A0A5K4FC78_SCHMA Loading...

Sulfhydryl oxidase

FAD-dependent sulfhydryl oxidase that catalyzes disulfide bond formation.

AlphaFold DB , UniProt , Accession A0A5K4FC78, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 590 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	51.1	Low	60	Low	230 Å²	230	124 Å²	124	100%	1.133	66%	0.657	S	S	*	*				0	0.7	0	-78	171.4	69.3	0	0	114.6
2	I	53.2	Low	59.8	Low	141 Å²	141	126.1 Å²	126.1	72%	0.723	66%	0.656	S	S	*	*			trans	-82.4	-14.2	-176.6	-61.6	166.6	0	0	0	113.4	K4 P5	I2-K4 PolarHBondContact O-N 3.5Å; I2-P5 VanDerWaalsContact O-CD 3.32Å; I2-P5 WeakPolarHBondContact O-CD 3.35Å; I2-P5 WeakPolarHBondContact O-CG 3.45Å
3	L	54.8	Low	59.4	Low	154 Å²	154	121.7 Å²	121.7	81%	0.806	64%	0.638	S	S	*	*	H	α-helix	trans	-72.3	-30.6	-174.6	-126	81.2	0	0	0	114.9	M7	L3-M7 PolarHBondContact O-N 3.05Å
4	K	56.8	Low	59	Low	176 Å²	176	121 Å²	121	77%	0.765	63%	0.634	S	S	*	*	H	α-helix	trans	-68.5	-46.1	-177.8	-76.9	-171.2	175.7	-175.5	0	114.4	I2 V6 M7 L8	I2-K4 PolarHBondContact O-N 3.5Å; K4-V6 VanDerWaalsContact C-N 3.32Å; K4-V6 PolarHBondContact O-N 2.92Å; K4-M7 PolarHBondContact O-N 2.82Å; K4-L8 PolarHBondContact O-N 2.8Å
5	P	55.9	Low	58.3	Low	69 Å²	69	119.9 Å²	119.9	45%	0.448	63%	0.63	S	S	.	*	H	α-helix	trans	-66.4	-33.7	178.6	21.6	-31.1	0	0	0	112.6	I2 M7 L8 I9	I2-P5 VanDerWaalsContact O-CD 3.32Å; I2-P5 WeakPolarHBondContact O-CD 3.35Å; I2-P5 WeakPolarHBondContact O-CG 3.45Å; P5-M7 VanDerWaalsContact C-N 3.34Å; P5-M7 PolarHBondContact O-N 3.37Å; P5-L8 PolarHBondContact O-N 2.86Å; P5-I9 VanDerWaalsContact O-CG1 3.29Å; P5-I9 WeakPolarHBondContact O-CG1 3.39Å; P5-I9 PolarHBondContact O-N 3.33Å
6	V	66.4	Low	57.9	Low	90 Å²	90	119.9 Å²	119.9	55%	0.545	63%	0.628	S	S	.	*	H	α-helix	trans	-64	-39.7	176.7	179.5	0	0	0	0	111.2	K4 I9 A10	K4-V6 VanDerWaalsContact C-N 3.32Å; K4-V6 PolarHBondContact O-N 2.92Å; V6-I9 PolarHBondContact O-N 3.36Å; V6-A10 WeakPolarHBondContact O-CB 3.38Å; V6-A10 PolarHBondContact O-N 3.11Å
7	M	65.6	Low	57.2	Low	141 Å²	141	117.8 Å²	117.8	70%	0.695	61%	0.613	S	S	*	*	H	α-helix	trans	-70.3	-36	177.8	-131.9	-157.7	-172.6	0	0	112.6	L3 K4 P5 A10 V11	L3-M7 PolarHBondContact O-N 3.05Å; K4-M7 PolarHBondContact O-N 2.82Å; P5-M7 VanDerWaalsContact C-N 3.34Å; P5-M7 PolarHBondContact O-N 3.37Å; M7-A10 PolarHBondContact O-N 3.46Å; M7-V11 VanDerWaalsContact O-CG2 3.32Å; M7-V11 WeakPolarHBondContact O-CG2 3.27Å; M7-V11 PolarHBondContact O-N 3.42Å
8	L	63.4	Low	56.5	Low	127 Å²	127	118.6 Å²	118.6	67%	0.665	62%	0.618	S	S	*	*	H	α-helix	trans	-66.8	-40.9	175.5	-115.8	130.3	0	0	0	111.5	K4 P5 V11 F12	K4-L8 PolarHBondContact O-N 2.8Å; P5-L8 PolarHBondContact O-N 2.86Å; L8-V11 PolarHBondContact O-N 3.36Å; L8-F12 VanDerWaalsContact O-CB 3.32Å; L8-F12 WeakPolarHBondContact O-CB 3.38Å; L8-F12 PolarHBondContact O-N 2.7Å
9	I	66.4	Low	56	Low	109 Å²	109	124.6 Å²	124.6	56%	0.559	63%	0.631	S	S	*	*	H	α-helix	trans	-64	-44.2	172.2	-66.3	165.4	0	0	0	109.6	P5 V6 V11 F12 V13	P5-I9 VanDerWaalsContact O-CG1 3.29Å; P5-I9 WeakPolarHBondContact O-CG1 3.39Å; P5-I9 PolarHBondContact O-N 3.33Å; V6-I9 PolarHBondContact O-N 3.36Å; I9-V11 VanDerWaalsContact C-N 3.35Å; I9-V11 PolarHBondContact O-N 3.02Å; I9-F12 PolarHBondContact O-N 2.92Å; I9-V13 HydrophobicContact CG2-CG2 3.85Å; I9-V13 WeakPolarHBondContact O-CB 3.25Å; I9-V13 WeakPolarHBondContact O-CG2 3.47Å; I9-V13 PolarHBondContact O-N 3.38Å
10	A	62.1	Low	55.5	Low	52 Å²	52	123.8 Å²	123.8	43%	0.43	63%	0.633	S	S	.	*	H	α-helix	trans	-62	-39.4	178.5	0	0	0	0	0	112.6	V6 M7 L14	V6-A10 WeakPolarHBondContact O-CB 3.38Å; V6-A10 PolarHBondContact O-N 3.11Å; M7-A10 PolarHBondContact O-N 3.46Å; A10-L14 WeakPolarHBondContact O-CB 3.5Å; A10-L14 PolarHBondContact O-N 2.91Å
11	V	64.7	Low	55.5	Low	75 Å²	75	123 Å²	123	46%	0.455	63%	0.629	S	S	.	*	H	α-helix	trans	-71.6	-35.8	175.6	173.6	0	0	0	0	111.6	M7 L8 I9 L14 N15	M7-V11 VanDerWaalsContact O-CG2 3.32Å; M7-V11 WeakPolarHBondContact O-CG2 3.27Å; M7-V11 PolarHBondContact O-N 3.42Å; L8-V11 PolarHBondContact O-N 3.36Å; I9-V11 VanDerWaalsContact C-N 3.35Å; I9-V11 PolarHBondContact O-N 3.02Å; V11-L14 PolarHBondContact O-N 2.84Å; V11-N15 WeakPolarHBondContact CG1-ND2 3.29Å; V11-N15 WeakPolarHBondContact O-CB 3.47Å; V11-N15 PolarHBondContact O-N 3.23Å; V11-N15 PolarHBondContact O-ND2 3.33Å
12	F	57.3	Low	56	Low	149 Å²	149	117.8 Å²	117.8	65%	0.654	60%	0.601	S	S	*	*	H	α-helix	trans	-71.1	-42.4	177	-149.4	-91	0	0	0	111.5	L8 I9 N15 I16	L8-F12 VanDerWaalsContact O-CB 3.32Å; L8-F12 WeakPolarHBondContact O-CB 3.38Å; L8-F12 PolarHBondContact O-N 2.7Å; I9-F12 PolarHBondContact O-N 2.92Å; F12-N15 PolarHBondContact O-N 2.95Å; F12-I16 HydrophobicContact CD1-CD1 3.91Å; F12-I16 HydrophobicContact CE1-CD1 4.22Å; F12-I16 WeakPolarHBondContact O-CD1 3.33Å; F12-I16 VanDerWaalsContact O-CG1 3.27Å; F12-I16 WeakPolarHBondContact O-CG1 3.49Å; F12-I16 PolarHBondContact O-N 3.36Å; F12-I16 VanDerWaalsContact O-N 3.12Å
13	V	54.4	Low	57	Low	69 Å²	69	111.8 Å²	111.8	42%	0.418	57%	0.572	S	S	.	*	H	α-helix	trans	-55.8	-59.4	169	171	0	0	0	0	106.3	I9 N15 I16 F17	I9-V13 HydrophobicContact CG2-CG2 3.85Å; I9-V13 WeakPolarHBondContact O-CB 3.25Å; I9-V13 WeakPolarHBondContact O-CG2 3.47Å; I9-V13 PolarHBondContact O-N 3.38Å; V13-N15 VanDerWaalsContact C-N 3.33Å; V13-N15 PolarHBondContact O-N 3.44Å; V13-I16 WeakPolarHBondContact O-CA 3.32Å; V13-I16 WeakPolarHBondContact O-CB 3.42Å; V13-I16 PolarHBondContact O-N 3.15Å; V13-F17 VanDerWaalsContact C-CD2 3.42Å; V13-F17 HydrophobicContact CB-CE2 4.29Å; V13-F17 HydrophobicContact CG1-CE2 3.39Å; V13-F17 HydrophobicContact CG1-CZ 3.85Å; V13-F17 WeakPolarHBondContact O-CD2 3.43Å; V13-F17 WeakPolarHBondContact O-CE2 3.34Å
14	L	53.4	Low	58.5	Low	112 Å²	112	107.4 Å²	107.4	59%	0.586	55%	0.549	S	S	*	.	H	α-helix	trans	-56.3	-33.1	179.4	-160.6	74	0	0	0	115.1	A10 V11 F17	A10-L14 WeakPolarHBondContact O-CB 3.5Å; A10-L14 PolarHBondContact O-N 2.91Å; V11-L14 PolarHBondContact O-N 2.84Å; L14-F17 WeakPolarHBondContact O-CB 3.19Å; L14-F17 PolarHBondContact O-N 3.42Å
15	N	49.4	Very low	60.2	Low	105 Å²	105	100.4 Å²	100.4	56%	0.561	52%	0.522	S	S	*	.	H	α-helix	trans	-76.2	-24	175.5	-85.7	-82.3	0	0	0	113.3	V11 F12 V13 F17	V11-N15 WeakPolarHBondContact CG1-ND2 3.29Å; V11-N15 WeakPolarHBondContact O-CB 3.47Å; V11-N15 PolarHBondContact O-N 3.23Å; V11-N15 PolarHBondContact O-ND2 3.33Å; F12-N15 PolarHBondContact O-N 2.95Å; V13-N15 VanDerWaalsContact C-N 3.33Å; V13-N15 PolarHBondContact O-N 3.44Å; N15-F17 PolarHBondContact O-N 3.43Å
16	I	51	Low	62.1	Low	119 Å²	119	97.4 Å²	97.4	61%	0.61	50%	0.501	S	S	*	.	H	α-helix	trans	-69.3	-20.1	170.4	-65.8	163.3	0	0	0	110.8	F12 V13 L18	F12-I16 HydrophobicContact CD1-CD1 3.91Å; F12-I16 HydrophobicContact CE1-CD1 4.22Å; F12-I16 WeakPolarHBondContact O-CD1 3.33Å; F12-I16 VanDerWaalsContact O-CG1 3.27Å; F12-I16 WeakPolarHBondContact O-CG1 3.49Å; F12-I16 PolarHBondContact O-N 3.36Å; F12-I16 VanDerWaalsContact O-N 3.12Å; V13-I16 WeakPolarHBondContact O-CA 3.32Å; V13-I16 WeakPolarHBondContact O-CB 3.42Å; V13-I16 PolarHBondContact O-N 3.15Å; I16-L18 PolarHBondContact O-N 3.34Å
17	F	46.3	Very low	63.5	Low	84 Å²	84	95.8 Å²	95.8	37%	0.368	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-11.1	-179.9	-67.2	-120.2	0	0	0	112.9	V13 L14 N15 Q233	V13-F17 VanDerWaalsContact C-CD2 3.42Å; V13-F17 HydrophobicContact CB-CE2 4.29Å; V13-F17 HydrophobicContact CG1-CE2 3.39Å; V13-F17 HydrophobicContact CG1-CZ 3.85Å; V13-F17 WeakPolarHBondContact O-CD2 3.43Å; V13-F17 WeakPolarHBondContact O-CE2 3.34Å; L14-F17 WeakPolarHBondContact O-CB 3.19Å; L14-F17 PolarHBondContact O-N 3.42Å; N15-F17 PolarHBondContact O-N 3.43Å; F17-Q233 VanDerWaalsContact CG-NE2 3.32Å
18	L	45.2	Very low	64.9	Low	133 Å²	133	94.9 Å²	94.9	70%	0.696	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	9	-161.4	-96.8	160	0	0	0	117.4	I16	I16-L18 PolarHBondContact O-N 3.34Å
19	R	45.8	Very low	66.4	Low	233 Å²	233	89.1 Å²	89.1	88%	0.879	46%	0.458	S	S	*	.	S	Bend	trans	-135.7	7.1	-173.2	-73.8	-163.5	-178.5	-138.2	1.1	120.5
20	T	47.7	Very low	67.8	Low	107 Å²	107	92.5 Å²	92.5	66%	0.656	47%	0.471	S	S	*	.			trans	-127.1	58.5	175.9	36.1	0	0	0	0	112.8	H22	T20-H22 PolarHBondContact O-N 3.32Å; T20-H22 PolarHBondContact O-ND1 3.46Å
21	I	53.7	Low	69.4	Low	107 Å²	107	92.9 Å²	92.9	55%	0.549	48%	0.48	S	S	.	.			trans	-62.7	97.3	148.5	-59.1	174.5	0	0	0	105	S23 E66	I21-S23 PolarHBondContact O-N 3.18Å; I21-E66 HydrophobicContact CG2-CG 4.04Å
22	H	61.6	Low	71	Confident	121 Å²	121	90 Å²	90	56%	0.56	46%	0.463	S	S	*	.			trans	-65.7	118.2	173	-74.3	79.1	0	0	0	106.9	T20 L24	T20-H22 PolarHBondContact O-N 3.32Å; T20-H22 PolarHBondContact O-ND1 3.46Å; H22-L24 PolarHBondContact O-N 3.45Å
23	S	74.3	Confident	73	Confident	15 Å²	15	84.7 Å²	84.7	11%	0.105	44%	0.443	C	S	.	.			trans	-54.8	108	173.4	51.2	0	0	0	0	108.9	I21 I62 S65	I21-S23 PolarHBondContact O-N 3.18Å; S23-I62 VanDerWaalsContact OG-CG2 3.3Å; S23-I62 WeakPolarHBondContact OG-CG2 3.27Å; S23-S65 WeakPolarHBondContact CB-OG 3.29Å
24	L	86.2	Confident	75	Confident	63 Å²	63	84.7 Å²	84.7	33%	0.33	44%	0.443	S	S	.	.			trans	-68.9	137.9	179.7	-165.9	67.1	0	0	0	108.8	H22 Q28 I29 S65	H22-L24 PolarHBondContact O-N 3.45Å; L24-Q28 HydrophobicContact CD1-CB 3.83Å; L24-Q28 HydrophobicContact CD2-CB 3.97Å; L24-Q28 WeakPolarHBondContact CD2-O 3.32Å; L24-Q28 HydrophobicContact CG-CB 3.7Å; L24-I29 HydrophobicContact CD2-CG1 4.36Å; L24-S65 WeakPolarHBondContact O-CB 3.48Å; L24-S65 PolarHBondContact O-OG 3.18Å
25	P	92.6	Very high	77.2	Confident	29 Å²	29	79.3 Å²	79.3	19%	0.188	42%	0.415	C	S	.	.			trans	-58.9	144.7	171.5	-22.3	33.5	0	0	0	110.6	S27 Q28 I29	P25-S27 PolarHBondContact O-N 3.12Å; P25-S27 VanDerWaalsContact O-N 3.1Å; P25-Q28 PolarHBondContact O-N 2.88Å; P25-I29 PolarHBondContact O-N 3.16Å
26	Y	96.7	Very high	79.5	Confident	5 Å²	5	78 Å²	78	2%	0.02	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-52.9	-36.6	-179.9	-64.2	-85.9	0	0	0	113.6	Q28 I29 V52 Y54 C61 Y64 S65 F68	Y26-Q28 PolarHBondContact O-N 3.06Å; Y26-I29 HydrophobicContact CD1-CD1 4.07Å; Y26-I29 PolarHBondContact O-N 2.85Å; Y26-V52 HydrophobicContact CD1-CG1 3.6Å; Y26-V52 HydrophobicContact CD1-CG2 4.24Å; Y26-V52 HydrophobicContact CE1-CG1 4.07Å; Y26-V52 HydrophobicContact CE1-CG2 3.88Å; Y26-V52 HydrophobicContact CG-CG1 4.26Å; Y26-Y54 AromaticContact CD2-CD1 3.76Å; Y26-Y54 HydrophobicContact CD2-CD1 3.76Å; Y26-Y54 AromaticContact CD2-CD2 3.42Å; Y26-Y54 HydrophobicContact CD2-CD2 3.42Å; Y26-Y54 VanDerWaalsContact CD2-CD2 3.42Å; Y26-Y54 AromaticContact CD2-CE1 4Å; Y26-Y54 HydrophobicContact CD2-CE1 4Å; Y26-Y54 AromaticContact CD2-CE2 3.69Å; Y26-Y54 HydrophobicContact CD2-CE2 3.69Å; Y26-Y54 AromaticContact CD2-CG 3.47Å; Y26-Y54 HydrophobicContact CD2-CG 3.47Å; Y26-Y54 VanDerWaalsContact CD2-CG 3.47Å; Y26-Y54 AromaticContact CD2-CZ 3.95Å; Y26-Y54 HydrophobicContact CE2-CD1 4.43Å; Y26-Y54 AromaticContact CE2-CD2 3.85Å; Y26-Y54 HydrophobicContact CE2-CD2 3.85Å; Y26-Y54 AromaticContact CE2-CG 3.81Å; Y26-Y54 HydrophobicContact CE2-CG 3.81Å; Y26-Y54 AromaticContact CG-CD1 3.92Å; Y26-Y54 HydrophobicContact CG-CD1 3.92Å; Y26-Y54 HydrophobicContact CG-CD2 4.36Å; Y26-Y54 HydrophobicContact CG-CE1 4Å; Y26-Y54 HydrophobicContact CG-CE2 4.44Å; Y26-Y54 HydrophobicContact CG-CG 4.11Å; Y26-C61 HydrophobicContact CE2-CB 4.25Å; Y26-C61 WeakPolarHBondContact CE2-O 3.33Å; Y26-C61 PolarHBondContact OH-O 2.81Å; Y26-Y64 HydrophobicContact CE1-CD1 4.41Å; Y26-Y64 VanDerWaalsContact OH-CD1 3.31Å; Y26-Y64 WeakPolarHBondContact OH-CD1 3.48Å; Y26-S65 WeakPolarHBondContact OH-CA 3.21Å; Y26-S65 PolarHBondContact OH-N 2.85Å; Y26-F68 AromaticContact CD1-CD1 3.69Å; Y26-F68 HydrophobicContact CD1-CD1 3.69Å; Y26-F68 HydrophobicContact CD1-CE1 4.16Å; Y26-F68 HydrophobicContact CD1-CG 4.43Å; Y26-F68 HydrophobicContact CE1-CB 4.07Å; Y26-F68 AromaticContact CE1-CD1 3.8Å; Y26-F68 HydrophobicContact CE1-CD1 3.8Å; Y26-F68 HydrophobicContact CE1-CG 4.08Å
