A0A077Z531_TRITR Loading...

Ubiquitin carboxyl-terminal hydrolase 39

AlphaFold DB , UniProt , Accession A0A077Z531, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 547 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	34.5	Very low	33.2	Very low	237 Å²	237	156.3 Å²	156.3	100%	1.167	84%	0.835	S	S	*	*				0	81	0	-68	-179.1	170.8	0	0	106.4
2	S	32.2	Very low	33.1	Very low	120 Å²	120	155.2 Å²	155.2	84%	0.839	82%	0.821	S	S	*	*				60.4	118.6	95.7	61.6	0	0	0	0	112
3	G	32.9	Very low	33.1	Very low	78 Å²	78	150.8 Å²	150.8	80%	0.804	80%	0.798	S	S	*	*			cis	175.9	157.1	8	0	0	0	0	0	108.4
4	E	29.6	Very low	33.2	Very low	195 Å²	195	144.1 Å²	144.1	91%	0.911	77%	0.77	S	S	*	*			trans	-60.8	150.1	-178	-62.2	159.6	137.2	0	0	113.5
5	R	35.2	Very low	33.3	Very low	254 Å²	254	137.7 Å²	137.7	96%	0.958	73%	0.733	S	S	*	*			trans	-151.6	123.7	156	-89.1	-170.3	-124	-157.6	-0.5	110.8
6	G	33	Very low	33.2	Very low	71 Å²	71	132.8 Å²	132.8	73%	0.732	72%	0.718	S	S	*	*			trans	113.6	72.8	140.7	0	0	0	0	0	117.8
7	Y	30.8	Very low	33.4	Very low	218 Å²	218	128.2 Å²	128.2	86%	0.855	69%	0.692	S	S	*	*			trans	-136.1	93.2	153.9	-85.3	-82.8	0	0	0	109.1
8	D	29.6	Very low	33.6	Very low	157 Å²	157	125.4 Å²	125.4	84%	0.84	68%	0.68	S	S	*	*			trans	-153.3	101.7	166.7	-84.7	-41.9	0	0	0	108.1
9	N	33.8	Very low	33.6	Very low	149 Å²	149	122.3 Å²	122.3	80%	0.797	67%	0.668	S	S	*	*			trans	175.7	32.8	158.2	-93.2	-20	0	0	0	114.6
10	V	38.2	Very low	33.6	Very low	112 Å²	112	119.3 Å²	119.3	68%	0.679	66%	0.657	S	S	*	*			trans	-100.1	8	-170.9	-174.9	0	0	0	0	114.4	H435	V10-H435 PolarHBondContact O-CE1 3.33Å; V10-H435 PolarHBondContact O-NE2 2.87Å; V10-H435 VanDerWaalsContact O-NE2 3.17Å
11	Q	35.5	Very low	33.7	Very low	128 Å²	128	116.6 Å²	116.6	60%	0.598	65%	0.651	S	S	*	*	S	Bend	trans	-110.2	-12.8	-169.1	-106	159	-13	0	0	117.4
12	Q	31.2	Very low	34.1	Very low	143 Å²	143	111.5 Å²	111.5	67%	0.668	62%	0.622	S	S	*	*	S	Bend	trans	-80.9	-26.2	-170.8	-79.9	178.3	-15.3	0	0	115.7
13	D	33	Very low	34.5	Very low	99 Å²	99	111.8 Å²	111.8	53%	0.529	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.8	-19.4	-171.4	-68.1	-36.5	0	0	0	114.6	E15 H435	D13-E15 PolarHBondContact O-N 3.05Å; D13-H435 IonicContact OD2-ND1 2.59Å
14	S	34.7	Very low	34.7	Very low	57 Å²	57	110.4 Å²	110.4	40%	0.399	59%	0.589	S	S	.	*	H	α-helix	trans	-67.2	-21.4	175.4	72.8	0	0	0	0	113.5
15	E	35.3	Very low	35.6	Very low	48 Å²	48	107.4 Å²	107.4	22%	0.224	57%	0.569	C	S	.	*	H	α-helix	trans	-78.4	-29.1	-177.2	-60.7	-166.9	140.5	0	0	112.9	D13 I17 V18 S19 Y407	D13-E15 PolarHBondContact O-N 3.05Å; E15-I17 VanDerWaalsContact C-N 3.31Å; E15-I17 PolarHBondContact O-N 2.64Å; E15-V18 PolarHBondContact O-N 3.31Å; E15-S19 VanDerWaalsContact O-CB 3.3Å; E15-S19 WeakPolarHBondContact O-CB 3.43Å; E15-S19 PolarHBondContact O-N 3.13Å; E15-Y407 PolarHBondContact OE1-N 3.06Å; E15-Y407 VanDerWaalsContact OE1-N 3.12Å; E15-Y407 VanDerWaalsContact OE2-CA 3.27Å; E15-Y407 WeakPolarHBondContact OE2-CA 3.37Å; E15-Y407 WeakPolarHBondContact OE2-CB 3.32Å
16	A	31.5	Very low	36	Very low	59 Å²	59	102 Å²	102	49%	0.488	55%	0.55	S	S	.	.	H	α-helix	trans	-63.1	-36.1	-178.6	0	0	0	0	0	112.3	S19 S20	A16-S19 PolarHBondContact O-OG 3.39Å; A16-S20 PolarHBondContact O-N 3.32Å
17	I	37.2	Very low	36.6	Very low	54 Å²	54	103.4 Å²	103.4	28%	0.277	54%	0.537	S	S	.	.	H	α-helix	trans	-83.5	-35.6	-176.9	-61.4	126.9	0	0	0	112.4	E15 S19 S20 A21 K433	E15-I17 VanDerWaalsContact C-N 3.31Å; E15-I17 PolarHBondContact O-N 2.64Å; I17-S19 VanDerWaalsContact C-N 3.25Å; I17-S19 PolarHBondContact O-N 3.26Å; I17-S20 WeakPolarHBondContact CA-OG 3.45Å; I17-S20 PolarHBondContact O-N 2.77Å; I17-S20 PolarHBondContact O-OG 3Å; I17-A21 PolarHBondContact O-N 3.34Å; I17-K433 HydrophobicContact CD1-CB 4.25Å; I17-K433 HydrophobicContact CD1-CD 3.36Å; I17-K433 HydrophobicContact CD1-CG 3.72Å; I17-K433 HydrophobicContact CG1-CD 3.74Å; I17-K433 HydrophobicContact CG2-CD 4.23Å
18	V	37.2	Very low	37.3	Very low	78 Å²	78	96.2 Å²	96.2	47%	0.473	52%	0.516	S	S	.	.	H	α-helix	trans	-67.6	-33.1	171.4	179.4	0	0	0	0	110.2	E15 K22	E15-V18 PolarHBondContact O-N 3.31Å; V18-K22 HydrophobicContact CG1-CD 4.4Å; V18-K22 WeakPolarHBondContact O-CB 3.37Å; V18-K22 WeakPolarHBondContact O-CG 3.45Å; V18-K22 PolarHBondContact O-N 3.5Å; V18-K22 VanDerWaalsContact O-N 3.16Å
19	S	33.4	Very low	38.1	Very low	66 Å²	66	93.5 Å²	93.5	46%	0.462	50%	0.498	S	S	.	.	H	α-helix	trans	-66.8	-41.7	170.6	92.4	0	0	0	0	111.6	E15 A16 I17 K22 K23	E15-S19 VanDerWaalsContact O-CB 3.3Å; E15-S19 WeakPolarHBondContact O-CB 3.43Å; E15-S19 PolarHBondContact O-N 3.13Å; A16-S19 PolarHBondContact O-OG 3.39Å; I17-S19 VanDerWaalsContact C-N 3.25Å; I17-S19 PolarHBondContact O-N 3.26Å; S19-K22 PolarHBondContact O-N 3.23Å; S19-K23 WeakPolarHBondContact O-CB 3.24Å; S19-K23 PolarHBondContact O-N 3.03Å
20	S	33.2	Very low	38.9	Very low	62 Å²	62	92.4 Å²	92.4	43%	0.434	49%	0.486	S	S	.	.	H	α-helix	trans	-69.4	-38.6	-177.9	71.4	0	0	0	0	112.5	A16 I17 K23 A24	A16-S20 PolarHBondContact O-N 3.32Å; I17-S20 WeakPolarHBondContact CA-OG 3.45Å; I17-S20 PolarHBondContact O-N 2.77Å; I17-S20 PolarHBondContact O-OG 3Å; S20-K23 PolarHBondContact O-N 2.97Å; S20-A24 WeakPolarHBondContact O-CB 3.11Å; S20-A24 PolarHBondContact O-N 3.14Å
21	A	35.9	Very low	39.3	Very low	64 Å²	64	92.9 Å²	92.9	53%	0.529	48%	0.481	S	S	.	.	H	α-helix	trans	-69.6	-38.9	175.5	0	0	0	0	0	112.2	I17 K23 R25	I17-A21 PolarHBondContact O-N 3.34Å; A21-K23 VanDerWaalsContact C-N 3.35Å; A21-R25 WeakPolarHBondContact O-CB 3.39Å; A21-R25 PolarHBondContact O-N 2.81Å
22	K	42.6	Very low	39.8	Very low	130 Å²	130	89.4 Å²	89.4	57%	0.565	47%	0.466	S	S	*	.	H	α-helix	trans	-66.3	-37.5	171.2	-77.3	179.1	-179	173.7	0	111.9	V18 S19 R25 Y26	V18-K22 HydrophobicContact CG1-CD 4.4Å; V18-K22 WeakPolarHBondContact O-CB 3.37Å; V18-K22 WeakPolarHBondContact O-CG 3.45Å; V18-K22 PolarHBondContact O-N 3.5Å; V18-K22 VanDerWaalsContact O-N 3.16Å; S19-K22 PolarHBondContact O-N 3.23Å; K22-R25 PolarHBondContact O-N 3.27Å; K22-Y26 VanDerWaalsContact O-CB 3.26Å; K22-Y26 WeakPolarHBondContact O-CB 3.32Å; K22-Y26 PolarHBondContact O-N 3.43Å
23	K	40.1	Very low	40.4	Very low	126 Å²	126	87.9 Å²	87.9	55%	0.548	46%	0.462	S	S	.	.	H	α-helix	trans	-69.3	-41.2	178.8	-162.6	177.6	-176.7	-174.9	0	111.1	S19 S20 A21 Y26 E27	S19-K23 WeakPolarHBondContact O-CB 3.24Å; S19-K23 PolarHBondContact O-N 3.03Å; S20-K23 PolarHBondContact O-N 2.97Å; A21-K23 VanDerWaalsContact C-N 3.35Å; K23-Y26 PolarHBondContact O-N 3Å; K23-E27 WeakPolarHBondContact CE-OE1 3.19Å; K23-E27 WeakPolarHBondContact CG-OE1 3.44Å; K23-E27 VanDerWaalsContact O-CB 3.28Å; K23-E27 WeakPolarHBondContact O-CB 3.47Å; K23-E27 VanDerWaalsContact O-CG 3.27Å; K23-E27 WeakPolarHBondContact O-CG 3.26Å; K23-E27 PolarHBondContact O-N 3.19Å
24	A	38.4	Very low	41	Very low	48 Å²	48	85.7 Å²	85.7	40%	0.397	46%	0.458	S	S	.	.	H	α-helix	trans	-63	-43.5	171.7	0	0	0	0	0	111.7	S20 Y26 E27 V28	S20-A24 WeakPolarHBondContact O-CB 3.11Å; S20-A24 PolarHBondContact O-N 3.14Å; A24-Y26 VanDerWaalsContact C-N 3.35Å; A24-Y26 PolarHBondContact O-N 3.47Å; A24-E27 PolarHBondContact O-N 3.45Å; A24-V28 WeakPolarHBondContact O-CB 3.42Å; A24-V28 VanDerWaalsContact O-CG2 3.23Å; A24-V28 WeakPolarHBondContact O-CG2 3.23Å; A24-V28 PolarHBondContact O-N 2.84Å
25	R	47.2	Very low	41.4	Very low	133 Å²	133	89 Å²	89	50%	0.502	47%	0.467	S	S	.	.	H	α-helix	trans	-62.9	-41	175.5	-164.5	173.4	179.4	158.2	2.4	112.1	A21 K22 E29	A21-R25 WeakPolarHBondContact O-CB 3.39Å; A21-R25 PolarHBondContact O-N 2.81Å; K22-R25 PolarHBondContact O-N 3.27Å; R25-E29 WeakPolarHBondContact O-CB 3.27Å; R25-E29 WeakPolarHBondContact O-CG 3.41Å; R25-E29 PolarHBondContact O-N 3.4Å
26	Y	44.5	Very low	41.8	Very low	141 Å²	141	90.2 Å²	90.2	55%	0.553	48%	0.477	S	S	*	.	H	α-helix	trans	-69.8	-38.9	175.9	-176.6	-101	0	0	0	112.6	K22 K23 A24 E29 K30	K22-Y26 VanDerWaalsContact O-CB 3.26Å; K22-Y26 WeakPolarHBondContact O-CB 3.32Å; K22-Y26 PolarHBondContact O-N 3.43Å; K23-Y26 PolarHBondContact O-N 3Å; A24-Y26 VanDerWaalsContact C-N 3.35Å; A24-Y26 PolarHBondContact O-N 3.47Å; Y26-E29 PolarHBondContact O-N 2.94Å; Y26-K30 HydrophobicContact CE1-CD 3.95Å; Y26-K30 WeakPolarHBondContact O-CB 3.38Å; Y26-K30 PolarHBondContact O-N 3.44Å
27	E	45	Very low	42.2	Very low	99 Å²	99	90.5 Å²	90.5	46%	0.463	48%	0.476	S	S	.	.	H	α-helix	trans	-68.6	-39.5	177.5	-78.6	167.3	-177.3	0	0	111.4	K23 A24 K30 Q31	K23-E27 WeakPolarHBondContact CE-OE1 3.19Å; K23-E27 WeakPolarHBondContact CG-OE1 3.44Å; K23-E27 VanDerWaalsContact O-CB 3.28Å; K23-E27 WeakPolarHBondContact O-CB 3.47Å; K23-E27 VanDerWaalsContact O-CG 3.27Å; K23-E27 WeakPolarHBondContact O-CG 3.26Å; K23-E27 PolarHBondContact O-N 3.19Å; A24-E27 PolarHBondContact O-N 3.45Å; E27-K30 PolarHBondContact O-N 2.59Å; E27-Q31 WeakPolarHBondContact O-CB 3.48Å; E27-Q31 PolarHBondContact O-N 2.88Å
28	V	45	Very low	42.3	Very low	67 Å²	67	90.5 Å²	90.5	41%	0.406	48%	0.481	S	S	.	.	H	α-helix	trans	-66	-46.8	172.9	172.6	0	0	0	0	110.9	A24 K30 Q31 I32	A24-V28 WeakPolarHBondContact O-CB 3.42Å; A24-V28 VanDerWaalsContact O-CG2 3.23Å; A24-V28 WeakPolarHBondContact O-CG2 3.23Å; A24-V28 PolarHBondContact O-N 2.84Å; V28-K30 VanDerWaalsContact C-N 3.3Å; V28-K30 PolarHBondContact O-N 3.03Å; V28-Q31 PolarHBondContact O-N 3.12Å; V28-I32 HydrophobicContact CG1-CD1 3.67Å; V28-I32 WeakPolarHBondContact O-CB 3.45Å; V28-I32 WeakPolarHBondContact O-CD1 3.49Å; V28-I32 WeakPolarHBondContact O-CG1 3.4Å; V28-I32 PolarHBondContact O-N 3.17Å
29	E	46.8	Very low	42.5	Very low	100 Å²	100	91.1 Å²	91.1	47%	0.467	48%	0.48	S	S	.	.	H	α-helix	trans	-60.8	-39.1	174.6	-79.5	176.5	-174.9	0	0	111.8	R25 Y26 I32 L33	R25-E29 WeakPolarHBondContact O-CB 3.27Å; R25-E29 WeakPolarHBondContact O-CG 3.41Å; R25-E29 PolarHBondContact O-N 3.4Å; Y26-E29 PolarHBondContact O-N 2.94Å; E29-I32 PolarHBondContact O-N 3.19Å; E29-L33 VanDerWaalsContact O-CB 3.3Å; E29-L33 WeakPolarHBondContact O-CB 3.42Å; E29-L33 WeakPolarHBondContact O-CD1 3.42Å; E29-L33 PolarHBondContact O-N 2.96Å
30	K	52	Low	42.6	Very low	127 Å²	127	91.9 Å²	91.9	55%	0.552	49%	0.486	S	S	*	.	H	α-helix	trans	-72	-37.5	179.6	-165.4	177.2	-177.3	-177.8	0	112.7	Y26 E27 V28 L33 A34	Y26-K30 HydrophobicContact CE1-CD 3.95Å; Y26-K30 WeakPolarHBondContact O-CB 3.38Å; Y26-K30 PolarHBondContact O-N 3.44Å; E27-K30 PolarHBondContact O-N 2.59Å; V28-K30 VanDerWaalsContact C-N 3.3Å; V28-K30 PolarHBondContact O-N 3.03Å; K30-L33 PolarHBondContact O-N 3.43Å; K30-A34 VanDerWaalsContact O-CB 3.3Å; K30-A34 WeakPolarHBondContact O-CB 3.3Å; K30-A34 PolarHBondContact O-N 3.04Å
31	Q	45.4	Very low	42.9	Very low	122 Å²	122	91.9 Å²	91.9	57%	0.57	49%	0.49	S	S	*	.	H	α-helix	trans	-64.6	-43.1	172.3	-85.2	178.6	-17.7	0	0	111.1	E27 V28 A34 E35	E27-Q31 WeakPolarHBondContact O-CB 3.48Å; E27-Q31 PolarHBondContact O-N 2.88Å; V28-Q31 PolarHBondContact O-N 3.12Å; Q31-A34 PolarHBondContact O-N 2.76Å; Q31-E35 WeakPolarHBondContact O-CG 3.45Å; Q31-E35 PolarHBondContact O-N 2.77Å
32	I	45.4	Very low	43	Very low	55 Å²	55	94.8 Å²	94.8	28%	0.282	50%	0.496	S	S	.	.	H	α-helix	trans	-67.5	-37.8	177.6	-66	166.8	0	0	0	111.4	V28 E29 T36 L306	V28-I32 HydrophobicContact CG1-CD1 3.67Å; V28-I32 WeakPolarHBondContact O-CB 3.45Å; V28-I32 WeakPolarHBondContact O-CD1 3.49Å; V28-I32 WeakPolarHBondContact O-CG1 3.4Å; V28-I32 PolarHBondContact O-N 3.17Å; E29-I32 PolarHBondContact O-N 3.19Å; I32-T36 WeakPolarHBondContact O-CG2 3.39Å; I32-T36 PolarHBondContact O-N 2.87Å; I32-T36 PolarHBondContact O-OG1 2.68Å; I32-L306 HydrophobicContact CD1-CD1 3.9Å; I32-L306 HydrophobicContact CG2-CD1 3.75Å; I32-L306 HydrophobicContact CG2-CD2 4.4Å
33	L	44.8	Very low	42.9	Very low	110 Å²	110	95.7 Å²	95.7	58%	0.576	51%	0.507	S	S	*	.	H	α-helix	trans	-67.8	-35.5	173	-91.1	148.4	0	0	0	112.5	E29 K30 T36 S37	E29-L33 VanDerWaalsContact O-CB 3.3Å; E29-L33 WeakPolarHBondContact O-CB 3.42Å; E29-L33 WeakPolarHBondContact O-CD1 3.42Å; E29-L33 PolarHBondContact O-N 2.96Å; K30-L33 PolarHBondContact O-N 3.43Å; L33-T36 VanDerWaalsContact CA-OG1 3.31Å; L33-T36 WeakPolarHBondContact CA-OG1 3.46Å; L33-T36 PolarHBondContact O-OG1 3.4Å; L33-S37 WeakPolarHBondContact O-CB 3.49Å; L33-S37 PolarHBondContact O-N 2.8Å; L33-S37 PolarHBondContact O-OG 2.94Å
34	A	45.7	Very low	42.8	Very low	54 Å²	54	93.5 Å²	93.5	45%	0.446	51%	0.513	S	S	.	.	H	α-helix	trans	-66.7	-42.6	174.9	0	0	0	0	0	111.4	K30 Q31 S37 S38	K30-A34 VanDerWaalsContact O-CB 3.3Å; K30-A34 WeakPolarHBondContact O-CB 3.3Å; K30-A34 PolarHBondContact O-N 3.04Å; Q31-A34 PolarHBondContact O-N 2.76Å; A34-S37 WeakPolarHBondContact CA-OG 3.27Å; A34-S37 PolarHBondContact O-N 3.06Å; A34-S37 PolarHBondContact O-OG 2.78Å; A34-S37 VanDerWaalsContact O-OG 3.13Å; A34-S38 PolarHBondContact O-N 2.95Å; A34-S38 PolarHBondContact O-OG 2.88Å
35	E	43.3	Very low	42.4	Very low	125 Å²	125	98.6 Å²	98.6	58%	0.584	53%	0.533	S	S	*	.	H	α-helix	trans	-68.6	-35.3	177.1	-71	175.3	178.8	0	0	112.4	Q31 S38 I39	Q31-E35 WeakPolarHBondContact O-CG 3.45Å; Q31-E35 PolarHBondContact O-N 2.77Å; E35-S38 PolarHBondContact O-OG 3.5Å; E35-I39 WeakPolarHBondContact O-CD1 3.4Å; E35-I39 WeakPolarHBondContact O-CG1 3.23Å; E35-I39 PolarHBondContact O-N 3.33Å
36	T	42.5	Very low	41.7	Very low	74 Å²	74	97.8 Å²	97.8	45%	0.454	55%	0.548	S	S	.	.	H	α-helix	trans	-75.8	-28.1	176.4	44.4	0	0	0	0	113.5	I32 L33 S40	I32-T36 WeakPolarHBondContact O-CG2 3.39Å; I32-T36 PolarHBondContact O-N 2.87Å; I32-T36 PolarHBondContact O-OG1 2.68Å; L33-T36 VanDerWaalsContact CA-OG1 3.31Å; L33-T36 WeakPolarHBondContact CA-OG1 3.46Å; L33-T36 PolarHBondContact O-OG1 3.4Å; T36-S40 PolarHBondContact O-N 3.3Å; T36-S40 PolarHBondContact O-OG 2.75Å
37	S	41	Very low	41	Very low	66 Å²	66	101.2 Å²	101.2	46%	0.462	57%	0.566	S	S	.	*	H	α-helix	trans	-80.1	-32.6	174.9	49.1	0	0	0	0	113.3	L33 A34 S40 A41	L33-S37 WeakPolarHBondContact O-CB 3.49Å; L33-S37 PolarHBondContact O-N 2.8Å; L33-S37 PolarHBondContact O-OG 2.94Å; A34-S37 WeakPolarHBondContact CA-OG 3.27Å; A34-S37 PolarHBondContact O-N 3.06Å; A34-S37 PolarHBondContact O-OG 2.78Å; A34-S37 VanDerWaalsContact O-OG 3.13Å; S37-S40 WeakPolarHBondContact CA-OG 3.39Å; S37-S40 PolarHBondContact O-N 3.28Å; S37-S40 PolarHBondContact O-OG 2.71Å; S37-A41 WeakPolarHBondContact O-CB 3.38Å; S37-A41 PolarHBondContact O-N 2.93Å
38	S	39.2	Very low	40.4	Very low	54 Å²	54	100.9 Å²	100.9	38%	0.378	58%	0.58	S	S	.	*	H	α-helix	trans	-65.6	-38.8	171.2	59.2	0	0	0	0	111.9	A34 E35 S40 A41 D42	A34-S38 PolarHBondContact O-N 2.95Å; A34-S38 PolarHBondContact O-OG 2.88Å; E35-S38 PolarHBondContact O-OG 3.5Å; S38-S40 PolarHBondContact O-N 2.92Å; S38-A41 PolarHBondContact O-N 2.73Å; S38-D42 PolarHBondContact O-N 3.45Å; S38-D42 VanDerWaalsContact O-N 3.08Å
39	I	40.9	Very low	39.7	Very low	90 Å²	90	102.8 Å²	102.8	46%	0.462	60%	0.596	S	S	.	*	H	α-helix	trans	-66.4	-25.2	177.2	-65.6	165.1	0	0	0	112.4	E35 N43 P239	E35-I39 WeakPolarHBondContact O-CD1 3.4Å; E35-I39 WeakPolarHBondContact O-CG1 3.23Å; E35-I39 PolarHBondContact O-N 3.33Å; I39-N43 PolarHBondContact O-ND2 2.85Å; I39-P239 HydrophobicContact CD1-CG 4.42Å
40	S	36.5	Very low	38.9	Very low	83 Å²	83	104 Å²	104	58%	0.58	61%	0.611	S	S	*	*	H	α-helix	trans	-93.5	-21	177.4	36.1	0	0	0	0	114	T36 S37 S38	T36-S40 PolarHBondContact O-N 3.3Å; T36-S40 PolarHBondContact O-OG 2.75Å; S37-S40 WeakPolarHBondContact CA-OG 3.39Å; S37-S40 PolarHBondContact O-N 3.28Å; S37-S40 PolarHBondContact O-OG 2.71Å; S38-S40 PolarHBondContact O-N 2.92Å
41	A	38.6	Very low	37.8	Very low	62 Å²	62	103.3 Å²	103.3	51%	0.512	62%	0.622	S	S	.	*	H	α-helix	trans	-83.1	-34.3	174.1	0	0	0	0	0	113.2	S37 S38 N43 A44	S37-A41 WeakPolarHBondContact O-CB 3.38Å; S37-A41 PolarHBondContact O-N 2.93Å; S38-A41 PolarHBondContact O-N 2.73Å; A41-N43 PolarHBondContact O-N 2.94Å; A41-A44 PolarHBondContact O-N 3.14Å
42	D	38	Very low	37.2	Very low	124 Å²	124	103.6 Å²	103.6	66%	0.663	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-73.2	-15.5	-178.3	-71.8	-23.5	0	0	0	113.5	S38 A44	S38-D42 PolarHBondContact O-N 3.45Å; S38-D42 VanDerWaalsContact O-N 3.08Å; D42-A44 VanDerWaalsContact C-N 3.31Å; D42-A44 PolarHBondContact O-N 3.47Å
43	N	40.4	Very low	36.3	Very low	149 Å²	149	106.4 Å²	106.4	80%	0.797	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-83.2	1.5	175.4	-85.5	-37.2	0	0	0	114.6	I39 A41	I39-N43 PolarHBondContact O-ND2 2.85Å; A41-N43 PolarHBondContact O-N 2.94Å
44	A	37.2	Very low	35.8	Very low	80 Å²	80	109.2 Å²	109.2	66%	0.661	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-110	-2.8	-177.6	0	0	0	0	0	115.1	A41 D42	A41-A44 PolarHBondContact O-N 3.14Å; D42-A44 VanDerWaalsContact C-N 3.31Å; D42-A44 PolarHBondContact O-N 3.47Å
45	N	31.2	Very low	35	Very low	155 Å²	155	113.6 Å²	113.6	83%	0.829	68%	0.68	S	S	*	*	S	Bend	trans	-150.9	70.6	-172.8	-122.7	6.3	0	0	0	114.2
46	S	32.3	Very low	34.3	Very low	116 Å²	116	113.8 Å²	113.8	81%	0.811	69%	0.685	S	S	*	*			trans	-158.1	87.6	152.4	54.2	0	0	0	0	111.9
47	K	30.2	Very low	33.8	Very low	214 Å²	214	117.3 Å²	117.3	93%	0.93	70%	0.7	S	S	*	*			trans	-99.6	131.4	151.2	-84.4	-178.1	176.4	176.8	0	107.1
48	A	32.7	Very low	33.3	Very low	92 Å²	92	120.7 Å²	120.7	76%	0.76	71%	0.712	S	S	*	*			trans	116.3	116.6	164.3	0	0	0	0	0	115.1
49	S	29.5	Very low	32.8	Very low	107 Å²	107	125.5 Å²	125.5	75%	0.748	73%	0.734	S	S	*	*			trans	47.7	118	148.4	55.3	0	0	0	0	117.3
50	T	30.6	Very low	32.4	Very low	125 Å²	125	127.8 Å²	127.8	77%	0.767	75%	0.745	S	S	*	*				-171.9	144.2	65.4	-44.3	0	0	0	0	108
51	S	29.2	Very low	32.2	Very low	113 Å²	113	129.6 Å²	129.6	79%	0.79	75%	0.749	S	S	*	*			trans	-48.6	126.8	-176.8	49.3	0	0	0	0	115.9
52	V	31	Very low	32	Very low	127 Å²	127	134.4 Å²	134.4	77%	0.77	77%	0.766	S	S	*	*			trans	-127.2	131.1	154	-179	0	0	0	0	106.3	Q54	V52-Q54 PolarHBondContact O-N 3.4Å
53	P	28.4	Very low	31.9	Very low	114 Å²	114	136.7 Å²	136.7	74%	0.74	77%	0.772	S	S	*	*			trans	-64.6	128.8	-178.3	-12.3	26.8	0	0	0	109.9	D55	P53-D55 PolarHBondContact O-N 3.47Å
54	Q	32.4	Very low	31.4	Very low	170 Å²	170	135.4 Å²	135.4	79%	0.794	77%	0.77	S	S	*	*			trans	-66.3	112.7	159.8	-83.1	172	-47.8	0	0	107.4	V52 N56	V52-Q54 PolarHBondContact O-N 3.4Å; Q54-N56 PolarHBondContact O-N 3.36Å
55	D	29.5	Very low	31	Very low	146 Å²	146	137.1 Å²	137.1	78%	0.781	78%	0.776	S	S	*	*			trans	-64.5	87.6	158.8	-81.4	-26.8	0	0	0	107.9	P53 L57	P53-D55 PolarHBondContact O-N 3.47Å; D55-L57 PolarHBondContact O-N 2.85Å
56	N	28.5	Very low	30.8	Very low	129 Å²	129	136.3 Å²	136.3	69%	0.69	77%	0.771	S	S	*	*			trans	-64.8	84.9	151.8	-76.4	-27.8	0	0	0	106.8	Q54 L58	Q54-N56 PolarHBondContact O-N 3.36Å; N56-L58 PolarHBondContact O-N 2.77Å
57	L	32.4	Very low	30.5	Very low	148 Å²	148	136.9 Å²	136.9	78%	0.775	78%	0.776	S	S	*	*			trans	-70.6	78.3	152.3	-91	126.8	0	0	0	106.7	D55	D55-L57 PolarHBondContact O-N 2.85Å
58	L	31.7	Very low	30.5	Very low	136 Å²	136	131.2 Å²	131.2	71%	0.712	76%	0.763	S	S	*	*			trans	-46.6	134.4	145.5	-74.4	157.8	0	0	0	106.6	N56 I60	N56-L58 PolarHBondContact O-N 2.77Å; L58-I60 PolarHBondContact O-N 2.92Å
59	D	28.7	Very low	30.4	Very low	156 Å²	156	134.6 Å²	134.6	83%	0.834	77%	0.768	S	S	*	*			trans	-48.3	97.1	164.4	-70.8	-51.7	0	0	0	107.6	D61	D59-D61 PolarHBondContact O-N 2.94Å
60	I	31.8	Very low	30.4	Very low	137 Å²	137	134.8 Å²	134.8	70%	0.703	78%	0.776	S	S	*	*			trans	-74.9	96	165.6	-64.8	174.6	0	0	0	102.7	L58 D62	L58-I60 PolarHBondContact O-N 2.92Å; I60-D62 PolarHBondContact O-N 2.73Å
61	D	31.8	Very low	30.6	Very low	122 Å²	122	131.6 Å²	131.6	65%	0.652	77%	0.768	S	S	*	*			trans	-41.4	123.4	156.9	-71.4	-43.7	0	0	0	107.4	D59 E63	D59-D61 PolarHBondContact O-N 2.94Å; D61-E63 HydrophobicContact CB-CG 4.41Å; D61-E63 PolarHBondContact O-N 3.01Å
62	D	35.4	Very low	31.2	Very low	163 Å²	163	133.6 Å²	133.6	87%	0.872	77%	0.765	S	S	*	*	S	Bend	trans	-70.9	49.8	179.3	-143.3	0.4	0	0	0	109.8	I60	I60-D62 PolarHBondContact O-N 2.73Å
63	E	35	Very low	32.3	Very low	172 Å²	172	133.7 Å²	133.7	80%	0.804	76%	0.757	S	S	*	*			trans	-101.1	47.8	174.6	-70.5	-156.8	165.6	0	0	110.4	D61	D61-E63 HydrophobicContact CB-CG 4.41Å; D61-E63 PolarHBondContact O-N 3.01Å
64	T	30.7	Very low	34.1	Very low	121 Å²	121	135.1 Å²	135.1	74%	0.742	75%	0.751	S	S	*	*			trans	-149.7	69.3	167.6	43.4	0	0	0	0	113.3
65	C	27.7	Very low	35.9	Very low	116 Å²	116	129.7 Å²	129.7	78%	0.784	74%	0.735	S	S	*	*	S	Bend	trans	-177	72.8	151.3	179.5	0	0	0	0	111.4
66	D	26.4	Very low	38	Very low	138 Å²	138	123.9 Å²	123.9	74%	0.738	71%	0.706	S	S	*	*			trans	164.5	89	139.6	-95.9	-13.3	0	0	0	108.6	S68	D66-S68 PolarHBondContact O-N 2.83Å
67	S	27.9	Very low	40.3	Very low	129 Å²	129	127.9 Å²	127.9	90%	0.902	71%	0.712	S	S	*	*	S	Bend	trans	-71.2	66.3	170.5	47.3	0	0	0	0	110.7
68	S	30.1	Very low	42.8	Very low	94 Å²	94	125.4 Å²	125.4	66%	0.657	71%	0.707	S	S	*	*	S	Bend	trans	-173.7	53	166.3	54.3	0	0	0	0	113.3	D66	D66-S68 PolarHBondContact O-N 2.83Å
69	N	29.2	Very low	45.5	Very low	164 Å²	164	119.4 Å²	119.4	88%	0.877	68%	0.676	S	S	*	*			trans	169.4	65.8	151.3	-96.5	-18.9	0	0	0	110.7	G71	N69-G71 PolarHBondContact O-N 3.41Å
70	A	29.6	Very low	48.4	Very low	111 Å²	111	116.1 Å²	116.1	92%	0.917	66%	0.663	S	S	*	*			trans	-78.4	73.6	166.2	0	0	0	0	0	109.1	E72	A70-E72 PolarHBondContact O-N 3.25Å
71	G	34.3	Very low	51.3	Low	57 Å²	57	112.4 Å²	112.4	59%	0.588	64%	0.641	S	S	*	*			trans	-70	121	167	0	0	0	0	0	108.7	N69 H73	N69-G71 PolarHBondContact O-N 3.41Å; G71-H73 PolarHBondContact O-N 3.16Å; G71-H73 VanDerWaalsContact O-N 3.14Å
72	E	41.8	Very low	54.1	Low	155 Å²	155	108.3 Å²	108.3	72%	0.724	62%	0.619	S	S	*	*			trans	-35.9	119.7	171.8	-66.6	172.7	147.8	0	0	110.7	A70 K74	A70-E72 PolarHBondContact O-N 3.25Å; E72-K74 HydrophobicContact CB-CG 4.3Å; E72-K74 PolarHBondContact O-N 3.48Å; E72-K74 WeakPolarHBondContact OE2-CE 3.48Å; E72-K74 IonicContact OE2-NZ 3.77Å
73	H	55.4	Low	56.8	Low	130 Å²	130	107.2 Å²	107.2	60%	0.602	61%	0.613	S	S	*	*			trans	-63.6	81.9	172.4	-76.6	-69.9	0	0	0	109.5	G71 A75 N152	G71-H73 PolarHBondContact O-N 3.16Å; G71-H73 VanDerWaalsContact O-N 3.14Å; H73-A75 PolarHBondContact O-N 2.81Å; H73-N152 PolarHBondContact ND1-O 2.89Å
74	K	64.9	Low	59.6	Low	143 Å²	143	101.1 Å²	101.1	62%	0.622	59%	0.589	S	S	*	*			trans	-71.7	112.4	179.7	-75.8	176.8	-179.2	174.4	0	108.7	E72 S76 Y153	E72-K74 HydrophobicContact CB-CG 4.3Å; E72-K74 PolarHBondContact O-N 3.48Å; E72-K74 WeakPolarHBondContact OE2-CE 3.48Å; E72-K74 IonicContact OE2-NZ 3.77Å; K74-S76 PolarHBondContact O-N 2.77Å; K74-Y153 WeakPolarHBondContact O-CB 3.21Å
75	A	72.1	Confident	62.6	Low	56 Å²	56	96.1 Å²	96.1	46%	0.463	56%	0.558	S	S	.	*			trans	-63.2	125.4	166.9	0	0	0	0	0	109.4	H73 E154 I156	H73-A75 PolarHBondContact O-N 2.81Å; A75-E154 WeakPolarHBondContact CA-O 3.11Å; A75-I156 HydrophobicContact CB-CD1 3.58Å; A75-I156 HydrophobicContact CB-CG1 4.18Å
76	S	73.2	Confident	65.8	Low	25 Å²	25	93.5 Å²	93.5	18%	0.175	54%	0.536	C	S	.	.	B	Isolated β-bridge	trans	-104.5	129.5	179.1	179.4	0	0	0	0	110.3	K74 S78 E154 I156	K74-S76 PolarHBondContact O-N 2.77Å; S76-S78 VanDerWaalsContact C-N 3.3Å; S76-S78 PolarHBondContact OG-N 2.97Å; S76-S78 PolarHBondContact OG-O 2.84Å; S76-E154 PolarHBondContact N-O 2.96Å; S76-I156 PolarHBondContact O-N 3.36Å; S76-I156 VanDerWaalsContact O-N 3.1Å
77	R	76.3	Confident	69	Low	213 Å²	213	89 Å²	89	80%	0.804	51%	0.509	S	S	*	.	S	Bend	trans	-86.5	-2.4	167.5	-66.2	-175.7	-178.6	-177.8	0.7	112.6
78	S	84	Confident	72	Confident	96 Å²	96	88.4 Å²	88.4	67%	0.671	49%	0.492	S	S	*	.			trans	-133.2	73.6	-173.5	58.4	0	0	0	0	109.6	S76	S76-S78 VanDerWaalsContact C-N 3.3Å; S76-S78 PolarHBondContact OG-N 2.97Å; S76-S78 PolarHBondContact OG-O 2.84Å
79	C	88.4	Confident	75.1	Confident	10 Å²	10	86.5 Å²	86.5	7%	0.068	48%	0.476	C	S	.	.			trans	-85.6	125.4	173.2	-179.6	0	0	0	0	109.3	Y81 L82 Y153 I155	C79-Y81 PolarHBondContact O-N 3.02Å; C79-L82 HydrophobicContact CB-CD1 4.37Å; C79-L82 HydrophobicContact CB-CD2 4.16Å; C79-L82 HydrophobicContact CB-CG 3.94Å; C79-L82 WeakPolarHBondContact O-CG 3.37Å; C79-Y153 HydrophobicContact CB-CE2 4.09Å; C79-Y153 PolarHBondContact SG-OH 2.7Å; C79-I155 HydrophobicContact CB-CD1 4.29Å; C79-I155 HydrophobicContact CB-CG1 4.1Å; C79-I155 HydrophobicContact CB-CG2 4.02Å
80	P	90.7	Very high	78.1	Confident	87 Å²	87	78.9 Å²	78.9	57%	0.565	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-15.6	-178.1	29.7	-34.3	0	0	0	113.3
81	Y	91.9	Very high	81.1	Confident	59 Å²	59	75.3 Å²	75.3	23%	0.231	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	11.1	-171.5	-49.5	-65.9	0	0	0	114.1	C79 D83 S84 R136 V137 C148	C79-Y81 PolarHBondContact O-N 3.02Å; Y81-D83 PolarHBondContact O-N 3.37Å; Y81-S84 WeakPolarHBondContact O-CB 3.39Å; Y81-S84 PolarHBondContact O-N 2.76Å; Y81-S84 PolarHBondContact O-OG 2.85Å; Y81-R136 HydrophobicContact CD2-CB 3.93Å; Y81-R136 HydrophobicContact CD2-CG 4.5Å; Y81-R136 HydrophobicContact CE2-CB 4.37Å; Y81-R136 VanDerWaalsContact CE2-CD 3.4Å; Y81-R136 HydrophobicContact CG-CB 4.04Å; Y81-V137 WeakPolarHBondContact O-CG2 3.39Å; Y81-C148 VanDerWaalsContact CD2-SG 3.53Å
82	L	91.5	Very high	83.9	Confident	36 Å²	36	72.8 Å²	72.8	19%	0.188	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-66	-25.8	-178.2	-66.9	179.8	0	0	0	113.2	C79 S84 I85 I155 D157 L160	C79-L82 HydrophobicContact CB-CD1 4.37Å; C79-L82 HydrophobicContact CB-CD2 4.16Å; C79-L82 HydrophobicContact CB-CG 3.94Å; C79-L82 WeakPolarHBondContact O-CG 3.37Å; L82-S84 VanDerWaalsContact C-N 3.3Å; L82-I85 HydrophobicContact CD2-CD1 4.01Å; L82-I85 WeakPolarHBondContact O-CB 3.36Å; L82-I85 WeakPolarHBondContact O-CD1 3.35Å; L82-I85 WeakPolarHBondContact O-CG1 3.34Å; L82-I85 PolarHBondContact O-N 3Å; L82-I155 HydrophobicContact CD2-CG2 3.89Å; L82-D157 HydrophobicContact CD1-CB 4.14Å; L82-D157 VanDerWaalsContact CD1-OD2 3.27Å; L82-D157 WeakPolarHBondContact CD1-OD2 3.36Å; L82-L160 HydrophobicContact CD2-CD1 4.04Å; L82-L160 HydrophobicContact CD2-CD2 4.28Å
83	D	91.6	Very high	86.2	Confident	139 Å²	139	66.5 Å²	66.5	74%	0.743	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-67.7	-27	175	64.2	-26.4	0	0	0	113.1	Y81 I85	Y81-D83 PolarHBondContact O-N 3.37Å; D83-I85 PolarHBondContact O-N 3.4Å
84	S	93.5	Very high	87.9	Confident	45 Å²	45	64.4 Å²	64.4	32%	0.315	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-70.9	-11	178.1	73.3	0	0	0	0	114.2	Y81 L82 N86	Y81-S84 WeakPolarHBondContact O-CB 3.39Å; Y81-S84 PolarHBondContact O-N 2.76Å; Y81-S84 PolarHBondContact O-OG 2.85Å; L82-S84 VanDerWaalsContact C-N 3.3Å; S84-N86 PolarHBondContact O-N 2.82Å
85	I	95.1	Very high	89.1	Confident	15 Å²	15	60.4 Å²	60.4	8%	0.077	32%	0.318	C	S	.	.			trans	-70.7	117.3	-176.2	-62.8	172.3	0	0	0	110.2	L82 D83 R87 L111 V137 L160 I163	L82-I85 HydrophobicContact CD2-CD1 4.01Å; L82-I85 WeakPolarHBondContact O-CB 3.36Å; L82-I85 WeakPolarHBondContact O-CD1 3.35Å; L82-I85 WeakPolarHBondContact O-CG1 3.34Å; L82-I85 PolarHBondContact O-N 3Å; D83-I85 PolarHBondContact O-N 3.4Å; I85-R87 HydrophobicContact CG2-CG 4.37Å; I85-L111 HydrophobicContact CD1-CD1 4.01Å; I85-L111 HydrophobicContact CG1-CB 4.05Å; I85-L111 HydrophobicContact CG1-CD1 4.31Å; I85-L111 HydrophobicContact CG2-CB 4.06Å; I85-V137 HydrophobicContact CD1-CG1 4.04Å; I85-V137 HydrophobicContact CG1-CB 4.3Å; I85-V137 HydrophobicContact CG1-CG1 4.21Å; I85-V137 HydrophobicContact CG1-CG2 4.42Å; I85-L160 HydrophobicContact CD1-CD2 3.4Å; I85-L160 VanDerWaalsContact CD1-CD2 3.4Å; I85-I163 HydrophobicContact CG2-CD1 3.84Å
86	N	94	Very high	90	Very high	62 Å²	62	60.6 Å²	60.6	33%	0.332	31%	0.308	S	S	.	.			trans	-101.4	99.8	175.7	-175.1	-5.3	0	0	0	110.4	S84 Q88 V89 L90 L111	S84-N86 PolarHBondContact O-N 2.82Å; N86-Q88 PolarHBondContact O-N 3.49Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.44Å; N86-Q88 PolarHBondContact OD1-N 2.63Å; N86-V89 HydrophobicContact CB-CG2 3.98Å; N86-V89 WeakPolarHBondContact O-CG2 2.95Å; N86-V89 PolarHBondContact O-N 3.34Å; N86-L90 WeakPolarHBondContact O-CG 3.43Å; N86-L111 PolarHBondContact N-O 2.95Å
87	R	93.6	Very high	91	Very high	42 Å²	42	61.8 Å²	61.8	16%	0.158	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-64.8	-24.3	179	-71.6	170.3	173.2	74.3	-0.2	113.5	I85 V89 L90 S159 D162 F189 F264	I85-R87 HydrophobicContact CG2-CG 4.37Å; R87-V89 VanDerWaalsContact C-N 3.27Å; R87-V89 PolarHBondContact O-N 2.96Å; R87-L90 PolarHBondContact O-N 2.85Å; R87-S159 PolarHBondContact NH2-O 3.35Å; R87-D162 IonicContact CZ-OD2 3.29Å; R87-D162 IonicContact NE-OD1 3.89Å; R87-D162 IonicContact NE-OD2 2.77Å; R87-D162 PolarHBondContact NE-OD2 2.92Å; R87-D162 IonicContact NH2-OD1 3.55Å; R87-D162 IonicContact NH2-OD2 3.58Å; R87-F189 HydrophobicContact CB-CD1 3.95Å; R87-F189 HydrophobicContact CB-CD2 4.13Å; R87-F189 HydrophobicContact CB-CE1 3.86Å; R87-F189 HydrophobicContact CB-CE2 4.04Å; R87-F189 HydrophobicContact CB-CG 4.09Å; R87-F189 HydrophobicContact CB-CZ 3.9Å; R87-F189 VanDerWaalsContact CD-CE2 3.42Å; R87-F189 HydrophobicContact CG-CE2 4.34Å; R87-F189 HydrophobicContact CG-CZ 4.48Å; R87-F264 HydrophobicContact CB-CD2 3.92Å; R87-F264 HydrophobicContact CB-CE2 3.7Å; R87-F264 HydrophobicContact CB-CZ 4.21Å; R87-F264 HydrophobicContact CG-CD2 4.45Å; R87-F264 HydrophobicContact CG-CE2 3.74Å; R87-F264 HydrophobicContact CG-CZ 3.89Å; R87-F264 VanDerWaalsContact O-CD2 3.24Å; R87-F264 WeakPolarHBondContact O-CD2 3.47Å
88	Q	92	Very high	92	Very high	117 Å²	117	51.7 Å²	51.7	55%	0.547	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-68	-26.7	-177.4	-61.5	179.7	-15.5	0	0	112.9	N86 F189 R265	N86-Q88 PolarHBondContact O-N 3.49Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.44Å; N86-Q88 PolarHBondContact OD1-N 2.63Å; Q88-F189 HydrophobicContact CG-CD1 3.89Å; Q88-F189 HydrophobicContact CG-CE1 3.78Å; Q88-R265 PolarHBondContact O-NH2 3.45Å
89	V	93.3	Very high	92.5	Very high	54 Å²	54	50.7 Å²	50.7	33%	0.327	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-93.6	-5.5	-179.1	-60.1	0	0	0	0	113.4	N86 R87 D91 V112	N86-V89 HydrophobicContact CB-CG2 3.98Å; N86-V89 WeakPolarHBondContact O-CG2 2.95Å; N86-V89 PolarHBondContact O-N 3.34Å; R87-V89 VanDerWaalsContact C-N 3.27Å; R87-V89 PolarHBondContact O-N 2.96Å; V89-D91 PolarHBondContact O-N 2.65Å; V89-V112 WeakPolarHBondContact CG2-O 3.49Å
90	L	94	Very high	92.8	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.026	29%	0.289	C	S	.	.			trans	-79.2	108.4	-179.1	-55.4	-174.8	0	0	0	109.5	N86 R87 F92 L111 I163 F264	N86-L90 WeakPolarHBondContact O-CG 3.43Å; R87-L90 PolarHBondContact O-N 2.85Å; L90-F92 HydrophobicContact CB-CE2 4.28Å; L90-F92 HydrophobicContact CB-CZ 4.22Å; L90-L111 HydrophobicContact CD1-CD2 4.05Å; L90-L111 HydrophobicContact CD2-CD2 4.15Å; L90-I163 HydrophobicContact CD1-CD1 3.93Å; L90-I163 HydrophobicContact CD1-CG1 4.06Å; L90-I163 HydrophobicContact CD1-CG2 4.06Å; L90-F264 HydrophobicContact CB-CD2 4.29Å; L90-F264 HydrophobicContact CB-CE2 4.27Å; L90-F264 HydrophobicContact CD1-CE2 4.09Å
91	D	91.7	Very high	92.9	Very high	35 Å²	35	52.6 Å²	52.6	19%	0.187	28%	0.278	C	S	.	.			trans	-123.3	119.2	173.9	-166	-29	0	0	0	108	V89 D93 F94 Y116	V89-D91 PolarHBondContact O-N 2.65Å; D91-D93 VanDerWaalsContact OD1-CB 3.3Å; D91-D93 WeakPolarHBondContact OD1-CB 3.42Å; D91-D93 PolarHBondContact OD1-N 3.37Å; D91-F94 HydrophobicContact CB-CD2 4.4Å; D91-F94 HydrophobicContact CB-CE2 4.22Å; D91-F94 VanDerWaalsContact CG-CE2 3.45Å; D91-F94 VanDerWaalsContact OD2-CE2 3.24Å; D91-F94 WeakPolarHBondContact OD2-CE2 3.35Å; D91-Y116 PolarHBondContact O-OH 3.02Å
92	F	93.2	Very high	93	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.022	30%	0.295	C	S	.	.			trans	-109.8	17.1	-178.2	-60.6	-54	0	0	0	112.3	L90 A109 Y116 L139 L141 I163 L166 L167 K257	L90-F92 HydrophobicContact CB-CE2 4.28Å; L90-F92 HydrophobicContact CB-CZ 4.22Å; F92-A109 HydrophobicContact CE1-CB 3.89Å; F92-Y116 WeakPolarHBondContact CA-OH 3.38Å; F92-Y116 HydrophobicContact CD1-CE1 4.37Å; F92-L139 HydrophobicContact CE1-CD2 4.45Å; F92-L139 HydrophobicContact CZ-CD2 4.04Å; F92-L141 HydrophobicContact CD1-CD2 4.23Å; F92-L141 HydrophobicContact CE1-CD2 4.15Å; F92-I163 HydrophobicContact CE2-CG2 3.85Å; F92-I163 HydrophobicContact CZ-CG2 3.84Å; F92-L166 HydrophobicContact CD2-CB 4.2Å; F92-L166 HydrophobicContact CD2-CD2 3.71Å; F92-L166 HydrophobicContact CD2-CG 3.87Å; F92-L166 HydrophobicContact CE2-CB 4.37Å; F92-L166 HydrophobicContact CE2-CD2 3.86Å; F92-L166 HydrophobicContact CE2-CG 4.33Å; F92-L167 HydrophobicContact CB-CD1 3.79Å; F92-L167 HydrophobicContact CD1-CD1 3.92Å; F92-L167 HydrophobicContact CD2-CB 3.79Å; F92-L167 HydrophobicContact CD2-CD1 4.39Å; F92-L167 HydrophobicContact CE2-CB 4.07Å; F92-L167 HydrophobicContact CG-CB 4.07Å; F92-L167 HydrophobicContact CG-CD1 3.79Å; F92-K257 PolarHBondContact O-NZ 2.96Å
93	D	91	Very high	93.2	Very high	22 Å²	22	54.6 Å²	54.6	12%	0.118	29%	0.294	C	S	.	.	S	Bend	trans	-90.9	-2.9	-176.5	-65	-15.3	0	0	0	114.6	D91 K257 S269 E272	D91-D93 VanDerWaalsContact OD1-CB 3.3Å; D91-D93 WeakPolarHBondContact OD1-CB 3.42Å; D91-D93 PolarHBondContact OD1-N 3.37Å; D93-K257 WeakPolarHBondContact OD1-CD 3.12Å; D93-K257 WeakPolarHBondContact OD1-CE 3.14Å; D93-K257 IonicContact OD1-NZ 3.73Å; D93-K257 PolarHBondContact OD1-NZ 2.84Å; D93-S269 PolarHBondContact OD2-N 3.01Å; D93-E272 WeakPolarHBondContact O-CG 3.38Å
94	F	89.3	Confident	93.2	Very high	87 Å²	87	53 Å²	53	38%	0.382	28%	0.282	S	S	.	.	S	Bend	trans	-105.2	170.6	179.9	-57.8	-74.3	0	0	0	112.6	D91 K96 H271	D91-F94 HydrophobicContact CB-CD2 4.4Å; D91-F94 HydrophobicContact CB-CE2 4.22Å; D91-F94 VanDerWaalsContact CG-CE2 3.45Å; D91-F94 VanDerWaalsContact OD2-CE2 3.24Å; D91-F94 WeakPolarHBondContact OD2-CE2 3.35Å; F94-K96 PolarHBondContact O-N 3.32Å; F94-H271 HydrophobicContact CD1-CB 4.19Å; F94-H271 HydrophobicContact CE1-CB 4.35Å
95	E	90.2	Very high	93.2	Very high	59 Å²	59	56.6 Å²	56.6	28%	0.276	30%	0.297	S	S	.	.			trans	-57.9	128.4	-179.6	-167.4	165.8	-155	0	0	111.4	Q97 H104 Y116 E272	E95-Q97 HydrophobicContact CB-CG 4.45Å; E95-Q97 HydrophobicContact CG-CB 4.47Å; E95-Q97 HydrophobicContact CG-CG 4.26Å; E95-Q97 PolarHBondContact O-N 2.75Å; E95-Q97 PolarHBondContact OE2-NE2 3.47Å; E95-H104 IonicContact OE1-CE1 3.7Å; E95-H104 PolarHBondContact OE1-CE1 3.28Å; E95-H104 VanDerWaalsContact OE1-CE1 3.25Å; E95-H104 IonicContact OE1-NE2 2.73Å; E95-Y116 WeakPolarHBondContact O-CE2 3.28Å; E95-E272 VanDerWaalsContact CA-CD 3.48Å; E95-E272 WeakPolarHBondContact CA-OE1 3.24Å; E95-E272 VanDerWaalsContact CB-OE1 3.31Å; E95-E272 WeakPolarHBondContact CB-OE1 3.27Å; E95-E272 PolarHBondContact N-OE1 3.35Å
96	K	92.6	Very high	93.2	Very high	59 Å²	59	60.3 Å²	60.3	26%	0.257	32%	0.316	S	S	.	.			trans	-79.3	64.8	-176	-58.7	167.1	-172.5	166.4	0	110.2	F94 L141 E253	F94-K96 PolarHBondContact O-N 3.32Å; K96-L141 HydrophobicContact CB-CD1 3.91Å; K96-L141 HydrophobicContact CG-CD1 4.11Å; K96-E253 IonicContact NZ-OE1 2.89Å; K96-E253 PolarHBondContact NZ-OE1 2.88Å
97	Q	93.8	Very high	93.3	Very high	51 Å²	51	57.6 Å²	57.6	24%	0.238	30%	0.302	C	S	.	.			trans	-124.7	153.3	179.9	68.1	-175.2	-22.9	0	0	111.9	E95 S99 S103 Y116	E95-Q97 HydrophobicContact CB-CG 4.45Å; E95-Q97 HydrophobicContact CG-CB 4.47Å; E95-Q97 HydrophobicContact CG-CG 4.26Å; E95-Q97 PolarHBondContact O-N 2.75Å; E95-Q97 PolarHBondContact OE2-NE2 3.47Å; Q97-S99 PolarHBondContact O-N 2.84Å; Q97-S103 WeakPolarHBondContact CA-O 3.26Å; Q97-Y116 WeakPolarHBondContact O-CB 3.41Å
98	C	96.1	Very high	93.5	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.			trans	-66	131.1	175.5	178.9	0	0	0	0	111.3	V100 S101 L102 S103 Q118	C98-V100 PolarHBondContact O-N 2.99Å; C98-V100 VanDerWaalsContact O-N 3.12Å; C98-V100 PolarHBondContact SG-N 3.41Å; C98-S101 VanDerWaalsContact CB-OG 3.28Å; C98-S101 WeakPolarHBondContact CB-OG 3.23Å; C98-S101 PolarHBondContact SG-N 3.04Å; C98-S101 PolarHBondContact SG-OG 3.11Å; C98-L102 VanDerWaalsContact O-CA 3.23Å; C98-L102 WeakPolarHBondContact O-CA 3.37Å; C98-L102 PolarHBondContact O-N 3.2Å; C98-S103 PolarHBondContact N-O 2.79Å; C98-Q118 HydrophobicContact CB-CB 3.82Å; C98-Q118 PolarHBondContact SG-N 2.92Å
99	S	94.4	Very high	93.7	Very high	76 Å²	76	50.4 Å²	50.4	53%	0.531	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-6.6	177.5	-51	0	0	0	0	114.4	Q97 Y116	Q97-S99 PolarHBondContact O-N 2.84Å; S99-Y116 PolarHBondContact N-O 3.05Å; S99-Y116 PolarHBondContact OG-O 2.97Å
100	V	94.7	Very high	93.9	Very high	90 Å²	90	47.8 Å²	47.8	55%	0.545	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-56.7	-180	-176.7	0	0	0	0	110.8	C98 F117	C98-V100 PolarHBondContact O-N 2.99Å; C98-V100 VanDerWaalsContact O-N 3.12Å; C98-V100 PolarHBondContact SG-N 3.41Å; V100-F117 HydrophobicContact CG2-CD1 4.21Å; V100-F117 HydrophobicContact CG2-CE1 4.17Å
101	S	94.6	Very high	94	Very high	47 Å²	47	47.6 Å²	47.6	33%	0.329	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-10.2	-176.4	61.5	0	0	0	0	114.8	C98 S103 Q118	C98-S101 VanDerWaalsContact CB-OG 3.28Å; C98-S101 WeakPolarHBondContact CB-OG 3.23Å; C98-S101 PolarHBondContact SG-N 3.04Å; C98-S101 PolarHBondContact SG-OG 3.11Å; S101-S103 PolarHBondContact O-N 2.9Å; S101-S103 VanDerWaalsContact O-N 3.09Å; S101-S103 WeakPolarHBondContact OG-CB 3.26Å; S101-S103 PolarHBondContact OG-N 2.86Å; S101-Q118 PolarHBondContact OG-OE1 2.88Å
102	L	93.9	Very high	94.3	Very high	114 Å²	114	47.2 Å²	47.2	60%	0.597	25%	0.252	S	S	*	.			trans	57.6	16.1	-171.3	-53.9	175.9	0	0	0	114.1	C98	C98-L102 VanDerWaalsContact O-CA 3.23Å; C98-L102 WeakPolarHBondContact O-CA 3.37Å; C98-L102 PolarHBondContact O-N 3.2Å
103	S	94.1	Very high	94.4	Very high	23 Å²	23	48.7 Å²	48.7	16%	0.161	26%	0.263	C	S	.	.			trans	-77.8	140.5	176.9	-180	0	0	0	0	111.4	Q97 C98 S101 L105 V107 Q118	Q97-S103 WeakPolarHBondContact CA-O 3.26Å; C98-S103 PolarHBondContact N-O 2.79Å; S101-S103 PolarHBondContact O-N 2.9Å; S101-S103 VanDerWaalsContact O-N 3.09Å; S101-S103 WeakPolarHBondContact OG-CB 3.26Å; S101-S103 PolarHBondContact OG-N 2.86Å; S103-L105 PolarHBondContact OG-N 2.69Å; S103-L105 VanDerWaalsContact OG-N 3.13Å; S103-V107 VanDerWaalsContact O-CG2 3.29Å; S103-V107 WeakPolarHBondContact O-CG2 3.34Å; S103-Q118 VanDerWaalsContact CB-OE1 3.24Å; S103-Q118 PolarHBondContact OG-NE2 3.26Å
104	H	92.1	Very high	94.6	Very high	106 Å²	106	48.2 Å²	48.2	49%	0.491	26%	0.263	S	S	.	.			trans	-89.3	-6.3	170.4	-57.8	-74.4	0	0	0	113.3	E95	E95-H104 IonicContact OE1-CE1 3.7Å; E95-H104 PolarHBondContact OE1-CE1 3.28Å; E95-H104 VanDerWaalsContact OE1-CE1 3.25Å; E95-H104 IonicContact OE1-NE2 2.73Å
105	L	93.4	Very high	94.9	Very high	120 Å²	120	49.9 Å²	49.9	63%	0.628	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	131.1	-176	-58	176.5	0	0	0	110.3	S103 V107 Q118	S103-L105 PolarHBondContact OG-N 2.69Å; S103-L105 VanDerWaalsContact OG-N 3.13Å; L105-V107 PolarHBondContact O-N 3.02Å; L105-Q118 WeakPolarHBondContact O-CG 3.3Å
106	N	94.3	Very high	95.2	Very high	92 Å²	92	47.8 Å²	47.8	49%	0.492	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	54.7	174.1	-69.9	-36.6	0	0	0	113.4	Y108 G119	N106-Y108 HydrophobicContact CB-CE2 4.4Å; N106-Y108 WeakPolarHBondContact O-CD2 3.44Å; N106-Y108 WeakPolarHBondContact O-CE2 3.4Å; N106-G119 PolarHBondContact O-N 2.73Å
107	V	96.9	Very high	95.5	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.03	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.1	-177.3	-174.1	0	0	0	0	111.2	S103 L105 Y116 L141	S103-V107 VanDerWaalsContact O-CG2 3.29Å; S103-V107 WeakPolarHBondContact O-CG2 3.34Å; L105-V107 PolarHBondContact O-N 3.02Å; V107-Y116 HydrophobicContact CG1-CG 4.32Å; V107-L141 HydrophobicContact CB-CD1 4.2Å; V107-L141 HydrophobicContact CG1-CD1 3.71Å; V107-L141 PolarHBondContact O-N 2.94Å
108	Y	97.2	Very high	95.6	Very high	8 Å²	8	45.7 Å²	45.7	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.6	-179.2	-69.7	-100.3	0	0	0	110.5	N106 Y116 F117 R120 F138 L139 N140 Y147	N106-Y108 HydrophobicContact CB-CE2 4.4Å; N106-Y108 WeakPolarHBondContact O-CD2 3.44Å; N106-Y108 WeakPolarHBondContact O-CE2 3.4Å; Y108-Y116 CarbonylContact O-C 3.3Å; Y108-Y116 WeakPolarHBondContact O-CA 3.5Å; Y108-F117 PolarHBondContact N-O 2.68Å; Y108-F117 PolarHBondContact O-N 3.13Å; Y108-R120 HydrophobicContact CE1-CB 4.29Å; Y108-R120 HydrophobicContact CE2-CB 4.21Å; Y108-R120 WeakPolarHBondContact OH-CD 3.43Å; Y108-F138 HydrophobicContact CD1-CB 4.16Å; Y108-L139 CarbonylContact C-O 3.58Å; Y108-L139 VanDerWaalsContact CA-O 3.23Å; Y108-L139 WeakPolarHBondContact CA-O 3.38Å; Y108-N140 HydrophobicContact CD1-CB 3.99Å; Y108-N140 HydrophobicContact CE1-CB 3.65Å; Y108-N140 PolarHBondContact OH-ND2 2.83Å; Y108-Y147 HydrophobicContact CD1-CD2 4.4Å; Y108-Y147 AromaticContact CE1-CD2 3.63Å; Y108-Y147 HydrophobicContact CE1-CD2 3.63Å; Y108-Y147 HydrophobicContact CE1-CE2 4.1Å; Y108-Y147 HydrophobicContact CE1-CG 4.38Å
109	A	97.4	Very high	95.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	124.4	170.2	0	0	0	0	0	110.5	F92 L111 Y116 F138 L139 L141	F92-A109 HydrophobicContact CE1-CB 3.89Å; A109-L111 PolarHBondContact O-N 3.18Å; A109-Y116 HydrophobicContact CB-CD1 3.74Å; A109-Y116 HydrophobicContact CB-CE1 3.83Å; A109-F138 CarbonylContact O-C 3.52Å; A109-F138 VanDerWaalsContact O-CA 3.28Å; A109-F138 WeakPolarHBondContact O-CA 3.23Å; A109-L139 PolarHBondContact N-O 3.05Å; A109-L139 PolarHBondContact O-N 2.56Å; A109-L141 HydrophobicContact CB-CD2 3.72Å; A109-L141 HydrophobicContact CB-CG 4.26Å
110	C	97.5	Very high	95.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	117.6	171.7	177.9	0	0	0	0	109.5	V112 C113 G114 K115 F117 H129 H135 F138	C110-V112 PolarHBondContact O-N 3.18Å; C110-C113 PolarHBondContact SG-SG 2.79Å; C110-G114 VanDerWaalsContact O-CA 3.32Å; C110-G114 WeakPolarHBondContact O-CA 3.4Å; C110-G114 PolarHBondContact O-N 3.44Å; C110-K115 WeakPolarHBondContact CB-O 3.46Å; C110-K115 PolarHBondContact N-O 2.64Å; C110-F117 HydrophobicContact CB-CD2 4.18Å; C110-F117 HydrophobicContact CB-CE2 4.01Å; C110-H129 PolarHBondContact SG-NE2 2.78Å; C110-H129 VanDerWaalsContact SG-NE2 3.36Å; C110-H135 WeakPolarHBondContact SG-CB 3.44Å; C110-F138 HydrophobicContact CB-CD1 4.06Å; C110-F138 HydrophobicContact CB-CE1 3.81Å
111	L	96.4	Very high	95.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-5.7	-174.9	-59.9	-168.5	0	0	0	114.2	I85 N86 L90 A109 V137 L139 F146 I163	I85-L111 HydrophobicContact CD1-CD1 4.01Å; I85-L111 HydrophobicContact CG1-CB 4.05Å; I85-L111 HydrophobicContact CG1-CD1 4.31Å; I85-L111 HydrophobicContact CG2-CB 4.06Å; N86-L111 PolarHBondContact N-O 2.95Å; L90-L111 HydrophobicContact CD1-CD2 4.05Å; L90-L111 HydrophobicContact CD2-CD2 4.15Å; A109-L111 PolarHBondContact O-N 3.18Å; L111-V137 HydrophobicContact CB-CB 4.34Å; L111-V137 HydrophobicContact CB-CG1 4.27Å; L111-V137 HydrophobicContact CD1-CG1 3.65Å; L111-V137 HydrophobicContact CG-CG1 4.17Å; L111-V137 PolarHBondContact N-O 3.38Å; L111-L139 HydrophobicContact CD2-CB 3.87Å; L111-L139 HydrophobicContact CG-CB 4.43Å; L111-F146 HydrophobicContact CD1-CD1 3.77Å; L111-F146 HydrophobicContact CD1-CE1 3.68Å; L111-I163 HydrophobicContact CD1-CD1 4.08Å; L111-I163 HydrophobicContact CD2-CG2 4.15Å
112	V	96.5	Very high	95.2	Very high	27 Å²	27	45.7 Å²	45.7	16%	0.164	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-39.6	178.3	-173.6	0	0	0	0	111.5	V89 C110 H135	V89-V112 WeakPolarHBondContact CG2-O 3.49Å; C110-V112 PolarHBondContact O-N 3.18Å; V112-H135 HydrophobicContact CB-CB 4.03Å; V112-H135 WeakPolarHBondContact CG1-NE2 3.45Å; V112-H135 HydrophobicContact CG2-CB 4.02Å
