W	70.3	Confident	77.8	Confident	66 Å²	66	57.5 Å²	57.5	25%	0.25	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	137.8	177.5	-72.1	68	0	0	0	111.9	L523 S525 L572 V573 E574 S586	L523-W527 HydrophobicContact CB-CB 4.28Å; L523-W527 HydrophobicContact CD1-CB 3.94Å; L523-W527 HydrophobicContact CG-CB 4.44Å; L523-W527 PolarHBondContact N-O 2.83Å; S525-W527 VanDerWaalsContact C-N 3.33Å; S525-W527 VanDerWaalsContact OG-CD1 3.28Å; W527-L572 HydrophobicContact CE3-CB 4.11Å; W527-L572 HydrophobicContact CZ3-CB 4.1Å; W527-V573 CarbonylContact C-O 3.59Å; W527-V573 WeakPolarHBondContact CA-O 3.19Å; W527-E574 HydrophobicContact CD2-CB 3.88Å; W527-E574 HydrophobicContact CD2-CG 4.26Å; W527-E574 HydrophobicContact CE3-CB 3.95Å; W527-E574 HydrophobicContact CH2-CB 3.88Å; W527-E574 HydrophobicContact CZ2-CB 3.73Å; W527-E574 VanDerWaalsContact CZ2-CD 3.49Å; W527-E574 HydrophobicContact CZ2-CG 3.97Å; W527-E574 WeakPolarHBondContact CZ2-OE2 3.46Å; W527-E574 HydrophobicContact CZ3-CB 3.95Å; W527-E574 PolarHBondContact NE1-OE1 3.04Å; W527-S586 WeakPolarHBondContact CH2-OG 3.39Å; W527-S586 WeakPolarHBondContact CZ2-OG 3.3Å
528	L	71.6	Confident	78.4	Confident	29 Å²	29	52.3 Å²	52.3	15%	0.152	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	121	170.4	-171.9	142.5	0	0	0	109.5	Q520 T522 Q530 V573 L575	Q520-L528 HydrophobicContact CG-CD1 4.43Å; Q520-L528 HydrophobicContact CG-CD2 4.04Å; Q520-L528 HydrophobicContact CG-CG 4.32Å; T522-L528 HydrophobicContact CG2-CD1 4.15Å; T522-L528 HydrophobicContact CG2-CG 4.45Å; L528-Q530 HydrophobicContact CD2-CB 4.43Å; L528-V573 HydrophobicContact CB-CB 4.43Å; L528-V573 PolarHBondContact N-O 2.76Å; L528-V573 PolarHBondContact O-N 2.91Å; L528-L575 HydrophobicContact CB-CD1 4.1Å; L528-L575 HydrophobicContact CD1-CD1 4.15Å
529	I	74.1	Confident	78.9	Confident	42 Å²	42	45.7 Å²	45.7	22%	0.215	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.6	173.1	-43.6	-165	0	0	0	108.5	Q520 T521 L523 I570 H571 L572	Q520-I529 CarbonylContact C-O 3.46Å; Q520-I529 WeakPolarHBondContact CA-O 3.48Å; T521-I529 HydrophobicContact CG2-CB 3.94Å; T521-I529 HydrophobicContact CG2-CG1 4.34Å; T521-I529 PolarHBondContact N-O 3.18Å; T521-I529 PolarHBondContact O-N 2.84Å; L523-I529 HydrophobicContact CD1-CD1 3.66Å; L523-I529 HydrophobicContact CD1-CG1 3.99Å; L523-I529 HydrophobicContact CD2-CD1 3.91Å; L523-I529 HydrophobicContact CD2-CG1 4.44Å; L523-I529 HydrophobicContact CG-CD1 3.8Å; L523-I529 HydrophobicContact CG-CG1 3.92Å; I529-I570 HydrophobicContact CG2-CG2 4.35Å; I529-H571 CarbonylContact C-O 3.5Å; I529-H571 WeakPolarHBondContact CA-O 3.3Å; I529-L572 HydrophobicContact CB-CD2 4.02Å; I529-L572 HydrophobicContact CD1-CD2 3.69Å; I529-L572 HydrophobicContact CG1-CD2 3.47Å; I529-L572 VanDerWaalsContact CG1-CD2 3.47Å; I529-L572 HydrophobicContact CG2-CD2 3.84Å
530	Q	77.7	Confident	79.8	Confident	21 Å²	21	44.2 Å²	44.2	10%	0.098	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.3	164.4	174	-179.1	-41.1	0	0	109.4	R518 I519 L528 D532 I570 H571	R518-Q530 VanDerWaalsContact NE-NE2 3.13Å; R518-Q530 VanDerWaalsContact NH2-CD 3.27Å; I519-Q530 CarbonylContact O-C 3.56Å; I519-Q530 WeakPolarHBondContact O-CA 3.38Å; L528-Q530 HydrophobicContact CD2-CB 4.43Å; Q530-D532 PolarHBondContact NE2-OD1 3.26Å; Q530-D532 PolarHBondContact NE2-OD2 3.21Å; Q530-I570 CarbonylContact O-C 3.56Å; Q530-I570 WeakPolarHBondContact O-CA 3.33Å; Q530-H571 HydrophobicContact CB-CB 4.24Å; Q530-H571 PolarHBondContact N-O 2.86Å; Q530-H571 PolarHBondContact O-N 2.87Å
531	L	78.6	Confident	80.5	Confident	57 Å²	57	38.8 Å²	38.8	30%	0.298	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.3	172.6	175.5	74.9	0	0	0	108.4	R518 I519 I568 K569 I570	R518-L531 WeakPolarHBondContact CA-O 2.97Å; I519-L531 HydrophobicContact CB-CB 4.4Å; I519-L531 HydrophobicContact CD1-CD2 4.38Å; I519-L531 PolarHBondContact N-O 3.01Å; I519-L531 PolarHBondContact O-N 2.76Å; L531-I568 HydrophobicContact CD1-CG2 3.79Å; L531-K569 CarbonylContact C-O 3.56Å; L531-K569 WeakPolarHBondContact CA-O 3.48Å; L531-I570 HydrophobicContact CD1-CD1 4.2Å; L531-I570 HydrophobicContact CD1-CG1 3.53Å
532	D	82.7	Confident	81.4	Confident	22 Å²	22	36.7 Å²	36.7	12%	0.118	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.5	170	-58.3	-37.1	0	0	0	108.5	R518 Q530 I568 K569	R518-D532 WeakPolarHBondContact CD-OD1 3.37Å; R518-D532 WeakPolarHBondContact CG-OD1 3.27Å; R518-D532 IonicContact NE-OD1 2.62Å; R518-D532 PolarHBondContact NE-OD1 3.01Å; Q530-D532 PolarHBondContact NE2-OD1 3.26Å; Q530-D532 PolarHBondContact NE2-OD2 3.21Å; D532-I568 CarbonylContact O-C 3.58Å; D532-I568 WeakPolarHBondContact O-CA 3.49Å; D532-K569 HydrophobicContact CB-CB 4.31Å; D532-K569 PolarHBondContact N-O 2.89Å; D532-K569 PolarHBondContact O-N 3.43Å
533	H	85.9	Confident	82.2	Confident	38 Å²	38	34.4 Å²	34.4	18%	0.176	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	112.2	177.4	177.2	-159.2	0	0	0	108.7	Q517 N566 D567	Q517-H533 HydrophobicContact CB-CB 4.48Å; Q517-H533 PolarHBondContact N-O 3.33Å; Q517-H533 PolarHBondContact O-N 2.82Å; H533-N566 PolarHBondContact CD2-OD1 2.85Å; H533-N566 PolarHBondContact NE2-OD1 2.81Å; H533-D567 WeakPolarHBondContact CA-O 3.25Å
534	I	88.7	Confident	82.9	Confident	10 Å²	10	31.2 Å²	31.2	5%	0.051	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	126.6	-173.7	-61	179.7	0	0	0	108.4	I169 N173 L513 I515 D567	I169-I534 HydrophobicContact CD1-CG2 4.33Å; I169-I534 HydrophobicContact CG1-CG2 4.11Å; I169-I534 HydrophobicContact CG2-CG2 4.12Å; N173-I534 WeakPolarHBondContact OD1-CD1 3.38Å; L513-I534 HydrophobicContact CD2-CG2 3.23Å; I515-I534 WeakPolarHBondContact O-CA 3.22Å; I534-D567 PolarHBondContact N-O 3.45Å; I534-D567 PolarHBondContact O-N 2.75Å
535	V	89.1	Confident	83.5	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.024	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.3	174.2	176.7	0	0	0	0	108.8	L513 P514 I515 F564 V565 N566	L513-V535 CarbonylContact C-O 3.53Å; L513-V535 WeakPolarHBondContact CA-O 3.2Å; L513-V535 VanDerWaalsContact CB-O 3.28Å; L513-V535 WeakPolarHBondContact CB-O 3.24Å; L513-V535 WeakPolarHBondContact CG-O 3.46Å; P514-V535 VanDerWaalsContact CD-O 3.31Å; P514-V535 WeakPolarHBondContact CD-O 3.17Å; P514-V535 HydrophobicContact CG-CB 4.13Å; P514-V535 HydrophobicContact CG-CG1 3.66Å; I515-V535 HydrophobicContact CB-CB 3.86Å; I515-V535 HydrophobicContact CB-CG2 3.75Å; I515-V535 HydrophobicContact CD1-CG2 3.92Å; I515-V535 HydrophobicContact CG1-CB 4.36Å; I515-V535 HydrophobicContact CG1-CG2 4.16Å; I515-V535 PolarHBondContact O-N 2.94Å; V535-F564 HydrophobicContact CG1-CD2 3.94Å; V535-F564 HydrophobicContact CG1-CE2 3.22Å; V535-F564 HydrophobicContact CG1-CZ 3.56Å; V535-F564 HydrophobicContact CG2-CZ 4.48Å; V535-V565 CarbonylContact C-O 3.56Å; V535-V565 VanDerWaalsContact CA-O 3.26Å; V535-V565 WeakPolarHBondContact CA-O 3.36Å; V535-N566 HydrophobicContact CG2-CB 3.91Å; V535-N566 VanDerWaalsContact CG2-OD1 3.3Å; V535-N566 WeakPolarHBondContact CG2-OD1 3.16Å
536	S	91.5	Very high	84	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.7	172.4	178.8	0	0	0	0	110	S165 I169 F564 V565	S165-S536 PolarHBondContact O-OG 3.23Å; I169-S536 VanDerWaalsContact CG1-CB 3.42Å; S536-F564 WeakPolarHBondContact O-CA 3.11Å; S536-V565 PolarHBondContact N-O 2.98Å; S536-V565 PolarHBondContact O-N 2.67Å
537	L	90.5	Very high	84.5	Confident	19 Å²	19	30.5 Å²	30.5	10%	0.099	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	118.7	173.9	-178.9	69.9	0	0	0	108.8	L476 F510 K512 P514 I539 I562 G563 F564	L476-L537 HydrophobicContact CD1-CD2 3.6Å; L476-L537 HydrophobicContact CG-CD2 4.44Å; F510-L537 HydrophobicContact CE2-CD2 4.5Å; K512-L537 PolarHBondContact N-O 3.26Å; K512-L537 PolarHBondContact O-N 2.82Å; P514-L537 HydrophobicContact CG-CB 4.31Å; L537-I539 HydrophobicContact CD1-CD1 4.12Å; L537-I539 HydrophobicContact CD1-CG1 4.13Å; L537-I539 HydrophobicContact CD2-CD1 3.65Å; L537-I539 HydrophobicContact CD2-CG1 4.32Å; L537-I539 HydrophobicContact CG-CD1 3.91Å; L537-I539 HydrophobicContact CG-CG1 4.02Å; L537-I562 HydrophobicContact CD1-CG2 3.71Å; L537-G563 WeakPolarHBondContact CA-O 3.32Å; L537-F564 HydrophobicContact CD1-CB 4.46Å; L537-F564 HydrophobicContact CD1-CD2 4.25Å
538	T	91.8	Very high	84.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.1	171	65.5	0	0	0	0	109.1	G160 S165 I168 F510 I511 G563	G160-T538 WeakPolarHBondContact CA-OG1 3.21Å; G160-T538 PolarHBondContact N-OG1 2.9Å; G160-T538 VanDerWaalsContact N-OG1 3.16Å; S165-T538 WeakPolarHBondContact OG-CG2 3.27Å; S165-T538 PolarHBondContact OG-OG1 3.48Å; I168-T538 HydrophobicContact CD1-CG2 3.56Å; F510-T538 WeakPolarHBondContact O-CA 3.42Å; I511-T538 HydrophobicContact CG1-CG2 4.06Å; I511-T538 HydrophobicContact CG2-CG2 4.4Å; T538-G563 PolarHBondContact N-O 3.32Å; T538-G563 PolarHBondContact O-N 2.9Å; T538-G563 PolarHBondContact OG1-O 3.21Å
539	I	89.7	Confident	84.9	Confident	22 Å²	22	32.3 Å²	32.3	11%	0.113	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.6	179.4	-70.6	172.8	0	0	0	109	Q509 F510 L537 I541 T560 E561 I562	Q509-I539 WeakPolarHBondContact CA-O 3.17Å; F510-I539 HydrophobicContact CD1-CB 4.18Å; F510-I539 HydrophobicContact CD1-CG2 4.41Å; F510-I539 HydrophobicContact CD2-CB 4.38Å; F510-I539 HydrophobicContact CE1-CB 3.65Å; F510-I539 HydrophobicContact CE1-CD1 4.25Å; F510-I539 HydrophobicContact CE1-CG1 4.49Å; F510-I539 HydrophobicContact CE1-CG2 3.68Å; F510-I539 HydrophobicContact CE2-CB 3.88Å; F510-I539 HydrophobicContact CE2-CD1 3.7Å; F510-I539 HydrophobicContact CE2-CG1 4.08Å; F510-I539 HydrophobicContact CZ-CB 3.5Å; F510-I539 HydrophobicContact CZ-CD1 3.33Å; F510-I539 HydrophobicContact CZ-CG1 3.86Å; F510-I539 HydrophobicContact CZ-CG2 3.88Å; F510-I539 PolarHBondContact N-O 2.82Å; F510-I539 PolarHBondContact O-N 3.34Å; L537-I539 HydrophobicContact CD1-CD1 4.12Å; L537-I539 HydrophobicContact CD1-CG1 4.13Å; L537-I539 HydrophobicContact CD2-CD1 3.65Å; L537-I539 HydrophobicContact CD2-CG1 4.32Å; L537-I539 HydrophobicContact CG-CD1 3.91Å; L537-I539 HydrophobicContact CG-CG1 4.02Å; I539-I541 HydrophobicContact CG2-CD1 4.42Å; I539-I541 HydrophobicContact CG2-CG1 3.82Å; I539-T560 HydrophobicContact CG2-CG2 4.05Å; I539-E561 WeakPolarHBondContact CA-O 3.4Å; I539-I562 HydrophobicContact CG1-CG1 4.36Å