27	S	94.7	Very high	81.8	Confident	56 Å²	56	75.4 Å²	75.4	39%	0.392	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-67.8	-11.2	178	57.8	0	0	0	0	115	P25	P25-S27 PolarHBondContact O-N 3.12Å; P25-S27 VanDerWaalsContact O-N 3.1Å
28	Q	95	Very high	84.2	Confident	122 Å²	122	74.8 Å²	74.8	57%	0.57	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-110.6	-2.9	179.6	-67.2	-179.3	-4.1	0	0	112.5	L24 P25 Y26 E30	L24-Q28 HydrophobicContact CD1-CB 3.83Å; L24-Q28 HydrophobicContact CD2-CB 3.97Å; L24-Q28 WeakPolarHBondContact CD2-O 3.32Å; L24-Q28 HydrophobicContact CG-CB 3.7Å; P25-Q28 PolarHBondContact O-N 2.88Å; Y26-Q28 PolarHBondContact O-N 3.06Å; Q28-E30 PolarHBondContact O-N 2.99Å
29	I	96.3	Very high	86.7	Confident	7 Å²	7	69.7 Å²	69.7	4%	0.036	39%	0.387	C	S	.	.	S	Bend	trans	-68.8	127.2	177.8	-60.3	175.3	0	0	0	109.5	L24 P25 Y26 G31 V32 F68 C72	L24-I29 HydrophobicContact CD2-CG1 4.36Å; P25-I29 PolarHBondContact O-N 3.16Å; Y26-I29 HydrophobicContact CD1-CD1 4.07Å; Y26-I29 PolarHBondContact O-N 2.85Å; I29-G31 PolarHBondContact O-N 2.77Å; I29-V32 HydrophobicContact CB-CB 4.12Å; I29-V32 HydrophobicContact CB-CG2 3.75Å; I29-V32 HydrophobicContact CG2-CB 4.41Å; I29-V32 HydrophobicContact CG2-CG2 3.56Å; I29-V32 WeakPolarHBondContact O-CB 3.41Å; I29-V32 PolarHBondContact O-N 3.46Å; I29-V32 VanDerWaalsContact O-N 3.12Å; I29-F68 HydrophobicContact CD1-CD1 3.84Å; I29-F68 HydrophobicContact CD1-CE1 4.48Å; I29-C72 HydrophobicContact CG2-CB 3.93Å
30	E	94.8	Very high	89.2	Confident	179 Å²	179	58.6 Å²	58.6	84%	0.836	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	134.6	178.4	-170.7	-177	174.3	0	0	111.4	Q28 V32	Q28-E30 PolarHBondContact O-N 2.99Å; E30-V32 PolarHBondContact O-N 3.42Å
31	G	96	Very high	91.5	Very high	60 Å²	60	57.3 Å²	57.3	62%	0.619	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-8.4	-178.6	0	0	0	0	0	114.9	I29	I29-G31 PolarHBondContact O-N 2.77Å
32	V	98.3	Very high	93.5	Very high	15 Å²	15	58.5 Å²	58.5	9%	0.091	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.2	175.7	-179.6	0	0	0	0	109.9	I29 E30 F68 C72 L84	I29-V32 HydrophobicContact CB-CB 4.12Å; I29-V32 HydrophobicContact CB-CG2 3.75Å; I29-V32 HydrophobicContact CG2-CB 4.41Å; I29-V32 HydrophobicContact CG2-CG2 3.56Å; I29-V32 WeakPolarHBondContact O-CB 3.41Å; I29-V32 PolarHBondContact O-N 3.46Å; I29-V32 VanDerWaalsContact O-N 3.12Å; E30-V32 PolarHBondContact O-N 3.42Å; V32-F68 HydrophobicContact CG2-CE1 4.12Å; V32-C72 HydrophobicContact CG2-CB 4.37Å; V32-C72 VanDerWaalsContact CG2-SG 3.6Å; V32-L84 HydrophobicContact CG2-CB 4.1Å
33	T	98.4	Very high	95.2	Very high	38 Å²	38	57.2 Å²	57.2	23%	0.233	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.2	176.9	-63.5	0	0	0	0	111.2	L35 K43 L84 G85 S86	T33-L35 HydrophobicContact CG2-CD2 3.87Å; T33-L35 HydrophobicContact CG2-CG 4.39Å; T33-L35 PolarHBondContact O-N 3.41Å; T33-K43 HydrophobicContact CG2-CD 3.73Å; T33-L84 PolarHBondContact N-O 2.79Å; T33-G85 CarbonylContact O-C 3.59Å; T33-G85 WeakPolarHBondContact O-CA 3.37Å; T33-S86 PolarHBondContact O-N 2.86Å
34	V	98.4	Very high	96.2	Very high	68 Å²	68	56.5 Å²	56.5	41%	0.412	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	116.8	168.9	-176.8	0	0	0	0	109.5	N39	V34-N39 PolarHBondContact O-ND2 3.17Å
35	L	98.7	Very high	96.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	33%	0.333	C	S	.	.			trans	-107.3	141.1	-179.6	-62.6	173.7	0	0	0	110.6	T33 N39 F40 K43 T44 W49 V51 S86 V87	T33-L35 HydrophobicContact CG2-CD2 3.87Å; T33-L35 HydrophobicContact CG2-CG 4.39Å; T33-L35 PolarHBondContact O-N 3.41Å; L35-N39 WeakPolarHBondContact CA-OD1 3.49Å; L35-F40 HydrophobicContact CB-CD2 3.88Å; L35-F40 HydrophobicContact CB-CE2 4.46Å; L35-F40 HydrophobicContact CD1-CD2 4.03Å; L35-F40 HydrophobicContact CD1-CE2 3.95Å; L35-F40 HydrophobicContact CG-CD2 4.45Å; L35-K43 HydrophobicContact CD2-CB 4.13Å; L35-K43 HydrophobicContact CD2-CD 3.97Å; L35-T44 HydrophobicContact CD1-CG2 4.04Å; L35-T44 HydrophobicContact CD2-CG2 4.44Å; L35-W49 HydrophobicContact CD1-CE3 4.24Å; L35-W49 HydrophobicContact CD1-CZ3 4.26Å; L35-W49 HydrophobicContact CD2-CZ3 4.29Å; L35-V51 HydrophobicContact CD1-CG1 4.05Å; L35-V51 HydrophobicContact CD1-CG2 3.62Å; L35-S86 PolarHBondContact N-O 2.66Å; L35-V87 HydrophobicContact CB-CG2 3.8Å
36	H	98.2	Very high	96.5	Very high	78 Å²	78	62 Å²	62	36%	0.361	36%	0.357	S	S	.	.			trans	-154.1	165.9	179.4	57.9	82.7	0	0	0	108.9	G38 N39 F40 N94	H36-G38 PolarHBondContact ND1-N 3.41Å; H36-G38 PolarHBondContact O-N 3.3Å; H36-N39 PolarHBondContact CD2-ND2 3.38Å; H36-N39 VanDerWaalsContact CD2-ND2 3.35Å; H36-N39 PolarHBondContact N-OD1 2.94Å; H36-N39 PolarHBondContact NE2-ND2 2.89Å; H36-N39 PolarHBondContact O-N 2.88Å; H36-N39 PolarHBondContact O-OD1 2.96Å; H36-N39 VanDerWaalsContact O-OD1 3.07Å; H36-F40 WeakPolarHBondContact O-CB 3.38Å; H36-F40 PolarHBondContact O-N 3.22Å; H36-N94 WeakPolarHBondContact CA-OD1 3.5Å; H36-N94 VanDerWaalsContact CB-OD1 3.31Å; H36-N94 WeakPolarHBondContact CB-OD1 3.43Å
37	P	97.9	Very high	96.3	Very high	64 Å²	64	63.5 Å²	63.5	42%	0.416	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-38.2	-173.9	-30	33.5	0	0	0	114.8	N39 T93 N94 L97	P37-N39 PolarHBondContact O-N 2.88Å; P37-T93 VanDerWaalsContact CG-O 3.23Å; P37-T93 WeakPolarHBondContact CG-O 3.4Å; P37-N94 WeakPolarHBondContact CD-OD1 3.2Å; P37-L97 HydrophobicContact CG-CB 4.27Å
38	G	97.6	Very high	96.4	Very high	71 Å²	71	61.3 Å²	61.3	73%	0.732	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-15.2	178.6	0	0	0	0	0	116.1	H36	H36-G38 PolarHBondContact ND1-N 3.41Å; H36-G38 PolarHBondContact O-N 3.3Å
39	N	98	Very high	96.6	Very high	25 Å²	25	56.2 Å²	56.2	13%	0.134	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130	-13.4	-180	77.5	10.1	0	0	0	114.8	V34 L35 H36 P37 K43	V34-N39 PolarHBondContact O-ND2 3.17Å; L35-N39 WeakPolarHBondContact CA-OD1 3.49Å; H36-N39 PolarHBondContact CD2-ND2 3.38Å; H36-N39 VanDerWaalsContact CD2-ND2 3.35Å; H36-N39 PolarHBondContact N-OD1 2.94Å; H36-N39 PolarHBondContact NE2-ND2 2.89Å; H36-N39 PolarHBondContact O-N 2.88Å; H36-N39 PolarHBondContact O-OD1 2.96Å; H36-N39 VanDerWaalsContact O-OD1 3.07Å; P37-N39 PolarHBondContact O-N 2.88Å; N39-K43 HydrophobicContact CB-CD 4.44Å; N39-K43 WeakPolarHBondContact O-CB 3.32Å; N39-K43 WeakPolarHBondContact O-CG 3.24Å; N39-K43 PolarHBondContact O-N 3.25Å
40	F	98.2	Very high	96.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-59.1	-58.6	-167.2	-172.4	-80.5	0	0	0	111.8	L35 H36 N42 K43 T44 F53 V87 L97 F101 L112	L35-F40 HydrophobicContact CB-CD2 3.88Å; L35-F40 HydrophobicContact CB-CE2 4.46Å; L35-F40 HydrophobicContact CD1-CD2 4.03Å; L35-F40 HydrophobicContact CD1-CE2 3.95Å; L35-F40 HydrophobicContact CG-CD2 4.45Å; H36-F40 WeakPolarHBondContact O-CB 3.38Å; H36-F40 PolarHBondContact O-N 3.22Å; F40-N42 PolarHBondContact O-N 2.84Å; F40-K43 PolarHBondContact O-N 2.71Å; F40-T44 HydrophobicContact CD1-CG2 4.47Å; F40-T44 WeakPolarHBondContact CD1-OG1 3.28Å; F40-T44 HydrophobicContact CE1-CG2 4.26Å; F40-T44 VanDerWaalsContact CE1-OG1 3.3Å; F40-T44 WeakPolarHBondContact CE1-OG1 3.27Å; F40-T44 HydrophobicContact CZ-CG2 4.27Å; F40-T44 WeakPolarHBondContact O-CB 3.46Å; F40-T44 WeakPolarHBondContact O-CG2 3.15Å; F40-T44 PolarHBondContact O-N 2.88Å; F40-T44 PolarHBondContact O-OG1 3.14Å; F40-F53 HydrophobicContact CE2-CZ 4.35Å; F40-V87 HydrophobicContact CD2-CG2 4.32Å; F40-V87 HydrophobicContact CE2-CG2 4.21Å; F40-L97 HydrophobicContact CB-CD1 4.3Å; F40-L97 HydrophobicContact CB-CD2 4.22Å; F40-L97 HydrophobicContact CD1-CD1 3.95Å; F40-L97 HydrophobicContact CD2-CD1 3.71Å; F40-L97 HydrophobicContact CD2-CD2 3.56Å; F40-L97 HydrophobicContact CD2-CG 4.18Å; F40-L97 HydrophobicContact CE1-CD1 4.24Å; F40-L97 HydrophobicContact CE2-CD1 4Å; F40-L97 HydrophobicContact CE2-CD2 4.21Å; F40-L97 HydrophobicContact CG-CD1 3.71Å; F40-L97 HydrophobicContact CG-CD2 4.05Å; F40-L97 HydrophobicContact CZ-CD1 4.26Å; F40-F101 HydrophobicContact CD1-CE2 4.33Å; F40-F101 AromaticContact CE1-CE2 3.43Å; F40-F101 HydrophobicContact CE1-CE2 3.43Å; F40-F101 VanDerWaalsContact CE1-CE2 3.43Å; F40-F101 AromaticContact CE1-CZ 3.45Å; F40-F101 HydrophobicContact CE1-CZ 3.45Å; F40-F101 VanDerWaalsContact CE1-CZ 3.45Å; F40-F101 HydrophobicContact CE2-CE2 4.01Å; F40-F101 HydrophobicContact CE2-CZ 4.47Å; F40-F101 HydrophobicContact CZ-CD2 4.23Å; F40-F101 HydrophobicContact CZ-CE1 4.39Å; F40-F101 AromaticContact CZ-CE2 3.24Å; F40-F101 HydrophobicContact CZ-CE2 3.24Å; F40-F101 AromaticContact CZ-CZ 3.35Å; F40-F101 HydrophobicContact CZ-CZ 3.35Å; F40-L112 HydrophobicContact CE1-CD2 4.12Å; F40-L112 HydrophobicContact CZ-CD2 3.81Å
41	D	95.8	Very high	96.9	Very high	80 Å²	80	47.3 Å²	47.3	43%	0.428	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-39.4	-173.9	-72.1	-46.4	0	0	0	112	S45 R100	D41-S45 WeakPolarHBondContact O-CA 3.39Å; D41-S45 VanDerWaalsContact O-CB 3.23Å; D41-S45 WeakPolarHBondContact O-CB 3.32Å; D41-S45 PolarHBondContact O-N 3.2Å; D41-R100 VanDerWaalsContact CG-NH1 3.35Å; D41-R100 IonicContact OD1-CZ 3.08Å; D41-R100 VanDerWaalsContact OD1-CZ 3.24Å; D41-R100 IonicContact OD1-NH1 3.58Å; D41-R100 PolarHBondContact OD1-NH1 3.44Å; D41-R100 IonicContact OD1-NH2 3.8Å; D41-R100 PolarHBondContact OD1-NH2 3.12Å; D41-R100 IonicContact OD2-NH1 2.86Å; D41-R100 PolarHBondContact OD2-NH1 2.88Å; D41-R100 VanDerWaalsContact OD2-NH1 3.1Å
42	N	95.9	Very high	97	Very high	133 Å²	133	44.5 Å²	44.5	71%	0.711	26%	0.262	S	S	*	.	H	α-helix	trans	-61.3	-51.2	176.9	-177.3	21.7	0	0	0	111	F40 T44 S45	F40-N42 PolarHBondContact O-N 2.84Å; N42-T44 PolarHBondContact O-N 2.64Å; N42-S45 PolarHBondContact O-OG 2.85Å
43	K	96.4	Very high	97	Very high	93 Å²	93	43.8 Å²	43.8	40%	0.404	26%	0.258	S	S	.	.	H	α-helix	trans	-69	-34.9	-177	-70.9	-166.1	173	-165.6	0	113.3	T33 L35 N39 F40 W49	T33-K43 HydrophobicContact CG2-CD 3.73Å; L35-K43 HydrophobicContact CD2-CB 4.13Å; L35-K43 HydrophobicContact CD2-CD 3.97Å; N39-K43 HydrophobicContact CB-CD 4.44Å; N39-K43 WeakPolarHBondContact O-CB 3.32Å; N39-K43 WeakPolarHBondContact O-CG 3.24Å; N39-K43 PolarHBondContact O-N 3.25Å; F40-K43 PolarHBondContact O-N 2.71Å; K43-W49 HydrophobicContact CB-CH2 4.15Å; K43-W49 HydrophobicContact CB-CZ2 4.08Å; K43-W49 VanDerWaalsContact O-CE2 3.31Å; K43-W49 WeakPolarHBondContact O-CZ2 3.32Å; K43-W49 PolarHBondContact O-NE1 3.49Å
44	T	96.4	Very high	97	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	25%	0.25	C	C	.	.	H	α-helix	trans	-99.4	7.7	-174.3	64.6	0	0	0	0	113.6	L35 F40 N42 E46 W49 Q119	L35-T44 HydrophobicContact CD1-CG2 4.04Å; L35-T44 HydrophobicContact CD2-CG2 4.44Å; F40-T44 HydrophobicContact CD1-CG2 4.47Å; F40-T44 WeakPolarHBondContact CD1-OG1 3.28Å; F40-T44 HydrophobicContact CE1-CG2 4.26Å; F40-T44 VanDerWaalsContact CE1-OG1 3.3Å; F40-T44 WeakPolarHBondContact CE1-OG1 3.27Å; F40-T44 HydrophobicContact CZ-CG2 4.27Å; F40-T44 WeakPolarHBondContact O-CB 3.46Å; F40-T44 WeakPolarHBondContact O-CG2 3.15Å; F40-T44 PolarHBondContact O-N 2.88Å; F40-T44 PolarHBondContact O-OG1 3.14Å; N42-T44 PolarHBondContact O-N 2.64Å; T44-E46 PolarHBondContact O-N 3.04Å; T44-W49 HydrophobicContact CG2-CD2 3.77Å; T44-W49 HydrophobicContact CG2-CE3 4.13Å; T44-W49 HydrophobicContact CG2-CG 4Å; T44-W49 HydrophobicContact CG2-CZ2 4.49Å; T44-Q119 VanDerWaalsContact CB-NE2 3.28Å; T44-Q119 PolarHBondContact O-NE2 3.28Å; T44-Q119 PolarHBondContact OG1-NE2 3Å