113	C	95.8	Very high	95	Very high	36 Å²	36	47.6 Å²	47.6	24%	0.243	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-3	-177.3	64.6	0	0	0	0	115.8	C110 K115 H129 H135	C110-C113 PolarHBondContact SG-SG 2.79Å; C113-K115 PolarHBondContact O-N 3.32Å; C113-K115 VanDerWaalsContact O-N 3.1Å; C113-H129 PolarHBondContact SG-NE2 3.06Å; C113-H135 PolarHBondContact SG-ND1 2.82Å
114	G	95	Very high	95.1	Very high	13 Å²	13	48.1 Å²	48.1	13%	0.134	26%	0.258	C	S	.	.			trans	76	-13.5	179.1	0	0	0	0	0	116.1	C110 Y116	C110-G114 VanDerWaalsContact O-CA 3.32Å; C110-G114 WeakPolarHBondContact O-CA 3.4Å; C110-G114 PolarHBondContact O-N 3.44Å; G114-Y116 WeakPolarHBondContact O-CD1 3.38Å; G114-Y116 WeakPolarHBondContact O-CE1 3.31Å
115	K	96.2	Very high	95.3	Very high	122 Å²	122	46 Å²	46	53%	0.53	25%	0.248	S	C	.	.			trans	-67.6	153.8	178.3	-63.3	-178.2	-178.8	179.9	0	113.2	C110 C113 F117	C110-K115 WeakPolarHBondContact CB-O 3.46Å; C110-K115 PolarHBondContact N-O 2.64Å; C113-K115 PolarHBondContact O-N 3.32Å; C113-K115 VanDerWaalsContact O-N 3.1Å; K115-F117 HydrophobicContact CB-CE2 3.58Å; K115-F117 HydrophobicContact CB-CZ 3.71Å; K115-F117 HydrophobicContact CD-CZ 4.15Å
116	Y	97.2	Very high	95.4	Very high	14 Å²	14	40.2 Å²	40.2	6%	0.055	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	133.5	-176.9	-61.5	-10.7	0	0	0	111.8	D91 F92 E95 Q97 S99 V107 Y108 A109 G114 L141	D91-Y116 PolarHBondContact O-OH 3.02Å; F92-Y116 WeakPolarHBondContact CA-OH 3.38Å; F92-Y116 HydrophobicContact CD1-CE1 4.37Å; E95-Y116 WeakPolarHBondContact O-CE2 3.28Å; Q97-Y116 WeakPolarHBondContact O-CB 3.41Å; S99-Y116 PolarHBondContact N-O 3.05Å; S99-Y116 PolarHBondContact OG-O 2.97Å; V107-Y116 HydrophobicContact CG1-CG 4.32Å; Y108-Y116 CarbonylContact O-C 3.3Å; Y108-Y116 WeakPolarHBondContact O-CA 3.5Å; A109-Y116 HydrophobicContact CB-CD1 3.74Å; A109-Y116 HydrophobicContact CB-CE1 3.83Å; G114-Y116 WeakPolarHBondContact O-CD1 3.38Å; G114-Y116 WeakPolarHBondContact O-CE1 3.31Å; Y116-L141 HydrophobicContact CD1-CD1 4.14Å; Y116-L141 HydrophobicContact CD2-CD1 3.99Å; Y116-L141 HydrophobicContact CE1-CD1 4.27Å; Y116-L141 HydrophobicContact CE2-CD1 4.07Å; Y116-L141 HydrophobicContact CG-CD1 4.03Å
117	F	97.5	Very high	95.5	Very high	13 Å²	13	38.8 Å²	38.8	6%	0.057	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.9	-176.8	-60.2	-78.2	0	0	0	111.8	V100 Y108 C110 K115 H125 A126 H129 F138	V100-F117 HydrophobicContact CG2-CD1 4.21Å; V100-F117 HydrophobicContact CG2-CE1 4.17Å; Y108-F117 PolarHBondContact N-O 2.68Å; Y108-F117 PolarHBondContact O-N 3.13Å; C110-F117 HydrophobicContact CB-CD2 4.18Å; C110-F117 HydrophobicContact CB-CE2 4.01Å; K115-F117 HydrophobicContact CB-CE2 3.58Å; K115-F117 HydrophobicContact CB-CZ 3.71Å; K115-F117 HydrophobicContact CD-CZ 4.15Å; F117-H125 HydrophobicContact CB-CB 4.21Å; F117-H125 HydrophobicContact CD1-CB 4.18Å; F117-A126 HydrophobicContact CB-CB 3.67Å; F117-H129 HydrophobicContact CD1-CB 4.26Å; F117-H129 HydrophobicContact CD2-CB 4.31Å; F117-H129 AromaticContact CD2-CD2 3.89Å; F117-H129 AromaticContact CD2-CG 3.98Å; F117-H129 HydrophobicContact CE1-CB 4.17Å; F117-H129 AromaticContact CE1-ND1 3.82Å; F117-H129 HydrophobicContact CE2-CB 4.21Å; F117-H129 AromaticContact CE2-CD2 3.43Å; F117-H129 VanDerWaalsContact CE2-CD2 3.43Å; F117-H129 WeakPolarHBondContact CE2-CD2 3.2Å; F117-H129 AromaticContact CE2-CE1 3.45Å; F117-H129 VanDerWaalsContact CE2-CE1 3.45Å; F117-H129 WeakPolarHBondContact CE2-CE1 3.46Å; F117-H129 AromaticContact CE2-CG 3.48Å; F117-H129 VanDerWaalsContact CE2-CG 3.48Å; F117-H129 AromaticContact CE2-ND1 3.51Å; F117-H129 AromaticContact CE2-NE2 3.42Å; F117-H129 WeakPolarHBondContact CE2-NE2 3.38Å; F117-H129 HydrophobicContact CG-CB 4.33Å; F117-H129 HydrophobicContact CZ-CB 4.15Å; F117-H129 AromaticContact CZ-CD2 3.94Å; F117-H129 AromaticContact CZ-CE1 3.39Å; F117-H129 WeakPolarHBondContact CZ-CE1 3.23Å; F117-H129 AromaticContact CZ-CG 3.51Å; F117-H129 AromaticContact CZ-ND1 3.14Å; F117-H129 WeakPolarHBondContact CZ-ND1 3.4Å; F117-H129 AromaticContact CZ-NE2 3.86Å; F117-F138 HydrophobicContact CD2-CE1 4.26Å
118	Q	96.8	Very high	95.5	Very high	54 Å²	54	41.2 Å²	41.2	25%	0.252	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	139.2	179.1	-178.2	174.5	10.1	0	0	111.4	C98 S101 S103 L105 T124 H125 A126	C98-Q118 HydrophobicContact CB-CB 3.82Å; C98-Q118 PolarHBondContact SG-N 2.92Å; S101-Q118 PolarHBondContact OG-OE1 2.88Å; S103-Q118 VanDerWaalsContact CB-OE1 3.24Å; S103-Q118 PolarHBondContact OG-NE2 3.26Å; L105-Q118 WeakPolarHBondContact O-CG 3.3Å; Q118-T124 WeakPolarHBondContact O-CB 3.3Å; Q118-T124 PolarHBondContact O-OG1 3.39Å; Q118-H125 PolarHBondContact O-N 2.98Å; Q118-H125 VanDerWaalsContact O-N 3.12Å; Q118-A126 PolarHBondContact O-N 2.74Å
119	G	93.8	Very high	95.4	Very high	9 Å²	9	41.5 Å²	41.5	9%	0.093	22%	0.223	C	C	.	.			trans	68.4	170.4	166	0	0	0	0	0	115	N106 T124 A126	N106-G119 PolarHBondContact O-N 2.73Å; G119-T124 PolarHBondContact O-OG1 2.8Å; G119-A126 WeakPolarHBondContact O-CB 3.4Å
120	R	93.2	Very high	95.4	Very high	83 Å²	83	41.5 Å²	41.5	31%	0.313	22%	0.223	S	C	.	.	S	Bend	trans	-125	-4	176.1	62.5	171.6	176.5	179	3	114.7	Y108 T124 Y147 L149	Y108-R120 HydrophobicContact CE1-CB 4.29Å; Y108-R120 HydrophobicContact CE2-CB 4.21Å; Y108-R120 WeakPolarHBondContact OH-CD 3.43Å; R120-T124 WeakPolarHBondContact CA-OG1 3.4Å; R120-T124 PolarHBondContact N-OG1 2.81Å; R120-T124 VanDerWaalsContact N-OG1 3.16Å; R120-Y147 PolarHBondContact NH1-OH 3.25Å; R120-L149 HydrophobicContact CB-CD1 4.28Å; R120-L149 HydrophobicContact CB-CD2 4.07Å
121	G	92.2	Very high	95.3	Very high	32 Å²	32	45.5 Å²	45.5	33%	0.33	25%	0.247	S	C	.	.	S	Bend	trans	-74	166.4	-179.7	0	0	0	0	0	111.7	N123 T124 Y127	G121-N123 PolarHBondContact O-N 3.5Å; G121-N123 VanDerWaalsContact O-N 3.09Å; G121-T124 PolarHBondContact N-OG1 3.2Å; G121-T124 WeakPolarHBondContact O-CB 3.31Å; G121-T124 WeakPolarHBondContact O-CG2 3.43Å; G121-T124 PolarHBondContact O-N 2.86Å; G121-T124 PolarHBondContact O-OG1 2.86Å; G121-Y127 WeakPolarHBondContact O-CB 3.4Å
122	T	90.9	Very high	95.2	Very high	89 Å²	89	51.6 Å²	51.6	55%	0.546	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.6	-176.5	48.4	0	0	0	0	114.1	Y127	T122-Y127 HydrophobicContact CG2-CE1 4.38Å; T122-Y127 HydrophobicContact CG2-CE2 4.11Å; T122-Y127 VanDerWaalsContact O-CD1 3.27Å; T122-Y127 WeakPolarHBondContact O-CD1 3.27Å
123	N	91	Very high	95	Very high	154 Å²	154	55 Å²	55	82%	0.824	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	11.9	-179.3	-63.9	-22.6	0	0	0	113.9	G121	G121-N123 PolarHBondContact O-N 3.5Å; G121-N123 VanDerWaalsContact O-N 3.09Å
124	T	95	Very high	94.9	Very high	34 Å²	34	54.8 Å²	54.8	21%	0.209	30%	0.3	C	S	.	.	S	Bend	trans	-104.2	156.7	-174	78.4	0	0	0	0	112.4	Q118 G119 R120 G121 A126 Y127 T128	Q118-T124 WeakPolarHBondContact O-CB 3.3Å; Q118-T124 PolarHBondContact O-OG1 3.39Å; G119-T124 PolarHBondContact O-OG1 2.8Å; R120-T124 WeakPolarHBondContact CA-OG1 3.4Å; R120-T124 PolarHBondContact N-OG1 2.81Å; R120-T124 VanDerWaalsContact N-OG1 3.16Å; G121-T124 PolarHBondContact N-OG1 3.2Å; G121-T124 WeakPolarHBondContact O-CB 3.31Å; G121-T124 WeakPolarHBondContact O-CG2 3.43Å; G121-T124 PolarHBondContact O-N 2.86Å; G121-T124 PolarHBondContact O-OG1 2.86Å; T124-A126 VanDerWaalsContact C-N 3.29Å; T124-A126 PolarHBondContact O-N 3.47Å; T124-Y127 PolarHBondContact O-N 3.02Å; T124-Y127 VanDerWaalsContact O-N 3.12Å; T124-T128 PolarHBondContact O-N 3.41Å
125	H	96.4	Very high	95	Very high	60 Å²	60	56 Å²	56	28%	0.278	30%	0.302	S	S	.	.	H	α-helix	trans	-63.2	-31.1	-175.3	-62.1	-49.5	0	0	0	113.8	F117 Q118 T128 H129	F117-H125 HydrophobicContact CB-CB 4.21Å; F117-H125 HydrophobicContact CD1-CB 4.18Å; Q118-H125 PolarHBondContact O-N 2.98Å; Q118-H125 VanDerWaalsContact O-N 3.12Å; H125-T128 WeakPolarHBondContact CA-OG1 3.44Å; H125-T128 PolarHBondContact O-OG1 3.44Å; H125-T128 VanDerWaalsContact O-OG1 3.06Å; H125-H129 WeakPolarHBondContact O-CB 3.27Å; H125-H129 PolarHBondContact O-N 2.97Å
126	A	96.4	Very high	95	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-71.4	-36.3	176.8	0	0	0	0	0	111.5	F117 Q118 G119 T124 S130 F138 L149	F117-A126 HydrophobicContact CB-CB 3.67Å; Q118-A126 PolarHBondContact O-N 2.74Å; G119-A126 WeakPolarHBondContact O-CB 3.4Å; T124-A126 VanDerWaalsContact C-N 3.29Å; T124-A126 PolarHBondContact O-N 3.47Å; A126-S130 WeakPolarHBondContact O-CB 3.15Å; A126-S130 PolarHBondContact O-N 2.98Å; A126-F138 HydrophobicContact CB-CD1 4.08Å; A126-F138 HydrophobicContact CB-CE1 3.87Å; A126-F138 HydrophobicContact CB-CZ 4.43Å; A126-F138 VanDerWaalsContact O-CZ 3.3Å; A126-F138 WeakPolarHBondContact O-CZ 3.19Å; A126-L149 HydrophobicContact CB-CD1 3.84Å
127	Y	96.6	Very high	94.9	Very high	62 Å²	62	53.8 Å²	53.8	24%	0.243	29%	0.29	C	S	.	.	H	α-helix	trans	-66.4	-49.5	176.3	-171.8	-83.2	0	0	0	110.8	G121 T122 T124 H129 S130 V131 P150	G121-Y127 WeakPolarHBondContact O-CB 3.4Å; T122-Y127 HydrophobicContact CG2-CE1 4.38Å; T122-Y127 HydrophobicContact CG2-CE2 4.11Å; T122-Y127 VanDerWaalsContact O-CD1 3.27Å; T122-Y127 WeakPolarHBondContact O-CD1 3.27Å; T124-Y127 PolarHBondContact O-N 3.02Å; T124-Y127 VanDerWaalsContact O-N 3.12Å; Y127-H129 VanDerWaalsContact C-N 3.33Å; Y127-H129 PolarHBondContact O-N 2.98Å; Y127-S130 WeakPolarHBondContact O-CB 3.31Å; Y127-S130 PolarHBondContact O-N 2.94Å; Y127-S130 VanDerWaalsContact O-N 3.07Å; Y127-S130 PolarHBondContact O-OG 2.62Å; Y127-V131 HydrophobicContact CD1-CG2 4.19Å; Y127-V131 HydrophobicContact CE1-CG2 3.86Å; Y127-V131 PolarHBondContact O-N 3.28Å; Y127-V131 VanDerWaalsContact O-N 3.13Å; Y127-P150 HydrophobicContact CD2-CB 4.23Å; Y127-P150 HydrophobicContact CE1-CB 4.39Å; Y127-P150 HydrophobicContact CE2-CB 3.54Å
128	T	96.1	Very high	94.9	Very high	56 Å²	56	53.1 Å²	53.1	34%	0.344	29%	0.287	S	S	.	.	H	α-helix	trans	-59.1	-45.2	176.7	61.8	0	0	0	0	111.2	T124 H125 S130 V131 D132	T124-T128 PolarHBondContact O-N 3.41Å; H125-T128 WeakPolarHBondContact CA-OG1 3.44Å; H125-T128 PolarHBondContact O-OG1 3.44Å; H125-T128 VanDerWaalsContact O-OG1 3.06Å; T128-S130 VanDerWaalsContact C-N 3.27Å; T128-S130 PolarHBondContact O-N 3.47Å; T128-V131 PolarHBondContact O-N 2.81Å; T128-V131 VanDerWaalsContact O-N 3.14Å; T128-D132 VanDerWaalsContact O-CB 3.3Å; T128-D132 WeakPolarHBondContact O-CB 3.46Å; T128-D132 PolarHBondContact O-N 3.24Å
129	H	96.4	Very high	94.9	Very high	13 Å²	13	50.6 Å²	50.6	6%	0.06	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-36.1	175.7	178.6	83	0	0	0	113	C110 C113 F117 H125 Y127 I133 H135 F138	C110-H129 PolarHBondContact SG-NE2 2.78Å; C110-H129 VanDerWaalsContact SG-NE2 3.36Å; C113-H129 PolarHBondContact SG-NE2 3.06Å; F117-H129 HydrophobicContact CD1-CB 4.26Å; F117-H129 HydrophobicContact CD2-CB 4.31Å; F117-H129 AromaticContact CD2-CD2 3.89Å; F117-H129 AromaticContact CD2-CG 3.98Å; F117-H129 HydrophobicContact CE1-CB 4.17Å; F117-H129 AromaticContact CE1-ND1 3.82Å; F117-H129 HydrophobicContact CE2-CB 4.21Å; F117-H129 AromaticContact CE2-CD2 3.43Å; F117-H129 VanDerWaalsContact CE2-CD2 3.43Å; F117-H129 WeakPolarHBondContact CE2-CD2 3.2Å; F117-H129 AromaticContact CE2-CE1 3.45Å; F117-H129 VanDerWaalsContact CE2-CE1 3.45Å; F117-H129 WeakPolarHBondContact CE2-CE1 3.46Å; F117-H129 AromaticContact CE2-CG 3.48Å; F117-H129 VanDerWaalsContact CE2-CG 3.48Å; F117-H129 AromaticContact CE2-ND1 3.51Å; F117-H129 AromaticContact CE2-NE2 3.42Å; F117-H129 WeakPolarHBondContact CE2-NE2 3.38Å; F117-H129 HydrophobicContact CG-CB 4.33Å; F117-H129 HydrophobicContact CZ-CB 4.15Å; F117-H129 AromaticContact CZ-CD2 3.94Å; F117-H129 AromaticContact CZ-CE1 3.39Å; F117-H129 WeakPolarHBondContact CZ-CE1 3.23Å; F117-H129 AromaticContact CZ-CG 3.51Å; F117-H129 AromaticContact CZ-ND1 3.14Å; F117-H129 WeakPolarHBondContact CZ-ND1 3.4Å; F117-H129 AromaticContact CZ-NE2 3.86Å; H125-H129 WeakPolarHBondContact O-CB 3.27Å; H125-H129 PolarHBondContact O-N 2.97Å; Y127-H129 VanDerWaalsContact C-N 3.33Å; Y127-H129 PolarHBondContact O-N 2.98Å; H129-I133 VanDerWaalsContact CE1-CD1 3.46Å; H129-I133 WeakPolarHBondContact CE1-CD1 3.42Å; H129-I133 WeakPolarHBondContact ND1-CD1 3.4Å; H129-I133 WeakPolarHBondContact O-CB 3.43Å; H129-I133 PolarHBondContact O-N 3.39Å; H129-I133 VanDerWaalsContact O-N 3.13Å; H129-H135 AromaticContact CE1-ND1 3.85Å; H129-H135 AromaticContact NE2-CG 3.87Å; H129-H135 AromaticContact NE2-ND1 3.37Å; H129-H135 PolarHBondContact NE2-ND1 2.87Å; H129-F138 AromaticContact CD2-CE1 3.89Å; H129-F138 AromaticContact CD2-CZ 3.79Å
130	S	96.2	Very high	95	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.007	27%	0.272	C	S	.	.	H	α-helix	trans	-67.4	-35.4	177.2	79.3	0	0	0	0	113.4	A126 Y127 T128 G134 H135 L149	A126-S130 WeakPolarHBondContact O-CB 3.15Å; A126-S130 PolarHBondContact O-N 2.98Å; Y127-S130 WeakPolarHBondContact O-CB 3.31Å; Y127-S130 PolarHBondContact O-N 2.94Å; Y127-S130 VanDerWaalsContact O-N 3.07Å; Y127-S130 PolarHBondContact O-OG 2.62Å; T128-S130 VanDerWaalsContact C-N 3.27Å; T128-S130 PolarHBondContact O-N 3.47Å; S130-G134 CarbonylContact O-C 3.57Å; S130-G134 WeakPolarHBondContact O-CA 3.37Å; S130-G134 PolarHBondContact O-N 3.04Å; S130-G134 VanDerWaalsContact O-N 3.15Å; S130-H135 VanDerWaalsContact CA-O 3.24Å; S130-H135 WeakPolarHBondContact CA-O 3.46Å; S130-H135 WeakPolarHBondContact CB-O 3.24Å; S130-L149 WeakPolarHBondContact OG-CB 3.31Å
131	V	95	Very high	95.1	Very high	83 Å²	83	47 Å²	47	50%	0.503	26%	0.26	S	S	.	.	H	α-helix	trans	-82	-46.8	-179.9	177.5	0	0	0	0	110.8	Y127 T128 P150	Y127-V131 HydrophobicContact CD1-CG2 4.19Å; Y127-V131 HydrophobicContact CE1-CG2 3.86Å; Y127-V131 PolarHBondContact O-N 3.28Å; Y127-V131 VanDerWaalsContact O-N 3.13Å; T128-V131 PolarHBondContact O-N 2.81Å; T128-V131 VanDerWaalsContact O-N 3.14Å; V131-P150 HydrophobicContact CG2-CB 3.92Å; V131-P150 HydrophobicContact CG2-CG 4.17Å
132	D	94.5	Very high	95.1	Very high	129 Å²	129	52.4 Å²	52.4	69%	0.69	28%	0.277	S	S	*	.	H	α-helix	trans	-70.3	-43.2	-173.8	-65.3	-21.2	0	0	0	112.3	T128	T128-D132 VanDerWaalsContact O-CB 3.3Å; T128-D132 WeakPolarHBondContact O-CB 3.46Å; T128-D132 PolarHBondContact O-N 3.24Å
133	I	93.8	Very high	95.2	Very high	97 Å²	97	51.4 Å²	51.4	50%	0.497	27%	0.271	S	S	.	.	S	Bend	trans	-99.1	-19	-177	-47.1	-159.9	0	0	0	111.3	H129 H135	H129-I133 VanDerWaalsContact CE1-CD1 3.46Å; H129-I133 WeakPolarHBondContact CE1-CD1 3.42Å; H129-I133 WeakPolarHBondContact ND1-CD1 3.4Å; H129-I133 WeakPolarHBondContact O-CB 3.43Å; H129-I133 PolarHBondContact O-N 3.39Å; H129-I133 VanDerWaalsContact O-N 3.13Å; I133-H135 VanDerWaalsContact C-N 3.34Å; I133-H135 WeakPolarHBondContact CG2-NE2 3.29Å
134	G	93.5	Very high	95.4	Very high	32 Å²	32	45.9 Å²	45.9	33%	0.33	24%	0.241	S	C	.	.			trans	79.2	15	-175.7	0	0	0	0	0	113.8	S130 R136	S130-G134 CarbonylContact O-C 3.57Å; S130-G134 WeakPolarHBondContact O-CA 3.37Å; S130-G134 PolarHBondContact O-N 3.04Å; S130-G134 VanDerWaalsContact O-N 3.15Å; G134-R136 PolarHBondContact O-N 3Å
135	H	96.6	Very high	95.4	Very high	39 Å²	39	50.1 Å²	50.1	18%	0.181	25%	0.253	C	S	.	.			trans	-84.4	106.8	176.4	-68.1	-178.7	0	0	0	110.4	C110 V112 C113 H129 S130 I133 F138	C110-H135 WeakPolarHBondContact SG-CB 3.44Å; V112-H135 HydrophobicContact CB-CB 4.03Å; V112-H135 WeakPolarHBondContact CG1-NE2 3.45Å; V112-H135 HydrophobicContact CG2-CB 4.02Å; C113-H135 PolarHBondContact SG-ND1 2.82Å; H129-H135 AromaticContact CE1-ND1 3.85Å; H129-H135 AromaticContact NE2-CG 3.87Å; H129-H135 AromaticContact NE2-ND1 3.37Å; H129-H135 PolarHBondContact NE2-ND1 2.87Å; S130-H135 VanDerWaalsContact CA-O 3.24Å; S130-H135 WeakPolarHBondContact CA-O 3.46Å; S130-H135 WeakPolarHBondContact CB-O 3.24Å; I133-H135 VanDerWaalsContact C-N 3.34Å; I133-H135 WeakPolarHBondContact CG2-NE2 3.29Å; H135-F138 WeakPolarHBondContact O-CE2 3.38Å; H135-F138 VanDerWaalsContact O-CZ 3.24Å; H135-F138 WeakPolarHBondContact O-CZ 3.27Å
136	R	95.1	Very high	95.4	Very high	89 Å²	89	47.3 Å²	47.3	34%	0.336	24%	0.24	S	C	.	.			trans	-97.7	-16.2	-166.1	-62.8	-169.3	178.4	100.2	1.2	116.2	Y81 G134 F138 C148 L149	Y81-R136 HydrophobicContact CD2-CB 3.93Å; Y81-R136 HydrophobicContact CD2-CG 4.5Å; Y81-R136 HydrophobicContact CE2-CB 4.37Å; Y81-R136 VanDerWaalsContact CE2-CD 3.4Å; Y81-R136 HydrophobicContact CG-CB 4.04Å; G134-R136 PolarHBondContact O-N 3Å; R136-F138 WeakPolarHBondContact O-CD2 3.49Å; R136-C148 CarbonylContact O-C 3.46Å; R136-C148 VanDerWaalsContact O-CA 3.24Å; R136-C148 WeakPolarHBondContact O-CA 3.26Å; R136-L149 WeakPolarHBondContact CA-O 3.28Å; R136-L149 WeakPolarHBondContact CB-O 3.45Å; R136-L149 VanDerWaalsContact CG-O 3.27Å; R136-L149 WeakPolarHBondContact CG-O 3.44Å; R136-L149 PolarHBondContact O-N 2.89Å
137	V	96.1	Very high	95.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.1	-173.5	-169.6	0	0	0	0	111.3	Y81 I85 L111 I155	Y81-V137 WeakPolarHBondContact O-CG2 3.39Å; I85-V137 HydrophobicContact CD1-CG1 4.04Å; I85-V137 HydrophobicContact CG1-CB 4.3Å; I85-V137 HydrophobicContact CG1-CG1 4.21Å; I85-V137 HydrophobicContact CG1-CG2 4.42Å; L111-V137 HydrophobicContact CB-CB 4.34Å; L111-V137 HydrophobicContact CB-CG1 4.27Å; L111-V137 HydrophobicContact CD1-CG1 3.65Å; L111-V137 HydrophobicContact CG-CG1 4.17Å; L111-V137 PolarHBondContact N-O 3.38Å; V137-I155 HydrophobicContact CG1-CD1 3.78Å
138	F	97.3	Very high	95.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	151.3	-177.4	-63.8	-96.9	0	0	0	112.2	Y108 A109 C110 F117 A126 H129 H135 R136 F146 Y147 L149	Y108-F138 HydrophobicContact CD1-CB 4.16Å; A109-F138 CarbonylContact O-C 3.52Å; A109-F138 VanDerWaalsContact O-CA 3.28Å; A109-F138 WeakPolarHBondContact O-CA 3.23Å; C110-F138 HydrophobicContact CB-CD1 4.06Å; C110-F138 HydrophobicContact CB-CE1 3.81Å; F117-F138 HydrophobicContact CD2-CE1 4.26Å; A126-F138 HydrophobicContact CB-CD1 4.08Å; A126-F138 HydrophobicContact CB-CE1 3.87Å; A126-F138 HydrophobicContact CB-CZ 4.43Å; A126-F138 VanDerWaalsContact O-CZ 3.3Å; A126-F138 WeakPolarHBondContact O-CZ 3.19Å; H129-F138 AromaticContact CD2-CE1 3.89Å; H129-F138 AromaticContact CD2-CZ 3.79Å; H135-F138 WeakPolarHBondContact O-CE2 3.38Å; H135-F138 VanDerWaalsContact O-CZ 3.24Å; H135-F138 WeakPolarHBondContact O-CZ 3.27Å; R136-F138 WeakPolarHBondContact O-CD2 3.49Å; F138-F146 CarbonylContact O-C 3.5Å; F138-F146 VanDerWaalsContact O-CA 3.29Å; F138-F146 WeakPolarHBondContact O-CA 3.34Å; F138-Y147 PolarHBondContact N-O 2.85Å; F138-Y147 PolarHBondContact O-N 3.25Å; F138-L149 HydrophobicContact CD2-CB 3.9Å; F138-L149 HydrophobicContact CD2-CD1 3.71Å; F138-L149 HydrophobicContact CD2-CG 3.82Å; F138-L149 HydrophobicContact CE2-CB 3.74Å; F138-L149 HydrophobicContact CE2-CD1 3.9Å; F138-L149 HydrophobicContact CE2-CG 4.11Å; F138-L149 HydrophobicContact CG-CD1 4.09Å; F138-L149 HydrophobicContact CZ-CD1 4.38Å
139	L	97	Very high	95.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124	173	168.6	59.9	0	0	0	109.5	F92 Y108 A109 L111 L141 F146 I163 L167	F92-L139 HydrophobicContact CE1-CD2 4.45Å; F92-L139 HydrophobicContact CZ-CD2 4.04Å; Y108-L139 CarbonylContact C-O 3.58Å; Y108-L139 VanDerWaalsContact CA-O 3.23Å; Y108-L139 WeakPolarHBondContact CA-O 3.38Å; A109-L139 PolarHBondContact N-O 3.05Å; A109-L139 PolarHBondContact O-N 2.56Å; L111-L139 HydrophobicContact CD2-CB 3.87Å; L111-L139 HydrophobicContact CG-CB 4.43Å; L139-L141 PolarHBondContact O-N 2.9Å; L139-F146 HydrophobicContact CB-CD1 3.8Å; L139-F146 HydrophobicContact CB-CE1 3.77Å; L139-F146 HydrophobicContact CD1-CD1 3.8Å; L139-F146 HydrophobicContact CD1-CE1 3.61Å; L139-F146 HydrophobicContact CD1-CG 4.38Å; L139-F146 HydrophobicContact CD1-CZ 4.02Å; L139-F146 HydrophobicContact CD2-CE1 3.95Å; L139-F146 HydrophobicContact CD2-CZ 4.46Å; L139-F146 HydrophobicContact CG-CD1 4.3Å; L139-F146 HydrophobicContact CG-CE1 3.98Å; L139-I163 HydrophobicContact CD2-CG2 3.87Å; L139-L167 HydrophobicContact CD2-CD2 3.75Å; L139-L167 HydrophobicContact CG-CD2 4.3Å
140	N	96.6	Very high	95.1	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.027	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	121	169	-175.6	-54.3	0	0	0	109.5	Y108 Q142 T143 L144 R145 Y147	Y108-N140 HydrophobicContact CD1-CB 3.99Å; Y108-N140 HydrophobicContact CE1-CB 3.65Å; Y108-N140 PolarHBondContact OH-ND2 2.83Å; N140-Q142 PolarHBondContact O-N 3.4Å; N140-Q142 WeakPolarHBondContact OD1-CA 3.42Å; N140-Q142 PolarHBondContact OD1-N 2.91Å; N140-T143 WeakPolarHBondContact CB-OG1 3.08Å; N140-T143 VanDerWaalsContact CG-OG1 3.25Å; N140-T143 PolarHBondContact OD1-N 3.46Å; N140-T143 PolarHBondContact OD1-OG1 3.09Å; N140-L144 WeakPolarHBondContact O-CA 3.23Å; N140-L144 PolarHBondContact O-N 3.05Å; N140-R145 PolarHBondContact N-O 3.28Å; N140-Y147 HydrophobicContact CB-CE2 4.32Å
141	L	94.5	Very high	94.9	Very high	12 Å²	12	47.7 Å²	47.7	6%	0.063	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.1	-173.8	-66.4	-178.8	0	0	0	114.2	F92 K96 V107 A109 Y116 L139 L167	F92-L141 HydrophobicContact CD1-CD2 4.23Å; F92-L141 HydrophobicContact CE1-CD2 4.15Å; K96-L141 HydrophobicContact CB-CD1 3.91Å; K96-L141 HydrophobicContact CG-CD1 4.11Å; V107-L141 HydrophobicContact CB-CD1 4.2Å; V107-L141 HydrophobicContact CG1-CD1 3.71Å; V107-L141 PolarHBondContact O-N 2.94Å; A109-L141 HydrophobicContact CB-CD2 3.72Å; A109-L141 HydrophobicContact CB-CG 4.26Å; Y116-L141 HydrophobicContact CD1-CD1 4.14Å; Y116-L141 HydrophobicContact CD2-CD1 3.99Å; Y116-L141 HydrophobicContact CE1-CD1 4.27Å; Y116-L141 HydrophobicContact CE2-CD1 4.07Å; Y116-L141 HydrophobicContact CG-CD1 4.03Å; L139-L141 PolarHBondContact O-N 2.9Å; L141-L167 HydrophobicContact CD2-CD1 3.99Å; L141-L167 HydrophobicContact CD2-CD2 3.7Å
142	Q	92.3	Very high	94.8	Very high	146 Å²	146	45.8 Å²	45.8	68%	0.682	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-46.4	179.3	-179.4	176	-18	0	0	112.1	N140	N140-Q142 PolarHBondContact O-N 3.4Å; N140-Q142 WeakPolarHBondContact OD1-CA 3.42Å; N140-Q142 PolarHBondContact OD1-N 2.91Å
143	T	93.5	Very high	94.7	Very high	68 Å²	68	41.2 Å²	41.2	42%	0.417	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-11.7	-176.4	69.1	0	0	0	0	113.6	N140 R145	N140-T143 WeakPolarHBondContact CB-OG1 3.08Å; N140-T143 VanDerWaalsContact CG-OG1 3.25Å; N140-T143 PolarHBondContact OD1-N 3.46Å; N140-T143 PolarHBondContact OD1-OG1 3.09Å; T143-R145 PolarHBondContact O-N 3.47Å; T143-R145 PolarHBondContact OG1-N 3.34Å
144	L	94.3	Very high	94.8	Very high	37 Å²	37	39.1 Å²	39.1	19%	0.194	19%	0.194	C	C	.	.			trans	57.5	27.1	-174.3	-50.2	179.6	0	0	0	113.5	N140 K164 L167 Q168	N140-L144 WeakPolarHBondContact O-CA 3.23Å; N140-L144 PolarHBondContact O-N 3.05Å; L144-K164 WeakPolarHBondContact O-CE 3.36Å; L144-L167 HydrophobicContact CD2-CD2 3.38Å; L144-L167 HydrophobicContact CD2-CG 3.98Å; L144-Q168 HydrophobicContact CD1-CB 4.37Å
145	R	95.6	Very high	94.8	Very high	123 Å²	123	37.8 Å²	37.8	46%	0.464	18%	0.179	S	C	.	.			trans	-99.2	140.9	176.6	-64.9	-177.7	-175.5	171.2	0.3	110.9	N140 T143 Y147 E154	N140-R145 PolarHBondContact N-O 3.28Å; T143-R145 PolarHBondContact O-N 3.47Å; T143-R145 PolarHBondContact OG1-N 3.34Å; R145-Y147 HydrophobicContact CB-CD2 4.45Å; R145-Y147 HydrophobicContact CB-CE2 3.6Å; R145-Y147 WeakPolarHBondContact CD-OH 3.31Å; R145-E154 WeakPolarHBondContact CD-OE1 3.46Å
146	F	96.4	Very high	94.6	Very high	2 Å²	2	40 Å²	40	1%	0.009	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	141.3	179.2	-64.3	-73.9	0	0	0	110.6	L111 F138 L139 E154 I155 L160 I163 K164	L111-F146 HydrophobicContact CD1-CD1 3.77Å; L111-F146 HydrophobicContact CD1-CE1 3.68Å; F138-F146 CarbonylContact O-C 3.5Å; F138-F146 VanDerWaalsContact O-CA 3.29Å; F138-F146 WeakPolarHBondContact O-CA 3.34Å; L139-F146 HydrophobicContact CB-CD1 3.8Å; L139-F146 HydrophobicContact CB-CE1 3.77Å; L139-F146 HydrophobicContact CD1-CD1 3.8Å; L139-F146 HydrophobicContact CD1-CE1 3.61Å; L139-F146 HydrophobicContact CD1-CG 4.38Å; L139-F146 HydrophobicContact CD1-CZ 4.02Å; L139-F146 HydrophobicContact CD2-CE1 3.95Å; L139-F146 HydrophobicContact CD2-CZ 4.46Å; L139-F146 HydrophobicContact CG-CD1 4.3Å; L139-F146 HydrophobicContact CG-CE1 3.98Å; F146-E154 CarbonylContact O-C 3.59Å; F146-E154 WeakPolarHBondContact O-CA 3.4Å; F146-E154 WeakPolarHBondContact O-CG 3.16Å; F146-I155 HydrophobicContact CB-CB 3.85Å; F146-I155 PolarHBondContact O-N 2.73Å; F146-L160 HydrophobicContact CB-CD1 4.19Å; F146-L160 HydrophobicContact CD1-CD1 4.1Å; F146-L160 HydrophobicContact CD2-CB 3.89Å; F146-L160 HydrophobicContact CD2-CD1 3.58Å; F146-L160 HydrophobicContact CD2-CG 4.4Å; F146-L160 HydrophobicContact CE1-CB 4.25Å; F146-L160 HydrophobicContact CE1-CD1 4.36Å; F146-L160 HydrophobicContact CE2-CB 3.25Å; F146-L160 HydrophobicContact CE2-CD1 3.85Å; F146-L160 HydrophobicContact CE2-CG 4.18Å; F146-L160 HydrophobicContact CG-CD1 3.71Å; F146-L160 HydrophobicContact CZ-CB 3.51Å; F146-L160 HydrophobicContact CZ-CD1 4.27Å; F146-L160 HydrophobicContact CZ-CG 4.44Å; F146-L160 WeakPolarHBondContact CZ-O 3.21Å; F146-I163 HydrophobicContact CE1-CB 4.46Å; F146-I163 HydrophobicContact CE1-CG2 4.15Å; F146-I163 HydrophobicContact CZ-CB 4.16Å; F146-I163 HydrophobicContact CZ-CG2 4.25Å; F146-K164 HydrophobicContact CE2-CD 3.93Å; F146-K164 HydrophobicContact CE2-CG 3.55Å; F146-K164 HydrophobicContact CZ-CG 3.66Å
147	Y	96.4	Very high	94.5	Very high	13 Å²	13	38 Å²	38	5%	0.051	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.7	-178.8	-68.4	-82.2	0	0	0	110.9	Y108 R120 F138 N140 R145 Y153 E154	Y108-Y147 HydrophobicContact CD1-CD2 4.4Å; Y108-Y147 AromaticContact CE1-CD2 3.63Å; Y108-Y147 HydrophobicContact CE1-CD2 3.63Å; Y108-Y147 HydrophobicContact CE1-CE2 4.1Å; Y108-Y147 HydrophobicContact CE1-CG 4.38Å; R120-Y147 PolarHBondContact NH1-OH 3.25Å; F138-Y147 PolarHBondContact N-O 2.85Å; F138-Y147 PolarHBondContact O-N 3.25Å; N140-Y147 HydrophobicContact CB-CE2 4.32Å; R145-Y147 HydrophobicContact CB-CD2 4.45Å; R145-Y147 HydrophobicContact CB-CE2 3.6Å; R145-Y147 WeakPolarHBondContact CD-OH 3.31Å; Y147-Y153 WeakPolarHBondContact CA-O 3.41Å; Y147-E154 HydrophobicContact CD1-CB 4.27Å; Y147-E154 HydrophobicContact CE1-CB 3.88Å; Y147-E154 HydrophobicContact CE1-CG 4.34Å
148	C	95.9	Very high	94.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.4	165.1	-171.4	0	0	0	0	108.6	Y81 R136 N152 Y153 I155	Y81-C148 VanDerWaalsContact CD2-SG 3.53Å; R136-C148 CarbonylContact O-C 3.46Å; R136-C148 VanDerWaalsContact O-CA 3.24Å; R136-C148 WeakPolarHBondContact O-CA 3.26Å; C148-N152 WeakPolarHBondContact O-CA 3.5Å; C148-N152 PolarHBondContact O-N 3.37Å; C148-Y153 HydrophobicContact CB-CD1 3.9Å; C148-Y153 HydrophobicContact CB-CD2 3.99Å; C148-Y153 HydrophobicContact CB-CE1 3.46Å; C148-Y153 VanDerWaalsContact CB-CE1 3.46Å; C148-Y153 HydrophobicContact CB-CE2 3.55Å; C148-Y153 HydrophobicContact CB-CG 4.14Å; C148-Y153 PolarHBondContact N-O 3.36Å; C148-Y153 PolarHBondContact O-N 3.15Å; C148-Y153 PolarHBondContact SG-OH 3.22Å; C148-I155 HydrophobicContact CB-CD1 4.02Å; C148-I155 HydrophobicContact CB-CG1 4.2Å
149	L	94.7	Very high	94	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	144.4	170.5	-57.9	177.2	0	0	0	108.5	R120 A126 S130 R136 F138 N152	R120-L149 HydrophobicContact CB-CD1 4.28Å; R120-L149 HydrophobicContact CB-CD2 4.07Å; A126-L149 HydrophobicContact CB-CD1 3.84Å; S130-L149 WeakPolarHBondContact OG-CB 3.31Å; R136-L149 WeakPolarHBondContact CA-O 3.28Å; R136-L149 WeakPolarHBondContact CB-O 3.45Å; R136-L149 VanDerWaalsContact CG-O 3.27Å; R136-L149 WeakPolarHBondContact CG-O 3.44Å; R136-L149 PolarHBondContact O-N 2.89Å; F138-L149 HydrophobicContact CD2-CB 3.9Å; F138-L149 HydrophobicContact CD2-CD1 3.71Å; F138-L149 HydrophobicContact CD2-CG 3.82Å; F138-L149 HydrophobicContact CE2-CB 3.74Å; F138-L149 HydrophobicContact CE2-CD1 3.9Å; F138-L149 HydrophobicContact CE2-CG 4.11Å; F138-L149 HydrophobicContact CG-CD1 4.09Å; F138-L149 HydrophobicContact CZ-CD1 4.38Å; L149-N152 HydrophobicContact CD2-CB 4.14Å
150	P	92.9	Very high	93.8	Very high	35 Å²	35	45.4 Å²	45.4	23%	0.227	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82	-7.9	8.5	32.3	-36.4	0	0	0	115.2	Y127 V131 N152	Y127-P150 HydrophobicContact CD2-CB 4.23Å; Y127-P150 HydrophobicContact CE1-CB 4.39Å; Y127-P150 HydrophobicContact CE2-CB 3.54Å; V131-P150 HydrophobicContact CG2-CB 3.92Å; V131-P150 HydrophobicContact CG2-CG 4.17Å; P150-N152 PolarHBondContact O-N 3.38Å; P150-N152 VanDerWaalsContact O-N 3.08Å
151	D	91	Very high	93.6	Very high	92 Å²	92	49.2 Å²	49.2	49%	0.492	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.8	-173.8	-57.1	-28.6	0	0	0	114.5	Y153	D151-Y153 HydrophobicContact CB-CD1 3.62Å; D151-Y153 HydrophobicContact CB-CE1 3.62Å; D151-Y153 PolarHBondContact O-N 2.83Å
152	N	92.4	Very high	93.5	Very high	42 Å²	42	50.6 Å²	50.6	23%	0.225	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	46.1	173.2	-160.9	23.3	0	0	0	116.1	H73 C148 L149 P150	H73-N152 PolarHBondContact ND1-O 2.89Å; C148-N152 WeakPolarHBondContact O-CA 3.5Å; C148-N152 PolarHBondContact O-N 3.37Å; L149-N152 HydrophobicContact CD2-CB 4.14Å; P150-N152 PolarHBondContact O-N 3.38Å; P150-N152 VanDerWaalsContact O-N 3.08Å
153	Y	93.3	Very high	93.7	Very high	34 Å²	34	43.7 Å²	43.7	13%	0.133	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	150.8	170.5	64.1	-98.2	0	0	0	112.5	K74 C79 Y147 C148 D151 I155	K74-Y153 WeakPolarHBondContact O-CB 3.21Å; C79-Y153 HydrophobicContact CB-CE2 4.09Å; C79-Y153 PolarHBondContact SG-OH 2.7Å; Y147-Y153 WeakPolarHBondContact CA-O 3.41Å; C148-Y153 HydrophobicContact CB-CD1 3.9Å; C148-Y153 HydrophobicContact CB-CD2 3.99Å; C148-Y153 HydrophobicContact CB-CE1 3.46Å; C148-Y153 VanDerWaalsContact CB-CE1 3.46Å; C148-Y153 HydrophobicContact CB-CE2 3.55Å; C148-Y153 HydrophobicContact CB-CG 4.14Å; C148-Y153 PolarHBondContact N-O 3.36Å; C148-Y153 PolarHBondContact O-N 3.15Å; C148-Y153 PolarHBondContact SG-OH 3.22Å; D151-Y153 HydrophobicContact CB-CD1 3.62Å; D151-Y153 HydrophobicContact CB-CE1 3.62Å; D151-Y153 PolarHBondContact O-N 2.83Å; Y153-I155 HydrophobicContact CD2-CG1 4.22Å; Y153-I155 HydrophobicContact CE2-CG1 3.85Å
154	E	95.3	Very high	93.7	Very high	53 Å²	53	43.9 Å²	43.9	25%	0.248	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	132.8	173.9	-175.8	169.9	171.4	0	0	110.6	A75 S76 R145 F146 Y147 I156	A75-E154 WeakPolarHBondContact CA-O 3.11Å; S76-E154 PolarHBondContact N-O 2.96Å; R145-E154 WeakPolarHBondContact CD-OE1 3.46Å; F146-E154 CarbonylContact O-C 3.59Å; F146-E154 WeakPolarHBondContact O-CA 3.4Å; F146-E154 WeakPolarHBondContact O-CG 3.16Å; Y147-E154 HydrophobicContact CD1-CB 4.27Å; Y147-E154 HydrophobicContact CE1-CB 3.88Å; Y147-E154 HydrophobicContact CE1-CG 4.34Å; E154-I156 HydrophobicContact CG-CG1 4.34Å
155	I	93.7	Very high	93.7	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	118.4	178.6	-57.4	167.9	0	0	0	108.4	C79 L82 V137 F146 C148 Y153 D157 L160	C79-I155 HydrophobicContact CB-CD1 4.29Å; C79-I155 HydrophobicContact CB-CG1 4.1Å; C79-I155 HydrophobicContact CB-CG2 4.02Å; L82-I155 HydrophobicContact CD2-CG2 3.89Å; V137-I155 HydrophobicContact CG1-CD1 3.78Å; F146-I155 HydrophobicContact CB-CB 3.85Å; F146-I155 PolarHBondContact O-N 2.73Å; C148-I155 HydrophobicContact CB-CD1 4.02Å; C148-I155 HydrophobicContact CB-CG1 4.2Å; Y153-I155 HydrophobicContact CD2-CG1 4.22Å; Y153-I155 HydrophobicContact CE2-CG1 3.85Å; I155-D157 HydrophobicContact CG2-CB 4.39Å; I155-L160 HydrophobicContact CG2-CD1 3.91Å
156	I	93	Very high	93.7	Very high	86 Å²	86	38.5 Å²	38.5	44%	0.441	21%	0.209	S	C	.	.			trans	-112.6	98.2	175.6	-56	-178.8	0	0	0	108.7	A75 S76 E154	A75-I156 HydrophobicContact CB-CD1 3.58Å; A75-I156 HydrophobicContact CB-CG1 4.18Å; S76-I156 PolarHBondContact O-N 3.36Å; S76-I156 VanDerWaalsContact O-N 3.1Å; E154-I156 HydrophobicContact CG-CG1 4.34Å
157	D	91.6	Very high	93.5	Very high	47 Å²	47	38.9 Å²	38.9	25%	0.251	21%	0.211	S	C	.	.			trans	-140.3	135.8	179	-163.6	-63.3	0	0	0	110.8	L82 I155 S159 L160	L82-D157 HydrophobicContact CD1-CB 4.14Å; L82-D157 VanDerWaalsContact CD1-OD2 3.27Å; L82-D157 WeakPolarHBondContact CD1-OD2 3.36Å; I155-D157 HydrophobicContact CG2-CB 4.39Å; D157-S159 VanDerWaalsContact C-N 3.33Å; D157-S159 WeakPolarHBondContact OD1-CB 3.36Å; D157-S159 PolarHBondContact OD1-N 2.75Å; D157-S159 PolarHBondContact OD1-OG 2.59Å; D157-L160 HydrophobicContact CB-CD1 4.16Å; D157-L160 HydrophobicContact CB-CG 4.2Å
158	S	91.5	Very high	93.4	Very high	96 Å²	96	41.2 Å²	41.2	67%	0.671	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-74.7	-22.3	-178.5	56.8	0	0	0	0	113.2	L160 N161	S158-L160 PolarHBondContact O-N 2.94Å; S158-N161 WeakPolarHBondContact O-CB 3.47Å; S158-N161 VanDerWaalsContact O-CG 3.3Å; S158-N161 PolarHBondContact O-N 3.28Å; S158-N161 PolarHBondContact O-ND2 2.83Å; S158-N161 VanDerWaalsContact O-ND2 3.17Å
159	S	91.4	Very high	93.3	Very high	58 Å²	58	41.3 Å²	41.3	41%	0.406	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-66.8	-12.8	176.3	68.8	0	0	0	0	113.5	R87 D157	R87-S159 PolarHBondContact NH2-O 3.35Å; D157-S159 VanDerWaalsContact C-N 3.33Å; D157-S159 WeakPolarHBondContact OD1-CB 3.36Å; D157-S159 PolarHBondContact OD1-N 2.75Å; D157-S159 PolarHBondContact OD1-OG 2.59Å
160	L	93.1	Very high	93.3	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-96	-0.3	178.8	-53.2	178.7	0	0	0	113.1	L82 I85 F146 I155 D157 S158 D162 I163 K164	L82-L160 HydrophobicContact CD2-CD1 4.04Å; L82-L160 HydrophobicContact CD2-CD2 4.28Å; I85-L160 HydrophobicContact CD1-CD2 3.4Å; I85-L160 VanDerWaalsContact CD1-CD2 3.4Å; F146-L160 HydrophobicContact CB-CD1 4.19Å; F146-L160 HydrophobicContact CD1-CD1 4.1Å; F146-L160 HydrophobicContact CD2-CB 3.89Å; F146-L160 HydrophobicContact CD2-CD1 3.58Å; F146-L160 HydrophobicContact CD2-CG 4.4Å; F146-L160 HydrophobicContact CE1-CB 4.25Å; F146-L160 HydrophobicContact CE1-CD1 4.36Å; F146-L160 HydrophobicContact CE2-CB 3.25Å; F146-L160 HydrophobicContact CE2-CD1 3.85Å; F146-L160 HydrophobicContact CE2-CG 4.18Å; F146-L160 HydrophobicContact CG-CD1 3.71Å; F146-L160 HydrophobicContact CZ-CB 3.51Å; F146-L160 HydrophobicContact CZ-CD1 4.27Å; F146-L160 HydrophobicContact CZ-CG 4.44Å; F146-L160 WeakPolarHBondContact CZ-O 3.21Å; I155-L160 HydrophobicContact CG2-CD1 3.91Å; D157-L160 HydrophobicContact CB-CD1 4.16Å; D157-L160 HydrophobicContact CB-CG 4.2Å; S158-L160 PolarHBondContact O-N 2.94Å; L160-D162 PolarHBondContact O-N 2.75Å; L160-I163 HydrophobicContact CD2-CD1 4.08Å; L160-I163 PolarHBondContact O-N 3.22Å; L160-K164 PolarHBondContact O-N 3.08Å; L160-K164 VanDerWaalsContact O-N 3.17Å
161	N	93	Very high	93.3	Very high	85 Å²	85	44.8 Å²	44.8	46%	0.455	24%	0.241	S	C	.	.	H	α-helix	trans	-64.1	-30.1	-179.9	-74.9	-25.8	0	0	0	112.3	S158 I163 K164 F165	S158-N161 WeakPolarHBondContact O-CB 3.47Å; S158-N161 VanDerWaalsContact O-CG 3.3Å; S158-N161 PolarHBondContact O-N 3.28Å; S158-N161 PolarHBondContact O-ND2 2.83Å; S158-N161 VanDerWaalsContact O-ND2 3.17Å; N161-I163 VanDerWaalsContact C-N 3.35Å; N161-K164 PolarHBondContact O-N 3.29Å; N161-F165 VanDerWaalsContact O-CB 3.27Å; N161-F165 WeakPolarHBondContact O-CB 3.47Å; N161-F165 PolarHBondContact O-N 3.31Å
162	D	93.3	Very high	93.4	Very high	41 Å²	41	43 Å²	43	22%	0.219	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-41.2	173.7	63.7	-27	0	0	0	111.8	R87 L160 F165 L166 F264	R87-D162 IonicContact CZ-OD2 3.29Å; R87-D162 IonicContact NE-OD1 3.89Å; R87-D162 IonicContact NE-OD2 2.77Å; R87-D162 PolarHBondContact NE-OD2 2.92Å; R87-D162 IonicContact NH2-OD1 3.55Å; R87-D162 IonicContact NH2-OD2 3.58Å; L160-D162 PolarHBondContact O-N 2.75Å; D162-F165 PolarHBondContact O-N 3.27Å; D162-L166 WeakPolarHBondContact O-CB 3.48Å; D162-L166 PolarHBondContact O-N 2.81Å; D162-F264 HydrophobicContact CB-CE1 4.18Å; D162-F264 HydrophobicContact CB-CZ 4.45Å
163	I	95	Very high	93.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67.4	-42.4	176.4	-59.5	171.8	0	0	0	110.6	I85 L90 F92 L111 L139 F146 L160 N161 F165 L166 L167 F264	I85-I163 HydrophobicContact CG2-CD1 3.84Å; L90-I163 HydrophobicContact CD1-CD1 3.93Å; L90-I163 HydrophobicContact CD1-CG1 4.06Å; L90-I163 HydrophobicContact CD1-CG2 4.06Å; F92-I163 HydrophobicContact CE2-CG2 3.85Å; F92-I163 HydrophobicContact CZ-CG2 3.84Å; L111-I163 HydrophobicContact CD1-CD1 4.08Å; L111-I163 HydrophobicContact CD2-CG2 4.15Å; L139-I163 HydrophobicContact CD2-CG2 3.87Å; F146-I163 HydrophobicContact CE1-CB 4.46Å; F146-I163 HydrophobicContact CE1-CG2 4.15Å; F146-I163 HydrophobicContact CZ-CB 4.16Å; F146-I163 HydrophobicContact CZ-CG2 4.25Å; L160-I163 HydrophobicContact CD2-CD1 4.08Å; L160-I163 PolarHBondContact O-N 3.22Å; N161-I163 VanDerWaalsContact C-N 3.35Å; I163-F165 VanDerWaalsContact C-N 3.31Å; I163-F165 PolarHBondContact O-N 3.3Å; I163-L166 PolarHBondContact O-N 3.3Å; I163-L167 PolarHBondContact O-N 3.45Å; I163-L167 VanDerWaalsContact O-N 3.08Å; I163-F264 HydrophobicContact CG1-CE2 4.11Å; I163-F264 HydrophobicContact CG1-CZ 3.78Å
164	K	94.5	Very high	93.3	Very high	72 Å²	72	52.6 Å²	52.6	31%	0.313	28%	0.279	S	S	.	.	H	α-helix	trans	-59.3	-45.7	173.7	-68	-176	-179.6	-174.8	0	110.9	L144 F146 L160 N161 L166 L167 Q168	L144-K164 WeakPolarHBondContact O-CE 3.36Å; F146-K164 HydrophobicContact CE2-CD 3.93Å; F146-K164 HydrophobicContact CE2-CG 3.55Å; F146-K164 HydrophobicContact CZ-CG 3.66Å; L160-K164 PolarHBondContact O-N 3.08Å; L160-K164 VanDerWaalsContact O-N 3.17Å; N161-K164 PolarHBondContact O-N 3.29Å; K164-L166 VanDerWaalsContact C-N 3.34Å; K164-L167 PolarHBondContact O-N 3Å; K164-Q168 PolarHBondContact O-N 3.31Å
165	F	94.3	Very high	93.2	Very high	32 Å²	32	54.7 Å²	54.7	14%	0.14	29%	0.288	C	S	.	.	H	α-helix	trans	-67	-35.4	-179.7	-165.1	-101.4	0	0	0	112.2	N161 D162 I163 Q168 P169 T170 N260 P261 Q262	N161-F165 VanDerWaalsContact O-CB 3.27Å; N161-F165 WeakPolarHBondContact O-CB 3.47Å; N161-F165 PolarHBondContact O-N 3.31Å; D162-F165 PolarHBondContact O-N 3.27Å; I163-F165 VanDerWaalsContact C-N 3.31Å; I163-F165 PolarHBondContact O-N 3.3Å; F165-Q168 CarbonylContact O-C 3.54Å; F165-Q168 VanDerWaalsContact O-C 3.3Å; F165-P169 HydrophobicContact CE1-CB 4.36Å; F165-P169 HydrophobicContact CZ-CB 4.38Å; F165-P169 WeakPolarHBondContact O-CA 3.32Å; F165-P169 VanDerWaalsContact O-CD 3.26Å; F165-P169 WeakPolarHBondContact O-CD 3.33Å; F165-P169 WeakPolarHBondContact O-CG 3.2Å; F165-T170 VanDerWaalsContact CE2-O 3.24Å; F165-T170 WeakPolarHBondContact CE2-O 3.26Å; F165-N260 WeakPolarHBondContact CD1-OD1 3.26Å; F165-N260 WeakPolarHBondContact CE1-OD1 3.35Å; F165-P261 HydrophobicContact CE1-CG 4.36Å; F165-Q262 HydrophobicContact CD1-CB 3.97Å; F165-Q262 HydrophobicContact CD1-CG 4.45Å; F165-Q262 HydrophobicContact CE1-CB 4.24Å; F165-Q262 HydrophobicContact CE1-CG 4.44Å
166	L	94.2	Very high	93.1	Very high	16 Å²	16	55.1 Å²	55.1	8%	0.084	29%	0.291	C	S	.	.	H	α-helix	trans	-64.2	-43.8	173.7	-173.8	73	0	0	0	112.1	F92 D162 I163 K164 F264	F92-L166 HydrophobicContact CD2-CB 4.2Å; F92-L166 HydrophobicContact CD2-CD2 3.71Å; F92-L166 HydrophobicContact CD2-CG 3.87Å; F92-L166 HydrophobicContact CE2-CB 4.37Å; F92-L166 HydrophobicContact CE2-CD2 3.86Å; F92-L166 HydrophobicContact CE2-CG 4.33Å; D162-L166 WeakPolarHBondContact O-CB 3.48Å; D162-L166 PolarHBondContact O-N 2.81Å; I163-L166 PolarHBondContact O-N 3.3Å; K164-L166 VanDerWaalsContact C-N 3.34Å; L166-F264 HydrophobicContact CD1-CB 4.47Å; L166-F264 HydrophobicContact CD1-CD1 4.45Å; L166-F264 HydrophobicContact CD1-CG 4.32Å; L166-F264 HydrophobicContact CD2-CB 4.15Å; L166-F264 HydrophobicContact CD2-CD1 4.13Å; L166-F264 HydrophobicContact CD2-CD2 3.23Å; L166-F264 HydrophobicContact CD2-CE1 4.35Å; L166-F264 HydrophobicContact CD2-CE2 3.47Å; L166-F264 VanDerWaalsContact CD2-CE2 3.47Å; L166-F264 HydrophobicContact CD2-CG 3.58Å; L166-F264 HydrophobicContact CD2-CZ 4.05Å
167	L	93.6	Very high	92.9	Very high	9 Å²	9	56.5 Å²	56.5	5%	0.047	30%	0.295	C	S	.	.	H	α-helix	trans	-67.3	-45.3	179.6	173.9	59	0	0	0	111.8	F92 L139 L141 L144 I163 K164	F92-L167 HydrophobicContact CB-CD1 3.79Å; F92-L167 HydrophobicContact CD1-CD1 3.92Å; F92-L167 HydrophobicContact CD2-CB 3.79Å; F92-L167 HydrophobicContact CD2-CD1 4.39Å; F92-L167 HydrophobicContact CE2-CB 4.07Å; F92-L167 HydrophobicContact CG-CB 4.07Å; F92-L167 HydrophobicContact CG-CD1 3.79Å; L139-L167 HydrophobicContact CD2-CD2 3.75Å; L139-L167 HydrophobicContact CG-CD2 4.3Å; L141-L167 HydrophobicContact CD2-CD1 3.99Å; L141-L167 HydrophobicContact CD2-CD2 3.7Å; L144-L167 HydrophobicContact CD2-CD2 3.38Å; L144-L167 HydrophobicContact CD2-CG 3.98Å; I163-L167 PolarHBondContact O-N 3.45Å; I163-L167 VanDerWaalsContact O-N 3.08Å; K164-L167 PolarHBondContact O-N 3Å
168	Q	92.9	Very high	92.9	Very high	62 Å²	62	60.8 Å²	60.8	29%	0.29	31%	0.312	S	S	.	.	S	Bend	trans	-138	87.7	178.7	-170.8	173.6	1	0	0	109.8	L144 K164 F165 T170 E230	L144-Q168 HydrophobicContact CD1-CB 4.37Å; K164-Q168 PolarHBondContact O-N 3.31Å; F165-Q168 CarbonylContact O-C 3.54Å; F165-Q168 VanDerWaalsContact O-C 3.3Å; Q168-T170 PolarHBondContact O-N 3.43Å; Q168-E230 PolarHBondContact NE2-OE2 3Å
169	P	94.9	Very high	92.7	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.019	29%	0.285	C	S	.	.			trans	-63.2	132.4	177.2	-17	27.1	0	0	0	109.7	F165 Y171 R256 K257 N260	F165-P169 HydrophobicContact CE1-CB 4.36Å; F165-P169 HydrophobicContact CZ-CB 4.38Å; F165-P169 WeakPolarHBondContact O-CA 3.32Å; F165-P169 VanDerWaalsContact O-CD 3.26Å; F165-P169 WeakPolarHBondContact O-CD 3.33Å; F165-P169 WeakPolarHBondContact O-CG 3.2Å; P169-Y171 HydrophobicContact CB-CE2 3.89Å; P169-R256 HydrophobicContact CB-CB 4.15Å; P169-R256 HydrophobicContact CG-CB 4.26Å; P169-R256 WeakPolarHBondContact O-CD 3.41Å; P169-K257 HydrophobicContact CG-CG 4.36Å; P169-N260 HydrophobicContact CB-CB 4.44Å; P169-N260 HydrophobicContact CG-CB 4.23Å
170	T	93.7	Very high	92.1	Very high	84 Å²	84	54.8 Å²	54.8	52%	0.515	27%	0.269	S	S	.	.			trans	-124.1	135.9	179.8	55.5	0	0	0	0	109.9	F165 Q168	F165-T170 VanDerWaalsContact CE2-O 3.24Å; F165-T170 WeakPolarHBondContact CE2-O 3.26Å; Q168-T170 PolarHBondContact O-N 3.43Å
171	Y	93.8	Very high	91.8	Very high	24 Å²	24	64.2 Å²	64.2	9%	0.094	31%	0.305	C	S	.	.			trans	-120.7	131.5	-177.4	-59.9	-95.8	0	0	0	110.6	P169 I176 L179 L228 R256 W259 N260	P169-Y171 HydrophobicContact CB-CE2 3.89Å; Y171-I176 HydrophobicContact CG-CG1 4.42Å; Y171-L179 HydrophobicContact CD1-CD2 4.33Å; Y171-L179 HydrophobicContact CE1-CD2 3.96Å; Y171-L228 HydrophobicContact CD2-CB 4.11Å; Y171-L228 HydrophobicContact CD2-CD2 3.84Å; Y171-L228 HydrophobicContact CD2-CG 4.46Å; Y171-L228 HydrophobicContact CE1-CD2 4.47Å; Y171-L228 HydrophobicContact CE2-CD2 3.57Å; Y171-L228 HydrophobicContact CG-CB 4.41Å; Y171-L228 HydrophobicContact CG-CD2 4.42Å; Y171-R256 HydrophobicContact CD2-CG 4.28Å; Y171-R256 HydrophobicContact CE2-CB 4.06Å; Y171-R256 HydrophobicContact CE2-CG 3.95Å; Y171-R256 PolarHBondContact OH-O 3.28Å; Y171-W259 PolarHBondContact OH-O 2.84Å; Y171-N260 WeakPolarHBondContact OH-CA 3.42Å; Y171-N260 PolarHBondContact OH-N 2.79Å; Y171-N260 VanDerWaalsContact OH-N 3.12Å