540	R	90.6	Very high	84.9	Confident	35 Å²	35	42 Å²	42	13%	0.132	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	115.9	169.9	178.9	174.7	94.9	179.9	3	109.2	N157 I159 P506 Q509 E561	N157-R540 VanDerWaalsContact C-NH1 3.33Å; N157-R540 VanDerWaalsContact CA-NH1 3.31Å; N157-R540 PolarHBondContact O-NH1 2.98Å; I159-R540 HydrophobicContact CG2-CB 4.46Å; P506-R540 HydrophobicContact CB-CG 4.1Å; Q509-R540 HydrophobicContact CG-CB 4.39Å; Q509-R540 HydrophobicContact CG-CG 4Å; R540-E561 HydrophobicContact CB-CB 4.32Å; R540-E561 IonicContact CZ-OE1 3.7Å; R540-E561 IonicContact CZ-OE2 2.84Å; R540-E561 PolarHBondContact N-O 3.49Å; R540-E561 IonicContact NE-OE1 3.87Å; R540-E561 IonicContact NE-OE2 2.67Å; R540-E561 PolarHBondContact NE-OE2 3.45Å; R540-E561 IonicContact NH1-OE2 3.8Å; R540-E561 IonicContact NH2-OE1 2.82Å; R540-E561 PolarHBondContact NH2-OE1 3.44Å; R540-E561 IonicContact NH2-OE2 2.75Å; R540-E561 PolarHBondContact NH2-OE2 2.99Å; R540-E561 PolarHBondContact O-N 2.77Å
541	I	88.6	Confident	84.8	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.7	172.7	-41.2	-178.4	0	0	0	108.3	L473 P506 F507 I508 I539 V558 R559 T560	L473-I541 HydrophobicContact CD1-CD1 4.48Å; L473-I541 HydrophobicContact CD2-CD1 4.2Å; P506-I541 WeakPolarHBondContact CA-O 3.49Å; F507-I541 WeakPolarHBondContact CD1-O 3.42Å; F507-I541 HydrophobicContact CE1-CB 4.08Å; F507-I541 HydrophobicContact CE1-CG2 3.55Å; F507-I541 HydrophobicContact CE2-CB 4.34Å; F507-I541 HydrophobicContact CE2-CG2 4.13Å; F507-I541 HydrophobicContact CZ-CB 3.85Å; F507-I541 HydrophobicContact CZ-CG2 3.26Å; F507-I541 PolarHBondContact N-O 3.01Å; I508-I541 HydrophobicContact CB-CB 4.26Å; I508-I541 HydrophobicContact CB-CD1 4.4Å; I508-I541 HydrophobicContact CB-CG1 4.37Å; I508-I541 HydrophobicContact CG2-CD1 4.29Å; I508-I541 HydrophobicContact CG2-CG1 4.43Å; I508-I541 PolarHBondContact N-O 3.38Å; I508-I541 PolarHBondContact O-N 2.88Å; I539-I541 HydrophobicContact CG2-CD1 4.42Å; I539-I541 HydrophobicContact CG2-CG1 3.82Å; I541-V558 HydrophobicContact CG2-CG1 3.67Å; I541-R559 WeakPolarHBondContact CA-O 3.42Å; I541-T560 HydrophobicContact CG1-CG2 4.4Å
542	S	90.4	Very high	84.6	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.007	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148.4	-177.8	62	0	0	0	0	110.8	F504 K505 V558 R559	F504-S542 WeakPolarHBondContact CD1-OG 3.47Å; K505-S542 VanDerWaalsContact O-CA 3.28Å; K505-S542 WeakPolarHBondContact O-CA 3.2Å; S542-V558 CarbonylContact O-C 3.59Å; S542-V558 WeakPolarHBondContact O-CA 3.48Å; S542-R559 PolarHBondContact N-O 3.5Å; S542-R559 PolarHBondContact O-N 3.07Å; S542-R559 PolarHBondContact OG-O 2.89Å
543	N	87.3	Confident	84.3	Confident	53 Å²	53	50.3 Å²	50.3	28%	0.283	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.9	179.2	-168.7	-8.9	0	0	0	110.5	F504 K505 F507 N556 N557	F504-N543 WeakPolarHBondContact CA-O 3.46Å; K505-N543 PolarHBondContact N-O 2.88Å; K505-N543 PolarHBondContact O-N 3.23Å; F507-N543 HydrophobicContact CD1-CB 4.01Å; F507-N543 HydrophobicContact CE1-CB 3.89Å; N543-N556 PolarHBondContact ND2-OD1 2.84Å; N543-N556 VanDerWaalsContact ND2-OD1 3.11Å; N543-N556 PolarHBondContact OD1-OD1 3.4Å; N543-N557 WeakPolarHBondContact CA-O 3.22Å; N543-N557 PolarHBondContact OD1-O 2.83Å
544	A	88.2	Confident	83.9	Confident	7 Å²	7	49.3 Å²	49.3	6%	0.058	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.6	165.1	0	0	0	0	0	109.5	S502 F504 N557	S502-A544 WeakPolarHBondContact O-CB 3.37Å; F504-A544 HydrophobicContact CD1-CB 3.74Å; F504-A544 HydrophobicContact CD2-CB 4.46Å; F504-A544 HydrophobicContact CE1-CB 3.92Å; F504-A544 HydrophobicContact CG-CB 4.04Å; F504-A544 HydrophobicContact CZ-CB 4.39Å; A544-N557 PolarHBondContact N-O 2.77Å; A544-N557 PolarHBondContact O-N 3.39Å
545	L	85	Confident	83.7	Confident	54 Å²	54	52 Å²	52	28%	0.283	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121.2	-179.9	-178.1	69.3	0	0	0	109.8	T501 T547 N556	T501-L545 CarbonylContact C-O 3.58Å; T501-L545 VanDerWaalsContact C-O 3.26Å; T501-L545 PolarHBondContact O-N 3.24Å; L545-T547 HydrophobicContact CD1-CG2 4.04Å; L545-T547 HydrophobicContact CD2-CG2 4.1Å; L545-T547 HydrophobicContact CG-CG2 3.88Å; L545-N556 HydrophobicContact CD1-CB 3.92Å
546	E	83.7	Confident	83.5	Confident	102 Å²	102	53.7 Å²	53.7	48%	0.477	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	116.7	173.5	-63.5	-175.4	170.1	0	0	108.6	S502 G554 R555	S502-E546 WeakPolarHBondContact CB-OE1 3.27Å; E546-G554 CarbonylContact O-C 3.53Å; E546-G554 WeakPolarHBondContact O-CA 3.34Å; E546-R555 HydrophobicContact CB-CB 4.32Å; E546-R555 PolarHBondContact N-O 3.05Å; E546-R555 PolarHBondContact O-N 2.85Å
547	T	78.2	Confident	83.3	Confident	58 Å²	58	54.5 Å²	54.5	36%	0.356	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.7	175	63.4	0	0	0	0	110.7	L497 L545	L497-T547 HydrophobicContact CD2-CG2 3.65Å; L545-T547 HydrophobicContact CD1-CG2 4.04Å; L545-T547 HydrophobicContact CD2-CG2 4.1Å; L545-T547 HydrophobicContact CG-CG2 3.88Å
548	S	77.4	Confident	83.2	Confident	37 Å²	37	54.6 Å²	54.6	26%	0.259	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	101.7	173.6	-175.2	0	0	0	0	108.9	W550 R551 L552 T553	S548-W550 VanDerWaalsContact C-N 3.27Å; S548-W550 PolarHBondContact O-N 3.34Å; S548-R551 PolarHBondContact O-N 2.78Å; S548-R551 PolarHBondContact OG-N 3.42Å; S548-L552 WeakPolarHBondContact O-CA 3.42Å; S548-L552 PolarHBondContact O-N 3.23Å; S548-T553 PolarHBondContact N-O 2.9Å; S548-T553 PolarHBondContact O-N 2.9Å; S548-T553 VanDerWaalsContact O-N 3.16Å
549	I	72.9	Confident	83.1	Confident	95 Å²	95	57 Å²	57	49%	0.487	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-43.3	176.7	-60.8	173	0	0	0	110.1	M494 R551 L552	M494-I549 HydrophobicContact CE-CD1 4.34Å; I549-R551 PolarHBondContact O-N 3.43Å; I549-L552 WeakPolarHBondContact O-CD2 3.45Å; I549-L552 PolarHBondContact O-N 3.06Å
550	W	74.5	Confident	83	Confident	245 Å²	245	56.8 Å²	56.8	93%	0.928	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-40.3	-179.5	-64.2	108.9	0	0	0	114.1	S548 L552	S548-W550 VanDerWaalsContact C-N 3.27Å; S548-W550 PolarHBondContact O-N 3.34Å; W550-L552 VanDerWaalsContact C-N 3.28Å
551	R	75.9	Confident	83.1	Confident	181 Å²	181	56.5 Å²	56.5	68%	0.683	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-13	178	-66.5	-178.7	178	175.1	0.6	112.1	S548 I549 T553 K609	S548-R551 PolarHBondContact O-N 2.78Å; S548-R551 PolarHBondContact OG-N 3.42Å; I549-R551 PolarHBondContact O-N 3.43Å; R551-T553 HydrophobicContact CB-CG2 4.1Å; R551-T553 WeakPolarHBondContact CB-OG1 3.17Å; R551-K609 WeakPolarHBondContact O-CE 3.26Å
552	L	74.2	Confident	83.2	Confident	43 Å²	43	58.8 Å²	58.8	23%	0.225	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	57	40.9	-171.1	-65	174.6	0	0	0	111.1	L444 S548 I549 W550 I608 K609	L444-L552 HydrophobicContact CD1-CD1 4.44Å; L444-L552 HydrophobicContact CD1-CD2 3.95Å; S548-L552 WeakPolarHBondContact O-CA 3.42Å; S548-L552 PolarHBondContact O-N 3.23Å; I549-L552 WeakPolarHBondContact O-CD2 3.45Å; I549-L552 PolarHBondContact O-N 3.06Å; W550-L552 VanDerWaalsContact C-N 3.28Å; L552-I608 HydrophobicContact CB-CB 4.16Å; L552-I608 WeakPolarHBondContact O-CB 3.25Å; L552-I608 PolarHBondContact O-N 3.01Å; L552-K609 HydrophobicContact CB-CG 4.13Å; L552-K609 HydrophobicContact CD1-CG 3.97Å
553	T	76.7	Confident	83.2	Confident	51 Å²	51	58.7 Å²	58.7	31%	0.313	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.4	-178.6	58.5	0	0	0	0	111	S548 R551 I606 N607	S548-T553 PolarHBondContact N-O 2.9Å; S548-T553 PolarHBondContact O-N 2.9Å; S548-T553 VanDerWaalsContact O-N 3.16Å; R551-T553 HydrophobicContact CB-CG2 4.1Å; R551-T553 WeakPolarHBondContact CB-OG1 3.17Å; T553-I606 CarbonylContact C-O 3.56Å; T553-I606 WeakPolarHBondContact CA-O 3.29Å; T553-N607 HydrophobicContact CG2-CB 4.19Å
554	G	78	Confident	83.4	Confident	18 Å²	18	58.8 Å²	58.8	19%	0.186	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.8	170.9	0	0	0	0	0	110.4	E546 I606	E546-G554 CarbonylContact O-C 3.53Å; E546-G554 WeakPolarHBondContact O-CA 3.34Å; G554-I606 PolarHBondContact N-O 2.83Å; G554-I606 PolarHBondContact O-N 2.83Å
555	R	83.9	Confident	83.6	Confident	65 Å²	65	58.5 Å²	58.5	25%	0.245	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	119.9	171.5	173.4	175.4	-177.1	111.8	-7.5	108.2	E546 I603 T604 D605	E546-R555 HydrophobicContact CB-CB 4.32Å; E546-R555 PolarHBondContact N-O 3.05Å; E546-R555 PolarHBondContact O-N 2.85Å; R555-I603 HydrophobicContact CG-CG2 4.38Å; R555-T604 CarbonylContact C-O 3.52Å; R555-T604 WeakPolarHBondContact CA-O 3.32Å; R555-D605 WeakPolarHBondContact CB-OD1 3.2Å; R555-D605 WeakPolarHBondContact CD-OD1 3.41Å; R555-D605 WeakPolarHBondContact CG-OD1 3.44Å; R555-D605 IonicContact CZ-OD1 3.85Å; R555-D605 IonicContact NE-OD1 3.91Å; R555-D605 IonicContact NH1-OD1 3.1Å; R555-D605 PolarHBondContact NH1-OD1 3.46Å; R555-D605 VanDerWaalsContact NH1-OD1 3.1Å; R555-D605 IonicContact NH1-OD2 3.2Å; R555-D605 PolarHBondContact NH1-OD2 3.22Å
556	N	84.8	Confident	83.9	Confident	40 Å²	40	57 Å²	57	21%	0.214	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.7	173.6	-177.7	53.4	0	0	0	108	N543 L545 I603 T604	N543-N556 PolarHBondContact ND2-OD1 2.84Å; N543-N556 VanDerWaalsContact ND2-OD1 3.11Å; N543-N556 PolarHBondContact OD1-OD1 3.4Å; L545-N556 HydrophobicContact CD1-CB 3.92Å; N556-I603 CarbonylContact O-C 3.6Å; N556-I603 WeakPolarHBondContact O-CA 3.22Å; N556-T604 PolarHBondContact N-O 3.08Å; N556-T604 PolarHBondContact O-N 2.99Å
557	N	87	Confident	84.1	Confident	17 Å²	17	52.5 Å²	52.5	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	108.9	174.9	-170.6	-4.2	0	0	0	109.5	F504 N543 A544 D601	F504-N557 HydrophobicContact CE1-CB 4.13Å; F504-N557 WeakPolarHBondContact CE1-O 3.45Å; F504-N557 HydrophobicContact CZ-CB 4.28Å; F504-N557 WeakPolarHBondContact CZ-ND2 3.38Å; N543-N557 WeakPolarHBondContact CA-O 3.22Å; N543-N557 PolarHBondContact OD1-O 2.83Å; A544-N557 PolarHBondContact N-O 2.77Å; A544-N557 PolarHBondContact O-N 3.39Å; N557-D601 PolarHBondContact ND2-OD2 3.04Å
558	V	87.7	Confident	84.5	Confident	22 Å²	22	52 Å²	52	13%	0.133	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	110.8	173	-178.8	0	0	0	0	108	F507 I541 S542 F602	F507-V558 HydrophobicContact CE1-CG1 4.46Å; F507-V558 HydrophobicContact CZ-CG1 4.41Å; I541-V558 HydrophobicContact CG2-CG1 3.67Å; S542-V558 CarbonylContact O-C 3.59Å; S542-V558 WeakPolarHBondContact O-CA 3.48Å; V558-F602 HydrophobicContact CB-CB 4.44Å; V558-F602 PolarHBondContact N-O 3.07Å; V558-F602 PolarHBondContact O-N 3.35Å
559	R	89.6	Confident	84.9	Confident	49 Å²	49	51.3 Å²	51.3	19%	0.185	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.8	178.1	171.4	169.9	-65.3	177.4	1.3	110.2	F504 I541 S542 E561 Y599 D601	F504-R559 HydrophobicContact CD1-CB 4Å; F504-R559 HydrophobicContact CE1-CB 3.46Å; F504-R559 VanDerWaalsContact CE1-CB 3.46Å; F504-R559 HydrophobicContact CZ-CB 3.95Å; I541-R559 WeakPolarHBondContact CA-O 3.42Å; S542-R559 PolarHBondContact N-O 3.5Å; S542-R559 PolarHBondContact O-N 3.07Å; S542-R559 PolarHBondContact OG-O 2.89Å; R559-E561 WeakPolarHBondContact CD-OE1 3.37Å; R559-E561 HydrophobicContact CG-CG 3.96Å; R559-Y599 HydrophobicContact CG-CD2 4.36Å; R559-D601 VanDerWaalsContact CB-OD1 3.25Å; R559-D601 WeakPolarHBondContact CB-OD1 3.28Å; R559-D601 VanDerWaalsContact CG-OD1 3.27Å; R559-D601 WeakPolarHBondContact CG-OD1 3.35Å; R559-D601 IonicContact CZ-OD1 3.53Å; R559-D601 IonicContact CZ-OD2 3.61Å; R559-D601 IonicContact NE-OD1 2.73Å; R559-D601 PolarHBondContact NE-OD1 3.22Å; R559-D601 IonicContact NE-OD2 3.57Å; R559-D601 IonicContact NH2-OD1 3.48Å; R559-D601 PolarHBondContact NH2-OD1 3.46Å; R559-D601 IonicContact NH2-OD2 2.78Å; R559-D601 PolarHBondContact NH2-OD2 3.25Å