45	S	93.7	Very high	96.9	Very high	57 Å²	57	40 Å²	40	40%	0.399	23%	0.232	S	C	.	.	S	Bend	trans	-64.7	-29.3	177.3	58.3	0	0	0	0	112.9	D41 N42 T114	D41-S45 WeakPolarHBondContact O-CA 3.39Å; D41-S45 VanDerWaalsContact O-CB 3.23Å; D41-S45 WeakPolarHBondContact O-CB 3.32Å; D41-S45 PolarHBondContact O-N 3.2Å; N42-S45 PolarHBondContact O-OG 2.85Å; S45-T114 PolarHBondContact O-OG1 2.85Å
46	E	90.7	Very high	96.8	Very high	151 Å²	151	43.4 Å²	43.4	71%	0.706	25%	0.247	S	C	*	.	S	Bend	trans	-131.2	161.4	-179.6	-64.1	-176.3	-177.6	0	0	111.5	T44 W49	T44-E46 PolarHBondContact O-N 3.04Å; E46-W49 PolarHBondContact O-NE1 3.25Å; E46-W49 VanDerWaalsContact O-NE1 3.12Å
47	G	92.7	Very high	96.6	Very high	35 Å²	35	40 Å²	40	36%	0.361	23%	0.232	S	C	.	.	S	Bend	trans	74.6	-176.9	-179.2	0	0	0	0	0	113.8
48	N	97.5	Very high	96.5	Very high	11 Å²	11	37.2 Å²	37.2	6%	0.059	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	138.3	172.9	-48.8	-68.8	0	0	0	109.4	V81 H83 F111 L112 F113 L141 S145	N48-V81 WeakPolarHBondContact CB-O 2.85Å; N48-V81 PolarHBondContact ND2-O 3.26Å; N48-H83 PolarHBondContact O-N 3.32Å; N48-F111 HydrophobicContact CB-CE2 4.01Å; N48-F111 HydrophobicContact CB-CZ 3.81Å; N48-L112 CarbonylContact C-O 3.49Å; N48-L112 VanDerWaalsContact CA-O 3.29Å; N48-L112 WeakPolarHBondContact CA-O 3.36Å; N48-F113 WeakPolarHBondContact OD1-CB 3.43Å; N48-L141 HydrophobicContact CB-CD2 3.88Å; N48-S145 PolarHBondContact ND2-OG 2.87Å; N48-S145 PolarHBondContact OD1-OG 3.27Å
49	W	98.4	Very high	96.4	Very high	14 Å²	14	34.8 Å²	34.8	5%	0.053	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.3	-177.5	-73.6	75.7	0	0	0	110.7	L35 K43 T44 E46 V51 H83 F111 L112	L35-W49 HydrophobicContact CD1-CE3 4.24Å; L35-W49 HydrophobicContact CD1-CZ3 4.26Å; L35-W49 HydrophobicContact CD2-CZ3 4.29Å; K43-W49 HydrophobicContact CB-CH2 4.15Å; K43-W49 HydrophobicContact CB-CZ2 4.08Å; K43-W49 VanDerWaalsContact O-CE2 3.31Å; K43-W49 WeakPolarHBondContact O-CZ2 3.32Å; K43-W49 PolarHBondContact O-NE1 3.49Å; T44-W49 HydrophobicContact CG2-CD2 3.77Å; T44-W49 HydrophobicContact CG2-CE3 4.13Å; T44-W49 HydrophobicContact CG2-CG 4Å; T44-W49 HydrophobicContact CG2-CZ2 4.49Å; E46-W49 PolarHBondContact O-NE1 3.25Å; E46-W49 VanDerWaalsContact O-NE1 3.12Å; W49-V51 HydrophobicContact CB-CG2 4.16Å; W49-V51 HydrophobicContact CE3-CG2 4.42Å; W49-H83 CarbonylContact C-O 3.58Å; W49-H83 VanDerWaalsContact CA-O 3.31Å; W49-H83 WeakPolarHBondContact CA-O 3.27Å; W49-H83 HydrophobicContact CD2-CB 3.42Å; W49-H83 VanDerWaalsContact CD2-CB 3.42Å; W49-H83 VanDerWaalsContact CE2-CB 3.45Å; W49-H83 AromaticContact CE2-CD2 3.77Å; W49-H83 AromaticContact CE2-CG 3.83Å; W49-H83 HydrophobicContact CE3-CB 3.63Å; W49-H83 HydrophobicContact CG-CB 3.96Å; W49-H83 HydrophobicContact CH2-CB 3.9Å; W49-H83 HydrophobicContact CZ2-CB 3.7Å; W49-H83 AromaticContact CZ2-CG 3.94Å; W49-H83 HydrophobicContact CZ3-CB 3.87Å; W49-H83 AromaticContact NE1-CD2 3.53Å; W49-F111 CarbonylContact O-C 3.44Å; W49-F111 VanDerWaalsContact O-CA 3.29Å; W49-F111 WeakPolarHBondContact O-CA 3.42Å; W49-L112 HydrophobicContact CB-CB 4.19Å; W49-L112 HydrophobicContact CB-CD1 3.74Å; W49-L112 PolarHBondContact N-O 3.04Å; W49-L112 PolarHBondContact O-N 2.81Å
50	L	98.6	Very high	96.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115.6	159.5	-177.1	65.7	0	0	0	108.5	F68 F71 L82 H83 L84 G85 L109 I124 I137	L50-F68 HydrophobicContact CD2-CE2 4.19Å; L50-F71 HydrophobicContact CD2-CD1 4.27Å; L50-F71 HydrophobicContact CD2-CE1 3.42Å; L50-F71 VanDerWaalsContact CD2-CE1 3.42Å; L50-F71 HydrophobicContact CD2-CZ 3.79Å; L50-L82 HydrophobicContact CB-CD1 4.18Å; L50-H83 PolarHBondContact N-O 2.96Å; L50-L84 HydrophobicContact CB-CD2 4.1Å; L50-L84 HydrophobicContact CD2-CD2 4.48Å; L50-L84 WeakPolarHBondContact O-CA 3.48Å; L50-G85 PolarHBondContact O-N 2.95Å; L50-L109 HydrophobicContact CD1-CB 4.08Å; L50-L109 HydrophobicContact CD1-CD1 4.44Å; L50-I124 HydrophobicContact CD1-CG1 4.22Å; L50-I137 HydrophobicContact CD1-CD1 3.6Å; L50-I137 HydrophobicContact CD2-CD1 3.77Å; L50-I137 HydrophobicContact CD2-CG1 4.12Å; L50-I137 HydrophobicContact CG-CD1 4.19Å
51	V	98.7	Very high	96.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.8	-178.3	-179.2	0	0	0	0	110.2	L35 W49 F53 G85 V87 L109 R110 L112	L35-V51 HydrophobicContact CD1-CG1 4.05Å; L35-V51 HydrophobicContact CD1-CG2 3.62Å; W49-V51 HydrophobicContact CB-CG2 4.16Å; W49-V51 HydrophobicContact CE3-CG2 4.42Å; V51-F53 HydrophobicContact CB-CE2 4.01Å; V51-F53 HydrophobicContact CG1-CD2 4.05Å; V51-F53 HydrophobicContact CG1-CE2 3.57Å; V51-F53 HydrophobicContact CG1-CZ 3.98Å; V51-G85 VanDerWaalsContact CA-O 3.3Å; V51-G85 WeakPolarHBondContact CA-O 3.29Å; V51-V87 HydrophobicContact CG1-CG2 3.84Å; V51-L109 WeakPolarHBondContact O-CA 3.46Å; V51-R110 PolarHBondContact N-O 3.42Å; V51-R110 PolarHBondContact O-N 2.68Å; V51-L112 HydrophobicContact CB-CD1 3.88Å; V51-L112 HydrophobicContact CG2-CD1 3.3Å
52	V	98.6	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	121.1	170.8	62	0	0	0	0	110.7	Y26 F68 G85 S86 V87 P107 L109	Y26-V52 HydrophobicContact CD1-CG1 3.6Å; Y26-V52 HydrophobicContact CD1-CG2 4.24Å; Y26-V52 HydrophobicContact CE1-CG1 4.07Å; Y26-V52 HydrophobicContact CE1-CG2 3.88Å; Y26-V52 HydrophobicContact CG-CG1 4.26Å; V52-F68 HydrophobicContact CB-CE1 4.23Å; V52-F68 HydrophobicContact CB-CE2 4.19Å; V52-F68 HydrophobicContact CB-CZ 3.92Å; V52-F68 HydrophobicContact CG1-CD1 4.2Å; V52-F68 HydrophobicContact CG1-CE1 3.57Å; V52-F68 HydrophobicContact CG1-CE2 4.41Å; V52-F68 HydrophobicContact CG1-CZ 3.69Å; V52-G85 PolarHBondContact N-O 3.47Å; V52-S86 CarbonylContact O-C 3.54Å; V52-S86 WeakPolarHBondContact O-CA 3.35Å; V52-V87 PolarHBondContact O-N 2.92Å; V52-P107 HydrophobicContact CG2-CB 4.26Å; V52-L109 HydrophobicContact CB-CD2 3.57Å; V52-L109 HydrophobicContact CG2-CD2 3.77Å
53	F	98.4	Very high	96.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.4	170.1	-66.7	-99.5	0	0	0	108.1	F40 V51 V87 L97 F101 V103 P107 T108 R110	F40-F53 HydrophobicContact CE2-CZ 4.35Å; V51-F53 HydrophobicContact CB-CE2 4.01Å; V51-F53 HydrophobicContact CG1-CD2 4.05Å; V51-F53 HydrophobicContact CG1-CE2 3.57Å; V51-F53 HydrophobicContact CG1-CZ 3.98Å; F53-V87 WeakPolarHBondContact CA-O 3.15Å; F53-V87 HydrophobicContact CD1-CB 3.66Å; F53-V87 HydrophobicContact CD1-CG1 3.82Å; F53-V87 HydrophobicContact CD1-CG2 4.19Å; F53-V87 HydrophobicContact CE1-CB 3.82Å; F53-V87 HydrophobicContact CE1-CG1 3.92Å; F53-V87 HydrophobicContact CE1-CG2 3.84Å; F53-V87 HydrophobicContact CG-CB 4.32Å; F53-V87 HydrophobicContact CZ-CG2 4.2Å; F53-L97 HydrophobicContact CE1-CG 4.47Å; F53-F101 HydrophobicContact CE1-CB 4.05Å; F53-F101 AromaticContact CE1-CD2 3.92Å; F53-F101 HydrophobicContact CE1-CD2 3.92Å; F53-F101 HydrophobicContact CE1-CG 4.16Å; F53-F101 HydrophobicContact CE2-CB 4.34Å; F53-F101 HydrophobicContact CE2-CG 4.26Å; F53-F101 HydrophobicContact CZ-CB 3.81Å; F53-F101 HydrophobicContact CZ-CD1 4.3Å; F53-F101 AromaticContact CZ-CD2 3.52Å; F53-F101 HydrophobicContact CZ-CD2 3.52Å; F53-F101 HydrophobicContact CZ-CE2 4.21Å; F53-F101 AromaticContact CZ-CG 3.58Å; F53-F101 HydrophobicContact CZ-CG 3.58Å; F53-V103 HydrophobicContact CB-CG1 4.04Å; F53-V103 HydrophobicContact CB-CG2 3.79Å; F53-V103 HydrophobicContact CD1-CG2 3.62Å; F53-V103 HydrophobicContact CD2-CG2 4.33Å; F53-V103 HydrophobicContact CE1-CG2 4.26Å; F53-V103 HydrophobicContact CG-CG2 3.65Å; F53-P107 CarbonylContact O-C 3.58Å; F53-P107 WeakPolarHBondContact O-CA 3.46Å; F53-T108 PolarHBondContact N-O 3.05Å; F53-T108 PolarHBondContact O-N 3.3Å; F53-R110 HydrophobicContact CD2-CB 4.41Å; F53-R110 HydrophobicContact CD2-CG 3.97Å; F53-R110 HydrophobicContact CE2-CB 3.86Å; F53-R110 HydrophobicContact CE2-CG 3.63Å
54	Y	97.9	Very high	96	Very high	15 Å²	15	22 Å²	22	6%	0.059	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	175.2	-174.1	72.3	-80.8	0	0	0	111	Y26 K56 V87 D88 C89	Y26-Y54 AromaticContact CD2-CD1 3.76Å; Y26-Y54 HydrophobicContact CD2-CD1 3.76Å; Y26-Y54 AromaticContact CD2-CD2 3.42Å; Y26-Y54 HydrophobicContact CD2-CD2 3.42Å; Y26-Y54 VanDerWaalsContact CD2-CD2 3.42Å; Y26-Y54 AromaticContact CD2-CE1 4Å; Y26-Y54 HydrophobicContact CD2-CE1 4Å; Y26-Y54 AromaticContact CD2-CE2 3.69Å; Y26-Y54 HydrophobicContact CD2-CE2 3.69Å; Y26-Y54 AromaticContact CD2-CG 3.47Å; Y26-Y54 HydrophobicContact CD2-CG 3.47Å; Y26-Y54 VanDerWaalsContact CD2-CG 3.47Å; Y26-Y54 AromaticContact CD2-CZ 3.95Å; Y26-Y54 HydrophobicContact CE2-CD1 4.43Å; Y26-Y54 AromaticContact CE2-CD2 3.85Å; Y26-Y54 HydrophobicContact CE2-CD2 3.85Å; Y26-Y54 AromaticContact CE2-CG 3.81Å; Y26-Y54 HydrophobicContact CE2-CG 3.81Å; Y26-Y54 AromaticContact CG-CD1 3.92Å; Y26-Y54 HydrophobicContact CG-CD1 3.92Å; Y26-Y54 HydrophobicContact CG-CD2 4.36Å; Y26-Y54 HydrophobicContact CG-CE1 4Å; Y26-Y54 HydrophobicContact CG-CE2 4.44Å; Y26-Y54 HydrophobicContact CG-CG 4.11Å; Y54-K56 HydrophobicContact CE2-CB 4.14Å; Y54-V87 WeakPolarHBondContact CD1-O 3.09Å; Y54-V87 PolarHBondContact N-O 3.45Å; Y54-D88 HydrophobicContact CE1-CB 4.1Å; Y54-D88 HydrophobicContact CE2-CB 4.08Å; Y54-D88 CarbonylContact O-C 3.59Å; Y54-C89 WeakPolarHBondContact O-CB 3.23Å; Y54-C89 PolarHBondContact O-N 3.3Å
55	R	96.7	Very high	96	Very high	11 Å²	11	22 Å²	22	4%	0.042	13%	0.127	C	C	.	.			trans	-123.3	127	164.8	-71.3	-174.4	-174.4	-95.1	14.8	108.6	S57 C58 D88 C89 E90 V106 S265 D266 S392	R55-S57 VanDerWaalsContact C-N 3.29Å; R55-S57 PolarHBondContact O-N 3.33Å; R55-C58 HydrophobicContact CB-CB 3.94Å; R55-C58 WeakPolarHBondContact O-CB 3.41Å; R55-C58 PolarHBondContact O-N 3.04Å; R55-C58 VanDerWaalsContact O-N 3.1Å; R55-D88 WeakPolarHBondContact CA-OD1 3.42Å; R55-C89 HydrophobicContact CG-CB 4.25Å; R55-C89 PolarHBondContact NH1-O 3.4Å; R55-E90 HydrophobicContact CB-CB 3.94Å; R55-E90 HydrophobicContact CG-CB 4.06Å; R55-V106 HydrophobicContact CB-CG2 4.28Å; R55-V106 HydrophobicContact CG-CG1 4.25Å; R55-V106 HydrophobicContact CG-CG2 4.07Å; R55-S265 PolarHBondContact NH1-OG 2.9Å; R55-S265 PolarHBondContact NH2-OG 2.79Å; R55-D266 IonicContact CZ-OD1 3.46Å; R55-D266 IonicContact NE-OD1 3.75Å; R55-D266 IonicContact NH2-OD1 3.54Å; R55-D266 PolarHBondContact NH2-OD1 3.37Å; R55-S392 VanDerWaalsContact CD-OG 3.26Å; R55-S392 WeakPolarHBondContact CD-OG 3.45Å; R55-S392 PolarHBondContact NE-OG 2.93Å
56	K	95.6	Very high	96.1	Very high	73 Å²	73	20.7 Å²	20.7	32%	0.317	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-38.1	-171.8	65.8	-174.6	173.7	-152.9	0	114.3	Y54 D88 E90 P344 H345	Y54-K56 HydrophobicContact CE2-CB 4.14Å; K56-D88 WeakPolarHBondContact CD-OD2 3.37Å; K56-D88 PolarHBondContact N-OD1 3.31Å; K56-D88 VanDerWaalsContact N-OD1 3.13Å; K56-E90 WeakPolarHBondContact CE-OE1 3.24Å; K56-E90 HydrophobicContact CG-CB 4.23Å; K56-E90 HydrophobicContact CG-CG 4.42Å; K56-E90 PolarHBondContact N-OE2 2.86Å; K56-P344 WeakPolarHBondContact CD-O 3.26Å; K56-H345 HydrophobicContact CB-CB 4.45Å; K56-H345 VanDerWaalsContact O-CA 3.28Å; K56-H345 WeakPolarHBondContact O-CA 3.06Å; K56-H345 WeakPolarHBondContact O-CB 3.44Å