172	S	93.6	Very high	91.6	Very high	55 Å²	55	62.2 Å²	62.2	39%	0.385	30%	0.298	S	S	.	.			trans	-75.8	159.9	164.8	67.1	0	0	0	0	110.7	E174 E175 I176	S172-E174 VanDerWaalsContact C-N 3.27Å; S172-E174 PolarHBondContact O-N 2.6Å; S172-E175 VanDerWaalsContact CB-OE2 3.31Å; S172-E175 WeakPolarHBondContact CB-OE2 3.33Å; S172-E175 PolarHBondContact N-OE2 3.01Å; S172-E175 PolarHBondContact O-N 3.01Å; S172-E175 WeakPolarHBondContact OG-CB 3.15Å; S172-E175 WeakPolarHBondContact OG-CG 3.34Å; S172-E175 PolarHBondContact OG-N 2.97Å; S172-E175 PolarHBondContact OG-OE2 2.78Å; S172-I176 WeakPolarHBondContact O-CG1 3.24Å; S172-I176 PolarHBondContact O-N 3.01Å; S172-I176 VanDerWaalsContact O-N 3.07Å
173	F	90.7	Very high	91.5	Very high	152 Å²	152	64.7 Å²	64.7	67%	0.667	31%	0.314	S	S	*	.	H	α-helix	trans	-58.3	-39.8	178.5	-178.7	-103.6	0	0	0	112.5	I176 Q177	F173-I176 PolarHBondContact O-N 3.29Å; F173-Q177 HydrophobicContact CE1-CG 4.43Å; F173-Q177 WeakPolarHBondContact O-CG 3.31Å; F173-Q177 PolarHBondContact O-N 3.26Å
174	E	92.3	Very high	91.3	Very high	125 Å²	125	72.4 Å²	72.4	58%	0.584	35%	0.348	S	S	*	.	H	α-helix	trans	-67.4	-38.3	178.2	-63.9	-175.6	-166.7	0	0	112.7	S172 Q177 K178	S172-E174 VanDerWaalsContact C-N 3.27Å; S172-E174 PolarHBondContact O-N 2.6Å; E174-Q177 PolarHBondContact O-N 3.02Å; E174-K178 WeakPolarHBondContact O-CG 3.24Å; E174-K178 PolarHBondContact O-N 2.92Å; E174-K178 IonicContact OE2-NZ 3.62Å
175	E	92.6	Very high	91.2	Very high	96 Å²	96	72.7 Å²	72.7	45%	0.449	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-44.8	176.2	-74.2	163.2	147.9	0	0	110.8	S172 Q177 K178 L179	S172-E175 VanDerWaalsContact CB-OE2 3.31Å; S172-E175 WeakPolarHBondContact CB-OE2 3.33Å; S172-E175 PolarHBondContact N-OE2 3.01Å; S172-E175 PolarHBondContact O-N 3.01Å; S172-E175 WeakPolarHBondContact OG-CB 3.15Å; S172-E175 WeakPolarHBondContact OG-CG 3.34Å; S172-E175 PolarHBondContact OG-N 2.97Å; S172-E175 PolarHBondContact OG-OE2 2.78Å; E175-Q177 VanDerWaalsContact C-N 3.31Å; E175-Q177 PolarHBondContact O-N 2.87Å; E175-K178 PolarHBondContact O-N 3.03Å; E175-K178 VanDerWaalsContact O-N 3.14Å; E175-L179 VanDerWaalsContact O-CB 3.32Å; E175-L179 WeakPolarHBondContact O-CB 3.31Å; E175-L179 PolarHBondContact O-N 2.93Å
176	I	92.4	Very high	91.1	Very high	13 Å²	13	72 Å²	72	7%	0.067	35%	0.351	C	S	.	.	H	α-helix	trans	-57.3	-45.3	178.5	-66	171.6	0	0	0	110.8	Y171 S172 F173 K178 L179 D225 L228 C229	Y171-I176 HydrophobicContact CG-CG1 4.42Å; S172-I176 WeakPolarHBondContact O-CG1 3.24Å; S172-I176 PolarHBondContact O-N 3.01Å; S172-I176 VanDerWaalsContact O-N 3.07Å; F173-I176 PolarHBondContact O-N 3.29Å; I176-K178 VanDerWaalsContact C-N 3.33Å; I176-K178 PolarHBondContact O-N 2.92Å; I176-L179 PolarHBondContact O-N 3.05Å; I176-D225 HydrophobicContact CG2-CB 3.66Å; I176-D225 VanDerWaalsContact CG2-OD1 3.22Å; I176-D225 WeakPolarHBondContact CG2-OD1 3.3Å; I176-L228 HydrophobicContact CD1-CB 4.08Å; I176-L228 HydrophobicContact CG1-CB 4.29Å; I176-L228 HydrophobicContact CG1-CD1 4.16Å; I176-L228 HydrophobicContact CG2-CD1 4.35Å; I176-C229 HydrophobicContact CD1-CB 4.34Å
177	Q	88.8	Confident	91.1	Very high	115 Å²	115	80.1 Å²	80.1	54%	0.537	38%	0.381	S	S	.	.	H	α-helix	trans	-63	-38.1	178.6	-71.6	-171.9	-12.7	0	0	113.1	F173 E174 E175	F173-Q177 HydrophobicContact CE1-CG 4.43Å; F173-Q177 WeakPolarHBondContact O-CG 3.31Å; F173-Q177 PolarHBondContact O-N 3.26Å; E174-Q177 PolarHBondContact O-N 3.02Å; E175-Q177 VanDerWaalsContact C-N 3.31Å; E175-Q177 PolarHBondContact O-N 2.87Å
178	K	91.3	Very high	91.1	Very high	137 Å²	137	79.9 Å²	79.9	60%	0.596	38%	0.38	S	S	*	.	H	α-helix	trans	-77.5	-29.8	179.7	-69.8	170.7	-174.5	165.4	0	112.3	E174 E175 I176 G180 R181 S182	E174-K178 WeakPolarHBondContact O-CG 3.24Å; E174-K178 PolarHBondContact O-N 2.92Å; E174-K178 IonicContact OE2-NZ 3.62Å; E175-K178 PolarHBondContact O-N 3.03Å; E175-K178 VanDerWaalsContact O-N 3.14Å; I176-K178 VanDerWaalsContact C-N 3.33Å; I176-K178 PolarHBondContact O-N 2.92Å; K178-G180 PolarHBondContact O-N 2.86Å; K178-R181 PolarHBondContact O-N 2.96Å; K178-S182 PolarHBondContact O-N 3.35Å
179	L	87.4	Confident	90.9	Very high	20 Å²	20	81.7 Å²	81.7	11%	0.105	39%	0.387	C	S	.	.	H	α-helix	trans	-58.1	-43.8	-169.7	-165.2	63.9	0	0	0	112.9	Y171 E175 I176 R181 P196 L228 W259	Y171-L179 HydrophobicContact CD1-CD2 4.33Å; Y171-L179 HydrophobicContact CE1-CD2 3.96Å; E175-L179 VanDerWaalsContact O-CB 3.32Å; E175-L179 WeakPolarHBondContact O-CB 3.31Å; E175-L179 PolarHBondContact O-N 2.93Å; I176-L179 PolarHBondContact O-N 3.05Å; L179-R181 VanDerWaalsContact C-N 3.3Å; L179-R181 PolarHBondContact O-N 3.12Å; L179-P196 HydrophobicContact CD1-CB 4.09Å; L179-P196 HydrophobicContact CD1-CG 4.42Å; L179-L228 HydrophobicContact CD2-CD1 3.89Å; L179-W259 HydrophobicContact CD1-CE3 4.39Å; L179-W259 HydrophobicContact CD2-CB 3.98Å; L179-W259 HydrophobicContact CD2-CD2 4.12Å; L179-W259 HydrophobicContact CD2-CE3 3.53Å; L179-W259 HydrophobicContact CD2-CG 4.34Å; L179-W259 HydrophobicContact CD2-CZ3 4.35Å; L179-W259 HydrophobicContact CG-CE3 3.58Å; L179-W259 HydrophobicContact CG-CZ3 4Å
180	G	78.7	Confident	90.5	Very high	8 Å²	8	85.4 Å²	85.4	8%	0.082	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-19.6	178.7	0	0	0	0	0	114.8	K178 R497 G498	K178-G180 PolarHBondContact O-N 2.86Å; G180-R497 VanDerWaalsContact O-CB 3.22Å; G180-R497 WeakPolarHBondContact O-CB 3.49Å; G180-G498 PolarHBondContact O-N 3.35Å
181	R	87.1	Confident	90.4	Very high	199 Å²	199	83.1 Å²	83.1	75%	0.751	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-7.8	-177.2	-65.6	179.8	176.4	176.6	-2.9	112.9	K178 L179 T183	K178-R181 PolarHBondContact O-N 2.96Å; L179-R181 VanDerWaalsContact C-N 3.3Å; L179-R181 PolarHBondContact O-N 3.12Å; R181-T183 PolarHBondContact O-N 2.92Å
182	S	89.7	Confident	90.4	Very high	44 Å²	44	84.6 Å²	84.6	31%	0.308	41%	0.412	S	S	.	.			trans	-64	129.9	-178.3	-179.1	0	0	0	0	111.2	K178 K184 H496	K178-S182 PolarHBondContact O-N 3.35Å; S182-K184 PolarHBondContact OG-N 3.41Å; S182-H496 PolarHBondContact O-CE1 3.21Å
183	T	90.5	Very high	90.4	Very high	92 Å²	92	86.2 Å²	86.2	56%	0.564	42%	0.419	S	S	*	.			trans	-96.4	-1.2	170.4	53.4	0	0	0	0	112.5	R181 Y195 G498 T499	R181-T183 PolarHBondContact O-N 2.92Å; T183-Y195 WeakPolarHBondContact O-CE1 3.48Å; T183-G498 WeakPolarHBondContact CG2-O 3.27Å; T183-T499 HydrophobicContact CG2-CG2 4.24Å
184	K	90.9	Very high	90.6	Very high	162 Å²	162	79.5 Å²	79.5	70%	0.704	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-81.2	125.9	-175.2	-175.6	179.3	176.6	-176.1	0	110.8	S182	S182-K184 PolarHBondContact OG-N 3.41Å
185	L	91.8	Very high	90.7	Very high	78 Å²	78	75 Å²	75	41%	0.408	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-66.2	134.9	167.7	-77.3	164.9	0	0	0	110.4	Y195	L185-Y195 HydrophobicContact CD2-CD1 4.01Å; L185-Y195 HydrophobicContact CD2-CD2 3.63Å; L185-Y195 HydrophobicContact CD2-CE1 3.74Å; L185-Y195 HydrophobicContact CD2-CE2 3.32Å; L185-Y195 HydrophobicContact CD2-CG 3.96Å; L185-Y195 HydrophobicContact CG-CD1 4.48Å; L185-Y195 HydrophobicContact CG-CE1 3.85Å; L185-Y195 HydrophobicContact CG-CE2 4.08Å
186	S	92.8	Very high	90.8	Very high	17 Å²	17	71 Å²	71	12%	0.119	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	151.9	167.1	-63.2	0	0	0	0	109.1	T193 Y194 P196 P261	S186-T193 VanDerWaalsContact O-CA 3.3Å; S186-T193 WeakPolarHBondContact O-CA 3.41Å; S186-Y194 PolarHBondContact N-O 3.02Å; S186-Y194 PolarHBondContact O-N 3.34Å; S186-P196 WeakPolarHBondContact OG-CG 3.3Å; S186-P261 VanDerWaalsContact CB-O 3.29Å; S186-P261 WeakPolarHBondContact CB-O 3.47Å; S186-P261 PolarHBondContact OG-O 2.68Å
187	R	94.2	Very high	90.8	Very high	188 Å²	188	70.3 Å²	70.3	71%	0.709	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.2	179.9	176	175.5	149.3	-170.3	-4.8	108.5	T192	R187-T192 WeakPolarHBondContact CA-O 3.46Å
188	A	92.7	Very high	91.1	Very high	3 Å²	3	65 Å²	65	3%	0.025	32%	0.322	C	S	.	.			trans	-74.2	167.1	174.1	0	0	0	0	0	111.3	D190 G191 T192 Y194 N263	A188-D190 VanDerWaalsContact C-N 3.27Å; A188-D190 VanDerWaalsContact CB-OD1 3.23Å; A188-D190 WeakPolarHBondContact CB-OD1 3.44Å; A188-D190 PolarHBondContact O-N 3.41Å; A188-G191 PolarHBondContact O-N 3.15Å; A188-T192 WeakPolarHBondContact CB-OG1 3.44Å; A188-T192 PolarHBondContact N-O 3.43Å; A188-Y194 HydrophobicContact CB-CD1 4.25Å; A188-Y194 HydrophobicContact CB-CE1 3.84Å; A188-N263 VanDerWaalsContact CA-O 3.24Å; A188-N263 WeakPolarHBondContact CA-O 3.34Å
189	F	88.8	Confident	91.3	Very high	100 Å²	100	58.5 Å²	58.5	44%	0.439	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-34.4	-178.7	-173.3	-96.7	0	0	0	112.2	R87 Q88 G191 F264	R87-F189 HydrophobicContact CB-CD1 3.95Å; R87-F189 HydrophobicContact CB-CD2 4.13Å; R87-F189 HydrophobicContact CB-CE1 3.86Å; R87-F189 HydrophobicContact CB-CE2 4.04Å; R87-F189 HydrophobicContact CB-CG 4.09Å; R87-F189 HydrophobicContact CB-CZ 3.9Å; R87-F189 VanDerWaalsContact CD-CE2 3.42Å; R87-F189 HydrophobicContact CG-CE2 4.34Å; R87-F189 HydrophobicContact CG-CZ 4.48Å; Q88-F189 HydrophobicContact CG-CD1 3.89Å; Q88-F189 HydrophobicContact CG-CE1 3.78Å; F189-G191 PolarHBondContact O-N 2.87Å; F189-F264 HydrophobicContact CB-CB 4.05Å; F189-F264 HydrophobicContact CB-CD1 4.15Å; F189-F264 HydrophobicContact CB-CG 4.19Å; F189-F264 PolarHBondContact N-O 3.22Å; F189-F264 VanDerWaalsContact N-O 3.14Å
190	D	87.5	Confident	91.6	Very high	81 Å²	81	57.6 Å²	57.6	43%	0.433	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-4.2	174.3	64.6	5.8	0	0	0	114.4	A188 T192	A188-D190 VanDerWaalsContact C-N 3.27Å; A188-D190 VanDerWaalsContact CB-OD1 3.23Å; A188-D190 WeakPolarHBondContact CB-OD1 3.44Å; A188-D190 PolarHBondContact O-N 3.41Å; D190-T192 VanDerWaalsContact OD1-CB 3.31Å; D190-T192 WeakPolarHBondContact OD1-CB 3.36Å; D190-T192 WeakPolarHBondContact OD1-CG2 3.41Å; D190-T192 PolarHBondContact OD1-N 3.44Å; D190-T192 PolarHBondContact OD1-OG1 3.38Å; D190-T192 PolarHBondContact OD2-OG1 2.98Å
191	G	91	Very high	92.3	Very high	36 Å²	36	57.2 Å²	57.2	37%	0.371	28%	0.284	S	S	.	.	S	Bend	trans	90.2	-5.1	-178.5	0	0	0	0	0	114.6	A188 F189	A188-G191 PolarHBondContact O-N 3.15Å; F189-G191 PolarHBondContact O-N 2.87Å
192	T	92.8	Very high	92.6	Very high	56 Å²	56	49.3 Å²	49.3	34%	0.344	26%	0.257	S	S	.	.			trans	-66.8	137.9	175.1	60.1	0	0	0	0	110.6	R187 A188 D190 A266	R187-T192 WeakPolarHBondContact CA-O 3.46Å; A188-T192 WeakPolarHBondContact CB-OG1 3.44Å; A188-T192 PolarHBondContact N-O 3.43Å; D190-T192 VanDerWaalsContact OD1-CB 3.31Å; D190-T192 WeakPolarHBondContact OD1-CB 3.36Å; D190-T192 WeakPolarHBondContact OD1-CG2 3.41Å; D190-T192 PolarHBondContact OD1-N 3.44Å; D190-T192 PolarHBondContact OD1-OG1 3.38Å; D190-T192 PolarHBondContact OD2-OG1 2.98Å; T192-A266 WeakPolarHBondContact OG1-CB 3.35Å
193	T	94.4	Very high	92.3	Very high	89 Å²	89	51.3 Å²	51.3	55%	0.546	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	142.1	177.3	53.8	0	0	0	0	110.1	S186	S186-T193 VanDerWaalsContact O-CA 3.3Å; S186-T193 WeakPolarHBondContact O-CA 3.41Å
194	Y	94.5	Very high	91.7	Very high	11 Å²	11	49.3 Å²	49.3	4%	0.043	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	162.7	-179.5	64.9	-82.4	0	0	0	110.6	S186 A188 V199 N260 P261 Q262 N263 A266	S186-Y194 PolarHBondContact N-O 3.02Å; S186-Y194 PolarHBondContact O-N 3.34Å; A188-Y194 HydrophobicContact CB-CD1 4.25Å; A188-Y194 HydrophobicContact CB-CE1 3.84Å; Y194-V199 HydrophobicContact CD2-CG1 3.38Å; Y194-V199 HydrophobicContact CE2-CG1 3.92Å; Y194-V199 HydrophobicContact CG-CG1 4.07Å; Y194-N260 WeakPolarHBondContact CE2-O 3.48Å; Y194-N260 PolarHBondContact OH-O 3.34Å; Y194-N260 VanDerWaalsContact OH-O 3.09Å; Y194-P261 VanDerWaalsContact OH-C 3.23Å; Y194-P261 PolarHBondContact OH-O 2.99Å; Y194-Q262 PolarHBondContact OH-N 2.83Å; Y194-N263 WeakPolarHBondContact OH-CB 3.23Å; Y194-N263 PolarHBondContact OH-N 2.92Å; Y194-A266 HydrophobicContact CD1-CB 3.89Å; Y194-A266 HydrophobicContact CG-CB 4.13Å
195	Y	94.4	Very high	91.4	Very high	31 Å²	31	47.9 Å²	47.9	12%	0.122	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-96.8	134	167.5	-70.6	-76.2	0	0	0	108.9	T183 L185 G197 I198 H496 T499 Y503	T183-Y195 WeakPolarHBondContact O-CE1 3.48Å; L185-Y195 HydrophobicContact CD2-CD1 4.01Å; L185-Y195 HydrophobicContact CD2-CD2 3.63Å; L185-Y195 HydrophobicContact CD2-CE1 3.74Å; L185-Y195 HydrophobicContact CD2-CE2 3.32Å; L185-Y195 HydrophobicContact CD2-CG 3.96Å; L185-Y195 HydrophobicContact CG-CD1 4.48Å; L185-Y195 HydrophobicContact CG-CE1 3.85Å; L185-Y195 HydrophobicContact CG-CE2 4.08Å; Y195-G197 PolarHBondContact O-N 2.8Å; Y195-I198 CarbonylContact O-C 3.47Å; Y195-I198 WeakPolarHBondContact O-CA 3.08Å; Y195-I198 PolarHBondContact O-N 3.34Å; Y195-H496 AromaticContact CD1-CE1 3.61Å; Y195-H496 AromaticContact CD1-NE2 3.78Å; Y195-H496 AromaticContact CG-NE2 3.98Å; Y195-T499 HydrophobicContact CE1-CG2 3.97Å; Y195-Y503 HydrophobicContact CD2-CE2 4.27Å; Y195-Y503 AromaticContact CD2-CZ 3.91Å; Y195-Y503 AromaticContact CE2-CZ 3.9Å; Y195-Y503 WeakPolarHBondContact CE2-OH 3.49Å
196	P	94.3	Very high	91.1	Very high	10 Å²	10	46.7 Å²	46.7	7%	0.065	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	133.1	171	-24.9	34.9	0	0	0	110.6	L179 S186 I198 W259 P261	L179-P196 HydrophobicContact CD1-CB 4.09Å; L179-P196 HydrophobicContact CD1-CG 4.42Å; S186-P196 WeakPolarHBondContact OG-CG 3.3Å; P196-I198 VanDerWaalsContact C-N 3.29Å; P196-I198 PolarHBondContact O-N 3.32Å; P196-W259 HydrophobicContact CB-CE3 4.1Å; P196-W259 WeakPolarHBondContact O-CZ3 3.28Å; P196-P261 HydrophobicContact CG-CB 4Å
197	G	93.6	Very high	90.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	-40.2	-170.3	0	0	0	0	0	113.4	Y195 V199 H219 I258	Y195-G197 PolarHBondContact O-N 2.8Å; G197-V199 PolarHBondContact O-N 3.37Å; G197-H219 PolarHBondContact O-CE1 3.04Å; G197-I258 PolarHBondContact N-O 2.8Å
198	I	95.1	Very high	90.8	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-96	71.4	179.3	-45.6	-64.1	0	0	0	109.2	Y195 P196 H219 L494 H496 Y503 L505 V510	Y195-I198 CarbonylContact O-C 3.47Å; Y195-I198 WeakPolarHBondContact O-CA 3.08Å; Y195-I198 PolarHBondContact O-N 3.34Å; P196-I198 VanDerWaalsContact C-N 3.29Å; P196-I198 PolarHBondContact O-N 3.32Å; I198-H219 VanDerWaalsContact CD1-NE2 3.32Å; I198-H219 WeakPolarHBondContact CD1-NE2 3.41Å; I198-L494 HydrophobicContact CD1-CB 4.14Å; I198-L494 HydrophobicContact CD1-CD1 4.38Å; I198-H496 HydrophobicContact CD1-CB 4.34Å; I198-H496 HydrophobicContact CG1-CB 4.26Å; I198-Y503 HydrophobicContact CD1-CD2 4.17Å; I198-Y503 HydrophobicContact CG1-CD2 4.1Å; I198-Y503 HydrophobicContact CG2-CD1 4Å; I198-Y503 HydrophobicContact CG2-CD2 3.98Å; I198-Y503 HydrophobicContact CG2-CG 3.59Å; I198-L505 HydrophobicContact CG2-CD1 4.3Å; I198-V510 HydrophobicContact CG2-CG1 3.57Å
199	V	94.8	Very high	90.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.			trans	-127.2	152	177.4	-65.7	0	0	0	0	109.5	Y194 G197 H215 I258 V268 L505	Y194-V199 HydrophobicContact CD2-CG1 3.38Å; Y194-V199 HydrophobicContact CE2-CG1 3.92Å; Y194-V199 HydrophobicContact CG-CG1 4.07Å; G197-V199 PolarHBondContact O-N 3.37Å; V199-H215 PolarHBondContact O-CE1 2.85Å; V199-I258 HydrophobicContact CG2-CB 4.26Å; V199-I258 HydrophobicContact CG2-CG1 4.35Å; V199-I258 HydrophobicContact CG2-CG2 4.04Å; V199-I258 WeakPolarHBondContact CG2-O 3.38Å; V199-V268 HydrophobicContact CG2-CG2 4.31Å; V199-L505 WeakPolarHBondContact O-CD2 3.43Å
200	G	94.1	Very high	91.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	151	176.6	0	0	0	0	0	112.7	A266 H267 V268 D507	G200-A266 PolarHBondContact N-O 3.04Å; G200-H267 CarbonylContact O-C 3.56Å; G200-H267 WeakPolarHBondContact O-CA 3.37Å; G200-H267 WeakPolarHBondContact O-CB 3.46Å; G200-V268 PolarHBondContact O-N 3.27Å; G200-D507 CarbonylContact C-O 3.57Å; G200-D507 WeakPolarHBondContact CA-O 3.3Å
201	L	94.4	Very high	91.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.7	167.5	-73.2	178.7	0	0	0	110.4	I203 N211 L214 H215 L254 I258 V268 P270 D507	L201-I203 PolarHBondContact O-N 2.89Å; L201-N211 HydrophobicContact CB-CB 4.24Å; L201-N211 HydrophobicContact CD1-CB 4.11Å; L201-L214 HydrophobicContact CD1-CB 4.5Å; L201-H215 WeakPolarHBondContact CD1-NE2 3.42Å; L201-H215 VanDerWaalsContact CG-NE2 3.26Å; L201-H215 WeakPolarHBondContact CG-NE2 3.37Å; L201-L254 HydrophobicContact CD2-CD1 4.07Å; L201-I258 HydrophobicContact CD1-CD1 4.37Å; L201-I258 HydrophobicContact CD2-CD1 4.18Å; L201-I258 HydrophobicContact CD2-CG1 4.16Å; L201-V268 VanDerWaalsContact CA-O 3.31Å; L201-V268 WeakPolarHBondContact CA-O 3.49Å; L201-V268 HydrophobicContact CD2-CB 4.01Å; L201-V268 HydrophobicContact CD2-CG1 4.39Å; L201-V268 VanDerWaalsContact CD2-O 3.32Å; L201-V268 WeakPolarHBondContact CD2-O 3.46Å; L201-P270 HydrophobicContact CB-CG 4.35Å; L201-P270 HydrophobicContact CD2-CB 4.36Å; L201-P270 HydrophobicContact CD2-CG 4.49Å; L201-D507 PolarHBondContact N-O 3.42Å; L201-D507 CarbonylContact O-C 3.54Å; L201-D507 VanDerWaalsContact O-C 3.23Å; L201-D507 WeakPolarHBondContact O-CA 3.44Å
202	N	91.7	Very high	91.8	Very high	34 Å²	34	27.4 Å²	27.4	18%	0.182	14%	0.142	C	C	.	.			trans	-64.2	137.7	-179.8	-66.7	8.5	0	0	0	111.5	N207 N211 H267 V268 L508	N202-N207 PolarHBondContact O-ND2 2.86Å; N202-N211 PolarHBondContact O-ND2 3.03Å; N202-H267 PolarHBondContact OD1-CD2 3.05Å; N202-V268 PolarHBondContact N-O 3.25Å; N202-V268 VanDerWaalsContact N-O 3.08Å; N202-L508 WeakPolarHBondContact OD1-CD2 3.13Å
203	I	83.5	Confident	92	Very high	85 Å²	85	24.7 Å²	24.7	44%	0.436	13%	0.126	S	C	.	.			trans	-82.3	123.4	162.3	-47.7	-178.9	0	0	0	108.2	L201 K205 D507	L201-I203 PolarHBondContact O-N 2.89Å; I203-K205 WeakPolarHBondContact CG2-O 3.39Å; I203-D507 HydrophobicContact CD1-CB 3.55Å; I203-D507 WeakPolarHBondContact CD1-OD2 3.46Å; I203-D507 HydrophobicContact CG1-CB 3.23Å; I203-D507 WeakPolarHBondContact CG1-OD2 3.24Å
204	I	79.3	Confident	92.1	Very high	51 Å²	51	20.5 Å²	20.5	26%	0.262	10%	0.1	S	C	.	.	S	Bend	trans	-91.1	-46.3	172.8	-63.7	163.6	0	0	0	109.2	N207 H271 L274 I287	I204-N207 PolarHBondContact N-OD1 3.37Å; I204-H271 HydrophobicContact CD1-CB 3.8Å; I204-L274 HydrophobicContact CD1-CD1 3.68Å; I204-I287 HydrophobicContact CB-CG2 3.81Å; I204-I287 HydrophobicContact CG2-CG2 3.69Å
205	K	84.3	Confident	92.3	Very high	132 Å²	132	20.2 Å²	20.2	57%	0.574	10%	0.099	S	C	*	.	S	Bend	trans	-147.9	-94.6	172.8	-67.8	-62.2	172.3	-175	0	110.4	I203 N207 I287 T288	I203-K205 WeakPolarHBondContact CG2-O 3.39Å; K205-N207 PolarHBondContact N-OD1 2.89Å; K205-I287 HydrophobicContact CB-CG2 4.48Å; K205-I287 WeakPolarHBondContact CB-O 3.39Å; K205-T288 HydrophobicContact CG-CG2 4.38Å
206	N	85.3	Confident	92.4	Very high	53 Å²	53	18.8 Å²	18.8	28%	0.283	9%	0.094	S	C	.	.	S	Bend	trans	-124.2	56.5	-175.7	-60.8	-18.7	0	0	0	109	Y209 I287 T288 Q290 D486	N206-Y209 VanDerWaalsContact O-CE1 3.31Å; N206-Y209 WeakPolarHBondContact O-CE1 3.14Å; N206-I287 CarbonylContact C-O 3.59Å; N206-I287 PolarHBondContact N-O 2.6Å; N206-T288 PolarHBondContact ND2-O 3.45Å; N206-Q290 HydrophobicContact CB-CB 4.07Å; N206-Q290 WeakPolarHBondContact O-CA 3.23Å; N206-D486 PolarHBondContact ND2-OD1 2.84Å; N206-D486 PolarHBondContact ND2-OD2 3.3Å
207	N	88.2	Confident	92.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.			trans	-112.7	13.2	-173.1	64.3	-71.6	0	0	0	114	N202 I204 K205 Y209 C210 N211 L274	N202-N207 PolarHBondContact O-ND2 2.86Å; I204-N207 PolarHBondContact N-OD1 3.37Å; K205-N207 PolarHBondContact N-OD1 2.89Å; N207-Y209 VanDerWaalsContact C-N 3.27Å; N207-Y209 PolarHBondContact O-N 3.21Å; N207-C210 WeakPolarHBondContact O-CB 3.25Å; N207-C210 PolarHBondContact O-N 3.47Å; N207-N211 PolarHBondContact ND2-ND2 2.84Å; N207-N211 PolarHBondContact ND2-OD1 3.45Å; N207-N211 PolarHBondContact O-N 2.87Å; N207-N211 VanDerWaalsContact O-N 3.08Å; N207-N211 PolarHBondContact O-OD1 2.8Å; N207-L274 HydrophobicContact CB-CD1 3.76Å; N207-L274 HydrophobicContact CB-CD2 4.32Å; N207-L274 VanDerWaalsContact ND2-CD1 3.34Å; N207-L274 WeakPolarHBondContact ND2-CD1 3.29Å
208	D	92.3	Very high	92.7	Very high	10 Å²	10	18.3 Å²	18.3	5%	0.053	9%	0.09	C	C	.	.	H	α-helix	trans	-55	-39.8	177.6	60.9	-17.6	0	0	0	112.5	C210 N211 V212 Q290 T489 Y490	D208-C210 VanDerWaalsContact C-N 3.26Å; D208-C210 PolarHBondContact O-N 3.46Å; D208-N211 WeakPolarHBondContact O-CB 3.24Å; D208-N211 PolarHBondContact O-N 2.81Å; D208-V212 WeakPolarHBondContact O-CG2 3.28Å; D208-V212 PolarHBondContact O-N 2.88Å; D208-Q290 WeakPolarHBondContact OD1-CG 3.31Å; D208-Q290 PolarHBondContact OD1-NE2 3.01Å; D208-Q290 PolarHBondContact OD2-NE2 3.1Å; D208-T489 WeakPolarHBondContact OD2-CA 3.36Å; D208-Y490 PolarHBondContact OD2-N 3.38Å
209	Y	93.8	Very high	92.7	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-57.2	-36.5	175.1	74.6	-85.7	0	0	0	113	N206 N207 V212 V213 F285 Q286 Q290 S291 F296	N206-Y209 VanDerWaalsContact O-CE1 3.31Å; N206-Y209 WeakPolarHBondContact O-CE1 3.14Å; N207-Y209 VanDerWaalsContact C-N 3.27Å; N207-Y209 PolarHBondContact O-N 3.21Å; Y209-V212 WeakPolarHBondContact O-CG2 3.31Å; Y209-V213 WeakPolarHBondContact O-CG2 3.37Å; Y209-F285 HydrophobicContact CE2-CB 4.45Å; Y209-F285 AromaticContact CE2-CD1 3.97Å; Y209-F285 HydrophobicContact CE2-CD1 3.97Å; Y209-Q286 PolarHBondContact OH-N 3.04Å; Y209-Q286 PolarHBondContact OH-O 3.2Å; Y209-Q290 HydrophobicContact CD1-CG 3.96Å; Y209-S291 VanDerWaalsContact CB-O 3.24Å; Y209-S291 WeakPolarHBondContact CB-O 3.45Å; Y209-F296 HydrophobicContact CD2-CB 3.84Å; Y209-F296 HydrophobicContact CD2-CD1 4.46Å; Y209-F296 HydrophobicContact CD2-CG 4.1Å; Y209-F296 HydrophobicContact CE2-CB 3.95Å; Y209-F296 HydrophobicContact CE2-CD2 4.23Å; Y209-F296 HydrophobicContact CE2-CG 4.03Å
210	C	95.1	Very high	92.8	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.007	9%	0.092	C	C	.	.	H	α-helix	trans	-72.6	-46.9	173.6	-75.8	0	0	0	0	110.5	N207 D208 V212 V213 L214 L274 F296	N207-C210 WeakPolarHBondContact O-CB 3.25Å; N207-C210 PolarHBondContact O-N 3.47Å; D208-C210 VanDerWaalsContact C-N 3.26Å; D208-C210 PolarHBondContact O-N 3.46Å; C210-V212 PolarHBondContact O-N 3.32Å; C210-V213 PolarHBondContact O-N 3.24Å; C210-L214 HydrophobicContact CB-CD1 4.46Å; C210-L214 WeakPolarHBondContact O-CB 3.27Å; C210-L214 WeakPolarHBondContact O-CG 3.21Å; C210-L214 PolarHBondContact O-N 3.28Å; C210-L274 HydrophobicContact CB-CD2 3.59Å; C210-F296 HydrophobicContact CB-CE1 4.07Å; C210-F296 HydrophobicContact CB-CZ 4.2Å
211	N	95.6	Very high	92.8	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.011	10%	0.096	C	C	.	.	H	α-helix	trans	-56.4	-48.7	-176.8	-69.6	-4.4	0	0	0	111.3	L201 N202 N207 D208 V213 L214 H215 P270 D507	L201-N211 HydrophobicContact CB-CB 4.24Å; L201-N211 HydrophobicContact CD1-CB 4.11Å; N202-N211 PolarHBondContact O-ND2 3.03Å; N207-N211 PolarHBondContact ND2-ND2 2.84Å; N207-N211 PolarHBondContact ND2-OD1 3.45Å; N207-N211 PolarHBondContact O-N 2.87Å; N207-N211 VanDerWaalsContact O-N 3.08Å; N207-N211 PolarHBondContact O-OD1 2.8Å; D208-N211 WeakPolarHBondContact O-CB 3.24Å; D208-N211 PolarHBondContact O-N 2.81Å; N211-V213 PolarHBondContact O-N 2.8Å; N211-L214 PolarHBondContact O-N 2.76Å; N211-H215 WeakPolarHBondContact O-CB 3.27Å; N211-H215 PolarHBondContact O-CD2 3.45Å; N211-H215 VanDerWaalsContact O-CD2 3.23Å; N211-H215 PolarHBondContact O-N 3.23Å; N211-P270 WeakPolarHBondContact OD1-CG 3.22Å; N211-D507 PolarHBondContact ND2-OD1 2.87Å
212	V	96.5	Very high	92.9	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.024	11%	0.11	C	C	.	.	H	α-helix	trans	-63	-39.9	179.4	-63.1	0	0	0	0	112.2	D208 Y209 C210 H215 A216 A293 I477 Y490 I492	D208-V212 WeakPolarHBondContact O-CG2 3.28Å; D208-V212 PolarHBondContact O-N 2.88Å; Y209-V212 WeakPolarHBondContact O-CG2 3.31Å; C210-V212 PolarHBondContact O-N 3.32Å; V212-H215 PolarHBondContact O-N 3.37Å; V212-A216 WeakPolarHBondContact O-CB 3.28Å; V212-A216 PolarHBondContact O-N 2.96Å; V212-A293 HydrophobicContact CG2-CB 4.46Å; V212-I477 HydrophobicContact CB-CD1 4.22Å; V212-I477 HydrophobicContact CB-CG1 4.18Å; V212-I477 HydrophobicContact CB-CG2 4.06Å; V212-I477 HydrophobicContact CG2-CD1 4.06Å; V212-I477 HydrophobicContact CG2-CG1 4.38Å; V212-I477 HydrophobicContact CG2-CG2 3.69Å; V212-Y490 HydrophobicContact CG2-CD1 4.37Å; V212-Y490 HydrophobicContact CG2-CG 4.3Å; V212-I492 HydrophobicContact CB-CB 4.06Å; V212-I492 HydrophobicContact CB-CG2 4.47Å; V212-I492 HydrophobicContact CG1-CB 3.99Å; V212-I492 HydrophobicContact CG1-CG2 4.22Å; V212-I492 VanDerWaalsContact O-CD1 3.23Å; V212-I492 WeakPolarHBondContact O-CD1 3.45Å
213	V	97.3	Very high	93.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68.4	-42.5	177.8	167.8	0	0	0	0	111.2	Y209 C210 N211 H215 A216 L217 A293 F296 L297 I477	Y209-V213 WeakPolarHBondContact O-CG2 3.37Å; C210-V213 PolarHBondContact O-N 3.24Å; N211-V213 PolarHBondContact O-N 2.8Å; V213-H215 VanDerWaalsContact C-N 3.32Å; V213-H215 PolarHBondContact O-N 2.85Å; V213-A216 PolarHBondContact O-N 2.87Å; V213-L217 HydrophobicContact CG1-CD1 4.02Å; V213-L217 HydrophobicContact CG1-CG 4.41Å; V213-L217 WeakPolarHBondContact O-CB 2.98Å; V213-L217 VanDerWaalsContact O-CG 3.31Å; V213-L217 WeakPolarHBondContact O-CG 3.23Å; V213-L217 PolarHBondContact O-N 3.4Å; V213-A293 HydrophobicContact CG2-CB 4.09Å; V213-F296 HydrophobicContact CB-CD1 3.68Å; V213-F296 HydrophobicContact CB-CE1 3.77Å; V213-F296 HydrophobicContact CG1-CD1 3.69Å; V213-F296 HydrophobicContact CG1-CE1 3.63Å; V213-F296 HydrophobicContact CG2-CD1 3.94Å; V213-L297 HydrophobicContact CG1-CB 4.15Å; V213-L297 HydrophobicContact CG1-CD1 3.74Å; V213-L297 HydrophobicContact CG2-CB 4.18Å; V213-I477 HydrophobicContact CG2-CD1 4.06Å
214	L	97.1	Very high	93.7	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-62.9	-40.3	177	-66.6	168.3	0	0	0	111.2	L201 C210 N211 S218 F251 L254 M273 F300	L201-L214 HydrophobicContact CD1-CB 4.5Å; C210-L214 HydrophobicContact CB-CD1 4.46Å; C210-L214 WeakPolarHBondContact O-CB 3.27Å; C210-L214 WeakPolarHBondContact O-CG 3.21Å; C210-L214 PolarHBondContact O-N 3.28Å; N211-L214 PolarHBondContact O-N 2.76Å; L214-S218 VanDerWaalsContact O-CB 3.29Å; L214-S218 WeakPolarHBondContact O-CB 3.31Å; L214-S218 PolarHBondContact O-N 3.07Å; L214-F251 HydrophobicContact CD2-CD2 3.75Å; L214-F251 HydrophobicContact CD2-CE2 3.7Å; L214-L254 HydrophobicContact CB-CD2 4.33Å; L214-L254 HydrophobicContact CD1-CD2 3.76Å; L214-L254 HydrophobicContact CD2-CD2 4.31Å; L214-L254 HydrophobicContact CG-CD2 4.35Å; L214-M273 HydrophobicContact CD1-CG 4.11Å; L214-M273 HydrophobicContact CD2-CE 4.13Å; L214-M273 HydrophobicContact CD2-CG 4.32Å; L214-F300 HydrophobicContact CD2-CE1 4.08Å; L214-F300 HydrophobicContact CD2-CZ 4.03Å
215	H	96.6	Very high	94.5	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.019	8%	0.082	C	C	.	.	H	α-helix	trans	-63.4	-44.9	171.9	-84.7	-55.9	0	0	0	113.1	V199 L201 N211 V212 V213 L217 S218 H219 I492 L494	V199-H215 PolarHBondContact O-CE1 2.85Å; L201-H215 WeakPolarHBondContact CD1-NE2 3.42Å; L201-H215 VanDerWaalsContact CG-NE2 3.26Å; L201-H215 WeakPolarHBondContact CG-NE2 3.37Å; N211-H215 WeakPolarHBondContact O-CB 3.27Å; N211-H215 PolarHBondContact O-CD2 3.45Å; N211-H215 VanDerWaalsContact O-CD2 3.23Å; N211-H215 PolarHBondContact O-N 3.23Å; V212-H215 PolarHBondContact O-N 3.37Å; V213-H215 VanDerWaalsContact C-N 3.32Å; V213-H215 PolarHBondContact O-N 2.85Å; H215-L217 VanDerWaalsContact C-N 3.32Å; H215-L217 PolarHBondContact O-N 3.05Å; H215-S218 PolarHBondContact O-N 2.9Å; H215-S218 PolarHBondContact O-OG 3.3Å; H215-H219 PolarHBondContact O-N 3.37Å; H215-H219 PolarHBondContact O-ND1 3.39Å; H215-I492 HydrophobicContact CB-CD1 3.89Å; H215-I492 HydrophobicContact CB-CG2 3.97Å; H215-L494 HydrophobicContact CB-CD1 4.1Å
216	A	97.5	Very high	95.1	Very high	2 Å²	2	11.8 Å²	11.8	2%	0.017	6%	0.063	C	C	.	.	H	α-helix	trans	-60.4	-45.5	179.4	0	0	0	0	0	110.8	V212 V213 H219 A475 I477 I492 I527	V212-A216 WeakPolarHBondContact O-CB 3.28Å; V212-A216 PolarHBondContact O-N 2.96Å; V213-A216 PolarHBondContact O-N 2.87Å; A216-H219 PolarHBondContact O-N 2.67Å; A216-A475 HydrophobicContact CB-CB 4.19Å; A216-I477 HydrophobicContact CB-CD1 3.98Å; A216-I477 HydrophobicContact CB-CG1 4.37Å; A216-I492 HydrophobicContact CB-CD1 3.61Å; A216-I527 HydrophobicContact CB-CD1 3.68Å; A216-I527 HydrophobicContact CB-CG1 4.47Å
217	L	97.5	Very high	95.6	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-70	-32.9	178.4	-65.5	179.8	0	0	0	112.8	V213 H215 H219 V220 L223 F251 L297 F300 L301 F323 I527	V213-L217 HydrophobicContact CG1-CD1 4.02Å; V213-L217 HydrophobicContact CG1-CG 4.41Å; V213-L217 WeakPolarHBondContact O-CB 2.98Å; V213-L217 VanDerWaalsContact O-CG 3.31Å; V213-L217 WeakPolarHBondContact O-CG 3.23Å; V213-L217 PolarHBondContact O-N 3.4Å; H215-L217 VanDerWaalsContact C-N 3.32Å; H215-L217 PolarHBondContact O-N 3.05Å; L217-H219 PolarHBondContact O-N 2.81Å; L217-V220 PolarHBondContact O-N 3.27Å; L217-L223 HydrophobicContact CB-CD2 3.87Å; L217-L223 HydrophobicContact CD2-CD2 4.09Å; L217-L223 HydrophobicContact CG-CD2 4.43Å; L217-F251 HydrophobicContact CB-CZ 4.08Å; L217-L297 HydrophobicContact CD1-CD1 4.23Å; L217-L297 HydrophobicContact CD2-CD1 4.11Å; L217-L297 HydrophobicContact CG-CD1 4.35Å; L217-F300 HydrophobicContact CD1-CD1 3.52Å; L217-F300 HydrophobicContact CD1-CE1 3.65Å; L217-L301 HydrophobicContact CD1-CD2 4.06Å; L217-L301 HydrophobicContact CD2-CD2 3.9Å; L217-F323 HydrophobicContact CD2-CE2 4.22Å; L217-F323 HydrophobicContact CD2-CZ 3.83Å; L217-I527 HydrophobicContact CD2-CD1 4.48Å
218	S	96.2	Very high	96	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-67.5	-20.6	177.3	78.2	0	0	0	0	113.6	L214 H215 R224 W259	L214-S218 VanDerWaalsContact O-CB 3.29Å; L214-S218 WeakPolarHBondContact O-CB 3.31Å; L214-S218 PolarHBondContact O-N 3.07Å; H215-S218 PolarHBondContact O-N 2.9Å; H215-S218 PolarHBondContact O-OG 3.3Å; S218-R224 WeakPolarHBondContact O-CB 3.49Å; S218-W259 PolarHBondContact O-NE1 3.45Å
219	H	95.6	Very high	96.1	Very high	11 Å²	11	10.5 Å²	10.5	5%	0.051	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	6	178.2	-73.9	71	0	0	0	113.8	G197 I198 H215 A216 L217 P221 L494	G197-H219 PolarHBondContact O-CE1 3.04Å; I198-H219 VanDerWaalsContact CD1-NE2 3.32Å; I198-H219 WeakPolarHBondContact CD1-NE2 3.41Å; H215-H219 PolarHBondContact O-N 3.37Å; H215-H219 PolarHBondContact O-ND1 3.39Å; A216-H219 PolarHBondContact O-N 2.67Å; L217-H219 PolarHBondContact O-N 2.81Å; H219-P221 VanDerWaalsContact O-CD 3.26Å; H219-P221 WeakPolarHBondContact O-CD 3.38Å; H219-L494 HydrophobicContact CB-CD2 4.06Å; H219-L494 WeakPolarHBondContact CE1-CD1 3.45Å
220	V	96.8	Very high	96.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.067	C	C	.	.			trans	-92.6	103.8	172.2	176	0	0	0	0	108.8	L217 L223 R224 T322 F323 Y423 I474 I527	L217-V220 PolarHBondContact O-N 3.27Å; V220-L223 HydrophobicContact CB-CB 4.15Å; V220-L223 HydrophobicContact CG1-CB 4.01Å; V220-L223 WeakPolarHBondContact O-CB 3.05Å; V220-L223 PolarHBondContact O-N 3.24Å; V220-L223 VanDerWaalsContact O-N 3.08Å; V220-R224 WeakPolarHBondContact O-CB 3.23Å; V220-R224 PolarHBondContact O-N 3.43Å; V220-T322 HydrophobicContact CG1-CG2 3.57Å; V220-F323 HydrophobicContact CB-CZ 4.3Å; V220-F323 HydrophobicContact CG1-CE1 4.21Å; V220-F323 HydrophobicContact CG1-CZ 3.91Å; V220-F323 HydrophobicContact CG2-CE1 4.09Å; V220-F323 HydrophobicContact CG2-CZ 3.96Å; V220-Y423 HydrophobicContact CB-CD1 4.39Å; V220-Y423 HydrophobicContact CG1-CD1 3.72Å; V220-Y423 HydrophobicContact CG1-CD2 4.04Å; V220-Y423 HydrophobicContact CG1-CE1 3.94Å; V220-Y423 HydrophobicContact CG1-CE2 4.31Å; V220-Y423 HydrophobicContact CG1-CG 3.78Å; V220-Y423 HydrophobicContact CG2-CD1 4.14Å; V220-I474 HydrophobicContact CG2-CD1 3.94Å; V220-I527 HydrophobicContact CG2-CD1 4.13Å; V220-I527 HydrophobicContact CG2-CG2 4.01Å
221	P	95.1	Very high	95.9	Very high	12 Å²	12	20.4 Å²	20.4	8%	0.078	10%	0.102	C	C	.	.	H	α-helix	trans	-53.8	-47.1	-170.7	-18.1	19.4	0	0	0	115.5	H219 L223 R224 D225 Y423	H219-P221 VanDerWaalsContact O-CD 3.26Å; H219-P221 WeakPolarHBondContact O-CD 3.38Å; P221-L223 PolarHBondContact O-N 3.06Å; P221-R224 PolarHBondContact O-N 2.73Å; P221-D225 WeakPolarHBondContact O-CB 3.38Å; P221-D225 PolarHBondContact O-N 2.93Å; P221-Y423 VanDerWaalsContact CD-OH 3.24Å; P221-Y423 WeakPolarHBondContact CD-OH 3.39Å; P221-Y423 WeakPolarHBondContact CG-OH 3.42Å
222	P	95.3	Very high	95.8	Very high	46 Å²	46	23.4 Å²	23.4	30%	0.299	12%	0.118	S	C	.	.	H	α-helix	trans	-60.2	-36.6	-179.7	-24.5	34.8	0	0	0	112.5	Y226 I318 Y423	P222-Y226 WeakPolarHBondContact O-CB 3.24Å; P222-Y226 PolarHBondContact O-N 3.46Å; P222-I318 HydrophobicContact CB-CD1 4.03Å; P222-I318 WeakPolarHBondContact O-CD1 3.39Å; P222-Y423 HydrophobicContact CG-CD2 4.3Å; P222-Y423 HydrophobicContact CG-CE2 3.56Å
223	L	96.3	Very high	95.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-73.6	-48.8	177.9	-172	64.9	0	0	0	110.9	L217 V220 P221 D225 Y226 F227 F251 I318 I319 F323	L217-L223 HydrophobicContact CB-CD2 3.87Å; L217-L223 HydrophobicContact CD2-CD2 4.09Å; L217-L223 HydrophobicContact CG-CD2 4.43Å; V220-L223 HydrophobicContact CB-CB 4.15Å; V220-L223 HydrophobicContact CG1-CB 4.01Å; V220-L223 WeakPolarHBondContact O-CB 3.05Å; V220-L223 PolarHBondContact O-N 3.24Å; V220-L223 VanDerWaalsContact O-N 3.08Å; P221-L223 PolarHBondContact O-N 3.06Å; L223-D225 PolarHBondContact O-N 2.93Å; L223-Y226 WeakPolarHBondContact O-CB 3.38Å; L223-Y226 PolarHBondContact O-N 2.65Å; L223-F227 HydrophobicContact CD1-CD2 3.82Å; L223-F227 HydrophobicContact CD1-CE2 3.56Å; L223-F227 HydrophobicContact CG-CD2 4.1Å; L223-F227 HydrophobicContact CG-CE2 4.27Å; L223-F227 VanDerWaalsContact O-CD2 3.31Å; L223-F227 WeakPolarHBondContact O-CD2 3.43Å; L223-F227 PolarHBondContact O-N 3.38Å; L223-F227 VanDerWaalsContact O-N 3.07Å; L223-F251 HydrophobicContact CD2-CE1 4.37Å; L223-F251 HydrophobicContact CD2-CZ 4.4Å; L223-F251 HydrophobicContact CG-CE1 4.4Å; L223-I318 HydrophobicContact CD1-CG1 4.05Å; L223-I318 HydrophobicContact CD1-CG2 3.98Å; L223-I319 HydrophobicContact CD1-CD1 3.62Å; L223-F323 HydrophobicContact CD2-CE2 4.14Å; L223-F323 HydrophobicContact CD2-CZ 4.32Å
224	R	96.4	Very high	95.3	Very high	11 Å²	11	29.9 Å²	29.9	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-53.4	-55.1	175.5	179.9	-161.5	65.7	-170.5	-1.8	111	S218 V220 P221 Y226 F227 L228 I255 W259	S218-R224 WeakPolarHBondContact O-CB 3.49Å; V220-R224 WeakPolarHBondContact O-CB 3.23Å; V220-R224 PolarHBondContact O-N 3.43Å; P221-R224 PolarHBondContact O-N 2.73Å; R224-Y226 PolarHBondContact O-N 3.27Å; R224-F227 CarbonylContact O-C 3.36Å; R224-F227 PolarHBondContact O-N 2.76Å; R224-L228 HydrophobicContact CG-CD1 3.8Å; R224-L228 HydrophobicContact CG-CG 4.08Å; R224-L228 VanDerWaalsContact O-CG 3.31Å; R224-L228 WeakPolarHBondContact O-CG 3.4Å; R224-L228 PolarHBondContact O-N 2.79Å; R224-I255 HydrophobicContact CG-CG2 4.15Å; R224-W259 VanDerWaalsContact CD-CZ2 3.43Å; R224-W259 HydrophobicContact CG-CD2 4.38Å; R224-W259 HydrophobicContact CG-CG 4.38Å; R224-W259 HydrophobicContact CG-CZ2 4.48Å
225	D	96.2	Very high	94.8	Very high	48 Å²	48	35.3 Å²	35.3	26%	0.257	18%	0.178	S	C	.	.	H	α-helix	trans	-62.2	-36.2	-175.7	-63.8	-2.7	0	0	0	111	I176 P221 L223	I176-D225 HydrophobicContact CG2-CB 3.66Å; I176-D225 VanDerWaalsContact CG2-OD1 3.22Å; I176-D225 WeakPolarHBondContact CG2-OD1 3.3Å; P221-D225 WeakPolarHBondContact O-CB 3.38Å; P221-D225 PolarHBondContact O-N 2.93Å; L223-D225 PolarHBondContact O-N 2.93Å
226	Y	95.7	Very high	94.5	Very high	40 Å²	40	36.7 Å²	36.7	16%	0.157	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-44.9	172.6	-176	-92.5	0	0	0	111.8	P222 L223 R224 N232 Y233 L308 I318	P222-Y226 WeakPolarHBondContact O-CB 3.24Å; P222-Y226 PolarHBondContact O-N 3.46Å; L223-Y226 WeakPolarHBondContact O-CB 3.38Å; L223-Y226 PolarHBondContact O-N 2.65Å; R224-Y226 PolarHBondContact O-N 3.27Å; Y226-N232 WeakPolarHBondContact CA-ND2 3.34Å; Y226-N232 HydrophobicContact CD2-CB 3.89Å; Y226-N232 HydrophobicContact CE1-CB 4.39Å; Y226-N232 HydrophobicContact CE2-CB 3.65Å; Y226-N232 HydrophobicContact CG-CB 4.36Å; Y226-N232 PolarHBondContact O-ND2 2.78Å; Y226-N232 PolarHBondContact OH-O 3.37Å; Y226-Y233 HydrophobicContact CD1-CD1 4.46Å; Y226-Y233 HydrophobicContact CE1-CD1 4.08Å; Y226-L308 HydrophobicContact CE1-CD1 4.15Å; Y226-L308 HydrophobicContact CE1-CD2 4.2Å; Y226-I318 HydrophobicContact CD1-CB 4.42Å; Y226-I318 HydrophobicContact CD1-CG2 3.89Å; Y226-I318 HydrophobicContact CD2-CB 4.24Å; Y226-I318 HydrophobicContact CD2-CG1 4.49Å; Y226-I318 HydrophobicContact CE1-CG2 4.09Å; Y226-I318 HydrophobicContact CG-CB 4.15Å; Y226-I318 HydrophobicContact CG-CG1 4.15Å; Y226-I318 HydrophobicContact CG-CG2 4.13Å
227	F	96.7	Very high	94.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-82.6	-23.3	-176.2	-83	-70.7	0	0	0	115	L223 R224 C229 Y233 Y248 F251 I255 L304 L308	L223-F227 HydrophobicContact CD1-CD2 3.82Å; L223-F227 HydrophobicContact CD1-CE2 3.56Å; L223-F227 HydrophobicContact CG-CD2 4.1Å; L223-F227 HydrophobicContact CG-CE2 4.27Å; L223-F227 VanDerWaalsContact O-CD2 3.31Å; L223-F227 WeakPolarHBondContact O-CD2 3.43Å; L223-F227 PolarHBondContact O-N 3.38Å; L223-F227 VanDerWaalsContact O-N 3.07Å; R224-F227 CarbonylContact O-C 3.36Å; R224-F227 PolarHBondContact O-N 2.76Å; F227-C229 VanDerWaalsContact C-N 3.28Å; F227-C229 PolarHBondContact O-N 3.43Å; F227-Y233 HydrophobicContact CD1-CD1 4.06Å; F227-Y233 AromaticContact CD1-CE1 3.8Å; F227-Y233 HydrophobicContact CD1-CE1 3.8Å; F227-Y233 HydrophobicContact CE1-CD1 4.28Å; F227-Y233 HydrophobicContact CE1-CE1 4.41Å; F227-Y233 PolarHBondContact O-OH 3.28Å; F227-Y248 WeakPolarHBondContact CE1-O 3.35Å; F227-F251 AromaticContact CD1-CD1 3.82Å; F227-F251 HydrophobicContact CD1-CD1 3.82Å; F227-F251 HydrophobicContact CD1-CE1 4.46Å; F227-F251 AromaticContact CD2-CD1 3.62Å; F227-F251 HydrophobicContact CD2-CD1 3.62Å; F227-F251 AromaticContact CD2-CE1 3.44Å; F227-F251 HydrophobicContact CD2-CE1 3.44Å; F227-F251 VanDerWaalsContact CD2-CE1 3.44Å; F227-F251 AromaticContact CE1-CD1 3.74Å; F227-F251 HydrophobicContact CE1-CD1 3.74Å; F227-F251 AromaticContact CE2-CD1 3.54Å; F227-F251 HydrophobicContact CE2-CD1 3.54Å; F227-F251 AromaticContact CE2-CE1 3.53Å; F227-F251 HydrophobicContact CE2-CE1 3.53Å; F227-F251 AromaticContact CG-CD1 3.77Å; F227-F251 HydrophobicContact CG-CD1 3.77Å; F227-F251 AromaticContact CG-CE1 3.95Å; F227-F251 HydrophobicContact CG-CE1 3.95Å; F227-F251 AromaticContact CZ-CD1 3.6Å; F227-F251 HydrophobicContact CZ-CD1 3.6Å; F227-F251 HydrophobicContact CZ-CE1 4.09Å; F227-I255 HydrophobicContact CB-CB 4.16Å; F227-I255 HydrophobicContact CB-CG1 4.15Å; F227-I255 HydrophobicContact CB-CG2 4.11Å; F227-L304 HydrophobicContact CZ-CD2 4.3Å; F227-L308 HydrophobicContact CZ-CD1 4.15Å
228	L	96	Very high	93.6	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-65.1	-32.2	172	-72.1	176.5	0	0	0	112.2	Y171 I176 L179 R224 I255 R256 W259	Y171-L228 HydrophobicContact CD2-CB 4.11Å; Y171-L228 HydrophobicContact CD2-CD2 3.84Å; Y171-L228 HydrophobicContact CD2-CG 4.46Å; Y171-L228 HydrophobicContact CE1-CD2 4.47Å; Y171-L228 HydrophobicContact CE2-CD2 3.57Å; Y171-L228 HydrophobicContact CG-CB 4.41Å; Y171-L228 HydrophobicContact CG-CD2 4.42Å; I176-L228 HydrophobicContact CD1-CB 4.08Å; I176-L228 HydrophobicContact CG1-CB 4.29Å; I176-L228 HydrophobicContact CG1-CD1 4.16Å; I176-L228 HydrophobicContact CG2-CD1 4.35Å; L179-L228 HydrophobicContact CD2-CD1 3.89Å; R224-L228 HydrophobicContact CG-CD1 3.8Å; R224-L228 HydrophobicContact CG-CG 4.08Å; R224-L228 VanDerWaalsContact O-CG 3.31Å; R224-L228 WeakPolarHBondContact O-CG 3.4Å; R224-L228 PolarHBondContact O-N 2.79Å; L228-I255 HydrophobicContact CD2-CG2 3.87Å; L228-I255 HydrophobicContact CG-CG2 4.1Å; L228-R256 HydrophobicContact CD2-CG 4.04Å; L228-R256 WeakPolarHBondContact O-CD 3.37Å; L228-W259 HydrophobicContact CD2-CB 3.93Å; L228-W259 HydrophobicContact CD2-CG 4.49Å
229	C	94.5	Very high	93.3	Very high	33 Å²	33	53.4 Å²	53.4	22%	0.223	26%	0.256	C	S	.	.			trans	-98.5	99.1	177.2	-178.1	0	0	0	0	111	I176 F227 K231 N232	I176-C229 HydrophobicContact CD1-CB 4.34Å; F227-C229 VanDerWaalsContact C-N 3.28Å; F227-C229 PolarHBondContact O-N 3.43Å; C229-K231 PolarHBondContact O-N 3.45Å; C229-K231 VanDerWaalsContact O-N 3.07Å; C229-N232 WeakPolarHBondContact CB-ND2 3.11Å; C229-N232 VanDerWaalsContact O-CB 3.28Å; C229-N232 WeakPolarHBondContact O-CB 3.27Å; C229-N232 PolarHBondContact O-N 3.1Å; C229-N232 PolarHBondContact O-ND2 3.33Å
230	E	93.2	Very high	92.8	Very high	42 Å²	42	59.4 Å²	59.4	20%	0.196	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-30.7	-178.7	-167.8	-175.1	137.2	0	0	113.4	Q168 N232 Y233 K234 R256	Q168-E230 PolarHBondContact NE2-OE2 3Å; E230-N232 PolarHBondContact O-N 3.45Å; E230-N232 VanDerWaalsContact O-N 3.1Å; E230-Y233 HydrophobicContact CG-CE2 4.03Å; E230-Y233 PolarHBondContact O-N 3.44Å; E230-K234 HydrophobicContact CG-CB 4.37Å; E230-K234 HydrophobicContact CG-CD 4.38Å; E230-K234 WeakPolarHBondContact O-CB 3.34Å; E230-K234 PolarHBondContact O-N 2.93Å; E230-K234 WeakPolarHBondContact OE1-CD 3.37Å; E230-K234 IonicContact OE1-NZ 2.9Å; E230-K234 PolarHBondContact OE1-NZ 2.89Å; E230-R256 IonicContact OE2-CZ 3.4Å; E230-R256 IonicContact OE2-NH1 2.65Å; E230-R256 PolarHBondContact OE2-NH1 3.06Å; E230-R256 IonicContact OE2-NH2 3.68Å; E230-R256 PolarHBondContact OE2-NH2 3.4Å
231	K	92.4	Very high	92.3	Very high	170 Å²	170	63.5 Å²	63.5	74%	0.739	34%	0.338	S	S	*	.	H	α-helix	trans	-58.6	-25.1	178.6	-61	180	-178.8	177.2	0	113	C229 Y233	C229-K231 PolarHBondContact O-N 3.45Å; C229-K231 VanDerWaalsContact O-N 3.07Å; K231-Y233 VanDerWaalsContact C-N 3.32Å; K231-Y233 PolarHBondContact O-N 2.86Å
232	N	92.8	Very high	92.1	Very high	65 Å²	65	64.6 Å²	64.6	35%	0.348	34%	0.343	S	S	.	.	H	α-helix	trans	-68.9	-28	-177.2	-68.8	-18.2	0	0	0	113.8	Y226 C229 E230	Y226-N232 WeakPolarHBondContact CA-ND2 3.34Å; Y226-N232 HydrophobicContact CD2-CB 3.89Å; Y226-N232 HydrophobicContact CE1-CB 4.39Å; Y226-N232 HydrophobicContact CE2-CB 3.65Å; Y226-N232 HydrophobicContact CG-CB 4.36Å; Y226-N232 PolarHBondContact O-ND2 2.78Å; Y226-N232 PolarHBondContact OH-O 3.37Å; C229-N232 WeakPolarHBondContact CB-ND2 3.11Å; C229-N232 VanDerWaalsContact O-CB 3.28Å; C229-N232 WeakPolarHBondContact O-CB 3.27Å; C229-N232 PolarHBondContact O-N 3.1Å; C229-N232 PolarHBondContact O-ND2 3.33Å; E230-N232 PolarHBondContact O-N 3.45Å; E230-N232 VanDerWaalsContact O-N 3.1Å
233	Y	93	Very high	91.9	Very high	4 Å²	4	65.4 Å²	65.4	2%	0.016	34%	0.342	C	S	.	.	H	α-helix	trans	-126.1	-13	-176	54.8	-95.4	0	0	0	113.8	Y226 F227 E230 K231 T235 I236 Y248 G252	Y226-Y233 HydrophobicContact CD1-CD1 4.46Å; Y226-Y233 HydrophobicContact CE1-CD1 4.08Å; F227-Y233 HydrophobicContact CD1-CD1 4.06Å; F227-Y233 AromaticContact CD1-CE1 3.8Å; F227-Y233 HydrophobicContact CD1-CE1 3.8Å; F227-Y233 HydrophobicContact CE1-CD1 4.28Å; F227-Y233 HydrophobicContact CE1-CE1 4.41Å; F227-Y233 PolarHBondContact O-OH 3.28Å; E230-Y233 HydrophobicContact CG-CE2 4.03Å; E230-Y233 PolarHBondContact O-N 3.44Å; K231-Y233 VanDerWaalsContact C-N 3.32Å; K231-Y233 PolarHBondContact O-N 2.86Å; Y233-T235 VanDerWaalsContact C-N 3.29Å; Y233-T235 PolarHBondContact O-N 3.27Å; Y233-I236 WeakPolarHBondContact O-CB 3.19Å; Y233-I236 WeakPolarHBondContact O-CG1 3.45Å; Y233-I236 PolarHBondContact O-N 3.03Å; Y233-Y248 AromaticContact CD2-CD2 3.51Å; Y233-Y248 HydrophobicContact CD2-CD2 3.51Å; Y233-Y248 AromaticContact CD2-CE2 3.75Å; Y233-Y248 HydrophobicContact CD2-CE2 3.75Å; Y233-Y248 HydrophobicContact CE2-CD2 4.28Å; Y233-Y248 HydrophobicContact CG-CD2 4.03Å; Y233-Y248 HydrophobicContact CG-CE2 4.39Å; Y233-G252 WeakPolarHBondContact OH-CA 3.18Å