560	T	88.9	Confident	85.2	Confident	18 Å²	18	49.2 Å²	49.2	11%	0.11	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	107.2	171.1	-57.3	0	0	0	0	108.8	I539 I541 I562 Y599 I600	I539-T560 HydrophobicContact CG2-CG2 4.05Å; I541-T560 HydrophobicContact CG1-CG2 4.4Å; T560-I562 HydrophobicContact CG2-CD1 4.37Å; T560-I562 HydrophobicContact CG2-CG1 4.06Å; T560-Y599 CarbonylContact O-C 3.58Å; T560-Y599 WeakPolarHBondContact O-CA 3.41Å; T560-I600 PolarHBondContact N-O 3.06Å; T560-I600 PolarHBondContact O-N 3.38Å
561	E	91.5	Very high	85.5	Confident	29 Å²	29	38.9 Å²	38.9	14%	0.136	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.2	172.7	-72.6	164.5	-173.5	0	0	109.9	I539 R540 R559 G598	I539-E561 WeakPolarHBondContact CA-O 3.4Å; R540-E561 HydrophobicContact CB-CB 4.32Å; R540-E561 IonicContact CZ-OE1 3.7Å; R540-E561 IonicContact CZ-OE2 2.84Å; R540-E561 PolarHBondContact N-O 3.49Å; R540-E561 IonicContact NE-OE1 3.87Å; R540-E561 IonicContact NE-OE2 2.67Å; R540-E561 PolarHBondContact NE-OE2 3.45Å; R540-E561 IonicContact NH1-OE2 3.8Å; R540-E561 IonicContact NH2-OE1 2.82Å; R540-E561 PolarHBondContact NH2-OE1 3.44Å; R540-E561 IonicContact NH2-OE2 2.75Å; R540-E561 PolarHBondContact NH2-OE2 2.99Å; R540-E561 PolarHBondContact O-N 2.77Å; R559-E561 WeakPolarHBondContact CD-OE1 3.37Å; R559-E561 HydrophobicContact CG-CG 3.96Å; E561-G598 WeakPolarHBondContact CA-O 3.42Å
562	I	90.6	Very high	85.5	Confident	49 Å²	49	31.9 Å²	31.9	25%	0.251	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.7	-174.2	-54.5	176.3	0	0	0	108.3	G160 L537 I539 T560 Q597 G598	G160-I562 CarbonylContact O-C 3.59Å; G160-I562 VanDerWaalsContact O-C 3.28Å; L537-I562 HydrophobicContact CD1-CG2 3.71Å; I539-I562 HydrophobicContact CG1-CG1 4.36Å; T560-I562 HydrophobicContact CG2-CD1 4.37Å; T560-I562 HydrophobicContact CG2-CG1 4.06Å; I562-Q597 WeakPolarHBondContact O-CA 3.45Å; I562-G598 PolarHBondContact N-O 2.89Å; I562-G598 PolarHBondContact O-N 3.13Å
563	G	90.9	Very high	85.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.9	163.5	0	0	0	0	0	108.5	G160 S165 L537 T538	G160-G563 PolarHBondContact O-N 3.27Å; S165-G563 PolarHBondContact OG-O 3.33Å; L537-G563 WeakPolarHBondContact CA-O 3.32Å; T538-G563 PolarHBondContact N-O 3.32Å; T538-G563 PolarHBondContact O-N 2.9Å; T538-G563 PolarHBondContact OG1-O 3.21Å
564	F	91.9	Very high	85.2	Confident	55 Å²	55	31.4 Å²	31.4	24%	0.241	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.7	178.1	175.8	-87.8	0	0	0	108.5	V535 S536 L537 N566 A595 I596	V535-F564 HydrophobicContact CG1-CD2 3.94Å; V535-F564 HydrophobicContact CG1-CE2 3.22Å; V535-F564 HydrophobicContact CG1-CZ 3.56Å; V535-F564 HydrophobicContact CG2-CZ 4.48Å; S536-F564 WeakPolarHBondContact O-CA 3.11Å; L537-F564 HydrophobicContact CD1-CB 4.46Å; L537-F564 HydrophobicContact CD1-CD2 4.25Å; F564-N566 HydrophobicContact CE1-CB 3.64Å; F564-N566 HydrophobicContact CZ-CB 3.94Å; F564-A595 CarbonylContact O-C 3.58Å; F564-A595 WeakPolarHBondContact O-CA 3.37Å; F564-I596 HydrophobicContact CB-CB 4.25Å; F564-I596 HydrophobicContact CD1-CD1 4.4Å; F564-I596 HydrophobicContact CD1-CG1 4.33Å; F564-I596 PolarHBondContact N-O 3.02Å; F564-I596 PolarHBondContact O-N 3.07Å
565	V	92	Very high	84.6	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	123.6	172	173.3	0	0	0	0	107.8	I162 E166 I169 V535 S536 A595 W630	I162-V565 HydrophobicContact CG2-CG2 4.07Å; E166-V565 HydrophobicContact CB-CG2 4.23Å; I169-V565 HydrophobicContact CD1-CB 3.87Å; I169-V565 HydrophobicContact CD1-CG1 3.49Å; I169-V565 VanDerWaalsContact CD1-CG1 3.49Å; V535-V565 CarbonylContact C-O 3.56Å; V535-V565 VanDerWaalsContact CA-O 3.26Å; V535-V565 WeakPolarHBondContact CA-O 3.36Å; S536-V565 PolarHBondContact N-O 2.98Å; S536-V565 PolarHBondContact O-N 2.67Å; V565-A595 HydrophobicContact CG2-CB 3.79Å; V565-W630 HydrophobicContact CG1-CH2 3.94Å; V565-W630 HydrophobicContact CG1-CZ2 4.31Å
566	N	91.6	Very high	83.4	Confident	21 Å²	21	30.7 Å²	30.7	11%	0.112	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.7	169.1	173.4	32.6	0	0	0	108.8	H533 V535 F564 G593 N594	H533-N566 PolarHBondContact CD2-OD1 2.85Å; H533-N566 PolarHBondContact NE2-OD1 2.81Å; V535-N566 HydrophobicContact CG2-CB 3.91Å; V535-N566 VanDerWaalsContact CG2-OD1 3.3Å; V535-N566 WeakPolarHBondContact CG2-OD1 3.16Å; F564-N566 HydrophobicContact CE1-CB 3.64Å; F564-N566 HydrophobicContact CZ-CB 3.94Å; N566-G593 CarbonylContact O-C 3.49Å; N566-G593 WeakPolarHBondContact O-CA 3.41Å; N566-N594 WeakPolarHBondContact CB-OD1 3.37Å; N566-N594 PolarHBondContact N-O 3.15Å; N566-N594 PolarHBondContact ND2-OD1 3.28Å; N566-N594 PolarHBondContact O-N 2.91Å
567	D	87.8	Confident	82	Confident	8 Å²	8	36.5 Å²	36.5	4%	0.043	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118.1	-176.1	-170.5	7.4	0	0	0	109.4	I169 H533 I534 K569 H591	I169-D567 HydrophobicContact CD1-CB 4.28Å; H533-D567 WeakPolarHBondContact CA-O 3.25Å; I534-D567 PolarHBondContact N-O 3.45Å; I534-D567 PolarHBondContact O-N 2.75Å; D567-K569 WeakPolarHBondContact OD1-CE 3.46Å; D567-K569 IonicContact OD1-NZ 3.32Å; D567-K569 WeakPolarHBondContact OD2-CE 3.45Å; D567-K569 IonicContact OD2-NZ 3.47Å; D567-K569 PolarHBondContact OD2-NZ 3.19Å; D567-H591 IonicContact OD1-CD2 2.69Å; D567-H591 PolarHBondContact OD1-CD2 3.28Å; D567-H591 IonicContact OD1-CE1 2.81Å; D567-H591 IonicContact OD1-NE2 3.21Å; D567-H591 PolarHBondContact OD1-NE2 3.32Å; D567-H591 IonicContact OD2-NE2 3.15Å
568	I	87	Confident	80.3	Confident	47 Å²	47	42.8 Å²	42.8	24%	0.241	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.3	177.5	-58.9	173	0	0	0	108.4	L531 D532 I570 H591 K592	L531-I568 HydrophobicContact CD1-CG2 3.79Å; D532-I568 CarbonylContact O-C 3.58Å; D532-I568 WeakPolarHBondContact O-CA 3.49Å; I568-I570 HydrophobicContact CG2-CG1 4.48Å; I568-H591 WeakPolarHBondContact O-CA 3.49Å; I568-K592 WeakPolarHBondContact CA-O 3.44Å; I568-K592 PolarHBondContact N-O 3.03Å; I568-K592 PolarHBondContact O-N 2.79Å; I568-K592 VanDerWaalsContact O-O 3.05Å
569	K	84.8	Confident	78.1	Confident	24 Å²	24	46.8 Å²	46.8	10%	0.104	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129	176.6	-66.3	171.3	-177.7	145.7	0	109.6	L531 D532 D567 Y589 I590 H591	L531-K569 CarbonylContact C-O 3.56Å; L531-K569 WeakPolarHBondContact CA-O 3.48Å; D532-K569 HydrophobicContact CB-CB 4.31Å; D532-K569 PolarHBondContact N-O 2.89Å; D532-K569 PolarHBondContact O-N 3.43Å; D567-K569 WeakPolarHBondContact OD1-CE 3.46Å; D567-K569 IonicContact OD1-NZ 3.32Å; D567-K569 WeakPolarHBondContact OD2-CE 3.45Å; D567-K569 IonicContact OD2-NZ 3.47Å; D567-K569 PolarHBondContact OD2-NZ 3.19Å; K569-Y589 HydrophobicContact CB-CE2 4.14Å; K569-Y589 HydrophobicContact CD-CE2 4.38Å; K569-Y589 WeakPolarHBondContact CD-OH 3.4Å; K569-Y589 WeakPolarHBondContact CE-OH 3.47Å; K569-Y589 HydrophobicContact CG-CE2 4.16Å; K569-I590 CarbonylContact C-O 3.53Å; K569-I590 WeakPolarHBondContact CA-O 3.37Å; K569-H591 HydrophobicContact CG-CB 4.47Å
570	I	79.9	Confident	76	Confident	51 Å²	51	54.2 Å²	54.2	26%	0.262	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.2	174.4	-57	171.3	0	0	0	106.8	I529 Q530 L531 I568 L572 Y589 I590	I529-I570 HydrophobicContact CG2-CG2 4.35Å; Q530-I570 CarbonylContact O-C 3.56Å; Q530-I570 WeakPolarHBondContact O-CA 3.33Å; L531-I570 HydrophobicContact CD1-CD1 4.2Å; L531-I570 HydrophobicContact CD1-CG1 3.53Å; I568-I570 HydrophobicContact CG2-CG1 4.48Å; I570-L572 HydrophobicContact CG2-CD1 4.46Å; I570-L572 HydrophobicContact CG2-CG 4.08Å; I570-Y589 WeakPolarHBondContact O-CA 3.49Å; I570-I590 HydrophobicContact CB-CB 4.23Å; I570-I590 PolarHBondContact N-O 3.35Å; I570-I590 PolarHBondContact O-N 2.91Å
571	H	80.1	Confident	73.9	Confident	27 Å²	27	58.6 Å²	58.6	13%	0.125	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.5	169.4	-60.8	-102.3	0	0	0	107.8	I529 Q530 H587 Y589	I529-H571 CarbonylContact C-O 3.5Å; I529-H571 WeakPolarHBondContact CA-O 3.3Å; Q530-H571 HydrophobicContact CB-CB 4.24Å; Q530-H571 PolarHBondContact N-O 2.86Å; Q530-H571 PolarHBondContact O-N 2.87Å; H571-H587 AromaticContact CG-NE2 3.86Å; H571-H587 AromaticContact ND1-CE1 3.61Å; H571-H587 AromaticContact ND1-NE2 3.26Å; H571-H587 PolarHBondContact ND1-NE2 2.69Å; H571-Y589 AromaticContact CE1-CD2 3.29Å; H571-Y589 WeakPolarHBondContact CE1-CD2 3.18Å; H571-Y589 AromaticContact CE1-CE2 3.32Å; H571-Y589 WeakPolarHBondContact CE1-CE2 3.5Å; H571-Y589 AromaticContact ND1-CD2 3.56Å; H571-Y589 AromaticContact NE2-CD2 3.72Å; H571-Y589 AromaticContact NE2-CE2 3.43Å; H571-Y589 WeakPolarHBondContact NE2-CE2 3.38Å
572	L	77.2	Confident	71.8	Confident	35 Å²	35	63.1 Å²	63.1	18%	0.183	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	110.3	171.2	-70.6	166.7	0	0	0	106.9	W527 I529 I570 H587 L588	W527-L572 HydrophobicContact CE3-CB 4.11Å; W527-L572 HydrophobicContact CZ3-CB 4.1Å; I529-L572 HydrophobicContact CB-CD2 4.02Å; I529-L572 HydrophobicContact CD1-CD2 3.69Å; I529-L572 HydrophobicContact CG1-CD2 3.47Å; I529-L572 VanDerWaalsContact CG1-CD2 3.47Å; I529-L572 HydrophobicContact CG2-CD2 3.84Å; I570-L572 HydrophobicContact CG2-CD1 4.46Å; I570-L572 HydrophobicContact CG2-CG 4.08Å; L572-H587 WeakPolarHBondContact O-CA 3.38Å; L572-H587 PolarHBondContact O-CD2 2.89Å; L572-L588 HydrophobicContact CB-CB 4.06Å; L572-L588 HydrophobicContact CD1-CB 4.43Å; L572-L588 HydrophobicContact CD1-CD2 3.69Å; L572-L588 HydrophobicContact CD1-CG 4.19Å; L572-L588 PolarHBondContact N-O 2.82Å; L572-L588 PolarHBondContact O-N 3.03Å
573	V	74.6	Confident	69.9	Low	29 Å²	29	64.3 Å²	64.3	18%	0.176	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.7	-177	179	0	0	0	0	108.5	W527 L528 L575 P584	W527-V573 CarbonylContact C-O 3.59Å; W527-V573 WeakPolarHBondContact CA-O 3.19Å; L528-V573 HydrophobicContact CB-CB 4.43Å; L528-V573 PolarHBondContact N-O 2.76Å; L528-V573 PolarHBondContact O-N 2.91Å; V573-L575 HydrophobicContact CG1-CD2 4.06Å; V573-L575 HydrophobicContact CG1-CG 4.43Å; V573-P584 HydrophobicContact CG1-CB 3.58Å