57	S	95.5	Very high	96.3	Very high	7 Å²	7	14.4 Å²	14.4	5%	0.049	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	1.7	-178.2	70.9	0	0	0	0	114.3	R55 G59 E90 H345 P350	R55-S57 VanDerWaalsContact C-N 3.29Å; R55-S57 PolarHBondContact O-N 3.33Å; S57-G59 PolarHBondContact O-N 2.9Å; S57-E90 VanDerWaalsContact CB-OE2 3.32Å; S57-E90 WeakPolarHBondContact CB-OE2 3.29Å; S57-E90 PolarHBondContact N-OE2 3.42Å; S57-E90 PolarHBondContact OG-OE1 2.73Å; S57-E90 VanDerWaalsContact OG-OE1 3.11Å; S57-E90 PolarHBondContact OG-OE2 3.21Å; S57-H345 WeakPolarHBondContact CA-O 3.26Å; S57-P350 VanDerWaalsContact OG-CD 3.27Å; S57-P350 WeakPolarHBondContact OG-CD 3.15Å
58	C	96.2	Very high	96.6	Very high	5 Å²	5	12.8 Å²	12.8	3%	0.034	7%	0.07	C	C	.	.			trans	-74.9	116.3	178.7	171.9	0	0	0	0	111.1	R55 H60 C61 I62 V106 C393	R55-C58 HydrophobicContact CB-CB 3.94Å; R55-C58 WeakPolarHBondContact O-CB 3.41Å; R55-C58 PolarHBondContact O-N 3.04Å; R55-C58 VanDerWaalsContact O-N 3.1Å; C58-H60 PolarHBondContact O-N 3.23Å; C58-C61 HydrophobicContact CB-CB 3.86Å; C58-C61 WeakPolarHBondContact O-CA 3.49Å; C58-C61 WeakPolarHBondContact O-CB 3.48Å; C58-C61 PolarHBondContact O-N 3.01Å; C58-C61 PolarHBondContact SG-N 2.85Å; C58-C61 VanDerWaalsContact SG-SG 3.6Å; C58-I62 WeakPolarHBondContact O-CG1 3.42Å; C58-I62 PolarHBondContact O-N 3.43Å; C58-V106 HydrophobicContact CB-CG2 4.42Å; C58-C393 VanDerWaalsContact SG-CB 3.53Å; C58-C393 PolarHBondContact SG-SG 2.95Å
59	G	94.3	Very high	96.6	Very high	19 Å²	19	12.9 Å²	12.9	20%	0.196	7%	0.071	C	C	.	.	H	α-helix	trans	-58.3	-33.2	-179.3	0	0	0	0	0	114.6	S57 I62 S63 S467	S57-G59 PolarHBondContact O-N 2.9Å; G59-I62 PolarHBondContact O-N 3.05Å; G59-S63 WeakPolarHBondContact O-CB 3.39Å; G59-S63 PolarHBondContact O-N 2.8Å; G59-S467 VanDerWaalsContact CA-CB 3.4Å
60	H	95.1	Very high	96.5	Very high	14 Å²	14	15.8 Å²	15.8	7%	0.065	9%	0.086	C	C	.	.	H	α-helix	trans	-71.2	-38.4	175.2	-171.1	67.2	0	0	0	112.2	C58 S63 Y64 P107 C393 Y395 E426	C58-H60 PolarHBondContact O-N 3.23Å; H60-S63 PolarHBondContact O-N 3.4Å; H60-Y64 WeakPolarHBondContact O-CB 3.2Å; H60-Y64 PolarHBondContact O-N 2.73Å; H60-P107 WeakPolarHBondContact CD2-CD 3.4Å; H60-C393 VanDerWaalsContact CB-SG 3.58Å; H60-Y395 HydrophobicContact CB-CD1 3.8Å; H60-Y395 HydrophobicContact CB-CG 4.16Å; H60-Y395 AromaticContact CE1-CD2 3.86Å; H60-Y395 AromaticContact CE1-CG 3.76Å; H60-Y395 AromaticContact CG-CD1 3.82Å; H60-Y395 AromaticContact CG-CG 3.72Å; H60-Y395 AromaticContact ND1-CD1 3.56Å; H60-Y395 AromaticContact ND1-CD2 3.77Å; H60-Y395 AromaticContact ND1-CG 3.35Å; H60-Y395 VanDerWaalsContact ND1-CG 3.35Å; H60-E426 IonicContact CE1-OE1 3.66Å; H60-E426 PolarHBondContact CE1-OE1 3.29Å; H60-E426 VanDerWaalsContact CE1-OE1 3.26Å; H60-E426 IonicContact CE1-OE2 2.81Å; H60-E426 PolarHBondContact CE1-OE2 3.33Å; H60-E426 IonicContact NE2-OE1 2.8Å; H60-E426 IonicContact NE2-OE2 3.27Å
61	C	96.8	Very high	96.5	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.007	9%	0.086	C	C	.	.	H	α-helix	trans	-63.9	-40.5	171.9	-67.9	0	0	0	0	111.6	Y26 C58 Y64 S65	Y26-C61 HydrophobicContact CE2-CB 4.25Å; Y26-C61 WeakPolarHBondContact CE2-O 3.33Å; Y26-C61 PolarHBondContact OH-O 2.81Å; C58-C61 HydrophobicContact CB-CB 3.86Å; C58-C61 WeakPolarHBondContact O-CA 3.49Å; C58-C61 WeakPolarHBondContact O-CB 3.48Å; C58-C61 PolarHBondContact O-N 3.01Å; C58-C61 PolarHBondContact SG-N 2.85Å; C58-C61 VanDerWaalsContact SG-SG 3.6Å; C61-Y64 PolarHBondContact O-N 2.92Å; C61-S65 PolarHBondContact O-N 3.45Å; C61-S65 VanDerWaalsContact O-N 3.1Å
62	I	96	Very high	96.4	Very high	10 Å²	10	16 Å²	16	5%	0.051	9%	0.087	C	C	.	.	H	α-helix	trans	-62.8	-45.7	175.7	-62.2	164.9	0	0	0	110.1	S23 C58 G59 Y64 S65 H345 F346 P466	S23-I62 VanDerWaalsContact OG-CG2 3.3Å; S23-I62 WeakPolarHBondContact OG-CG2 3.27Å; C58-I62 WeakPolarHBondContact O-CG1 3.42Å; C58-I62 PolarHBondContact O-N 3.43Å; G59-I62 PolarHBondContact O-N 3.05Å; I62-Y64 VanDerWaalsContact C-N 3.25Å; I62-Y64 PolarHBondContact O-N 3.43Å; I62-S65 PolarHBondContact O-N 2.95Å; I62-S65 PolarHBondContact O-OG 3.37Å; I62-H345 WeakPolarHBondContact CD1-O 3.33Å; I62-F346 HydrophobicContact CD1-CD1 4.49Å; I62-P466 HydrophobicContact CG2-CB 4.33Å
63	S	93.7	Very high	96.4	Very high	36 Å²	36	21.2 Å²	21.2	25%	0.252	11%	0.107	S	C	.	.	H	α-helix	trans	-61.2	-30.4	175.5	169.4	0	0	0	0	113.6	G59 H60 R128	G59-S63 WeakPolarHBondContact O-CB 3.39Å; G59-S63 PolarHBondContact O-N 2.8Å; H60-S63 PolarHBondContact O-N 3.4Å; S63-R128 PolarHBondContact O-NH1 3.14Å; S63-R128 PolarHBondContact OG-NH1 3.19Å; S63-R128 VanDerWaalsContact OG-NH1 3.12Å; S63-R128 PolarHBondContact OG-NH2 2.85Å
64	Y	95.5	Very high	96.3	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	12%	0.12	C	C	.	.	H	α-helix	trans	-85.1	-15.5	179.1	-176.2	-107.9	0	0	0	113.6	Y26 H60 C61 I62 E66 P67 F68 P107 A126 E127 R128	Y26-Y64 HydrophobicContact CE1-CD1 4.41Å; Y26-Y64 VanDerWaalsContact OH-CD1 3.31Å; Y26-Y64 WeakPolarHBondContact OH-CD1 3.48Å; H60-Y64 WeakPolarHBondContact O-CB 3.2Å; H60-Y64 PolarHBondContact O-N 2.73Å; C61-Y64 PolarHBondContact O-N 2.92Å; I62-Y64 VanDerWaalsContact C-N 3.25Å; I62-Y64 PolarHBondContact O-N 3.43Å; Y64-E66 VanDerWaalsContact C-N 3.31Å; Y64-E66 PolarHBondContact O-N 2.95Å; Y64-P67 HydrophobicContact CD2-CB 4.44Å; Y64-P67 HydrophobicContact CE2-CB 4.47Å; Y64-P67 VanDerWaalsContact O-CD 3.32Å; Y64-P67 WeakPolarHBondContact O-CD 3.29Å; Y64-F68 HydrophobicContact CD1-CB 4.26Å; Y64-F68 HydrophobicContact CE1-CB 3.89Å; Y64-F68 HydrophobicContact CE1-CD2 4.15Å; Y64-F68 HydrophobicContact CE1-CG 4.31Å; Y64-F68 PolarHBondContact O-N 3Å; Y64-F68 VanDerWaalsContact O-N 3.1Å; Y64-P107 HydrophobicContact CD1-CB 3.95Å; Y64-P107 HydrophobicContact CD1-CG 3.6Å; Y64-P107 HydrophobicContact CE1-CB 4.45Å; Y64-P107 HydrophobicContact CE1-CG 4.26Å; Y64-P107 HydrophobicContact CG-CG 3.84Å; Y64-A126 HydrophobicContact CE1-CB 4.19Å; Y64-A126 HydrophobicContact CE2-CB 4.1Å; Y64-A126 WeakPolarHBondContact CE2-O 3.24Å; Y64-E127 PolarHBondContact OH-O 3.4Å; Y64-R128 HydrophobicContact CD2-CG 4.03Å; Y64-R128 HydrophobicContact CE2-CG 4.25Å
65	S	96.3	Very high	96.3	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-67.1	-31.5	-172.2	82.6	0	0	0	0	113.2	S23 L24 Y26 C61 I62 S69	S23-S65 WeakPolarHBondContact CB-OG 3.29Å; L24-S65 WeakPolarHBondContact O-CB 3.48Å; L24-S65 PolarHBondContact O-OG 3.18Å; Y26-S65 WeakPolarHBondContact OH-CA 3.21Å; Y26-S65 PolarHBondContact OH-N 2.85Å; C61-S65 PolarHBondContact O-N 3.45Å; C61-S65 VanDerWaalsContact O-N 3.1Å; I62-S65 PolarHBondContact O-N 2.95Å; I62-S65 PolarHBondContact O-OG 3.37Å; S65-S69 VanDerWaalsContact O-CB 3.28Å; S65-S69 WeakPolarHBondContact O-CB 3.36Å; S65-S69 PolarHBondContact O-N 2.84Å
66	E	95.2	Very high	96.3	Very high	29 Å²	29	28.6 Å²	28.6	14%	0.136	15%	0.145	C	C	.	.	H	α-helix	trans	-71.4	-50.5	176.6	178	56.3	-152.2	0	0	112.9	I21 Y64 F68 S69 Q70 R73	I21-E66 HydrophobicContact CG2-CG 4.04Å; Y64-E66 VanDerWaalsContact C-N 3.31Å; Y64-E66 PolarHBondContact O-N 2.95Å; E66-F68 PolarHBondContact O-N 2.88Å; E66-S69 WeakPolarHBondContact O-CB 3.36Å; E66-S69 PolarHBondContact O-N 3.34Å; E66-S69 VanDerWaalsContact O-N 3.07Å; E66-Q70 WeakPolarHBondContact O-CG 3.45Å; E66-Q70 PolarHBondContact O-N 3.19Å; E66-Q70 WeakPolarHBondContact OE1-CG 3.43Å; E66-Q70 PolarHBondContact OE1-NE2 3.28Å; E66-R73 IonicContact OE1-NH2 2.83Å; E66-R73 PolarHBondContact OE1-NH2 3.03Å
67	P	95.3	Very high	96.3	Very high	19 Å²	19	27.5 Å²	27.5	12%	0.123	14%	0.143	C	C	.	.	H	α-helix	trans	-51.8	-41.4	169.7	-29.4	33.6	0	0	0	113.6	Y64 Q70 F71 R128	Y64-P67 HydrophobicContact CD2-CB 4.44Å; Y64-P67 HydrophobicContact CE2-CB 4.47Å; Y64-P67 VanDerWaalsContact O-CD 3.32Å; Y64-P67 WeakPolarHBondContact O-CD 3.29Å; P67-Q70 PolarHBondContact O-N 3.05Å; P67-F71 PolarHBondContact O-N 3.15Å; P67-R128 HydrophobicContact CB-CB 4.3Å; P67-R128 HydrophobicContact CB-CG 4.45Å; P67-R128 HydrophobicContact CG-CB 4.38Å; P67-R128 HydrophobicContact CG-CG 4.29Å
68	F	97.7	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.3	-42.7	175.9	-172.7	-106.2	0	0	0	112	Y26 I29 V32 L50 V52 Y64 E66 Q70 F71 C72 L109	Y26-F68 AromaticContact CD1-CD1 3.69Å; Y26-F68 HydrophobicContact CD1-CD1 3.69Å; Y26-F68 HydrophobicContact CD1-CE1 4.16Å; Y26-F68 HydrophobicContact CD1-CG 4.43Å; Y26-F68 HydrophobicContact CE1-CB 4.07Å; Y26-F68 AromaticContact CE1-CD1 3.8Å; Y26-F68 HydrophobicContact CE1-CD1 3.8Å; Y26-F68 HydrophobicContact CE1-CG 4.08Å; I29-F68 HydrophobicContact CD1-CD1 3.84Å; I29-F68 HydrophobicContact CD1-CE1 4.48Å; V32-F68 HydrophobicContact CG2-CE1 4.12Å; L50-F68 HydrophobicContact CD2-CE2 4.19Å; V52-F68 HydrophobicContact CB-CE1 4.23Å; V52-F68 HydrophobicContact CB-CE2 4.19Å; V52-F68 HydrophobicContact CB-CZ 3.92Å; V52-F68 HydrophobicContact CG1-CD1 4.2Å; V52-F68 HydrophobicContact CG1-CE1 3.57Å; V52-F68 HydrophobicContact CG1-CE2 4.41Å; V52-F68 HydrophobicContact CG1-CZ 3.69Å; Y64-F68 HydrophobicContact CD1-CB 4.26Å; Y64-F68 HydrophobicContact CE1-CB 3.89Å; Y64-F68 HydrophobicContact CE1-CD2 4.15Å; Y64-F68 HydrophobicContact CE1-CG 4.31Å; Y64-F68 PolarHBondContact O-N 3Å; Y64-F68 VanDerWaalsContact O-N 3.1Å; E66-F68 PolarHBondContact O-N 2.88Å; F68-Q70 PolarHBondContact O-N 3.04Å; F68-F71 HydrophobicContact CD2-CD1 4.47Å; F68-F71 HydrophobicContact CE2-CD1 4.37Å; F68-F71 WeakPolarHBondContact O-CB 3.49Å; F68-F71 PolarHBondContact O-N 3.1Å; F68-C72 VanDerWaalsContact CE1-SG 3.51Å; F68-C72 PolarHBondContact O-N 3.15Å; F68-C72 PolarHBondContact O-SG 3.26Å; F68-L109 HydrophobicContact CD2-CD2 4.23Å; F68-L109 HydrophobicContact CE2-CD2 3.85Å
69	S	97.3	Very high	96.3	Very high	13 Å²	13	31.8 Å²	31.8	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-58.6	-43.8	173.9	179.1	0	0	0	0	112.1	S65 E66 F71 C72 R73	S65-S69 VanDerWaalsContact O-CB 3.28Å; S65-S69 WeakPolarHBondContact O-CB 3.36Å; S65-S69 PolarHBondContact O-N 2.84Å; E66-S69 WeakPolarHBondContact O-CB 3.36Å; E66-S69 PolarHBondContact O-N 3.34Å; E66-S69 VanDerWaalsContact O-N 3.07Å; S69-F71 VanDerWaalsContact C-N 3.34Å; S69-F71 PolarHBondContact O-N 2.81Å; S69-C72 PolarHBondContact O-N 3.35Å; S69-R73 WeakPolarHBondContact O-CG 3.23Å; S69-R73 PolarHBondContact O-N 2.85Å
70	Q	97.1	Very high	96.3	Very high	75 Å²	75	32.7 Å²	32.7	35%	0.35	16%	0.162	S	C	.	.	H	α-helix	trans	-61.2	-43	174.3	-70.4	172.1	12.6	0	0	111.7	E66 P67 F68 R73 S74 V130	E66-Q70 WeakPolarHBondContact O-CG 3.45Å; E66-Q70 PolarHBondContact O-N 3.19Å; E66-Q70 WeakPolarHBondContact OE1-CG 3.43Å; E66-Q70 PolarHBondContact OE1-NE2 3.28Å; P67-Q70 PolarHBondContact O-N 3.05Å; F68-Q70 PolarHBondContact O-N 3.04Å; Q70-R73 VanDerWaalsContact CG-NH2 3.32Å; Q70-R73 PolarHBondContact O-N 3.38Å; Q70-S74 WeakPolarHBondContact O-CB 3.42Å; Q70-S74 PolarHBondContact O-N 3.49Å; Q70-V130 HydrophobicContact CB-CG2 3.7Å