234	K	89.6	Confident	91.7	Very high	135 Å²	135	67.5 Å²	67.5	59%	0.587	35%	0.352	S	S	*	.	H	α-helix	trans	-64.8	-30.4	177.4	-172.6	175.1	-164.6	147.8	0	113.8	E230 I236	E230-K234 HydrophobicContact CG-CB 4.37Å; E230-K234 HydrophobicContact CG-CD 4.38Å; E230-K234 WeakPolarHBondContact O-CB 3.34Å; E230-K234 PolarHBondContact O-N 2.93Å; E230-K234 WeakPolarHBondContact OE1-CD 3.37Å; E230-K234 IonicContact OE1-NZ 2.9Å; E230-K234 PolarHBondContact OE1-NZ 2.89Å; K234-I236 VanDerWaalsContact C-N 3.29Å
235	T	88.5	Confident	91.5	Very high	115 Å²	115	68.3 Å²	68.3	71%	0.706	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-7.5	-178.1	53.8	0	0	0	0	113.3	Y233 R237	Y233-T235 VanDerWaalsContact C-N 3.29Å; Y233-T235 PolarHBondContact O-N 3.27Å; T235-R237 PolarHBondContact O-N 3.01Å
236	I	89.2	Confident	91.4	Very high	34 Å²	34	68.8 Å²	68.8	17%	0.174	36%	0.36	C	S	.	.			trans	-69	116.5	-179.4	-60.3	177.2	0	0	0	108.6	Y233 K234 R238 L308 N309	Y233-I236 WeakPolarHBondContact O-CB 3.19Å; Y233-I236 WeakPolarHBondContact O-CG1 3.45Å; Y233-I236 PolarHBondContact O-N 3.03Å; K234-I236 VanDerWaalsContact C-N 3.29Å; I236-R238 HydrophobicContact CG2-CG 4.31Å; I236-L308 HydrophobicContact CD1-CB 4.4Å; I236-L308 HydrophobicContact CD1-CD2 3.64Å; I236-N309 WeakPolarHBondContact CG2-ND2 3.48Å
237	R	88.7	Confident	91.4	Very high	229 Å²	229	66.9 Å²	66.9	86%	0.864	35%	0.353	S	S	*	.			trans	-77.8	129.3	174.1	-62.4	-174.5	-178.4	-164.2	-0.1	109.4	T235 N309	T235-R237 PolarHBondContact O-N 3.01Å; R237-N309 PolarHBondContact O-ND2 2.95Å
238	R	88.3	Confident	91.3	Very high	68 Å²	68	67 Å²	67	26%	0.257	35%	0.354	S	S	.	.			trans	-125.8	155.7	175.7	-68.4	-64.5	-65.2	-165.5	-7.5	110.2	I236 D242 V245 L306 S307 N309	I236-R238 HydrophobicContact CG2-CG 4.31Å; R238-D242 IonicContact CZ-OD2 2.72Å; R238-D242 IonicContact NE-OD2 3.38Å; R238-D242 PolarHBondContact NE-OD2 2.99Å; R238-D242 IonicContact NH2-OD2 2.63Å; R238-D242 PolarHBondContact NH2-OD2 2.94Å; R238-V245 HydrophobicContact CB-CG2 3.49Å; R238-V245 VanDerWaalsContact CB-CG2 3.49Å; R238-V245 HydrophobicContact CG-CG2 3.66Å; R238-L306 PolarHBondContact NH1-O 3.24Å; R238-S307 WeakPolarHBondContact CD-O 3.46Å; R238-N309 WeakPolarHBondContact CD-OD1 3.26Å; R238-N309 PolarHBondContact NH1-OD1 2.77Å
239	P	88.5	Confident	91.2	Very high	56 Å²	56	70.5 Å²	70.5	36%	0.364	37%	0.37	S	S	.	.			trans	-57	144.4	175.9	-22.8	33.8	0	0	0	111.6	I39 G241 D242	I39-P239 HydrophobicContact CD1-CG 4.42Å; P239-G241 PolarHBondContact O-N 3.07Å; P239-D242 VanDerWaalsContact O-CB 3.31Å; P239-D242 WeakPolarHBondContact O-CB 3.34Å; P239-D242 PolarHBondContact O-N 3.11Å
240	P	85	Confident	91.3	Very high	136 Å²	136	71.1 Å²	71.1	88%	0.883	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	136.9	173.5	26.7	-33.5	0	0	0	110.1	D242	P240-D242 VanDerWaalsContact C-N 3.32Å
241	G	86.3	Confident	91.4	Very high	86 Å²	86	69.2 Å²	69.2	89%	0.887	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-1	-177.7	0	0	0	0	0	115.3	P239 K243	P239-G241 PolarHBondContact O-N 3.07Å; G241-K243 PolarHBondContact O-N 3.42Å
242	D	90.7	Very high	91.6	Very high	35 Å²	35	61.1 Å²	61.1	19%	0.187	32%	0.323	C	S	.	.			trans	-71.2	103.8	176	-179.3	16.1	0	0	0	111.9	R238 P239 P240 M244 V245	R238-D242 IonicContact CZ-OD2 2.72Å; R238-D242 IonicContact NE-OD2 3.38Å; R238-D242 PolarHBondContact NE-OD2 2.99Å; R238-D242 IonicContact NH2-OD2 2.63Å; R238-D242 PolarHBondContact NH2-OD2 2.94Å; P239-D242 VanDerWaalsContact O-CB 3.31Å; P239-D242 WeakPolarHBondContact O-CB 3.34Å; P239-D242 PolarHBondContact O-N 3.11Å; P240-D242 VanDerWaalsContact C-N 3.32Å; D242-M244 PolarHBondContact O-N 2.87Å; D242-M244 VanDerWaalsContact OD1-CB 3.24Å; D242-M244 WeakPolarHBondContact OD1-CB 3.33Å; D242-M244 WeakPolarHBondContact OD1-CG 3.19Å; D242-M244 PolarHBondContact OD1-N 3.42Å; D242-V245 HydrophobicContact CB-CG2 4.38Å; D242-V245 WeakPolarHBondContact O-CB 3.4Å; D242-V245 WeakPolarHBondContact O-CG2 3.18Å; D242-V245 PolarHBondContact O-N 3.39Å
243	K	92.3	Very high	91.8	Very high	63 Å²	63	60 Å²	60	27%	0.274	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22	176.6	63.8	-179	-178.8	173.7	0	114	G241 V245 L246 L279 C280 N282	G241-K243 PolarHBondContact O-N 3.42Å; K243-V245 PolarHBondContact O-N 3.35Å; K243-L246 WeakPolarHBondContact O-CB 3.47Å; K243-L246 PolarHBondContact O-N 3.17Å; K243-L246 VanDerWaalsContact O-N 3.09Å; K243-L279 HydrophobicContact CB-CD2 4.43Å; K243-L279 HydrophobicContact CB-CG 4.48Å; K243-L279 HydrophobicContact CD-CG 4.29Å; K243-L279 PolarHBondContact NZ-O 3.47Å; K243-C280 PolarHBondContact O-SG 2.7Å; K243-C280 VanDerWaalsContact O-SG 3.32Å; K243-N282 PolarHBondContact NZ-OD1 2.89Å
244	M	92.1	Very high	91.9	Very high	45 Å²	45	60 Å²	60	22%	0.222	32%	0.316	C	S	.	.	H	α-helix	trans	-65.6	-19.2	-179.2	-62.8	-65.1	171.6	0	0	112.6	D242 L246 L247 C280	D242-M244 PolarHBondContact O-N 2.87Å; D242-M244 VanDerWaalsContact OD1-CB 3.24Å; D242-M244 WeakPolarHBondContact OD1-CB 3.33Å; D242-M244 WeakPolarHBondContact OD1-CG 3.19Å; D242-M244 PolarHBondContact OD1-N 3.42Å; M244-L246 PolarHBondContact O-N 3.31Å; M244-L247 VanDerWaalsContact O-CB 3.31Å; M244-L247 WeakPolarHBondContact O-CB 3.44Å; M244-L247 PolarHBondContact O-N 2.77Å; M244-L247 VanDerWaalsContact O-N 3.09Å; M244-C280 HydrophobicContact CE-CB 4.27Å; M244-C280 VanDerWaalsContact CE-O 3.27Å; M244-C280 WeakPolarHBondContact CE-O 3.36Å; M244-C280 HydrophobicContact SD-CB 3.74Å
245	V	92.7	Very high	92.3	Very high	29 Å²	29	53.7 Å²	53.7	18%	0.176	29%	0.289	C	S	.	.	H	α-helix	trans	-55.1	-39.6	171.7	172.9	0	0	0	0	111.6	R238 D242 K243 L247 Y248 Q249	R238-V245 HydrophobicContact CB-CG2 3.49Å; R238-V245 VanDerWaalsContact CB-CG2 3.49Å; R238-V245 HydrophobicContact CG-CG2 3.66Å; D242-V245 HydrophobicContact CB-CG2 4.38Å; D242-V245 WeakPolarHBondContact O-CB 3.4Å; D242-V245 WeakPolarHBondContact O-CG2 3.18Å; D242-V245 PolarHBondContact O-N 3.39Å; K243-V245 PolarHBondContact O-N 3.35Å; V245-L247 PolarHBondContact O-N 3.26Å; V245-Y248 HydrophobicContact CB-CE1 4.32Å; V245-Y248 HydrophobicContact CG1-CE1 4.43Å; V245-Y248 HydrophobicContact CG2-CE1 4.42Å; V245-Q249 HydrophobicContact CG1-CG 4.33Å; V245-Q249 VanDerWaalsContact CG1-NE2 3.34Å; V245-Q249 VanDerWaalsContact O-CG 3.28Å; V245-Q249 WeakPolarHBondContact O-CG 3.05Å; V245-Q249 PolarHBondContact O-N 2.98Å
246	L	93.1	Very high	92.7	Very high	57 Å²	57	48.7 Å²	48.7	30%	0.298	26%	0.257	S	S	.	.	H	α-helix	trans	-63.3	-32.1	-179.9	-64.3	170.1	0	0	0	111.6	K243 M244 Q249 R250 A276 L279	K243-L246 WeakPolarHBondContact O-CB 3.47Å; K243-L246 PolarHBondContact O-N 3.17Å; K243-L246 VanDerWaalsContact O-N 3.09Å; M244-L246 PolarHBondContact O-N 3.31Å; L246-Q249 PolarHBondContact O-N 2.88Å; L246-R250 WeakPolarHBondContact O-CB 3.01Å; L246-R250 VanDerWaalsContact O-CG 3.26Å; L246-R250 WeakPolarHBondContact O-CG 2.9Å; L246-R250 PolarHBondContact O-N 3.45Å; L246-A276 HydrophobicContact CB-CB 4.29Å; L246-L279 HydrophobicContact CD1-CD2 3.67Å
247	L	95.2	Very high	93	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.5	-54.2	-174.6	-167.1	68.5	0	0	0	111.9	M244 V245 F251 M273 V277 C280 W299 F300 A303 L304	M244-L247 VanDerWaalsContact O-CB 3.31Å; M244-L247 WeakPolarHBondContact O-CB 3.44Å; M244-L247 PolarHBondContact O-N 2.77Å; M244-L247 VanDerWaalsContact O-N 3.09Å; V245-L247 PolarHBondContact O-N 3.26Å; L247-F251 VanDerWaalsContact O-CB 3.24Å; L247-F251 WeakPolarHBondContact O-CB 2.93Å; L247-F251 PolarHBondContact O-N 3.2Å; L247-M273 HydrophobicContact CD1-CE 3.98Å; L247-V277 HydrophobicContact CD1-CG2 4.1Å; L247-C280 HydrophobicContact CD1-CB 4.31Å; L247-W299 HydrophobicContact CD1-CH2 3.97Å; L247-W299 HydrophobicContact CD2-CH2 4.33Å; L247-F300 HydrophobicContact CD1-CD2 4.21Å; L247-F300 HydrophobicContact CD1-CE2 3.74Å; L247-F300 HydrophobicContact CD2-CD2 4.33Å; L247-F300 HydrophobicContact CD2-CE2 4.22Å; L247-F300 HydrophobicContact CG-CD2 4.49Å; L247-F300 HydrophobicContact CG-CE2 3.94Å; L247-A303 HydrophobicContact CD2-CB 3.48Å; L247-A303 VanDerWaalsContact CD2-CB 3.48Å; L247-L304 HydrophobicContact CD2-CD2 4.23Å; L247-L304 HydrophobicContact CD2-CG 4.5Å; L247-L304 HydrophobicContact CG-CD2 4.19Å
248	Y	94.9	Very high	93.3	Very high	4 Å²	4	37 Å²	37	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-73.9	-29.8	-178.6	68	-106.5	0	0	0	112.2	F227 Y233 V245 G252 S307 L308	F227-Y248 WeakPolarHBondContact CE1-O 3.35Å; Y233-Y248 AromaticContact CD2-CD2 3.51Å; Y233-Y248 HydrophobicContact CD2-CD2 3.51Å; Y233-Y248 AromaticContact CD2-CE2 3.75Å; Y233-Y248 HydrophobicContact CD2-CE2 3.75Å; Y233-Y248 HydrophobicContact CE2-CD2 4.28Å; Y233-Y248 HydrophobicContact CG-CD2 4.03Å; Y233-Y248 HydrophobicContact CG-CE2 4.39Å; V245-Y248 HydrophobicContact CB-CE1 4.32Å; V245-Y248 HydrophobicContact CG1-CE1 4.43Å; V245-Y248 HydrophobicContact CG2-CE1 4.42Å; Y248-G252 PolarHBondContact O-N 2.68Å; Y248-S307 WeakPolarHBondContact CD1-OG 3.41Å; Y248-L308 HydrophobicContact CD1-CD2 4.27Å; Y248-L308 HydrophobicContact CD2-CD2 4.37Å; Y248-L308 HydrophobicContact CG-CD2 4.01Å
249	Q	94.5	Very high	93.7	Very high	74 Å²	74	34.2 Å²	34.2	35%	0.346	20%	0.201	S	C	.	.	H	α-helix	trans	-65.7	-50.9	175.1	-73.2	178.7	-12.4	0	0	111.3	V245 L246 F251 G252 E253	V245-Q249 HydrophobicContact CG1-CG 4.33Å; V245-Q249 VanDerWaalsContact CG1-NE2 3.34Å; V245-Q249 VanDerWaalsContact O-CG 3.28Å; V245-Q249 WeakPolarHBondContact O-CG 3.05Å; V245-Q249 PolarHBondContact O-N 2.98Å; L246-Q249 PolarHBondContact O-N 2.88Å; Q249-F251 VanDerWaalsContact C-N 3.34Å; Q249-G252 PolarHBondContact O-N 3.04Å; Q249-E253 WeakPolarHBondContact O-CG 3.35Å; Q249-E253 PolarHBondContact O-N 2.91Å
250	R	95.5	Very high	94	Very high	47 Å²	47	31.5 Å²	31.5	18%	0.177	18%	0.183	C	C	.	.	H	α-helix	trans	-68.7	-33.6	178.6	-62.3	-43.6	-176.4	142	16.4	112.3	L246 E253 L254 E272 M273 A276	L246-R250 WeakPolarHBondContact O-CB 3.01Å; L246-R250 VanDerWaalsContact O-CG 3.26Å; L246-R250 WeakPolarHBondContact O-CG 2.9Å; L246-R250 PolarHBondContact O-N 3.45Å; R250-E253 WeakPolarHBondContact CD-OE2 3.31Å; R250-E253 IonicContact CZ-OE2 3.63Å; R250-E253 IonicContact NE-OE2 2.59Å; R250-E253 IonicContact NH1-OE1 2.61Å; R250-E253 IonicContact NH1-OE2 3.93Å; R250-E253 PolarHBondContact NH1-OE2 2.86Å; R250-E253 PolarHBondContact O-N 3.48Å; R250-L254 WeakPolarHBondContact O-CB 3.27Å; R250-L254 PolarHBondContact O-N 3.4Å; R250-E272 IonicContact CZ-OE2 3.87Å; R250-E272 IonicContact NH1-OE2 2.68Å; R250-E272 PolarHBondContact NH1-OE2 2.74Å; R250-E272 IonicContact NH2-OE2 2.86Å; R250-E272 PolarHBondContact NH2-OE2 2.86Å; R250-M273 VanDerWaalsContact C-SD 3.52Å; R250-M273 HydrophobicContact CB-SD 3.76Å; R250-A276 HydrophobicContact CB-CB 4.07Å; R250-A276 HydrophobicContact CG-CB 3.85Å
251	F	97.1	Very high	94.3	Very high	1 Å²	1	27 Å²	27	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-46	171.4	-174.4	-120.9	0	0	0	110.8	L214 L217 L223 F227 L247 Q249 E253 L254 I255 M273 F300 L304	L214-F251 HydrophobicContact CD2-CD2 3.75Å; L214-F251 HydrophobicContact CD2-CE2 3.7Å; L217-F251 HydrophobicContact CB-CZ 4.08Å; L223-F251 HydrophobicContact CD2-CE1 4.37Å; L223-F251 HydrophobicContact CD2-CZ 4.4Å; L223-F251 HydrophobicContact CG-CE1 4.4Å; F227-F251 AromaticContact CD1-CD1 3.82Å; F227-F251 HydrophobicContact CD1-CD1 3.82Å; F227-F251 HydrophobicContact CD1-CE1 4.46Å; F227-F251 AromaticContact CD2-CD1 3.62Å; F227-F251 HydrophobicContact CD2-CD1 3.62Å; F227-F251 AromaticContact CD2-CE1 3.44Å; F227-F251 HydrophobicContact CD2-CE1 3.44Å; F227-F251 VanDerWaalsContact CD2-CE1 3.44Å; F227-F251 AromaticContact CE1-CD1 3.74Å; F227-F251 HydrophobicContact CE1-CD1 3.74Å; F227-F251 AromaticContact CE2-CD1 3.54Å; F227-F251 HydrophobicContact CE2-CD1 3.54Å; F227-F251 AromaticContact CE2-CE1 3.53Å; F227-F251 HydrophobicContact CE2-CE1 3.53Å; F227-F251 AromaticContact CG-CD1 3.77Å; F227-F251 HydrophobicContact CG-CD1 3.77Å; F227-F251 AromaticContact CG-CE1 3.95Å; F227-F251 HydrophobicContact CG-CE1 3.95Å; F227-F251 AromaticContact CZ-CD1 3.6Å; F227-F251 HydrophobicContact CZ-CD1 3.6Å; F227-F251 HydrophobicContact CZ-CE1 4.09Å; L247-F251 VanDerWaalsContact O-CB 3.24Å; L247-F251 WeakPolarHBondContact O-CB 2.93Å; L247-F251 PolarHBondContact O-N 3.2Å; Q249-F251 VanDerWaalsContact C-N 3.34Å; F251-E253 PolarHBondContact O-N 2.95Å; F251-L254 PolarHBondContact O-N 3.19Å; F251-I255 HydrophobicContact CD1-CG1 4.35Å; F251-I255 HydrophobicContact CD2-CG1 4.24Å; F251-I255 HydrophobicContact CE1-CD1 4.43Å; F251-I255 HydrophobicContact CE1-CG1 4.08Å; F251-I255 HydrophobicContact CE2-CD1 3.82Å; F251-I255 HydrophobicContact CE2-CG1 3.96Å; F251-I255 HydrophobicContact CG-CG1 4.43Å; F251-I255 HydrophobicContact CZ-CD1 3.78Å; F251-I255 HydrophobicContact CZ-CG1 3.87Å; F251-I255 VanDerWaalsContact O-CG1 3.25Å; F251-I255 WeakPolarHBondContact O-CG1 3.43Å; F251-I255 PolarHBondContact O-N 3.06Å; F251-M273 VanDerWaalsContact CA-SD 3.56Å; F251-M273 HydrophobicContact CB-CE 3.87Å; F251-M273 HydrophobicContact CB-SD 3.94Å; F251-M273 HydrophobicContact CD2-CE 4.14Å; F251-M273 HydrophobicContact CG-CE 4.41Å; F251-M273 PolarHBondContact N-SD 2.98Å; F251-F300 HydrophobicContact CB-CZ 4.26Å; F251-F300 HydrophobicContact CD1-CZ 4.44Å; F251-F300 AromaticContact CD2-CE1 3.98Å; F251-F300 HydrophobicContact CD2-CE1 3.98Å; F251-F300 AromaticContact CD2-CZ 3.61Å; F251-F300 HydrophobicContact CD2-CZ 3.61Å; F251-F300 AromaticContact CE2-CE1 3.87Å; F251-F300 HydrophobicContact CE2-CE1 3.87Å; F251-F300 HydrophobicContact CE2-CZ 4.01Å; F251-F300 HydrophobicContact CG-CE1 4.4Å; F251-F300 AromaticContact CG-CZ 3.85Å; F251-F300 HydrophobicContact CG-CZ 3.85Å; F251-F300 HydrophobicContact CZ-CE1 4.2Å; F251-L304 HydrophobicContact CD1-CD1 4.03Å; F251-L304 HydrophobicContact CD1-CD2 4.45Å; F251-L304 HydrophobicContact CE1-CD1 4.07Å
252	G	96.6	Very high	94.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.6	-39.4	175.2	0	0	0	0	0	114.3	Y233 Y248 Q249 R256	Y233-G252 WeakPolarHBondContact OH-CA 3.18Å; Y248-G252 PolarHBondContact O-N 2.68Å; Q249-G252 PolarHBondContact O-N 3.04Å; G252-R256 WeakPolarHBondContact O-CB 3.46Å; G252-R256 VanDerWaalsContact O-CG 3.24Å; G252-R256 WeakPolarHBondContact O-CG 3.41Å; G252-R256 PolarHBondContact O-N 3.06Å; G252-R256 PolarHBondContact O-NE 2.87Å
253	E	95.6	Very high	94.7	Very high	41 Å²	41	26.5 Å²	26.5	19%	0.192	13%	0.128	C	C	.	.	H	α-helix	trans	-60.6	-47.5	170.7	-72.8	-177	158.7	0	0	111.6	K96 Q249 R250 F251 R256 K257	K96-E253 IonicContact NZ-OE1 2.89Å; K96-E253 PolarHBondContact NZ-OE1 2.88Å; Q249-E253 WeakPolarHBondContact O-CG 3.35Å; Q249-E253 PolarHBondContact O-N 2.91Å; R250-E253 WeakPolarHBondContact CD-OE2 3.31Å; R250-E253 IonicContact CZ-OE2 3.63Å; R250-E253 IonicContact NE-OE2 2.59Å; R250-E253 IonicContact NH1-OE1 2.61Å; R250-E253 IonicContact NH1-OE2 3.93Å; R250-E253 PolarHBondContact NH1-OE2 2.86Å; R250-E253 PolarHBondContact O-N 3.48Å; F251-E253 PolarHBondContact O-N 2.95Å; E253-R256 PolarHBondContact O-N 3.07Å; E253-K257 WeakPolarHBondContact O-CG 3.16Å; E253-K257 PolarHBondContact O-N 3.08Å
254	L	96.6	Very high	94.7	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.031	12%	0.117	C	C	.	.	H	α-helix	trans	-62.7	-46.2	179.8	-179	64.3	0	0	0	112	L201 L214 R250 F251 R256 K257 I258 V268 P270 M273	L201-L254 HydrophobicContact CD2-CD1 4.07Å; L214-L254 HydrophobicContact CB-CD2 4.33Å; L214-L254 HydrophobicContact CD1-CD2 3.76Å; L214-L254 HydrophobicContact CD2-CD2 4.31Å; L214-L254 HydrophobicContact CG-CD2 4.35Å; R250-L254 WeakPolarHBondContact O-CB 3.27Å; R250-L254 PolarHBondContact O-N 3.4Å; F251-L254 PolarHBondContact O-N 3.19Å; L254-R256 VanDerWaalsContact C-N 3.3Å; L254-R256 PolarHBondContact O-N 3.17Å; L254-K257 PolarHBondContact O-N 3.37Å; L254-K257 VanDerWaalsContact O-N 3.11Å; L254-I258 HydrophobicContact CD1-CD1 4.07Å; L254-I258 HydrophobicContact CD1-CG1 4.18Å; L254-I258 HydrophobicContact CD2-CD1 4.27Å; L254-I258 HydrophobicContact CG-CD1 3.75Å; L254-I258 HydrophobicContact CG-CG1 4.29Å; L254-I258 WeakPolarHBondContact O-CG1 3.5Å; L254-I258 PolarHBondContact O-N 3.27Å; L254-V268 HydrophobicContact CD1-CG1 3.88Å; L254-P270 HydrophobicContact CD1-CB 4.25Å; L254-P270 HydrophobicContact CD2-CB 4.3Å; L254-M273 HydrophobicContact CB-CB 4.5Å; L254-M273 HydrophobicContact CD2-CB 3.95Å; L254-M273 HydrophobicContact CD2-CG 3.85Å
255	I	97	Very high	94.7	Very high	1 Å²	1	26 Å²	26	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-58.6	-43.3	178	-67.4	-61.8	0	0	0	111	R224 F227 L228 F251 K257 I258 W259	R224-I255 HydrophobicContact CG-CG2 4.15Å; F227-I255 HydrophobicContact CB-CB 4.16Å; F227-I255 HydrophobicContact CB-CG1 4.15Å; F227-I255 HydrophobicContact CB-CG2 4.11Å; L228-I255 HydrophobicContact CD2-CG2 3.87Å; L228-I255 HydrophobicContact CG-CG2 4.1Å; F251-I255 HydrophobicContact CD1-CG1 4.35Å; F251-I255 HydrophobicContact CD2-CG1 4.24Å; F251-I255 HydrophobicContact CE1-CD1 4.43Å; F251-I255 HydrophobicContact CE1-CG1 4.08Å; F251-I255 HydrophobicContact CE2-CD1 3.82Å; F251-I255 HydrophobicContact CE2-CG1 3.96Å; F251-I255 HydrophobicContact CG-CG1 4.43Å; F251-I255 HydrophobicContact CZ-CD1 3.78Å; F251-I255 HydrophobicContact CZ-CG1 3.87Å; F251-I255 VanDerWaalsContact O-CG1 3.25Å; F251-I255 WeakPolarHBondContact O-CG1 3.43Å; F251-I255 PolarHBondContact O-N 3.06Å; I255-K257 VanDerWaalsContact C-N 3.32Å; I255-K257 PolarHBondContact O-N 3.43Å; I255-I258 PolarHBondContact O-N 2.76Å; I255-W259 WeakPolarHBondContact O-CB 3.34Å; I255-W259 PolarHBondContact O-N 2.89Å; I255-W259 VanDerWaalsContact O-N 3.07Å
256	R	96.5	Very high	94.7	Very high	10 Å²	10	25.8 Å²	25.8	4%	0.038	12%	0.123	C	C	.	.	H	α-helix	trans	-62.2	-37.3	176.1	-73.9	-179.2	-68	172.5	-7.9	112.4	P169 Y171 L228 E230 G252 E253 L254 N260	P169-R256 HydrophobicContact CB-CB 4.15Å; P169-R256 HydrophobicContact CG-CB 4.26Å; P169-R256 WeakPolarHBondContact O-CD 3.41Å; Y171-R256 HydrophobicContact CD2-CG 4.28Å; Y171-R256 HydrophobicContact CE2-CB 4.06Å; Y171-R256 HydrophobicContact CE2-CG 3.95Å; Y171-R256 PolarHBondContact OH-O 3.28Å; L228-R256 HydrophobicContact CD2-CG 4.04Å; L228-R256 WeakPolarHBondContact O-CD 3.37Å; E230-R256 IonicContact OE2-CZ 3.4Å; E230-R256 IonicContact OE2-NH1 2.65Å; E230-R256 PolarHBondContact OE2-NH1 3.06Å; E230-R256 IonicContact OE2-NH2 3.68Å; E230-R256 PolarHBondContact OE2-NH2 3.4Å; G252-R256 WeakPolarHBondContact O-CB 3.46Å; G252-R256 VanDerWaalsContact O-CG 3.24Å; G252-R256 WeakPolarHBondContact O-CG 3.41Å; G252-R256 PolarHBondContact O-N 3.06Å; G252-R256 PolarHBondContact O-NE 2.87Å; E253-R256 PolarHBondContact O-N 3.07Å; L254-R256 VanDerWaalsContact C-N 3.3Å; L254-R256 PolarHBondContact O-N 3.17Å; R256-N260 WeakPolarHBondContact O-CB 3.25Å; R256-N260 PolarHBondContact O-N 2.71Å
257	K	95.5	Very high	94.8	Very high	18 Å²	18	25.9 Å²	25.9	8%	0.078	12%	0.122	C	C	.	.	H	α-helix	trans	-73.6	-41.8	176.9	-69.6	172.5	170.9	-165	0	113	F92 D93 P169 E253 L254 I255 W259 N260 N263 V268	F92-K257 PolarHBondContact O-NZ 2.96Å; D93-K257 WeakPolarHBondContact OD1-CD 3.12Å; D93-K257 WeakPolarHBondContact OD1-CE 3.14Å; D93-K257 IonicContact OD1-NZ 3.73Å; D93-K257 PolarHBondContact OD1-NZ 2.84Å; P169-K257 HydrophobicContact CG-CG 4.36Å; E253-K257 WeakPolarHBondContact O-CG 3.16Å; E253-K257 PolarHBondContact O-N 3.08Å; L254-K257 PolarHBondContact O-N 3.37Å; L254-K257 VanDerWaalsContact O-N 3.11Å; I255-K257 VanDerWaalsContact C-N 3.32Å; I255-K257 PolarHBondContact O-N 3.43Å; K257-W259 PolarHBondContact O-N 3.47Å; K257-N260 VanDerWaalsContact O-CB 3.29Å; K257-N260 WeakPolarHBondContact O-CB 3.26Å; K257-N260 PolarHBondContact O-N 3.44Å; K257-N263 PolarHBondContact O-ND2 3.34Å; K257-V268 HydrophobicContact CB-CG1 3.78Å; K257-V268 HydrophobicContact CB-CG2 4.16Å; K257-V268 HydrophobicContact CD-CG1 4.26Å
258	I	95.6	Very high	94.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.8	-40.3	176.4	-74.2	172.5	0	0	0	110.9	G197 V199 L201 L254 I255	G197-I258 PolarHBondContact N-O 2.8Å; V199-I258 HydrophobicContact CG2-CB 4.26Å; V199-I258 HydrophobicContact CG2-CG1 4.35Å; V199-I258 HydrophobicContact CG2-CG2 4.04Å; V199-I258 WeakPolarHBondContact CG2-O 3.38Å; L201-I258 HydrophobicContact CD1-CD1 4.37Å; L201-I258 HydrophobicContact CD2-CD1 4.18Å; L201-I258 HydrophobicContact CD2-CG1 4.16Å; L254-I258 HydrophobicContact CD1-CD1 4.07Å; L254-I258 HydrophobicContact CD1-CG1 4.18Å; L254-I258 HydrophobicContact CD2-CD1 4.27Å; L254-I258 HydrophobicContact CG-CD1 3.75Å; L254-I258 HydrophobicContact CG-CG1 4.29Å; L254-I258 WeakPolarHBondContact O-CG1 3.5Å; L254-I258 PolarHBondContact O-N 3.27Å; I255-I258 PolarHBondContact O-N 2.76Å
259	W	95.7	Very high	94.7	Very high	9 Å²	9	26 Å²	26	3%	0.034	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	12.8	-178	-77.7	93.7	0	0	0	113.6	Y171 L179 P196 S218 R224 L228 I255 K257 P261	Y171-W259 PolarHBondContact OH-O 2.84Å; L179-W259 HydrophobicContact CD1-CE3 4.39Å; L179-W259 HydrophobicContact CD2-CB 3.98Å; L179-W259 HydrophobicContact CD2-CD2 4.12Å; L179-W259 HydrophobicContact CD2-CE3 3.53Å; L179-W259 HydrophobicContact CD2-CG 4.34Å; L179-W259 HydrophobicContact CD2-CZ3 4.35Å; L179-W259 HydrophobicContact CG-CE3 3.58Å; L179-W259 HydrophobicContact CG-CZ3 4Å; P196-W259 HydrophobicContact CB-CE3 4.1Å; P196-W259 WeakPolarHBondContact O-CZ3 3.28Å; S218-W259 PolarHBondContact O-NE1 3.45Å; R224-W259 VanDerWaalsContact CD-CZ2 3.43Å; R224-W259 HydrophobicContact CG-CD2 4.38Å; R224-W259 HydrophobicContact CG-CG 4.38Å; R224-W259 HydrophobicContact CG-CZ2 4.48Å; L228-W259 HydrophobicContact CD2-CB 3.93Å; L228-W259 HydrophobicContact CD2-CG 4.49Å; I255-W259 WeakPolarHBondContact O-CB 3.34Å; I255-W259 PolarHBondContact O-N 2.89Å; I255-W259 VanDerWaalsContact O-N 3.07Å; K257-W259 PolarHBondContact O-N 3.47Å; W259-P261 VanDerWaalsContact O-CD 3.26Å; W259-P261 WeakPolarHBondContact O-CD 3.31Å
260	N	94.7	Very high	94.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.			trans	-74.4	117.6	-179.9	178.6	3.1	0	0	0	110.5	F165 P169 Y171 Y194 R256 K257 Q262 N263	F165-N260 WeakPolarHBondContact CD1-OD1 3.26Å; F165-N260 WeakPolarHBondContact CE1-OD1 3.35Å; P169-N260 HydrophobicContact CB-CB 4.44Å; P169-N260 HydrophobicContact CG-CB 4.23Å; Y171-N260 WeakPolarHBondContact OH-CA 3.42Å; Y171-N260 PolarHBondContact OH-N 2.79Å; Y171-N260 VanDerWaalsContact OH-N 3.12Å; Y194-N260 WeakPolarHBondContact CE2-O 3.48Å; Y194-N260 PolarHBondContact OH-O 3.34Å; Y194-N260 VanDerWaalsContact OH-O 3.09Å; R256-N260 WeakPolarHBondContact O-CB 3.25Å; R256-N260 PolarHBondContact O-N 2.71Å; K257-N260 VanDerWaalsContact O-CB 3.29Å; K257-N260 WeakPolarHBondContact O-CB 3.26Å; K257-N260 PolarHBondContact O-N 3.44Å; N260-Q262 PolarHBondContact O-N 3.44Å; N260-Q262 WeakPolarHBondContact OD1-CA 3.24Å; N260-Q262 PolarHBondContact OD1-N 3.19Å; N260-N263 VanDerWaalsContact CB-OD1 3.29Å; N260-N263 WeakPolarHBondContact CB-OD1 3.46Å; N260-N263 VanDerWaalsContact CG-OD1 3.29Å; N260-N263 PolarHBondContact ND2-OD1 3.27Å; N260-N263 PolarHBondContact O-ND2 3.27Å
261	P	93.3	Very high	94.6	Very high	42 Å²	42	22.4 Å²	22.4	27%	0.273	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-6.1	176.6	32	-37.2	0	0	0	114.6	F165 S186 Y194 P196 W259	F165-P261 HydrophobicContact CE1-CG 4.36Å; S186-P261 VanDerWaalsContact CB-O 3.29Å; S186-P261 WeakPolarHBondContact CB-O 3.47Å; S186-P261 PolarHBondContact OG-O 2.68Å; Y194-P261 VanDerWaalsContact OH-C 3.23Å; Y194-P261 PolarHBondContact OH-O 2.99Å; P196-P261 HydrophobicContact CG-CB 4Å; W259-P261 VanDerWaalsContact O-CD 3.26Å; W259-P261 WeakPolarHBondContact O-CD 3.31Å
262	Q	92.1	Very high	94.3	Very high	100 Å²	100	23 Å²	23	47%	0.467	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	32	-176.7	-61.5	-179.1	-20	0	0	111.8	F165 Y194 N260	F165-Q262 HydrophobicContact CD1-CB 3.97Å; F165-Q262 HydrophobicContact CD1-CG 4.45Å; F165-Q262 HydrophobicContact CE1-CB 4.24Å; F165-Q262 HydrophobicContact CE1-CG 4.44Å; Y194-Q262 PolarHBondContact OH-N 2.83Å; N260-Q262 PolarHBondContact O-N 3.44Å; N260-Q262 WeakPolarHBondContact OD1-CA 3.24Å; N260-Q262 PolarHBondContact OD1-N 3.19Å
263	N	92.4	Very high	94.3	Very high	9 Å²	9	23.1 Å²	23.1	5%	0.048	11%	0.112	C	C	.	.			trans	-60.6	146	171.8	-78.4	-34.6	0	0	0	111.6	A188 Y194 K257 N260 R265	A188-N263 VanDerWaalsContact CA-O 3.24Å; A188-N263 WeakPolarHBondContact CA-O 3.34Å; Y194-N263 WeakPolarHBondContact OH-CB 3.23Å; Y194-N263 PolarHBondContact OH-N 2.92Å; K257-N263 PolarHBondContact O-ND2 3.34Å; N260-N263 VanDerWaalsContact CB-OD1 3.29Å; N260-N263 WeakPolarHBondContact CB-OD1 3.46Å; N260-N263 VanDerWaalsContact CG-OD1 3.29Å; N260-N263 PolarHBondContact ND2-OD1 3.27Å; N260-N263 PolarHBondContact O-ND2 3.27Å; N263-R265 VanDerWaalsContact C-N 3.28Å; N263-R265 WeakPolarHBondContact CB-O 3.47Å
264	F	93.1	Very high	94.3	Very high	13 Å²	13	21.3 Å²	21.3	6%	0.057	10%	0.104	C	C	.	.	S	Bend	trans	-76.4	-18	173.8	-71.4	-1.4	0	0	0	113.1	R87 L90 D162 I163 L166 F189	R87-F264 HydrophobicContact CB-CD2 3.92Å; R87-F264 HydrophobicContact CB-CE2 3.7Å; R87-F264 HydrophobicContact CB-CZ 4.21Å; R87-F264 HydrophobicContact CG-CD2 4.45Å; R87-F264 HydrophobicContact CG-CE2 3.74Å; R87-F264 HydrophobicContact CG-CZ 3.89Å; R87-F264 VanDerWaalsContact O-CD2 3.24Å; R87-F264 WeakPolarHBondContact O-CD2 3.47Å; L90-F264 HydrophobicContact CB-CD2 4.29Å; L90-F264 HydrophobicContact CB-CE2 4.27Å; L90-F264 HydrophobicContact CD1-CE2 4.09Å; D162-F264 HydrophobicContact CB-CE1 4.18Å; D162-F264 HydrophobicContact CB-CZ 4.45Å; I163-F264 HydrophobicContact CG1-CE2 4.11Å; I163-F264 HydrophobicContact CG1-CZ 3.78Å; L166-F264 HydrophobicContact CD1-CB 4.47Å; L166-F264 HydrophobicContact CD1-CD1 4.45Å; L166-F264 HydrophobicContact CD1-CG 4.32Å; L166-F264 HydrophobicContact CD2-CB 4.15Å; L166-F264 HydrophobicContact CD2-CD1 4.13Å; L166-F264 HydrophobicContact CD2-CD2 3.23Å; L166-F264 HydrophobicContact CD2-CE1 4.35Å; L166-F264 HydrophobicContact CD2-CE2 3.47Å; L166-F264 VanDerWaalsContact CD2-CE2 3.47Å; L166-F264 HydrophobicContact CD2-CG 3.58Å; L166-F264 HydrophobicContact CD2-CZ 4.05Å; F189-F264 HydrophobicContact CB-CB 4.05Å; F189-F264 HydrophobicContact CB-CD1 4.15Å; F189-F264 HydrophobicContact CB-CG 4.19Å; F189-F264 PolarHBondContact N-O 3.22Å; F189-F264 VanDerWaalsContact N-O 3.14Å
265	R	92	Very high	94.1	Very high	86 Å²	86	24.2 Å²	24.2	33%	0.325	12%	0.117	S	C	.	.	S	Bend	trans	-138.2	152	177.6	-57.7	-179.4	-174.8	-177.8	2.7	109.8	Q88 N263 H267	Q88-R265 PolarHBondContact O-NH2 3.45Å; N263-R265 VanDerWaalsContact C-N 3.28Å; N263-R265 WeakPolarHBondContact CB-O 3.47Å; R265-H267 WeakPolarHBondContact CD-NE2 3.31Å; R265-H267 PolarHBondContact O-N 2.73Å; R265-H267 VanDerWaalsContact O-N 3.11Å
266	A	92.6	Very high	94	Very high	24 Å²	24	24.4 Å²	24.4	20%	0.198	12%	0.119	C	C	.	.	S	Bend	trans	-79.4	22.7	177.5	0	0	0	0	0	114.6	T192 Y194 G200	T192-A266 WeakPolarHBondContact OG1-CB 3.35Å; Y194-A266 HydrophobicContact CD1-CB 3.89Å; Y194-A266 HydrophobicContact CG-CB 4.13Å; G200-A266 PolarHBondContact N-O 3.04Å
267	H	93.6	Very high	94	Very high	58 Å²	58	24 Å²	24	27%	0.269	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	156.9	177.1	56.1	-95.2	0	0	0	110.7	G200 N202 R265 L508	G200-H267 CarbonylContact O-C 3.56Å; G200-H267 WeakPolarHBondContact O-CA 3.37Å; G200-H267 WeakPolarHBondContact O-CB 3.46Å; N202-H267 PolarHBondContact OD1-CD2 3.05Å; R265-H267 WeakPolarHBondContact CD-NE2 3.31Å; R265-H267 PolarHBondContact O-N 2.73Å; R265-H267 VanDerWaalsContact O-N 3.11Å; H267-L508 HydrophobicContact CB-CD2 3.64Å
268	V	94.7	Very high	94	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	137.4	-179.8	177.8	0	0	0	0	109.2	V199 G200 L201 N202 L254 K257 P270	V199-V268 HydrophobicContact CG2-CG2 4.31Å; G200-V268 PolarHBondContact O-N 3.27Å; L201-V268 VanDerWaalsContact CA-O 3.31Å; L201-V268 WeakPolarHBondContact CA-O 3.49Å; L201-V268 HydrophobicContact CD2-CB 4.01Å; L201-V268 HydrophobicContact CD2-CG1 4.39Å; L201-V268 VanDerWaalsContact CD2-O 3.32Å; L201-V268 WeakPolarHBondContact CD2-O 3.46Å; N202-V268 PolarHBondContact N-O 3.25Å; N202-V268 VanDerWaalsContact N-O 3.08Å; L254-V268 HydrophobicContact CD1-CG1 3.88Å; K257-V268 HydrophobicContact CB-CG1 3.78Å; K257-V268 HydrophobicContact CB-CG2 4.16Å; K257-V268 HydrophobicContact CD-CG1 4.26Å; V268-P270 WeakPolarHBondContact O-CD 3.41Å
269	S	94	Very high	94	Very high	6 Å²	6	29 Å²	29	4%	0.042	15%	0.146	C	C	.	.			trans	-84.9	122.1	172.8	177.5	0	0	0	0	110.6	D93 H271	D93-S269 PolarHBondContact OD2-N 3.01Å; S269-H271 PolarHBondContact O-N 3.3Å
270	P	94.2	Very high	94	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.013	15%	0.145	C	C	.	.			trans	-82.3	16.3	177.2	33.9	-35	0	0	0	113	L201 N211 L254 V268 E272 M273 L274	L201-P270 HydrophobicContact CB-CG 4.35Å; L201-P270 HydrophobicContact CD2-CB 4.36Å; L201-P270 HydrophobicContact CD2-CG 4.49Å; N211-P270 WeakPolarHBondContact OD1-CG 3.22Å; L254-P270 HydrophobicContact CD1-CB 4.25Å; L254-P270 HydrophobicContact CD2-CB 4.3Å; V268-P270 WeakPolarHBondContact O-CD 3.41Å; P270-E272 PolarHBondContact O-N 3.2Å; P270-M273 WeakPolarHBondContact O-CA 3.42Å; P270-M273 WeakPolarHBondContact O-CB 3.5Å; P270-M273 PolarHBondContact O-N 2.81Å; P270-L274 HydrophobicContact CB-CG 4.37Å; P270-L274 HydrophobicContact CG-CD1 4.19Å; P270-L274 HydrophobicContact CG-CG 4.44Å; P270-L274 WeakPolarHBondContact O-CG 3.4Å; P270-L274 PolarHBondContact O-N 2.86Å
271	H	93	Very high	94	Very high	42 Å²	42	29 Å²	29	19%	0.194	15%	0.147	C	C	.	.	H	α-helix	trans	-51.6	-54.5	-169.8	-175.6	-91.7	0	0	0	114	F94 I204 S269 M273 L274 Q275	F94-H271 HydrophobicContact CD1-CB 4.19Å; F94-H271 HydrophobicContact CE1-CB 4.35Å; I204-H271 HydrophobicContact CD1-CB 3.8Å; S269-H271 PolarHBondContact O-N 3.3Å; H271-M273 PolarHBondContact O-N 3.26Å; H271-L274 PolarHBondContact O-N 3.22Å; H271-L274 VanDerWaalsContact O-N 3.15Å; H271-Q275 PolarHBondContact CE1-NE2 3.31Å; H271-Q275 PolarHBondContact O-N 3.47Å
272	E	92.8	Very high	94.1	Very high	14 Å²	14	32.1 Å²	32.1	7%	0.065	16%	0.162	C	C	.	.	H	α-helix	trans	-58.7	-38.3	178.4	-67.3	-68.5	95.8	0	0	112.1	D93 E95 R250 P270 Q275 A276	D93-E272 WeakPolarHBondContact O-CG 3.38Å; E95-E272 VanDerWaalsContact CA-CD 3.48Å; E95-E272 WeakPolarHBondContact CA-OE1 3.24Å; E95-E272 VanDerWaalsContact CB-OE1 3.31Å; E95-E272 WeakPolarHBondContact CB-OE1 3.27Å; E95-E272 PolarHBondContact N-OE1 3.35Å; R250-E272 IonicContact CZ-OE2 3.87Å; R250-E272 IonicContact NH1-OE2 2.68Å; R250-E272 PolarHBondContact NH1-OE2 2.74Å; R250-E272 IonicContact NH2-OE2 2.86Å; R250-E272 PolarHBondContact NH2-OE2 2.86Å; P270-E272 PolarHBondContact O-N 3.2Å; E272-Q275 PolarHBondContact O-N 3Å; E272-Q275 PolarHBondContact OE1-OE1 2.87Å; E272-Q275 VanDerWaalsContact OE1-OE1 3.1Å; E272-A276 PolarHBondContact O-N 3.25Å
273	M	95.4	Very high	94.1	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.015	17%	0.17	C	C	.	.	H	α-helix	trans	-66.2	-44.3	178.2	-178.2	59.3	-164.2	0	0	110.8	L214 L247 R250 F251 L254 P270 H271 A276 V277 F300	L214-M273 HydrophobicContact CD1-CG 4.11Å; L214-M273 HydrophobicContact CD2-CE 4.13Å; L214-M273 HydrophobicContact CD2-CG 4.32Å; L247-M273 HydrophobicContact CD1-CE 3.98Å; R250-M273 VanDerWaalsContact C-SD 3.52Å; R250-M273 HydrophobicContact CB-SD 3.76Å; F251-M273 VanDerWaalsContact CA-SD 3.56Å; F251-M273 HydrophobicContact CB-CE 3.87Å; F251-M273 HydrophobicContact CB-SD 3.94Å; F251-M273 HydrophobicContact CD2-CE 4.14Å; F251-M273 HydrophobicContact CG-CE 4.41Å; F251-M273 PolarHBondContact N-SD 2.98Å; L254-M273 HydrophobicContact CB-CB 4.5Å; L254-M273 HydrophobicContact CD2-CB 3.95Å; L254-M273 HydrophobicContact CD2-CG 3.85Å; P270-M273 WeakPolarHBondContact O-CA 3.42Å; P270-M273 WeakPolarHBondContact O-CB 3.5Å; P270-M273 PolarHBondContact O-N 2.81Å; H271-M273 PolarHBondContact O-N 3.26Å; M273-A276 WeakPolarHBondContact O-CB 3.23Å; M273-A276 PolarHBondContact O-N 3.33Å; M273-V277 HydrophobicContact CE-CG2 3.88Å; M273-V277 WeakPolarHBondContact O-CG2 3.37Å; M273-V277 PolarHBondContact O-N 2.85Å; M273-F300 HydrophobicContact CE-CD2 4.4Å; M273-F300 HydrophobicContact CE-CE2 3.22Å; M273-F300 HydrophobicContact CE-CZ 3.36Å
274	L	95.1	Very high	94.2	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-66.8	-38	178.4	-62.6	176.9	0	0	0	112.1	I204 N207 C210 P270 H271 A276 V277 V278 I287	I204-L274 HydrophobicContact CD1-CD1 3.68Å; N207-L274 HydrophobicContact CB-CD1 3.76Å; N207-L274 HydrophobicContact CB-CD2 4.32Å; N207-L274 VanDerWaalsContact ND2-CD1 3.34Å; N207-L274 WeakPolarHBondContact ND2-CD1 3.29Å; C210-L274 HydrophobicContact CB-CD2 3.59Å; P270-L274 HydrophobicContact CB-CG 4.37Å; P270-L274 HydrophobicContact CG-CD1 4.19Å; P270-L274 HydrophobicContact CG-CG 4.44Å; P270-L274 WeakPolarHBondContact O-CG 3.4Å; P270-L274 PolarHBondContact O-N 2.86Å; H271-L274 PolarHBondContact O-N 3.22Å; H271-L274 VanDerWaalsContact O-N 3.15Å; L274-A276 VanDerWaalsContact C-N 3.33Å; L274-A276 PolarHBondContact O-N 3.43Å; L274-V277 WeakPolarHBondContact O-CB 3.45Å; L274-V277 PolarHBondContact O-N 3.28Å; L274-V278 VanDerWaalsContact O-CG2 3.24Å; L274-V278 WeakPolarHBondContact O-CG2 3.31Å; L274-V278 PolarHBondContact O-N 2.9Å; L274-I287 HydrophobicContact CB-CD1 3.78Å; L274-I287 HydrophobicContact CB-CG1 3.7Å; L274-I287 HydrophobicContact CD1-CG1 4.12Å; L274-I287 HydrophobicContact CD1-CG2 4.39Å; L274-I287 HydrophobicContact CG-CG1 4.5Å
275	Q	93.6	Very high	94.2	Very high	66 Å²	66	38.4 Å²	38.4	31%	0.308	20%	0.195	S	C	.	.	H	α-helix	trans	-60.6	-43.4	172.8	-73.9	-176.6	-37.4	0	0	111.5	H271 E272 V277 V278 L279	H271-Q275 PolarHBondContact CE1-NE2 3.31Å; H271-Q275 PolarHBondContact O-N 3.47Å; E272-Q275 PolarHBondContact O-N 3Å; E272-Q275 PolarHBondContact OE1-OE1 2.87Å; E272-Q275 VanDerWaalsContact OE1-OE1 3.1Å; Q275-V277 VanDerWaalsContact C-N 3.32Å; Q275-V277 PolarHBondContact O-N 3.4Å; Q275-V278 PolarHBondContact O-N 3.09Å; Q275-L279 WeakPolarHBondContact O-CB 3.16Å; Q275-L279 PolarHBondContact O-N 3.18Å
276	A	95.1	Very high	94.2	Very high	6 Å²	6	37.9 Å²	37.9	5%	0.05	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-41.1	174.1	0	0	0	0	0	111.8	L246 R250 E272 M273 L274 L279 C280	L246-A276 HydrophobicContact CB-CB 4.29Å; R250-A276 HydrophobicContact CB-CB 4.07Å; R250-A276 HydrophobicContact CG-CB 3.85Å; E272-A276 PolarHBondContact O-N 3.25Å; M273-A276 WeakPolarHBondContact O-CB 3.23Å; M273-A276 PolarHBondContact O-N 3.33Å; L274-A276 VanDerWaalsContact C-N 3.33Å; L274-A276 PolarHBondContact O-N 3.43Å; A276-L279 PolarHBondContact O-N 3.32Å; A276-C280 VanDerWaalsContact O-CB 3.23Å; A276-C280 WeakPolarHBondContact O-CB 3.46Å; A276-C280 PolarHBondContact O-N 2.93Å; A276-C280 PolarHBondContact O-SG 3.26Å
277	V	96.5	Very high	94.1	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-49.2	174.4	165	0	0	0	0	111.5	L247 M273 L274 Q275 L279 C280 S281 F285 F296 W299	L247-V277 HydrophobicContact CD1-CG2 4.1Å; M273-V277 HydrophobicContact CE-CG2 3.88Å; M273-V277 WeakPolarHBondContact O-CG2 3.37Å; M273-V277 PolarHBondContact O-N 2.85Å; L274-V277 WeakPolarHBondContact O-CB 3.45Å; L274-V277 PolarHBondContact O-N 3.28Å; Q275-V277 VanDerWaalsContact C-N 3.32Å; Q275-V277 PolarHBondContact O-N 3.4Å; V277-L279 VanDerWaalsContact C-N 3.31Å; V277-L279 PolarHBondContact O-N 3.09Å; V277-C280 PolarHBondContact O-N 3.24Å; V277-S281 WeakPolarHBondContact O-CB 3.45Å; V277-S281 PolarHBondContact O-N 3.34Å; V277-S281 PolarHBondContact O-OG 3.15Å; V277-F285 HydrophobicContact CG1-CB 3.72Å; V277-F296 HydrophobicContact CB-CE2 4.49Å; V277-F296 HydrophobicContact CG1-CD2 4.38Å; V277-F296 HydrophobicContact CG1-CE2 3.66Å; V277-F296 HydrophobicContact CG2-CE2 3.95Å; V277-F296 HydrophobicContact CG2-CZ 4.17Å; V277-W299 HydrophobicContact CB-CH2 4.4Å; V277-W299 HydrophobicContact CB-CZ3 4.43Å; V277-W299 HydrophobicContact CG1-CH2 4.1Å; V277-W299 HydrophobicContact CG1-CZ3 3.86Å; V277-W299 HydrophobicContact CG2-CH2 4.41Å; V277-W299 HydrophobicContact CG2-CZ3 4.2Å
278	V	95.6	Very high	93.9	Very high	34 Å²	34	39.7 Å²	39.7	21%	0.206	21%	0.207	C	C	.	.	H	α-helix	trans	-58.6	-45.1	179.5	172.9	0	0	0	0	110.6	L274 Q275 S281 N282 K283 F285 I287	L274-V278 VanDerWaalsContact O-CG2 3.24Å; L274-V278 WeakPolarHBondContact O-CG2 3.31Å; L274-V278 PolarHBondContact O-N 2.9Å; Q275-V278 PolarHBondContact O-N 3.09Å; V278-S281 PolarHBondContact O-OG 3.32Å; V278-N282 PolarHBondContact O-N 3.09Å; V278-K283 HydrophobicContact CG1-CG 4.17Å; V278-K283 PolarHBondContact O-N 3.47Å; V278-F285 VanDerWaalsContact CG2-O 3.3Å; V278-F285 WeakPolarHBondContact CG2-O 3.43Å; V278-I287 HydrophobicContact CG2-CD1 4.22Å; V278-I287 HydrophobicContact CG2-CG1 3.96Å
279	L	95.2	Very high	93.7	Very high	89 Å²	89	45.1 Å²	45.1	47%	0.466	23%	0.231	S	C	.	.	H	α-helix	trans	-68.1	-47.4	-179.1	-177.9	64.2	0	0	0	112.1	K243 L246 Q275 A276 V277 N282	K243-L279 HydrophobicContact CB-CD2 4.43Å; K243-L279 HydrophobicContact CB-CG 4.48Å; K243-L279 HydrophobicContact CD-CG 4.29Å; K243-L279 PolarHBondContact NZ-O 3.47Å; L246-L279 HydrophobicContact CD1-CD2 3.67Å; Q275-L279 WeakPolarHBondContact O-CB 3.16Å; Q275-L279 PolarHBondContact O-N 3.18Å; A276-L279 PolarHBondContact O-N 3.32Å; V277-L279 VanDerWaalsContact C-N 3.31Å; V277-L279 PolarHBondContact O-N 3.09Å; L279-N282 PolarHBondContact O-N 3.36Å
280	C	95.5	Very high	93.5	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.014	23%	0.233	C	C	.	.	H	α-helix	trans	-69.4	-35.5	-178.2	-66.7	0	0	0	0	112	K243 M244 L247 A276 V277 N282 W299	K243-C280 PolarHBondContact O-SG 2.7Å; K243-C280 VanDerWaalsContact O-SG 3.32Å; M244-C280 HydrophobicContact CE-CB 4.27Å; M244-C280 VanDerWaalsContact CE-O 3.27Å; M244-C280 WeakPolarHBondContact CE-O 3.36Å; M244-C280 HydrophobicContact SD-CB 3.74Å; L247-C280 HydrophobicContact CD1-CB 4.31Å; A276-C280 VanDerWaalsContact O-CB 3.23Å; A276-C280 WeakPolarHBondContact O-CB 3.46Å; A276-C280 PolarHBondContact O-N 2.93Å; A276-C280 PolarHBondContact O-SG 3.26Å; V277-C280 PolarHBondContact O-N 3.24Å; C280-N282 VanDerWaalsContact C-N 3.28Å; C280-N282 PolarHBondContact O-N 2.95Å; C280-W299 HydrophobicContact CB-CH2 4.19Å; C280-W299 HydrophobicContact CB-CZ2 3.99Å
281	S	94.8	Very high	93.4	Very high	5 Å²	5	46.9 Å²	46.9	4%	0.035	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	4.2	179.9	69.5	0	0	0	0	114.4	V277 V278 K283 V284 F285 W299	V277-S281 WeakPolarHBondContact O-CB 3.45Å; V277-S281 PolarHBondContact O-N 3.34Å; V277-S281 PolarHBondContact O-OG 3.15Å; V278-S281 PolarHBondContact O-OG 3.32Å; S281-K283 VanDerWaalsContact C-N 3.28Å; S281-K283 PolarHBondContact O-N 2.98Å; S281-V284 WeakPolarHBondContact O-CB 3.34Å; S281-V284 WeakPolarHBondContact O-CG2 3.24Å; S281-V284 PolarHBondContact O-N 3Å; S281-V284 VanDerWaalsContact O-N 3.15Å; S281-F285 PolarHBondContact OG-N 3.49Å; S281-W299 VanDerWaalsContact CB-CZ2 3.47Å
282	N	94.2	Very high	93.3	Very high	109 Å²	109	46.7 Å²	46.7	58%	0.583	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	42	-174.4	-65.5	-44.3	0	0	0	112.9	K243 V278 L279 C280 V284	K243-N282 PolarHBondContact NZ-OD1 2.89Å; V278-N282 PolarHBondContact O-N 3.09Å; L279-N282 PolarHBondContact O-N 3.36Å; C280-N282 VanDerWaalsContact C-N 3.28Å; C280-N282 PolarHBondContact O-N 2.95Å; N282-V284 PolarHBondContact O-N 2.91Å
283	K	93	Very high	93.4	Very high	148 Å²	148	46 Å²	46	64%	0.643	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	19.1	-178.2	-50.8	178.2	178.8	178.5	0	115.1	V278 S281 Q286	V278-K283 HydrophobicContact CG1-CG 4.17Å; V278-K283 PolarHBondContact O-N 3.47Å; S281-K283 VanDerWaalsContact C-N 3.28Å; S281-K283 PolarHBondContact O-N 2.98Å; K283-Q286 HydrophobicContact CB-CG 4.49Å; K283-Q286 VanDerWaalsContact O-CG 3.29Å; K283-Q286 WeakPolarHBondContact O-CG 2.96Å; K283-Q286 PolarHBondContact O-NE2 2.86Å
284	V	93.9	Very high	93.4	Very high	95 Å²	95	46.3 Å²	46.3	58%	0.576	24%	0.24	S	C	*	.	S	Bend	trans	-65.8	-48.1	169.3	172.2	0	0	0	0	109.9	S281 N282	S281-V284 WeakPolarHBondContact O-CB 3.34Å; S281-V284 WeakPolarHBondContact O-CG2 3.24Å; S281-V284 PolarHBondContact O-N 3Å; S281-V284 VanDerWaalsContact O-N 3.15Å; N282-V284 PolarHBondContact O-N 2.91Å
285	F	94.2	Very high	93.4	Very high	10 Å²	10	50.9 Å²	50.9	4%	0.044	26%	0.264	C	S	.	.	S	Bend	trans	-101.9	105.6	176.4	-57.9	-69.5	0	0	0	109.5	Y209 V277 V278 S281 D295 F296 W299	Y209-F285 HydrophobicContact CE2-CB 4.45Å; Y209-F285 AromaticContact CE2-CD1 3.97Å; Y209-F285 HydrophobicContact CE2-CD1 3.97Å; V277-F285 HydrophobicContact CG1-CB 3.72Å; V278-F285 VanDerWaalsContact CG2-O 3.3Å; V278-F285 WeakPolarHBondContact CG2-O 3.43Å; S281-F285 PolarHBondContact OG-N 3.49Å; F285-D295 HydrophobicContact CE1-CB 4.21Å; F285-D295 HydrophobicContact CZ-CB 4.36Å; F285-F296 HydrophobicContact CB-CD2 4.34Å; F285-F296 HydrophobicContact CD1-CB 4.03Å; F285-F296 HydrophobicContact CD1-CD2 4.04Å; F285-F296 HydrophobicContact CD2-CD2 4.11Å; F285-F296 HydrophobicContact CE1-CB 3.84Å; F285-F296 HydrophobicContact CE1-CD2 4.42Å; F285-F296 AromaticContact CG-CD2 3.88Å; F285-F296 HydrophobicContact CG-CD2 3.88Å; F285-F296 HydrophobicContact CZ-CB 4.37Å; F285-W299 AromaticContact CD2-CD2 3.79Å; F285-W299 HydrophobicContact CD2-CD2 3.79Å; F285-W299 AromaticContact CD2-CE3 3.64Å; F285-W299 HydrophobicContact CD2-CE3 3.64Å; F285-W299 HydrophobicContact CD2-CG 4.23Å; F285-W299 HydrophobicContact CD2-CZ3 4.12Å; F285-W299 HydrophobicContact CE2-CB 3.54Å; F285-W299 AromaticContact CE2-CD2 3.45Å; F285-W299 HydrophobicContact CE2-CD2 3.45Å; F285-W299 VanDerWaalsContact CE2-CD2 3.45Å; F285-W299 AromaticContact CE2-CE3 3.63Å; F285-W299 HydrophobicContact CE2-CE3 3.63Å; F285-W299 AromaticContact CE2-CG 3.4Å; F285-W299 HydrophobicContact CE2-CG 3.4Å; F285-W299 VanDerWaalsContact CE2-CG 3.4Å; F285-W299 HydrophobicContact CZ-CB 3.84Å; F285-W299 HydrophobicContact CZ-CG 4.21Å
286	Q	91.5	Very high	93.6	Very high	76 Å²	76	47.7 Å²	47.7	36%	0.355	25%	0.25	S	C	.	.			trans	-100.7	155.4	-177.2	-61.1	178.5	23	0	0	111	Y209 K283 K289	Y209-Q286 PolarHBondContact OH-N 3.04Å; Y209-Q286 PolarHBondContact OH-O 3.2Å; K283-Q286 HydrophobicContact CB-CG 4.49Å; K283-Q286 VanDerWaalsContact O-CG 3.29Å; K283-Q286 WeakPolarHBondContact O-CG 2.96Å; K283-Q286 PolarHBondContact O-NE2 2.86Å; Q286-K289 HydrophobicContact CB-CB 4.34Å
287	I	90.2	Very high	93.7	Very high	29 Å²	29	47.6 Å²	47.6	15%	0.149	25%	0.248	C	C	.	.	S	Bend	trans	-74.4	-36.2	174.1	-62.5	166	0	0	0	110.6	I204 K205 N206 L274 V278	I204-I287 HydrophobicContact CB-CG2 3.81Å; I204-I287 HydrophobicContact CG2-CG2 3.69Å; K205-I287 HydrophobicContact CB-CG2 4.48Å; K205-I287 WeakPolarHBondContact CB-O 3.39Å; N206-I287 CarbonylContact C-O 3.59Å; N206-I287 PolarHBondContact N-O 2.6Å; L274-I287 HydrophobicContact CB-CD1 3.78Å; L274-I287 HydrophobicContact CB-CG1 3.7Å; L274-I287 HydrophobicContact CD1-CG1 4.12Å; L274-I287 HydrophobicContact CD1-CG2 4.39Å; L274-I287 HydrophobicContact CG-CG1 4.5Å; V278-I287 HydrophobicContact CG2-CD1 4.22Å; V278-I287 HydrophobicContact CG2-CG1 3.96Å