574	E	69.7	Low	68.2	Low	55 Å²	55	67 Å²	67	26%	0.257	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	114.8	169.7	-171.6	169.2	-148.6	0	0	109.3	W527 P584 I585 S586	W527-E574 HydrophobicContact CD2-CB 3.88Å; W527-E574 HydrophobicContact CD2-CG 4.26Å; W527-E574 HydrophobicContact CE3-CB 3.95Å; W527-E574 HydrophobicContact CH2-CB 3.88Å; W527-E574 HydrophobicContact CZ2-CB 3.73Å; W527-E574 VanDerWaalsContact CZ2-CD 3.49Å; W527-E574 HydrophobicContact CZ2-CG 3.97Å; W527-E574 WeakPolarHBondContact CZ2-OE2 3.46Å; W527-E574 HydrophobicContact CZ3-CB 3.95Å; W527-E574 PolarHBondContact NE1-OE1 3.04Å; E574-P584 CarbonylContact O-C 3.55Å; E574-P584 VanDerWaalsContact O-CA 3.3Å; E574-P584 WeakPolarHBondContact O-CA 3.25Å; E574-I585 HydrophobicContact CB-CB 4.33Å; E574-I585 HydrophobicContact CG-CB 4.26Å; E574-I585 HydrophobicContact CG-CD1 4.27Å; E574-I585 PolarHBondContact O-N 2.81Å; E574-S586 WeakPolarHBondContact CB-OG 3.42Å; E574-S586 PolarHBondContact N-O 3.42Å; E574-S586 PolarHBondContact OE2-OG 2.91Å
575	L	64.7	Low	66.6	Low	42 Å²	42	67 Å²	67	22%	0.22	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	124.2	177.1	-65.3	170.4	0	0	0	109	L528 V573 Q577 D582	L528-L575 HydrophobicContact CB-CD1 4.1Å; L528-L575 HydrophobicContact CD1-CD1 4.15Å; V573-L575 HydrophobicContact CG1-CD2 4.06Å; V573-L575 HydrophobicContact CG1-CG 4.43Å; L575-Q577 PolarHBondContact O-N 2.84Å; L575-D582 HydrophobicContact CD2-CB 3.87Å
576	D	59	Low	65.2	Low	26 Å²	26	67.2 Å²	67.2	14%	0.139	34%	0.343	C	S	.	.			trans	-69.3	117	169.1	-154.1	-22	0	0	0	109.3	D578 I585 K641	D576-D578 PolarHBondContact O-N 2.89Å; D576-D578 PolarHBondContact OD1-N 2.78Å; D576-I585 HydrophobicContact CB-CD1 3.61Å; D576-I585 HydrophobicContact CB-CG1 3.68Å; D576-K641 IonicContact OD2-NZ 2.72Å; D576-K641 PolarHBondContact OD2-NZ 2.88Å
577	Q	55.8	Low	64.2	Low	161 Å²	161	68.5 Å²	68.5	75%	0.752	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-8.9	-178.9	-68.6	-174.3	-7.5	0	0	112.7	L575	L575-Q577 PolarHBondContact O-N 2.84Å
578	D	51.9	Low	63.7	Low	150 Å²	150	70.2 Å²	70.2	80%	0.802	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-5.3	-168.6	-78.4	-22.5	0	0	0	115.2	D576	D576-D578 PolarHBondContact O-N 2.89Å; D576-D578 PolarHBondContact OD1-N 2.78Å
579	E	41.4	Very low	63.4	Low	105 Å²	105	70.2 Å²	70.2	49%	0.491	36%	0.355	S	S	.	.	S	Bend	trans	-124.7	141.4	176	-68.5	-175.4	-172.3	0	0	111.3	I581	E579-I581 PolarHBondContact O-N 3.47Å
580	M	44	Very low	63.1	Low	206 Å²	206	70.8 Å²	70.8	100%	1.015	36%	0.359	S	S	*	.	S	Bend	trans	-62.9	15.1	175.8	-77.9	-159.2	176.1	0	0	114.1
581	I	46.2	Very low	63.3	Low	109 Å²	109	69 Å²	69	56%	0.559	35%	0.349	S	S	*	.	S	Bend	trans	-133.2	113	-178.3	-51.3	177.5	0	0	0	105.1	E579 I583	E579-I581 PolarHBondContact O-N 3.47Å; I581-I583 HydrophobicContact CB-CD1 4.38Å; I581-I583 HydrophobicContact CB-CG1 4.09Å; I581-I583 HydrophobicContact CG2-CD1 4.04Å; I581-I583 HydrophobicContact CG2-CG1 3.57Å; I581-I583 PolarHBondContact O-N 3.48Å
582	D	47.7	Very low	63.6	Low	125 Å²	125	73.3 Å²	73.3	67%	0.668	37%	0.368	S	S	*	.			trans	-65	74.4	174	-74.4	-38.4	0	0	0	109.6	L575	L575-D582 HydrophobicContact CD2-CB 3.87Å
583	I	50.9	Low	63.9	Low	73 Å²	73	71.8 Å²	71.8	37%	0.374	36%	0.36	S	S	.	.			trans	-88.2	121.4	174	-53.5	178.2	0	0	0	107.1	I581 I585	I581-I583 HydrophobicContact CB-CD1 4.38Å; I581-I583 HydrophobicContact CB-CG1 4.09Å; I581-I583 HydrophobicContact CG2-CD1 4.04Å; I581-I583 HydrophobicContact CG2-CG1 3.57Å; I581-I583 PolarHBondContact O-N 3.48Å; I583-I585 PolarHBondContact O-N 2.73Å; I583-I585 VanDerWaalsContact O-N 3.15Å
584	P	55	Low	64.6	Low	57 Å²	57	72.5 Å²	72.5	37%	0.37	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	112.7	178.8	29.2	-35.2	0	0	0	109.8	V573 E574 S586	V573-P584 HydrophobicContact CG1-CB 3.58Å; E574-P584 CarbonylContact O-C 3.55Å; E574-P584 VanDerWaalsContact O-CA 3.3Å; E574-P584 WeakPolarHBondContact O-CA 3.25Å; P584-S586 VanDerWaalsContact C-N 3.28Å; P584-S586 PolarHBondContact O-N 2.84Å
585	I	58.3	Low	65.5	Low	55 Å²	55	69.9 Å²	69.9	28%	0.282	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	-41.1	177.7	-56.3	178.4	0	0	0	109.8	E574 D576 I583 D638	E574-I585 HydrophobicContact CB-CB 4.33Å; E574-I585 HydrophobicContact CG-CB 4.26Å; E574-I585 HydrophobicContact CG-CD1 4.27Å; E574-I585 PolarHBondContact O-N 2.81Å; D576-I585 HydrophobicContact CB-CD1 3.61Å; D576-I585 HydrophobicContact CB-CG1 3.68Å; I583-I585 PolarHBondContact O-N 2.73Å; I583-I585 VanDerWaalsContact O-N 3.15Å; I585-D638 PolarHBondContact O-N 2.96Å
586	S	60.8	Low	66.7	Low	5 Å²	5	70.8 Å²	70.8	4%	0.035	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	138.2	177.7	62.8	0	0	0	0	109	W527 E574 P584	W527-S586 WeakPolarHBondContact CH2-OG 3.39Å; W527-S586 WeakPolarHBondContact CZ2-OG 3.3Å; E574-S586 WeakPolarHBondContact CB-OG 3.42Å; E574-S586 PolarHBondContact N-O 3.42Å; E574-S586 PolarHBondContact OE2-OG 2.91Å; P584-S586 VanDerWaalsContact C-N 3.28Å; P584-S586 PolarHBondContact O-N 2.84Å
587	H	72.6	Confident	68.2	Low	49 Å²	49	72.2 Å²	72.2	23%	0.227	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	116.5	174.3	-180	-127.2	0	0	0	109	H571 L572 T636	H571-H587 AromaticContact CG-NE2 3.86Å; H571-H587 AromaticContact ND1-CE1 3.61Å; H571-H587 AromaticContact ND1-NE2 3.26Å; H571-H587 PolarHBondContact ND1-NE2 2.69Å; L572-H587 WeakPolarHBondContact O-CA 3.38Å; L572-H587 PolarHBondContact O-CD2 2.89Å; H587-T636 PolarHBondContact N-O 3.06Å; H587-T636 PolarHBondContact O-N 2.77Å; H587-T636 PolarHBondContact O-OG1 3.11Å
588	L	77.3	Confident	69.8	Low	43 Å²	43	65.1 Å²	65.1	23%	0.225	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	118.9	169.9	171.8	63.9	0	0	0	108	L572 I590 M635	L572-L588 HydrophobicContact CB-CB 4.06Å; L572-L588 HydrophobicContact CD1-CB 4.43Å; L572-L588 HydrophobicContact CD1-CD2 3.69Å; L572-L588 HydrophobicContact CD1-CG 4.19Å; L572-L588 PolarHBondContact N-O 2.82Å; L572-L588 PolarHBondContact O-N 3.03Å; L588-I590 HydrophobicContact CD1-CG1 4.2Å; L588-I590 HydrophobicContact CD2-CD1 4.32Å; L588-I590 HydrophobicContact CG-CD1 4.41Å; L588-I590 HydrophobicContact CG-CG1 4.2Å; L588-M635 HydrophobicContact CD1-CB 4.15Å
589	Y	79.8	Confident	71.7	Confident	48 Å²	48	60.9 Å²	60.9	19%	0.188	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.6	176.7	176.9	-113.2	0	0	0	109.4	K569 I570 H571 H591 T633 N634	K569-Y589 HydrophobicContact CB-CE2 4.14Å; K569-Y589 HydrophobicContact CD-CE2 4.38Å; K569-Y589 WeakPolarHBondContact CD-OH 3.4Å; K569-Y589 WeakPolarHBondContact CE-OH 3.47Å; K569-Y589 HydrophobicContact CG-CE2 4.16Å; I570-Y589 WeakPolarHBondContact O-CA 3.49Å; H571-Y589 AromaticContact CE1-CD2 3.29Å; H571-Y589 WeakPolarHBondContact CE1-CD2 3.18Å; H571-Y589 AromaticContact CE1-CE2 3.32Å; H571-Y589 WeakPolarHBondContact CE1-CE2 3.5Å; H571-Y589 AromaticContact ND1-CD2 3.56Å; H571-Y589 AromaticContact NE2-CD2 3.72Å; H571-Y589 AromaticContact NE2-CE2 3.43Å; H571-Y589 WeakPolarHBondContact NE2-CE2 3.38Å; Y589-H591 HydrophobicContact CD1-CB 4.33Å; Y589-H591 HydrophobicContact CE1-CB 3.5Å; Y589-H591 HydrophobicContact CE2-CB 4.38Å; Y589-H591 WeakPolarHBondContact OH-CB 3.35Å; Y589-H591 PolarHBondContact OH-ND1 2.82Å; Y589-T633 CarbonylContact O-C 3.58Å; Y589-T633 VanDerWaalsContact O-CA 3.3Å; Y589-T633 WeakPolarHBondContact O-CA 3.42Å; Y589-N634 PolarHBondContact N-O 3.36Å; Y589-N634 PolarHBondContact O-N 2.78Å
590	I	79	Confident	73.9	Confident	35 Å²	35	58 Å²	58	18%	0.179	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.5	172.8	-56.5	171.4	0	0	0	107.6	K569 I570 L588 Y631 T632	K569-I590 CarbonylContact C-O 3.53Å; K569-I590 WeakPolarHBondContact CA-O 3.37Å; I570-I590 HydrophobicContact CB-CB 4.23Å; I570-I590 PolarHBondContact N-O 3.35Å; I570-I590 PolarHBondContact O-N 2.91Å; L588-I590 HydrophobicContact CD1-CG1 4.2Å; L588-I590 HydrophobicContact CD2-CD1 4.32Å; L588-I590 HydrophobicContact CG-CD1 4.41Å; L588-I590 HydrophobicContact CG-CG1 4.2Å; I590-Y631 HydrophobicContact CG2-CD2 4.39Å; I590-Y631 HydrophobicContact CG2-CE2 3.5Å; I590-Y631 VanDerWaalsContact CG2-CE2 3.5Å; I590-T632 CarbonylContact C-O 3.55Å; I590-T632 WeakPolarHBondContact CA-O 3.27Å
591	H	83.5	Confident	76	Confident	13 Å²	13	48.9 Å²	48.9	6%	0.06	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	111.1	178.8	177.7	-159.8	0	0	0	108.9	D567 I568 K569 Y589 W630 Y631 T632	D567-H591 IonicContact OD1-CD2 2.69Å; D567-H591 PolarHBondContact OD1-CD2 3.28Å; D567-H591 IonicContact OD1-CE1 2.81Å; D567-H591 IonicContact OD1-NE2 3.21Å; D567-H591 PolarHBondContact OD1-NE2 3.32Å; D567-H591 IonicContact OD2-NE2 3.15Å; I568-H591 WeakPolarHBondContact O-CA 3.49Å; K569-H591 HydrophobicContact CG-CB 4.47Å; Y589-H591 HydrophobicContact CD1-CB 4.33Å; Y589-H591 HydrophobicContact CE1-CB 3.5Å; Y589-H591 HydrophobicContact CE2-CB 4.38Å; Y589-H591 WeakPolarHBondContact OH-CB 3.35Å; Y589-H591 PolarHBondContact OH-ND1 2.82Å; H591-W630 AromaticContact CD2-NE1 3.88Å; H591-W630 AromaticContact CE1-CD1 3.97Å; H591-W630 AromaticContact CE1-NE1 3.45Å; H591-W630 PolarHBondContact CE1-NE1 3.04Å; H591-W630 AromaticContact NE2-NE1 3.25Å; H591-W630 PolarHBondContact NE2-NE1 2.85Å; H591-Y631 CarbonylContact O-C 3.55Å; H591-Y631 WeakPolarHBondContact O-CA 3.35Å; H591-T632 PolarHBondContact N-O 2.78Å; H591-T632 PolarHBondContact O-N 3.1Å
592	K	85.6	Confident	77.9	Confident	119 Å²	119	45.6 Å²	45.6	52%	0.517	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.6	176	-173.9	176	179.8	176.5	0	108.4	I568 W630 Y631	I568-K592 WeakPolarHBondContact CA-O 3.44Å; I568-K592 PolarHBondContact N-O 3.03Å; I568-K592 PolarHBondContact O-N 2.79Å; I568-K592 VanDerWaalsContact O-O 3.05Å; K592-W630 WeakPolarHBondContact CA-O 3.34Å; K592-Y631 HydrophobicContact CB-CD2 4.08Å; K592-Y631 HydrophobicContact CD-CD2 4.45Å; K592-Y631 HydrophobicContact CG-CD2 4.27Å
593	G	85.3	Confident	79.7	Confident	2 Å²	2	40 Å²	40	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	161.9	171.2	0	0	0	0	0	112.7	N566 Q629 W630	N566-G593 CarbonylContact O-C 3.49Å; N566-G593 WeakPolarHBondContact O-CA 3.41Å; G593-Q629 WeakPolarHBondContact O-CA 3.4Å; G593-W630 VanDerWaalsContact CA-CE2 3.4Å; G593-W630 PolarHBondContact N-O 3.09Å; G593-W630 PolarHBondContact O-N 2.85Å
594	N	87.9	Confident	81.3	Confident	45 Å²	45	37.5 Å²	37.5	24%	0.241	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	137.7	175.4	60.4	-68.6	0	0	0	109.1	N566 V628 Q629	N566-N594 WeakPolarHBondContact CB-OD1 3.37Å; N566-N594 PolarHBondContact N-O 3.15Å; N566-N594 PolarHBondContact ND2-OD1 3.28Å; N566-N594 PolarHBondContact O-N 2.91Å; N594-V628 CarbonylContact C-O 3.6Å; N594-V628 VanDerWaalsContact CA-O 3.28Å; N594-V628 WeakPolarHBondContact CA-O 3.49Å; N594-Q629 HydrophobicContact CB-CG 4.12Å
595	A	89.3	Confident	82.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143.4	-179.6	0	0	0	0	0	110.5	I162 F564 V565 I627 V628 W630	I162-A595 HydrophobicContact CB-CB 4.31Å; I162-A595 HydrophobicContact CD1-CB 3.84Å; I162-A595 HydrophobicContact CG1-CB 3.77Å; I162-A595 HydrophobicContact CG2-CB 3.56Å; F564-A595 CarbonylContact O-C 3.58Å; F564-A595 WeakPolarHBondContact O-CA 3.37Å; V565-A595 HydrophobicContact CG2-CB 3.79Å; A595-I627 CarbonylContact O-C 3.53Å; A595-I627 WeakPolarHBondContact O-CA 3.4Å; A595-V628 HydrophobicContact CB-CB 4.48Å; A595-V628 PolarHBondContact N-O 3.36Å; A595-V628 PolarHBondContact O-N 3.31Å; A595-W630 HydrophobicContact CB-CH2 3.86Å; A595-W630 HydrophobicContact CB-CZ3 3.62Å