71	F	98	Very high	96.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.4	-50.8	172.3	167.1	-93.5	0	0	0	111.3	L50 P67 F68 S69 R73 S74 V75 L82 L84 V130 L133 R134 I137	L50-F71 HydrophobicContact CD2-CD1 4.27Å; L50-F71 HydrophobicContact CD2-CE1 3.42Å; L50-F71 VanDerWaalsContact CD2-CE1 3.42Å; L50-F71 HydrophobicContact CD2-CZ 3.79Å; P67-F71 PolarHBondContact O-N 3.15Å; F68-F71 HydrophobicContact CD2-CD1 4.47Å; F68-F71 HydrophobicContact CE2-CD1 4.37Å; F68-F71 WeakPolarHBondContact O-CB 3.49Å; F68-F71 PolarHBondContact O-N 3.1Å; S69-F71 VanDerWaalsContact C-N 3.34Å; S69-F71 PolarHBondContact O-N 2.81Å; F71-R73 VanDerWaalsContact C-N 3.33Å; F71-R73 PolarHBondContact O-N 3.33Å; F71-S74 WeakPolarHBondContact O-CA 3.34Å; F71-S74 WeakPolarHBondContact O-CB 3.13Å; F71-S74 PolarHBondContact O-N 3.31Å; F71-S74 PolarHBondContact O-OG 3.33Å; F71-V75 HydrophobicContact CD1-CG2 4.39Å; F71-V75 HydrophobicContact CD2-CG1 4.14Å; F71-V75 HydrophobicContact CE1-CG1 4.41Å; F71-V75 HydrophobicContact CE1-CG2 3.86Å; F71-V75 HydrophobicContact CE2-CG1 3.57Å; F71-V75 HydrophobicContact CZ-CB 4.44Å; F71-V75 HydrophobicContact CZ-CG1 3.72Å; F71-V75 HydrophobicContact CZ-CG2 3.93Å; F71-V75 WeakPolarHBondContact O-CG2 3.39Å; F71-V75 PolarHBondContact O-N 3.09Å; F71-L82 HydrophobicContact CZ-CD2 4.44Å; F71-L84 HydrophobicContact CE1-CD2 3.99Å; F71-V130 HydrophobicContact CB-CG1 4.44Å; F71-L133 HydrophobicContact CB-CD2 3.87Å; F71-L133 HydrophobicContact CD1-CD2 4.06Å; F71-L133 HydrophobicContact CD2-CB 4.11Å; F71-L133 HydrophobicContact CD2-CD2 3.68Å; F71-L133 HydrophobicContact CD2-CG 3.66Å; F71-L133 HydrophobicContact CE2-CD2 4.26Å; F71-L133 HydrophobicContact CE2-CG 3.88Å; F71-L133 HydrophobicContact CG-CD2 3.56Å; F71-L133 HydrophobicContact CG-CG 4.09Å; F71-R134 HydrophobicContact CD2-CG 3.9Å; F71-R134 HydrophobicContact CE2-CG 3.89Å; F71-I137 HydrophobicContact CE2-CG1 4.14Å; F71-I137 HydrophobicContact CZ-CG1 3.9Å
72	C	98	Very high	96.5	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.027	16%	0.164	C	C	.	.	H	α-helix	trans	-55.8	-45.9	178.4	-62.7	0	0	0	0	111.8	I29 V32 F68 S69 S74 V75 K76 L84	I29-C72 HydrophobicContact CG2-CB 3.93Å; V32-C72 HydrophobicContact CG2-CB 4.37Å; V32-C72 VanDerWaalsContact CG2-SG 3.6Å; F68-C72 VanDerWaalsContact CE1-SG 3.51Å; F68-C72 PolarHBondContact O-N 3.15Å; F68-C72 PolarHBondContact O-SG 3.26Å; S69-C72 PolarHBondContact O-N 3.35Å; C72-S74 VanDerWaalsContact C-N 3.31Å; C72-S74 PolarHBondContact O-N 2.95Å; C72-V75 PolarHBondContact O-N 3.44Å; C72-K76 PolarHBondContact O-N 2.79Å; C72-L84 HydrophobicContact CB-CD1 3.83Å
73	R	97	Very high	96.6	Very high	110 Å²	110	35.7 Å²	35.7	42%	0.415	18%	0.177	S	C	.	.	H	α-helix	trans	-59.7	-40.8	174.3	-72.3	-171.5	-76.1	141.5	-13.7	112	E66 S69 Q70 F71 V75 K76 E229	E66-R73 IonicContact OE1-NH2 2.83Å; E66-R73 PolarHBondContact OE1-NH2 3.03Å; S69-R73 WeakPolarHBondContact O-CG 3.23Å; S69-R73 PolarHBondContact O-N 2.85Å; Q70-R73 VanDerWaalsContact CG-NH2 3.32Å; Q70-R73 PolarHBondContact O-N 3.38Å; F71-R73 VanDerWaalsContact C-N 3.33Å; F71-R73 PolarHBondContact O-N 3.33Å; R73-V75 VanDerWaalsContact C-N 3.34Å; R73-V75 PolarHBondContact O-N 2.85Å; R73-K76 WeakPolarHBondContact O-CG 3.35Å; R73-E229 IonicContact NH1-OE1 3.1Å; R73-E229 PolarHBondContact NH1-OE1 3.17Å
74	S	96.8	Very high	96.8	Very high	40 Å²	40	34.9 Å²	34.9	28%	0.28	17%	0.169	S	C	.	.	H	α-helix	trans	-68.4	-28.9	-179.5	83.6	0	0	0	0	113.7	Q70 F71 C72 R134	Q70-S74 WeakPolarHBondContact O-CB 3.42Å; Q70-S74 PolarHBondContact O-N 3.49Å; F71-S74 WeakPolarHBondContact O-CA 3.34Å; F71-S74 WeakPolarHBondContact O-CB 3.13Å; F71-S74 PolarHBondContact O-N 3.31Å; F71-S74 PolarHBondContact O-OG 3.33Å; C72-S74 VanDerWaalsContact C-N 3.31Å; C72-S74 PolarHBondContact O-N 2.95Å; S74-R134 VanDerWaalsContact C-NH1 3.32Å; S74-R134 PolarHBondContact O-NH1 3.45Å; S74-R134 WeakPolarHBondContact OG-CD 3.32Å; S74-R134 PolarHBondContact OG-NH1 2.85Å; S74-R134 VanDerWaalsContact OG-NH1 3.17Å
75	V	97.7	Very high	97	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.03	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	13.8	-178.1	-57.1	0	0	0	0	113	F71 C72 R73 N77 W78 L82 L84 R134	F71-V75 HydrophobicContact CD1-CG2 4.39Å; F71-V75 HydrophobicContact CD2-CG1 4.14Å; F71-V75 HydrophobicContact CE1-CG1 4.41Å; F71-V75 HydrophobicContact CE1-CG2 3.86Å; F71-V75 HydrophobicContact CE2-CG1 3.57Å; F71-V75 HydrophobicContact CZ-CB 4.44Å; F71-V75 HydrophobicContact CZ-CG1 3.72Å; F71-V75 HydrophobicContact CZ-CG2 3.93Å; F71-V75 WeakPolarHBondContact O-CG2 3.39Å; F71-V75 PolarHBondContact O-N 3.09Å; C72-V75 PolarHBondContact O-N 3.44Å; R73-V75 VanDerWaalsContact C-N 3.34Å; R73-V75 PolarHBondContact O-N 2.85Å; V75-N77 PolarHBondContact O-N 2.68Å; V75-W78 HydrophobicContact CB-CB 4.25Å; V75-W78 HydrophobicContact CB-CD2 3.64Å; V75-W78 HydrophobicContact CB-CE3 3.81Å; V75-W78 HydrophobicContact CB-CG 3.85Å; V75-W78 HydrophobicContact CB-CZ3 4.44Å; V75-W78 HydrophobicContact CG1-CD2 3.67Å; V75-W78 HydrophobicContact CG1-CE3 3.58Å; V75-W78 HydrophobicContact CG1-CG 4.39Å; V75-W78 HydrophobicContact CG1-CH2 3.92Å; V75-W78 HydrophobicContact CG1-CZ2 4.02Å; V75-W78 HydrophobicContact CG1-CZ3 3.7Å; V75-W78 VanDerWaalsContact O-CB 3.24Å; V75-W78 WeakPolarHBondContact O-CB 3.5Å; V75-W78 PolarHBondContact O-N 3.48Å; V75-L82 HydrophobicContact CG2-CD2 4.45Å; V75-L84 HydrophobicContact CG2-CD1 4.04Å; V75-L84 HydrophobicContact CG2-CD2 4.35Å; V75-R134 HydrophobicContact CG1-CG 4.15Å
76	K	96.6	Very high	97.1	Very high	136 Å²	136	34.7 Å²	34.7	59%	0.591	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-53	-31.9	-178.9	70.8	-177.4	-176.5	179	0	113.8	C72 R73 W78	C72-K76 PolarHBondContact O-N 2.79Å; R73-K76 WeakPolarHBondContact O-CG 3.35Å; K76-W78 VanDerWaalsContact C-N 3.27Å; K76-W78 PolarHBondContact O-N 3.3Å
77	N	95.4	Very high	97.2	Very high	51 Å²	51	33.3 Å²	33.3	27%	0.273	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-81.3	-4.5	-180	-64.1	-19.9	0	0	0	113.3	V75 N79 W80 D175 P179	V75-N77 PolarHBondContact O-N 2.68Å; N77-N79 VanDerWaalsContact C-N 3.34Å; N77-W80 PolarHBondContact O-NE1 2.97Å; N77-W80 VanDerWaalsContact O-NE1 3.1Å; N77-D175 PolarHBondContact ND2-O 2.96Å; N77-P179 HydrophobicContact CB-CG 3.99Å; N77-P179 VanDerWaalsContact CG-CG 3.48Å; N77-P179 WeakPolarHBondContact ND2-CG 3.28Å
78	W	97.5	Very high	97.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-92.6	2.9	-178.5	-56.5	9	0	0	0	112	V75 K76 W80 V81 L82 R134 I137 V138 L141 L171 L174 D175	V75-W78 HydrophobicContact CB-CB 4.25Å; V75-W78 HydrophobicContact CB-CD2 3.64Å; V75-W78 HydrophobicContact CB-CE3 3.81Å; V75-W78 HydrophobicContact CB-CG 3.85Å; V75-W78 HydrophobicContact CB-CZ3 4.44Å; V75-W78 HydrophobicContact CG1-CD2 3.67Å; V75-W78 HydrophobicContact CG1-CE3 3.58Å; V75-W78 HydrophobicContact CG1-CG 4.39Å; V75-W78 HydrophobicContact CG1-CH2 3.92Å; V75-W78 HydrophobicContact CG1-CZ2 4.02Å; V75-W78 HydrophobicContact CG1-CZ3 3.7Å; V75-W78 VanDerWaalsContact O-CB 3.24Å; V75-W78 WeakPolarHBondContact O-CB 3.5Å; V75-W78 PolarHBondContact O-N 3.48Å; K76-W78 VanDerWaalsContact C-N 3.27Å; K76-W78 PolarHBondContact O-N 3.3Å; W78-W80 PolarHBondContact O-N 3.47Å; W78-V81 WeakPolarHBondContact O-CG1 3.49Å; W78-V81 PolarHBondContact O-N 2.85Å; W78-L82 HydrophobicContact CB-CB 4.32Å; W78-L82 HydrophobicContact CE3-CD2 3.92Å; W78-L82 PolarHBondContact O-N 3.29Å; W78-R134 HydrophobicContact CH2-CB 4.18Å; W78-R134 HydrophobicContact CH2-CG 4.34Å; W78-I137 HydrophobicContact CZ3-CB 4.43Å; W78-I137 HydrophobicContact CZ3-CG2 4.08Å; W78-V138 HydrophobicContact CH2-CG2 3.46Å; W78-V138 VanDerWaalsContact CH2-CG2 3.46Å; W78-V138 HydrophobicContact CZ2-CG2 4.25Å; W78-V138 HydrophobicContact CZ3-CG2 4.02Å; W78-L141 HydrophobicContact CE3-CD1 4.21Å; W78-L141 HydrophobicContact CZ3-CD1 4.3Å; W78-L171 HydrophobicContact CH2-CD2 3.91Å; W78-L171 HydrophobicContact CZ2-CD2 3.79Å; W78-L174 VanDerWaalsContact CD1-C 3.5Å; W78-L174 HydrophobicContact CD2-CB 3.89Å; W78-L174 HydrophobicContact CD2-CD1 4.23Å; W78-L174 HydrophobicContact CD2-CD2 4.44Å; W78-L174 HydrophobicContact CD2-CG 4.43Å; W78-L174 HydrophobicContact CE3-CD1 4.14Å; W78-L174 HydrophobicContact CG-CB 4.06Å; W78-L174 HydrophobicContact CG-CD2 4.49Å; W78-L174 HydrophobicContact CH2-CD1 3.95Å; W78-L174 HydrophobicContact CZ2-CB 3.93Å; W78-L174 HydrophobicContact CZ2-CD1 4.01Å; W78-L174 HydrophobicContact CZ3-CD1 4.01Å; W78-D175 PolarHBondContact NE1-OD1 3.23Å
79	N	95.1	Very high	97.3	Very high	101 Å²	101	33.5 Å²	33.5	54%	0.54	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-17.6	-173.7	65.4	-4.7	0	0	0	115.2	N77 V81 L82 H83	N77-N79 VanDerWaalsContact C-N 3.34Å; N79-V81 VanDerWaalsContact C-N 3.31Å; N79-L82 WeakPolarHBondContact CA-O 3.03Å; N79-H83 PolarHBondContact O-CE1 2.95Å
80	W	95.2	Very high	97.2	Very high	39 Å²	39	33.6 Å²	33.6	15%	0.148	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-14	174.2	59.9	-88.9	0	0	0	113.7	N77 W78 L147 Q148 L149 L153 I173 L174	N77-W80 PolarHBondContact O-NE1 2.97Å; N77-W80 VanDerWaalsContact O-NE1 3.1Å; W78-W80 PolarHBondContact O-N 3.47Å; W80-L147 HydrophobicContact CH2-CB 4.42Å; W80-Q148 WeakPolarHBondContact CZ3-O 3.47Å; W80-L149 HydrophobicContact CB-CD1 4.23Å; W80-L149 HydrophobicContact CD2-CD1 3.67Å; W80-L149 HydrophobicContact CE3-CD1 4.21Å; W80-L149 HydrophobicContact CG-CD1 3.65Å; W80-L153 HydrophobicContact CB-CD1 4.3Å; W80-I173 HydrophobicContact CH2-CG2 4.43Å; W80-L174 HydrophobicContact CH2-CD2 4.27Å; W80-L174 HydrophobicContact CZ2-CD2 3.99Å
81	V	96.5	Very high	97.1	Very high	12 Å²	12	32.7 Å²	32.7	7%	0.073	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	-22.4	179.4	71.1	0	0	0	0	113.8	N48 W78 N79 L141 L147 L174	N48-V81 WeakPolarHBondContact CB-O 2.85Å; N48-V81 PolarHBondContact ND2-O 3.26Å; W78-V81 WeakPolarHBondContact O-CG1 3.49Å; W78-V81 PolarHBondContact O-N 2.85Å; N79-V81 VanDerWaalsContact C-N 3.31Å; V81-L141 HydrophobicContact CG1-CD1 4.47Å; V81-L141 HydrophobicContact CG2-CD2 4.21Å; V81-L147 HydrophobicContact CG2-CD2 4.24Å; V81-L174 HydrophobicContact CG1-CD2 3.46Å; V81-L174 VanDerWaalsContact CG1-CD2 3.46Å
82	L	98.1	Very high	96.7	Very high	6 Å²	6	36 Å²	36	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	120.5	-178.8	-178.3	71.3	0	0	0	111.2	L50 F71 V75 W78 N79 L84 F111 I137 L141	L50-L82 HydrophobicContact CB-CD1 4.18Å; F71-L82 HydrophobicContact CZ-CD2 4.44Å; V75-L82 HydrophobicContact CG2-CD2 4.45Å; W78-L82 HydrophobicContact CB-CB 4.32Å; W78-L82 HydrophobicContact CE3-CD2 3.92Å; W78-L82 PolarHBondContact O-N 3.29Å; N79-L82 WeakPolarHBondContact CA-O 3.03Å; L82-L84 HydrophobicContact CD2-CD2 4.14Å; L82-L84 HydrophobicContact CG-CD2 4.33Å; L82-F111 HydrophobicContact CD1-CD2 4.49Å; L82-F111 HydrophobicContact CD1-CE2 4.07Å; L82-I137 HydrophobicContact CD1-CG2 4.26Å; L82-I137 HydrophobicContact CD2-CG2 3.75Å; L82-L141 HydrophobicContact CD1-CD2 4.47Å
83	H	98.3	Very high	96.5	Very high	70 Å²	70	40 Å²	40	32%	0.324	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	152.5	169.3	-55.6	-57.4	0	0	0	110.7	N48 W49 L50 N79	N48-H83 PolarHBondContact O-N 3.32Å; W49-H83 CarbonylContact C-O 3.58Å; W49-H83 VanDerWaalsContact CA-O 3.31Å; W49-H83 WeakPolarHBondContact CA-O 3.27Å; W49-H83 HydrophobicContact CD2-CB 3.42Å; W49-H83 VanDerWaalsContact CD2-CB 3.42Å; W49-H83 VanDerWaalsContact CE2-CB 3.45Å; W49-H83 AromaticContact CE2-CD2 3.77Å; W49-H83 AromaticContact CE2-CG 3.83Å; W49-H83 HydrophobicContact CE3-CB 3.63Å; W49-H83 HydrophobicContact CG-CB 3.96Å; W49-H83 HydrophobicContact CH2-CB 3.9Å; W49-H83 HydrophobicContact CZ2-CB 3.7Å; W49-H83 AromaticContact CZ2-CG 3.94Å; W49-H83 HydrophobicContact CZ3-CB 3.87Å; W49-H83 AromaticContact NE1-CD2 3.53Å; L50-H83 PolarHBondContact N-O 2.96Å; N79-H83 PolarHBondContact O-CE1 2.95Å