288	T	88.9	Confident	93.7	Very high	91 Å²	91	48.3 Å²	48.3	56%	0.558	25%	0.254	S	S	*	.	S	Bend	trans	-82.2	-15.6	-174.1	49.5	0	0	0	0	114.1	K205 N206	K205-T288 HydrophobicContact CG-CG2 4.38Å; N206-T288 PolarHBondContact ND2-O 3.45Å
289	K	90.2	Very high	93.8	Very high	116 Å²	116	48.9 Å²	48.9	50%	0.504	25%	0.253	S	S	.	.	S	Bend	trans	-128.7	121	-176.2	-177	-177.6	177.5	-177	0	109.4	Q286 S291	Q286-K289 HydrophobicContact CB-CB 4.34Å; K289-S291 PolarHBondContact O-N 3.04Å
290	Q	90.5	Very high	93.9	Very high	18 Å²	18	44.7 Å²	44.7	8%	0.084	23%	0.231	C	C	.	.			trans	-61.4	135.6	174.9	-154.8	-179.5	33.5	0	0	110.4	N206 D208 Y209 G488 Y490	N206-Q290 HydrophobicContact CB-CB 4.07Å; N206-Q290 WeakPolarHBondContact O-CA 3.23Å; D208-Q290 WeakPolarHBondContact OD1-CG 3.31Å; D208-Q290 PolarHBondContact OD1-NE2 3.01Å; D208-Q290 PolarHBondContact OD2-NE2 3.1Å; Y209-Q290 HydrophobicContact CD1-CG 3.96Å; Q290-G488 PolarHBondContact NE2-O 3.16Å; Q290-G488 PolarHBondContact OE1-O 3.26Å; Q290-Y490 HydrophobicContact CG-CE2 4.41Å
291	S	91.7	Very high	94	Very high	27 Å²	27	44.6 Å²	44.6	19%	0.189	23%	0.23	C	C	.	.			trans	-122	170.9	173.8	-59	0	0	0	0	109.7	Y209 K289 A293	Y209-S291 VanDerWaalsContact CB-O 3.24Å; Y209-S291 WeakPolarHBondContact CB-O 3.45Å; K289-S291 PolarHBondContact O-N 3.04Å; S291-A293 PolarHBondContact O-N 2.91Å
292	D	92.3	Very high	94	Very high	37 Å²	37	46.8 Å²	46.8	20%	0.198	24%	0.241	C	C	.	.			trans	-73	128.3	178.5	-162.9	-33	0	0	0	111	I294 D295 F296 Y490 Y524	D292-I294 PolarHBondContact O-N 3.49Å; D292-I294 WeakPolarHBondContact OD1-CG2 3.37Å; D292-I294 PolarHBondContact OD1-N 2.93Å; D292-D295 HydrophobicContact CB-CB 4.3Å; D292-D295 PolarHBondContact O-N 3.02Å; D292-F296 PolarHBondContact O-N 2.79Å; D292-Y490 PolarHBondContact OD1-OH 3.15Å; D292-Y524 VanDerWaalsContact OD1-CE1 3.23Å; D292-Y524 WeakPolarHBondContact OD1-CE1 2.99Å; D292-Y524 VanDerWaalsContact OD1-CZ 3.24Å; D292-Y524 PolarHBondContact OD1-OH 3.19Å; D292-Y524 PolarHBondContact OD2-OH 3.13Å
293	A	94.8	Very high	94.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.9	-31	177.6	0	0	0	0	0	113.2	V212 V213 S291 L297 Y490 Y524 I525	V212-A293 HydrophobicContact CG2-CB 4.46Å; V213-A293 HydrophobicContact CG2-CB 4.09Å; S291-A293 PolarHBondContact O-N 2.91Å; A293-L297 VanDerWaalsContact O-CB 3.27Å; A293-L297 WeakPolarHBondContact O-CB 3.36Å; A293-L297 PolarHBondContact O-N 2.85Å; A293-Y490 HydrophobicContact CB-CD1 4.02Å; A293-Y490 HydrophobicContact CB-CE1 3.54Å; A293-Y490 PolarHBondContact N-OH 3.3Å; A293-Y524 HydrophobicContact CB-CD1 4.4Å; A293-Y524 HydrophobicContact CB-CE1 4.15Å; A293-I525 HydrophobicContact CB-CD1 4.09Å
294	I	95.5	Very high	94.3	Very high	9 Å²	9	34.9 Å²	34.9	5%	0.046	19%	0.186	C	C	.	.	H	α-helix	trans	-73.2	-39	178.3	-169.6	57.6	0	0	0	112.2	D292 F296 L297 A298 Y364 F427 Y524 I525	D292-I294 PolarHBondContact O-N 3.49Å; D292-I294 WeakPolarHBondContact OD1-CG2 3.37Å; D292-I294 PolarHBondContact OD1-N 2.93Å; I294-F296 VanDerWaalsContact C-N 3.33Å; I294-L297 HydrophobicContact CD1-CD2 4.17Å; I294-L297 PolarHBondContact O-N 2.89Å; I294-A298 VanDerWaalsContact O-CB 3.31Å; I294-A298 WeakPolarHBondContact O-CB 3.45Å; I294-A298 PolarHBondContact O-N 3.35Å; I294-Y364 HydrophobicContact CD1-CD2 4.32Å; I294-Y364 HydrophobicContact CD1-CE2 4.22Å; I294-F427 HydrophobicContact CB-CD2 3.97Å; I294-F427 HydrophobicContact CB-CE2 3.73Å; I294-F427 HydrophobicContact CB-CG 4.48Å; I294-F427 HydrophobicContact CB-CZ 4.03Å; I294-F427 HydrophobicContact CD1-CB 3.84Å; I294-F427 HydrophobicContact CD1-CD1 4.13Å; I294-F427 HydrophobicContact CD1-CD2 3.77Å; I294-F427 HydrophobicContact CD1-CE2 4.38Å; I294-F427 HydrophobicContact CD1-CG 3.63Å; I294-F427 HydrophobicContact CG1-CB 4.45Å; I294-F427 HydrophobicContact CG1-CD1 3.82Å; I294-F427 HydrophobicContact CG1-CD2 3.7Å; I294-F427 HydrophobicContact CG1-CE1 3.94Å; I294-F427 HydrophobicContact CG1-CE2 3.81Å; I294-F427 HydrophobicContact CG1-CG 3.71Å; I294-F427 HydrophobicContact CG1-CZ 3.93Å; I294-F427 HydrophobicContact CG2-CE1 4.34Å; I294-F427 HydrophobicContact CG2-CE2 3.9Å; I294-F427 HydrophobicContact CG2-CZ 3.75Å; I294-Y524 HydrophobicContact CB-CE1 4.43Å; I294-Y524 WeakPolarHBondContact CG2-OH 3.12Å; I294-I525 HydrophobicContact CB-CD1 4.17Å; I294-I525 HydrophobicContact CD1-CD1 4.12Å; I294-I525 HydrophobicContact CD1-CG1 4.36Å
295	D	95	Very high	94.3	Very high	99 Å²	99	30.7 Å²	30.7	53%	0.529	16%	0.16	S	C	.	.	H	α-helix	trans	-66.1	-42.2	177.4	-71.7	-22.9	0	0	0	109.8	F285 D292 W299	F285-D295 HydrophobicContact CE1-CB 4.21Å; F285-D295 HydrophobicContact CZ-CB 4.36Å; D292-D295 HydrophobicContact CB-CB 4.3Å; D292-D295 PolarHBondContact O-N 3.02Å; D295-W299 WeakPolarHBondContact O-CB 3.28Å; D295-W299 PolarHBondContact O-N 3.32Å
296	F	96.9	Very high	94.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-50	172.9	177.8	-111.4	0	0	0	111.6	Y209 C210 V213 V277 F285 D292 I294 A298 W299 F300	Y209-F296 HydrophobicContact CD2-CB 3.84Å; Y209-F296 HydrophobicContact CD2-CD1 4.46Å; Y209-F296 HydrophobicContact CD2-CG 4.1Å; Y209-F296 HydrophobicContact CE2-CB 3.95Å; Y209-F296 HydrophobicContact CE2-CD2 4.23Å; Y209-F296 HydrophobicContact CE2-CG 4.03Å; C210-F296 HydrophobicContact CB-CE1 4.07Å; C210-F296 HydrophobicContact CB-CZ 4.2Å; V213-F296 HydrophobicContact CB-CD1 3.68Å; V213-F296 HydrophobicContact CB-CE1 3.77Å; V213-F296 HydrophobicContact CG1-CD1 3.69Å; V213-F296 HydrophobicContact CG1-CE1 3.63Å; V213-F296 HydrophobicContact CG2-CD1 3.94Å; V277-F296 HydrophobicContact CB-CE2 4.49Å; V277-F296 HydrophobicContact CG1-CD2 4.38Å; V277-F296 HydrophobicContact CG1-CE2 3.66Å; V277-F296 HydrophobicContact CG2-CE2 3.95Å; V277-F296 HydrophobicContact CG2-CZ 4.17Å; F285-F296 HydrophobicContact CB-CD2 4.34Å; F285-F296 HydrophobicContact CD1-CB 4.03Å; F285-F296 HydrophobicContact CD1-CD2 4.04Å; F285-F296 HydrophobicContact CD2-CD2 4.11Å; F285-F296 HydrophobicContact CE1-CB 3.84Å; F285-F296 HydrophobicContact CE1-CD2 4.42Å; F285-F296 AromaticContact CG-CD2 3.88Å; F285-F296 HydrophobicContact CG-CD2 3.88Å; F285-F296 HydrophobicContact CZ-CB 4.37Å; D292-F296 PolarHBondContact O-N 2.79Å; I294-F296 VanDerWaalsContact C-N 3.33Å; F296-A298 PolarHBondContact O-N 2.81Å; F296-W299 AromaticContact CD2-CE3 3.97Å; F296-W299 HydrophobicContact CD2-CE3 3.97Å; F296-W299 HydrophobicContact CD2-CZ3 4.18Å; F296-W299 AromaticContact CE2-CE3 3.98Å; F296-W299 HydrophobicContact CE2-CE3 3.98Å; F296-W299 AromaticContact CE2-CZ3 3.74Å; F296-W299 HydrophobicContact CE2-CZ3 3.74Å; F296-W299 PolarHBondContact O-N 3.23Å; F296-F300 HydrophobicContact CE2-CB 4.35Å; F296-F300 HydrophobicContact CE2-CD2 4.33Å; F296-F300 HydrophobicContact CE2-CG 4.49Å; F296-F300 HydrophobicContact CZ-CB 4.29Å; F296-F300 HydrophobicContact CZ-CD2 4.1Å; F296-F300 HydrophobicContact CZ-CG 4.11Å; F296-F300 WeakPolarHBondContact O-CB 3.41Å; F296-F300 PolarHBondContact O-N 2.96Å
297	L	97.5	Very high	94.3	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-57.7	-47.2	178.6	176.6	67.3	0	0	0	112	V213 L217 A293 I294 F300 L301 I425 I525	V213-L297 HydrophobicContact CG1-CB 4.15Å; V213-L297 HydrophobicContact CG1-CD1 3.74Å; V213-L297 HydrophobicContact CG2-CB 4.18Å; L217-L297 HydrophobicContact CD1-CD1 4.23Å; L217-L297 HydrophobicContact CD2-CD1 4.11Å; L217-L297 HydrophobicContact CG-CD1 4.35Å; A293-L297 VanDerWaalsContact O-CB 3.27Å; A293-L297 WeakPolarHBondContact O-CB 3.36Å; A293-L297 PolarHBondContact O-N 2.85Å; I294-L297 HydrophobicContact CD1-CD2 4.17Å; I294-L297 PolarHBondContact O-N 2.89Å; L297-F300 PolarHBondContact O-N 3.44Å; L297-L301 HydrophobicContact CD1-CD1 3.84Å; L297-L301 HydrophobicContact CD1-CG 4Å; L297-L301 HydrophobicContact CG-CD1 4.16Å; L297-L301 WeakPolarHBondContact O-CG 3.39Å; L297-L301 PolarHBondContact O-N 2.89Å; L297-I425 HydrophobicContact CD2-CD1 4.39Å; L297-I425 HydrophobicContact CD2-CG2 4Å; L297-I525 HydrophobicContact CD2-CD1 4.17Å; L297-I525 HydrophobicContact CD2-CG2 3.89Å
298	A	97	Very high	94.4	Very high	17 Å²	17	28.7 Å²	28.7	14%	0.14	15%	0.152	C	C	.	.	H	α-helix	trans	-64.6	-45.2	-178.9	0	0	0	0	0	111.8	I294 F296 N302 Y364	I294-A298 VanDerWaalsContact O-CB 3.31Å; I294-A298 WeakPolarHBondContact O-CB 3.45Å; I294-A298 PolarHBondContact O-N 3.35Å; F296-A298 PolarHBondContact O-N 2.81Å; A298-N302 WeakPolarHBondContact O-CB 2.75Å; A298-N302 PolarHBondContact O-N 3.23Å; A298-N302 PolarHBondContact O-ND2 3.38Å; A298-Y364 HydrophobicContact CB-CE1 4.02Å
299	W	97.4	Very high	94.6	Very high	47 Å²	47	28.1 Å²	28.1	18%	0.178	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-47.1	173.6	168.8	82	0	0	0	111.2	L247 V277 C280 S281 F285 D295 F296 N302 A303	L247-W299 HydrophobicContact CD1-CH2 3.97Å; L247-W299 HydrophobicContact CD2-CH2 4.33Å; V277-W299 HydrophobicContact CB-CH2 4.4Å; V277-W299 HydrophobicContact CB-CZ3 4.43Å; V277-W299 HydrophobicContact CG1-CH2 4.1Å; V277-W299 HydrophobicContact CG1-CZ3 3.86Å; V277-W299 HydrophobicContact CG2-CH2 4.41Å; V277-W299 HydrophobicContact CG2-CZ3 4.2Å; C280-W299 HydrophobicContact CB-CH2 4.19Å; C280-W299 HydrophobicContact CB-CZ2 3.99Å; S281-W299 VanDerWaalsContact CB-CZ2 3.47Å; F285-W299 AromaticContact CD2-CD2 3.79Å; F285-W299 HydrophobicContact CD2-CD2 3.79Å; F285-W299 AromaticContact CD2-CE3 3.64Å; F285-W299 HydrophobicContact CD2-CE3 3.64Å; F285-W299 HydrophobicContact CD2-CG 4.23Å; F285-W299 HydrophobicContact CD2-CZ3 4.12Å; F285-W299 HydrophobicContact CE2-CB 3.54Å; F285-W299 AromaticContact CE2-CD2 3.45Å; F285-W299 HydrophobicContact CE2-CD2 3.45Å; F285-W299 VanDerWaalsContact CE2-CD2 3.45Å; F285-W299 AromaticContact CE2-CE3 3.63Å; F285-W299 HydrophobicContact CE2-CE3 3.63Å; F285-W299 AromaticContact CE2-CG 3.4Å; F285-W299 HydrophobicContact CE2-CG 3.4Å; F285-W299 VanDerWaalsContact CE2-CG 3.4Å; F285-W299 HydrophobicContact CZ-CB 3.84Å; F285-W299 HydrophobicContact CZ-CG 4.21Å; D295-W299 WeakPolarHBondContact O-CB 3.28Å; D295-W299 PolarHBondContact O-N 3.32Å; F296-W299 AromaticContact CD2-CE3 3.97Å; F296-W299 HydrophobicContact CD2-CE3 3.97Å; F296-W299 HydrophobicContact CD2-CZ3 4.18Å; F296-W299 AromaticContact CE2-CE3 3.98Å; F296-W299 HydrophobicContact CE2-CE3 3.98Å; F296-W299 AromaticContact CE2-CZ3 3.74Å; F296-W299 HydrophobicContact CE2-CZ3 3.74Å; F296-W299 PolarHBondContact O-N 3.23Å; W299-N302 PolarHBondContact O-N 2.91Å; W299-A303 HydrophobicContact CD2-CB 4.44Å; W299-A303 HydrophobicContact CZ2-CB 4.15Å; W299-A303 VanDerWaalsContact O-CB 3.27Å; W299-A303 WeakPolarHBondContact O-CB 3.45Å; W299-A303 PolarHBondContact O-N 3.33Å
300	F	97.6	Very high	94.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.2	-45	-172.2	-172.3	-114.5	0	0	0	112.1	L214 L217 L247 F251 M273 F296 L297 N302 A303 L304	L214-F300 HydrophobicContact CD2-CE1 4.08Å; L214-F300 HydrophobicContact CD2-CZ 4.03Å; L217-F300 HydrophobicContact CD1-CD1 3.52Å; L217-F300 HydrophobicContact CD1-CE1 3.65Å; L247-F300 HydrophobicContact CD1-CD2 4.21Å; L247-F300 HydrophobicContact CD1-CE2 3.74Å; L247-F300 HydrophobicContact CD2-CD2 4.33Å; L247-F300 HydrophobicContact CD2-CE2 4.22Å; L247-F300 HydrophobicContact CG-CD2 4.49Å; L247-F300 HydrophobicContact CG-CE2 3.94Å; F251-F300 HydrophobicContact CB-CZ 4.26Å; F251-F300 HydrophobicContact CD1-CZ 4.44Å; F251-F300 AromaticContact CD2-CE1 3.98Å; F251-F300 HydrophobicContact CD2-CE1 3.98Å; F251-F300 AromaticContact CD2-CZ 3.61Å; F251-F300 HydrophobicContact CD2-CZ 3.61Å; F251-F300 AromaticContact CE2-CE1 3.87Å; F251-F300 HydrophobicContact CE2-CE1 3.87Å; F251-F300 HydrophobicContact CE2-CZ 4.01Å; F251-F300 HydrophobicContact CG-CE1 4.4Å; F251-F300 AromaticContact CG-CZ 3.85Å; F251-F300 HydrophobicContact CG-CZ 3.85Å; F251-F300 HydrophobicContact CZ-CE1 4.2Å; M273-F300 HydrophobicContact CE-CD2 4.4Å; M273-F300 HydrophobicContact CE-CE2 3.22Å; M273-F300 HydrophobicContact CE-CZ 3.36Å; F296-F300 HydrophobicContact CE2-CB 4.35Å; F296-F300 HydrophobicContact CE2-CD2 4.33Å; F296-F300 HydrophobicContact CE2-CG 4.49Å; F296-F300 HydrophobicContact CZ-CB 4.29Å; F296-F300 HydrophobicContact CZ-CD2 4.1Å; F296-F300 HydrophobicContact CZ-CG 4.11Å; F296-F300 WeakPolarHBondContact O-CB 3.41Å; F296-F300 PolarHBondContact O-N 2.96Å; L297-F300 PolarHBondContact O-N 3.44Å; F300-N302 PolarHBondContact O-N 3.24Å; F300-A303 PolarHBondContact O-N 2.93Å; F300-L304 HydrophobicContact CD1-CD1 3.95Å; F300-L304 HydrophobicContact CD1-CG 4.5Å; F300-L304 HydrophobicContact CE1-CD1 3.44Å; F300-L304 VanDerWaalsContact CE1-CD1 3.44Å; F300-L304 HydrophobicContact CE1-CG 4.17Å; F300-L304 HydrophobicContact CE2-CD1 4.34Å; F300-L304 HydrophobicContact CE2-CD2 4.44Å; F300-L304 HydrophobicContact CE2-CG 4.21Å; F300-L304 HydrophobicContact CZ-CD1 3.66Å; F300-L304 HydrophobicContact CZ-CD2 4.25Å; F300-L304 HydrophobicContact CZ-CG 4Å; F300-L304 WeakPolarHBondContact O-CB 3.27Å; F300-L304 WeakPolarHBondContact O-CG 2.94Å; F300-L304 PolarHBondContact O-N 2.92Å
301	L	97.1	Very high	94.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-40.5	175.9	-69.5	179.6	0	0	0	112.1	L217 L297 H305 I319 F323 I363 I425	L217-L301 HydrophobicContact CD1-CD2 4.06Å; L217-L301 HydrophobicContact CD2-CD2 3.9Å; L297-L301 HydrophobicContact CD1-CD1 3.84Å; L297-L301 HydrophobicContact CD1-CG 4Å; L297-L301 HydrophobicContact CG-CD1 4.16Å; L297-L301 WeakPolarHBondContact O-CG 3.39Å; L297-L301 PolarHBondContact O-N 2.89Å; L301-H305 VanDerWaalsContact O-CB 3.31Å; L301-H305 WeakPolarHBondContact O-CB 3.49Å; L301-H305 PolarHBondContact O-N 3.46Å; L301-I319 HydrophobicContact CB-CG2 4.13Å; L301-I319 HydrophobicContact CD2-CD1 4.21Å; L301-I319 HydrophobicContact CD2-CG2 4.17Å; L301-F323 HydrophobicContact CD1-CD2 4.49Å; L301-F323 HydrophobicContact CD2-CD2 4.23Å; L301-F323 HydrophobicContact CD2-CE2 3.98Å; L301-I363 HydrophobicContact CD1-CG2 3.56Å; L301-I425 HydrophobicContact CD1-CD1 3.79Å
302	N	95.4	Very high	94.3	Very high	51 Å²	51	33.9 Å²	33.9	27%	0.273	18%	0.178	S	C	.	.	H	α-helix	trans	-67.8	-43	176.3	-74.2	-31.1	0	0	0	111.8	A298 W299 F300 H305 L306	A298-N302 WeakPolarHBondContact O-CB 2.75Å; A298-N302 PolarHBondContact O-N 3.23Å; A298-N302 PolarHBondContact O-ND2 3.38Å; W299-N302 PolarHBondContact O-N 2.91Å; F300-N302 PolarHBondContact O-N 3.24Å; N302-H305 WeakPolarHBondContact O-CB 3.46Å; N302-H305 PolarHBondContact O-N 3.44Å; N302-L306 VanDerWaalsContact O-CG 3.28Å; N302-L306 WeakPolarHBondContact O-CG 3.45Å; N302-L306 PolarHBondContact O-N 2.88Å
303	A	96	Very high	94.1	Very high	8 Å²	8	34.7 Å²	34.7	7%	0.066	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-43	177.6	0	0	0	0	0	111.3	L247 W299 F300 L306 S307	L247-A303 HydrophobicContact CD2-CB 3.48Å; L247-A303 VanDerWaalsContact CD2-CB 3.48Å; W299-A303 HydrophobicContact CD2-CB 4.44Å; W299-A303 HydrophobicContact CZ2-CB 4.15Å; W299-A303 VanDerWaalsContact O-CB 3.27Å; W299-A303 WeakPolarHBondContact O-CB 3.45Å; W299-A303 PolarHBondContact O-N 3.33Å; F300-A303 PolarHBondContact O-N 2.93Å; A303-L306 PolarHBondContact O-N 3.27Å; A303-S307 WeakPolarHBondContact O-CB 3.46Å; A303-S307 PolarHBondContact O-N 3.44Å; A303-S307 PolarHBondContact O-OG 2.85Å; A303-S307 VanDerWaalsContact O-OG 3.1Å
304	L	95.9	Very high	93.5	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-47.6	172.3	-76.2	-178	0	0	0	111.5	F227 L247 F251 F300 L306 S307 L308 I319	F227-L304 HydrophobicContact CZ-CD2 4.3Å; L247-L304 HydrophobicContact CD2-CD2 4.23Å; L247-L304 HydrophobicContact CD2-CG 4.5Å; L247-L304 HydrophobicContact CG-CD2 4.19Å; F251-L304 HydrophobicContact CD1-CD1 4.03Å; F251-L304 HydrophobicContact CD1-CD2 4.45Å; F251-L304 HydrophobicContact CE1-CD1 4.07Å; F300-L304 HydrophobicContact CD1-CD1 3.95Å; F300-L304 HydrophobicContact CD1-CG 4.5Å; F300-L304 HydrophobicContact CE1-CD1 3.44Å; F300-L304 VanDerWaalsContact CE1-CD1 3.44Å; F300-L304 HydrophobicContact CE1-CG 4.17Å; F300-L304 HydrophobicContact CE2-CD1 4.34Å; F300-L304 HydrophobicContact CE2-CD2 4.44Å; F300-L304 HydrophobicContact CE2-CG 4.21Å; F300-L304 HydrophobicContact CZ-CD1 3.66Å; F300-L304 HydrophobicContact CZ-CD2 4.25Å; F300-L304 HydrophobicContact CZ-CG 4Å; F300-L304 WeakPolarHBondContact O-CB 3.27Å; F300-L304 WeakPolarHBondContact O-CG 2.94Å; F300-L304 PolarHBondContact O-N 2.92Å; L304-L306 VanDerWaalsContact C-N 3.34Å; L304-L306 PolarHBondContact O-N 2.75Å; L304-S307 WeakPolarHBondContact CA-OG 3.42Å; L304-S307 PolarHBondContact O-N 2.94Å; L304-S307 PolarHBondContact O-OG 2.83Å; L304-L308 WeakPolarHBondContact O-CB 3.31Å; L304-L308 VanDerWaalsContact O-CG 3.28Å; L304-L308 WeakPolarHBondContact O-CG 3.44Å; L304-L308 PolarHBondContact O-N 3.48Å; L304-I319 HydrophobicContact CB-CD1 4.07Å; L304-I319 HydrophobicContact CB-CG1 4.09Å; L304-I319 HydrophobicContact CD1-CD1 4.17Å
305	H	94.7	Very high	93.1	Very high	7 Å²	7	41.5 Å²	41.5	3%	0.032	22%	0.223	C	C	.	.	H	α-helix	trans	-54.1	-50.1	177.1	171.5	73.2	0	0	0	111.7	L301 N302 L308 G310 T311 S316 S317 I319 Y320	L301-H305 VanDerWaalsContact O-CB 3.31Å; L301-H305 WeakPolarHBondContact O-CB 3.49Å; L301-H305 PolarHBondContact O-N 3.46Å; N302-H305 WeakPolarHBondContact O-CB 3.46Å; N302-H305 PolarHBondContact O-N 3.44Å; H305-L308 PolarHBondContact O-N 2.98Å; H305-G310 VanDerWaalsContact CE1-C 3.44Å; H305-G310 WeakPolarHBondContact CE1-CA 3.16Å; H305-G310 VanDerWaalsContact O-CA 3.26Å; H305-G310 WeakPolarHBondContact O-CA 3.26Å; H305-G310 PolarHBondContact O-N 3Å; H305-T311 PolarHBondContact CE1-O 3Å; H305-T311 VanDerWaalsContact CE1-O 3.27Å; H305-T311 PolarHBondContact NE2-O 3.18Å; H305-S316 PolarHBondContact CE1-OG 3.41Å; H305-S317 PolarHBondContact ND1-OG 3.07Å; H305-I319 HydrophobicContact CB-CB 4.26Å; H305-I319 HydrophobicContact CB-CG1 4.37Å; H305-I319 HydrophobicContact CB-CG2 4.43Å; H305-Y320 HydrophobicContact CB-CE1 4.37Å; H305-Y320 AromaticContact CD2-CE1 3.99Å; H305-Y320 AromaticContact CD2-CZ 3.65Å; H305-Y320 AromaticContact CE1-CD1 3.97Å; H305-Y320 AromaticContact CE1-CD2 3.25Å; H305-Y320 WeakPolarHBondContact CE1-CD2 3.28Å; H305-Y320 AromaticContact CE1-CE1 3.85Å; H305-Y320 AromaticContact CE1-CE2 3.14Å; H305-Y320 WeakPolarHBondContact CE1-CE2 3.39Å; H305-Y320 AromaticContact CE1-CG 3.7Å; H305-Y320 AromaticContact CE1-CZ 3.45Å; H305-Y320 VanDerWaalsContact CE1-CZ 3.45Å; H305-Y320 AromaticContact CG-CE1 3.75Å; H305-Y320 AromaticContact CG-CZ 3.88Å; H305-Y320 AromaticContact ND1-CD1 3.66Å; H305-Y320 AromaticContact ND1-CD2 3.77Å; H305-Y320 AromaticContact ND1-CE1 3.67Å; H305-Y320 AromaticContact ND1-CE2 3.82Å; H305-Y320 AromaticContact ND1-CG 3.71Å; H305-Y320 AromaticContact ND1-CZ 3.77Å; H305-Y320 AromaticContact NE2-CD2 3.93Å; H305-Y320 AromaticContact NE2-CE2 3.31Å; H305-Y320 VanDerWaalsContact NE2-CE2 3.31Å; H305-Y320 WeakPolarHBondContact NE2-CE2 3.13Å; H305-Y320 AromaticContact NE2-CZ 3.38Å
306	L	93.1	Very high	92.9	Very high	62 Å²	62	38.5 Å²	38.5	33%	0.325	21%	0.21	S	C	.	.	H	α-helix	trans	-67.7	-40.7	-179.3	-67.7	169.5	0	0	0	112.7	I32 R238 N302 A303 L304 L308 N309	I32-L306 HydrophobicContact CD1-CD1 3.9Å; I32-L306 HydrophobicContact CG2-CD1 3.75Å; I32-L306 HydrophobicContact CG2-CD2 4.4Å; R238-L306 PolarHBondContact NH1-O 3.24Å; N302-L306 VanDerWaalsContact O-CG 3.28Å; N302-L306 WeakPolarHBondContact O-CG 3.45Å; N302-L306 PolarHBondContact O-N 2.88Å; A303-L306 PolarHBondContact O-N 3.27Å; L304-L306 VanDerWaalsContact C-N 3.34Å; L304-L306 PolarHBondContact O-N 2.75Å; L306-L308 VanDerWaalsContact C-N 3.28Å; L306-L308 PolarHBondContact O-N 2.93Å; L306-N309 PolarHBondContact O-N 2.9Å
307	S	92.7	Very high	92.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.6	-28.4	-179.8	71.9	0	0	0	0	112.8	R238 Y248 A303 L304 N309	R238-S307 WeakPolarHBondContact CD-O 3.46Å; Y248-S307 WeakPolarHBondContact CD1-OG 3.41Å; A303-S307 WeakPolarHBondContact O-CB 3.46Å; A303-S307 PolarHBondContact O-N 3.44Å; A303-S307 PolarHBondContact O-OG 2.85Å; A303-S307 VanDerWaalsContact O-OG 3.1Å; L304-S307 WeakPolarHBondContact CA-OG 3.42Å; L304-S307 PolarHBondContact O-N 2.94Å; L304-S307 PolarHBondContact O-OG 2.83Å; S307-N309 PolarHBondContact O-N 2.78Å
308	L	93	Very high	92.6	Very high	11 Å²	11	39.1 Å²	39.1	6%	0.058	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	19.2	175.4	-64.7	173.4	0	0	0	113.1	Y226 F227 I236 Y248 L304 H305 L306 G310 I318	Y226-L308 HydrophobicContact CE1-CD1 4.15Å; Y226-L308 HydrophobicContact CE1-CD2 4.2Å; F227-L308 HydrophobicContact CZ-CD1 4.15Å; I236-L308 HydrophobicContact CD1-CB 4.4Å; I236-L308 HydrophobicContact CD1-CD2 3.64Å; Y248-L308 HydrophobicContact CD1-CD2 4.27Å; Y248-L308 HydrophobicContact CD2-CD2 4.37Å; Y248-L308 HydrophobicContact CG-CD2 4.01Å; L304-L308 WeakPolarHBondContact O-CB 3.31Å; L304-L308 VanDerWaalsContact O-CG 3.28Å; L304-L308 WeakPolarHBondContact O-CG 3.44Å; L304-L308 PolarHBondContact O-N 3.48Å; H305-L308 PolarHBondContact O-N 2.98Å; L306-L308 VanDerWaalsContact C-N 3.28Å; L306-L308 PolarHBondContact O-N 2.93Å; L308-G310 PolarHBondContact O-N 3.02Å; L308-I318 HydrophobicContact CD1-CG2 3.83Å
309	N	91.4	Very high	92.5	Very high	79 Å²	79	38.3 Å²	38.3	42%	0.422	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	29.2	-176.3	-64.5	-12	0	0	0	113.8	I236 R237 R238 L306 S307	I236-N309 WeakPolarHBondContact CG2-ND2 3.48Å; R237-N309 PolarHBondContact O-ND2 2.95Å; R238-N309 WeakPolarHBondContact CD-OD1 3.26Å; R238-N309 PolarHBondContact NH1-OD1 2.77Å; L306-N309 PolarHBondContact O-N 2.9Å; S307-N309 PolarHBondContact O-N 2.78Å
310	G	87.9	Confident	92.4	Very high	14 Å²	14	37.9 Å²	37.9	14%	0.144	21%	0.206	C	C	.	.			trans	-61	141	175.4	0	0	0	0	0	112.2	H305 L308	H305-G310 VanDerWaalsContact CE1-C 3.44Å; H305-G310 WeakPolarHBondContact CE1-CA 3.16Å; H305-G310 VanDerWaalsContact O-CA 3.26Å; H305-G310 WeakPolarHBondContact O-CA 3.26Å; H305-G310 PolarHBondContact O-N 3Å; L308-G310 PolarHBondContact O-N 3.02Å
311	T	91.4	Very high	92.3	Very high	80 Å²	80	43.4 Å²	43.4	49%	0.491	23%	0.227	S	C	.	.			trans	-115.7	176.9	177.1	72.3	0	0	0	0	110.5	H305 A313 S316	H305-T311 PolarHBondContact CE1-O 3Å; H305-T311 VanDerWaalsContact CE1-O 3.27Å; H305-T311 PolarHBondContact NE2-O 3.18Å; T311-A313 PolarHBondContact O-N 3.34Å; T311-A313 PolarHBondContact OG1-N 3.3Å; T311-S316 PolarHBondContact N-OG 2.63Å; T311-S316 PolarHBondContact O-OG 3.33Å; T311-S316 WeakPolarHBondContact OG1-CB 3.38Å
312	K	87.8	Confident	92.3	Very high	188 Å²	188	43.6 Å²	43.6	82%	0.817	23%	0.227	S	C	*	.	S	Bend	trans	-62.3	-12.3	176.5	-65.2	-175.3	179.7	-179.6	0	114.2	R324	K312-R324 PolarHBondContact O-NH1 3.26Å; K312-R324 PolarHBondContact O-NH2 3.22Å
313	A	88.6	Confident	92.4	Very high	54 Å²	54	41.1 Å²	41.1	45%	0.446	21%	0.214	S	C	.	.	S	Bend	trans	-71	145.3	174.9	0	0	0	0	0	111.4	T311 E315 S316	T311-A313 PolarHBondContact O-N 3.34Å; T311-A313 PolarHBondContact OG1-N 3.3Å; A313-E315 VanDerWaalsContact C-N 3.33Å; A313-E315 PolarHBondContact O-N 2.69Å; A313-S316 VanDerWaalsContact O-CB 3.27Å; A313-S316 WeakPolarHBondContact O-CB 3.41Å; A313-S316 PolarHBondContact O-N 3.23Å; A313-S316 PolarHBondContact O-OG 2.93Å
314	T	81.8	Confident	92.4	Very high	26 Å²	26	42.2 Å²	42.2	16%	0.16	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-32.1	-175.3	-56.4	0	0	0	0	113.2	Y320 R321 R324	T314-Y320 CarbonylContact O-C 3.56Å; T314-Y320 VanDerWaalsContact O-C 3.28Å; T314-Y320 WeakPolarHBondContact O-CB 3.35Å; T314-R321 PolarHBondContact O-N 3.25Å; T314-R321 VanDerWaalsContact O-N 3.15Å; T314-R324 HydrophobicContact CG2-CB 4.36Å
315	E	86.5	Confident	92.3	Very high	126 Å²	126	42.2 Å²	42.2	59%	0.589	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	9.5	179.1	-61.8	-56.9	135.5	0	0	113.6	A313 S317 R321	A313-E315 VanDerWaalsContact C-N 3.33Å; A313-E315 PolarHBondContact O-N 2.69Å; E315-S317 VanDerWaalsContact C-N 3.28Å; E315-S317 PolarHBondContact O-N 3.27Å; E315-R321 WeakPolarHBondContact OE2-CD 3.39Å; E315-R321 VanDerWaalsContact OE2-CG 3.26Å; E315-R321 WeakPolarHBondContact OE2-CG 3.23Å
316	S	90.8	Very high	92.3	Very high	35 Å²	35	44.9 Å²	44.9	25%	0.245	23%	0.229	C	C	.	.	S	Bend	trans	-70.8	-23	-172.2	66.4	0	0	0	0	114.5	H305 T311 A313	H305-S316 PolarHBondContact CE1-OG 3.41Å; T311-S316 PolarHBondContact N-OG 2.63Å; T311-S316 PolarHBondContact O-OG 3.33Å; T311-S316 WeakPolarHBondContact OG1-CB 3.38Å; A313-S316 VanDerWaalsContact O-CB 3.27Å; A313-S316 WeakPolarHBondContact O-CB 3.41Å; A313-S316 PolarHBondContact O-N 3.23Å; A313-S316 PolarHBondContact O-OG 2.93Å
317	S	93.4	Very high	92.4	Very high	9 Å²	9	43.1 Å²	43.1	6%	0.063	22%	0.22	C	C	.	.	S	Bend	trans	-148.7	157.9	-177.1	65.3	0	0	0	0	109.6	H305 E315 I319 Y320 R321	H305-S317 PolarHBondContact ND1-OG 3.07Å; E315-S317 VanDerWaalsContact C-N 3.28Å; E315-S317 PolarHBondContact O-N 3.27Å; S317-I319 PolarHBondContact O-N 3.3Å; S317-Y320 PolarHBondContact O-N 3.23Å; S317-Y320 PolarHBondContact OG-N 2.88Å; S317-R321 WeakPolarHBondContact O-CB 3.31Å; S317-R321 PolarHBondContact O-N 3.08Å; S317-R321 VanDerWaalsContact O-N 3.09Å
318	I	94.8	Very high	92.5	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.036	23%	0.229	C	C	.	.	H	α-helix	trans	-55.7	-37.4	172.7	-176.4	62.3	0	0	0	111.5	P222 L223 Y226 L308 R321 T322	P222-I318 HydrophobicContact CB-CD1 4.03Å; P222-I318 WeakPolarHBondContact O-CD1 3.39Å; L223-I318 HydrophobicContact CD1-CG1 4.05Å; L223-I318 HydrophobicContact CD1-CG2 3.98Å; Y226-I318 HydrophobicContact CD1-CB 4.42Å; Y226-I318 HydrophobicContact CD1-CG2 3.89Å; Y226-I318 HydrophobicContact CD2-CB 4.24Å; Y226-I318 HydrophobicContact CD2-CG1 4.49Å; Y226-I318 HydrophobicContact CE1-CG2 4.09Å; Y226-I318 HydrophobicContact CG-CB 4.15Å; Y226-I318 HydrophobicContact CG-CG1 4.15Å; Y226-I318 HydrophobicContact CG-CG2 4.13Å; L308-I318 HydrophobicContact CD1-CG2 3.83Å; I318-R321 PolarHBondContact O-N 3.4Å; I318-T322 VanDerWaalsContact O-CB 3.25Å; I318-T322 WeakPolarHBondContact O-CB 3.13Å; I318-T322 PolarHBondContact O-N 2.95Å; I318-T322 PolarHBondContact O-OG1 3.07Å
319	I	95.7	Very high	92.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.3	-51.9	-178.3	-53.9	-57.5	0	0	0	111.5	L223 L301 L304 H305 S317 T322 F323	L223-I319 HydrophobicContact CD1-CD1 3.62Å; L301-I319 HydrophobicContact CB-CG2 4.13Å; L301-I319 HydrophobicContact CD2-CD1 4.21Å; L301-I319 HydrophobicContact CD2-CG2 4.17Å; L304-I319 HydrophobicContact CB-CD1 4.07Å; L304-I319 HydrophobicContact CB-CG1 4.09Å; L304-I319 HydrophobicContact CD1-CD1 4.17Å; H305-I319 HydrophobicContact CB-CB 4.26Å; H305-I319 HydrophobicContact CB-CG1 4.37Å; H305-I319 HydrophobicContact CB-CG2 4.43Å; S317-I319 PolarHBondContact O-N 3.3Å; I319-T322 PolarHBondContact O-N 3.09Å; I319-F323 HydrophobicContact CG2-CD2 4.26Å; I319-F323 PolarHBondContact O-N 3.48Å
320	Y	95.8	Very high	92.7	Very high	39 Å²	39	42.9 Å²	42.9	15%	0.153	21%	0.213	C	C	.	.	H	α-helix	trans	-70.2	-39.2	-178.7	-78	5.4	0	0	0	112.1	H305 T314 S317 T322 R324 I363	H305-Y320 HydrophobicContact CB-CE1 4.37Å; H305-Y320 AromaticContact CD2-CE1 3.99Å; H305-Y320 AromaticContact CD2-CZ 3.65Å; H305-Y320 AromaticContact CE1-CD1 3.97Å; H305-Y320 AromaticContact CE1-CD2 3.25Å; H305-Y320 WeakPolarHBondContact CE1-CD2 3.28Å; H305-Y320 AromaticContact CE1-CE1 3.85Å; H305-Y320 AromaticContact CE1-CE2 3.14Å; H305-Y320 WeakPolarHBondContact CE1-CE2 3.39Å; H305-Y320 AromaticContact CE1-CG 3.7Å; H305-Y320 AromaticContact CE1-CZ 3.45Å; H305-Y320 VanDerWaalsContact CE1-CZ 3.45Å; H305-Y320 AromaticContact CG-CE1 3.75Å; H305-Y320 AromaticContact CG-CZ 3.88Å; H305-Y320 AromaticContact ND1-CD1 3.66Å; H305-Y320 AromaticContact ND1-CD2 3.77Å; H305-Y320 AromaticContact ND1-CE1 3.67Å; H305-Y320 AromaticContact ND1-CE2 3.82Å; H305-Y320 AromaticContact ND1-CG 3.71Å; H305-Y320 AromaticContact ND1-CZ 3.77Å; H305-Y320 AromaticContact NE2-CD2 3.93Å; H305-Y320 AromaticContact NE2-CE2 3.31Å; H305-Y320 VanDerWaalsContact NE2-CE2 3.31Å; H305-Y320 WeakPolarHBondContact NE2-CE2 3.13Å; H305-Y320 AromaticContact NE2-CZ 3.38Å; T314-Y320 CarbonylContact O-C 3.56Å; T314-Y320 VanDerWaalsContact O-C 3.28Å; T314-Y320 WeakPolarHBondContact O-CB 3.35Å; S317-Y320 PolarHBondContact O-N 3.23Å; S317-Y320 PolarHBondContact OG-N 2.88Å; Y320-T322 PolarHBondContact O-N 3.48Å; Y320-R324 VanDerWaalsContact CE2-NH1 3.27Å; Y320-R324 HydrophobicContact CG-CB 4.44Å; Y320-R324 WeakPolarHBondContact O-CB 3.26Å; Y320-R324 PolarHBondContact O-N 3.43Å; Y320-I363 HydrophobicContact CE1-CD1 3.97Å
321	R	95.3	Very high	92.9	Very high	116 Å²	116	44.9 Å²	44.9	44%	0.438	22%	0.218	S	C	.	.	H	α-helix	trans	-59.2	-35	174.5	177.9	175.5	54.1	-178.7	-8.4	112.5	T314 E315 S317 I318	T314-R321 PolarHBondContact O-N 3.25Å; T314-R321 VanDerWaalsContact O-N 3.15Å; E315-R321 WeakPolarHBondContact OE2-CD 3.39Å; E315-R321 VanDerWaalsContact OE2-CG 3.26Å; E315-R321 WeakPolarHBondContact OE2-CG 3.23Å; S317-R321 WeakPolarHBondContact O-CB 3.31Å; S317-R321 PolarHBondContact O-N 3.08Å; S317-R321 VanDerWaalsContact O-N 3.09Å; I318-R321 PolarHBondContact O-N 3.4Å
322	T	96.7	Very high	92.8	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.018	21%	0.21	C	C	.	.	H	α-helix	trans	-85.5	-45.7	-175.8	-62.5	0	0	0	0	113.3	V220 I318 I319 Y320 P422 Y423	V220-T322 HydrophobicContact CG1-CG2 3.57Å; I318-T322 VanDerWaalsContact O-CB 3.25Å; I318-T322 WeakPolarHBondContact O-CB 3.13Å; I318-T322 PolarHBondContact O-N 2.95Å; I318-T322 PolarHBondContact O-OG1 3.07Å; I319-T322 PolarHBondContact O-N 3.09Å; Y320-T322 PolarHBondContact O-N 3.48Å; T322-P422 WeakPolarHBondContact O-CD 3.47Å; T322-Y423 HydrophobicContact CG2-CD2 3.64Å; T322-Y423 HydrophobicContact CG2-CG 4.01Å; T322-Y423 PolarHBondContact O-N 3.28Å
323	F	97.1	Very high	92.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-112.4	-11.5	-168.6	-59.3	-68.6	0	0	0	115.1	L217 V220 L223 L301 I319 G325 I363 P421 I425 I527	L217-F323 HydrophobicContact CD2-CE2 4.22Å; L217-F323 HydrophobicContact CD2-CZ 3.83Å; V220-F323 HydrophobicContact CB-CZ 4.3Å; V220-F323 HydrophobicContact CG1-CE1 4.21Å; V220-F323 HydrophobicContact CG1-CZ 3.91Å; V220-F323 HydrophobicContact CG2-CE1 4.09Å; V220-F323 HydrophobicContact CG2-CZ 3.96Å; L223-F323 HydrophobicContact CD2-CE2 4.14Å; L223-F323 HydrophobicContact CD2-CZ 4.32Å; L301-F323 HydrophobicContact CD1-CD2 4.49Å; L301-F323 HydrophobicContact CD2-CD2 4.23Å; L301-F323 HydrophobicContact CD2-CE2 3.98Å; I319-F323 HydrophobicContact CG2-CD2 4.26Å; I319-F323 PolarHBondContact O-N 3.48Å; F323-G325 PolarHBondContact O-N 3.12Å; F323-I363 HydrophobicContact CB-CG2 4.01Å; F323-P421 WeakPolarHBondContact O-CB 3.25Å; F323-I425 HydrophobicContact CD1-CD1 3.65Å; F323-I425 HydrophobicContact CD1-CG1 3.76Å; F323-I425 HydrophobicContact CE1-CD1 3.87Å; F323-I425 HydrophobicContact CE1-CG1 4.05Å; F323-I425 HydrophobicContact CG-CD1 4.12Å; F323-I527 HydrophobicContact CE1-CG2 4.49Å
324	R	95.6	Very high	92.7	Very high	31 Å²	31	38.8 Å²	38.8	12%	0.117	17%	0.174	C	C	.	.			trans	-80.6	112.8	-172.5	-170.8	173.2	168.3	179.3	-6.8	111.8	K312 T314 Y320 P361 F362	K312-R324 PolarHBondContact O-NH1 3.26Å; K312-R324 PolarHBondContact O-NH2 3.22Å; T314-R324 HydrophobicContact CG2-CB 4.36Å; Y320-R324 VanDerWaalsContact CE2-NH1 3.27Å; Y320-R324 HydrophobicContact CG-CB 4.44Å; Y320-R324 WeakPolarHBondContact O-CB 3.26Å; Y320-R324 PolarHBondContact O-N 3.43Å; R324-P361 HydrophobicContact CG-CB 4.23Å; R324-F362 WeakPolarHBondContact CA-O 3.44Å
325	G	94.7	Very high	92.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	177.2	164	0	0	0	0	0	111.8	F323 P361 F362 K419	F323-G325 PolarHBondContact O-N 3.12Å; G325-P361 WeakPolarHBondContact O-CA 3.48Å; G325-F362 PolarHBondContact N-O 2.89Å; G325-F362 PolarHBondContact O-N 3.08Å; G325-K419 VanDerWaalsContact CA-O 3.28Å; G325-K419 WeakPolarHBondContact CA-O 3.24Å
326	E	95	Very high	92.7	Very high	62 Å²	62	35.9 Å²	35.9	29%	0.29	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.3	174.1	-60.5	173.2	172.3	0	0	109.2	F362 T418 K419	E326-F362 VanDerWaalsContact C-CE1 3.49Å; E326-F362 WeakPolarHBondContact O-CE1 3.41Å; E326-T418 VanDerWaalsContact C-OG1 3.23Å; E326-T418 WeakPolarHBondContact CB-OG1 3.4Å; E326-T418 PolarHBondContact O-N 3.37Å; E326-T418 PolarHBondContact O-OG1 3.43Å; E326-T418 VanDerWaalsContact O-OG1 3.05Å; E326-K419 HydrophobicContact CB-CB 3.79Å; E326-K419 HydrophobicContact CG-CB 4.13Å; E326-K419 HydrophobicContact CG-CD 4.31Å; E326-K419 PolarHBondContact N-O 3.44Å; E326-K419 PolarHBondContact O-N 2.85Å
327	M	94.7	Very high	92.1	Very high	26 Å²	26	39.9 Å²	39.9	13%	0.128	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.3	175.4	69.3	175.4	113.8	0	0	110.1	V360 F362 L365 F415 E416	M327-V360 PolarHBondContact N-O 2.79Å; M327-V360 PolarHBondContact O-N 3.27Å; M327-F362 HydrophobicContact CB-CD1 3.96Å; M327-F362 HydrophobicContact CB-CE1 4.01Å; M327-F362 HydrophobicContact CE-CB 3.5Å; M327-F362 VanDerWaalsContact CE-CB 3.5Å; M327-F362 HydrophobicContact CE-CD1 3.66Å; M327-F362 HydrophobicContact CE-CG 3.82Å; M327-F362 HydrophobicContact CG-CD1 4.02Å; M327-F362 HydrophobicContact SD-CD1 4.5Å; M327-L365 HydrophobicContact CE-CD2 4.36Å; M327-F415 HydrophobicContact SD-CB 4.49Å; M327-F415 HydrophobicContact SD-CD1 3.74Å; M327-F415 HydrophobicContact SD-CE1 4.46Å; M327-F415 HydrophobicContact SD-CG 4.45Å; M327-E416 CarbonylContact C-O 3.5Å; M327-E416 VanDerWaalsContact CA-O 3.26Å; M327-E416 WeakPolarHBondContact CA-O 3.44Å; M327-E416 WeakPolarHBondContact CB-O 3.3Å
328	R	95.2	Very high	91.6	Very high	54 Å²	54	47 Å²	47	20%	0.204	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	124.3	168.3	-174.7	165.1	-70.6	162.8	2.3	109.1	Y330 I357 D359 F415 E416 T418	R328-Y330 HydrophobicContact CB-CE2 4.29Å; R328-Y330 VanDerWaalsContact CD-OH 3.27Å; R328-Y330 WeakPolarHBondContact CD-OH 3.28Å; R328-Y330 HydrophobicContact CG-CD2 4.27Å; R328-Y330 HydrophobicContact CG-CE1 4.4Å; R328-Y330 HydrophobicContact CG-CE2 3.73Å; R328-I357 HydrophobicContact CG-CG2 3.55Å; R328-D359 WeakPolarHBondContact CA-OD1 3.28Å; R328-D359 VanDerWaalsContact CB-OD1 3.27Å; R328-D359 WeakPolarHBondContact CB-OD1 3.46Å; R328-D359 VanDerWaalsContact CG-OD1 3.31Å; R328-D359 WeakPolarHBondContact CG-OD1 3.47Å; R328-D359 IonicContact CZ-OD1 2.74Å; R328-D359 IonicContact NE-OD1 2.63Å; R328-D359 PolarHBondContact NE-OD1 3.41Å; R328-D359 IonicContact NE-OD2 3.22Å; R328-D359 IonicContact NH2-OD1 3.91Å; R328-D359 IonicContact NH2-OD2 3.25Å; R328-D359 PolarHBondContact NH2-OD2 3.23Å; R328-F415 WeakPolarHBondContact O-CA 3.36Å; R328-E416 HydrophobicContact CB-CB 4.42Å; R328-E416 PolarHBondContact N-O 2.87Å; R328-E416 PolarHBondContact O-N 3.18Å; R328-T418 HydrophobicContact CB-CG2 3.83Å
329	T	94.2	Very high	91	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.043	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.3	174.2	-55	0	0	0	0	108.8	K331 E358 K413 F415	T329-K331 HydrophobicContact CG2-CD 4.48Å; T329-K331 HydrophobicContact CG2-CG 3.81Å; T329-E358 PolarHBondContact N-O 3.16Å; T329-E358 PolarHBondContact O-N 2.74Å; T329-K413 HydrophobicContact CG2-CD 4.48Å; T329-F415 HydrophobicContact CG2-CD1 3.92Å; T329-F415 HydrophobicContact CG2-CE1 3.62Å; T329-F415 HydrophobicContact CG2-CZ 4.43Å
330	Y	93.9	Very high	90.5	Very high	24 Å²	24	51.3 Å²	51.3	9%	0.094	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.1	169.5	-45.5	-111.1	0	0	0	108.3	R328 E355 R356 I357 K413 R414 E416	R328-Y330 HydrophobicContact CB-CE2 4.29Å; R328-Y330 VanDerWaalsContact CD-OH 3.27Å; R328-Y330 WeakPolarHBondContact CD-OH 3.28Å; R328-Y330 HydrophobicContact CG-CD2 4.27Å; R328-Y330 HydrophobicContact CG-CE1 4.4Å; R328-Y330 HydrophobicContact CG-CE2 3.73Å; Y330-E355 WeakPolarHBondContact CB-OE2 3.43Å; Y330-E355 HydrophobicContact CD1-CG 4.49Å; Y330-R356 CarbonylContact C-O 3.55Å; Y330-R356 WeakPolarHBondContact CA-O 3.21Å; Y330-I357 HydrophobicContact CD1-CD1 3.91Å; Y330-I357 HydrophobicContact CD1-CG1 3.68Å; Y330-I357 HydrophobicContact CD1-CG2 4.34Å; Y330-I357 HydrophobicContact CE1-CD1 3.78Å; Y330-I357 HydrophobicContact CE1-CG1 4.02Å; Y330-I357 HydrophobicContact CE1-CG2 4.24Å; Y330-K413 VanDerWaalsContact O-CA 3.26Å; Y330-K413 WeakPolarHBondContact O-CA 3.48Å; Y330-R414 VanDerWaalsContact CB-CG 3.47Å; Y330-R414 VanDerWaalsContact CD1-CZ 3.42Å; Y330-R414 HydrophobicContact CD2-CG 3.67Å; Y330-R414 HydrophobicContact CG-CG 3.78Å; Y330-R414 PolarHBondContact N-O 2.88Å; Y330-R414 PolarHBondContact O-N 2.93Å; Y330-E416 HydrophobicContact CE2-CB 4.08Å; Y330-E416 PolarHBondContact OH-OE2 3.38Å
331	K	91.6	Very high	89.9	Confident	56 Å²	56	57.4 Å²	57.4	24%	0.243	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.7	-175.8	-57.7	176.1	-173	161.3	0	109.6	T329 E355 R356 E358 I411 K413	T329-K331 HydrophobicContact CG2-CD 4.48Å; T329-K331 HydrophobicContact CG2-CG 3.81Å; K331-E355 CarbonylContact O-C 3.57Å; K331-E355 WeakPolarHBondContact O-CA 3.44Å; K331-R356 PolarHBondContact N-O 3.21Å; K331-R356 PolarHBondContact O-N 2.96Å; K331-E358 VanDerWaalsContact NZ-CD 3.3Å; K331-E358 IonicContact NZ-OE1 3.77Å; K331-E358 PolarHBondContact NZ-OE1 3.12Å; K331-E358 IonicContact NZ-OE2 3.75Å; K331-E358 PolarHBondContact NZ-OE2 3.33Å; K331-I411 HydrophobicContact CB-CG2 4.41Å; K331-K413 HydrophobicContact CG-CD 4.4Å; K331-K413 HydrophobicContact CG-CG 4.24Å
332	R	90	Very high	89.4	Confident	88 Å²	88	57.4 Å²	57.4	33%	0.332	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	135.5	175.8	178.9	177.8	64.9	-171.7	-8.7	110.2	Y353 E401 I411 M412	R332-Y353 WeakPolarHBondContact CG-O 3.21Å; R332-E401 IonicContact CZ-OE1 3.83Å; R332-E401 IonicContact NH2-OE1 3.97Å; R332-E401 PolarHBondContact NH2-OE1 2.81Å; R332-E401 IonicContact NH2-OE2 2.68Å; R332-E401 PolarHBondContact NH2-OE2 2.89Å; R332-I411 CarbonylContact O-C 3.59Å; R332-I411 WeakPolarHBondContact O-CA 3.33Å; R332-M412 PolarHBondContact N-O 3.34Å; R332-M412 PolarHBondContact O-N 3.46Å
333	R	88.2	Confident	88.9	Confident	63 Å²	63	61.1 Å²	61.1	24%	0.238	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	135.5	172.8	-167.3	173.5	179.7	168.2	3.6	110.1	E352 Y353 N408 E409	R333-E352 IonicContact CZ-OE1 3.76Å; R333-E352 IonicContact NH1-OE1 3.73Å; R333-E352 PolarHBondContact NH1-OE1 3.24Å; R333-Y353 HydrophobicContact CB-CD1 3.94Å; R333-Y353 HydrophobicContact CB-CE1 4.05Å; R333-Y353 HydrophobicContact CG-CD1 4.32Å; R333-Y353 HydrophobicContact CG-CE1 3.91Å; R333-Y353 WeakPolarHBondContact O-CD1 3.49Å; R333-N408 PolarHBondContact NH2-O 3.41Å; R333-E409 IonicContact NH1-OE1 2.68Å
334	V	86.2	Confident	88.3	Confident	42 Å²	42	65.5 Å²	65.5	26%	0.255	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-72.9	134.8	174.3	179.9	0	0	0	0	108.6	N410 M412	V334-N410 HydrophobicContact CB-CB 3.8Å; V334-N410 WeakPolarHBondContact CB-O 3.3Å; V334-N410 HydrophobicContact CG1-CB 4.49Å; V334-N410 HydrophobicContact CG2-CB 3.85Å; V334-N410 WeakPolarHBondContact CG2-O 3.49Å; V334-N410 PolarHBondContact N-O 3.24Å; V334-M412 HydrophobicContact CG2-CG 3.49Å; V334-M412 VanDerWaalsContact CG2-CG 3.49Å; V334-M412 HydrophobicContact CG2-SD 3.76Å
335	L	84.7	Confident	87.8	Confident	39 Å²	39	67.9 Å²	67.9	20%	0.204	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-63.4	144.3	174.8	-73.8	156.8	0	0	0	110.8	V337 R344 L347 L348 Y353	L335-V337 PolarHBondContact O-N 2.89Å; L335-R344 HydrophobicContact CD1-CB 4.48Å; L335-R344 HydrophobicContact CD1-CG 4.41Å; L335-R344 HydrophobicContact CD2-CG 4.49Å; L335-L347 HydrophobicContact CD2-CB 3.52Å; L335-L347 HydrophobicContact CD2-CD1 3.97Å; L335-L347 HydrophobicContact CD2-CG 4.42Å; L335-L348 HydrophobicContact CD1-CD1 4.17Å; L335-L348 HydrophobicContact CD1-CD2 3.89Å; L335-L348 HydrophobicContact CD1-CG 3.89Å; L335-L348 HydrophobicContact CD2-CG 4.3Å; L335-L348 HydrophobicContact CG-CD2 4.47Å; L335-Y353 HydrophobicContact CD2-CD1 3.92Å; L335-Y353 HydrophobicContact CD2-CE1 4.02Å; L335-Y353 HydrophobicContact CD2-CG 4.4Å; L335-Y353 HydrophobicContact CG-CD1 4.2Å; L335-Y353 HydrophobicContact CG-CE1 4.39Å
336	P	82.5	Confident	87.4	Confident	52 Å²	52	75.5 Å²	75.5	34%	0.338	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-53.8	138.5	171.7	-22.9	33.5	0	0	0	111.2	D338 A339 R344 L347	P336-D338 PolarHBondContact O-N 3.48Å; P336-A339 HydrophobicContact CB-CB 4.15Å; P336-A339 PolarHBondContact O-N 3.27Å; P336-R344 PolarHBondContact O-NH2 2.83Å; P336-L347 HydrophobicContact CG-CD1 4.14Å
337	V	79.8	Confident	86.9	Confident	119 Å²	119	74.1 Å²	74.1	72%	0.721	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-33.4	-180	-177.5	0	0	0	0	110.4	L335 R344	L335-V337 PolarHBondContact O-N 2.89Å; V337-R344 PolarHBondContact O-NH2 2.91Å
338	D	82.9	Confident	86.5	Confident	160 Å²	160	76.9 Å²	76.9	86%	0.856	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-3.7	-174.9	-51.2	-41.2	0	0	0	114.6	P336	P336-D338 PolarHBondContact O-N 3.48Å
339	A	80.5	Confident	85.9	Confident	9 Å²	9	81.1 Å²	81.1	7%	0.074	40%	0.401	C	S	.	.			trans	-71.8	135.1	-178.7	0	0	0	0	0	111.7	P336 E343 R344 L347	P336-A339 HydrophobicContact CB-CB 4.15Å; P336-A339 PolarHBondContact O-N 3.27Å; A339-E343 WeakPolarHBondContact CA-OE2 3.24Å; A339-E343 HydrophobicContact CB-CB 4.24Å; A339-E343 HydrophobicContact CB-CG 4.03Å; A339-R344 HydrophobicContact CB-CG 3.81Å; A339-L347 HydrophobicContact CB-CD1 4.38Å
340	D	85.6	Confident	85.5	Confident	88 Å²	88	83.9 Å²	83.9	47%	0.471	42%	0.417	S	S	.	.			trans	-66.8	165.9	173.7	71.8	33.2	0	0	0	111.7	D342 E343 R344	D340-D342 VanDerWaalsContact C-N 3.27Å; D340-D342 PolarHBondContact O-N 2.92Å; D340-D342 PolarHBondContact OD1-N 3.3Å; D340-D342 VanDerWaalsContact OD1-N 3.13Å; D340-E343 PolarHBondContact O-N 3.24Å; D340-E343 WeakPolarHBondContact OD1-CA 3.5Å; D340-E343 WeakPolarHBondContact OD1-CB 3.38Å; D340-E343 PolarHBondContact OD1-N 2.63Å; D340-R344 WeakPolarHBondContact O-CB 3.31Å; D340-R344 WeakPolarHBondContact O-CG 3.42Å; D340-R344 PolarHBondContact O-N 3.15Å
341	E	84.5	Confident	85.1	Confident	167 Å²	167	88.7 Å²	88.7	78%	0.78	44%	0.441	S	S	*	.	H	α-helix	trans	-61.4	-34.9	-176.9	-69.1	-168.4	157.8	0	0	112.8	T345	E341-T345 WeakPolarHBondContact O-CB 3.19Å; E341-T345 PolarHBondContact O-N 2.72Å; E341-T345 PolarHBondContact O-OG1 3.36Å
342	D	84.7	Confident	84.6	Confident	116 Å²	116	90.2 Å²	90.2	62%	0.62	45%	0.449	S	S	*	.	H	α-helix	trans	-71.6	-38.9	179.2	-72.3	-30.9	0	0	0	111.6	D340 R346	D340-D342 VanDerWaalsContact C-N 3.27Å; D340-D342 PolarHBondContact O-N 2.92Å; D340-D342 PolarHBondContact OD1-N 3.3Å; D340-D342 VanDerWaalsContact OD1-N 3.13Å; D342-R346 WeakPolarHBondContact O-CB 3.46Å; D342-R346 VanDerWaalsContact O-CG 3.24Å; D342-R346 WeakPolarHBondContact O-CG 3.26Å; D342-R346 PolarHBondContact O-N 2.9Å; D342-R346 PolarHBondContact O-NE 3.13Å