596	I	89	Confident	83.6	Confident	61 Å²	61	35.8 Å²	35.8	31%	0.313	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.5	178.9	-53.8	177.1	0	0	0	107.6	F564 T625 F626 I627	F564-I596 HydrophobicContact CB-CB 4.25Å; F564-I596 HydrophobicContact CD1-CD1 4.4Å; F564-I596 HydrophobicContact CD1-CG1 4.33Å; F564-I596 PolarHBondContact N-O 3.02Å; F564-I596 PolarHBondContact O-N 3.07Å; I596-T625 HydrophobicContact CG2-CG2 4.38Å; I596-F626 CarbonylContact C-O 3.59Å; I596-F626 VanDerWaalsContact CA-O 3.32Å; I596-F626 WeakPolarHBondContact CA-O 3.41Å; I596-I627 HydrophobicContact CG1-CG1 4.28Å
597	Q	92	Very high	84.3	Confident	55 Å²	55	37.6 Å²	37.6	26%	0.257	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.6	167.9	-166.7	168.6	-65.2	0	0	107.9	T161 I162 I562 T625 F626	T161-Q597 VanDerWaalsContact CA-OE1 3.3Å; T161-Q597 VanDerWaalsContact CB-OE1 3.24Å; I162-Q597 HydrophobicContact CD1-CB 3.6Å; I162-Q597 HydrophobicContact CG1-CB 3.69Å; I562-Q597 WeakPolarHBondContact O-CA 3.45Å; Q597-T625 CarbonylContact O-C 3.51Å; Q597-T625 WeakPolarHBondContact O-CA 2.99Å; Q597-T625 WeakPolarHBondContact O-CG2 3.39Å; Q597-F626 HydrophobicContact CB-CD2 4.47Å; Q597-F626 PolarHBondContact N-O 3.46Å; Q597-F626 PolarHBondContact O-N 3.27Å
598	G	89.8	Confident	84.2	Confident	12 Å²	12	38.7 Å²	38.7	12%	0.124	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	177.6	174.4	0	0	0	0	0	111.9	E561 I562	E561-G598 WeakPolarHBondContact CA-O 3.42Å; I562-G598 PolarHBondContact N-O 2.89Å; I562-G598 PolarHBondContact O-N 3.13Å
599	Y	90.4	Very high	83.8	Confident	61 Å²	61	42.4 Å²	42.4	24%	0.239	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	149.7	169.7	66.1	-91.1	0	0	0	111.1	R559 T560 D601 G622	R559-Y599 HydrophobicContact CG-CD2 4.36Å; T560-Y599 CarbonylContact O-C 3.58Å; T560-Y599 WeakPolarHBondContact O-CA 3.41Å; Y599-D601 WeakPolarHBondContact CD2-OD1 3.36Å; Y599-G622 VanDerWaalsContact CE2-CA 3.4Å; Y599-G622 PolarHBondContact O-N 2.97Å; Y599-G622 WeakPolarHBondContact OH-CA 3.48Å
600	I	88.2	Confident	83.1	Confident	45 Å²	45	45.1 Å²	45.1	23%	0.231	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.6	173	-58.6	174	0	0	0	107.3	T560 M619 N620	T560-I600 PolarHBondContact N-O 3.06Å; T560-I600 PolarHBondContact O-N 3.38Å; I600-M619 HydrophobicContact CG2-CG 3.71Å; I600-M619 HydrophobicContact CG2-SD 4.31Å; I600-N620 CarbonylContact C-O 3.58Å; I600-N620 WeakPolarHBondContact CA-O 3.32Å
601	D	88.3	Confident	82.2	Confident	14 Å²	14	46.1 Å²	46.1	8%	0.075	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119.9	174.5	-78	1.4	0	0	0	109.2	N557 R559 Y599 I603 M619 N620	N557-D601 PolarHBondContact ND2-OD2 3.04Å; R559-D601 VanDerWaalsContact CB-OD1 3.25Å; R559-D601 WeakPolarHBondContact CB-OD1 3.28Å; R559-D601 VanDerWaalsContact CG-OD1 3.27Å; R559-D601 WeakPolarHBondContact CG-OD1 3.35Å; R559-D601 IonicContact CZ-OD1 3.53Å; R559-D601 IonicContact CZ-OD2 3.61Å; R559-D601 IonicContact NE-OD1 2.73Å; R559-D601 PolarHBondContact NE-OD1 3.22Å; R559-D601 IonicContact NE-OD2 3.57Å; R559-D601 IonicContact NH2-OD1 3.48Å; R559-D601 PolarHBondContact NH2-OD1 3.46Å; R559-D601 IonicContact NH2-OD2 2.78Å; R559-D601 PolarHBondContact NH2-OD2 3.25Å; Y599-D601 WeakPolarHBondContact CD2-OD1 3.36Å; D601-I603 HydrophobicContact CB-CD1 4.42Å; D601-I603 HydrophobicContact CB-CG1 4.2Å; D601-M619 WeakPolarHBondContact O-CA 3.42Å; D601-N620 PolarHBondContact N-O 2.84Å; D601-N620 PolarHBondContact O-N 3.09Å
602	F	85.8	Confident	81.1	Confident	40 Å²	40	47.5 Å²	47.5	18%	0.175	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	109.8	166.2	-172.7	-94.9	0	0	0	109	M412 V558 T604 L617 A618 M619 L669	M412-F602 HydrophobicContact SD-CD2 3.99Å; M412-F602 HydrophobicContact SD-CE2 4.23Å; V558-F602 HydrophobicContact CB-CB 4.44Å; V558-F602 PolarHBondContact N-O 3.07Å; V558-F602 PolarHBondContact O-N 3.35Å; F602-T604 WeakPolarHBondContact CE1-OG1 3.2Å; F602-L617 HydrophobicContact CE1-CD2 4.36Å; F602-L617 HydrophobicContact CZ-CD2 4.14Å; F602-A618 WeakPolarHBondContact CA-O 3.4Å; F602-M619 HydrophobicContact CD2-CB 4.45Å; F602-L669 HydrophobicContact CE2-CD1 4.28Å
603	I	85.8	Confident	80.1	Confident	7 Å²	7	46.5 Å²	46.5	4%	0.036	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	131	-173.8	-53.9	174.9	0	0	0	108.6	R555 N556 D601 L617 A618	R555-I603 HydrophobicContact CG-CG2 4.38Å; N556-I603 CarbonylContact O-C 3.6Å; N556-I603 WeakPolarHBondContact O-CA 3.22Å; D601-I603 HydrophobicContact CB-CD1 4.42Å; D601-I603 HydrophobicContact CB-CG1 4.2Å; I603-L617 CarbonylContact O-C 3.26Å; I603-L617 WeakPolarHBondContact O-CA 3.34Å; I603-A618 HydrophobicContact CB-CB 4.41Å; I603-A618 PolarHBondContact N-O 3.36Å; I603-A618 PolarHBondContact O-N 2.84Å
604	T	83.9	Confident	79.5	Confident	21 Å²	21	46.9 Å²	46.9	13%	0.129	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	108.8	171.8	-53.2	0	0	0	0	108.7	R555 N556 F602 I606 I615 L617	R555-T604 CarbonylContact C-O 3.52Å; R555-T604 WeakPolarHBondContact CA-O 3.32Å; N556-T604 PolarHBondContact N-O 3.08Å; N556-T604 PolarHBondContact O-N 2.99Å; F602-T604 WeakPolarHBondContact CE1-OG1 3.2Å; T604-I606 HydrophobicContact CG2-CD1 3.99Å; T604-I606 HydrophobicContact CG2-CG1 3.87Å; T604-I615 HydrophobicContact CG2-CG2 4.37Å; T604-L617 HydrophobicContact CG2-CD2 3.57Å; T604-L617 WeakPolarHBondContact OG1-CD2 3.5Å
605	D	83.2	Confident	78.9	Confident	18 Å²	18	46.8 Å²	46.8	10%	0.096	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.6	172.1	-72.4	-42.4	0	0	0	108.6	R555 I615 C616 M680	R555-D605 WeakPolarHBondContact CB-OD1 3.2Å; R555-D605 WeakPolarHBondContact CD-OD1 3.41Å; R555-D605 WeakPolarHBondContact CG-OD1 3.44Å; R555-D605 IonicContact CZ-OD1 3.85Å; R555-D605 IonicContact NE-OD1 3.91Å; R555-D605 IonicContact NH1-OD1 3.1Å; R555-D605 PolarHBondContact NH1-OD1 3.46Å; R555-D605 VanDerWaalsContact NH1-OD1 3.1Å; R555-D605 IonicContact NH1-OD2 3.2Å; R555-D605 PolarHBondContact NH1-OD2 3.22Å; D605-I615 WeakPolarHBondContact O-CA 3.34Å; D605-C616 HydrophobicContact CB-CB 4.27Å; D605-C616 PolarHBondContact N-O 3.03Å; D605-C616 PolarHBondContact O-N 2.79Å; D605-M680 HydrophobicContact CB-CE 4.07Å; D605-M680 WeakPolarHBondContact O-CE 3.37Å
606	I	78.6	Confident	78.6	Confident	59 Å²	59	46.8 Å²	46.8	30%	0.303	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.1	-179.4	-58.6	175.7	0	0	0	108.9	T553 G554 T604 I608 L611 S614 I615	T553-I606 CarbonylContact C-O 3.56Å; T553-I606 WeakPolarHBondContact CA-O 3.29Å; G554-I606 PolarHBondContact N-O 2.83Å; G554-I606 PolarHBondContact O-N 2.83Å; T604-I606 HydrophobicContact CG2-CD1 3.99Å; T604-I606 HydrophobicContact CG2-CG1 3.87Å; I606-I608 HydrophobicContact CG2-CG1 4.23Å; I606-L611 HydrophobicContact CG2-CD2 4.16Å; I606-S614 CarbonylContact C-O 3.49Å; I606-S614 WeakPolarHBondContact CA-O 3.36Å; I606-I615 HydrophobicContact CG1-CG1 4.4Å; I606-I615 HydrophobicContact CG1-CG2 4.42Å
607	N	76.2	Confident	78.3	Confident	43 Å²	43	44.7 Å²	44.7	23%	0.23	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	107.8	165.6	175.1	1	0	0	0	109	T553 K609 S614 M680	T553-N607 HydrophobicContact CG2-CB 4.19Å; N607-K609 PolarHBondContact O-N 3.49Å; N607-K609 VanDerWaalsContact O-N 3.14Å; N607-K609 WeakPolarHBondContact OD1-CB 3.37Å; N607-K609 WeakPolarHBondContact OD1-CG 3.36Å; N607-K609 PolarHBondContact OD1-N 2.78Å; N607-S614 PolarHBondContact N-O 3.27Å; N607-S614 WeakPolarHBondContact O-CB 3.47Å; N607-M680 HydrophobicContact CB-CE 4Å
608	I	69.9	Low	78	Confident	71 Å²	71	42.2 Å²	42.2	36%	0.364	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-64.6	-24.6	-169.9	-58.7	167.2	0	0	0	111.6	L444 L552 I606 N610 L611	L444-I608 HydrophobicContact CD1-CG2 4.33Å; L552-I608 HydrophobicContact CB-CB 4.16Å; L552-I608 WeakPolarHBondContact O-CB 3.25Å; L552-I608 PolarHBondContact O-N 3.01Å; I606-I608 HydrophobicContact CG2-CG1 4.23Å; I608-N610 PolarHBondContact O-N 3.26Å; I608-L611 HydrophobicContact CB-CD1 4.37Å; I608-L611 HydrophobicContact CG2-CD1 4.06Å
609	K	67.7	Low	77.7	Confident	121 Å²	121	42 Å²	42	53%	0.526	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-56.6	-30.8	-173.6	-67.2	-178.1	-179.7	179.6	0	114	R551 L552 N607	R551-K609 WeakPolarHBondContact O-CE 3.26Å; L552-K609 HydrophobicContact CB-CG 4.13Å; L552-K609 HydrophobicContact CD1-CG 3.97Å; N607-K609 PolarHBondContact O-N 3.49Å; N607-K609 VanDerWaalsContact O-N 3.14Å; N607-K609 WeakPolarHBondContact OD1-CB 3.37Å; N607-K609 WeakPolarHBondContact OD1-CG 3.36Å; N607-K609 PolarHBondContact OD1-N 2.78Å
610	N	66.4	Low	77.5	Confident	106 Å²	106	39.3 Å²	39.3	57%	0.567	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-135.4	43	-168.7	-74	-14.7	0	0	0	111.2	I608 D613 S614	I608-N610 PolarHBondContact O-N 3.26Å; N610-D613 PolarHBondContact O-N 3.08Å; N610-D613 VanDerWaalsContact O-N 3.09Å; N610-S614 WeakPolarHBondContact CB-OG 3.05Å; N610-S614 WeakPolarHBondContact O-CB 3.29Å; N610-S614 PolarHBondContact O-N 2.89Å; N610-S614 PolarHBondContact O-OG 3.46Å
611	L	60.2	Low	77.4	Confident	56 Å²	56	38.2 Å²	38.2	29%	0.293	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	145.7	176.9	-72.9	171.1	0	0	0	112.4	Y446 I606 I608 I615	Y446-L611 PolarHBondContact OH-N 2.97Å; Y446-L611 PolarHBondContact OH-O 3.28Å; I606-L611 HydrophobicContact CG2-CD2 4.16Å; I608-L611 HydrophobicContact CB-CD1 4.37Å; I608-L611 HydrophobicContact CG2-CD1 4.06Å; L611-I615 HydrophobicContact CD2-CD1 3.89Å; L611-I615 HydrophobicContact CD2-CG1 3.63Å
612	P	60	Low	77.1	Confident	41 Å²	41	37.6 Å²	37.6	27%	0.266	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87.7	0.7	0.6	36.2	-36.2	0	0	0	114.2	L401 S614	L401-P612 HydrophobicContact CD1-CB 4.16Å; P612-S614 PolarHBondContact O-N 3.49Å
613	D	65	Low	76.5	Confident	99 Å²	99	37.3 Å²	37.3	53%	0.529	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-0.1	-174.4	-67.4	-24.6	0	0	0	114.2	N610	N610-D613 PolarHBondContact O-N 3.08Å; N610-D613 VanDerWaalsContact O-N 3.09Å
614	S	72.5	Confident	76	Confident	10 Å²	10	41.8 Å²	41.8	7%	0.07	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	36.1	-172.3	-61.9	0	0	0	0	112.6	I606 N607 N610 P612 M680	I606-S614 CarbonylContact C-O 3.49Å; I606-S614 WeakPolarHBondContact CA-O 3.36Å; N607-S614 PolarHBondContact N-O 3.27Å; N607-S614 WeakPolarHBondContact O-CB 3.47Å; N610-S614 WeakPolarHBondContact CB-OG 3.05Å; N610-S614 WeakPolarHBondContact O-CB 3.29Å; N610-S614 PolarHBondContact O-N 2.89Å; N610-S614 PolarHBondContact O-OG 3.46Å; P612-S614 PolarHBondContact O-N 3.49Å; S614-M680 WeakPolarHBondContact O-CE 3.42Å