84	L	98.7	Very high	96.5	Very high	18 Å²	18	35.2 Å²	35.2	9%	0.094	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.4	-178.2	-56.8	172.5	0	0	0	109.5	V32 T33 L50 F71 C72 V75 L82	V32-L84 HydrophobicContact CG2-CB 4.1Å; T33-L84 PolarHBondContact N-O 2.79Å; L50-L84 HydrophobicContact CB-CD2 4.1Å; L50-L84 HydrophobicContact CD2-CD2 4.48Å; L50-L84 WeakPolarHBondContact O-CA 3.48Å; F71-L84 HydrophobicContact CE1-CD2 3.99Å; C72-L84 HydrophobicContact CB-CD1 3.83Å; V75-L84 HydrophobicContact CG2-CD1 4.04Å; V75-L84 HydrophobicContact CG2-CD2 4.35Å; L82-L84 HydrophobicContact CD2-CD2 4.14Å; L82-L84 HydrophobicContact CG-CD2 4.33Å
85	G	98.6	Very high	96.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	161.6	180	0	0	0	0	0	113.7	T33 L50 V51 V52	T33-G85 CarbonylContact O-C 3.59Å; T33-G85 WeakPolarHBondContact O-CA 3.37Å; L50-G85 PolarHBondContact O-N 2.95Å; V51-G85 VanDerWaalsContact CA-O 3.3Å; V51-G85 WeakPolarHBondContact CA-O 3.29Å; V52-G85 PolarHBondContact N-O 3.47Å
86	S	98.7	Very high	96	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.4	176.4	68.9	0	0	0	0	111.6	T33 L35 V52	T33-S86 PolarHBondContact O-N 2.86Å; L35-S86 PolarHBondContact N-O 2.66Å; V52-S86 CarbonylContact O-C 3.54Å; V52-S86 WeakPolarHBondContact O-CA 3.35Å
87	V	98.7	Very high	95.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.3	175.4	178	0	0	0	0	109	L35 F40 V51 V52 F53 Y54 C89 N94 L97	L35-V87 HydrophobicContact CB-CG2 3.8Å; F40-V87 HydrophobicContact CD2-CG2 4.32Å; F40-V87 HydrophobicContact CE2-CG2 4.21Å; V51-V87 HydrophobicContact CG1-CG2 3.84Å; V52-V87 PolarHBondContact O-N 2.92Å; F53-V87 WeakPolarHBondContact CA-O 3.15Å; F53-V87 HydrophobicContact CD1-CB 3.66Å; F53-V87 HydrophobicContact CD1-CG1 3.82Å; F53-V87 HydrophobicContact CD1-CG2 4.19Å; F53-V87 HydrophobicContact CE1-CB 3.82Å; F53-V87 HydrophobicContact CE1-CG1 3.92Å; F53-V87 HydrophobicContact CE1-CG2 3.84Å; F53-V87 HydrophobicContact CG-CB 4.32Å; F53-V87 HydrophobicContact CZ-CG2 4.2Å; Y54-V87 WeakPolarHBondContact CD1-O 3.09Å; Y54-V87 PolarHBondContact N-O 3.45Å; V87-C89 PolarHBondContact O-N 3.1Å; V87-N94 HydrophobicContact CG1-CB 4.06Å; V87-L97 HydrophobicContact CG1-CD2 3.88Å; V87-L97 HydrophobicContact CG1-CG 4.44Å; V87-L97 HydrophobicContact CG2-CD2 3.97Å
88	D	98	Very high	96	Very high	18 Å²	18	31.5 Å²	31.5	10%	0.096	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	102.7	173.6	-175.1	8.6	0	0	0	110.2	Y54 R55 K56 E90 D91 N94	Y54-D88 HydrophobicContact CE1-CB 4.1Å; Y54-D88 HydrophobicContact CE2-CB 4.08Å; Y54-D88 CarbonylContact O-C 3.59Å; R55-D88 WeakPolarHBondContact CA-OD1 3.42Å; K56-D88 WeakPolarHBondContact CD-OD2 3.37Å; K56-D88 PolarHBondContact N-OD1 3.31Å; K56-D88 VanDerWaalsContact N-OD1 3.13Å; D88-E90 PolarHBondContact O-N 2.78Å; D88-E90 WeakPolarHBondContact OD1-CB 3.43Å; D88-E90 PolarHBondContact OD1-N 2.63Å; D88-D91 HydrophobicContact CB-CB 4.48Å; D88-D91 WeakPolarHBondContact O-CB 3.35Å; D88-D91 PolarHBondContact O-N 3.49Å; D88-N94 WeakPolarHBondContact O-CB 3.33Å; D88-N94 PolarHBondContact O-ND2 3.05Å
89	C	97.1	Very high	95.7	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.034	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-5.1	176.1	-63.2	0	0	0	0	113.7	Y54 R55 V87 D91 C98	Y54-C89 WeakPolarHBondContact O-CB 3.23Å; Y54-C89 PolarHBondContact O-N 3.3Å; R55-C89 HydrophobicContact CG-CB 4.25Å; R55-C89 PolarHBondContact NH1-O 3.4Å; V87-C89 PolarHBondContact O-N 3.1Å; C89-D91 VanDerWaalsContact C-N 3.34Å; C89-C98 WeakPolarHBondContact CA-SG 3.33Å; C89-C98 HydrophobicContact CB-CB 3.91Å; C89-C98 WeakPolarHBondContact CB-SG 3.25Å; C89-C98 WeakPolarHBondContact SG-CB 3.34Å; C89-C98 CovalentContact SG-SG 2.04Å; C89-C98 PolarHBondContact SG-SG 3.03Å
90	E	95.3	Very high	95.6	Very high	14 Å²	14	33.9 Å²	33.9	7%	0.065	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-23.3	169.1	-160.7	176.7	127.2	0	0	112.2	R55 K56 S57 D88 E92 M261	R55-E90 HydrophobicContact CB-CB 3.94Å; R55-E90 HydrophobicContact CG-CB 4.06Å; K56-E90 WeakPolarHBondContact CE-OE1 3.24Å; K56-E90 HydrophobicContact CG-CB 4.23Å; K56-E90 HydrophobicContact CG-CG 4.42Å; K56-E90 PolarHBondContact N-OE2 2.86Å; S57-E90 VanDerWaalsContact CB-OE2 3.32Å; S57-E90 WeakPolarHBondContact CB-OE2 3.29Å; S57-E90 PolarHBondContact N-OE2 3.42Å; S57-E90 PolarHBondContact OG-OE1 2.73Å; S57-E90 VanDerWaalsContact OG-OE1 3.11Å; S57-E90 PolarHBondContact OG-OE2 3.21Å; D88-E90 PolarHBondContact O-N 2.78Å; D88-E90 WeakPolarHBondContact OD1-CB 3.43Å; D88-E90 PolarHBondContact OD1-N 2.63Å; E90-E92 PolarHBondContact O-N 2.95Å; E90-M261 HydrophobicContact CG-CE 3.44Å; E90-M261 VanDerWaalsContact CG-CE 3.44Å
91	D	94	Very high	95.6	Very high	57 Å²	57	32.4 Å²	32.4	31%	0.305	16%	0.161	S	C	.	.	S	Bend	trans	-73	119.7	170.3	-166.7	-37.5	0	0	0	109.5	D88 C89 T93 N94	D88-D91 HydrophobicContact CB-CB 4.48Å; D88-D91 WeakPolarHBondContact O-CB 3.35Å; D88-D91 PolarHBondContact O-N 3.49Å; C89-D91 VanDerWaalsContact C-N 3.34Å; D91-T93 PolarHBondContact O-N 3.47Å; D91-T93 WeakPolarHBondContact OD1-CB 3.25Å; D91-T93 WeakPolarHBondContact OD1-CG2 3.46Å; D91-T93 PolarHBondContact OD1-N 3.23Å; D91-T93 PolarHBondContact OD1-OG1 3.29Å; D91-N94 WeakPolarHBondContact O-CB 3.22Å; D91-N94 PolarHBondContact O-N 2.93Å
92	E	90.2	Very high	95.4	Very high	68 Å²	68	37.4 Å²	37.4	32%	0.318	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-60.9	-26.5	-179.5	58.6	-174.3	-139.3	0	0	112.9	E90 N94 M95 R257 K333	E90-E92 PolarHBondContact O-N 2.95Å; E92-N94 PolarHBondContact O-N 3.12Å; E92-M95 VanDerWaalsContact O-CB 3.26Å; E92-M95 WeakPolarHBondContact O-CB 3.34Å; E92-M95 PolarHBondContact O-N 2.99Å; E92-R257 IonicContact OE2-CZ 3.29Å; E92-R257 IonicContact OE2-NH1 3.21Å; E92-R257 PolarHBondContact OE2-NH1 3.29Å; E92-R257 IonicContact OE2-NH2 2.88Å; E92-R257 PolarHBondContact OE2-NH2 3.15Å; E92-R257 VanDerWaalsContact OE2-NH2 3.16Å; E92-K333 WeakPolarHBondContact OE1-CD 3.31Å
93	T	93.2	Very high	95.2	Very high	90 Å²	90	37.6 Å²	37.6	55%	0.552	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-67	-22.7	175.4	66.3	0	0	0	0	112.3	P37 D91	P37-T93 VanDerWaalsContact CG-O 3.23Å; P37-T93 WeakPolarHBondContact CG-O 3.4Å; D91-T93 PolarHBondContact O-N 3.47Å; D91-T93 WeakPolarHBondContact OD1-CB 3.25Å; D91-T93 WeakPolarHBondContact OD1-CG2 3.46Å; D91-T93 PolarHBondContact OD1-N 3.23Å; D91-T93 PolarHBondContact OD1-OG1 3.29Å
94	N	96.2	Very high	94.8	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.043	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-93.7	1.1	178.6	-65.4	-33.6	0	0	0	113.2	H36 P37 V87 D88 D91 E92 D96 L97 C98	H36-N94 WeakPolarHBondContact CA-OD1 3.5Å; H36-N94 VanDerWaalsContact CB-OD1 3.31Å; H36-N94 WeakPolarHBondContact CB-OD1 3.43Å; P37-N94 WeakPolarHBondContact CD-OD1 3.2Å; V87-N94 HydrophobicContact CG1-CB 4.06Å; D88-N94 WeakPolarHBondContact O-CB 3.33Å; D88-N94 PolarHBondContact O-ND2 3.05Å; D91-N94 WeakPolarHBondContact O-CB 3.22Å; D91-N94 PolarHBondContact O-N 2.93Å; E92-N94 PolarHBondContact O-N 3.12Å; N94-D96 PolarHBondContact O-N 3.4Å; N94-L97 WeakPolarHBondContact O-CB 3.5Å; N94-L97 PolarHBondContact O-N 3.22Å; N94-L97 VanDerWaalsContact O-N 3.15Å; N94-C98 PolarHBondContact O-N 3.06Å; N94-C98 PolarHBondContact O-SG 3.02Å; N94-C98 VanDerWaalsContact O-SG 3.35Å
95	M	92	Very high	94.5	Very high	21 Å²	21	35.5 Å²	35.5	10%	0.103	17%	0.174	C	C	.	.	H	α-helix	trans	-58.9	-49.9	-170.2	-173.3	173.4	70.2	0	0	112.9	E92 L97 C98 Y99 Q264	E92-M95 VanDerWaalsContact O-CB 3.26Å; E92-M95 WeakPolarHBondContact O-CB 3.34Å; E92-M95 PolarHBondContact O-N 2.99Å; M95-L97 VanDerWaalsContact C-N 3.26Å; M95-L97 PolarHBondContact O-N 3.18Å; M95-C98 PolarHBondContact O-N 3.44Å; M95-C98 VanDerWaalsContact O-N 3.11Å; M95-Y99 HydrophobicContact CE-CE2 4.09Å; M95-Y99 HydrophobicContact CG-CD2 4.07Å; M95-Y99 HydrophobicContact CG-CE1 4.01Å; M95-Y99 HydrophobicContact CG-CE2 3.38Å; M95-Y99 WeakPolarHBondContact CG-OH 3.48Å; M95-Y99 PolarHBondContact O-N 3.41Å; M95-Y99 HydrophobicContact SD-CE2 3.87Å; M95-Y99 PolarHBondContact SD-OH 2.85Å; M95-Q264 HydrophobicContact CE-CG 4.04Å; M95-Q264 HydrophobicContact SD-CG 3.74Å
96	D	92	Very high	94.4	Very high	118 Å²	118	35.7 Å²	35.7	63%	0.631	18%	0.175	S	C	*	.	H	α-helix	trans	-62.7	-34.7	178.6	-67.5	-23.5	0	0	0	112.4	N94 Y99 R100	N94-D96 PolarHBondContact O-N 3.4Å; D96-Y99 PolarHBondContact O-N 3.38Å; D96-R100 WeakPolarHBondContact O-CB 3.49Å; D96-R100 PolarHBondContact O-N 3.31Å
97	L	96.1	Very high	94.3	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.052	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-44.2	174.8	178.3	62.8	0	0	0	110.6	P37 F40 F53 V87 N94 M95 Y99 R100 F101	P37-L97 HydrophobicContact CG-CB 4.27Å; F40-L97 HydrophobicContact CB-CD1 4.3Å; F40-L97 HydrophobicContact CB-CD2 4.22Å; F40-L97 HydrophobicContact CD1-CD1 3.95Å; F40-L97 HydrophobicContact CD2-CD1 3.71Å; F40-L97 HydrophobicContact CD2-CD2 3.56Å; F40-L97 HydrophobicContact CD2-CG 4.18Å; F40-L97 HydrophobicContact CE1-CD1 4.24Å; F40-L97 HydrophobicContact CE2-CD1 4Å; F40-L97 HydrophobicContact CE2-CD2 4.21Å; F40-L97 HydrophobicContact CG-CD1 3.71Å; F40-L97 HydrophobicContact CG-CD2 4.05Å; F40-L97 HydrophobicContact CZ-CD1 4.26Å; F53-L97 HydrophobicContact CE1-CG 4.47Å; V87-L97 HydrophobicContact CG1-CD2 3.88Å; V87-L97 HydrophobicContact CG1-CG 4.44Å; V87-L97 HydrophobicContact CG2-CD2 3.97Å; N94-L97 WeakPolarHBondContact O-CB 3.5Å; N94-L97 PolarHBondContact O-N 3.22Å; N94-L97 VanDerWaalsContact O-N 3.15Å; M95-L97 VanDerWaalsContact C-N 3.26Å; M95-L97 PolarHBondContact O-N 3.18Å; L97-Y99 VanDerWaalsContact C-N 3.32Å; L97-Y99 PolarHBondContact O-N 3.17Å; L97-R100 PolarHBondContact O-N 3.17Å; L97-F101 HydrophobicContact CD1-CD2 3.86Å; L97-F101 HydrophobicContact CD1-CE2 3.63Å; L97-F101 HydrophobicContact CG-CD2 4.48Å; L97-F101 WeakPolarHBondContact O-CD2 3.39Å; L97-F101 PolarHBondContact O-N 3.24Å
98	C	96	Very high	94.2	Very high	6 Å²	6	37 Å²	37	4%	0.041	18%	0.183	C	C	.	.	H	α-helix	trans	-65.2	-34.8	175.7	-63.2	0	0	0	0	112.4	C89 N94 M95 F101 K102 V103	C89-C98 WeakPolarHBondContact CA-SG 3.33Å; C89-C98 HydrophobicContact CB-CB 3.91Å; C89-C98 WeakPolarHBondContact CB-SG 3.25Å; C89-C98 WeakPolarHBondContact SG-CB 3.34Å; C89-C98 CovalentContact SG-SG 2.04Å; C89-C98 PolarHBondContact SG-SG 3.03Å; N94-C98 PolarHBondContact O-N 3.06Å; N94-C98 PolarHBondContact O-SG 3.02Å; N94-C98 VanDerWaalsContact O-SG 3.35Å; M95-C98 PolarHBondContact O-N 3.44Å; M95-C98 VanDerWaalsContact O-N 3.11Å; C98-F101 CarbonylContact O-C 3.47Å; C98-F101 PolarHBondContact O-N 3.17Å; C98-K102 PolarHBondContact O-N 2.9Å; C98-V103 HydrophobicContact CB-CB 4.35Å; C98-V103 HydrophobicContact CB-CG2 4.34Å; C98-V103 WeakPolarHBondContact O-CG2 3.45Å; C98-V103 PolarHBondContact O-N 2.98Å
99	Y	92.7	Very high	94.2	Very high	25 Å²	25	36.1 Å²	36.1	10%	0.098	18%	0.178	C	C	.	.	H	α-helix	trans	-68.4	-42.4	172.9	-63.8	-19.4	0	0	0	112.7	M95 D96 L97 F101 K102 Q264 G268 A269 V321	M95-Y99 HydrophobicContact CE-CE2 4.09Å; M95-Y99 HydrophobicContact CG-CD2 4.07Å; M95-Y99 HydrophobicContact CG-CE1 4.01Å; M95-Y99 HydrophobicContact CG-CE2 3.38Å; M95-Y99 WeakPolarHBondContact CG-OH 3.48Å; M95-Y99 PolarHBondContact O-N 3.41Å; M95-Y99 HydrophobicContact SD-CE2 3.87Å; M95-Y99 PolarHBondContact SD-OH 2.85Å; D96-Y99 PolarHBondContact O-N 3.38Å; L97-Y99 VanDerWaalsContact C-N 3.32Å; L97-Y99 PolarHBondContact O-N 3.17Å; Y99-F101 PolarHBondContact O-N 3.37Å; Y99-K102 PolarHBondContact O-N 3.18Å; Y99-Q264 PolarHBondContact OH-O 2.77Å; Y99-G268 VanDerWaalsContact CE1-C 3.48Å; Y99-A269 HydrophobicContact CE1-CB 4.07Å; Y99-V321 HydrophobicContact CE2-CG2 4.22Å