343	E	85	Confident	84.3	Confident	81 Å²	81	86.8 Å²	86.8	38%	0.379	44%	0.436	S	S	.	.	H	α-helix	trans	-67.8	-45.8	174.7	-175.1	176.6	-165.6	0	0	109.8	A339 D340 T345 R346 L347	A339-E343 WeakPolarHBondContact CA-OE2 3.24Å; A339-E343 HydrophobicContact CB-CB 4.24Å; A339-E343 HydrophobicContact CB-CG 4.03Å; D340-E343 PolarHBondContact O-N 3.24Å; D340-E343 WeakPolarHBondContact OD1-CA 3.5Å; D340-E343 WeakPolarHBondContact OD1-CB 3.38Å; D340-E343 PolarHBondContact OD1-N 2.63Å; E343-T345 VanDerWaalsContact C-N 3.3Å; E343-T345 PolarHBondContact O-N 3.02Å; E343-R346 CarbonylContact O-C 3.51Å; E343-R346 PolarHBondContact O-N 3.15Å; E343-R346 VanDerWaalsContact O-N 3.14Å; E343-L347 HydrophobicContact CG-CD1 3.95Å; E343-L347 HydrophobicContact CG-CG 4.18Å; E343-L347 WeakPolarHBondContact O-CB 3.36Å; E343-L347 VanDerWaalsContact O-CG 3.23Å; E343-L347 WeakPolarHBondContact O-CG 3.32Å; E343-L347 PolarHBondContact O-N 3.17Å
344	R	84.3	Confident	84.2	Confident	91 Å²	91	88.2 Å²	88.2	34%	0.343	44%	0.444	S	S	.	.	H	α-helix	trans	-56.6	-44.7	174.3	-77.8	-178.1	160.8	157.5	6.4	112.2	L335 P336 V337 A339 D340 L347 L348	L335-R344 HydrophobicContact CD1-CB 4.48Å; L335-R344 HydrophobicContact CD1-CG 4.41Å; L335-R344 HydrophobicContact CD2-CG 4.49Å; P336-R344 PolarHBondContact O-NH2 2.83Å; V337-R344 PolarHBondContact O-NH2 2.91Å; A339-R344 HydrophobicContact CB-CG 3.81Å; D340-R344 WeakPolarHBondContact O-CB 3.31Å; D340-R344 WeakPolarHBondContact O-CG 3.42Å; D340-R344 PolarHBondContact O-N 3.15Å; R344-L347 PolarHBondContact O-N 3.16Å; R344-L348 WeakPolarHBondContact O-CB 3.32Å; R344-L348 WeakPolarHBondContact O-CG 3.31Å; R344-L348 PolarHBondContact O-N 2.82Å
345	T	84.7	Confident	84.3	Confident	81 Å²	81	89.7 Å²	89.7	50%	0.497	45%	0.448	S	S	.	.	H	α-helix	trans	-64.3	-42.3	177.6	-55.3	0	0	0	0	111.3	E341 E343 M349	E341-T345 WeakPolarHBondContact O-CB 3.19Å; E341-T345 PolarHBondContact O-N 2.72Å; E341-T345 PolarHBondContact O-OG1 3.36Å; E343-T345 VanDerWaalsContact C-N 3.3Å; E343-T345 PolarHBondContact O-N 3.02Å; T345-M349 WeakPolarHBondContact O-CG 3.35Å; T345-M349 PolarHBondContact O-N 3.3Å
346	R	86.7	Confident	84.6	Confident	160 Å²	160	95 Å²	95	60%	0.604	47%	0.465	S	S	*	.	H	α-helix	trans	-63.7	-43.3	174.9	-76.6	177.6	-78.3	177.5	-1.6	112.4	D342 E343 M349 T350	D342-R346 WeakPolarHBondContact O-CB 3.46Å; D342-R346 VanDerWaalsContact O-CG 3.24Å; D342-R346 WeakPolarHBondContact O-CG 3.26Å; D342-R346 PolarHBondContact O-N 2.9Å; D342-R346 PolarHBondContact O-NE 3.13Å; E343-R346 CarbonylContact O-C 3.51Å; E343-R346 PolarHBondContact O-N 3.15Å; E343-R346 VanDerWaalsContact O-N 3.14Å; R346-M349 PolarHBondContact O-N 3.05Å; R346-T350 PolarHBondContact O-OG1 2.81Å
347	L	85.8	Confident	85.1	Confident	33 Å²	33	97.2 Å²	97.2	17%	0.173	47%	0.473	C	S	.	.	H	α-helix	trans	-65.1	-42.6	179.6	-70.7	175.2	0	0	0	111.3	L335 P336 A339 E343 R344 M349 T350 Y353	L335-L347 HydrophobicContact CD2-CB 3.52Å; L335-L347 HydrophobicContact CD2-CD1 3.97Å; L335-L347 HydrophobicContact CD2-CG 4.42Å; P336-L347 HydrophobicContact CG-CD1 4.14Å; A339-L347 HydrophobicContact CB-CD1 4.38Å; E343-L347 HydrophobicContact CG-CD1 3.95Å; E343-L347 HydrophobicContact CG-CG 4.18Å; E343-L347 WeakPolarHBondContact O-CB 3.36Å; E343-L347 VanDerWaalsContact O-CG 3.23Å; E343-L347 WeakPolarHBondContact O-CG 3.32Å; E343-L347 PolarHBondContact O-N 3.17Å; R344-L347 PolarHBondContact O-N 3.16Å; L347-M349 PolarHBondContact O-N 3.43Å; L347-T350 VanDerWaalsContact O-CB 3.26Å; L347-T350 WeakPolarHBondContact O-CB 3.26Å; L347-T350 PolarHBondContact O-N 3.46Å; L347-T350 PolarHBondContact O-OG1 3.28Å; L347-Y353 HydrophobicContact CB-CD2 3.93Å; L347-Y353 HydrophobicContact CB-CE2 3.89Å; L347-Y353 HydrophobicContact CB-CG 4.42Å; L347-Y353 HydrophobicContact CD1-CE2 4.49Å; L347-Y353 HydrophobicContact CD2-CD2 4.43Å; L347-Y353 HydrophobicContact CD2-CE2 3.73Å; L347-Y353 HydrophobicContact CG-CE2 4.23Å; L347-Y353 WeakPolarHBondContact O-CB 3.42Å; L347-Y353 WeakPolarHBondContact O-CD2 3.29Å
348	L	84.6	Confident	85.8	Confident	84 Å²	84	95.4 Å²	95.4	44%	0.44	46%	0.457	S	S	.	.	H	α-helix	trans	-59	-28.2	176	-77.9	171.1	0	0	0	113.8	L335 R344 T350	L335-L348 HydrophobicContact CD1-CD1 4.17Å; L335-L348 HydrophobicContact CD1-CD2 3.89Å; L335-L348 HydrophobicContact CD1-CG 3.89Å; L335-L348 HydrophobicContact CD2-CG 4.3Å; L335-L348 HydrophobicContact CG-CD2 4.47Å; R344-L348 WeakPolarHBondContact O-CB 3.32Å; R344-L348 WeakPolarHBondContact O-CG 3.31Å; R344-L348 PolarHBondContact O-N 2.82Å; L348-T350 VanDerWaalsContact C-N 3.31Å
349	M	83.2	Confident	86.3	Confident	144 Å²	144	92.3 Å²	92.3	71%	0.709	44%	0.44	S	S	*	.	H	α-helix	trans	-78.3	-17.2	176.2	-66.3	-65.8	-179.1	0	0	113	T345 R346 L347	T345-M349 WeakPolarHBondContact O-CG 3.35Å; T345-M349 PolarHBondContact O-N 3.3Å; R346-M349 PolarHBondContact O-N 3.05Å; L347-M349 PolarHBondContact O-N 3.43Å
350	T	86	Confident	86.9	Confident	64 Å²	64	94.3 Å²	94.3	39%	0.393	45%	0.451	S	S	.	.	S	Bend	trans	-76.9	140.1	-178.9	-53	0	0	0	0	110.2	R346 L347 L348 E352 Y353 K354	R346-T350 PolarHBondContact O-OG1 2.81Å; L347-T350 VanDerWaalsContact O-CB 3.26Å; L347-T350 WeakPolarHBondContact O-CB 3.26Å; L347-T350 PolarHBondContact O-N 3.46Å; L347-T350 PolarHBondContact O-OG1 3.28Å; L348-T350 VanDerWaalsContact C-N 3.31Å; T350-E352 HydrophobicContact CG2-CB 4.08Å; T350-E352 PolarHBondContact O-N 3.15Å; T350-Y353 PolarHBondContact O-N 3.08Å; T350-K354 PolarHBondContact O-N 3.22Å
351	E	84.8	Confident	87.3	Confident	126 Å²	126	93.1 Å²	93.1	59%	0.589	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-22.1	178.2	-71.2	-62.2	147.3	0	0	114.1	K354	E351-K354 IonicContact OE1-NZ 3.89Å; E351-K354 PolarHBondContact OE1-NZ 2.98Å; E351-K354 IonicContact OE2-NZ 3.04Å
352	E	82.3	Confident	87.9	Confident	87 Å²	87	85.7 Å²	85.7	41%	0.407	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-36.3	178.1	-177.5	167.3	-151.1	0	0	113.7	R333 T350	R333-E352 IonicContact CZ-OE1 3.76Å; R333-E352 IonicContact NH1-OE1 3.73Å; R333-E352 PolarHBondContact NH1-OE1 3.24Å; T350-E352 HydrophobicContact CG2-CB 4.08Å; T350-E352 PolarHBondContact O-N 3.15Å
353	Y	83.6	Confident	88.4	Confident	16 Å²	16	81.5 Å²	81.5	6%	0.063	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-1.6	-179.7	-65.9	-90.4	0	0	0	112.6	R332 R333 L335 L347 T350	R332-Y353 WeakPolarHBondContact CG-O 3.21Å; R333-Y353 HydrophobicContact CB-CD1 3.94Å; R333-Y353 HydrophobicContact CB-CE1 4.05Å; R333-Y353 HydrophobicContact CG-CD1 4.32Å; R333-Y353 HydrophobicContact CG-CE1 3.91Å; R333-Y353 WeakPolarHBondContact O-CD1 3.49Å; L335-Y353 HydrophobicContact CD2-CD1 3.92Å; L335-Y353 HydrophobicContact CD2-CE1 4.02Å; L335-Y353 HydrophobicContact CD2-CG 4.4Å; L335-Y353 HydrophobicContact CG-CD1 4.2Å; L335-Y353 HydrophobicContact CG-CE1 4.39Å; L347-Y353 HydrophobicContact CB-CD2 3.93Å; L347-Y353 HydrophobicContact CB-CE2 3.89Å; L347-Y353 HydrophobicContact CB-CG 4.42Å; L347-Y353 HydrophobicContact CD1-CE2 4.49Å; L347-Y353 HydrophobicContact CD2-CD2 4.43Å; L347-Y353 HydrophobicContact CD2-CE2 3.73Å; L347-Y353 HydrophobicContact CG-CE2 4.23Å; L347-Y353 WeakPolarHBondContact O-CB 3.42Å; L347-Y353 WeakPolarHBondContact O-CD2 3.29Å; T350-Y353 PolarHBondContact O-N 3.08Å
354	K	86.2	Confident	89	Confident	94 Å²	94	79.7 Å²	79.7	41%	0.409	38%	0.381	S	S	.	.	S	Bend	trans	-69.1	147.8	169.6	-69.5	-173	-171.8	173.7	0	110.6	T350 E351 R356	T350-K354 PolarHBondContact O-N 3.22Å; E351-K354 IonicContact OE1-NZ 3.89Å; E351-K354 PolarHBondContact OE1-NZ 2.98Å; E351-K354 IonicContact OE2-NZ 3.04Å; K354-R356 PolarHBondContact O-N 2.68Å
355	E	87.8	Confident	89.5	Confident	73 Å²	73	75.4 Å²	75.4	34%	0.341	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-74.5	126.6	179.6	-171.6	179.3	65.6	0	0	111.1	Y330 K331 R414	Y330-E355 WeakPolarHBondContact CB-OE2 3.43Å; Y330-E355 HydrophobicContact CD1-CG 4.49Å; K331-E355 CarbonylContact O-C 3.57Å; K331-E355 WeakPolarHBondContact O-CA 3.44Å; E355-R414 IonicContact OE1-CZ 2.68Å; E355-R414 IonicContact OE1-NE 3.1Å; E355-R414 IonicContact OE1-NH2 2.92Å; E355-R414 PolarHBondContact OE1-NH2 2.88Å; E355-R414 IonicContact OE2-CZ 3.06Å; E355-R414 VanDerWaalsContact OE2-CZ 3.22Å; E355-R414 IonicContact OE2-NE 3.91Å; E355-R414 PolarHBondContact OE2-NE 3.28Å; E355-R414 IonicContact OE2-NH2 3.61Å; E355-R414 PolarHBondContact OE2-NH2 2.88Å
356	R	91.2	Very high	90.1	Very high	150 Å²	150	73.4 Å²	73.4	57%	0.566	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	131	174.9	-62.3	-175.1	-176.3	179	2.6	110.1	Y330 K331 K354	Y330-R356 CarbonylContact C-O 3.55Å; Y330-R356 WeakPolarHBondContact CA-O 3.21Å; K331-R356 PolarHBondContact N-O 3.21Å; K331-R356 PolarHBondContact O-N 2.96Å; K354-R356 PolarHBondContact O-N 2.68Å
357	I	93.2	Very high	90.5	Very high	98 Å²	98	65.8 Å²	65.8	50%	0.503	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.4	-179.8	-51.8	-178.5	0	0	0	108.5	R328 Y330	R328-I357 HydrophobicContact CG-CG2 3.55Å; Y330-I357 HydrophobicContact CD1-CD1 3.91Å; Y330-I357 HydrophobicContact CD1-CG1 3.68Å; Y330-I357 HydrophobicContact CD1-CG2 4.34Å; Y330-I357 HydrophobicContact CE1-CD1 3.78Å; Y330-I357 HydrophobicContact CE1-CG1 4.02Å; Y330-I357 HydrophobicContact CE1-CG2 4.24Å
358	E	93.5	Very high	90.9	Very high	82 Å²	82	66.5 Å²	66.5	38%	0.383	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	130	177.5	-69.3	170	-153.4	0	0	109.8	T329 K331 V360	T329-E358 PolarHBondContact N-O 3.16Å; T329-E358 PolarHBondContact O-N 2.74Å; K331-E358 VanDerWaalsContact NZ-CD 3.3Å; K331-E358 IonicContact NZ-OE1 3.77Å; K331-E358 PolarHBondContact NZ-OE1 3.12Å; K331-E358 IonicContact NZ-OE2 3.75Å; K331-E358 PolarHBondContact NZ-OE2 3.33Å; E358-V360 HydrophobicContact CB-CG2 4.27Å
359	D	93.3	Very high	91.3	Very high	94 Å²	94	63.4 Å²	63.4	50%	0.503	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.1	171.6	-69	-22.6	0	0	0	109	R328	R328-D359 WeakPolarHBondContact CA-OD1 3.28Å; R328-D359 VanDerWaalsContact CB-OD1 3.27Å; R328-D359 WeakPolarHBondContact CB-OD1 3.46Å; R328-D359 VanDerWaalsContact CG-OD1 3.31Å; R328-D359 WeakPolarHBondContact CG-OD1 3.47Å; R328-D359 IonicContact CZ-OD1 2.74Å; R328-D359 IonicContact NE-OD1 2.63Å; R328-D359 PolarHBondContact NE-OD1 3.41Å; R328-D359 IonicContact NE-OD2 3.22Å; R328-D359 IonicContact NH2-OD1 3.91Å; R328-D359 IonicContact NH2-OD2 3.25Å; R328-D359 PolarHBondContact NH2-OD2 3.23Å
360	V	93.8	Very high	91.7	Very high	51 Å²	51	59.2 Å²	59.2	31%	0.309	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130.1	-171.1	-176.5	0	0	0	0	109.8	M327 E358	M327-V360 PolarHBondContact N-O 2.79Å; M327-V360 PolarHBondContact O-N 3.27Å; E358-V360 HydrophobicContact CB-CG2 4.27Å
361	P	95.2	Very high	91.7	Very high	64 Å²	64	61.8 Å²	61.8	42%	0.416	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	151	175	31.2	-35	0	0	0	111.6	R324 G325	R324-P361 HydrophobicContact CG-CB 4.23Å; G325-P361 WeakPolarHBondContact O-CA 3.48Å
362	F	95.4	Very high	91.4	Very high	11 Å²	11	57.7 Å²	57.7	5%	0.048	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	151.5	171.8	66.7	-95.5	0	0	0	111.6	R324 G325 E326 M327 L365 P421 L424	R324-F362 WeakPolarHBondContact CA-O 3.44Å; G325-F362 PolarHBondContact N-O 2.89Å; G325-F362 PolarHBondContact O-N 3.08Å; E326-F362 VanDerWaalsContact C-CE1 3.49Å; E326-F362 WeakPolarHBondContact O-CE1 3.41Å; M327-F362 HydrophobicContact CB-CD1 3.96Å; M327-F362 HydrophobicContact CB-CE1 4.01Å; M327-F362 HydrophobicContact CE-CB 3.5Å; M327-F362 VanDerWaalsContact CE-CB 3.5Å; M327-F362 HydrophobicContact CE-CD1 3.66Å; M327-F362 HydrophobicContact CE-CG 3.82Å; M327-F362 HydrophobicContact CG-CD1 4.02Å; M327-F362 HydrophobicContact SD-CD1 4.5Å; F362-L365 HydrophobicContact CD1-CD2 4.15Å; F362-L365 HydrophobicContact CD2-CD2 3.72Å; F362-L365 HydrophobicContact CD2-CG 4.12Å; F362-L365 HydrophobicContact CE1-CD2 4.06Å; F362-L365 HydrophobicContact CE2-CD1 4.45Å; F362-L365 HydrophobicContact CE2-CD2 3.65Å; F362-L365 HydrophobicContact CE2-CG 3.81Å; F362-L365 HydrophobicContact CG-CD2 3.98Å; F362-L365 HydrophobicContact CZ-CD2 3.82Å; F362-L365 HydrophobicContact CZ-CG 4.26Å; F362-P421 HydrophobicContact CE2-CG 4.36Å; F362-L424 HydrophobicContact CE2-CD1 3.83Å
363	I	95.9	Very high	91	Very high	27 Å²	27	57.5 Å²	57.5	14%	0.138	31%	0.307	C	S	.	.	S	Bend	trans	-100.6	-31.4	172	-62.1	177.8	0	0	0	110.3	L301 Y320 F323	L301-I363 HydrophobicContact CD1-CG2 3.56Å; Y320-I363 HydrophobicContact CE1-CD1 3.97Å; F323-I363 HydrophobicContact CB-CG2 4.01Å
364	Y	96.9	Very high	90.4	Very high	43 Å²	43	64.7 Å²	64.7	17%	0.169	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	150.9	178.7	58.7	-89.8	0	0	0	110.4	I294 A298 I425 F427	I294-Y364 HydrophobicContact CD1-CD2 4.32Å; I294-Y364 HydrophobicContact CD1-CE2 4.22Å; A298-Y364 HydrophobicContact CB-CE1 4.02Å; Y364-I425 CarbonylContact C-O 3.57Å; Y364-I425 VanDerWaalsContact CA-O 3.24Å; Y364-I425 WeakPolarHBondContact CA-O 3.33Å; Y364-F427 HydrophobicContact CD2-CB 4.05Å; Y364-F427 HydrophobicContact CE2-CD1 4.44Å
365	L	96.5	Very high	89.4	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.005	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.8	174.2	-65.6	-179.5	0	0	0	109.9	M327 F362 F396 I417 L424 I425 F427	M327-L365 HydrophobicContact CE-CD2 4.36Å; F362-L365 HydrophobicContact CD1-CD2 4.15Å; F362-L365 HydrophobicContact CD2-CD2 3.72Å; F362-L365 HydrophobicContact CD2-CG 4.12Å; F362-L365 HydrophobicContact CE1-CD2 4.06Å; F362-L365 HydrophobicContact CE2-CD1 4.45Å; F362-L365 HydrophobicContact CE2-CD2 3.65Å; F362-L365 HydrophobicContact CE2-CG 3.81Å; F362-L365 HydrophobicContact CG-CD2 3.98Å; F362-L365 HydrophobicContact CZ-CD2 3.82Å; F362-L365 HydrophobicContact CZ-CG 4.26Å; L365-F396 HydrophobicContact CB-CE2 4.03Å; L365-F396 HydrophobicContact CB-CZ 3.91Å; L365-F396 HydrophobicContact CD1-CD2 4.25Å; L365-F396 HydrophobicContact CD1-CE2 4.05Å; L365-F396 HydrophobicContact CD1-CZ 4.43Å; L365-F396 HydrophobicContact CD2-CD1 4.36Å; L365-F396 HydrophobicContact CD2-CE1 3.91Å; L365-F396 HydrophobicContact CD2-CE2 4.34Å; L365-F396 HydrophobicContact CD2-CZ 3.9Å; L365-F396 HydrophobicContact CG-CE2 4.37Å; L365-F396 HydrophobicContact CG-CZ 4.29Å; L365-I417 HydrophobicContact CD1-CD1 4.03Å; L365-L424 HydrophobicContact CD1-CD1 3.84Å; L365-L424 HydrophobicContact CD1-CD2 4.27Å; L365-L424 HydrophobicContact CG-CD1 3.97Å; L365-I425 PolarHBondContact N-O 3.05Å; L365-F427 PolarHBondContact O-N 2.9Å
366	T	96.3	Very high	88	Confident	40 Å²	40	74.2 Å²	74.2	25%	0.245	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.4	174.1	-55.1	0	0	0	0	110.4	K395 F427 K429	T366-K395 PolarHBondContact O-NZ 3.35Å; T366-F427 CarbonylContact C-O 3.59Å; T366-F427 WeakPolarHBondContact CA-O 3.31Å; T366-F427 HydrophobicContact CG2-CD1 3.71Å; T366-F427 HydrophobicContact CG2-CE1 4.02Å; T366-K429 HydrophobicContact CG2-CB 4.18Å
367	L	95.8	Very high	86.4	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.3	173.1	-56.5	-171.5	0	0	0	109.7	L389 L392 L393 F396 I426 F427 I428 K429	L367-L389 HydrophobicContact CD1-CD1 3.52Å; L367-L392 HydrophobicContact CB-CB 4.18Å; L367-L392 HydrophobicContact CB-CD1 4.29Å; L367-L392 HydrophobicContact CD1-CB 3.89Å; L367-L392 HydrophobicContact CD1-CD1 4.12Å; L367-L392 HydrophobicContact CD2-CB 4.3Å; L367-L392 HydrophobicContact CG-CB 4.36Å; L367-L393 HydrophobicContact CD2-CD2 4.09Å; L367-F396 HydrophobicContact CD2-CD2 4.46Å; L367-F396 HydrophobicContact CD2-CE2 3.53Å; L367-F396 HydrophobicContact CD2-CZ 4.28Å; L367-I426 HydrophobicContact CD1-CG2 3.28Å; L367-I426 HydrophobicContact CG-CG2 3.63Å; L367-F427 PolarHBondContact N-O 3.36Å; L367-I428 HydrophobicContact CB-CG1 4.39Å; L367-I428 HydrophobicContact CD1-CG1 4.31Å; L367-K429 PolarHBondContact O-N 3.11Å
368	D	93.2	Very high	84.7	Confident	47 Å²	47	72.9 Å²	72.9	25%	0.251	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	117.8	177.7	-56.8	-85.8	0	0	0	108.5	L392 K395 K402	D368-L392 WeakPolarHBondContact O-CD2 3.21Å; D368-K395 IonicContact OD2-NZ 2.94Å; D368-K395 PolarHBondContact OD2-NZ 3.38Å; D368-K402 IonicContact OD1-NZ 3.06Å; D368-K402 PolarHBondContact OD1-NZ 3.43Å; D368-K402 IonicContact OD2-NZ 3.97Å; D368-K402 PolarHBondContact OD2-NZ 3.4Å
369	L	93.4	Very high	82.9	Confident	19 Å²	19	78.1 Å²	78.1	10%	0.099	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-69.6	143.3	172.4	-68.9	171.2	0	0	0	109.9	L392 I428 R430 N441 T443 V445	L369-L392 HydrophobicContact CD2-CD1 3.91Å; L369-L392 HydrophobicContact CD2-CD2 4.29Å; L369-I428 HydrophobicContact CD1-CG2 3.63Å; L369-I428 HydrophobicContact CD2-CG2 3.83Å; L369-I428 HydrophobicContact CG-CG2 3.63Å; L369-R430 HydrophobicContact CD1-CG 3.91Å; L369-N441 WeakPolarHBondContact CB-ND2 3.5Å; L369-N441 HydrophobicContact CD1-CB 3.97Å; L369-T443 HydrophobicContact CD2-CG2 4.33Å; L369-V445 HydrophobicContact CD2-CG2 3.63Å
370	P	90.9	Very high	81.2	Confident	57 Å²	57	77.7 Å²	77.7	37%	0.37	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-60.8	149	168.6	27.5	-33	0	0	0	109.7	A372 V387 N441	P370-A372 PolarHBondContact O-N 2.92Å; P370-V387 HydrophobicContact CG-CG2 3.56Å; P370-N441 PolarHBondContact O-ND2 2.74Å
371	P	85.8	Confident	79.1	Confident	117 Å²	117	80.5 Å²	80.5	76%	0.76	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-57.6	139.4	177.4	25.4	-33.6	0	0	0	110
372	A	79.9	Confident	77.3	Confident	40 Å²	40	85 Å²	85	33%	0.331	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-60.4	136.4	175.2	0	0	0	0	0	109.1	P370 L374	P370-A372 PolarHBondContact O-N 2.92Å; A372-L374 PolarHBondContact O-N 2.9Å; A372-L374 VanDerWaalsContact O-N 3.14Å
373	P	74.1	Confident	76.1	Confident	84 Å²	84	89.5 Å²	89.5	55%	0.545	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-56	120.8	179.4	-23.8	32.3	0	0	0	111.1	Y375	P373-Y375 VanDerWaalsContact C-N 3.26Å; P373-Y375 PolarHBondContact O-N 2.98Å
374	L	69.4	Low	75.3	Confident	167 Å²	167	92.9 Å²	92.9	87%	0.874	48%	0.477	S	S	*	.	S	Bend	trans	-64.4	-33.2	-179.7	-69.3	171.6	0	0	0	112.1	A372	A372-L374 PolarHBondContact O-N 2.9Å; A372-L374 VanDerWaalsContact O-N 3.14Å
375	Y	65.6	Low	74.9	Confident	209 Å²	209	92.4 Å²	92.4	82%	0.82	48%	0.479	S	S	*	.			trans	-108.2	111	176.6	-61.4	-78.7	0	0	0	109.4	P373 G377	P373-Y375 VanDerWaalsContact C-N 3.26Å; P373-Y375 PolarHBondContact O-N 2.98Å; Y375-G377 PolarHBondContact O-N 3.14Å
376	R	58.9	Low	74.6	Confident	157 Å²	157	97.9 Å²	97.9	59%	0.592	51%	0.505	S	S	*	.			trans	-81	111.9	164.1	-56	-176.7	-166.8	175.6	4.4	106	L380 M381	R376-L380 HydrophobicContact CB-CB 4.33Å; R376-M381 HydrophobicContact CB-CG 4.29Å; R376-M381 PolarHBondContact NH1-O 3.31Å
377	G	57.6	Low	74.4	Confident	37 Å²	37	97 Å²	97	38%	0.381	50%	0.499	S	S	.	.			trans	-53.2	159.1	168.5	0	0	0	0	0	110.7	Y375 F379 L380 M381	Y375-G377 PolarHBondContact O-N 3.14Å; G377-F379 PolarHBondContact O-N 3.33Å; G377-L380 WeakPolarHBondContact O-CA 3.35Å; G377-L380 WeakPolarHBondContact O-CB 3.3Å; G377-L380 PolarHBondContact O-N 3.35Å; G377-M381 PolarHBondContact O-N 3.24Å
378	E	57.6	Low	74.4	Confident	184 Å²	184	100 Å²	100	86%	0.86	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-30.4	-176	-76	178.3	151.8	0	0	113.3
379	F	56.5	Low	74.5	Confident	192 Å²	192	98 Å²	98	84%	0.842	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-13.8	175.5	-66.2	-79.9	0	0	0	114.9	G377	G377-F379 PolarHBondContact O-N 3.33Å
380	L	55.6	Low	74.5	Confident	84 Å²	84	100.4 Å²	100.4	44%	0.44	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-1.2	-174.2	-74.3	160.7	0	0	0	113.4	R376 G377 N382 I383	R376-L380 HydrophobicContact CB-CB 4.33Å; G377-L380 WeakPolarHBondContact O-CA 3.35Å; G377-L380 WeakPolarHBondContact O-CB 3.3Å; G377-L380 PolarHBondContact O-N 3.35Å; L380-N382 PolarHBondContact O-N 2.71Å; L380-I383 HydrophobicContact CD2-CB 3.99Å; L380-I383 HydrophobicContact CD2-CD1 3.88Å; L380-I383 HydrophobicContact CD2-CG1 4.44Å; L380-I383 HydrophobicContact CD2-CG2 4.22Å; L380-I383 PolarHBondContact O-N 2.98Å
381	M	50.8	Low	74.6	Confident	111 Å²	111	100.3 Å²	100.3	55%	0.547	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.4	-174.6	-67	-151.5	79.6	0	0	113.5	R376 G377	R376-M381 HydrophobicContact CB-CG 4.29Å; R376-M381 PolarHBondContact NH1-O 3.31Å; G377-M381 PolarHBondContact O-N 3.24Å
382	N	56.2	Low	75	Confident	158 Å²	158	95.3 Å²	95.3	85%	0.845	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	2.6	-179.8	-65.6	-16.7	0	0	0	114.8	L380	L380-N382 PolarHBondContact O-N 2.71Å
383	I	70.5	Confident	75.7	Confident	105 Å²	105	93.5 Å²	93.5	54%	0.538	48%	0.482	S	S	.	.			trans	-94.6	115.4	-175.1	-64	174.7	0	0	0	109.3	L380	L380-I383 HydrophobicContact CD2-CB 3.99Å; L380-I383 HydrophobicContact CD2-CD1 3.88Å; L380-I383 HydrophobicContact CD2-CG1 4.44Å; L380-I383 HydrophobicContact CD2-CG2 4.22Å; L380-I383 PolarHBondContact O-N 2.98Å
384	I	79.7	Confident	76.6	Confident	98 Å²	98	90.7 Å²	90.7	50%	0.503	47%	0.466	S	S	.	.			trans	-67.6	126.9	172.9	-55.4	173.7	0	0	0	107.9	P442 I444	I384-P442 VanDerWaalsContact CG2-O 3.26Å; I384-P442 WeakPolarHBondContact CG2-O 3.49Å; I384-I444 HydrophobicContact CG2-CD1 4.41Å; I384-I444 HydrophobicContact CG2-CG1 3.67Å
385	P	88	Confident	77.7	Confident	33 Å²	33	84.2 Å²	84.2	21%	0.214	43%	0.431	C	S	.	.			trans	-62.2	145.4	-179.8	21.1	-27.7	0	0	0	110.9	T443 I444	P385-T443 HydrophobicContact CB-CG2 4.21Å; P385-T443 WeakPolarHBondContact CG-OG1 3.26Å; P385-T443 CarbonylContact O-C 3.46Å; P385-T443 VanDerWaalsContact O-CA 3.31Å; P385-T443 WeakPolarHBondContact O-CA 3.33Å; P385-I444 PolarHBondContact O-N 3.31Å
386	Q	90.1	Very high	79.1	Confident	116 Å²	116	74.4 Å²	74.4	54%	0.542	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.8	-179.7	-58.9	-169.6	-6.4	0	0	111.4	I444 N446	Q386-I444 CarbonylContact C-O 3.02Å; Q386-I444 VanDerWaalsContact CA-O 3.28Å; Q386-I444 WeakPolarHBondContact CA-O 3.21Å; Q386-I444 HydrophobicContact CG-CB 4.32Å; Q386-N446 PolarHBondContact OE1-ND2 3.04Å; Q386-N446 VanDerWaalsContact OE1-ND2 3.07Å
387	V	93.8	Very high	80.6	Confident	21 Å²	21	68.7 Å²	68.7	13%	0.127	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	132.7	178.5	176.7	0	0	0	0	110	P370 A391 L392 T443 I444 V445 N446	P370-V387 HydrophobicContact CG-CG2 3.56Å; V387-A391 HydrophobicContact CG1-CB 4.14Å; V387-L392 HydrophobicContact CG1-CD2 3.83Å; V387-L392 HydrophobicContact CG1-CG 3.96Å; V387-T443 HydrophobicContact CB-CG2 4.11Å; V387-T443 HydrophobicContact CG2-CG2 3.56Å; V387-I444 PolarHBondContact N-O 2.97Å; V387-V445 CarbonylContact O-C 3.56Å; V387-V445 VanDerWaalsContact O-CA 3.27Å; V387-V445 WeakPolarHBondContact O-CA 3.28Å; V387-N446 PolarHBondContact O-N 3.4Å
388	P	95	Very high	82.1	Confident	65 Å²	65	67.2 Å²	67.2	42%	0.422	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	143.6	174.1	28.8	-33.5	0	0	0	111.9	S390 A391 N446	P388-S390 PolarHBondContact O-N 2.71Å; P388-A391 HydrophobicContact CG-CB 3.91Å; P388-A391 WeakPolarHBondContact O-CB 3.29Å; P388-A391 PolarHBondContact O-N 3.44Å; P388-N446 CarbonylContact C-O 3.52Å; P388-N446 WeakPolarHBondContact CA-O 3.14Å
389	L	94.3	Very high	83.7	Confident	5 Å²	5	68.5 Å²	68.5	3%	0.026	36%	0.356	C	S	.	.	H	α-helix	trans	-57	-36.1	178.9	178	64	0	0	0	112.8	L367 A391 L392 L393 V445 N446 F447 V452 W528	L367-L389 HydrophobicContact CD1-CD1 3.52Å; L389-A391 VanDerWaalsContact C-N 3.27Å; L389-A391 PolarHBondContact O-N 3.36Å; L389-L392 WeakPolarHBondContact O-CB 3.19Å; L389-L392 PolarHBondContact O-N 3.24Å; L389-L392 VanDerWaalsContact O-N 3.09Å; L389-L393 HydrophobicContact CD1-CD1 4.3Å; L389-L393 HydrophobicContact CD1-CG 4.21Å; L389-L393 HydrophobicContact CD2-CD1 4.21Å; L389-L393 HydrophobicContact CG-CD1 3.8Å; L389-L393 HydrophobicContact CG-CG 4.18Å; L389-L393 WeakPolarHBondContact O-CG 3.38Å; L389-L393 PolarHBondContact O-N 2.76Å; L389-V445 HydrophobicContact CB-CG1 4.06Å; L389-V445 HydrophobicContact CD1-CG1 4.28Å; L389-N446 PolarHBondContact N-O 2.75Å; L389-F447 HydrophobicContact CB-CB 3.85Å; L389-F447 HydrophobicContact CD2-CB 3.7Å; L389-F447 HydrophobicContact CG-CB 4.34Å; L389-V452 HydrophobicContact CD2-CG1 4.41Å; L389-V452 HydrophobicContact CD2-CG2 4.26Å; L389-W528 HydrophobicContact CD2-CH2 4.31Å; L389-W528 HydrophobicContact CD2-CZ2 4Å
390	S	93.7	Very high	85.4	Confident	68 Å²	68	62.4 Å²	62.4	48%	0.476	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-36.6	176.7	53.4	0	0	0	0	112.8	P388 L392 L393 A394	P388-S390 PolarHBondContact O-N 2.71Å; S390-L392 VanDerWaalsContact C-N 3.33Å; S390-L392 PolarHBondContact O-N 2.89Å; S390-L393 PolarHBondContact O-N 2.9Å; S390-A394 PolarHBondContact O-N 3.2Å
391	A	94	Very high	87	Confident	56 Å²	56	62.1 Å²	62.1	46%	0.463	33%	0.331	S	S	.	.	H	α-helix	trans	-67.1	-34.7	176	0	0	0	0	0	112	V387 P388 L389 A394	V387-A391 HydrophobicContact CG1-CB 4.14Å; P388-A391 HydrophobicContact CG-CB 3.91Å; P388-A391 WeakPolarHBondContact O-CB 3.29Å; P388-A391 PolarHBondContact O-N 3.44Å; L389-A391 VanDerWaalsContact C-N 3.27Å; L389-A391 PolarHBondContact O-N 3.36Å; A391-A394 WeakPolarHBondContact O-CB 3.24Å
392	L	94.1	Very high	88.9	Confident	12 Å²	12	59.8 Å²	59.8	6%	0.063	32%	0.318	C	S	.	.	H	α-helix	trans	-73.6	-40.3	175.5	-58.5	-179.6	0	0	0	111.8	L367 D368 L369 V387 L389 S390 A394 K395 V445	L367-L392 HydrophobicContact CB-CB 4.18Å; L367-L392 HydrophobicContact CB-CD1 4.29Å; L367-L392 HydrophobicContact CD1-CB 3.89Å; L367-L392 HydrophobicContact CD1-CD1 4.12Å; L367-L392 HydrophobicContact CD2-CB 4.3Å; L367-L392 HydrophobicContact CG-CB 4.36Å; D368-L392 WeakPolarHBondContact O-CD2 3.21Å; L369-L392 HydrophobicContact CD2-CD1 3.91Å; L369-L392 HydrophobicContact CD2-CD2 4.29Å; V387-L392 HydrophobicContact CG1-CD2 3.83Å; V387-L392 HydrophobicContact CG1-CG 3.96Å; L389-L392 WeakPolarHBondContact O-CB 3.19Å; L389-L392 PolarHBondContact O-N 3.24Å; L389-L392 VanDerWaalsContact O-N 3.09Å; S390-L392 VanDerWaalsContact C-N 3.33Å; S390-L392 PolarHBondContact O-N 2.89Å; L392-A394 PolarHBondContact O-N 3.38Å; L392-K395 WeakPolarHBondContact O-CB 3.43Å; L392-K395 PolarHBondContact O-N 2.84Å; L392-V445 HydrophobicContact CD1-CB 4.49Å; L392-V445 HydrophobicContact CD1-CG1 3.78Å; L392-V445 HydrophobicContact CD1-CG2 3.81Å
393	L	94.2	Very high	90.4	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-69	-20.6	177.8	-72.7	172.6	0	0	0	113.1	L367 L389 S390 K395 F396 I426 V452 L454 Y457	L367-L393 HydrophobicContact CD2-CD2 4.09Å; L389-L393 HydrophobicContact CD1-CD1 4.3Å; L389-L393 HydrophobicContact CD1-CG 4.21Å; L389-L393 HydrophobicContact CD2-CD1 4.21Å; L389-L393 HydrophobicContact CG-CD1 3.8Å; L389-L393 HydrophobicContact CG-CG 4.18Å; L389-L393 WeakPolarHBondContact O-CG 3.38Å; L389-L393 PolarHBondContact O-N 2.76Å; S390-L393 PolarHBondContact O-N 2.9Å; L393-K395 PolarHBondContact O-N 2.99Å; L393-F396 HydrophobicContact CD2-CD2 4.26Å; L393-F396 HydrophobicContact CD2-CE2 4.47Å; L393-F396 PolarHBondContact O-N 2.95Å; L393-I426 HydrophobicContact CD2-CD1 4.41Å; L393-V452 HydrophobicContact CD1-CG1 4.45Å; L393-L454 HydrophobicContact CD1-CD2 3.73Å; L393-Y457 HydrophobicContact CB-CD1 4.34Å; L393-Y457 HydrophobicContact CB-CD2 4.36Å; L393-Y457 HydrophobicContact CB-CE1 3.77Å; L393-Y457 HydrophobicContact CB-CE2 3.83Å; L393-Y457 VanDerWaalsContact CB-CZ 3.49Å; L393-Y457 HydrophobicContact CD1-CE2 3.89Å; L393-Y457 HydrophobicContact CG-CE2 4.46Å; L393-Y457 WeakPolarHBondContact O-CD1 3.47Å
394	A	93.5	Very high	91.2	Very high	25 Å²	25	54.4 Å²	54.4	21%	0.207	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-52.4	-24.7	173.2	0	0	0	0	0	112.9	S390 A391 L392 F396 N397 T400	S390-A394 PolarHBondContact O-N 3.2Å; A391-A394 WeakPolarHBondContact O-CB 3.24Å; L392-A394 PolarHBondContact O-N 3.38Å; A394-F396 PolarHBondContact O-N 2.97Å; A394-N397 PolarHBondContact O-N 3.25Å; A394-N397 PolarHBondContact O-ND2 2.88Å; A394-N397 PolarHBondContact O-OD1 3.1Å; A394-T400 WeakPolarHBondContact O-CB 3.38Å; A394-T400 PolarHBondContact O-OG1 2.65Å
395	K	92.9	Very high	91.4	Very high	30 Å²	30	54.4 Å²	54.4	13%	0.13	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-50.6	-28.5	169.9	179.1	178.3	172.3	-178	0	114.3	T366 D368 L392 L393 F415	T366-K395 PolarHBondContact O-NZ 3.35Å; D368-K395 IonicContact OD2-NZ 2.94Å; D368-K395 PolarHBondContact OD2-NZ 3.38Å; L392-K395 WeakPolarHBondContact O-CB 3.43Å; L392-K395 PolarHBondContact O-N 2.84Å; L393-K395 PolarHBondContact O-N 2.99Å; K395-F415 HydrophobicContact CG-CD2 4.18Å
396	F	93.8	Very high	91.1	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.018	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-108.2	17.3	-174.1	-49.6	-72.9	0	0	0	114.2	L365 L367 L393 A394 F415 E416 I417	L365-F396 HydrophobicContact CB-CE2 4.03Å; L365-F396 HydrophobicContact CB-CZ 3.91Å; L365-F396 HydrophobicContact CD1-CD2 4.25Å; L365-F396 HydrophobicContact CD1-CE2 4.05Å; L365-F396 HydrophobicContact CD1-CZ 4.43Å; L365-F396 HydrophobicContact CD2-CD1 4.36Å; L365-F396 HydrophobicContact CD2-CE1 3.91Å; L365-F396 HydrophobicContact CD2-CE2 4.34Å; L365-F396 HydrophobicContact CD2-CZ 3.9Å; L365-F396 HydrophobicContact CG-CE2 4.37Å; L365-F396 HydrophobicContact CG-CZ 4.29Å; L367-F396 HydrophobicContact CD2-CD2 4.46Å; L367-F396 HydrophobicContact CD2-CE2 3.53Å; L367-F396 HydrophobicContact CD2-CZ 4.28Å; L393-F396 HydrophobicContact CD2-CD2 4.26Å; L393-F396 HydrophobicContact CD2-CE2 4.47Å; L393-F396 PolarHBondContact O-N 2.95Å; A394-F396 PolarHBondContact O-N 2.97Å; F396-F415 CarbonylContact C-O 3.56Å; F396-F415 VanDerWaalsContact CA-O 3.24Å; F396-F415 WeakPolarHBondContact CA-O 3.43Å; F396-F415 HydrophobicContact CD1-CB 3.74Å; F396-F415 HydrophobicContact CD1-CG 4.37Å; F396-F415 HydrophobicContact CE1-CB 4.45Å; F396-E416 WeakPolarHBondContact O-CA 3.33Å; F396-I417 HydrophobicContact CB-CD1 4.13Å; F396-I417 HydrophobicContact CB-CG1 3.97Å
397	N	91.2	Very high	90.4	Very high	36 Å²	36	58.3 Å²	58.3	19%	0.193	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-85.6	2.6	-177.8	66.3	9.9	0	0	0	115.1	A394 R399 T400 F415 Y457	A394-N397 PolarHBondContact O-N 3.25Å; A394-N397 PolarHBondContact O-ND2 2.88Å; A394-N397 PolarHBondContact O-OD1 3.1Å; N397-R399 PolarHBondContact O-N 3.07Å; N397-R399 WeakPolarHBondContact OD1-CA 3.46Å; N397-R399 WeakPolarHBondContact OD1-CB 3.45Å; N397-R399 PolarHBondContact OD1-N 3.48Å; N397-T400 PolarHBondContact ND2-OG1 3.24Å; N397-T400 PolarHBondContact OD1-N 2.91Å; N397-T400 PolarHBondContact OD1-OG1 3.02Å; N397-F415 PolarHBondContact N-O 3.07Å; N397-Y457 HydrophobicContact CB-CD1 4.02Å
398	G	89.1	Confident	89.6	Confident	7 Å²	7	63 Å²	63	7%	0.072	32%	0.316	C	S	.	.	S	Bend	trans	74.5	0.6	-175.4	0	0	0	0	0	115.7	R414 F415	G398-R414 PolarHBondContact O-NH1 3.43Å; G398-R414 VanDerWaalsContact O-NH1 3.11Å; G398-F415 VanDerWaalsContact CA-O 3.31Å; G398-F415 WeakPolarHBondContact CA-O 3.36Å; G398-F415 PolarHBondContact N-O 3.34Å
399	R	90.9	Very high	88.9	Confident	210 Å²	210	63.5 Å²	63.5	79%	0.792	31%	0.313	S	S	*	.	S	Bend	trans	-116.3	-42	-177	-58.1	179.3	-177.4	-178.3	0.1	113	N397 E401	N397-R399 PolarHBondContact O-N 3.07Å; N397-R399 WeakPolarHBondContact OD1-CA 3.46Å; N397-R399 WeakPolarHBondContact OD1-CB 3.45Å; N397-R399 PolarHBondContact OD1-N 3.48Å; R399-E401 PolarHBondContact O-N 3.35Å
400	T	91.5	Very high	88.5	Confident	64 Å²	64	66 Å²	66	39%	0.393	33%	0.327	S	S	.	.			trans	-72.9	111.3	-176.6	-59.9	0	0	0	0	109.6	A394 N397	A394-T400 WeakPolarHBondContact O-CB 3.38Å; A394-T400 PolarHBondContact O-OG1 2.65Å; N397-T400 PolarHBondContact ND2-OG1 3.24Å; N397-T400 PolarHBondContact OD1-N 2.91Å; N397-T400 PolarHBondContact OD1-OG1 3.02Å
401	E	90.7	Very high	88.3	Confident	78 Å²	78	64.3 Å²	64.3	36%	0.364	31%	0.312	S	S	.	.			trans	-84.8	139.4	173.4	-55.4	-172.6	179.5	0	0	110.3	R332 R399 M412 R414	R332-E401 IonicContact CZ-OE1 3.83Å; R332-E401 IonicContact NH2-OE1 3.97Å; R332-E401 PolarHBondContact NH2-OE1 2.81Å; R332-E401 IonicContact NH2-OE2 2.68Å; R332-E401 PolarHBondContact NH2-OE2 2.89Å; R399-E401 PolarHBondContact O-N 3.35Å; E401-M412 HydrophobicContact CB-CE 3.7Å; E401-M412 WeakPolarHBondContact OE2-CE 3.22Å; E401-R414 HydrophobicContact CG-CB 4.38Å
402	K	89.7	Confident	88.1	Confident	63 Å²	63	63.7 Å²	63.7	27%	0.274	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.4	173	-177.4	177	-179.4	-167.6	0	109.6	D368 Y404 K413	D368-K402 IonicContact OD1-NZ 3.06Å; D368-K402 PolarHBondContact OD1-NZ 3.43Å; D368-K402 IonicContact OD2-NZ 3.97Å; D368-K402 PolarHBondContact OD2-NZ 3.4Å; K402-Y404 HydrophobicContact CB-CE2 3.95Å; K402-Y404 HydrophobicContact CD-CE2 3.87Å; K402-Y404 HydrophobicContact CG-CD2 4.36Å; K402-Y404 HydrophobicContact CG-CE2 3.85Å; K402-Y404 WeakPolarHBondContact O-CD2 3.41Å; K402-K413 PolarHBondContact N-O 3.13Å; K402-K413 PolarHBondContact O-N 3.27Å
403	E	88.5	Confident	88.1	Confident	84 Å²	84	65.3 Å²	65.3	39%	0.393	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	131.1	172.9	-166.2	-176.6	-171.6	0	0	110.3	K405 M412	E403-K405 VanDerWaalsContact CD-CE 3.46Å; E403-K405 HydrophobicContact CG-CG 4.31Å; E403-K405 VanDerWaalsContact OE1-CE 3.23Å; E403-K405 WeakPolarHBondContact OE1-CE 3.32Å; E403-K405 WeakPolarHBondContact OE2-CE 3.43Å; E403-M412 HydrophobicContact CB-SD 3.7Å; E403-M412 HydrophobicContact CG-SD 3.93Å
404	Y	87.1	Confident	88.1	Confident	65 Å²	65	68 Å²	68	26%	0.255	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	111.9	170.4	-73	-96.9	0	0	0	107.8	K402 I411 K413 F415	K402-Y404 HydrophobicContact CB-CE2 3.95Å; K402-Y404 HydrophobicContact CD-CE2 3.87Å; K402-Y404 HydrophobicContact CG-CD2 4.36Å; K402-Y404 HydrophobicContact CG-CE2 3.85Å; K402-Y404 WeakPolarHBondContact O-CD2 3.41Å; Y404-I411 PolarHBondContact N-O 3.27Å; Y404-I411 PolarHBondContact O-N 2.78Å; Y404-K413 HydrophobicContact CD2-CB 3.89Å; Y404-K413 HydrophobicContact CD2-CD 3.73Å; Y404-K413 HydrophobicContact CD2-CG 3.75Å; Y404-K413 HydrophobicContact CE2-CB 3.79Å; Y404-K413 HydrophobicContact CE2-CD 3.88Å; Y404-K413 HydrophobicContact CE2-CG 4.07Å; Y404-K413 HydrophobicContact CG-CD 4.26Å; Y404-F415 HydrophobicContact CE2-CE2 4.08Å; Y404-F415 HydrophobicContact CE2-CZ 4.1Å
405	K	84	Confident	88.1	Confident	99 Å²	99	67.8 Å²	67.8	43%	0.43	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.9	173.3	-55.8	-167.8	177.7	-175.6	0	109.4	E403 N410	E403-K405 VanDerWaalsContact CD-CE 3.46Å; E403-K405 HydrophobicContact CG-CG 4.31Å; E403-K405 VanDerWaalsContact OE1-CE 3.23Å; E403-K405 WeakPolarHBondContact OE1-CE 3.32Å; E403-K405 WeakPolarHBondContact OE2-CE 3.43Å; K405-N410 WeakPolarHBondContact CG-OD1 3.29Å
406	T	80.9	Confident	88.2	Confident	53 Å²	53	67.5 Å²	67.5	33%	0.325	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	160.5	168.7	63.8	0	0	0	0	107.6	N408 E409	T406-N408 PolarHBondContact O-N 3.37Å; T406-E409 PolarHBondContact N-O 3Å; T406-E409 PolarHBondContact O-N 2.82Å; T406-E409 PolarHBondContact OG1-N 3.48Å; T406-E409 PolarHBondContact OG1-O 3.31Å
407	Y	76	Confident	88.2	Confident	177 Å²	177	67.3 Å²	67.3	69%	0.694	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.6	-35.4	-174.8	-176.9	-104.2	0	0	0	115.4	E15	E15-Y407 PolarHBondContact OE1-N 3.06Å; E15-Y407 VanDerWaalsContact OE1-N 3.12Å; E15-Y407 VanDerWaalsContact OE2-CA 3.27Å; E15-Y407 WeakPolarHBondContact OE2-CA 3.37Å; E15-Y407 WeakPolarHBondContact OE2-CB 3.32Å
408	N	76.1	Confident	88.3	Confident	120 Å²	120	66.8 Å²	66.8	64%	0.642	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-14.4	-177.6	-67.3	-26.9	0	0	0	114.4	R333 T406	R333-N408 PolarHBondContact NH2-O 3.41Å; T406-N408 PolarHBondContact O-N 3.37Å
409	E	79.9	Confident	88.5	Confident	75 Å²	75	69.8 Å²	69.8	35%	0.35	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	133.3	-164.7	-58.7	-177.5	179.9	0	0	112.1	R333 T406 I411	R333-E409 IonicContact NH1-OE1 2.68Å; T406-E409 PolarHBondContact N-O 3Å; T406-E409 PolarHBondContact O-N 2.82Å; T406-E409 PolarHBondContact OG1-N 3.48Å; T406-E409 PolarHBondContact OG1-O 3.31Å; E409-I411 HydrophobicContact CB-CD1 4.47Å; E409-I411 HydrophobicContact CB-CG1 4.2Å
410	N	86.4	Confident	88.7	Confident	59 Å²	59	60.3 Å²	60.3	32%	0.316	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.2	165.1	-64.7	-23.1	0	0	0	107.9	V334 K405	V334-N410 HydrophobicContact CB-CB 3.8Å; V334-N410 WeakPolarHBondContact CB-O 3.3Å; V334-N410 HydrophobicContact CG1-CB 4.49Å; V334-N410 HydrophobicContact CG2-CB 3.85Å; V334-N410 WeakPolarHBondContact CG2-O 3.49Å; V334-N410 PolarHBondContact N-O 3.24Å; K405-N410 WeakPolarHBondContact CG-OD1 3.29Å
411	I	89.8	Confident	88.9	Confident	31 Å²	31	57.3 Å²	57.3	16%	0.159	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.2	-175.6	-57.2	172.2	0	0	0	108.7	K331 R332 Y404 E409 K413	K331-I411 HydrophobicContact CB-CG2 4.41Å; R332-I411 CarbonylContact O-C 3.59Å; R332-I411 WeakPolarHBondContact O-CA 3.33Å; Y404-I411 PolarHBondContact N-O 3.27Å; Y404-I411 PolarHBondContact O-N 2.78Å; E409-I411 HydrophobicContact CB-CD1 4.47Å; E409-I411 HydrophobicContact CB-CG1 4.2Å; I411-K413 HydrophobicContact CG2-CG 3.95Å
412	M	90.5	Very high	89.1	Confident	43 Å²	43	55.8 Å²	55.8	21%	0.212	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.5	165.9	-60.1	-55.3	-84.8	0	0	109.3	R332 V334 E401 E403	R332-M412 PolarHBondContact N-O 3.34Å; R332-M412 PolarHBondContact O-N 3.46Å; V334-M412 HydrophobicContact CG2-CG 3.49Å; V334-M412 VanDerWaalsContact CG2-CG 3.49Å; V334-M412 HydrophobicContact CG2-SD 3.76Å; E401-M412 HydrophobicContact CB-CE 3.7Å; E401-M412 WeakPolarHBondContact OE2-CE 3.22Å; E403-M412 HydrophobicContact CB-SD 3.7Å; E403-M412 HydrophobicContact CG-SD 3.93Å
413	K	92.9	Very high	89.5	Confident	47 Å²	47	53.4 Å²	53.4	20%	0.204	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137	172.1	-58.5	-173.2	179.8	174.2	0	110.8	T329 Y330 K331 K402 Y404 I411 F415	T329-K413 HydrophobicContact CG2-CD 4.48Å; Y330-K413 VanDerWaalsContact O-CA 3.26Å; Y330-K413 WeakPolarHBondContact O-CA 3.48Å; K331-K413 HydrophobicContact CG-CD 4.4Å; K331-K413 HydrophobicContact CG-CG 4.24Å; K402-K413 PolarHBondContact N-O 3.13Å; K402-K413 PolarHBondContact O-N 3.27Å; Y404-K413 HydrophobicContact CD2-CB 3.89Å; Y404-K413 HydrophobicContact CD2-CD 3.73Å; Y404-K413 HydrophobicContact CD2-CG 3.75Å; Y404-K413 HydrophobicContact CE2-CB 3.79Å; Y404-K413 HydrophobicContact CE2-CD 3.88Å; Y404-K413 HydrophobicContact CE2-CG 4.07Å; Y404-K413 HydrophobicContact CG-CD 4.26Å; I411-K413 HydrophobicContact CG2-CG 3.95Å; K413-F415 HydrophobicContact CB-CE2 3.91Å; K413-F415 HydrophobicContact CB-CZ 3.76Å; K413-F415 HydrophobicContact CD-CZ 4.04Å
414	R	93.7	Very high	89.9	Confident	58 Å²	58	49.4 Å²	49.4	22%	0.219	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	148.8	165.9	56.1	179.7	-176.3	132.5	-6	109	Y330 E355 G398 E401	Y330-R414 VanDerWaalsContact CB-CG 3.47Å; Y330-R414 VanDerWaalsContact CD1-CZ 3.42Å; Y330-R414 HydrophobicContact CD2-CG 3.67Å; Y330-R414 HydrophobicContact CG-CG 3.78Å; Y330-R414 PolarHBondContact N-O 2.88Å; Y330-R414 PolarHBondContact O-N 2.93Å; E355-R414 IonicContact OE1-CZ 2.68Å; E355-R414 IonicContact OE1-NE 3.1Å; E355-R414 IonicContact OE1-NH2 2.92Å; E355-R414 PolarHBondContact OE1-NH2 2.88Å; E355-R414 IonicContact OE2-CZ 3.06Å; E355-R414 VanDerWaalsContact OE2-CZ 3.22Å; E355-R414 IonicContact OE2-NE 3.91Å; E355-R414 PolarHBondContact OE2-NE 3.28Å; E355-R414 IonicContact OE2-NH2 3.61Å; E355-R414 PolarHBondContact OE2-NH2 2.88Å; G398-R414 PolarHBondContact O-NH1 3.43Å; G398-R414 VanDerWaalsContact O-NH1 3.11Å; E401-R414 HydrophobicContact CG-CB 4.38Å
415	F	94.4	Very high	90.5	Very high	20 Å²	20	46.3 Å²	46.3	9%	0.088	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.2	-174.8	-54.1	-87.8	0	0	0	109.7	M327 R328 T329 K395 F396 N397 G398 Y404 K413	M327-F415 HydrophobicContact SD-CB 4.49Å; M327-F415 HydrophobicContact SD-CD1 3.74Å; M327-F415 HydrophobicContact SD-CE1 4.46Å; M327-F415 HydrophobicContact SD-CG 4.45Å; R328-F415 WeakPolarHBondContact O-CA 3.36Å; T329-F415 HydrophobicContact CG2-CD1 3.92Å; T329-F415 HydrophobicContact CG2-CE1 3.62Å; T329-F415 HydrophobicContact CG2-CZ 4.43Å; K395-F415 HydrophobicContact CG-CD2 4.18Å; F396-F415 CarbonylContact C-O 3.56Å; F396-F415 VanDerWaalsContact CA-O 3.24Å; F396-F415 WeakPolarHBondContact CA-O 3.43Å; F396-F415 HydrophobicContact CD1-CB 3.74Å; F396-F415 HydrophobicContact CD1-CG 4.37Å; F396-F415 HydrophobicContact CE1-CB 4.45Å; N397-F415 PolarHBondContact N-O 3.07Å; G398-F415 VanDerWaalsContact CA-O 3.31Å; G398-F415 WeakPolarHBondContact CA-O 3.36Å; G398-F415 PolarHBondContact N-O 3.34Å; Y404-F415 HydrophobicContact CE2-CE2 4.08Å; Y404-F415 HydrophobicContact CE2-CZ 4.1Å; K413-F415 HydrophobicContact CB-CE2 3.91Å; K413-F415 HydrophobicContact CB-CZ 3.76Å; K413-F415 HydrophobicContact CD-CZ 4.04Å
416	E	94	Very high	91.1	Very high	24 Å²	24	41.7 Å²	41.7	11%	0.112	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	133.8	178.5	-174.6	175.7	-148.4	0	0	108.8	M327 R328 Y330 F396 S459	M327-E416 CarbonylContact C-O 3.5Å; M327-E416 VanDerWaalsContact CA-O 3.26Å; M327-E416 WeakPolarHBondContact CA-O 3.44Å; M327-E416 WeakPolarHBondContact CB-O 3.3Å; R328-E416 HydrophobicContact CB-CB 4.42Å; R328-E416 PolarHBondContact N-O 2.87Å; R328-E416 PolarHBondContact O-N 3.18Å; Y330-E416 HydrophobicContact CE2-CB 4.08Å; Y330-E416 PolarHBondContact OH-OE2 3.38Å; F396-E416 WeakPolarHBondContact O-CA 3.33Å; E416-S459 VanDerWaalsContact OE1-CA 3.23Å; E416-S459 WeakPolarHBondContact OE1-CA 3.4Å
417	I	95.1	Very high	91.9	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	129.7	-177.8	-56.9	177.9	0	0	0	109.3	L365 F396 L420 Y457 L458 S459	L365-I417 HydrophobicContact CD1-CD1 4.03Å; F396-I417 HydrophobicContact CB-CD1 4.13Å; F396-I417 HydrophobicContact CB-CG1 3.97Å; I417-L420 HydrophobicContact CG2-CD2 3.92Å; I417-L420 HydrophobicContact CG2-CG 4.28Å; I417-Y457 PolarHBondContact N-O 3.42Å; I417-L458 HydrophobicContact CB-CD2 4.03Å; I417-L458 HydrophobicContact CG2-CD2 3.75Å; I417-L458 CarbonylContact O-C 3.56Å; I417-L458 VanDerWaalsContact O-CA 3.32Å; I417-L458 WeakPolarHBondContact O-CA 3.43Å; I417-S459 PolarHBondContact O-N 3.07Å
418	T	93.7	Very high	92.9	Very high	24 Å²	24	31.7 Å²	31.7	15%	0.147	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-34.9	177.4	54.6	0	0	0	0	111.8	E326 R328 A462	E326-T418 VanDerWaalsContact C-OG1 3.23Å; E326-T418 WeakPolarHBondContact CB-OG1 3.4Å; E326-T418 PolarHBondContact O-N 3.37Å; E326-T418 PolarHBondContact O-OG1 3.43Å; E326-T418 VanDerWaalsContact O-OG1 3.05Å; R328-T418 HydrophobicContact CB-CG2 3.83Å; T418-A462 VanDerWaalsContact O-CB 3.23Å; T418-A462 WeakPolarHBondContact O-CB 3.29Å
419	K	93.4	Very high	93.8	Very high	71 Å²	71	29.9 Å²	29.9	31%	0.309	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.9	177.2	-176.2	177.8	175.9	174.9	0	111.1	G325 E326	G325-K419 VanDerWaalsContact CA-O 3.28Å; G325-K419 WeakPolarHBondContact CA-O 3.24Å; E326-K419 HydrophobicContact CB-CB 3.79Å; E326-K419 HydrophobicContact CG-CB 4.13Å; E326-K419 HydrophobicContact CG-CD 4.31Å; E326-K419 PolarHBondContact N-O 3.44Å; E326-K419 PolarHBondContact O-N 2.85Å
420	L	94.6	Very high	94.5	Very high	11 Å²	11	26.3 Å²	26.3	6%	0.058	13%	0.125	C	C	.	.			trans	-89.3	131.5	175.4	-78.7	175.3	0	0	0	111	I417 L454 L458 L466 T469 Y471	I417-L420 HydrophobicContact CG2-CD2 3.92Å; I417-L420 HydrophobicContact CG2-CG 4.28Å; L420-L454 HydrophobicContact CD1-CB 4.43Å; L420-L454 HydrophobicContact CD2-CB 4.32Å; L420-L454 HydrophobicContact CD2-CD1 3.75Å; L420-L458 HydrophobicContact CD1-CD1 3.92Å; L420-L458 HydrophobicContact CD1-CD2 3.86Å; L420-L458 HydrophobicContact CD1-CG 4.21Å; L420-L458 HydrophobicContact CD2-CD2 4.36Å; L420-L458 HydrophobicContact CG-CD2 3.71Å; L420-L466 HydrophobicContact CD1-CD1 4.34Å; L420-T469 HydrophobicContact CD1-CG2 4.21Å; L420-Y471 WeakPolarHBondContact CB-OH 3.45Å; L420-Y471 HydrophobicContact CD1-CE2 4.13Å; L420-Y471 HydrophobicContact CD2-CE2 4.11Å