615	I	74.2	Confident	75.9	Confident	42 Å²	42	41.2 Å²	41.2	22%	0.215	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.8	167.2	-56	176.8	0	0	0	106.7	T604 D605 I606 L611 L617 K676	T604-I615 HydrophobicContact CG2-CG2 4.37Å; D605-I615 WeakPolarHBondContact O-CA 3.34Å; I606-I615 HydrophobicContact CG1-CG1 4.4Å; I606-I615 HydrophobicContact CG1-CG2 4.42Å; L611-I615 HydrophobicContact CD2-CD1 3.89Å; L611-I615 HydrophobicContact CD2-CG1 3.63Å; I615-L617 HydrophobicContact CG2-CD2 4.2Å; I615-L617 HydrophobicContact CG2-CG 4.39Å; I615-K676 WeakPolarHBondContact O-CB 3.32Å; I615-K676 WeakPolarHBondContact O-CD 3.47Å
616	C	82.8	Confident	76	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.007	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.2	173	164	0	0	0	0	108.9	D605 C677 M680 A682	D605-C616 HydrophobicContact CB-CB 4.27Å; D605-C616 PolarHBondContact N-O 3.03Å; D605-C616 PolarHBondContact O-N 2.79Å; C616-C677 VanDerWaalsContact CA-SG 3.54Å; C616-C677 HydrophobicContact CB-CB 3.94Å; C616-C677 WeakPolarHBondContact CB-SG 3.5Å; C616-C677 WeakPolarHBondContact SG-CA 3.3Å; C616-C677 WeakPolarHBondContact SG-CB 3.5Å; C616-C677 CovalentContact SG-SG 2.03Å; C616-C677 PolarHBondContact SG-SG 3.16Å; C616-M680 HydrophobicContact CB-CE 4.36Å; C616-M680 HydrophobicContact CB-SD 3.61Å; C616-A682 HydrophobicContact CB-CB 4.23Å; C616-A682 WeakPolarHBondContact SG-CB 3.14Å
617	L	83.9	Confident	76.3	Confident	17 Å²	17	42.7 Å²	42.7	9%	0.089	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.7	175.5	-56.2	173.4	0	0	0	109.4	L380 F602 I603 T604 I615 L669 N673 C677	L380-L617 HydrophobicContact CD1-CD1 3.3Å; L380-L617 HydrophobicContact CD2-CD1 4.19Å; L380-L617 HydrophobicContact CG-CD1 4.37Å; F602-L617 HydrophobicContact CE1-CD2 4.36Å; F602-L617 HydrophobicContact CZ-CD2 4.14Å; I603-L617 CarbonylContact O-C 3.26Å; I603-L617 WeakPolarHBondContact O-CA 3.34Å; T604-L617 HydrophobicContact CG2-CD2 3.57Å; T604-L617 WeakPolarHBondContact OG1-CD2 3.5Å; I615-L617 HydrophobicContact CG2-CD2 4.2Å; I615-L617 HydrophobicContact CG2-CG 4.39Å; L617-L669 HydrophobicContact CB-CD1 3.78Å; L617-N673 WeakPolarHBondContact CB-OD1 2.93Å; L617-N673 PolarHBondContact N-OD1 3.28Å; L617-N673 PolarHBondContact O-ND2 2.92Å; L617-C677 PolarHBondContact O-SG 3.12Å; L617-C677 VanDerWaalsContact O-SG 3.42Å
618	A	84.5	Confident	76.8	Confident	2 Å²	2	41.5 Å²	41.5	2%	0.017	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	139.5	172.4	0	0	0	0	0	110.6	F602 I603 T684	F602-A618 WeakPolarHBondContact CA-O 3.4Å; I603-A618 HydrophobicContact CB-CB 4.41Å; I603-A618 PolarHBondContact N-O 3.36Å; I603-A618 PolarHBondContact O-N 2.84Å; A618-T684 HydrophobicContact CB-CG2 3.47Å; A618-T684 VanDerWaalsContact CB-CG2 3.47Å
619	M	85.1	Confident	77.5	Confident	8 Å²	8	41.5 Å²	41.5	4%	0.039	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115	172.3	-176.8	170.2	77.7	0	0	108.1	Y395 M412 I600 D601 F602 Y667 L669	Y395-M619 HydrophobicContact CD2-CE 3.98Å; Y395-M619 HydrophobicContact CE2-CE 3.88Å; M412-M619 HydrophobicContact CE-SD 3.5Å; M412-M619 WeakPolarHBondContact CE-SD 3.43Å; I600-M619 HydrophobicContact CG2-CG 3.71Å; I600-M619 HydrophobicContact CG2-SD 4.31Å; D601-M619 WeakPolarHBondContact O-CA 3.42Å; F602-M619 HydrophobicContact CD2-CB 4.45Å; M619-Y667 HydrophobicContact CB-CD2 4.48Å; M619-Y667 HydrophobicContact CE-CD1 4.01Å; M619-Y667 HydrophobicContact CE-CD2 3.58Å; M619-Y667 HydrophobicContact CE-CE2 4.35Å; M619-Y667 HydrophobicContact CE-CG 3.38Å; M619-Y667 HydrophobicContact CG-CD2 3.97Å; M619-Y667 PolarHBondContact O-N 3.03Å; M619-L669 HydrophobicContact CB-CD1 4.22Å; M619-L669 HydrophobicContact CB-CD2 4.18Å; M619-L669 HydrophobicContact CB-CG 4.43Å
620	N	86.3	Confident	78.2	Confident	5 Å²	5	36 Å²	36	3%	0.027	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.5	-171.9	-62.6	-41.8	0	0	0	110.7	I600 D601 S666 I685	I600-N620 CarbonylContact C-O 3.58Å; I600-N620 WeakPolarHBondContact CA-O 3.32Å; D601-N620 PolarHBondContact N-O 2.84Å; D601-N620 PolarHBondContact O-N 3.09Å; N620-S666 WeakPolarHBondContact OD1-CB 3.41Å; N620-S666 PolarHBondContact OD1-OG 2.86Å; N620-I685 HydrophobicContact CB-CD1 3.77Å; N620-I685 HydrophobicContact CB-CG1 4.3Å
621	Q	86	Confident	78.9	Confident	22 Å²	22	33.4 Å²	33.4	10%	0.103	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130.9	164.6	178.2	179.4	-20.5	0	0	109.7	T625 V665 Y667	Q621-T625 PolarHBondContact NE2-OG1 3.08Å; Q621-V665 PolarHBondContact N-O 3.06Å; Q621-Y667 HydrophobicContact CB-CE2 4.07Å; Q621-Y667 PolarHBondContact OE1-OH 3.44Å
622	G	81.1	Confident	79.7	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.01	17%	0.168	C	C	.	.			trans	-64	142.8	177.7	0	0	0	0	0	113.8	Y599 N624 T625	Y599-G622 VanDerWaalsContact CE2-CA 3.4Å; Y599-G622 PolarHBondContact O-N 2.97Å; Y599-G622 WeakPolarHBondContact OH-CA 3.48Å; G622-N624 PolarHBondContact O-N 3.34Å; G622-T625 PolarHBondContact O-N 2.94Å; G622-T625 PolarHBondContact O-OG1 3.43Å
623	G	73.5	Confident	80.4	Confident	33 Å²	33	30.5 Å²	30.5	34%	0.34	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	1.2	-179.8	0	0	0	0	0	116.3
624	N	73.9	Confident	80.9	Confident	102 Å²	102	28.2 Å²	28.2	55%	0.545	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	43	179.6	-68.3	-4	0	0	0	110.3	G622 F626	G622-N624 PolarHBondContact O-N 3.34Å; N624-F626 HydrophobicContact CB-CE2 3.74Å; N624-F626 HydrophobicContact CB-CZ 3.97Å; N624-F626 WeakPolarHBondContact O-CD2 3.46Å; N624-F626 WeakPolarHBondContact O-CE2 3.07Å; N624-F626 PolarHBondContact O-N 3.28Å
625	T	83.4	Confident	80.6	Confident	8 Å²	8	31 Å²	31	5%	0.049	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	110.8	174.3	-55.6	0	0	0	0	108.5	I596 Q597 Q621 G622 L662	I596-T625 HydrophobicContact CG2-CG2 4.38Å; Q597-T625 CarbonylContact O-C 3.51Å; Q597-T625 WeakPolarHBondContact O-CA 2.99Å; Q597-T625 WeakPolarHBondContact O-CG2 3.39Å; Q621-T625 PolarHBondContact NE2-OG1 3.08Å; G622-T625 PolarHBondContact O-N 2.94Å; G622-T625 PolarHBondContact O-OG1 3.43Å; T625-L662 HydrophobicContact CG2-CB 4.4Å; T625-L662 HydrophobicContact CG2-CD1 3.89Å; T625-L662 HydrophobicContact CG2-CG 4.39Å; T625-L662 PolarHBondContact O-N 3.47Å
626	F	84.8	Confident	80.1	Confident	79 Å²	79	31.4 Å²	31.4	35%	0.346	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	136	-176.5	-57.4	-79.9	0	0	0	110.2	I596 Q597 N624 T661	I596-F626 CarbonylContact C-O 3.59Å; I596-F626 VanDerWaalsContact CA-O 3.32Å; I596-F626 WeakPolarHBondContact CA-O 3.41Å; Q597-F626 HydrophobicContact CB-CD2 4.47Å; Q597-F626 PolarHBondContact N-O 3.46Å; Q597-F626 PolarHBondContact O-N 3.27Å; N624-F626 HydrophobicContact CB-CE2 3.74Å; N624-F626 HydrophobicContact CB-CZ 3.97Å; N624-F626 WeakPolarHBondContact O-CD2 3.46Å; N624-F626 WeakPolarHBondContact O-CE2 3.07Å; N624-F626 PolarHBondContact O-N 3.28Å; F626-T661 HydrophobicContact CD1-CG2 3.53Å; F626-T661 HydrophobicContact CE1-CG2 3.57Å
627	I	85.6	Confident	78.8	Confident	29 Å²	29	37.3 Å²	37.3	15%	0.149	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.4	167.1	-55.6	179.8	0	0	0	107.2	A595 I596 Q629 N659 Y660 L662	A595-I627 CarbonylContact O-C 3.53Å; A595-I627 WeakPolarHBondContact O-CA 3.4Å; I596-I627 HydrophobicContact CG1-CG1 4.28Å; I627-Q629 HydrophobicContact CG2-CG 4.23Å; I627-N659 CarbonylContact O-C 3.46Å; I627-N659 WeakPolarHBondContact O-CA 3.45Å; I627-Y660 PolarHBondContact N-O 3.28Å; I627-Y660 PolarHBondContact O-N 2.89Å; I627-L662 HydrophobicContact CD1-CD1 3.96Å; I627-L662 HydrophobicContact CD1-CD2 3.96Å; I627-L662 HydrophobicContact CD1-CG 3.96Å; I627-L662 HydrophobicContact CG1-CD1 4.48Å; I627-L662 HydrophobicContact CG1-CG 4.36Å
628	V	85.8	Confident	77.4	Confident	19 Å²	19	41.2 Å²	41.2	12%	0.115	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.9	174.4	178.1	0	0	0	0	106.8	I162 N594 A595 W630 V657 N659	I162-V628 HydrophobicContact CD1-CG2 4.27Å; N594-V628 CarbonylContact C-O 3.6Å; N594-V628 VanDerWaalsContact CA-O 3.28Å; N594-V628 WeakPolarHBondContact CA-O 3.49Å; A595-V628 HydrophobicContact CB-CB 4.48Å; A595-V628 PolarHBondContact N-O 3.36Å; A595-V628 PolarHBondContact O-N 3.31Å; V628-W630 HydrophobicContact CG1-CE3 4Å; V628-W630 HydrophobicContact CG1-CZ3 4.24Å; V628-V657 HydrophobicContact CG1-CG1 4.27Å; V628-N659 WeakPolarHBondContact CG1-OD1 3.49Å
629	Q	85.3	Confident	75.4	Confident	70 Å²	70	44.9 Å²	44.9	33%	0.327	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.1	170.8	-49.6	-179.6	-5.9	0	0	108.5	G593 N594 I627 V657 S658	G593-Q629 WeakPolarHBondContact O-CA 3.4Å; N594-Q629 HydrophobicContact CB-CG 4.12Å; I627-Q629 HydrophobicContact CG2-CG 4.23Å; Q629-V657 CarbonylContact O-C 3.38Å; Q629-V657 VanDerWaalsContact O-CA 3.3Å; Q629-V657 WeakPolarHBondContact O-CA 3.37Å; Q629-S658 WeakPolarHBondContact CB-OG 3.15Å; Q629-S658 PolarHBondContact N-O 2.03Å; Q629-S658 PolarHBondContact O-N 3.43Å
630	W	82.7	Confident	73.5	Confident	6 Å²	6	50 Å²	50	2%	0.023	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147.2	173.8	60.6	93.6	0	0	0	110.4	Y104 V565 H591 K592 G593 A595 V628 Y656 V657	Y104-W630 HydrophobicContact CD1-CE3 4.49Å; Y104-W630 HydrophobicContact CE1-CZ3 4.5Å; V565-W630 HydrophobicContact CG1-CH2 3.94Å; V565-W630 HydrophobicContact CG1-CZ2 4.31Å; H591-W630 AromaticContact CD2-NE1 3.88Å; H591-W630 AromaticContact CE1-CD1 3.97Å; H591-W630 AromaticContact CE1-NE1 3.45Å; H591-W630 PolarHBondContact CE1-NE1 3.04Å; H591-W630 AromaticContact NE2-NE1 3.25Å; H591-W630 PolarHBondContact NE2-NE1 2.85Å; K592-W630 WeakPolarHBondContact CA-O 3.34Å; G593-W630 VanDerWaalsContact CA-CE2 3.4Å; G593-W630 PolarHBondContact N-O 3.09Å; G593-W630 PolarHBondContact O-N 2.85Å; A595-W630 HydrophobicContact CB-CH2 3.86Å; A595-W630 HydrophobicContact CB-CZ3 3.62Å; V628-W630 HydrophobicContact CG1-CE3 4Å; V628-W630 HydrophobicContact CG1-CZ3 4.24Å; W630-Y656 CarbonylContact C-O 3.58Å; W630-Y656 VanDerWaalsContact CA-O 3.22Å; W630-Y656 WeakPolarHBondContact CA-O 3.36Å; W630-V657 HydrophobicContact CB-CG2 4.09Å
631	Y	80.8	Confident	71.5	Confident	52 Å²	52	55.4 Å²	55.4	20%	0.204	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.9	171.6	178.6	-96.4	0	0	0	107.8	I590 H591 K592 T633 Y654 H655 Y656	I590-Y631 HydrophobicContact CG2-CD2 4.39Å; I590-Y631 HydrophobicContact CG2-CE2 3.5Å; I590-Y631 VanDerWaalsContact CG2-CE2 3.5Å; H591-Y631 CarbonylContact O-C 3.55Å; H591-Y631 WeakPolarHBondContact O-CA 3.35Å; K592-Y631 HydrophobicContact CB-CD2 4.08Å; K592-Y631 HydrophobicContact CD-CD2 4.45Å; K592-Y631 HydrophobicContact CG-CD2 4.27Å; Y631-T633 HydrophobicContact CE1-CG2 3.85Å; Y631-Y654 AromaticContact CD1-CD1 3.71Å; Y631-Y654 HydrophobicContact CD1-CD1 3.71Å; Y631-Y654 AromaticContact CD1-CE1 3.79Å; Y631-Y654 HydrophobicContact CD1-CE1 3.79Å; Y631-Y654 AromaticContact CE1-CD1 3.88Å; Y631-Y654 HydrophobicContact CE1-CD1 3.88Å; Y631-Y654 HydrophobicContact CE1-CE1 4.2Å; Y631-H655 CarbonylContact O-C 3.56Å; Y631-H655 WeakPolarHBondContact O-CA 3.48Å; Y631-Y656 PolarHBondContact N-O 2.86Å; Y631-Y656 PolarHBondContact O-N 3.2Å