100	R	92.8	Very high	94.3	Very high	126 Å²	126	37.2 Å²	37.2	48%	0.475	18%	0.182	S	C	.	.	H	α-helix	trans	-54.9	-38.7	174.4	172.6	176.4	165.5	-175.1	-9.6	111.8	D41 D96 L97 K102	D41-R100 VanDerWaalsContact CG-NH1 3.35Å; D41-R100 IonicContact OD1-CZ 3.08Å; D41-R100 VanDerWaalsContact OD1-CZ 3.24Å; D41-R100 IonicContact OD1-NH1 3.58Å; D41-R100 PolarHBondContact OD1-NH1 3.44Å; D41-R100 IonicContact OD1-NH2 3.8Å; D41-R100 PolarHBondContact OD1-NH2 3.12Å; D41-R100 IonicContact OD2-NH1 2.86Å; D41-R100 PolarHBondContact OD2-NH1 2.88Å; D41-R100 VanDerWaalsContact OD2-NH1 3.1Å; D96-R100 WeakPolarHBondContact O-CB 3.49Å; D96-R100 PolarHBondContact O-N 3.31Å; L97-R100 PolarHBondContact O-N 3.17Å; R100-K102 VanDerWaalsContact C-N 3.34Å
101	F	94.6	Very high	94.4	Very high	8 Å²	8	36.6 Å²	36.6	4%	0.035	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	10.1	177.2	-74.8	-77.1	0	0	0	114.4	F40 F53 L97 C98 Y99 V103 R110 L112	F40-F101 HydrophobicContact CD1-CE2 4.33Å; F40-F101 AromaticContact CE1-CE2 3.43Å; F40-F101 HydrophobicContact CE1-CE2 3.43Å; F40-F101 VanDerWaalsContact CE1-CE2 3.43Å; F40-F101 AromaticContact CE1-CZ 3.45Å; F40-F101 HydrophobicContact CE1-CZ 3.45Å; F40-F101 VanDerWaalsContact CE1-CZ 3.45Å; F40-F101 HydrophobicContact CE2-CE2 4.01Å; F40-F101 HydrophobicContact CE2-CZ 4.47Å; F40-F101 HydrophobicContact CZ-CD2 4.23Å; F40-F101 HydrophobicContact CZ-CE1 4.39Å; F40-F101 AromaticContact CZ-CE2 3.24Å; F40-F101 HydrophobicContact CZ-CE2 3.24Å; F40-F101 AromaticContact CZ-CZ 3.35Å; F40-F101 HydrophobicContact CZ-CZ 3.35Å; F53-F101 HydrophobicContact CE1-CB 4.05Å; F53-F101 AromaticContact CE1-CD2 3.92Å; F53-F101 HydrophobicContact CE1-CD2 3.92Å; F53-F101 HydrophobicContact CE1-CG 4.16Å; F53-F101 HydrophobicContact CE2-CB 4.34Å; F53-F101 HydrophobicContact CE2-CG 4.26Å; F53-F101 HydrophobicContact CZ-CB 3.81Å; F53-F101 HydrophobicContact CZ-CD1 4.3Å; F53-F101 AromaticContact CZ-CD2 3.52Å; F53-F101 HydrophobicContact CZ-CD2 3.52Å; F53-F101 HydrophobicContact CZ-CE2 4.21Å; F53-F101 AromaticContact CZ-CG 3.58Å; F53-F101 HydrophobicContact CZ-CG 3.58Å; L97-F101 HydrophobicContact CD1-CD2 3.86Å; L97-F101 HydrophobicContact CD1-CE2 3.63Å; L97-F101 HydrophobicContact CG-CD2 4.48Å; L97-F101 WeakPolarHBondContact O-CD2 3.39Å; L97-F101 PolarHBondContact O-N 3.24Å; C98-F101 CarbonylContact O-C 3.47Å; C98-F101 PolarHBondContact O-N 3.17Å; Y99-F101 PolarHBondContact O-N 3.37Å; F101-V103 VanDerWaalsContact C-N 3.28Å; F101-V103 HydrophobicContact CB-CG2 4.14Å; F101-V103 PolarHBondContact O-N 2.88Å; F101-R110 HydrophobicContact CB-CG 4.48Å; F101-R110 HydrophobicContact CD1-CG 4.12Å; F101-R110 VanDerWaalsContact O-CZ 3.26Å; F101-R110 PolarHBondContact O-NE 3Å; F101-R110 PolarHBondContact O-NH2 3.25Å; F101-L112 HydrophobicContact CE1-CD2 3.45Å; F101-L112 VanDerWaalsContact CE1-CD2 3.45Å; F101-L112 HydrophobicContact CE1-CG 4.45Å; F101-L112 HydrophobicContact CZ-CD2 3.47Å; F101-L112 VanDerWaalsContact CZ-CD2 3.47Å
102	K	92.2	Very high	94.6	Very high	116 Å²	116	34 Å²	34	50%	0.504	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	48.8	177.7	-60.6	-178.5	161.7	-139.1	0	112.5	C98 Y99 R100 Q104 R110 D271	C98-K102 PolarHBondContact O-N 2.9Å; Y99-K102 PolarHBondContact O-N 3.18Å; R100-K102 VanDerWaalsContact C-N 3.34Å; K102-Q104 PolarHBondContact O-N 3.48Å; K102-R110 PolarHBondContact O-NH2 3.36Å; K102-D271 WeakPolarHBondContact CD-OD2 3.3Å; K102-D271 IonicContact NZ-OD2 3.21Å; K102-D271 PolarHBondContact NZ-OD2 3.01Å
103	V	94.4	Very high	94.9	Very high	11 Å²	11	32.3 Å²	32.3	7%	0.067	16%	0.157	C	C	.	.			trans	-75.5	89.4	-179.8	-178.8	0	0	0	0	109	F53 C98 F101 G105 V106	F53-V103 HydrophobicContact CB-CG1 4.04Å; F53-V103 HydrophobicContact CB-CG2 3.79Å; F53-V103 HydrophobicContact CD1-CG2 3.62Å; F53-V103 HydrophobicContact CD2-CG2 4.33Å; F53-V103 HydrophobicContact CE1-CG2 4.26Å; F53-V103 HydrophobicContact CG-CG2 3.65Å; C98-V103 HydrophobicContact CB-CB 4.35Å; C98-V103 HydrophobicContact CB-CG2 4.34Å; C98-V103 WeakPolarHBondContact O-CG2 3.45Å; C98-V103 PolarHBondContact O-N 2.98Å; F101-V103 VanDerWaalsContact C-N 3.28Å; F101-V103 HydrophobicContact CB-CG2 4.14Å; F101-V103 PolarHBondContact O-N 2.88Å; V103-G105 WeakPolarHBondContact CG1-O 3.38Å; V103-V106 HydrophobicContact CG1-CG1 3.86Å
104	Q	89.7	Confident	94.8	Very high	40 Å²	40	30.8 Å²	30.8	19%	0.187	15%	0.148	C	C	.	.			trans	-85.8	-10	-178.7	-63	-177.5	4	0	0	114.2	K102 D271	K102-Q104 PolarHBondContact O-N 3.48Å; Q104-D271 VanDerWaalsContact NE2-CB 3.33Å; Q104-D271 PolarHBondContact NE2-OD1 3.42Å; Q104-D271 PolarHBondContact NE2-OD2 2.94Å
105	G	92.9	Very high	94.5	Very high	4 Å²	4	36.1 Å²	36.1	4%	0.041	17%	0.17	C	C	.	.	S	Bend	trans	-157	157.1	-178.4	0	0	0	0	0	110.8	V103 T108 S392	V103-G105 WeakPolarHBondContact CG1-O 3.38Å; G105-T108 PolarHBondContact O-OG1 3.46Å; G105-S392 VanDerWaalsContact CA-O 3.31Å; G105-S392 WeakPolarHBondContact CA-O 3.16Å
106	V	95.9	Very high	94.2	Very high	4 Å²	4	42 Å²	42	2%	0.024	20%	0.202	C	C	.	.	S	Bend	trans	-130.3	143.2	177.1	-67.1	0	0	0	0	112.5	R55 C58 V103 S392	R55-V106 HydrophobicContact CB-CG2 4.28Å; R55-V106 HydrophobicContact CG-CG1 4.25Å; R55-V106 HydrophobicContact CG-CG2 4.07Å; C58-V106 HydrophobicContact CB-CG2 4.42Å; V103-V106 HydrophobicContact CG1-CG1 3.86Å; V106-S392 PolarHBondContact N-O 3.24Å
107	P	96.6	Very high	93.9	Very high	14 Å²	14	42.3 Å²	42.3	9%	0.091	21%	0.214	C	C	.	.	S	Bend	cis	-74.5	147.7	-2.3	32.6	-33.8	0	0	0	112.4	V52 F53 H60 Y64 A126	V52-P107 HydrophobicContact CG2-CB 4.26Å; F53-P107 CarbonylContact O-C 3.58Å; F53-P107 WeakPolarHBondContact O-CA 3.46Å; H60-P107 WeakPolarHBondContact CD2-CD 3.4Å; Y64-P107 HydrophobicContact CD1-CB 3.95Å; Y64-P107 HydrophobicContact CD1-CG 3.6Å; Y64-P107 HydrophobicContact CE1-CB 4.45Å; Y64-P107 HydrophobicContact CE1-CG 4.26Å; Y64-P107 HydrophobicContact CG-CG 3.84Å; P107-A126 HydrophobicContact CG-CB 4.17Å
108	T	96.6	Very high	93.5	Very high	13 Å²	13	49.3 Å²	49.3	8%	0.08	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.1	172.3	-74.5	0	0	0	0	109.2	F53 G105 R110 E123	F53-T108 PolarHBondContact N-O 3.05Å; F53-T108 PolarHBondContact O-N 3.3Å; G105-T108 PolarHBondContact O-OG1 3.46Å; T108-R110 HydrophobicContact CG2-CG 4.31Å; T108-E123 HydrophobicContact CG2-CG 4.43Å
109	L	98.1	Very high	93.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.1	171.2	-60.3	-178.2	0	0	0	110.4	L50 V51 V52 F68 E123 I124 A126 L133	L50-L109 HydrophobicContact CD1-CB 4.08Å; L50-L109 HydrophobicContact CD1-CD1 4.44Å; V51-L109 WeakPolarHBondContact O-CA 3.46Å; V52-L109 HydrophobicContact CB-CD2 3.57Å; V52-L109 HydrophobicContact CG2-CD2 3.77Å; F68-L109 HydrophobicContact CD2-CD2 4.23Å; F68-L109 HydrophobicContact CE2-CD2 3.85Å; L109-E123 WeakPolarHBondContact O-CA 3.48Å; L109-I124 HydrophobicContact CB-CB 3.98Å; L109-I124 WeakPolarHBondContact CB-O 3.46Å; L109-I124 HydrophobicContact CD1-CG2 4.45Å; L109-I124 PolarHBondContact O-N 3.15Å; L109-A126 HydrophobicContact CG-CB 4.38Å; L109-L133 HydrophobicContact CD1-CD1 3.84Å; L109-L133 HydrophobicContact CD1-CD2 4.37Å
110	R	98	Very high	93.4	Very high	28 Å²	28	54 Å²	54	11%	0.106	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.9	170.2	-65.3	-70.9	-171.6	-149.6	-6.8	109.5	V51 F53 F101 K102 T108 G122 E123	V51-R110 PolarHBondContact N-O 3.42Å; V51-R110 PolarHBondContact O-N 2.68Å; F53-R110 HydrophobicContact CD2-CB 4.41Å; F53-R110 HydrophobicContact CD2-CG 3.97Å; F53-R110 HydrophobicContact CE2-CB 3.86Å; F53-R110 HydrophobicContact CE2-CG 3.63Å; F101-R110 HydrophobicContact CB-CG 4.48Å; F101-R110 HydrophobicContact CD1-CG 4.12Å; F101-R110 VanDerWaalsContact O-CZ 3.26Å; F101-R110 PolarHBondContact O-NE 3Å; F101-R110 PolarHBondContact O-NH2 3.25Å; K102-R110 PolarHBondContact O-NH2 3.36Å; T108-R110 HydrophobicContact CG2-CG 4.31Å; R110-G122 WeakPolarHBondContact CA-O 3.42Å; R110-E123 IonicContact CZ-OE2 2.7Å; R110-E123 IonicContact NH1-OE2 2.74Å; R110-E123 PolarHBondContact NH1-OE2 3.08Å; R110-E123 IonicContact NH2-OE2 2.7Å; R110-E123 PolarHBondContact NH2-OE2 3Å
111	F	98.3	Very high	93.6	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.009	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	117.6	167.1	-180	-94.8	0	0	0	108.8	N48 W49 L82 F113 S121 G122 I124 K140 L141 V144	N48-F111 HydrophobicContact CB-CE2 4.01Å; N48-F111 HydrophobicContact CB-CZ 3.81Å; W49-F111 CarbonylContact O-C 3.44Å; W49-F111 VanDerWaalsContact O-CA 3.29Å; W49-F111 WeakPolarHBondContact O-CA 3.42Å; L82-F111 HydrophobicContact CD1-CD2 4.49Å; L82-F111 HydrophobicContact CD1-CE2 4.07Å; F111-F113 AromaticContact CD1-CD1 3.87Å; F111-F113 HydrophobicContact CD1-CD1 3.87Å; F111-F113 HydrophobicContact CE1-CB 4.01Å; F111-F113 AromaticContact CE1-CD1 3.75Å; F111-F113 HydrophobicContact CE1-CD1 3.75Å; F111-F113 HydrophobicContact CE1-CG 4.18Å; F111-S121 CarbonylContact O-C 3.06Å; F111-S121 VanDerWaalsContact O-CA 3.27Å; F111-S121 WeakPolarHBondContact O-CA 3.42Å; F111-G122 PolarHBondContact N-O 3.2Å; F111-G122 PolarHBondContact O-N 2.91Å; F111-I124 HydrophobicContact CB-CD1 3.95Å; F111-I124 HydrophobicContact CB-CG1 3.75Å; F111-K140 HydrophobicContact CD1-CB 3.87Å; F111-K140 HydrophobicContact CD1-CG 4.23Å; F111-K140 HydrophobicContact CD2-CB 4.21Å; F111-K140 HydrophobicContact CE1-CB 3.8Å; F111-K140 HydrophobicContact CE2-CB 4.14Å; F111-K140 HydrophobicContact CG-CB 4.07Å; F111-K140 HydrophobicContact CG-CG 4.26Å; F111-K140 HydrophobicContact CZ-CB 3.94Å; F111-L141 HydrophobicContact CE2-CD2 3.89Å; F111-L141 HydrophobicContact CE2-CG 4.18Å; F111-L141 HydrophobicContact CZ-CD2 3.88Å; F111-L141 HydrophobicContact CZ-CG 4.32Å; F111-V144 HydrophobicContact CE1-CG1 4.49Å; F111-V144 HydrophobicContact CE1-CG2 3.71Å; F111-V144 HydrophobicContact CZ-CG2 3.8Å
112	L	97.9	Very high	93.6	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	143.9	177.7	-46.5	101.4	0	0	0	110.8	F40 N48 W49 V51 F101 Q119 M120	F40-L112 HydrophobicContact CE1-CD2 4.12Å; F40-L112 HydrophobicContact CZ-CD2 3.81Å; N48-L112 CarbonylContact C-O 3.49Å; N48-L112 VanDerWaalsContact CA-O 3.29Å; N48-L112 WeakPolarHBondContact CA-O 3.36Å; W49-L112 HydrophobicContact CB-CB 4.19Å; W49-L112 HydrophobicContact CB-CD1 3.74Å; W49-L112 PolarHBondContact N-O 3.04Å; W49-L112 PolarHBondContact O-N 2.81Å; V51-L112 HydrophobicContact CB-CD1 3.88Å; V51-L112 HydrophobicContact CG2-CD1 3.3Å; F101-L112 HydrophobicContact CE1-CD2 3.45Å; F101-L112 VanDerWaalsContact CE1-CD2 3.45Å; F101-L112 HydrophobicContact CE1-CG 4.45Å; F101-L112 HydrophobicContact CZ-CD2 3.47Å; F101-L112 VanDerWaalsContact CZ-CD2 3.47Å; L112-Q119 HydrophobicContact CB-CG 4.41Å; L112-Q119 HydrophobicContact CD2-CG 4.07Å; L112-M120 VanDerWaalsContact CA-O 3.26Å; L112-M120 WeakPolarHBondContact CA-O 3.33Å