421	P	95.3	Very high	94.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.			trans	-77.8	149.5	173.3	31.4	-33.2	0	0	0	111.2	F323 F362 Y423 L424 Y471	F323-P421 WeakPolarHBondContact O-CB 3.25Å; F362-P421 HydrophobicContact CE2-CG 4.36Å; P421-Y423 WeakPolarHBondContact CB-O 3.32Å; P421-Y423 WeakPolarHBondContact CG-O 3.36Å; P421-Y423 PolarHBondContact O-N 2.85Å; P421-L424 HydrophobicContact CG-CB 4.07Å; P421-L424 HydrophobicContact CG-CD1 3.86Å; P421-Y471 PolarHBondContact O-OH 3.46Å
422	P	95.7	Very high	94.8	Very high	46 Å²	46	26.5 Å²	26.5	30%	0.299	13%	0.128	S	C	.	.	S	Bend	trans	-56.2	-33.1	172.6	-25.6	34.4	0	0	0	113.1	T322 L530	T322-P422 WeakPolarHBondContact O-CD 3.47Å; P422-L530 WeakPolarHBondContact O-CB 3.14Å; P422-L530 PolarHBondContact O-N 2.87Å
423	Y	97.6	Very high	94.6	Very high	13 Å²	13	29.7 Å²	29.7	5%	0.051	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116.9	171.6	-69	-100	0	0	0	109.7	V220 P221 P222 T322 P421 I474 R497 I527 W528 E529	V220-Y423 HydrophobicContact CB-CD1 4.39Å; V220-Y423 HydrophobicContact CG1-CD1 3.72Å; V220-Y423 HydrophobicContact CG1-CD2 4.04Å; V220-Y423 HydrophobicContact CG1-CE1 3.94Å; V220-Y423 HydrophobicContact CG1-CE2 4.31Å; V220-Y423 HydrophobicContact CG1-CG 3.78Å; V220-Y423 HydrophobicContact CG2-CD1 4.14Å; P221-Y423 VanDerWaalsContact CD-OH 3.24Å; P221-Y423 WeakPolarHBondContact CD-OH 3.39Å; P221-Y423 WeakPolarHBondContact CG-OH 3.42Å; P222-Y423 HydrophobicContact CG-CD2 4.3Å; P222-Y423 HydrophobicContact CG-CE2 3.56Å; T322-Y423 HydrophobicContact CG2-CD2 3.64Å; T322-Y423 HydrophobicContact CG2-CG 4.01Å; T322-Y423 PolarHBondContact O-N 3.28Å; P421-Y423 WeakPolarHBondContact CB-O 3.32Å; P421-Y423 WeakPolarHBondContact CG-O 3.36Å; P421-Y423 PolarHBondContact O-N 2.85Å; Y423-I474 HydrophobicContact CD1-CD1 3.85Å; Y423-I474 HydrophobicContact CE1-CD1 3.84Å; Y423-R497 PolarHBondContact OH-NH2 3.22Å; Y423-I527 HydrophobicContact CD1-CG2 4.32Å; Y423-W528 CarbonylContact C-O 3.54Å; Y423-W528 VanDerWaalsContact CA-O 3.23Å; Y423-W528 WeakPolarHBondContact CA-O 3.29Å; Y423-E529 HydrophobicContact CD1-CB 4.18Å; Y423-E529 HydrophobicContact CE1-CB 3.81Å; Y423-E529 HydrophobicContact CE1-CG 3.94Å; Y423-E529 PolarHBondContact OH-OE1 3.38Å
424	L	97.5	Very high	94.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.7	-178.8	177.9	65.6	0	0	0	110.3	F362 L365 P421 I426 L454 Y471 W528	F362-L424 HydrophobicContact CE2-CD1 3.83Å; L365-L424 HydrophobicContact CD1-CD1 3.84Å; L365-L424 HydrophobicContact CD1-CD2 4.27Å; L365-L424 HydrophobicContact CG-CD1 3.97Å; P421-L424 HydrophobicContact CG-CB 4.07Å; P421-L424 HydrophobicContact CG-CD1 3.86Å; L424-I426 HydrophobicContact CD2-CD1 4.15Å; L424-I426 HydrophobicContact CD2-CG1 4.11Å; L424-I426 HydrophobicContact CG-CG1 4.08Å; L424-L454 HydrophobicContact CD2-CD1 3.46Å; L424-L454 VanDerWaalsContact CD2-CD1 3.46Å; L424-Y471 HydrophobicContact CB-CD1 4.1Å; L424-Y471 HydrophobicContact CB-CE1 3.62Å; L424-W528 HydrophobicContact CB-CB 4.29Å; L424-W528 PolarHBondContact N-O 3.02Å; L424-W528 PolarHBondContact O-N 2.67Å
425	I	98.3	Very high	93.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.4	171.5	-56.4	179.1	0	0	0	108.8	L297 L301 F323 Y364 L365 I525 Q526 I527	L297-I425 HydrophobicContact CD2-CD1 4.39Å; L297-I425 HydrophobicContact CD2-CG2 4Å; L301-I425 HydrophobicContact CD1-CD1 3.79Å; F323-I425 HydrophobicContact CD1-CD1 3.65Å; F323-I425 HydrophobicContact CD1-CG1 3.76Å; F323-I425 HydrophobicContact CE1-CD1 3.87Å; F323-I425 HydrophobicContact CE1-CG1 4.05Å; F323-I425 HydrophobicContact CG-CD1 4.12Å; Y364-I425 CarbonylContact C-O 3.57Å; Y364-I425 VanDerWaalsContact CA-O 3.24Å; Y364-I425 WeakPolarHBondContact CA-O 3.33Å; L365-I425 PolarHBondContact N-O 3.05Å; I425-I525 HydrophobicContact CG2-CG2 3.94Å; I425-Q526 CarbonylContact C-O 3.5Å; I425-Q526 WeakPolarHBondContact CA-O 3.49Å; I425-I527 HydrophobicContact CG1-CG1 4.32Å
426	I	97.7	Very high	93.1	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.4	173.8	-62.1	-171.9	0	0	0	108.3	L367 L393 L424 I428 I525 Q526	L367-I426 HydrophobicContact CD1-CG2 3.28Å; L367-I426 HydrophobicContact CG-CG2 3.63Å; L393-I426 HydrophobicContact CD2-CD1 4.41Å; L424-I426 HydrophobicContact CD2-CD1 4.15Å; L424-I426 HydrophobicContact CD2-CG1 4.11Å; L424-I426 HydrophobicContact CG-CG1 4.08Å; I426-I428 HydrophobicContact CG2-CG1 4.36Å; I426-I525 CarbonylContact O-C 3.51Å; I426-I525 WeakPolarHBondContact O-CA 3.29Å; I426-Q526 HydrophobicContact CB-CB 4.33Å; I426-Q526 PolarHBondContact N-O 2.72Å; I426-Q526 PolarHBondContact O-N 2.73Å
427	F	97.8	Very high	92.7	Very high	20 Å²	20	43 Å²	43	9%	0.088	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.5	175.3	167.9	-126.6	0	0	0	109.6	I294 Y364 L365 T366 L367 K429 Y524 I525	I294-F427 HydrophobicContact CB-CD2 3.97Å; I294-F427 HydrophobicContact CB-CE2 3.73Å; I294-F427 HydrophobicContact CB-CG 4.48Å; I294-F427 HydrophobicContact CB-CZ 4.03Å; I294-F427 HydrophobicContact CD1-CB 3.84Å; I294-F427 HydrophobicContact CD1-CD1 4.13Å; I294-F427 HydrophobicContact CD1-CD2 3.77Å; I294-F427 HydrophobicContact CD1-CE2 4.38Å; I294-F427 HydrophobicContact CD1-CG 3.63Å; I294-F427 HydrophobicContact CG1-CB 4.45Å; I294-F427 HydrophobicContact CG1-CD1 3.82Å; I294-F427 HydrophobicContact CG1-CD2 3.7Å; I294-F427 HydrophobicContact CG1-CE1 3.94Å; I294-F427 HydrophobicContact CG1-CE2 3.81Å; I294-F427 HydrophobicContact CG1-CG 3.71Å; I294-F427 HydrophobicContact CG1-CZ 3.93Å; I294-F427 HydrophobicContact CG2-CE1 4.34Å; I294-F427 HydrophobicContact CG2-CE2 3.9Å; I294-F427 HydrophobicContact CG2-CZ 3.75Å; Y364-F427 HydrophobicContact CD2-CB 4.05Å; Y364-F427 HydrophobicContact CE2-CD1 4.44Å; L365-F427 PolarHBondContact O-N 2.9Å; T366-F427 CarbonylContact C-O 3.59Å; T366-F427 WeakPolarHBondContact CA-O 3.31Å; T366-F427 HydrophobicContact CG2-CD1 3.71Å; T366-F427 HydrophobicContact CG2-CE1 4.02Å; L367-F427 PolarHBondContact N-O 3.36Å; F427-K429 HydrophobicContact CE1-CB 4.11Å; F427-K429 HydrophobicContact CE1-CG 4.39Å; F427-K429 HydrophobicContact CZ-CB 4.26Å; F427-K429 HydrophobicContact CZ-CG 4.44Å; F427-Y524 HydrophobicContact CD2-CE2 4.4Å; F427-Y524 HydrophobicContact CE2-CD2 4.15Å; F427-Y524 HydrophobicContact CE2-CE1 4.23Å; F427-Y524 AromaticContact CE2-CE2 3.47Å; F427-Y524 HydrophobicContact CE2-CE2 3.47Å; F427-Y524 VanDerWaalsContact CE2-CE2 3.47Å; F427-Y524 AromaticContact CE2-CZ 3.5Å; F427-Y524 VanDerWaalsContact CE2-CZ 3.5Å; F427-Y524 WeakPolarHBondContact CE2-OH 3.35Å; F427-Y524 HydrophobicContact CZ-CE2 4.23Å; F427-I525 HydrophobicContact CD2-CG1 4.04Å
428	I	97	Very high	92.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	110	177.9	-62.4	164.9	0	0	0	107.8	L367 L369 I426 R430 V445 C523 Y524	L367-I428 HydrophobicContact CB-CG1 4.39Å; L367-I428 HydrophobicContact CD1-CG1 4.31Å; L369-I428 HydrophobicContact CD1-CG2 3.63Å; L369-I428 HydrophobicContact CD2-CG2 3.83Å; L369-I428 HydrophobicContact CG-CG2 3.63Å; I426-I428 HydrophobicContact CG2-CG1 4.36Å; I428-R430 HydrophobicContact CG2-CG 4.27Å; I428-R430 PolarHBondContact O-N 2.97Å; I428-V445 HydrophobicContact CD1-CB 4.34Å; I428-V445 HydrophobicContact CD1-CG2 3.98Å; I428-V445 HydrophobicContact CG2-CG2 4.24Å; I428-C523 HydrophobicContact CD1-CB 4.1Å; I428-C523 WeakPolarHBondContact CD1-SG 3.19Å; I428-Y524 PolarHBondContact N-O 3.17Å
429	K	94.8	Very high	92.1	Very high	81 Å²	81	48.2 Å²	48.2	35%	0.352	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	96.4	-176.3	-172.6	-179.1	178.1	-175.4	0	110.3	T366 L367 F427	T366-K429 HydrophobicContact CG2-CB 4.18Å; L367-K429 PolarHBondContact O-N 3.11Å; F427-K429 HydrophobicContact CE1-CB 4.11Å; F427-K429 HydrophobicContact CE1-CG 4.39Å; F427-K429 HydrophobicContact CZ-CB 4.26Å; F427-K429 HydrophobicContact CZ-CG 4.44Å
430	R	93.9	Very high	92.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.212	C	C	.	.			trans	-90.8	-31.8	177.5	-66.9	-171.5	176.8	-76	-8.1	113.8	L369 I428 K440 N441 T443 E522 C523 Y524	L369-R430 HydrophobicContact CD1-CG 3.91Å; I428-R430 HydrophobicContact CG2-CG 4.27Å; I428-R430 PolarHBondContact O-N 2.97Å; R430-K440 HydrophobicContact CB-CG 4.4Å; R430-K440 CarbonylContact O-C 3.6Å; R430-K440 WeakPolarHBondContact O-CA 3.33Å; R430-N441 PolarHBondContact NH1-O 2.89Å; R430-N441 WeakPolarHBondContact O-CB 3.17Å; R430-N441 PolarHBondContact O-N 2.87Å; R430-T443 PolarHBondContact NH1-O 2.81Å; R430-T443 PolarHBondContact NH2-O 3.2Å; R430-T443 VanDerWaalsContact NH2-O 3.15Å; R430-E522 PolarHBondContact NE-O 3.35Å; R430-C523 VanDerWaalsContact CZ-O 3.22Å; R430-C523 PolarHBondContact NE-O 2.94Å; R430-C523 PolarHBondContact NH2-O 2.96Å; R430-Y524 HydrophobicContact CB-CD2 4.29Å; R430-Y524 HydrophobicContact CB-CE2 4.34Å; R430-Y524 HydrophobicContact CG-CD2 4.19Å
431	F	92.6	Very high	91.9	Very high	31 Å²	31	46.7 Å²	46.7	14%	0.136	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	124.2	-175.6	-55	-65.4	0	0	0	111.4	V438 E439 K440 H479 P483 Y524	F431-V438 HydrophobicContact CB-CG1 3.96Å; F431-V438 HydrophobicContact CD1-CG1 4.32Å; F431-E439 WeakPolarHBondContact CA-O 3.37Å; F431-K440 HydrophobicContact CD1-CB 4.04Å; F431-K440 HydrophobicContact CD1-CG 4.2Å; F431-K440 HydrophobicContact CE1-CB 3.9Å; F431-K440 HydrophobicContact CE1-CD 4.1Å; F431-K440 HydrophobicContact CE1-CG 3.76Å; F431-H479 HydrophobicContact CZ-CB 4.47Å; F431-H479 AromaticContact CZ-CD2 3.78Å; F431-H479 AromaticContact CZ-CE1 3.69Å; F431-H479 AromaticContact CZ-CG 3.72Å; F431-H479 AromaticContact CZ-ND1 3.67Å; F431-H479 AromaticContact CZ-NE2 3.71Å; F431-P483 HydrophobicContact CD1-CB 3.81Å; F431-P483 HydrophobicContact CE1-CB 3.88Å; F431-Y524 AromaticContact CD2-CE2 3.71Å; F431-Y524 HydrophobicContact CD2-CE2 3.71Å; F431-Y524 AromaticContact CD2-CZ 3.83Å; F431-Y524 WeakPolarHBondContact CD2-OH 3.33Å; F431-Y524 HydrophobicContact CE2-CD2 4.26Å; F431-Y524 HydrophobicContact CE2-CE1 4.37Å; F431-Y524 AromaticContact CE2-CE2 3.49Å; F431-Y524 HydrophobicContact CE2-CE2 3.49Å; F431-Y524 VanDerWaalsContact CE2-CE2 3.49Å; F431-Y524 AromaticContact CE2-CZ 3.57Å
432	T	89.5	Confident	91.7	Very high	63 Å²	63	48.7 Å²	48.7	39%	0.387	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	124.1	174.5	48.4	0	0	0	0	108.9	N434 E439	T432-N434 PolarHBondContact O-N 2.71Å; T432-E439 PolarHBondContact N-O 3.11Å; T432-E439 PolarHBondContact O-N 2.74Å
433	K	86.6	Confident	91.6	Very high	110 Å²	110	46.6 Å²	46.6	48%	0.478	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	117.3	174.8	-173.4	163.9	167.2	-164	0	109.3	I17 V438	I17-K433 HydrophobicContact CD1-CB 4.25Å; I17-K433 HydrophobicContact CD1-CD 3.36Å; I17-K433 HydrophobicContact CD1-CG 3.72Å; I17-K433 HydrophobicContact CG1-CD 3.74Å; I17-K433 HydrophobicContact CG2-CD 4.23Å; K433-V438 HydrophobicContact CB-CG2 4.2Å; K433-V438 HydrophobicContact CD-CG2 4.32Å; K433-V438 HydrophobicContact CG-CG2 4.2Å
434	N	84	Confident	91.4	Very high	29 Å²	29	46.5 Å²	46.5	16%	0.155	21%	0.213	C	C	.	.			trans	-82.8	-170.9	167.3	79.1	16.8	0	0	0	109	T432 W436 Y437 E439	T432-N434 PolarHBondContact O-N 2.71Å; N434-W436 PolarHBondContact O-N 3.29Å; N434-W436 WeakPolarHBondContact OD1-CA 3.47Å; N434-W436 PolarHBondContact OD1-N 2.82Å; N434-Y437 VanDerWaalsContact CG-O 3.31Å; N434-Y437 PolarHBondContact N-O 2.61Å; N434-Y437 WeakPolarHBondContact ND2-CE1 3.49Å; N434-Y437 VanDerWaalsContact ND2-CZ 3.27Å; N434-Y437 PolarHBondContact OD1-N 3.24Å; N434-Y437 PolarHBondContact OD1-O 2.88Å; N434-E439 VanDerWaalsContact ND2-CD 3.31Å; N434-E439 PolarHBondContact ND2-OE1 3.43Å
435	H	84	Confident	91.3	Very high	58 Å²	58	46.4 Å²	46.4	27%	0.269	21%	0.213	S	C	.	.	S	Bend	trans	-66	-21.7	-179.4	-69.4	-165.5	0	0	0	114.2	V10 D13	V10-H435 PolarHBondContact O-CE1 3.33Å; V10-H435 PolarHBondContact O-NE2 2.87Å; V10-H435 VanDerWaalsContact O-NE2 3.17Å; D13-H435 IonicContact OD2-ND1 2.59Å
436	W	83	Confident	91.1	Very high	208 Å²	208	49.2 Å²	49.2	79%	0.788	23%	0.228	S	C	*	.	S	Bend	trans	-114.4	-44	-171.1	-60.4	-79.6	0	0	0	114.1	N434	N434-W436 PolarHBondContact O-N 3.29Å; N434-W436 WeakPolarHBondContact OD1-CA 3.47Å; N434-W436 PolarHBondContact OD1-N 2.82Å
437	Y	84.2	Confident	91	Very high	135 Å²	135	49.5 Å²	49.5	53%	0.529	23%	0.229	S	C	.	.	S	Bend	trans	-149.2	170.7	-173.6	54.8	-89.5	0	0	0	111.4	N434 E439	N434-Y437 VanDerWaalsContact CG-O 3.31Å; N434-Y437 PolarHBondContact N-O 2.61Å; N434-Y437 WeakPolarHBondContact ND2-CE1 3.49Å; N434-Y437 VanDerWaalsContact ND2-CZ 3.27Å; N434-Y437 PolarHBondContact OD1-N 3.24Å; N434-Y437 PolarHBondContact OD1-O 2.88Å; Y437-E439 HydrophobicContact CD2-CG 3.74Å; Y437-E439 HydrophobicContact CE2-CG 3.27Å; Y437-E439 VanDerWaalsContact CE2-OE1 3.27Å; Y437-E439 WeakPolarHBondContact CE2-OE1 2.98Å; Y437-E439 VanDerWaalsContact CZ-OE1 3.3Å; Y437-E439 PolarHBondContact OH-OE1 3.23Å
438	V	88.9	Confident	90.7	Very high	58 Å²	58	52 Å²	52	35%	0.352	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	128	172.8	-178.5	0	0	0	0	108	F431 K433 P483	F431-V438 HydrophobicContact CB-CG1 3.96Å; F431-V438 HydrophobicContact CD1-CG1 4.32Å; K433-V438 HydrophobicContact CB-CG2 4.2Å; K433-V438 HydrophobicContact CD-CG2 4.32Å; K433-V438 HydrophobicContact CG-CG2 4.2Å; V438-P483 HydrophobicContact CB-CB 4.14Å; V438-P483 HydrophobicContact CG1-CB 3.86Å; V438-P483 WeakPolarHBondContact O-CG 3.22Å
439	E	88.7	Confident	90.5	Very high	76 Å²	76	53.1 Å²	53.1	36%	0.355	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.7	174.9	-76	174.6	177.2	0	0	109.8	F431 T432 N434 Y437	F431-E439 WeakPolarHBondContact CA-O 3.37Å; T432-E439 PolarHBondContact N-O 3.11Å; T432-E439 PolarHBondContact O-N 2.74Å; N434-E439 VanDerWaalsContact ND2-CD 3.31Å; N434-E439 PolarHBondContact ND2-OE1 3.43Å; Y437-E439 HydrophobicContact CD2-CG 3.74Å; Y437-E439 HydrophobicContact CE2-CG 3.27Å; Y437-E439 VanDerWaalsContact CE2-OE1 3.27Å; Y437-E439 WeakPolarHBondContact CE2-OE1 2.98Å; Y437-E439 VanDerWaalsContact CZ-OE1 3.3Å; Y437-E439 PolarHBondContact OH-OE1 3.23Å
440	K	91.9	Very high	90.4	Very high	32 Å²	32	56.7 Å²	56.7	14%	0.139	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.1	171.1	-177.4	-172.2	-178.9	-167.9	0	108.6	R430 F431 P442 H479 G481 P483 E522	R430-K440 HydrophobicContact CB-CG 4.4Å; R430-K440 CarbonylContact O-C 3.6Å; R430-K440 WeakPolarHBondContact O-CA 3.33Å; F431-K440 HydrophobicContact CD1-CB 4.04Å; F431-K440 HydrophobicContact CD1-CG 4.2Å; F431-K440 HydrophobicContact CE1-CB 3.9Å; F431-K440 HydrophobicContact CE1-CD 4.1Å; F431-K440 HydrophobicContact CE1-CG 3.76Å; K440-P442 VanDerWaalsContact O-CD 3.31Å; K440-P442 WeakPolarHBondContact O-CD 3.23Å; K440-H479 WeakPolarHBondContact CE-ND1 3.2Å; K440-H479 WeakPolarHBondContact CE-O 3.46Å; K440-H479 PolarHBondContact NZ-ND1 3.43Å; K440-H479 PolarHBondContact NZ-O 3.34Å; K440-G481 VanDerWaalsContact CD-O 3.23Å; K440-G481 WeakPolarHBondContact CD-O 3.41Å; K440-G481 PolarHBondContact NZ-O 3.47Å; K440-P483 HydrophobicContact CB-CB 4.26Å; K440-P483 HydrophobicContact CB-CG 4.02Å; K440-E522 WeakPolarHBondContact CE-OE2 3.46Å; K440-E522 IonicContact NZ-OE1 2.73Å; K440-E522 IonicContact NZ-OE2 2.94Å; K440-E522 PolarHBondContact NZ-OE2 3.22Å
441	N	91.8	Very high	90.3	Very high	17 Å²	17	57.4 Å²	57.4	9%	0.091	27%	0.268	C	S	.	.			trans	-79.6	114.7	172.9	-168.8	-32.6	0	0	0	110.1	L369 P370 R430 T443	L369-N441 WeakPolarHBondContact CB-ND2 3.5Å; L369-N441 HydrophobicContact CD1-CB 3.97Å; P370-N441 PolarHBondContact O-ND2 2.74Å; R430-N441 PolarHBondContact NH1-O 2.89Å; R430-N441 WeakPolarHBondContact O-CB 3.17Å; R430-N441 PolarHBondContact O-N 2.87Å; N441-T443 PolarHBondContact O-N 2.78Å; N441-T443 WeakPolarHBondContact OD1-CB 3.21Å; N441-T443 PolarHBondContact OD1-N 3.44Å; N441-T443 PolarHBondContact OD1-OG1 2.79Å
442	P	91	Very high	90.3	Very high	43 Å²	43	56.6 Å²	56.6	28%	0.279	27%	0.265	S	S	.	.			trans	-85.1	8.2	-175.6	36.7	-36.9	0	0	0	113.6	I384 K440 I444 E522	I384-P442 VanDerWaalsContact CG2-O 3.26Å; I384-P442 WeakPolarHBondContact CG2-O 3.49Å; K440-P442 VanDerWaalsContact O-CD 3.31Å; K440-P442 WeakPolarHBondContact O-CD 3.23Å; P442-I444 PolarHBondContact O-N 2.89Å; P442-E522 WeakPolarHBondContact CA-OE1 3.49Å; P442-E522 WeakPolarHBondContact CB-OE1 3.3Å
443	T	92.7	Very high	90.4	Very high	2 Å²	2	55 Å²	55	1%	0.012	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-62.6	124.4	-176.3	-58.5	0	0	0	0	111.5	L369 P385 V387 R430 N441	L369-T443 HydrophobicContact CD2-CG2 4.33Å; P385-T443 HydrophobicContact CB-CG2 4.21Å; P385-T443 WeakPolarHBondContact CG-OG1 3.26Å; P385-T443 CarbonylContact O-C 3.46Å; P385-T443 VanDerWaalsContact O-CA 3.31Å; P385-T443 WeakPolarHBondContact O-CA 3.33Å; V387-T443 HydrophobicContact CB-CG2 4.11Å; V387-T443 HydrophobicContact CG2-CG2 3.56Å; R430-T443 PolarHBondContact NH1-O 2.81Å; R430-T443 PolarHBondContact NH2-O 3.2Å; R430-T443 VanDerWaalsContact NH2-O 3.15Å; N441-T443 PolarHBondContact O-N 2.78Å; N441-T443 WeakPolarHBondContact OD1-CB 3.21Å; N441-T443 PolarHBondContact OD1-N 3.44Å; N441-T443 PolarHBondContact OD1-OG1 2.79Å
444	I	94	Very high	90.7	Very high	10 Å²	10	49.9 Å²	49.9	5%	0.051	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	134.2	174.6	-59.2	-58.4	0	0	0	109.1	I384 P385 Q386 V387 P442 T519 L520 E522	I384-I444 HydrophobicContact CG2-CD1 4.41Å; I384-I444 HydrophobicContact CG2-CG1 3.67Å; P385-I444 PolarHBondContact O-N 3.31Å; Q386-I444 CarbonylContact C-O 3.02Å; Q386-I444 VanDerWaalsContact CA-O 3.28Å; Q386-I444 WeakPolarHBondContact CA-O 3.21Å; Q386-I444 HydrophobicContact CG-CB 4.32Å; V387-I444 PolarHBondContact N-O 2.97Å; P442-I444 PolarHBondContact O-N 2.89Å; I444-T519 WeakPolarHBondContact CG2-O 3.24Å; I444-L520 WeakPolarHBondContact CD1-O 3.47Å; I444-E522 HydrophobicContact CD1-CG 3.75Å
445	V	95.2	Very high	91.1	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.1	176.3	-175.3	0	0	0	0	108.3	L369 V387 L389 L392 I428 F447	L369-V445 HydrophobicContact CD2-CG2 3.63Å; V387-V445 CarbonylContact O-C 3.56Å; V387-V445 VanDerWaalsContact O-CA 3.27Å; V387-V445 WeakPolarHBondContact O-CA 3.28Å; L389-V445 HydrophobicContact CB-CG1 4.06Å; L389-V445 HydrophobicContact CD1-CG1 4.28Å; L392-V445 HydrophobicContact CD1-CB 4.49Å; L392-V445 HydrophobicContact CD1-CG1 3.78Å; L392-V445 HydrophobicContact CD1-CG2 3.81Å; I428-V445 HydrophobicContact CD1-CB 4.34Å; I428-V445 HydrophobicContact CD1-CG2 3.98Å; I428-V445 HydrophobicContact CG2-CG2 4.24Å; V445-F447 HydrophobicContact CB-CD1 4.23Å; V445-F447 HydrophobicContact CG1-CD1 4.14Å; V445-F447 WeakPolarHBondContact O-CD1 3.16Å; V445-F447 WeakPolarHBondContact O-CE1 3.42Å
446	N	94.1	Very high	91.4	Very high	58 Å²	58	55.1 Å²	55.1	31%	0.31	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	112.6	176.6	-63.3	-18.1	0	0	0	108.5	Q386 V387 P388 L389	Q386-N446 PolarHBondContact OE1-ND2 3.04Å; Q386-N446 VanDerWaalsContact OE1-ND2 3.07Å; V387-N446 PolarHBondContact O-N 3.4Å; P388-N446 CarbonylContact C-O 3.52Å; P388-N446 WeakPolarHBondContact CA-O 3.14Å; L389-N446 PolarHBondContact N-O 2.75Å
447	F	94.2	Very high	91.8	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.035	22%	0.22	C	C	.	.			trans	-133	142.5	179.5	49.6	-90.9	0	0	0	110.9	L389 V445 L473 I518 T519 C523 W528	L389-F447 HydrophobicContact CB-CB 3.85Å; L389-F447 HydrophobicContact CD2-CB 3.7Å; L389-F447 HydrophobicContact CG-CB 4.34Å; V445-F447 HydrophobicContact CB-CD1 4.23Å; V445-F447 HydrophobicContact CG1-CD1 4.14Å; V445-F447 WeakPolarHBondContact O-CD1 3.16Å; V445-F447 WeakPolarHBondContact O-CE1 3.42Å; F447-L473 HydrophobicContact CD2-CD2 4.3Å; F447-L473 HydrophobicContact CE2-CD2 3.74Å; F447-I518 HydrophobicContact CE2-CG2 3.92Å; F447-I518 HydrophobicContact CZ-CG2 4.07Å; F447-T519 HydrophobicContact CD2-CG2 4.1Å; F447-T519 HydrophobicContact CE2-CG2 3.94Å; F447-T519 HydrophobicContact CZ-CG2 4.32Å; F447-T519 WeakPolarHBondContact O-CG2 3.29Å; F447-C523 HydrophobicContact CE1-CB 4.06Å; F447-C523 HydrophobicContact CZ-CB 4.38Å; F447-W528 HydrophobicContact CB-CH2 4.35Å; F447-W528 HydrophobicContact CD2-CH2 4.11Å; F447-W528 HydrophobicContact CD2-CZ2 4.31Å
448	P	93.3	Very high	92.2	Very high	72 Å²	72	39.8 Å²	39.8	47%	0.468	20%	0.195	S	C	.	.			trans	-73.9	142.9	167.6	32	-31.3	0	0	0	109.2	R450 V452 W528	P448-R450 VanDerWaalsContact C-N 3.34Å; P448-V452 HydrophobicContact CG-CG2 3.64Å; P448-W528 WeakPolarHBondContact O-CH2 3.24Å; P448-W528 WeakPolarHBondContact O-CZ3 3.4Å
449	I	92.6	Very high	92.2	Very high	24 Å²	24	37.2 Å²	37.2	12%	0.123	18%	0.179	C	C	.	.	S	Bend	trans	-78.4	-25.5	-176.2	-67.2	161.9	0	0	0	111.6	L473 W502 P515 I518 T519	I449-L473 HydrophobicContact CG2-CB 4.23Å; I449-L473 HydrophobicContact CG2-CD2 4.49Å; I449-L473 VanDerWaalsContact O-CB 3.31Å; I449-L473 WeakPolarHBondContact O-CB 3.19Å; I449-L473 PolarHBondContact O-N 3.22Å; I449-W502 HydrophobicContact CG2-CH2 4.28Å; I449-W502 HydrophobicContact CG2-CZ2 3.36Å; I449-P515 HydrophobicContact CD1-CB 3.59Å; I449-P515 WeakPolarHBondContact CD1-O 3.24Å; I449-I518 HydrophobicContact CD1-CB 4.22Å; I449-I518 HydrophobicContact CD1-CD1 4.2Å; I449-T519 HydrophobicContact CD1-CG2 4.31Å; I449-T519 HydrophobicContact CG1-CG2 4.23Å
450	R	92	Very high	92.2	Very high	156 Å²	156	41.4 Å²	41.4	59%	0.589	20%	0.196	S	C	*	.	S	Bend	trans	-125.6	157.8	177.2	-67.1	-174.6	176.7	178.3	-0.7	109.5	P448 V452 D472	P448-R450 VanDerWaalsContact C-N 3.34Å; R450-V452 PolarHBondContact O-N 3.22Å; R450-D472 VanDerWaalsContact CA-OD1 3.31Å; R450-D472 WeakPolarHBondContact CA-OD1 3.48Å; R450-D472 WeakPolarHBondContact CB-OD1 3.24Å
451	N	91.6	Very high	92	Very high	15 Å²	15	45.6 Å²	45.6	8%	0.08	22%	0.217	C	C	.	.			trans	58.8	40.2	170.8	-162.3	41.5	0	0	0	115.7	D453 T470 Y471 D472 R539 E543	N451-D453 PolarHBondContact O-N 3.12Å; N451-D453 VanDerWaalsContact O-N 3.17Å; N451-T470 WeakPolarHBondContact OD1-CB 3.36Å; N451-T470 VanDerWaalsContact OD1-CG2 3.24Å; N451-T470 WeakPolarHBondContact OD1-CG2 3.39Å; N451-Y471 PolarHBondContact N-O 3.36Å; N451-D472 PolarHBondContact N-OD1 3.12Å; N451-R539 VanDerWaalsContact OD1-CB 3.24Å; N451-R539 WeakPolarHBondContact OD1-CB 3.43Å; N451-R539 WeakPolarHBondContact OD1-CD 3.48Å; N451-E543 WeakPolarHBondContact CB-OE1 3.45Å; N451-E543 PolarHBondContact ND2-OE1 3.27Å; N451-E543 PolarHBondContact ND2-OE2 3Å
452	V	92.6	Very high	91.8	Very high	14 Å²	14	45 Å²	45	9%	0.085	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	111.6	166.4	174.2	0	0	0	0	108.9	L389 L393 P448 R450 L454 T470 Y471 W528	L389-V452 HydrophobicContact CD2-CG1 4.41Å; L389-V452 HydrophobicContact CD2-CG2 4.26Å; L393-V452 HydrophobicContact CD1-CG1 4.45Å; P448-V452 HydrophobicContact CG-CG2 3.64Å; R450-V452 PolarHBondContact O-N 3.22Å; V452-L454 HydrophobicContact CG1-CD2 3.93Å; V452-T470 CarbonylContact O-C 3.52Å; V452-T470 WeakPolarHBondContact O-CA 3.46Å; V452-Y471 PolarHBondContact N-O 3.47Å; V452-Y471 PolarHBondContact O-N 3.37Å; V452-W528 HydrophobicContact CB-CE3 4.41Å; V452-W528 HydrophobicContact CB-CZ3 4.08Å; V452-W528 HydrophobicContact CG2-CE3 4.14Å; V452-W528 HydrophobicContact CG2-CH2 3.59Å; V452-W528 HydrophobicContact CG2-CZ2 4.5Å; V452-W528 HydrophobicContact CG2-CZ3 3.36Å
453	D	92.7	Very high	91.6	Very high	31 Å²	31	46.4 Å²	46.4	17%	0.166	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	120.9	177.9	-174.4	6.9	0	0	0	111.2	N451 Y455 T469 T470 R536 H540	N451-D453 PolarHBondContact O-N 3.12Å; N451-D453 VanDerWaalsContact O-N 3.17Å; D453-Y455 WeakPolarHBondContact OD1-CB 3.39Å; D453-Y455 PolarHBondContact OD1-N 2.96Å; D453-T469 PolarHBondContact OD1-OG1 3.3Å; D453-T470 HydrophobicContact CB-CG2 4.28Å; D453-R536 IonicContact OD1-NE 3.17Å; D453-R536 IonicContact OD2-CZ 2.63Å; D453-R536 VanDerWaalsContact OD2-CZ 3.29Å; D453-R536 IonicContact OD2-NE 3Å; D453-R536 PolarHBondContact OD2-NE 2.99Å; D453-R536 IonicContact OD2-NH2 2.82Å; D453-R536 PolarHBondContact OD2-NH2 3.35Å; D453-H540 IonicContact OD2-CE1 3.86Å; D453-H540 IonicContact OD2-NE2 3.15Å; D453-H540 PolarHBondContact OD2-NE2 3.16Å
454	L	92.9	Very high	91.2	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	25%	0.251	C	S	.	.			trans	-99.9	5.4	177.5	-60.1	-175.8	0	0	0	113.9	L393 L420 L424 V452 E456 Y457 T469 Y471	L393-L454 HydrophobicContact CD1-CD2 3.73Å; L420-L454 HydrophobicContact CD1-CB 4.43Å; L420-L454 HydrophobicContact CD2-CB 4.32Å; L420-L454 HydrophobicContact CD2-CD1 3.75Å; L424-L454 HydrophobicContact CD2-CD1 3.46Å; L424-L454 VanDerWaalsContact CD2-CD1 3.46Å; V452-L454 HydrophobicContact CG1-CD2 3.93Å; L454-E456 PolarHBondContact O-N 2.75Å; L454-E456 VanDerWaalsContact O-N 3.17Å; L454-Y457 HydrophobicContact CB-CD2 4.13Å; L454-Y457 HydrophobicContact CD2-CD2 3.67Å; L454-Y457 HydrophobicContact CD2-CE2 3.82Å; L454-Y457 PolarHBondContact O-N 3.36Å; L454-T469 PolarHBondContact N-O 2.94Å; L454-Y471 HydrophobicContact CD1-CD2 3.63Å; L454-Y471 HydrophobicContact CD1-CE2 3.53Å; L454-Y471 HydrophobicContact CD1-CG 4.48Å; L454-Y471 HydrophobicContact CG-CD2 3.95Å; L454-Y471 HydrophobicContact CG-CE2 4.2Å
455	Y	91.5	Very high	90.8	Very high	72 Å²	72	56.1 Å²	56.1	28%	0.282	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-54	-37.9	-176.3	-177	-94	0	0	0	113.6	D453 Y457 L458 R463 T469	D453-Y455 WeakPolarHBondContact OD1-CB 3.39Å; D453-Y455 PolarHBondContact OD1-N 2.96Å; Y455-Y457 VanDerWaalsContact C-N 3.28Å; Y455-Y457 PolarHBondContact O-N 2.99Å; Y455-L458 PolarHBondContact O-N 3.35Å; Y455-R463 HydrophobicContact CD2-CG 4.22Å; Y455-R463 HydrophobicContact CE1-CG 4.17Å; Y455-R463 HydrophobicContact CE2-CB 3.76Å; Y455-R463 HydrophobicContact CE2-CG 3.8Å; Y455-R463 PolarHBondContact O-NE 3.12Å; Y455-T469 HydrophobicContact CD2-CG2 4.18Å
456	E	90	Very high	90.3	Very high	125 Å²	125	58.6 Å²	58.6	58%	0.584	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-71.6	-20.4	-178.2	-61.3	-167.8	167.8	0	0	114	L454 R463	L454-E456 PolarHBondContact O-N 2.75Å; L454-E456 VanDerWaalsContact O-N 3.17Å; E456-R463 PolarHBondContact O-NH2 2.84Å
457	Y	91.5	Very high	89.7	Confident	21 Å²	21	62.6 Å²	62.6	8%	0.082	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-92.6	-5.3	178.7	-45	-66.7	0	0	0	112.7	L393 N397 I417 L454 Y455	L393-Y457 HydrophobicContact CB-CD1 4.34Å; L393-Y457 HydrophobicContact CB-CD2 4.36Å; L393-Y457 HydrophobicContact CB-CE1 3.77Å; L393-Y457 HydrophobicContact CB-CE2 3.83Å; L393-Y457 VanDerWaalsContact CB-CZ 3.49Å; L393-Y457 HydrophobicContact CD1-CE2 3.89Å; L393-Y457 HydrophobicContact CG-CE2 4.46Å; L393-Y457 WeakPolarHBondContact O-CD1 3.47Å; N397-Y457 HydrophobicContact CB-CD1 4.02Å; I417-Y457 PolarHBondContact N-O 3.42Å; L454-Y457 HydrophobicContact CB-CD2 4.13Å; L454-Y457 HydrophobicContact CD2-CD2 3.67Å; L454-Y457 HydrophobicContact CD2-CE2 3.82Å; L454-Y457 PolarHBondContact O-N 3.36Å; Y455-Y457 VanDerWaalsContact C-N 3.28Å; Y455-Y457 PolarHBondContact O-N 2.99Å
458	L	92	Very high	89.6	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-80.3	147.9	175.8	-70.4	173.1	0	0	0	111.7	I417 L420 Y455 A462 R463 L466 T469	I417-L458 HydrophobicContact CB-CD2 4.03Å; I417-L458 HydrophobicContact CG2-CD2 3.75Å; I417-L458 CarbonylContact O-C 3.56Å; I417-L458 VanDerWaalsContact O-CA 3.32Å; I417-L458 WeakPolarHBondContact O-CA 3.43Å; L420-L458 HydrophobicContact CD1-CD1 3.92Å; L420-L458 HydrophobicContact CD1-CD2 3.86Å; L420-L458 HydrophobicContact CD1-CG 4.21Å; L420-L458 HydrophobicContact CD2-CD2 4.36Å; L420-L458 HydrophobicContact CG-CD2 3.71Å; Y455-L458 PolarHBondContact O-N 3.35Å; L458-A462 HydrophobicContact CB-CB 4.19Å; L458-A462 HydrophobicContact CD2-CB 4.16Å; L458-R463 HydrophobicContact CB-CG 3.81Å; L458-R463 PolarHBondContact O-NE 2.73Å; L458-R463 PolarHBondContact O-NH2 3.01Å; L458-L466 HydrophobicContact CD1-CD1 3.86Å; L458-L466 HydrophobicContact CD2-CD1 4.01Å; L458-T469 HydrophobicContact CD1-CG2 3.55Å
459	S	90.3	Very high	89.5	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.021	29%	0.294	C	S	.	.			trans	-59.9	154.6	166.6	62.4	0	0	0	0	112.8	E416 I417 E461 A462 R463	E416-S459 VanDerWaalsContact OE1-CA 3.23Å; E416-S459 WeakPolarHBondContact OE1-CA 3.4Å; I417-S459 PolarHBondContact O-N 3.07Å; S459-E461 WeakPolarHBondContact CB-OE2 3.43Å; S459-E461 PolarHBondContact O-N 2.82Å; S459-A462 PolarHBondContact O-N 3.06Å; S459-A462 VanDerWaalsContact O-N 3.12Å; S459-A462 WeakPolarHBondContact OG-CB 3.37Å; S459-A462 PolarHBondContact OG-N 3.4Å; S459-R463 WeakPolarHBondContact O-CG 3.05Å; S459-R463 PolarHBondContact O-N 2.99Å
460	K	88.6	Confident	89.6	Confident	165 Å²	165	60.2 Å²	60.2	72%	0.717	29%	0.288	S	S	*	.	H	α-helix	trans	-57.4	-38.7	-179.2	-69.4	-177.9	-178.7	177.2	0	111.6	T464	K460-T464 PolarHBondContact O-OG1 3.01Å
461	E	88	Confident	89.8	Confident	120 Å²	120	52.8 Å²	52.8	56%	0.561	26%	0.261	S	S	*	.	H	α-helix	trans	-66.6	-44.7	177.6	-54.7	84.8	174.8	0	0	111.2	S459 R463 T464 S465	S459-E461 WeakPolarHBondContact CB-OE2 3.43Å; S459-E461 PolarHBondContact O-N 2.82Å; E461-R463 PolarHBondContact O-N 2.89Å; E461-T464 PolarHBondContact O-N 3.08Å; E461-S465 PolarHBondContact O-N 2.8Å
462	A	86.9	Confident	90	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.033	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-39.2	179.6	0	0	0	0	0	112.2	T418 L458 S459 T464 S465 L466	T418-A462 VanDerWaalsContact O-CB 3.23Å; T418-A462 WeakPolarHBondContact O-CB 3.29Å; L458-A462 HydrophobicContact CB-CB 4.19Å; L458-A462 HydrophobicContact CD2-CB 4.16Å; S459-A462 PolarHBondContact O-N 3.06Å; S459-A462 VanDerWaalsContact O-N 3.12Å; S459-A462 WeakPolarHBondContact OG-CB 3.37Å; S459-A462 PolarHBondContact OG-N 3.4Å; A462-T464 PolarHBondContact O-N 3.4Å; A462-S465 PolarHBondContact O-N 2.8Å; A462-S465 PolarHBondContact O-OG 3.19Å; A462-L466 HydrophobicContact CB-CD1 4.21Å; A462-L466 WeakPolarHBondContact O-CB 3.46Å; A462-L466 PolarHBondContact O-N 3.2Å
463	R	87.4	Confident	90.2	Very high	72 Å²	72	53 Å²	53	27%	0.272	26%	0.261	S	S	.	.	H	α-helix	trans	-58.2	-31.4	178	-73.7	176.5	-158.2	-158.7	-0.8	113.8	Y455 E456 L458 S459 E461	Y455-R463 HydrophobicContact CD2-CG 4.22Å; Y455-R463 HydrophobicContact CE1-CG 4.17Å; Y455-R463 HydrophobicContact CE2-CB 3.76Å; Y455-R463 HydrophobicContact CE2-CG 3.8Å; Y455-R463 PolarHBondContact O-NE 3.12Å; E456-R463 PolarHBondContact O-NH2 2.84Å; L458-R463 HydrophobicContact CB-CG 3.81Å; L458-R463 PolarHBondContact O-NE 2.73Å; L458-R463 PolarHBondContact O-NH2 3.01Å; S459-R463 WeakPolarHBondContact O-CG 3.05Å; S459-R463 PolarHBondContact O-N 2.99Å; E461-R463 PolarHBondContact O-N 2.89Å
464	T	84.7	Confident	90.4	Very high	131 Å²	131	51.9 Å²	51.9	80%	0.804	26%	0.255	S	S	*	.	H	α-helix	trans	-79.5	-31.8	177.6	-51.3	0	0	0	0	111.7	K460 E461 A462	K460-T464 PolarHBondContact O-OG1 3.01Å; E461-T464 PolarHBondContact O-N 3.08Å; A462-T464 PolarHBondContact O-N 3.4Å
465	S	84.8	Confident	90.6	Very high	86 Å²	86	51.8 Å²	51.8	60%	0.601	25%	0.254	S	S	*	.	H	α-helix	trans	-84.8	-30.8	-177	68.8	0	0	0	0	114.3	E461 A462	E461-S465 PolarHBondContact O-N 2.8Å; A462-S465 PolarHBondContact O-N 2.8Å; A462-S465 PolarHBondContact O-OG 3.19Å
466	L	83.9	Confident	91	Very high	52 Å²	52	48.3 Å²	48.3	27%	0.272	24%	0.241	S	C	.	.			trans	-98.1	112.8	-171.5	-66.8	171.5	0	0	0	111.3	L420 L458 A462 T469	L420-L466 HydrophobicContact CD1-CD1 4.34Å; L458-L466 HydrophobicContact CD1-CD1 3.86Å; L458-L466 HydrophobicContact CD2-CD1 4.01Å; A462-L466 HydrophobicContact CB-CD1 4.21Å; A462-L466 WeakPolarHBondContact O-CB 3.46Å; A462-L466 PolarHBondContact O-N 3.2Å; L466-T469 HydrophobicContact CB-CG2 4.27Å
467	Q	83.1	Confident	91.3	Very high	142 Å²	142	42.5 Å²	42.5	66%	0.664	21%	0.214	S	C	*	.	S	Bend	trans	-78.3	-29.7	175.6	-64.8	-179.9	-6.4	0	0	112.9
468	F	90.7	Very high	91.6	Very high	52 Å²	52	41.5 Å²	41.5	23%	0.228	21%	0.21	C	C	.	.			trans	-113.4	124.7	-176	-56.9	-74.2	0	0	0	109.8	L530 N531 H532 T535	F468-L530 HydrophobicContact CB-CD1 4.27Å; F468-L530 HydrophobicContact CB-CG 4.43Å; F468-N531 WeakPolarHBondContact CB-O 3.19Å; F468-N531 VanDerWaalsContact CD1-O 3.26Å; F468-N531 WeakPolarHBondContact CD1-O 3.26Å; F468-H532 VanDerWaalsContact CE1-O 3.3Å; F468-H532 WeakPolarHBondContact CE1-O 3.36Å; F468-H532 WeakPolarHBondContact CZ-O 3.47Å; F468-T535 HydrophobicContact CE1-CG2 4.32Å
469	T	92.2	Very high	91.8	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	21%	0.211	C	C	.	.			trans	-142.8	2.5	-173.5	47.3	0	0	0	0	113.3	L420 D453 L454 Y455 L458 L466	L420-T469 HydrophobicContact CD1-CG2 4.21Å; D453-T469 PolarHBondContact OD1-OG1 3.3Å; L454-T469 PolarHBondContact N-O 2.94Å; Y455-T469 HydrophobicContact CD2-CG2 4.18Å; L458-T469 HydrophobicContact CD1-CG2 3.55Å; L466-T469 HydrophobicContact CB-CG2 4.27Å
470	T	94.3	Very high	91.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	137.3	-176.6	53.7	0	0	0	0	110.7	N451 V452 D453 N531	N451-T470 WeakPolarHBondContact OD1-CB 3.36Å; N451-T470 VanDerWaalsContact OD1-CG2 3.24Å; N451-T470 WeakPolarHBondContact OD1-CG2 3.39Å; V452-T470 CarbonylContact O-C 3.52Å; V452-T470 WeakPolarHBondContact O-CA 3.46Å; D453-T470 HydrophobicContact CB-CG2 4.28Å; T470-N531 PolarHBondContact O-N 3.48Å
471	Y	96.3	Very high	92	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	146.4	-174.3	-80	-96.6	0	0	0	112.5	L420 P421 L424 N451 V452 L454 W528 E529 L530	L420-Y471 WeakPolarHBondContact CB-OH 3.45Å; L420-Y471 HydrophobicContact CD1-CE2 4.13Å; L420-Y471 HydrophobicContact CD2-CE2 4.11Å; P421-Y471 PolarHBondContact O-OH 3.46Å; L424-Y471 HydrophobicContact CB-CD1 4.1Å; L424-Y471 HydrophobicContact CB-CE1 3.62Å; N451-Y471 PolarHBondContact N-O 3.36Å; V452-Y471 PolarHBondContact N-O 3.47Å; V452-Y471 PolarHBondContact O-N 3.37Å; L454-Y471 HydrophobicContact CD1-CD2 3.63Å; L454-Y471 HydrophobicContact CD1-CE2 3.53Å; L454-Y471 HydrophobicContact CD1-CG 4.48Å; L454-Y471 HydrophobicContact CG-CD2 3.95Å; L454-Y471 HydrophobicContact CG-CE2 4.2Å; Y471-W528 HydrophobicContact CD1-CB 3.72Å; Y471-W528 HydrophobicContact CG-CB 4.26Å; Y471-E529 CarbonylContact C-O 3.53Å; Y471-E529 VanDerWaalsContact CA-O 3.22Å; Y471-E529 WeakPolarHBondContact CA-O 3.14Å; Y471-E529 WeakPolarHBondContact CD1-O 3.32Å; Y471-L530 HydrophobicContact CD1-CB 4.23Å; Y471-L530 HydrophobicContact CD2-CD1 4.09Å; Y471-L530 HydrophobicContact CE1-CB 3.69Å; Y471-L530 HydrophobicContact CE1-CD1 4.34Å; Y471-L530 HydrophobicContact CE2-CB 4.49Å; Y471-L530 HydrophobicContact CE2-CD1 3.59Å
472	D	96	Very high	91.9	Very high	27 Å²	27	38 Å²	38	14%	0.144	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.5	172.5	-59.8	-34.5	0	0	0	110.8	R450 N451 W528 E529 R539	R450-D472 VanDerWaalsContact CA-OD1 3.31Å; R450-D472 WeakPolarHBondContact CA-OD1 3.48Å; R450-D472 WeakPolarHBondContact CB-OD1 3.24Å; N451-D472 PolarHBondContact N-OD1 3.12Å; D472-W528 CarbonylContact O-C 3.54Å; D472-W528 VanDerWaalsContact O-CA 3.31Å; D472-W528 WeakPolarHBondContact O-CA 3.12Å; D472-E529 PolarHBondContact N-O 3.05Å; D472-E529 PolarHBondContact O-N 3.28Å; D472-R539 VanDerWaalsContact CG-NH1 3.3Å; D472-R539 IonicContact OD1-CZ 3.29Å; D472-R539 IonicContact OD1-NH1 3.47Å; D472-R539 PolarHBondContact OD1-NH1 3.14Å; D472-R539 IonicContact OD1-NH2 2.67Å; D472-R539 IonicContact OD2-CZ 3.4Å; D472-R539 IonicContact OD2-NH1 2.71Å; D472-R539 PolarHBondContact OD2-NH1 3.1Å; D472-R539 IonicContact OD2-NH2 2.72Å; D472-R539 PolarHBondContact OD2-NH2 2.83Å
473	L	97.2	Very high	91.6	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	132.5	178.1	-172.4	69.9	0	0	0	109.4	F447 I449 A475 N476 W502 I518 Q526 W528	F447-L473 HydrophobicContact CD2-CD2 4.3Å; F447-L473 HydrophobicContact CE2-CD2 3.74Å; I449-L473 HydrophobicContact CG2-CB 4.23Å; I449-L473 HydrophobicContact CG2-CD2 4.49Å; I449-L473 VanDerWaalsContact O-CB 3.31Å; I449-L473 WeakPolarHBondContact O-CB 3.19Å; I449-L473 PolarHBondContact O-N 3.22Å; L473-A475 WeakPolarHBondContact CD1-O 3.41Å; L473-N476 HydrophobicContact CD2-CB 4.25Å; L473-W502 HydrophobicContact CB-CH2 4Å; L473-W502 HydrophobicContact CB-CZ2 4.35Å; L473-W502 HydrophobicContact CD2-CH2 3.81Å; L473-W502 HydrophobicContact CD2-CZ2 4.47Å; L473-W502 HydrophobicContact CD2-CZ3 4.4Å; L473-W502 HydrophobicContact CG-CH2 3.71Å; L473-W502 HydrophobicContact CG-CZ2 4.49Å; L473-W502 HydrophobicContact CG-CZ3 4.49Å; L473-W502 VanDerWaalsContact O-CH2 3.23Å; L473-W502 WeakPolarHBondContact O-CH2 3.37Å; L473-W502 VanDerWaalsContact O-CZ2 3.26Å; L473-W502 WeakPolarHBondContact O-CZ2 3.3Å; L473-I518 HydrophobicContact CD2-CG2 4.01Å; L473-Q526 HydrophobicContact CD1-CB 3.77Å; L473-Q526 HydrophobicContact CD1-CG 3.97Å; L473-W528 HydrophobicContact CB-CD2 4.25Å; L473-W528 HydrophobicContact CB-CE3 3.82Å; L473-W528 HydrophobicContact CB-CH2 3.93Å; L473-W528 HydrophobicContact CB-CZ2 4.38Å; L473-W528 HydrophobicContact CB-CZ3 3.64Å; L473-W528 HydrophobicContact CD1-CD2 3.89Å; L473-W528 HydrophobicContact CD1-CE3 4.32Å; L473-W528 HydrophobicContact CD1-CG 4.39Å; L473-W528 HydrophobicContact CD1-CH2 4.12Å; L473-W528 HydrophobicContact CD1-CZ2 3.69Å; L473-W528 HydrophobicContact CD1-CZ3 4.42Å; L473-W528 HydrophobicContact CG-CH2 4.45Å; L473-W528 HydrophobicContact CG-CZ2 4.48Å; L473-W528 VanDerWaalsContact N-CE3 3.29Å
474	I	96.7	Very high	90.9	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.041	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	-28	175.9	60.7	157.2	0	0	0	113	V220 Y423 S495 I527 E529	V220-I474 HydrophobicContact CG2-CD1 3.94Å; Y423-I474 HydrophobicContact CD1-CD1 3.85Å; Y423-I474 HydrophobicContact CE1-CD1 3.84Å; I474-S495 PolarHBondContact O-N 3.48Å; I474-I527 HydrophobicContact CD1-CB 4.24Å; I474-I527 HydrophobicContact CD1-CG2 3.75Å; I474-I527 HydrophobicContact CG1-CB 3.96Å; I474-I527 HydrophobicContact CG1-CG2 3.89Å; I474-I527 WeakPolarHBondContact CG1-O 3.14Å; I474-I527 PolarHBondContact N-O 3.42Å; I474-E529 HydrophobicContact CG2-CB 3.83Å
475	A	97.7	Very high	90.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	136.3	-179	0	0	0	0	0	110.6	A216 L473 I492 Q493 L494 Q526 I527	A216-A475 HydrophobicContact CB-CB 4.19Å; L473-A475 WeakPolarHBondContact CD1-O 3.41Å; A475-I492 HydrophobicContact CB-CD1 4.36Å; A475-Q493 CarbonylContact C-O 3.45Å; A475-Q493 WeakPolarHBondContact CA-O 3.41Å; A475-L494 HydrophobicContact CB-CD2 3.68Å; A475-Q526 CarbonylContact O-C 3.23Å; A475-Q526 WeakPolarHBondContact O-CA 3.16Å; A475-I527 HydrophobicContact CB-CB 4.17Å; A475-I527 HydrophobicContact CB-CG1 4.34Å; A475-I527 PolarHBondContact N-O 3.26Å; A475-I527 PolarHBondContact O-N 3.24Å
476	N	98	Very high	89.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	107.5	175.5	179.2	51	0	0	0	109.3	L473 Q493 I518 T521 C523 Q526	L473-N476 HydrophobicContact CD2-CB 4.25Å; N476-Q493 HydrophobicContact CB-CB 4.27Å; N476-Q493 PolarHBondContact N-O 2.73Å; N476-Q493 PolarHBondContact ND2-OE1 3.27Å; N476-Q493 PolarHBondContact O-N 3.23Å; N476-I518 HydrophobicContact CB-CG2 4.3Å; N476-T521 PolarHBondContact ND2-OG1 2.82Å; N476-C523 WeakPolarHBondContact OD1-CB 3.5Å; N476-Q526 WeakPolarHBondContact OD1-CG 3.27Å; N476-Q526 PolarHBondContact OD1-NE2 3.39Å
477	I	97.9	Very high	89.4	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.4	172	-60.5	177	0	0	0	107.8	V212 V213 A216 Y490 I492 Y524 I525	V212-I477 HydrophobicContact CB-CD1 4.22Å; V212-I477 HydrophobicContact CB-CG1 4.18Å; V212-I477 HydrophobicContact CB-CG2 4.06Å; V212-I477 HydrophobicContact CG2-CD1 4.06Å; V212-I477 HydrophobicContact CG2-CG1 4.38Å; V212-I477 HydrophobicContact CG2-CG2 3.69Å; V213-I477 HydrophobicContact CG2-CD1 4.06Å; A216-I477 HydrophobicContact CB-CD1 3.98Å; A216-I477 HydrophobicContact CB-CG1 4.37Å; I477-Y490 HydrophobicContact CG2-CD1 4.08Å; I477-I492 HydrophobicContact CG1-CB 4.48Å; I477-I492 HydrophobicContact CG1-CD1 3.91Å; I477-I492 HydrophobicContact CG1-CG1 4.05Å; I477-Y524 WeakPolarHBondContact O-CA 3.47Å; I477-Y524 WeakPolarHBondContact O-CB 3.31Å; I477-Y524 PolarHBondContact O-N 2.87Å; I477-I525 HydrophobicContact CB-CB 4.09Å; I477-I525 HydrophobicContact CD1-CB 4.09Å; I477-I525 HydrophobicContact CD1-CD1 4.32Å; I477-I525 HydrophobicContact CD1-CG2 4.36Å; I477-I525 HydrophobicContact CG1-CB 4.41Å; I477-I525 PolarHBondContact N-O 3.04Å; I477-I525 PolarHBondContact O-N 3.15Å
478	V	97	Very high	89.7	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142	178.5	-178.3	0	0	0	0	108.2	Y490 R491 T521	V478-Y490 WeakPolarHBondContact O-CA 3.41Å; V478-R491 HydrophobicContact CB-CG 3.95Å; V478-R491 HydrophobicContact CG1-CG 4.49Å; V478-R491 PolarHBondContact N-O 2.61Å; V478-R491 PolarHBondContact O-N 3.33Å; V478-T521 HydrophobicContact CG2-CG2 4.43Å; V478-T521 WeakPolarHBondContact CG2-OG1 3.46Å
479	H	95.3	Very high	89.8	Confident	4 Å²	4	31.6 Å²	31.6	2%	0.019	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.8	169.1	173.9	-73.5	0	0	0	108.6	F431 K440 T489 Y490 Y524	F431-H479 HydrophobicContact CZ-CB 4.47Å; F431-H479 AromaticContact CZ-CD2 3.78Å; F431-H479 AromaticContact CZ-CE1 3.69Å; F431-H479 AromaticContact CZ-CG 3.72Å; F431-H479 AromaticContact CZ-ND1 3.67Å; F431-H479 AromaticContact CZ-NE2 3.71Å; K440-H479 WeakPolarHBondContact CE-ND1 3.2Å; K440-H479 WeakPolarHBondContact CE-O 3.46Å; K440-H479 PolarHBondContact NZ-ND1 3.43Å; K440-H479 PolarHBondContact NZ-O 3.34Å; H479-T489 WeakPolarHBondContact CA-O 3.4Å; H479-Y490 HydrophobicContact CB-CD1 4Å; H479-Y490 HydrophobicContact CB-CE1 3.83Å; H479-Y490 AromaticContact CD2-CE1 3.61Å; H479-Y490 AromaticContact CD2-CE2 3.77Å; H479-Y490 AromaticContact CD2-CZ 3.46Å; H479-Y490 VanDerWaalsContact CD2-CZ 3.46Å; H479-Y524 HydrophobicContact CB-CG 4.45Å
480	D	92.8	Very high	89.9	Confident	40 Å²	40	31.9 Å²	31.9	21%	0.214	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	157	174.8	-57.2	-80.9	0	0	0	110.4	G488 T489 R491	D480-G488 CarbonylContact O-C 3.54Å; D480-G488 WeakPolarHBondContact O-CA 3.17Å; D480-T489 PolarHBondContact N-O 2.81Å; D480-T489 PolarHBondContact O-N 2.93Å; D480-R491 IonicContact OD1-CZ 2.87Å; D480-R491 IonicContact OD1-NE 3.73Å; D480-R491 IonicContact OD1-NH2 2.81Å; D480-R491 PolarHBondContact OD1-NH2 2.89Å; D480-R491 WeakPolarHBondContact OD2-CD 3.46Å; D480-R491 IonicContact OD2-CZ 3.65Å; D480-R491 IonicContact OD2-NE 2.69Å; D480-R491 PolarHBondContact OD2-NE 3.09Å; D480-R491 IonicContact OD2-NH2 3.01Å; D480-R491 PolarHBondContact OD2-NH2 3.37Å
481	G	90.7	Very high	90	Very high	42 Å²	42	33.6 Å²	33.6	43%	0.433	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	84.3	-171	179.4	0	0	0	0	0	115	K440	K440-G481 VanDerWaalsContact CD-O 3.23Å; K440-G481 WeakPolarHBondContact CD-O 3.41Å; K440-G481 PolarHBondContact NZ-O 3.47Å
482	Q	87.1	Confident	90.1	Very high	130 Å²	130	33.6 Å²	33.6	61%	0.607	20%	0.199	S	C	*	.			trans	-83.9	153.8	-171.2	-68.3	-62.9	-25.2	0	0	111.9	G484 Q487	Q482-G484 PolarHBondContact O-N 3.31Å; Q482-Q487 HydrophobicContact CB-CB 4.16Å; Q482-Q487 PolarHBondContact N-O 3.14Å; Q482-Q487 CarbonylContact O-C 3.28Å