632	T	76	Confident	69.2	Low	8 Å²	8	63.1 Å²	63.1	5%	0.049	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.9	177	-69.3	0	0	0	0	107.2	I590 H591 Y654 H655	I590-T632 CarbonylContact C-O 3.55Å; I590-T632 WeakPolarHBondContact CA-O 3.27Å; H591-T632 PolarHBondContact N-O 2.78Å; H591-T632 PolarHBondContact O-N 3.1Å; T632-Y654 CarbonylContact C-O 3.41Å; T632-Y654 VanDerWaalsContact CA-O 3.23Å; T632-Y654 WeakPolarHBondContact CA-O 3.47Å; T632-H655 WeakPolarHBondContact CG2-CE1 2.96Å; T632-H655 WeakPolarHBondContact CG2-ND1 3.48Å; T632-H655 PolarHBondContact OG1-ND1 2.87Å
633	T	76.1	Confident	66.8	Low	27 Å²	27	69 Å²	69	17%	0.166	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.8	165	178.1	0	0	0	0	107.9	Y589 Y631 S653 Y654	Y589-T633 CarbonylContact O-C 3.58Å; Y589-T633 VanDerWaalsContact O-CA 3.3Å; Y589-T633 WeakPolarHBondContact O-CA 3.42Å; Y631-T633 HydrophobicContact CE1-CG2 3.85Å; T633-S653 CarbonylContact O-C 3.57Å; T633-S653 VanDerWaalsContact O-CA 3.28Å; T633-S653 WeakPolarHBondContact O-CA 3.45Å; T633-Y654 HydrophobicContact CG2-CD1 4.33Å; T633-Y654 HydrophobicContact CG2-CG 4.43Å; T633-Y654 PolarHBondContact N-O 2.76Å; T633-Y654 PolarHBondContact O-N 2.81Å
634	N	74.4	Confident	64.8	Low	51 Å²	51	72 Å²	72	27%	0.273	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.4	171.5	-170	13.7	0	0	0	107.9	Y589	Y589-N634 PolarHBondContact N-O 3.36Å; Y589-N634 PolarHBondContact O-N 2.78Å
635	M	66.3	Low	62.7	Low	68 Å²	68	73 Å²	73	34%	0.335	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	110.3	175.8	-173.9	171.7	178.8	0	0	107.7	L588 M637	L588-M635 HydrophobicContact CD1-CB 4.15Å; M635-M637 HydrophobicContact CE-CE 3.16Å; M635-M637 HydrophobicContact CE-CG 3.86Å; M635-M637 HydrophobicContact CE-SD 3.89Å
636	T	64.4	Low	60	Low	52 Å²	52	79.4 Å²	79.4	32%	0.319	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.7	172	55.2	0	0	0	0	107.6	H587	H587-T636 PolarHBondContact N-O 3.06Å; H587-T636 PolarHBondContact O-N 2.77Å; H587-T636 PolarHBondContact O-OG1 3.11Å
637	M	55.4	Low	57.4	Low	124 Å²	124	83.6 Å²	83.6	61%	0.611	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.4	166.4	-74.4	-161.9	150.5	0	0	108.2	M635 S639	M635-M637 HydrophobicContact CE-CE 3.16Å; M635-M637 HydrophobicContact CE-CG 3.86Å; M635-M637 HydrophobicContact CE-SD 3.89Å; M637-S639 PolarHBondContact O-N 3.04Å
638	D	53.9	Low	54.8	Low	99 Å²	99	90.1 Å²	90.1	53%	0.529	49%	0.493	S	S	.	.			trans	-70.1	106.5	170.5	-104	-13.4	0	0	0	108.3	I585 T640	I585-D638 PolarHBondContact O-N 2.96Å; D638-T640 PolarHBondContact O-N 3.26Å
639	S	42.9	Very low	52.3	Low	80 Å²	80	95.4 Å²	95.4	56%	0.559	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	13.1	-174.9	54.9	0	0	0	0	114.3	M637 N649	M637-S639 PolarHBondContact O-N 3.04Å; S639-N649 PolarHBondContact OG-OD1 3.14Å
640	T	44.4	Very low	49.9	Very low	116 Å²	116	95.7 Å²	95.7	71%	0.712	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-8.4	-168.6	52.6	0	0	0	0	114.7	D638	D638-T640 PolarHBondContact O-N 3.26Å
641	K	45.4	Very low	48.4	Very low	117 Å²	117	100.6 Å²	100.6	51%	0.509	55%	0.551	S	S	.	*	S	Bend	trans	-109.8	-4.9	-178.9	-73	-169.8	179	-172.2	0	117.3	D576	D576-K641 IonicContact OD2-NZ 2.72Å; D576-K641 PolarHBondContact OD2-NZ 2.88Å
642	H	36.9	Very low	46.9	Very low	184 Å²	184	103.7 Å²	103.7	85%	0.852	57%	0.567	S	S	*	*			trans	-120.5	82.1	176	-73.5	-47.5	0	0	0	113.1	S644	H642-S644 PolarHBondContact O-N 3.3Å
643	S	31.8	Very low	46.2	Very low	124 Å²	124	106.1 Å²	106.1	87%	0.867	59%	0.585	S	S	*	*			trans	-83.2	79	173.8	50.1	0	0	0	0	112.3
644	S	31.8	Very low	45	Very low	98 Å²	98	110.9 Å²	110.9	69%	0.685	60%	0.601	S	S	*	*	S	Bend	trans	-161.1	119.8	145	56.4	0	0	0	0	110.3	H642	H642-S644 PolarHBondContact O-N 3.3Å
645	T	29	Very low	45	Very low	121 Å²	121	113.8 Å²	113.8	74%	0.742	61%	0.612	S	S	*	*	S	Bend	trans	68.2	96.7	166.4	56.7	0	0	0	0	117.5	M647	T645-M647 PolarHBondContact O-N 2.92Å
646	T	27.4	Very low	45.3	Very low	143 Å²	143	115.3 Å²	115.3	88%	0.877	62%	0.615	S	S	*	*			trans	40.8	77.8	141.5	53.7	0	0	0	0	116.2
647	M	28.8	Very low	46.1	Very low	168 Å²	168	115.6 Å²	115.6	83%	0.828	62%	0.617	S	S	*	*			trans	-120.7	121	151.3	-66.3	-152.4	92.5	0	0	108	T645	T645-M647 PolarHBondContact O-N 2.92Å
648	Q	30.8	Very low	47.2	Very low	165 Å²	165	110.2 Å²	110.2	77%	0.771	59%	0.591	S	S	*	*			trans	-49.9	144.9	169.7	-72.8	164.1	-56.1	0	0	108.8	N650	Q648-N650 PolarHBondContact O-N 3.35Å
649	N	34.9	Very low	48.6	Very low	130 Å²	130	109.8 Å²	109.8	70%	0.695	59%	0.589	S	S	*	*			trans	-55.7	85.2	161.4	-84.8	-2.1	0	0	0	107.4	S639 D651	S639-N649 PolarHBondContact OG-OD1 3.14Å; N649-D651 PolarHBondContact O-N 2.79Å; N649-D651 VanDerWaalsContact O-N 3.08Å
650	N	34.8	Very low	50.5	Low	76 Å²	76	109.4 Å²	109.4	41%	0.406	58%	0.576	S	S	.	*			trans	-81.8	83.9	170.1	-80.2	-3.4	0	0	0	105.6	Q648 H652	Q648-N650 PolarHBondContact O-N 3.35Å; N650-H652 WeakPolarHBondContact CB-NE2 3.28Å; N650-H652 PolarHBondContact ND2-CE1 3.37Å; N650-H652 PolarHBondContact ND2-NE2 2.83Å; N650-H652 PolarHBondContact O-N 2.64Å
651	D	50.1	Low	52.3	Low	109 Å²	109	108 Å²	108	58%	0.583	57%	0.567	S	S	*	*			trans	-61	86.8	154	-84.6	-18.8	0	0	0	106	N649 S653	N649-D651 PolarHBondContact O-N 2.79Å; N649-D651 VanDerWaalsContact O-N 3.08Å; D651-S653 PolarHBondContact O-N 3.43Å
652	H	49.5	Very low	54	Low	117 Å²	117	105.6 Å²	105.6	54%	0.542	56%	0.559	S	S	.	*			trans	-75	69.4	172.8	-71.9	-56.4	0	0	0	107.6	N650	N650-H652 WeakPolarHBondContact CB-NE2 3.28Å; N650-H652 PolarHBondContact ND2-CE1 3.37Å; N650-H652 PolarHBondContact ND2-NE2 2.83Å; N650-H652 PolarHBondContact O-N 2.64Å
653	S	61.4	Low	56.1	Low	60 Å²	60	103.9 Å²	103.9	42%	0.42	55%	0.552	S	S	.	*			trans	-83.9	112.2	167.9	58.3	0	0	0	0	108.3	T633 D651	T633-S653 CarbonylContact O-C 3.57Å; T633-S653 VanDerWaalsContact O-CA 3.28Å; T633-S653 WeakPolarHBondContact O-CA 3.45Å; D651-S653 PolarHBondContact O-N 3.43Å
654	Y	51.3	Low	58.5	Low	127 Å²	127	100.4 Å²	100.4	50%	0.498	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.8	172.4	173.2	-89.1	0	0	0	107.7	Y631 T632 T633	Y631-Y654 AromaticContact CD1-CD1 3.71Å; Y631-Y654 HydrophobicContact CD1-CD1 3.71Å; Y631-Y654 AromaticContact CD1-CE1 3.79Å; Y631-Y654 HydrophobicContact CD1-CE1 3.79Å; Y631-Y654 AromaticContact CE1-CD1 3.88Å; Y631-Y654 HydrophobicContact CE1-CD1 3.88Å; Y631-Y654 HydrophobicContact CE1-CE1 4.2Å; T632-Y654 CarbonylContact C-O 3.41Å; T632-Y654 VanDerWaalsContact CA-O 3.23Å; T632-Y654 WeakPolarHBondContact CA-O 3.47Å; T633-Y654 HydrophobicContact CG2-CD1 4.33Å; T633-Y654 HydrophobicContact CG2-CG 4.43Å; T633-Y654 PolarHBondContact N-O 2.76Å; T633-Y654 PolarHBondContact O-N 2.81Å
655	H	74.2	Confident	60.9	Low	111 Å²	111	98.9 Å²	98.9	51%	0.514	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.4	177.2	-62.3	-78.2	0	0	0	108.9	Y631 T632	Y631-H655 CarbonylContact O-C 3.56Å; Y631-H655 WeakPolarHBondContact O-CA 3.48Å; T632-H655 WeakPolarHBondContact CG2-CE1 2.96Å; T632-H655 WeakPolarHBondContact CG2-ND1 3.48Å; T632-H655 PolarHBondContact OG1-ND1 2.87Å
656	Y	72.5	Confident	63.4	Low	101 Å²	101	94.6 Å²	94.6	40%	0.396	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.8	175.7	175.1	-94.5	0	0	0	108.5	W630 Y631 S658	W630-Y656 CarbonylContact C-O 3.58Å; W630-Y656 VanDerWaalsContact CA-O 3.22Å; W630-Y656 WeakPolarHBondContact CA-O 3.36Å; Y631-Y656 PolarHBondContact N-O 2.86Å; Y631-Y656 PolarHBondContact O-N 3.2Å; Y656-S658 WeakPolarHBondContact OH-CB 3.39Å
657	V	79.9	Confident	65.9	Low	58 Å²	58	90.3 Å²	90.3	35%	0.352	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126.4	173.5	-177.4	0	0	0	0	108.1	V628 Q629 W630	V628-V657 HydrophobicContact CG1-CG1 4.27Å; Q629-V657 CarbonylContact O-C 3.38Å; Q629-V657 VanDerWaalsContact O-CA 3.3Å; Q629-V657 WeakPolarHBondContact O-CA 3.37Å; W630-V657 HydrophobicContact CB-CG2 4.09Å
658	S	80	Confident	68.2	Low	10 Å²	10	85.3 Å²	85.3	7%	0.07	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.6	176.4	60.2	0	0	0	0	110.1	Q629 Y656 Y660	Q629-S658 WeakPolarHBondContact CB-OG 3.15Å; Q629-S658 PolarHBondContact N-O 2.03Å; Q629-S658 PolarHBondContact O-N 3.43Å; Y656-S658 WeakPolarHBondContact OH-CB 3.39Å; S658-Y660 WeakPolarHBondContact OG-CE2 3.38Å
659	N	82.2	Confident	70.3	Confident	90 Å²	90	77.5 Å²	77.5	48%	0.481	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.6	-179.7	-63.3	-22.9	0	0	0	109.6	I627 V628	I627-N659 CarbonylContact O-C 3.46Å; I627-N659 WeakPolarHBondContact O-CA 3.45Å; V628-N659 WeakPolarHBondContact CG1-OD1 3.49Å
660	Y	82.4	Confident	72.2	Confident	73 Å²	73	71.9 Å²	71.9	29%	0.286	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142	177.5	-52.8	-88	0	0	0	109.4	I627 S658	I627-Y660 PolarHBondContact N-O 3.28Å; I627-Y660 PolarHBondContact O-N 2.89Å; S658-Y660 WeakPolarHBondContact OG-CE2 3.38Å
661	T	83.9	Confident	74.3	Confident	87 Å²	87	76.3 Å²	76.3	53%	0.534	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.4	168.9	45.8	0	0	0	0	108.6	F626	F626-T661 HydrophobicContact CD1-CG2 3.53Å; F626-T661 HydrophobicContact CE1-CG2 3.57Å
662	L	79.6	Confident	75.6	Confident	66 Å²	66	76.3 Å²	76.3	35%	0.346	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	136.3	171.8	-60.9	-178.2	0	0	0	109.3	T625 I627	T625-L662 HydrophobicContact CG2-CB 4.4Å; T625-L662 HydrophobicContact CG2-CD1 3.89Å; T625-L662 HydrophobicContact CG2-CG 4.39Å; T625-L662 PolarHBondContact O-N 3.47Å; I627-L662 HydrophobicContact CD1-CD1 3.96Å; I627-L662 HydrophobicContact CD1-CD2 3.96Å; I627-L662 HydrophobicContact CD1-CG 3.96Å; I627-L662 HydrophobicContact CG1-CD1 4.48Å; I627-L662 HydrophobicContact CG1-CG 4.36Å
663	Q	80.8	Confident	77	Confident	148 Å²	148	71 Å²	71	69%	0.692	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-63.2	144.5	170.9	-64.9	-61.2	-35.4	0	0	109.9
664	P	83.2	Confident	78	Confident	50 Å²	50	69.3 Å²	69.3	33%	0.325	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-61.6	140.1	174.4	24.5	-31.1	0	0	0	110.6	I685	P664-I685 HydrophobicContact CB-CG2 4.3Å
665	V	82.1	Confident	79.6	Confident	67 Å²	67	66.5 Å²	66.5	41%	0.406	34%	0.337	S	S	.	.			trans	-128.5	138.3	178.8	180	0	0	0	0	109	Q621	Q621-V665 PolarHBondContact N-O 3.06Å
666	S	81.8	Confident	80	Confident	30 Å²	30	62.7 Å²	62.7	21%	0.21	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.1	166.1	-163	0	0	0	0	108.9	N620 W686	N620-S666 WeakPolarHBondContact OD1-CB 3.41Å; N620-S666 PolarHBondContact OD1-OG 2.86Å; S666-W686 PolarHBondContact OG-NE1 2.92Å
667	Y	79.1	Confident	80.5	Confident	54 Å²	54	58.2 Å²	58.2	21%	0.212	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	135.7	179.2	-62.8	-89.1	0	0	0	109.8	M619 Q621 L669	M619-Y667 HydrophobicContact CB-CD2 4.48Å; M619-Y667 HydrophobicContact CE-CD1 4.01Å; M619-Y667 HydrophobicContact CE-CD2 3.58Å; M619-Y667 HydrophobicContact CE-CE2 4.35Å; M619-Y667 HydrophobicContact CE-CG 3.38Å; M619-Y667 HydrophobicContact CG-CD2 3.97Å; M619-Y667 PolarHBondContact O-N 3.03Å; Q621-Y667 HydrophobicContact CB-CE2 4.07Å; Q621-Y667 PolarHBondContact OE1-OH 3.44Å; Y667-L669 PolarHBondContact O-N 2.95Å
668	N	77.4	Confident	80.8	Confident	63 Å²	63	63.3 Å²	63.3	34%	0.337	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-72.2	126.1	178.1	-171.5	9	0	0	0	109.7	H381 G670 S674	H381-N668 PolarHBondContact CD2-O 3.49Å; H381-N668 PolarHBondContact CE1-O 3.17Å; H381-N668 PolarHBondContact ND1-O 3.12Å; H381-N668 PolarHBondContact NE2-O 2.82Å; N668-G670 PolarHBondContact OD1-N 3.39Å; N668-S674 PolarHBondContact OD1-OG 3.22Å
669	L	75.8	Confident	81	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.005	35%	0.35	C	S	.	.			trans	-107.5	31.1	178.5	-60.4	179.7	0	0	0	111.7	L380 T397 F602 L617 M619 Y667 N673	L380-L669 CarbonylContact C-O 3.56Å; L380-L669 CarbonylContact O-C 3.5Å; L380-L669 VanDerWaalsContact O-O 3.09Å; T397-L669 HydrophobicContact CG2-CD2 4.45Å; F602-L669 HydrophobicContact CE2-CD1 4.28Å; L617-L669 HydrophobicContact CB-CD1 3.78Å; M619-L669 HydrophobicContact CB-CD1 4.22Å; M619-L669 HydrophobicContact CB-CD2 4.18Å; M619-L669 HydrophobicContact CB-CG 4.43Å; Y667-L669 PolarHBondContact O-N 2.95Å; L669-N673 WeakPolarHBondContact O-CB 3.01Å
670	G	74.8	Confident	80.8	Confident	12 Å²	12	68.5 Å²	68.5	12%	0.124	34%	0.338	C	S	.	.			trans	94.6	147.6	-179.5	0	0	0	0	0	114.4	L380 N668 D672 N673 S674	L380-G670 WeakPolarHBondContact O-CA 3.16Å; L380-G670 PolarHBondContact O-N 2.63Å; N668-G670 PolarHBondContact OD1-N 3.39Å; G670-D672 VanDerWaalsContact C-N 3.35Å; G670-D672 PolarHBondContact O-N 3.41Å; G670-N673 PolarHBondContact O-N 2.96Å; G670-N673 VanDerWaalsContact O-N 3.15Å; G670-S674 PolarHBondContact O-N 3.15Å; G670-S674 PolarHBondContact O-OG 3.16Å
671	Y	77.9	Confident	80.7	Confident	169 Å²	169	71.9 Å²	71.9	66%	0.663	36%	0.362	S	S	*	.	H	α-helix	trans	-57.6	-42.1	-174.9	-179.6	-102.5	0	0	0	113.6	N673 S674 L675	Y671-N673 VanDerWaalsContact C-N 3.33Å; Y671-N673 PolarHBondContact O-N 3.3Å; Y671-S674 WeakPolarHBondContact O-CB 3.44Å; Y671-S674 PolarHBondContact O-N 3.18Å; Y671-L675 HydrophobicContact CD1-CD1 3.89Å; Y671-L675 HydrophobicContact CD1-CG 4.39Å; Y671-L675 HydrophobicContact CE1-CD1 3.34Å; Y671-L675 HydrophobicContact CE1-CG 4Å; Y671-L675 PolarHBondContact O-N 3.42Å
672	D	77.7	Confident	80	Confident	109 Å²	109	68.7 Å²	68.7	58%	0.583	34%	0.344	S	S	*	.	H	α-helix	trans	-64.5	-38.8	179.4	-75	-16.4	0	0	0	112	G670 L675 K676	G670-D672 VanDerWaalsContact C-N 3.35Å; G670-D672 PolarHBondContact O-N 3.41Å; D672-L675 PolarHBondContact O-N 2.89Å; D672-K676 WeakPolarHBondContact O-CG 3.39Å; D672-K676 PolarHBondContact O-N 3.14Å; D672-K676 VanDerWaalsContact O-N 3.09Å
673	N	79.5	Confident	79.4	Confident	5 Å²	5	74 Å²	74	3%	0.027	36%	0.364	C	S	.	.	H	α-helix	trans	-67.4	-43.4	175.1	177.3	70.2	0	0	0	111.1	L380 L617 L669 G670 Y671 L675 K676 C677	L380-N673 HydrophobicContact CD2-CB 3.92Å; L617-N673 WeakPolarHBondContact CB-OD1 2.93Å; L617-N673 PolarHBondContact N-OD1 3.28Å; L617-N673 PolarHBondContact O-ND2 2.92Å; L669-N673 WeakPolarHBondContact O-CB 3.01Å; G670-N673 PolarHBondContact O-N 2.96Å; G670-N673 VanDerWaalsContact O-N 3.15Å; Y671-N673 VanDerWaalsContact C-N 3.33Å; Y671-N673 PolarHBondContact O-N 3.3Å; N673-L675 VanDerWaalsContact C-N 3.29Å; N673-L675 PolarHBondContact O-N 2.66Å; N673-K676 WeakPolarHBondContact O-CB 3.48Å; N673-K676 PolarHBondContact O-N 3.25Å; N673-K676 VanDerWaalsContact O-N 3.08Å; N673-C677 PolarHBondContact O-N 2.88Å; N673-C677 PolarHBondContact O-SG 2.83Å; N673-C677 VanDerWaalsContact O-SG 3.36Å
674	S	82.2	Confident	78.4	Confident	25 Å²	25	68.5 Å²	68.5	18%	0.175	34%	0.341	C	S	.	.	H	α-helix	trans	-57.5	-41.1	174.5	-54.5	0	0	0	0	112.4	N668 G670 Y671 C677 K678 W686	N668-S674 PolarHBondContact OD1-OG 3.22Å; G670-S674 PolarHBondContact O-N 3.15Å; G670-S674 PolarHBondContact O-OG 3.16Å; Y671-S674 WeakPolarHBondContact O-CB 3.44Å; Y671-S674 PolarHBondContact O-N 3.18Å; S674-C677 PolarHBondContact O-N 2.84Å; S674-K678 WeakPolarHBondContact O-CB 3.22Å; S674-K678 PolarHBondContact O-N 3.3Å; S674-W686 WeakPolarHBondContact OG-CH2 3.36Å
675	L	83.9	Confident	77.1	Confident	67 Å²	67	70.2 Å²	70.2	35%	0.351	35%	0.346	S	S	.	.	H	α-helix	trans	-63.3	-41.3	174.6	-75.3	178.1	0	0	0	112.4	Y671 D672 N673 K678 K679	Y671-L675 HydrophobicContact CD1-CD1 3.89Å; Y671-L675 HydrophobicContact CD1-CG 4.39Å; Y671-L675 HydrophobicContact CE1-CD1 3.34Å; Y671-L675 HydrophobicContact CE1-CG 4Å; Y671-L675 PolarHBondContact O-N 3.42Å; D672-L675 PolarHBondContact O-N 2.89Å; N673-L675 VanDerWaalsContact C-N 3.29Å; N673-L675 PolarHBondContact O-N 2.66Å; L675-K678 PolarHBondContact O-N 3.33Å; L675-K679 WeakPolarHBondContact O-CG 3.48Å; L675-K679 PolarHBondContact O-N 3.06Å
676	K	83	Confident	75.3	Confident	32 Å²	32	75.7 Å²	75.7	14%	0.139	36%	0.36	C	S	.	.	H	α-helix	trans	-64.1	-46.5	175.4	-69.5	174.1	-173.1	-179	0	111.3	Y399 I615 D672 N673 K678 K679 M680	Y399-K676 PolarHBondContact OH-NZ 2.81Å; I615-K676 WeakPolarHBondContact O-CB 3.32Å; I615-K676 WeakPolarHBondContact O-CD 3.47Å; D672-K676 WeakPolarHBondContact O-CG 3.39Å; D672-K676 PolarHBondContact O-N 3.14Å; D672-K676 VanDerWaalsContact O-N 3.09Å; N673-K676 WeakPolarHBondContact O-CB 3.48Å; N673-K676 PolarHBondContact O-N 3.25Å; N673-K676 VanDerWaalsContact O-N 3.08Å; K676-K678 VanDerWaalsContact C-N 3.33Å; K676-K678 PolarHBondContact O-N 3.38Å; K676-K679 WeakPolarHBondContact O-CB 3.43Å; K676-K679 PolarHBondContact O-N 2.95Å; K676-K679 VanDerWaalsContact O-N 3.15Å; K676-M680 WeakPolarHBondContact O-CG 3.47Å; K676-M680 PolarHBondContact O-N 3.33Å
677	C	84.4	Confident	75	Confident	6 Å²	6	78 Å²	78	4%	0.041	37%	0.367	C	S	.	.	H	α-helix	trans	-58.5	-43	176.3	-70.2	0	0	0	0	112.7	C616 L617 N673 S674 M680 N681 A682	C616-C677 VanDerWaalsContact CA-SG 3.54Å; C616-C677 HydrophobicContact CB-CB 3.94Å; C616-C677 WeakPolarHBondContact CB-SG 3.5Å; C616-C677 WeakPolarHBondContact SG-CA 3.3Å; C616-C677 WeakPolarHBondContact SG-CB 3.5Å; C616-C677 CovalentContact SG-SG 2.03Å; C616-C677 PolarHBondContact SG-SG 3.16Å; L617-C677 PolarHBondContact O-SG 3.12Å; L617-C677 VanDerWaalsContact O-SG 3.42Å; N673-C677 PolarHBondContact O-N 2.88Å; N673-C677 PolarHBondContact O-SG 2.83Å; N673-C677 VanDerWaalsContact O-SG 3.36Å; S674-C677 PolarHBondContact O-N 2.84Å; C677-M680 PolarHBondContact O-N 3.3Å; C677-N681 PolarHBondContact O-N 2.86Å; C677-N681 VanDerWaalsContact O-N 3.16Å; C677-A682 HydrophobicContact CB-CB 4.42Å; C677-A682 PolarHBondContact O-N 2.87Å
678	K	84.8	Confident	74.8	Confident	166 Å²	166	79.2 Å²	79.2	72%	0.722	38%	0.375	S	S	*	.	H	α-helix	trans	-62.8	-42.6	174.8	-171.8	174.4	-177.7	174.2	0	112.1	S674 L675 K676 M680 N681	S674-K678 WeakPolarHBondContact O-CB 3.22Å; S674-K678 PolarHBondContact O-N 3.3Å; L675-K678 PolarHBondContact O-N 3.33Å; K676-K678 VanDerWaalsContact C-N 3.33Å; K676-K678 PolarHBondContact O-N 3.38Å; K678-M680 VanDerWaalsContact C-N 3.27Å; K678-M680 PolarHBondContact O-N 2.93Å; K678-N681 PolarHBondContact O-N 3.34Å; K678-N681 PolarHBondContact O-OD1 2.99Å
679	K	83.6	Confident	74.7	Confident	161 Å²	161	80.1 Å²	80.1	70%	0.7	38%	0.377	S	S	*	.	H	α-helix	trans	-63.8	-32.8	175.2	-75	175.4	-179.1	177.3	0	112.6	L675 K676 N681	L675-K679 WeakPolarHBondContact O-CG 3.48Å; L675-K679 PolarHBondContact O-N 3.06Å; K676-K679 WeakPolarHBondContact O-CB 3.43Å; K676-K679 PolarHBondContact O-N 2.95Å; K676-K679 VanDerWaalsContact O-N 3.15Å; K679-N681 VanDerWaalsContact C-N 3.34Å
680	M	79.6	Confident	74.6	Confident	47 Å²	47	84.8 Å²	84.8	23%	0.232	40%	0.399	C	S	.	.	H	α-helix	trans	-82.5	-8	179.9	-70.3	-179.1	67.6	0	0	113.9	D605 N607 S614 C616 K676 C677 K678 A682	D605-M680 HydrophobicContact CB-CE 4.07Å; D605-M680 WeakPolarHBondContact O-CE 3.37Å; N607-M680 HydrophobicContact CB-CE 4Å; S614-M680 WeakPolarHBondContact O-CE 3.42Å; C616-M680 HydrophobicContact CB-CE 4.36Å; C616-M680 HydrophobicContact CB-SD 3.61Å; K676-M680 WeakPolarHBondContact O-CG 3.47Å; K676-M680 PolarHBondContact O-N 3.33Å; C677-M680 PolarHBondContact O-N 3.3Å; K678-M680 VanDerWaalsContact C-N 3.27Å; K678-M680 PolarHBondContact O-N 2.93Å; M680-A682 PolarHBondContact O-N 3.41Å
681	N	79.1	Confident	74.6	Confident	145 Å²	145	89.3 Å²	89.3	78%	0.775	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	40.5	-168.1	-66.5	-24.2	0	0	0	111.9	C677 K678 K679 K683	C677-N681 PolarHBondContact O-N 2.86Å; C677-N681 VanDerWaalsContact O-N 3.16Å; K678-N681 PolarHBondContact O-N 3.34Å; K678-N681 PolarHBondContact O-OD1 2.99Å; K679-N681 VanDerWaalsContact C-N 3.34Å; N681-K683 PolarHBondContact O-N 2.96Å
682	A	70.4	Confident	74.4	Confident	19 Å²	19	84 Å²	84	16%	0.157	40%	0.4	C	S	.	.			trans	-64.7	129.8	-178.1	0	0	0	0	0	110.4	C616 C677 M680 T684	C616-A682 HydrophobicContact CB-CB 4.23Å; C616-A682 WeakPolarHBondContact SG-CB 3.14Å; C677-A682 HydrophobicContact CB-CB 4.42Å; C677-A682 PolarHBondContact O-N 2.87Å; M680-A682 PolarHBondContact O-N 3.41Å; A682-T684 HydrophobicContact CB-CG2 4.06Å; A682-T684 PolarHBondContact O-N 3.45Å; A682-T684 PolarHBondContact O-OG1 3.19Å
683	K	65.4	Low	74.1	Confident	178 Å²	178	82.2 Å²	82.2	77%	0.774	39%	0.387	S	S	*	.			trans	-71.8	95.5	174.5	-69.9	-174	-179.8	-176.6	0	108.9	N681	N681-K683 PolarHBondContact O-N 2.96Å
684	T	59.9	Low	73.7	Confident	32 Å²	32	88.2 Å²	88.2	20%	0.196	42%	0.415	C	S	.	.			trans	-128.1	154.8	179.7	52.9	0	0	0	0	107.2	A618 A682 W686	A618-T684 HydrophobicContact CB-CG2 3.47Å; A618-T684 VanDerWaalsContact CB-CG2 3.47Å; A682-T684 HydrophobicContact CB-CG2 4.06Å; A682-T684 PolarHBondContact O-N 3.45Å; A682-T684 PolarHBondContact O-OG1 3.19Å; T684-W686 PolarHBondContact O-N 3.48Å; T684-W686 PolarHBondContact OG1-NE1 3.39Å
685	I	56.8	Low	73	Confident	86 Å²	86	93.4 Å²	93.4	44%	0.441	44%	0.435	S	S	.	.			trans	-74	20.8	-170.6	-52	178.9	0	0	0	112.3	N620 P664	N620-I685 HydrophobicContact CB-CD1 3.77Å; N620-I685 HydrophobicContact CB-CG1 4.3Å; P664-I685 HydrophobicContact CB-CG2 4.3Å
686	W	45.2	Very low	72	Confident	182 Å²	182	95.8 Å²	95.8	69%	0.689	44%	0.442	S	S	*	.			trans	-65.7	0	-171.9	-71.4	59.8	0	0	0	113.2	S666 S674 T684	S666-W686 PolarHBondContact OG-NE1 2.92Å; S674-W686 WeakPolarHBondContact OG-CH2 3.36Å; T684-W686 PolarHBondContact O-N 3.48Å; T684-W686 PolarHBondContact OG1-NE1 3.39Å

Retrieved 686 of 686 residues in 272.8 ms (Link to these results)

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