483	P	80	Confident	90.2	Very high	21 Å²	21	32.3 Å²	32.3	14%	0.136	19%	0.192	C	C	.	.	S	Bend	trans	-68.9	119	173.6	29.1	-33.1	0	0	0	110.6	F431 V438 K440	F431-P483 HydrophobicContact CD1-CB 3.81Å; F431-P483 HydrophobicContact CE1-CB 3.88Å; V438-P483 HydrophobicContact CB-CB 4.14Å; V438-P483 HydrophobicContact CG1-CB 3.86Å; V438-P483 WeakPolarHBondContact O-CG 3.22Å; K440-P483 HydrophobicContact CB-CB 4.26Å; K440-P483 HydrophobicContact CB-CG 4.02Å
484	G	72.3	Confident	90.2	Very high	37 Å²	37	32 Å²	32	38%	0.381	19%	0.191	S	C	.	.	S	Bend	trans	159.6	154.5	177.1	0	0	0	0	0	111.2	Q482 D486 Q487	Q482-G484 PolarHBondContact O-N 3.31Å; G484-D486 PolarHBondContact O-N 3.2Å; G484-Q487 PolarHBondContact O-N 3.33Å
485	A	67.4	Low	90.1	Very high	55 Å²	55	32.5 Å²	32.5	46%	0.455	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	125.1	171.2	0	0	0	0	0	108.6	Q487	A485-Q487 VanDerWaalsContact C-N 3.3Å; A485-Q487 PolarHBondContact O-N 3.44Å
486	D	71.9	Confident	89.9	Confident	97 Å²	97	32.8 Å²	32.8	52%	0.519	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	18.1	174.9	-42.7	-25.2	0	0	0	114.8	N206 G484	N206-D486 PolarHBondContact ND2-OD1 2.84Å; N206-D486 PolarHBondContact ND2-OD2 3.3Å; G484-D486 PolarHBondContact O-N 3.2Å
487	Q	82.4	Confident	89.5	Confident	125 Å²	125	37.2 Å²	37.2	58%	0.584	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-10.3	176.3	-63.2	-171.9	-4.4	0	0	114.3	Q482 G484 A485	Q482-Q487 HydrophobicContact CB-CB 4.16Å; Q482-Q487 PolarHBondContact N-O 3.14Å; Q482-Q487 CarbonylContact O-C 3.28Å; G484-Q487 PolarHBondContact O-N 3.33Å; A485-Q487 VanDerWaalsContact C-N 3.3Å; A485-Q487 PolarHBondContact O-N 3.44Å
488	G	89.3	Confident	89.1	Confident	6 Å²	6	38.1 Å²	38.1	6%	0.062	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	160.2	176.8	0	0	0	0	0	111.2	Q290 D480	Q290-G488 PolarHBondContact NE2-O 3.16Å; Q290-G488 PolarHBondContact OE1-O 3.26Å; D480-G488 CarbonylContact O-C 3.54Å; D480-G488 WeakPolarHBondContact O-CA 3.17Å
489	T	93.1	Very high	88.9	Confident	62 Å²	62	40 Å²	40	38%	0.38	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.3	174.9	56.7	0	0	0	0	109.8	D208 H479 D480	D208-T489 WeakPolarHBondContact OD2-CA 3.36Å; H479-T489 WeakPolarHBondContact CA-O 3.4Å; D480-T489 PolarHBondContact N-O 2.81Å; D480-T489 PolarHBondContact O-N 2.93Å
490	Y	95.1	Very high	88.7	Confident	7 Å²	7	41.2 Å²	41.2	3%	0.027	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.3	173	-70.3	-85.9	0	0	0	110.5	D208 V212 Q290 D292 A293 I477 V478 H479 Y524	D208-Y490 PolarHBondContact OD2-N 3.38Å; V212-Y490 HydrophobicContact CG2-CD1 4.37Å; V212-Y490 HydrophobicContact CG2-CG 4.3Å; Q290-Y490 HydrophobicContact CG-CE2 4.41Å; D292-Y490 PolarHBondContact OD1-OH 3.15Å; A293-Y490 HydrophobicContact CB-CD1 4.02Å; A293-Y490 HydrophobicContact CB-CE1 3.54Å; A293-Y490 PolarHBondContact N-OH 3.3Å; I477-Y490 HydrophobicContact CG2-CD1 4.08Å; V478-Y490 WeakPolarHBondContact O-CA 3.41Å; H479-Y490 HydrophobicContact CB-CD1 4Å; H479-Y490 HydrophobicContact CB-CE1 3.83Å; H479-Y490 AromaticContact CD2-CE1 3.61Å; H479-Y490 AromaticContact CD2-CE2 3.77Å; H479-Y490 AromaticContact CD2-CZ 3.46Å; H479-Y490 VanDerWaalsContact CD2-CZ 3.46Å; Y490-Y524 AromaticContact CE1-CD1 3.75Å; Y490-Y524 HydrophobicContact CE1-CD1 3.75Å; Y490-Y524 AromaticContact CE1-CE1 3.9Å; Y490-Y524 HydrophobicContact CE1-CE1 3.9Å
491	R	96.1	Very high	88.8	Confident	36 Å²	36	43.3 Å²	43.3	14%	0.136	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	159.8	168.6	61.1	178.1	167.6	132.1	-1.4	110	V478 D480 E504 E506	V478-R491 HydrophobicContact CB-CG 3.95Å; V478-R491 HydrophobicContact CG1-CG 4.49Å; V478-R491 PolarHBondContact N-O 2.61Å; V478-R491 PolarHBondContact O-N 3.33Å; D480-R491 IonicContact OD1-CZ 2.87Å; D480-R491 IonicContact OD1-NE 3.73Å; D480-R491 IonicContact OD1-NH2 2.81Å; D480-R491 PolarHBondContact OD1-NH2 2.89Å; D480-R491 WeakPolarHBondContact OD2-CD 3.46Å; D480-R491 IonicContact OD2-CZ 3.65Å; D480-R491 IonicContact OD2-NE 2.69Å; D480-R491 PolarHBondContact OD2-NE 3.09Å; D480-R491 IonicContact OD2-NH2 3.01Å; D480-R491 PolarHBondContact OD2-NH2 3.37Å; R491-E504 WeakPolarHBondContact CD-OE1 3.23Å; R491-E504 IonicContact CZ-OE1 2.65Å; R491-E504 IonicContact CZ-OE2 3.68Å; R491-E504 IonicContact NE-OE1 3.34Å; R491-E504 IonicContact NH1-OE1 2.69Å; R491-E504 PolarHBondContact NH1-OE1 2.88Å; R491-E504 IonicContact NH1-OE2 3.93Å; R491-E504 PolarHBondContact NH1-OE2 3.04Å; R491-E506 HydrophobicContact CB-CB 4.18Å; R491-E506 HydrophobicContact CB-CG 4.34Å
492	I	97.8	Very high	89.1	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.3	179.9	-172	170.3	0	0	0	111.6	V212 H215 A216 A475 I477 L494 E504 L505	V212-I492 HydrophobicContact CB-CB 4.06Å; V212-I492 HydrophobicContact CB-CG2 4.47Å; V212-I492 HydrophobicContact CG1-CB 3.99Å; V212-I492 HydrophobicContact CG1-CG2 4.22Å; V212-I492 VanDerWaalsContact O-CD1 3.23Å; V212-I492 WeakPolarHBondContact O-CD1 3.45Å; H215-I492 HydrophobicContact CB-CD1 3.89Å; H215-I492 HydrophobicContact CB-CG2 3.97Å; A216-I492 HydrophobicContact CB-CD1 3.61Å; A475-I492 HydrophobicContact CB-CD1 4.36Å; I477-I492 HydrophobicContact CG1-CB 4.48Å; I477-I492 HydrophobicContact CG1-CD1 3.91Å; I477-I492 HydrophobicContact CG1-CG1 4.05Å; I492-L494 HydrophobicContact CD1-CD1 4.5Å; I492-L494 HydrophobicContact CD1-CD2 3.52Å; I492-L494 HydrophobicContact CD1-CG 3.99Å; I492-L494 HydrophobicContact CG1-CD2 3.9Å; I492-L494 HydrophobicContact CG1-CG 3.95Å; I492-L494 HydrophobicContact CG2-CD1 4.4Å; I492-L494 HydrophobicContact CG2-CG 4.41Å; I492-E504 CarbonylContact O-C 3.49Å; I492-E504 WeakPolarHBondContact O-CA 3.44Å; I492-L505 HydrophobicContact CG2-CB 3.84Å; I492-L505 PolarHBondContact N-O 3.14Å; I492-L505 PolarHBondContact O-N 2.85Å
493	Q	97.8	Very high	89.5	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.2	171.8	-63.9	163.2	-10.5	0	0	108.6	A475 N476 W502 Y503 E504 I518	A475-Q493 CarbonylContact C-O 3.45Å; A475-Q493 WeakPolarHBondContact CA-O 3.41Å; N476-Q493 HydrophobicContact CB-CB 4.27Å; N476-Q493 PolarHBondContact N-O 2.73Å; N476-Q493 PolarHBondContact ND2-OE1 3.27Å; N476-Q493 PolarHBondContact O-N 3.23Å; Q493-W502 HydrophobicContact CB-CE3 4.45Å; Q493-Y503 CarbonylContact C-O 3.38Å; Q493-Y503 VanDerWaalsContact CA-O 3.28Å; Q493-Y503 WeakPolarHBondContact CA-O 3.42Å; Q493-E504 HydrophobicContact CG-CB 4.12Å; Q493-E504 HydrophobicContact CG-CG 4.13Å; Q493-E504 WeakPolarHBondContact CG-OE2 3.31Å; Q493-E504 PolarHBondContact NE2-OE2 3.19Å; Q493-I518 VanDerWaalsContact OE1-CG2 3.31Å
494	L	97.1	Very high	90.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.6	-173.2	-69.7	172.9	0	0	0	111.1	I198 H215 H219 A475 I492 W502 Y503 L505	I198-L494 HydrophobicContact CD1-CB 4.14Å; I198-L494 HydrophobicContact CD1-CD1 4.38Å; H215-L494 HydrophobicContact CB-CD1 4.1Å; H219-L494 HydrophobicContact CB-CD2 4.06Å; H219-L494 WeakPolarHBondContact CE1-CD1 3.45Å; A475-L494 HydrophobicContact CB-CD2 3.68Å; I492-L494 HydrophobicContact CD1-CD1 4.5Å; I492-L494 HydrophobicContact CD1-CD2 3.52Å; I492-L494 HydrophobicContact CD1-CG 3.99Å; I492-L494 HydrophobicContact CG1-CD2 3.9Å; I492-L494 HydrophobicContact CG1-CG 3.95Å; I492-L494 HydrophobicContact CG2-CD1 4.4Å; I492-L494 HydrophobicContact CG2-CG 4.41Å; L494-W502 WeakPolarHBondContact O-CA 3.41Å; L494-Y503 PolarHBondContact N-O 3.21Å; L494-Y503 PolarHBondContact O-N 3.45Å; L494-L505 HydrophobicContact CB-CD1 4.33Å; L494-L505 HydrophobicContact CD1-CD1 3.79Å; L494-L505 HydrophobicContact CD1-CD2 4.12Å; L494-L505 HydrophobicContact CG-CD1 4.25Å
495	S	95.3	Very high	91.5	Very high	18 Å²	18	33.8 Å²	33.8	13%	0.126	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.5	170.7	-165.6	0	0	0	0	110.5	I474 R497	I474-S495 PolarHBondContact O-N 3.48Å; S495-R497 PolarHBondContact O-N 2.92Å
496	H	94.2	Very high	92.7	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.023	18%	0.18	C	C	.	.			trans	-84.6	104.6	170.4	-178.3	-103.4	0	0	0	109.7	S182 Y195 I198 G498 T499 G500 K501 Y503	S182-H496 PolarHBondContact O-CE1 3.21Å; Y195-H496 AromaticContact CD1-CE1 3.61Å; Y195-H496 AromaticContact CD1-NE2 3.78Å; Y195-H496 AromaticContact CG-NE2 3.98Å; I198-H496 HydrophobicContact CD1-CB 4.34Å; I198-H496 HydrophobicContact CG1-CB 4.26Å; H496-G498 VanDerWaalsContact C-N 3.33Å; H496-G498 PolarHBondContact O-N 3.25Å; H496-T499 WeakPolarHBondContact ND1-CG2 3.33Å; H496-T499 PolarHBondContact ND1-N 3.32Å; H496-T499 PolarHBondContact ND1-OG1 3.07Å; H496-T499 PolarHBondContact O-N 2.75Å; H496-G500 WeakPolarHBondContact O-CA 3Å; H496-G500 PolarHBondContact O-N 3.44Å; H496-K501 PolarHBondContact N-O 3.04Å; H496-Y503 HydrophobicContact CB-CD2 3.98Å; H496-Y503 HydrophobicContact CB-CE2 3.76Å
497	R	90.1	Very high	93.4	Very high	93 Å²	93	30.7 Å²	30.7	35%	0.351	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-41.7	-173.1	-74.2	-176.4	179.1	-130.2	0	114.7	G180 Y423 S495 E529	G180-R497 VanDerWaalsContact O-CB 3.22Å; G180-R497 WeakPolarHBondContact O-CB 3.49Å; Y423-R497 PolarHBondContact OH-NH2 3.22Å; S495-R497 PolarHBondContact O-N 2.92Å; R497-E529 VanDerWaalsContact CZ-CD 3.45Å; R497-E529 IonicContact CZ-OE1 3.43Å; R497-E529 IonicContact CZ-OE2 3.57Å; R497-E529 IonicContact NE-OE2 2.74Å; R497-E529 VanDerWaalsContact NH1-CD 3.34Å; R497-E529 IonicContact NH1-OE1 3.5Å; R497-E529 PolarHBondContact NH1-OE1 2.82Å; R497-E529 IonicContact NH1-OE2 3.65Å; R497-E529 PolarHBondContact NH1-OE2 2.84Å; R497-E529 VanDerWaalsContact NH1-OE2 3.15Å; R497-E529 IonicContact NH2-OE1 3.93Å; R497-E529 PolarHBondContact NH2-OE1 3.23Å; R497-E529 IonicContact NH2-OE2 3.21Å; R497-E529 PolarHBondContact NH2-OE2 3.46Å
498	G	87.7	Confident	93.9	Very high	21 Å²	21	28.9 Å²	28.9	22%	0.216	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-40.1	-177.1	0	0	0	0	0	113.2	G180 T183 H496	G180-G498 PolarHBondContact O-N 3.35Å; T183-G498 WeakPolarHBondContact CG2-O 3.27Å; H496-G498 VanDerWaalsContact C-N 3.33Å; H496-G498 PolarHBondContact O-N 3.25Å
499	T	92.5	Very high	94	Very high	41 Å²	41	35.3 Å²	35.3	25%	0.252	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-17.1	-177.3	59	0	0	0	0	113.3	T183 Y195 H496 K501	T183-T499 HydrophobicContact CG2-CG2 4.24Å; Y195-T499 HydrophobicContact CE1-CG2 3.97Å; H496-T499 WeakPolarHBondContact ND1-CG2 3.33Å; H496-T499 PolarHBondContact ND1-N 3.32Å; H496-T499 PolarHBondContact ND1-OG1 3.07Å; H496-T499 PolarHBondContact O-N 2.75Å; T499-K501 PolarHBondContact O-N 3.09Å; T499-K501 WeakPolarHBondContact OG1-CB 3.38Å; T499-K501 PolarHBondContact OG1-N 2.87Å
500	G	91.7	Very high	94.1	Very high	28 Å²	28	35.2 Å²	35.2	29%	0.289	18%	0.181	S	C	.	.			trans	69	3.8	-170.5	0	0	0	0	0	114.3	H496	H496-G500 WeakPolarHBondContact O-CA 3Å; H496-G500 PolarHBondContact O-N 3.44Å
501	K	94.7	Very high	94.1	Very high	84 Å²	84	39.9 Å²	39.9	37%	0.365	20%	0.202	S	C	.	.			trans	-80.8	156.9	179.1	-66.6	179.6	163	-138.8	0	111.2	H496 T499 Y503 E512	H496-K501 PolarHBondContact N-O 3.04Å; T499-K501 PolarHBondContact O-N 3.09Å; T499-K501 WeakPolarHBondContact OG1-CB 3.38Å; T499-K501 PolarHBondContact OG1-N 2.87Å; K501-Y503 HydrophobicContact CB-CE2 3.87Å; K501-E512 WeakPolarHBondContact CD-OE1 3.49Å; K501-E512 VanDerWaalsContact CE-OE1 3.29Å; K501-E512 WeakPolarHBondContact CE-OE1 3.28Å; K501-E512 IonicContact NZ-OE1 3.95Å; K501-E512 PolarHBondContact NZ-OE1 3.14Å; K501-E512 IonicContact NZ-OE2 2.75Å; K501-E512 PolarHBondContact NZ-OE2 3.28Å
502	W	96.9	Very high	94.1	Very high	5 Å²	5	43.2 Å²	43.2	2%	0.019	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141.2	176.7	-74	81.8	0	0	0	110.9	I449 L473 Q493 L494 E512 I513 I518	I449-W502 HydrophobicContact CG2-CH2 4.28Å; I449-W502 HydrophobicContact CG2-CZ2 3.36Å; L473-W502 HydrophobicContact CB-CH2 4Å; L473-W502 HydrophobicContact CB-CZ2 4.35Å; L473-W502 HydrophobicContact CD2-CH2 3.81Å; L473-W502 HydrophobicContact CD2-CZ2 4.47Å; L473-W502 HydrophobicContact CD2-CZ3 4.4Å; L473-W502 HydrophobicContact CG-CH2 3.71Å; L473-W502 HydrophobicContact CG-CZ2 4.49Å; L473-W502 HydrophobicContact CG-CZ3 4.49Å; L473-W502 VanDerWaalsContact O-CH2 3.23Å; L473-W502 WeakPolarHBondContact O-CH2 3.37Å; L473-W502 VanDerWaalsContact O-CZ2 3.26Å; L473-W502 WeakPolarHBondContact O-CZ2 3.3Å; Q493-W502 HydrophobicContact CB-CE3 4.45Å; L494-W502 WeakPolarHBondContact O-CA 3.41Å; W502-E512 WeakPolarHBondContact O-CA 3.32Å; W502-I513 HydrophobicContact CB-CG2 3.71Å; W502-I513 WeakPolarHBondContact CB-O 3.24Å; W502-I513 PolarHBondContact O-N 2.8Å; W502-I518 HydrophobicContact CB-CD1 3.96Å; W502-I518 HydrophobicContact CD2-CD1 3.19Å; W502-I518 HydrophobicContact CE3-CD1 3.3Å; W502-I518 HydrophobicContact CG-CD1 3.51Å; W502-I518 HydrophobicContact CH2-CD1 4.35Å; W502-I518 HydrophobicContact CZ2-CD1 4.28Å; W502-I518 HydrophobicContact CZ3-CD1 3.9Å
503	Y	97.1	Very high	94	Very high	20 Å²	20	44.3 Å²	44.3	8%	0.078	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.3	178.6	-65.2	-86.6	0	0	0	109.4	Y195 I198 Q493 L494 H496 K501 V510 K511 E512	Y195-Y503 HydrophobicContact CD2-CE2 4.27Å; Y195-Y503 AromaticContact CD2-CZ 3.91Å; Y195-Y503 AromaticContact CE2-CZ 3.9Å; Y195-Y503 WeakPolarHBondContact CE2-OH 3.49Å; I198-Y503 HydrophobicContact CD1-CD2 4.17Å; I198-Y503 HydrophobicContact CG1-CD2 4.1Å; I198-Y503 HydrophobicContact CG2-CD1 4Å; I198-Y503 HydrophobicContact CG2-CD2 3.98Å; I198-Y503 HydrophobicContact CG2-CG 3.59Å; Q493-Y503 CarbonylContact C-O 3.38Å; Q493-Y503 VanDerWaalsContact CA-O 3.28Å; Q493-Y503 WeakPolarHBondContact CA-O 3.42Å; L494-Y503 PolarHBondContact N-O 3.21Å; L494-Y503 PolarHBondContact O-N 3.45Å; H496-Y503 HydrophobicContact CB-CD2 3.98Å; H496-Y503 HydrophobicContact CB-CE2 3.76Å; K501-Y503 HydrophobicContact CB-CE2 3.87Å; Y503-V510 HydrophobicContact CD1-CG1 4.19Å; Y503-K511 CarbonylContact C-O 3.56Å; Y503-K511 VanDerWaalsContact CA-O 3.29Å; Y503-K511 WeakPolarHBondContact CA-O 3.44Å; Y503-E512 HydrophobicContact CD1-CB 4.27Å; Y503-E512 HydrophobicContact CE1-CB 4.03Å; Y503-E512 HydrophobicContact CE1-CG 4.33Å
504	E	97.2	Very high	93.9	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.014	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125.1	168.3	-179.1	164	116.2	0	0	109.3	R491 I492 Q493 V510 K511 I513	R491-E504 WeakPolarHBondContact CD-OE1 3.23Å; R491-E504 IonicContact CZ-OE1 2.65Å; R491-E504 IonicContact CZ-OE2 3.68Å; R491-E504 IonicContact NE-OE1 3.34Å; R491-E504 IonicContact NH1-OE1 2.69Å; R491-E504 PolarHBondContact NH1-OE1 2.88Å; R491-E504 IonicContact NH1-OE2 3.93Å; R491-E504 PolarHBondContact NH1-OE2 3.04Å; I492-E504 CarbonylContact O-C 3.49Å; I492-E504 WeakPolarHBondContact O-CA 3.44Å; Q493-E504 HydrophobicContact CG-CB 4.12Å; Q493-E504 HydrophobicContact CG-CG 4.13Å; Q493-E504 WeakPolarHBondContact CG-OE2 3.31Å; Q493-E504 PolarHBondContact NE2-OE2 3.19Å; E504-V510 WeakPolarHBondContact O-CA 3.42Å; E504-K511 HydrophobicContact CB-CG 3.85Å; E504-K511 HydrophobicContact CG-CG 4.5Å; E504-K511 PolarHBondContact N-O 3.34Å; E504-K511 PolarHBondContact O-N 3.36Å; E504-K511 WeakPolarHBondContact OE1-CE 3.02Å; E504-K511 IonicContact OE1-NZ 3.02Å; E504-K511 PolarHBondContact OE1-NZ 2.82Å; E504-I513 HydrophobicContact CB-CB 4.39Å; E504-I513 HydrophobicContact CB-CG2 4.26Å; E504-I513 WeakPolarHBondContact OE2-CD1 3.27Å
505	L	95.9	Very high	93.7	Very high	2 Å²	2	52 Å²	52	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.5	178.1	-64.4	75.2	0	0	0	108.1	I198 V199 I492 L494 H509 V510	I198-L505 HydrophobicContact CG2-CD1 4.3Å; V199-L505 WeakPolarHBondContact O-CD2 3.43Å; I492-L505 HydrophobicContact CG2-CB 3.84Å; I492-L505 PolarHBondContact N-O 3.14Å; I492-L505 PolarHBondContact O-N 2.85Å; L494-L505 HydrophobicContact CB-CD1 4.33Å; L494-L505 HydrophobicContact CD1-CD1 3.79Å; L494-L505 HydrophobicContact CD1-CD2 4.12Å; L494-L505 HydrophobicContact CG-CD1 4.25Å; L505-H509 WeakPolarHBondContact CA-O 3.33Å; L505-V510 HydrophobicContact CD2-CG2 4.46Å; L505-V510 HydrophobicContact CG-CG1 4.43Å; L505-V510 HydrophobicContact CG-CG2 4.17Å
506	E	92.6	Very high	93.6	Very high	71 Å²	71	57.4 Å²	57.4	33%	0.332	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	84.9	170.5	-172.3	175.2	-173.9	0	0	106.4	R491 L508 H509	R491-E506 HydrophobicContact CB-CB 4.18Å; R491-E506 HydrophobicContact CB-CG 4.34Å; E506-L508 PolarHBondContact O-N 3.48Å; E506-H509 PolarHBondContact N-O 3.36Å; E506-H509 PolarHBondContact O-N 3.18Å
507	D	87.6	Confident	93.5	Very high	17 Å²	17	61.7 Å²	61.7	9%	0.091	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	-98.5	-174.2	-56.2	-64.9	0	0	0	113.8	G200 L201 I203 N211	G200-D507 CarbonylContact C-O 3.57Å; G200-D507 WeakPolarHBondContact CA-O 3.3Å; L201-D507 PolarHBondContact N-O 3.42Å; L201-D507 CarbonylContact O-C 3.54Å; L201-D507 VanDerWaalsContact O-C 3.23Å; L201-D507 WeakPolarHBondContact O-CA 3.44Å; I203-D507 HydrophobicContact CD1-CB 3.55Å; I203-D507 WeakPolarHBondContact CD1-OD2 3.46Å; I203-D507 HydrophobicContact CG1-CB 3.23Å; I203-D507 WeakPolarHBondContact CG1-OD2 3.24Å; N211-D507 PolarHBondContact ND2-OD1 2.87Å
508	L	91.8	Very high	93.8	Very high	86 Å²	86	57.2 Å²	57.2	45%	0.45	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-20.7	178.2	-68.6	-179.6	0	0	0	113.4	N202 H267 E506	N202-L508 WeakPolarHBondContact OD1-CD2 3.13Å; H267-L508 HydrophobicContact CB-CD2 3.64Å; E506-L508 PolarHBondContact O-N 3.48Å
509	H	92.4	Very high	94	Very high	141 Å²	141	57.7 Å²	57.7	65%	0.653	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	118	-175.3	-59.8	95	0	0	0	109.8	L505 E506	L505-H509 WeakPolarHBondContact CA-O 3.33Å; E506-H509 PolarHBondContact N-O 3.36Å; E506-H509 PolarHBondContact O-N 3.18Å
510	V	94.6	Very high	94	Very high	60 Å²	60	60.3 Å²	60.3	36%	0.364	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	121.5	176	-177.8	0	0	0	0	108.1	I198 Y503 E504 L505	I198-V510 HydrophobicContact CG2-CG1 3.57Å; Y503-V510 HydrophobicContact CD1-CG1 4.19Å; E504-V510 WeakPolarHBondContact O-CA 3.42Å; L505-V510 HydrophobicContact CD2-CG2 4.46Å; L505-V510 HydrophobicContact CG-CG1 4.43Å; L505-V510 HydrophobicContact CG-CG2 4.17Å
511	K	95.3	Very high	94.1	Very high	106 Å²	106	59.6 Å²	59.6	46%	0.461	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	141.9	177.2	66.7	-171.6	-179	-160.9	0	111.3	Y503 E504	Y503-K511 CarbonylContact C-O 3.56Å; Y503-K511 VanDerWaalsContact CA-O 3.29Å; Y503-K511 WeakPolarHBondContact CA-O 3.44Å; E504-K511 HydrophobicContact CB-CG 3.85Å; E504-K511 HydrophobicContact CG-CG 4.5Å; E504-K511 PolarHBondContact N-O 3.34Å; E504-K511 PolarHBondContact O-N 3.36Å; E504-K511 WeakPolarHBondContact OE1-CE 3.02Å; E504-K511 IonicContact OE1-NZ 3.02Å; E504-K511 PolarHBondContact OE1-NZ 2.82Å
512	E	96.4	Very high	94.1	Very high	106 Å²	106	57.3 Å²	57.3	50%	0.495	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	134.8	171	-171.9	171.7	161.6	0	0	109.2	K501 W502 Y503	K501-E512 WeakPolarHBondContact CD-OE1 3.49Å; K501-E512 VanDerWaalsContact CE-OE1 3.29Å; K501-E512 WeakPolarHBondContact CE-OE1 3.28Å; K501-E512 IonicContact NZ-OE1 3.95Å; K501-E512 PolarHBondContact NZ-OE1 3.14Å; K501-E512 IonicContact NZ-OE2 2.75Å; K501-E512 PolarHBondContact NZ-OE2 3.28Å; W502-E512 WeakPolarHBondContact O-CA 3.32Å; Y503-E512 HydrophobicContact CD1-CB 4.27Å; Y503-E512 HydrophobicContact CE1-CB 4.03Å; Y503-E512 HydrophobicContact CE1-CG 4.33Å
513	I	96.3	Very high	94	Very high	24 Å²	24	57 Å²	57	12%	0.123	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142	178.6	-170.6	169	0	0	0	109.9	W502 E504 M517 I518	W502-I513 HydrophobicContact CB-CG2 3.71Å; W502-I513 WeakPolarHBondContact CB-O 3.24Å; W502-I513 PolarHBondContact O-N 2.8Å; E504-I513 HydrophobicContact CB-CB 4.39Å; E504-I513 HydrophobicContact CB-CG2 4.26Å; E504-I513 WeakPolarHBondContact OE2-CD1 3.27Å; I513-M517 HydrophobicContact CD1-CB 3.93Å; I513-M517 HydrophobicContact CG1-CB 3.85Å; I513-I518 HydrophobicContact CG2-CG1 4.46Å
514	L	95.4	Very high	94	Very high	113 Å²	113	56.1 Å²	56.1	59%	0.592	28%	0.282	S	S	*	.			trans	-71.9	139.8	174.7	-67.5	174.7	0	0	0	110.3	Q516 M517	L514-Q516 PolarHBondContact O-N 3.13Å; L514-M517 HydrophobicContact CB-CG 4.14Å; L514-M517 WeakPolarHBondContact O-CB 3.12Å; L514-M517 PolarHBondContact O-N 2.97Å
515	P	93.2	Very high	94	Very high	48 Å²	48	56.1 Å²	56.1	31%	0.312	28%	0.281	S	S	.	.	H	α-helix	trans	-50.1	-45.2	178.2	-26.8	33	0	0	0	112.5	I449 M517 I518	I449-P515 HydrophobicContact CD1-CB 3.59Å; I449-P515 WeakPolarHBondContact CD1-O 3.24Å; P515-M517 PolarHBondContact O-N 2.65Å; P515-I518 VanDerWaalsContact O-CB 3.27Å; P515-I518 WeakPolarHBondContact O-CB 3.45Å; P515-I518 WeakPolarHBondContact O-CG1 3.46Å; P515-I518 PolarHBondContact O-N 3.07Å
516	Q	91.5	Very high	94.1	Very high	132 Å²	132	56 Å²	56	62%	0.617	28%	0.281	S	S	*	.	H	α-helix	trans	-59.6	-22.4	-177.6	-60.2	83.6	-6.4	0	0	113.9	L514 T519	L514-Q516 PolarHBondContact O-N 3.13Å; Q516-T519 PolarHBondContact O-OG1 2.89Å
517	M	93.8	Very high	94.4	Very high	94 Å²	94	52.8 Å²	52.8	46%	0.463	27%	0.266	S	S	.	.	H	α-helix	trans	-81.8	-20.2	179.5	-62.6	-62	-63.4	0	0	112.9	I513 L514 P515 T519 L520	I513-M517 HydrophobicContact CD1-CB 3.93Å; I513-M517 HydrophobicContact CG1-CB 3.85Å; L514-M517 HydrophobicContact CB-CG 4.14Å; L514-M517 WeakPolarHBondContact O-CB 3.12Å; L514-M517 PolarHBondContact O-N 2.97Å; P515-M517 PolarHBondContact O-N 2.65Å; M517-T519 VanDerWaalsContact C-N 3.32Å; M517-T519 PolarHBondContact O-N 2.91Å; M517-L520 HydrophobicContact CE-CD1 4.06Å; M517-L520 PolarHBondContact O-N 3.4Å; M517-L520 HydrophobicContact SD-CD1 3.86Å
518	I	94.6	Very high	94.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-42	-178.2	-64.1	175.9	0	0	0	110.4	F447 I449 L473 N476 Q493 W502 I513 P515 L520 T521	F447-I518 HydrophobicContact CE2-CG2 3.92Å; F447-I518 HydrophobicContact CZ-CG2 4.07Å; I449-I518 HydrophobicContact CD1-CB 4.22Å; I449-I518 HydrophobicContact CD1-CD1 4.2Å; L473-I518 HydrophobicContact CD2-CG2 4.01Å; N476-I518 HydrophobicContact CB-CG2 4.3Å; Q493-I518 VanDerWaalsContact OE1-CG2 3.31Å; W502-I518 HydrophobicContact CB-CD1 3.96Å; W502-I518 HydrophobicContact CD2-CD1 3.19Å; W502-I518 HydrophobicContact CE3-CD1 3.3Å; W502-I518 HydrophobicContact CG-CD1 3.51Å; W502-I518 HydrophobicContact CH2-CD1 4.35Å; W502-I518 HydrophobicContact CZ2-CD1 4.28Å; W502-I518 HydrophobicContact CZ3-CD1 3.9Å; I513-I518 HydrophobicContact CG2-CG1 4.46Å; P515-I518 VanDerWaalsContact O-CB 3.27Å; P515-I518 WeakPolarHBondContact O-CB 3.45Å; P515-I518 WeakPolarHBondContact O-CG1 3.46Å; P515-I518 PolarHBondContact O-N 3.07Å; I518-L520 PolarHBondContact O-N 2.86Å; I518-T521 PolarHBondContact O-N 3.34Å; I518-T521 PolarHBondContact O-OG1 3.48Å
519	T	92.8	Very high	95.1	Very high	30 Å²	30	49.9 Å²	49.9	18%	0.184	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-16.5	-177.4	63.7	0	0	0	0	113.2	I444 F447 I449 Q516 M517 T521	I444-T519 WeakPolarHBondContact CG2-O 3.24Å; F447-T519 HydrophobicContact CD2-CG2 4.1Å; F447-T519 HydrophobicContact CE2-CG2 3.94Å; F447-T519 HydrophobicContact CZ-CG2 4.32Å; F447-T519 WeakPolarHBondContact O-CG2 3.29Å; I449-T519 HydrophobicContact CD1-CG2 4.31Å; I449-T519 HydrophobicContact CG1-CG2 4.23Å; Q516-T519 PolarHBondContact O-OG1 2.89Å; M517-T519 VanDerWaalsContact C-N 3.32Å; M517-T519 PolarHBondContact O-N 2.91Å; T519-T521 VanDerWaalsContact C-N 3.29Å
520	L	92.5	Very high	95.3	Very high	96 Å²	96	43.9 Å²	43.9	50%	0.503	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.1	178.6	-56.5	179.3	0	0	0	113.2	I444 M517 I518	I444-L520 WeakPolarHBondContact CD1-O 3.47Å; M517-L520 HydrophobicContact CE-CD1 4.06Å; M517-L520 PolarHBondContact O-N 3.4Å; M517-L520 HydrophobicContact SD-CD1 3.86Å; I518-L520 PolarHBondContact O-N 2.86Å
521	T	93.5	Very high	95.2	Very high	13 Å²	13	41.5 Å²	41.5	8%	0.08	21%	0.208	C	C	.	.	S	Bend	trans	-94.7	157.5	-176.2	63.8	0	0	0	0	113.1	N476 V478 I518 T519 C523	N476-T521 PolarHBondContact ND2-OG1 2.82Å; V478-T521 HydrophobicContact CG2-CG2 4.43Å; V478-T521 WeakPolarHBondContact CG2-OG1 3.46Å; I518-T521 PolarHBondContact O-N 3.34Å; I518-T521 PolarHBondContact O-OG1 3.48Å; T519-T521 VanDerWaalsContact C-N 3.29Å; T521-C523 PolarHBondContact O-N 3.34Å
522	E	94	Very high	94.8	Very high	36 Å²	36	41.6 Å²	41.6	17%	0.168	21%	0.209	C	C	.	.			trans	-74.5	64.3	173.4	-64.9	179.7	132.6	0	0	110.9	R430 K440 P442 I444 Y524	R430-E522 PolarHBondContact NE-O 3.35Å; K440-E522 WeakPolarHBondContact CE-OE2 3.46Å; K440-E522 IonicContact NZ-OE1 2.73Å; K440-E522 IonicContact NZ-OE2 2.94Å; K440-E522 PolarHBondContact NZ-OE2 3.22Å; P442-E522 WeakPolarHBondContact CA-OE1 3.49Å; P442-E522 WeakPolarHBondContact CB-OE1 3.3Å; I444-E522 HydrophobicContact CD1-CG 3.75Å; E522-Y524 PolarHBondContact O-N 3.36Å
523	C	95.3	Very high	94.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.8	130.3	178.2	52.1	0	0	0	0	111.9	I428 R430 F447 N476 T521	I428-C523 HydrophobicContact CD1-CB 4.1Å; I428-C523 WeakPolarHBondContact CD1-SG 3.19Å; R430-C523 VanDerWaalsContact CZ-O 3.22Å; R430-C523 PolarHBondContact NE-O 2.94Å; R430-C523 PolarHBondContact NH2-O 2.96Å; F447-C523 HydrophobicContact CE1-CB 4.06Å; F447-C523 HydrophobicContact CZ-CB 4.38Å; N476-C523 WeakPolarHBondContact OD1-CB 3.5Å; T521-C523 PolarHBondContact O-N 3.34Å
524	Y	96.8	Very high	93.7	Very high	1 Å²	1	46 Å²	46	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	-53.5	-173.2	-171.7	-125.3	0	0	0	111.5	D292 A293 I294 F427 I428 R430 F431 I477 H479 Y490 E522	D292-Y524 VanDerWaalsContact OD1-CE1 3.23Å; D292-Y524 WeakPolarHBondContact OD1-CE1 2.99Å; D292-Y524 VanDerWaalsContact OD1-CZ 3.24Å; D292-Y524 PolarHBondContact OD1-OH 3.19Å; D292-Y524 PolarHBondContact OD2-OH 3.13Å; A293-Y524 HydrophobicContact CB-CD1 4.4Å; A293-Y524 HydrophobicContact CB-CE1 4.15Å; I294-Y524 HydrophobicContact CB-CE1 4.43Å; I294-Y524 WeakPolarHBondContact CG2-OH 3.12Å; F427-Y524 HydrophobicContact CD2-CE2 4.4Å; F427-Y524 HydrophobicContact CE2-CD2 4.15Å; F427-Y524 HydrophobicContact CE2-CE1 4.23Å; F427-Y524 AromaticContact CE2-CE2 3.47Å; F427-Y524 HydrophobicContact CE2-CE2 3.47Å; F427-Y524 VanDerWaalsContact CE2-CE2 3.47Å; F427-Y524 AromaticContact CE2-CZ 3.5Å; F427-Y524 VanDerWaalsContact CE2-CZ 3.5Å; F427-Y524 WeakPolarHBondContact CE2-OH 3.35Å; F427-Y524 HydrophobicContact CZ-CE2 4.23Å; I428-Y524 PolarHBondContact N-O 3.17Å; R430-Y524 HydrophobicContact CB-CD2 4.29Å; R430-Y524 HydrophobicContact CB-CE2 4.34Å; R430-Y524 HydrophobicContact CG-CD2 4.19Å; F431-Y524 AromaticContact CD2-CE2 3.71Å; F431-Y524 HydrophobicContact CD2-CE2 3.71Å; F431-Y524 AromaticContact CD2-CZ 3.83Å; F431-Y524 WeakPolarHBondContact CD2-OH 3.33Å; F431-Y524 HydrophobicContact CE2-CD2 4.26Å; F431-Y524 HydrophobicContact CE2-CE1 4.37Å; F431-Y524 AromaticContact CE2-CE2 3.49Å; F431-Y524 HydrophobicContact CE2-CE2 3.49Å; F431-Y524 VanDerWaalsContact CE2-CE2 3.49Å; F431-Y524 AromaticContact CE2-CZ 3.57Å; I477-Y524 WeakPolarHBondContact O-CA 3.47Å; I477-Y524 WeakPolarHBondContact O-CB 3.31Å; I477-Y524 PolarHBondContact O-N 2.87Å; H479-Y524 HydrophobicContact CB-CG 4.45Å; Y490-Y524 AromaticContact CE1-CD1 3.75Å; Y490-Y524 HydrophobicContact CE1-CD1 3.75Å; Y490-Y524 AromaticContact CE1-CE1 3.9Å; Y490-Y524 HydrophobicContact CE1-CE1 3.9Å; E522-Y524 PolarHBondContact O-N 3.36Å
525	I	98.1	Very high	93.2	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.2	175.8	-58.4	166.9	0	0	0	108.2	A293 I294 L297 I425 I426 F427 I477	A293-I525 HydrophobicContact CB-CD1 4.09Å; I294-I525 HydrophobicContact CB-CD1 4.17Å; I294-I525 HydrophobicContact CD1-CD1 4.12Å; I294-I525 HydrophobicContact CD1-CG1 4.36Å; L297-I525 HydrophobicContact CD2-CD1 4.17Å; L297-I525 HydrophobicContact CD2-CG2 3.89Å; I425-I525 HydrophobicContact CG2-CG2 3.94Å; I426-I525 CarbonylContact O-C 3.51Å; I426-I525 WeakPolarHBondContact O-CA 3.29Å; F427-I525 HydrophobicContact CD2-CG1 4.04Å; I477-I525 HydrophobicContact CB-CB 4.09Å; I477-I525 HydrophobicContact CD1-CB 4.09Å; I477-I525 HydrophobicContact CD1-CD1 4.32Å; I477-I525 HydrophobicContact CD1-CG2 4.36Å; I477-I525 HydrophobicContact CG1-CB 4.41Å; I477-I525 PolarHBondContact N-O 3.04Å; I477-I525 PolarHBondContact O-N 3.15Å
526	Q	98	Very high	92.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144	177.3	-66.7	177.3	-27	0	0	110.4	I425 I426 L473 A475 N476 W528	I425-Q526 CarbonylContact C-O 3.5Å; I425-Q526 WeakPolarHBondContact CA-O 3.49Å; I426-Q526 HydrophobicContact CB-CB 4.33Å; I426-Q526 PolarHBondContact N-O 2.72Å; I426-Q526 PolarHBondContact O-N 2.73Å; L473-Q526 HydrophobicContact CD1-CB 3.77Å; L473-Q526 HydrophobicContact CD1-CG 3.97Å; A475-Q526 CarbonylContact O-C 3.23Å; A475-Q526 WeakPolarHBondContact O-CA 3.16Å; N476-Q526 WeakPolarHBondContact OD1-CG 3.27Å; N476-Q526 PolarHBondContact OD1-NE2 3.39Å; Q526-W528 VanDerWaalsContact CB-NE1 3.32Å; Q526-W528 VanDerWaalsContact OE1-CZ2 3.3Å
527	I	98.2	Very high	92.3	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.9	168.4	-50.2	-174	0	0	0	108.2	A216 L217 V220 F323 Y423 I425 I474 A475	A216-I527 HydrophobicContact CB-CD1 3.68Å; A216-I527 HydrophobicContact CB-CG1 4.47Å; L217-I527 HydrophobicContact CD2-CD1 4.48Å; V220-I527 HydrophobicContact CG2-CD1 4.13Å; V220-I527 HydrophobicContact CG2-CG2 4.01Å; F323-I527 HydrophobicContact CE1-CG2 4.49Å; Y423-I527 HydrophobicContact CD1-CG2 4.32Å; I425-I527 HydrophobicContact CG1-CG1 4.32Å; I474-I527 HydrophobicContact CD1-CB 4.24Å; I474-I527 HydrophobicContact CD1-CG2 3.75Å; I474-I527 HydrophobicContact CG1-CB 3.96Å; I474-I527 HydrophobicContact CG1-CG2 3.89Å; I474-I527 WeakPolarHBondContact CG1-O 3.14Å; I474-I527 PolarHBondContact N-O 3.42Å; A475-I527 HydrophobicContact CB-CB 4.17Å; A475-I527 HydrophobicContact CB-CG1 4.34Å; A475-I527 PolarHBondContact N-O 3.26Å; A475-I527 PolarHBondContact O-N 3.24Å
528	W	97.9	Very high	91.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138.5	-178.4	-61.1	82.8	0	0	0	109.8	L389 Y423 L424 F447 P448 V452 Y471 D472 L473 Q526	L389-W528 HydrophobicContact CD2-CH2 4.31Å; L389-W528 HydrophobicContact CD2-CZ2 4Å; Y423-W528 CarbonylContact C-O 3.54Å; Y423-W528 VanDerWaalsContact CA-O 3.23Å; Y423-W528 WeakPolarHBondContact CA-O 3.29Å; L424-W528 HydrophobicContact CB-CB 4.29Å; L424-W528 PolarHBondContact N-O 3.02Å; L424-W528 PolarHBondContact O-N 2.67Å; F447-W528 HydrophobicContact CB-CH2 4.35Å; F447-W528 HydrophobicContact CD2-CH2 4.11Å; F447-W528 HydrophobicContact CD2-CZ2 4.31Å; P448-W528 WeakPolarHBondContact O-CH2 3.24Å; P448-W528 WeakPolarHBondContact O-CZ3 3.4Å; V452-W528 HydrophobicContact CB-CE3 4.41Å; V452-W528 HydrophobicContact CB-CZ3 4.08Å; V452-W528 HydrophobicContact CG2-CE3 4.14Å; V452-W528 HydrophobicContact CG2-CH2 3.59Å; V452-W528 HydrophobicContact CG2-CZ2 4.5Å; V452-W528 HydrophobicContact CG2-CZ3 3.36Å; Y471-W528 HydrophobicContact CD1-CB 3.72Å; Y471-W528 HydrophobicContact CG-CB 4.26Å; D472-W528 CarbonylContact O-C 3.54Å; D472-W528 VanDerWaalsContact O-CA 3.31Å; D472-W528 WeakPolarHBondContact O-CA 3.12Å; L473-W528 HydrophobicContact CB-CD2 4.25Å; L473-W528 HydrophobicContact CB-CE3 3.82Å; L473-W528 HydrophobicContact CB-CH2 3.93Å; L473-W528 HydrophobicContact CB-CZ2 4.38Å; L473-W528 HydrophobicContact CB-CZ3 3.64Å; L473-W528 HydrophobicContact CD1-CD2 3.89Å; L473-W528 HydrophobicContact CD1-CE3 4.32Å; L473-W528 HydrophobicContact CD1-CG 4.39Å; L473-W528 HydrophobicContact CD1-CH2 4.12Å; L473-W528 HydrophobicContact CD1-CZ2 3.69Å; L473-W528 HydrophobicContact CD1-CZ3 4.42Å; L473-W528 HydrophobicContact CG-CH2 4.45Å; L473-W528 HydrophobicContact CG-CZ2 4.48Å; L473-W528 VanDerWaalsContact N-CE3 3.29Å; Q526-W528 VanDerWaalsContact CB-NE1 3.32Å; Q526-W528 VanDerWaalsContact OE1-CZ2 3.3Å
529	E	96.8	Very high	91.3	Very high	41 Å²	41	45.2 Å²	45.2	19%	0.192	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.8	175.4	172.6	176.5	-145.2	0	0	110.5	Y423 Y471 D472 I474 R497	Y423-E529 HydrophobicContact CD1-CB 4.18Å; Y423-E529 HydrophobicContact CE1-CB 3.81Å; Y423-E529 HydrophobicContact CE1-CG 3.94Å; Y423-E529 PolarHBondContact OH-OE1 3.38Å; Y471-E529 CarbonylContact C-O 3.53Å; Y471-E529 VanDerWaalsContact CA-O 3.22Å; Y471-E529 WeakPolarHBondContact CA-O 3.14Å; Y471-E529 WeakPolarHBondContact CD1-O 3.32Å; D472-E529 PolarHBondContact N-O 3.05Å; D472-E529 PolarHBondContact O-N 3.28Å; I474-E529 HydrophobicContact CG2-CB 3.83Å; R497-E529 VanDerWaalsContact CZ-CD 3.45Å; R497-E529 IonicContact CZ-OE1 3.43Å; R497-E529 IonicContact CZ-OE2 3.57Å; R497-E529 IonicContact NE-OE2 2.74Å; R497-E529 VanDerWaalsContact NH1-CD 3.34Å; R497-E529 IonicContact NH1-OE1 3.5Å; R497-E529 PolarHBondContact NH1-OE1 2.82Å; R497-E529 IonicContact NH1-OE2 3.65Å; R497-E529 PolarHBondContact NH1-OE2 2.84Å; R497-E529 VanDerWaalsContact NH1-OE2 3.15Å; R497-E529 IonicContact NH2-OE1 3.93Å; R497-E529 PolarHBondContact NH2-OE1 3.23Å; R497-E529 IonicContact NH2-OE2 3.21Å; R497-E529 PolarHBondContact NH2-OE2 3.46Å
530	L	95.7	Very high	90.7	Very high	14 Å²	14	47.1 Å²	47.1	7%	0.073	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.8	171.6	-178.6	64.2	0	0	0	109.9	P422 F468 Y471 H532	P422-L530 WeakPolarHBondContact O-CB 3.14Å; P422-L530 PolarHBondContact O-N 2.87Å; F468-L530 HydrophobicContact CB-CD1 4.27Å; F468-L530 HydrophobicContact CB-CG 4.43Å; Y471-L530 HydrophobicContact CD1-CB 4.23Å; Y471-L530 HydrophobicContact CD2-CD1 4.09Å; Y471-L530 HydrophobicContact CE1-CB 3.69Å; Y471-L530 HydrophobicContact CE1-CD1 4.34Å; Y471-L530 HydrophobicContact CE2-CB 4.49Å; Y471-L530 HydrophobicContact CE2-CD1 3.59Å; L530-H532 PolarHBondContact O-CD2 2.8Å; L530-H532 PolarHBondContact O-N 3.32Å
531	N	92.5	Very high	90.2	Very high	11 Å²	11	49.1 Å²	49.1	6%	0.059	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-77.1	117.8	174.6	178.8	29.5	0	0	0	111.7	F468 T470 E533 K534 R539	F468-N531 WeakPolarHBondContact CB-O 3.19Å; F468-N531 VanDerWaalsContact CD1-O 3.26Å; F468-N531 WeakPolarHBondContact CD1-O 3.26Å; T470-N531 PolarHBondContact O-N 3.48Å; N531-E533 WeakPolarHBondContact OD1-CB 3.37Å; N531-E533 PolarHBondContact OD1-N 2.85Å; N531-K534 WeakPolarHBondContact ND2-CB 3.34Å; N531-K534 PolarHBondContact ND2-N 2.7Å; N531-K534 VanDerWaalsContact ND2-N 3.15Å; N531-K534 PolarHBondContact ND2-O 3.08Å; N531-K534 VanDerWaalsContact ND2-O 3.13Å; N531-R539 PolarHBondContact ND2-NE 2.75Å; N531-R539 PolarHBondContact ND2-NH2 3.43Å
532	H	87.7	Confident	89.5	Confident	107 Å²	107	51.8 Å²	51.8	50%	0.495	24%	0.238	S	C	.	.			trans	-97.7	-5.5	174.7	-68.5	-71.8	0	0	0	114.2	F468 L530	F468-H532 VanDerWaalsContact CE1-O 3.3Å; F468-H532 WeakPolarHBondContact CE1-O 3.36Å; F468-H532 WeakPolarHBondContact CZ-O 3.47Å; L530-H532 PolarHBondContact O-CD2 2.8Å; L530-H532 PolarHBondContact O-N 3.32Å
533	E	85.3	Confident	88.4	Confident	154 Å²	154	53.2 Å²	53.2	72%	0.72	25%	0.245	S	C	*	.	S	Bend	trans	-88.5	-35.1	-174.2	-60.6	-175.3	168.5	0	0	113	N531	N531-E533 WeakPolarHBondContact OD1-CB 3.37Å; N531-E533 PolarHBondContact OD1-N 2.85Å
534	K	84.1	Confident	87.3	Confident	69 Å²	69	57.1 Å²	57.1	30%	0.3	27%	0.272	S	S	.	.	S	Bend	trans	-127.9	132.5	-175.3	-53.6	-176.2	-169.4	179.6	0	110.2	N531 Q538 R539 E542	N531-K534 WeakPolarHBondContact ND2-CB 3.34Å; N531-K534 PolarHBondContact ND2-N 2.7Å; N531-K534 VanDerWaalsContact ND2-N 3.15Å; N531-K534 PolarHBondContact ND2-O 3.08Å; N531-K534 VanDerWaalsContact ND2-O 3.13Å; K534-Q538 HydrophobicContact CB-CB 4.11Å; K534-R539 HydrophobicContact CB-CG 3.89Å; K534-R539 HydrophobicContact CD-CG 4.37Å; K534-E542 WeakPolarHBondContact CD-OE1 3.5Å; K534-E542 WeakPolarHBondContact CD-OE2 3.27Å; K534-E542 WeakPolarHBondContact CE-OE1 3.48Å; K534-E542 IonicContact NZ-OE1 2.81Å; K534-E542 PolarHBondContact NZ-OE1 2.79Å; K534-E542 IonicContact NZ-OE2 2.78Å; K534-E542 PolarHBondContact NZ-OE2 3.17Å
535	T	84.5	Confident	85.8	Confident	44 Å²	44	61.4 Å²	61.4	27%	0.27	30%	0.302	S	S	.	.			trans	-63.5	161.2	172.8	60.3	0	0	0	0	110.9	F468 E537 Q538 R539	F468-T535 HydrophobicContact CE1-CG2 4.32Å; T535-E537 VanDerWaalsContact C-N 3.28Å; T535-E537 PolarHBondContact O-N 2.8Å; T535-Q538 PolarHBondContact O-N 3.36Å; T535-Q538 VanDerWaalsContact O-N 3.16Å; T535-Q538 VanDerWaalsContact OG1-CD 3.28Å; T535-Q538 VanDerWaalsContact OG1-CG 3.3Å; T535-Q538 WeakPolarHBondContact OG1-CG 3.47Å; T535-Q538 PolarHBondContact OG1-N 3.33Å; T535-Q538 PolarHBondContact OG1-OE1 3.2Å; T535-R539 PolarHBondContact O-N 3.21Å; T535-R539 VanDerWaalsContact O-N 3.17Å
536	R	83.1	Confident	83.9	Confident	70 Å²	70	69.3 Å²	69.3	26%	0.264	34%	0.339	S	S	.	.	H	α-helix	trans	-48.5	-49.6	174.2	178.6	-179.7	-179.1	-87.2	-11.5	112	D453 Q538 R539 H540	D453-R536 IonicContact OD1-NE 3.17Å; D453-R536 IonicContact OD2-CZ 2.63Å; D453-R536 VanDerWaalsContact OD2-CZ 3.29Å; D453-R536 IonicContact OD2-NE 3Å; D453-R536 PolarHBondContact OD2-NE 2.99Å; D453-R536 IonicContact OD2-NH2 2.82Å; D453-R536 PolarHBondContact OD2-NH2 3.35Å; R536-Q538 PolarHBondContact O-N 3.2Å; R536-R539 PolarHBondContact O-N 3.41Å; R536-H540 PolarHBondContact O-CD2 3.46Å; R536-H540 PolarHBondContact O-N 2.62Å; R536-H540 VanDerWaalsContact O-N 3.08Å
537	E	82.7	Confident	81.4	Confident	134 Å²	134	79.5 Å²	79.5	63%	0.626	39%	0.387	S	S	*	.	H	α-helix	trans	-64.3	-37.2	-178.1	-63.4	-178.2	179.9	0	0	113.4	T535 R539 K541	T535-E537 VanDerWaalsContact C-N 3.28Å; T535-E537 PolarHBondContact O-N 2.8Å; E537-R539 VanDerWaalsContact C-N 3.35Å; E537-K541 WeakPolarHBondContact O-CG 3.45Å; E537-K541 PolarHBondContact O-N 2.92Å
538	Q	85.4	Confident	80.5	Confident	95 Å²	95	83.4 Å²	83.4	44%	0.444	41%	0.405	S	S	.	.	H	α-helix	trans	-65.1	-40.8	177.5	-75.5	166.3	-32.8	0	0	111.2	K534 T535 R536 K541 E542	K534-Q538 HydrophobicContact CB-CB 4.11Å; T535-Q538 PolarHBondContact O-N 3.36Å; T535-Q538 VanDerWaalsContact O-N 3.16Å; T535-Q538 VanDerWaalsContact OG1-CD 3.28Å; T535-Q538 VanDerWaalsContact OG1-CG 3.3Å; T535-Q538 WeakPolarHBondContact OG1-CG 3.47Å; T535-Q538 PolarHBondContact OG1-N 3.33Å; T535-Q538 PolarHBondContact OG1-OE1 3.2Å; R536-Q538 PolarHBondContact O-N 3.2Å; Q538-K541 PolarHBondContact O-N 3.1Å; Q538-E542 WeakPolarHBondContact O-CG 3.48Å; Q538-E542 PolarHBondContact O-N 2.77Å
539	R	83.2	Confident	79.6	Confident	27 Å²	27	87.6 Å²	87.6	10%	0.102	43%	0.426	C	S	.	.	H	α-helix	trans	-71.3	-38.9	178.5	-73.7	-150.7	170.6	178.2	-6.5	114	N451 D472 N531 K534 T535 R536 E537 K541 E542 E543	N451-R539 VanDerWaalsContact OD1-CB 3.24Å; N451-R539 WeakPolarHBondContact OD1-CB 3.43Å; N451-R539 WeakPolarHBondContact OD1-CD 3.48Å; D472-R539 VanDerWaalsContact CG-NH1 3.3Å; D472-R539 IonicContact OD1-CZ 3.29Å; D472-R539 IonicContact OD1-NH1 3.47Å; D472-R539 PolarHBondContact OD1-NH1 3.14Å; D472-R539 IonicContact OD1-NH2 2.67Å; D472-R539 IonicContact OD2-CZ 3.4Å; D472-R539 IonicContact OD2-NH1 2.71Å; D472-R539 PolarHBondContact OD2-NH1 3.1Å; D472-R539 IonicContact OD2-NH2 2.72Å; D472-R539 PolarHBondContact OD2-NH2 2.83Å; N531-R539 PolarHBondContact ND2-NE 2.75Å; N531-R539 PolarHBondContact ND2-NH2 3.43Å; K534-R539 HydrophobicContact CB-CG 3.89Å; K534-R539 HydrophobicContact CD-CG 4.37Å; T535-R539 PolarHBondContact O-N 3.21Å; T535-R539 VanDerWaalsContact O-N 3.17Å; R536-R539 PolarHBondContact O-N 3.41Å; E537-R539 VanDerWaalsContact C-N 3.35Å; R539-K541 PolarHBondContact O-N 2.92Å; R539-E542 PolarHBondContact O-N 3.26Å; R539-E542 VanDerWaalsContact O-N 3.12Å; R539-E543 PolarHBondContact O-N 3.4Å; R539-E543 VanDerWaalsContact O-N 3.16Å
540	H	80.2	Confident	78.7	Confident	71 Å²	71	90.2 Å²	90.2	33%	0.329	44%	0.439	S	S	.	.	H	α-helix	trans	-58.9	-36.9	173.8	-84.8	-71	0	0	0	111.8	D453 R536 S544	D453-H540 IonicContact OD2-CE1 3.86Å; D453-H540 IonicContact OD2-NE2 3.15Å; D453-H540 PolarHBondContact OD2-NE2 3.16Å; R536-H540 PolarHBondContact O-CD2 3.46Å; R536-H540 PolarHBondContact O-N 2.62Å; R536-H540 VanDerWaalsContact O-N 3.08Å; H540-S544 PolarHBondContact O-N 3.36Å; H540-S544 PolarHBondContact O-OG 3.41Å
541	K	81.1	Confident	77.7	Confident	138 Å²	138	94.7 Å²	94.7	60%	0.6	46%	0.461	S	S	*	.	H	α-helix	trans	-66	-38.3	175.3	-72.2	173.7	-176.9	176.5	0	112.7	E537 Q538 R539 S544 S545	E537-K541 WeakPolarHBondContact O-CG 3.45Å; E537-K541 PolarHBondContact O-N 2.92Å; Q538-K541 PolarHBondContact O-N 3.1Å; R539-K541 PolarHBondContact O-N 2.92Å; K541-S544 WeakPolarHBondContact CA-OG 3.36Å; K541-S544 PolarHBondContact O-N 2.96Å; K541-S544 PolarHBondContact O-OG 2.93Å; K541-S545 PolarHBondContact O-N 2.69Å; K541-S545 VanDerWaalsContact O-N 3.14Å; K541-S545 PolarHBondContact O-OG 3.48Å
542	E	79	Confident	76.7	Confident	69 Å²	69	99.9 Å²	99.9	32%	0.322	49%	0.486	S	S	.	.	H	α-helix	trans	-64.8	-45.8	179.3	-72.6	173.3	177.4	0	0	111.6	K534 Q538 R539 S544 S545 E546	K534-E542 WeakPolarHBondContact CD-OE1 3.5Å; K534-E542 WeakPolarHBondContact CD-OE2 3.27Å; K534-E542 WeakPolarHBondContact CE-OE1 3.48Å; K534-E542 IonicContact NZ-OE1 2.81Å; K534-E542 PolarHBondContact NZ-OE1 2.79Å; K534-E542 IonicContact NZ-OE2 2.78Å; K534-E542 PolarHBondContact NZ-OE2 3.17Å; Q538-E542 WeakPolarHBondContact O-CG 3.48Å; Q538-E542 PolarHBondContact O-N 2.77Å; R539-E542 PolarHBondContact O-N 3.26Å; R539-E542 VanDerWaalsContact O-N 3.12Å; E542-S544 VanDerWaalsContact C-N 3.28Å; E542-S544 PolarHBondContact O-N 3.44Å; E542-S545 WeakPolarHBondContact CA-OG 3.18Å; E542-S545 PolarHBondContact O-N 3.22Å; E542-S545 PolarHBondContact O-OG 3.12Å; E542-E546 PolarHBondContact O-N 2.58Å
543	E	71.8	Confident	76	Confident	65 Å²	65	99.5 Å²	99.5	30%	0.304	49%	0.485	S	S	.	.	H	α-helix	trans	-60.1	-39.3	175.5	-74.3	-175.3	165.5	0	0	112.4	N451 R539 S545 E546 Q547	N451-E543 WeakPolarHBondContact CB-OE1 3.45Å; N451-E543 PolarHBondContact ND2-OE1 3.27Å; N451-E543 PolarHBondContact ND2-OE2 3Å; R539-E543 PolarHBondContact O-N 3.4Å; R539-E543 VanDerWaalsContact O-N 3.16Å; E543-S545 PolarHBondContact O-N 3.33Å; E543-E546 PolarHBondContact O-N 3.2Å; E543-Q547 WeakPolarHBondContact O-CG 3.17Å; E543-Q547 PolarHBondContact O-N 3.07Å
544	S	70.4	Confident	75.3	Confident	83 Å²	83	95.6 Å²	95.6	58%	0.58	47%	0.469	S	S	*	.	H	α-helix	trans	-69.8	-16.7	176.3	66.8	0	0	0	0	114	H540 K541 E542	H540-S544 PolarHBondContact O-N 3.36Å; H540-S544 PolarHBondContact O-OG 3.41Å; K541-S544 WeakPolarHBondContact CA-OG 3.36Å; K541-S544 PolarHBondContact O-N 2.96Å; K541-S544 PolarHBondContact O-OG 2.93Å; E542-S544 VanDerWaalsContact C-N 3.28Å; E542-S544 PolarHBondContact O-N 3.44Å
545	S	66.8	Low	74.7	Confident	90 Å²	90	97.6 Å²	97.6	63%	0.629	48%	0.482	S	S	*	.	H	α-helix	trans	-96	-20.3	176.2	64.5	0	0	0	0	113.7	K541 E542 E543	K541-S545 PolarHBondContact O-N 2.69Å; K541-S545 VanDerWaalsContact O-N 3.14Å; K541-S545 PolarHBondContact O-OG 3.48Å; E542-S545 WeakPolarHBondContact CA-OG 3.18Å; E542-S545 PolarHBondContact O-N 3.22Å; E542-S545 PolarHBondContact O-OG 3.12Å; E543-S545 PolarHBondContact O-N 3.33Å
546	E	57.1	Low	73.8	Confident	168 Å²	168	102.1 Å²	102.1	79%	0.785	50%	0.499	S	S	*	.	H	α-helix	trans	-90.6	-17.6	177.3	-71.5	-177.2	171.4	0	0	113	E542 E543	E542-E546 PolarHBondContact O-N 2.58Å; E543-E546 PolarHBondContact O-N 3.2Å
547	Q	45.6	Very low	73	Confident	215 Å²	215	105 Å²	105	100%	1.005	52%	0.521	S	S	*	.			trans	-87.9	0	169.5	-68.4	177.6	18.7	0	0	111	E543	E543-Q547 WeakPolarHBondContact O-CG 3.17Å; E543-Q547 PolarHBondContact O-N 3.07Å

Retrieved 547 of 547 residues in 236.4 ms (Link to these results)

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