113	F	96.4	Very high	93.7	Very high	33 Å²	33	50.5 Å²	50.5	15%	0.145	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	156.6	176.9	64	-80.6	0	0	0	109.7	N48 F111 K115 M120 V144	N48-F113 WeakPolarHBondContact OD1-CB 3.43Å; F111-F113 AromaticContact CD1-CD1 3.87Å; F111-F113 HydrophobicContact CD1-CD1 3.87Å; F111-F113 HydrophobicContact CE1-CB 4.01Å; F111-F113 AromaticContact CE1-CD1 3.75Å; F111-F113 HydrophobicContact CE1-CD1 3.75Å; F111-F113 HydrophobicContact CE1-CG 4.18Å; F113-K115 HydrophobicContact CD2-CB 4.36Å; F113-K115 HydrophobicContact CE2-CB 4.07Å; F113-K115 HydrophobicContact CE2-CD 4.46Å; F113-M120 HydrophobicContact CD1-CB 4.01Å; F113-M120 HydrophobicContact CD2-CB 4.13Å; F113-M120 HydrophobicContact CE1-CB 3.54Å; F113-M120 HydrophobicContact CE2-CB 3.68Å; F113-M120 HydrophobicContact CE2-CG 4.01Å; F113-M120 HydrophobicContact CE2-SD 3.59Å; F113-M120 VanDerWaalsContact CE2-SD 3.59Å; F113-M120 HydrophobicContact CG-CB 4.3Å; F113-M120 HydrophobicContact CZ-CB 3.36Å; F113-M120 HydrophobicContact CZ-CE 4.1Å; F113-M120 HydrophobicContact CZ-CG 4.01Å; F113-M120 HydrophobicContact CZ-SD 3.61Å; F113-M120 PolarHBondContact N-O 2.9Å; F113-M120 VanDerWaalsContact N-O 3.08Å; F113-M120 PolarHBondContact O-N 3.21Å; F113-V144 HydrophobicContact CB-CB 4.33Å; F113-V144 HydrophobicContact CB-CG2 4Å; F113-V144 HydrophobicContact CD1-CG1 4.13Å; F113-V144 HydrophobicContact CD2-CB 3.82Å; F113-V144 HydrophobicContact CD2-CG1 3.72Å; F113-V144 HydrophobicContact CD2-CG2 4.42Å; F113-V144 HydrophobicContact CE1-CG1 4.15Å; F113-V144 HydrophobicContact CE2-CB 4.27Å; F113-V144 HydrophobicContact CE2-CG1 3.73Å; F113-V144 HydrophobicContact CG-CB 4.04Å; F113-V144 HydrophobicContact CG-CG1 3.92Å; F113-V144 HydrophobicContact CG-CG2 4.16Å; F113-V144 HydrophobicContact CZ-CG1 3.95Å
114	T	92.4	Very high	93.7	Very high	58 Å²	58	50.4 Å²	50.4	36%	0.356	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.9	179.9	-59.5	0	0	0	0	110.8	S45	S45-T114 PolarHBondContact O-OG1 2.85Å
115	K	88.3	Confident	93.8	Very high	120 Å²	120	53 Å²	53	52%	0.522	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	125.9	174.1	-171.6	-179.8	-175.3	175.2	0	109.5	F113 S117 K118 M120	F113-K115 HydrophobicContact CD2-CB 4.36Å; F113-K115 HydrophobicContact CE2-CB 4.07Å; F113-K115 HydrophobicContact CE2-CD 4.46Å; K115-S117 VanDerWaalsContact C-N 3.29Å; K115-S117 PolarHBondContact O-N 2.84Å; K115-K118 PolarHBondContact N-O 2.98Å; K115-K118 PolarHBondContact O-N 2.89Å; K115-K118 VanDerWaalsContact O-O 3.07Å; K115-M120 HydrophobicContact CB-CG 4.04Å; K115-M120 HydrophobicContact CB-SD 3.61Å; K115-M120 HydrophobicContact CD-SD 3.5Å; K115-M120 VanDerWaalsContact CD-SD 3.5Å; K115-M120 HydrophobicContact CG-SD 4.14Å
116	N	87	Confident	93.8	Very high	145 Å²	145	54.1 Å²	54.1	78%	0.775	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	44.9	-178	-57.4	-18.1	0	0	0	112.9	K118	N116-K118 PolarHBondContact O-N 3.46Å
117	S	84.5	Confident	93.7	Very high	124 Å²	124	55.7 Å²	55.7	87%	0.867	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	16.1	-176	-48.1	0	0	0	0	115	K115	K115-S117 VanDerWaalsContact C-N 3.29Å; K115-S117 PolarHBondContact O-N 2.84Å
118	K	89	Confident	93.6	Very high	156 Å²	156	58.5 Å²	58.5	68%	0.678	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	134.3	172.6	-65.2	-174	-179.9	-176.7	0	109.4	K115 N116 M120	K115-K118 PolarHBondContact N-O 2.98Å; K115-K118 PolarHBondContact O-N 2.89Å; K115-K118 VanDerWaalsContact O-O 3.07Å; N116-K118 PolarHBondContact O-N 3.46Å; K118-M120 PolarHBondContact O-N 2.86Å
119	Q	91.8	Very high	93.5	Very high	53 Å²	53	61.5 Å²	61.5	25%	0.248	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	124.9	169.5	-177.6	179.7	87.2	0	0	109.2	T44 L112	T44-Q119 VanDerWaalsContact CB-NE2 3.28Å; T44-Q119 PolarHBondContact O-NE2 3.28Å; T44-Q119 PolarHBondContact OG1-NE2 3Å; L112-Q119 HydrophobicContact CB-CG 4.41Å; L112-Q119 HydrophobicContact CD2-CG 4.07Å
120	M	95	Very high	93.5	Very high	78 Å²	78	62.9 Å²	62.9	38%	0.384	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	154.8	169.7	-64.4	-162.9	70	0	0	109.3	L112 F113 K115 K118	L112-M120 VanDerWaalsContact CA-O 3.26Å; L112-M120 WeakPolarHBondContact CA-O 3.33Å; F113-M120 HydrophobicContact CD1-CB 4.01Å; F113-M120 HydrophobicContact CD2-CB 4.13Å; F113-M120 HydrophobicContact CE1-CB 3.54Å; F113-M120 HydrophobicContact CE2-CB 3.68Å; F113-M120 HydrophobicContact CE2-CG 4.01Å; F113-M120 HydrophobicContact CE2-SD 3.59Å; F113-M120 VanDerWaalsContact CE2-SD 3.59Å; F113-M120 HydrophobicContact CG-CB 4.3Å; F113-M120 HydrophobicContact CZ-CB 3.36Å; F113-M120 HydrophobicContact CZ-CE 4.1Å; F113-M120 HydrophobicContact CZ-CG 4.01Å; F113-M120 HydrophobicContact CZ-SD 3.61Å; F113-M120 PolarHBondContact N-O 2.9Å; F113-M120 VanDerWaalsContact N-O 3.08Å; F113-M120 PolarHBondContact O-N 3.21Å; K115-M120 HydrophobicContact CB-CG 4.04Å; K115-M120 HydrophobicContact CB-SD 3.61Å; K115-M120 HydrophobicContact CD-SD 3.5Å; K115-M120 VanDerWaalsContact CD-SD 3.5Å; K115-M120 HydrophobicContact CG-SD 4.14Å; K118-M120 PolarHBondContact O-N 2.86Å
121	S	95.1	Very high	93.4	Very high	59 Å²	59	65.6 Å²	65.6	41%	0.413	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	149.4	172.1	68.1	0	0	0	0	111.3	F111	F111-S121 CarbonylContact O-C 3.06Å; F111-S121 VanDerWaalsContact O-CA 3.27Å; F111-S121 WeakPolarHBondContact O-CA 3.42Å
122	G	94.8	Very high	93.3	Very high	22 Å²	22	69.3 Å²	69.3	23%	0.227	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	150.4	171	0	0	0	0	0	110.6	R110 F111	R110-G122 WeakPolarHBondContact CA-O 3.42Å; F111-G122 PolarHBondContact N-O 3.2Å; F111-G122 PolarHBondContact O-N 2.91Å
123	E	94.8	Very high	93.2	Very high	94 Å²	94	69.3 Å²	69.3	44%	0.439	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	146.4	172.9	-149.5	159.4	119	0	0	111.8	T108 L109 R110	T108-E123 HydrophobicContact CG2-CG 4.43Å; L109-E123 WeakPolarHBondContact O-CA 3.48Å; R110-E123 IonicContact CZ-OE2 2.7Å; R110-E123 IonicContact NH1-OE2 2.74Å; R110-E123 PolarHBondContact NH1-OE2 3.08Å; R110-E123 IonicContact NH2-OE2 2.7Å; R110-E123 PolarHBondContact NH2-OE2 3Å
124	I	95	Very high	93.3	Very high	10 Å²	10	69 Å²	69	5%	0.051	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.8	165.9	-51	-64.1	0	0	0	107	L50 L109 F111 A126 L133 I137 K140	L50-I124 HydrophobicContact CD1-CG1 4.22Å; L109-I124 HydrophobicContact CB-CB 3.98Å; L109-I124 WeakPolarHBondContact CB-O 3.46Å; L109-I124 HydrophobicContact CD1-CG2 4.45Å; L109-I124 PolarHBondContact O-N 3.15Å; F111-I124 HydrophobicContact CB-CD1 3.95Å; F111-I124 HydrophobicContact CB-CG1 3.75Å; I124-A126 PolarHBondContact O-N 2.88Å; I124-L133 HydrophobicContact CG2-CD1 3.95Å; I124-I137 HydrophobicContact CD1-CD1 4.41Å; I124-I137 HydrophobicContact CG1-CD1 4.02Å; I124-I137 HydrophobicContact CG2-CD1 4.05Å; I124-K140 HydrophobicContact CD1-CD 4Å; I124-K140 HydrophobicContact CD1-CG 3.48Å; I124-K140 VanDerWaalsContact CD1-CG 3.48Å
125	S	92.4	Very high	93.5	Very high	93 Å²	93	69.5 Å²	69.5	65%	0.65	38%	0.375	S	S	*	.			trans	-59.8	133.5	173	-57.8	0	0	0	0	109.9	E127	S125-E127 PolarHBondContact O-N 2.79Å
126	A	92.9	Very high	93.9	Very high	29 Å²	29	66.1 Å²	66.1	24%	0.24	37%	0.366	C	S	.	.			trans	-73.6	68.3	177	0	0	0	0	0	110.9	Y64 P107 L109 I124	Y64-A126 HydrophobicContact CE1-CB 4.19Å; Y64-A126 HydrophobicContact CE2-CB 4.1Å; Y64-A126 WeakPolarHBondContact CE2-O 3.24Å; P107-A126 HydrophobicContact CG-CB 4.17Å; L109-A126 HydrophobicContact CG-CB 4.38Å; I124-A126 PolarHBondContact O-N 2.88Å
127	E	93.6	Very high	94.4	Very high	37 Å²	37	59.2 Å²	59.2	17%	0.173	33%	0.329	C	S	.	.			trans	-74.2	132.4	-176.3	178.1	52.8	-103.1	0	0	111.7	Y64 S125 N129 L132 L133	Y64-E127 PolarHBondContact OH-O 3.4Å; S125-E127 PolarHBondContact O-N 2.79Å; E127-N129 HydrophobicContact CG-CB 4.24Å; E127-N129 WeakPolarHBondContact OE1-CB 3.46Å; E127-N129 PolarHBondContact OE1-N 2.9Å; E127-L132 HydrophobicContact CG-CB 3.54Å; E127-L132 HydrophobicContact CG-CD1 4.35Å; E127-L133 HydrophobicContact CB-CB 4.19Å; E127-L133 HydrophobicContact CG-CB 4.46Å
128	R	94.2	Very high	95.1	Very high	72 Å²	72	53.3 Å²	53.3	27%	0.272	29%	0.288	S	S	.	.	S	Bend	trans	-81.4	-29.9	179.2	-69.7	-178.3	175.9	-92.1	-2.5	112.3	S63 Y64 P67 V130 E426	S63-R128 PolarHBondContact O-NH1 3.14Å; S63-R128 PolarHBondContact OG-NH1 3.19Å; S63-R128 VanDerWaalsContact OG-NH1 3.12Å; S63-R128 PolarHBondContact OG-NH2 2.85Å; Y64-R128 HydrophobicContact CD2-CG 4.03Å; Y64-R128 HydrophobicContact CE2-CG 4.25Å; P67-R128 HydrophobicContact CB-CB 4.3Å; P67-R128 HydrophobicContact CB-CG 4.45Å; P67-R128 HydrophobicContact CG-CB 4.38Å; P67-R128 HydrophobicContact CG-CG 4.29Å; R128-V130 PolarHBondContact O-N 2.96Å; R128-E426 IonicContact CZ-OE1 3.27Å; R128-E426 IonicContact NE-OE1 3.52Å; R128-E426 PolarHBondContact NE-OE1 3.03Å; R128-E426 IonicContact NH2-OE1 3.16Å; R128-E426 PolarHBondContact NH2-OE1 3.27Å
129	N	95.2	Very high	95.4	Very high	77 Å²	77	48.5 Å²	48.5	41%	0.412	27%	0.274	S	S	.	.	S	Bend	trans	-74	110.3	175.8	-174.6	-56.8	0	0	0	109.9	E127 T131 L132 L133	E127-N129 HydrophobicContact CG-CB 4.24Å; E127-N129 WeakPolarHBondContact OE1-CB 3.46Å; E127-N129 PolarHBondContact OE1-N 2.9Å; N129-T131 PolarHBondContact O-N 3.4Å; N129-T131 VanDerWaalsContact O-N 3.17Å; N129-T131 WeakPolarHBondContact OD1-CA 3.1Å; N129-T131 VanDerWaalsContact OD1-CB 3.25Å; N129-T131 WeakPolarHBondContact OD1-CB 3.41Å; N129-T131 PolarHBondContact OD1-N 2.85Å; N129-L132 HydrophobicContact CB-CB 4.13Å; N129-L132 HydrophobicContact CB-CD1 3.98Å; N129-L132 HydrophobicContact CB-CG 4.01Å; N129-L132 PolarHBondContact O-N 3.14Å; N129-L132 PolarHBondContact OD1-N 3.45Å; N129-L133 PolarHBondContact O-N 3.13Å
130	V	96.7	Very high	95.6	Very high	29 Å²	29	49.9 Å²	49.9	18%	0.176	28%	0.279	C	S	.	.	H	α-helix	trans	-53.9	-39.2	-177.6	174.8	0	0	0	0	112.3	Q70 F71 R128 L133 R134	Q70-V130 HydrophobicContact CB-CG2 3.7Å; F71-V130 HydrophobicContact CB-CG1 4.44Å; R128-V130 PolarHBondContact O-N 2.96Å; V130-L133 PolarHBondContact O-N 2.9Å; V130-R134 HydrophobicContact CG1-CG 4.25Å; V130-R134 WeakPolarHBondContact O-CB 3.18Å; V130-R134 WeakPolarHBondContact O-CD 3.49Å; V130-R134 WeakPolarHBondContact O-CG 3.44Å; V130-R134 PolarHBondContact O-N 2.97Å
131	T	96	Very high	95.7	Very high	85 Å²	85	46.1 Å²	46.1	52%	0.521	26%	0.261	S	S	.	.	H	α-helix	trans	-64	-45.6	178.8	-55.3	0	0	0	0	111.6	N129 R134 K135	N129-T131 PolarHBondContact O-N 3.4Å; N129-T131 VanDerWaalsContact O-N 3.17Å; N129-T131 WeakPolarHBondContact OD1-CA 3.1Å; N129-T131 VanDerWaalsContact OD1-CB 3.25Å; N129-T131 WeakPolarHBondContact OD1-CB 3.41Å; N129-T131 PolarHBondContact OD1-N 2.85Å; T131-R134 PolarHBondContact O-N 2.98Å; T131-K135 WeakPolarHBondContact O-CG 3.42Å; T131-K135 PolarHBondContact O-N 3.3Å
132	L	95.6	Very high	95.7	Very high	80 Å²	80	46 Å²	46	42%	0.419	26%	0.257	S	S	.	.	H	α-helix	trans	-67.5	-39.9	178.7	-65.2	-176.6	0	0	0	111.7	E127 N129 K135 S136	E127-L132 HydrophobicContact CG-CB 3.54Å; E127-L132 HydrophobicContact CG-CD1 4.35Å; N129-L132 HydrophobicContact CB-CB 4.13Å; N129-L132 HydrophobicContact CB-CD1 3.98Å; N129-L132 HydrophobicContact CB-CG 4.01Å; N129-L132 PolarHBondContact O-N 3.14Å; N129-L132 PolarHBondContact OD1-N 3.45Å; L132-K135 PolarHBondContact O-N 3.41Å; L132-S136 WeakPolarHBondContact O-CB 3.36Å; L132-S136 PolarHBondContact O-N 3.29Å; L132-S136 PolarHBondContact O-OG 3.1Å
133	L	97.1	Very high	95.6	Very high	1 Å²	1	51 Å²	51	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-45.6	175	-176.5	54.4	0	0	0	111.3	F71 L109 I124 E127 N129 V130 K135 S136 I137	F71-L133 HydrophobicContact CB-CD2 3.87Å; F71-L133 HydrophobicContact CD1-CD2 4.06Å; F71-L133 HydrophobicContact CD2-CB 4.11Å; F71-L133 HydrophobicContact CD2-CD2 3.68Å; F71-L133 HydrophobicContact CD2-CG 3.66Å; F71-L133 HydrophobicContact CE2-CD2 4.26Å; F71-L133 HydrophobicContact CE2-CG 3.88Å; F71-L133 HydrophobicContact CG-CD2 3.56Å; F71-L133 HydrophobicContact CG-CG 4.09Å; L109-L133 HydrophobicContact CD1-CD1 3.84Å; L109-L133 HydrophobicContact CD1-CD2 4.37Å; I124-L133 HydrophobicContact CG2-CD1 3.95Å; E127-L133 HydrophobicContact CB-CB 4.19Å; E127-L133 HydrophobicContact CG-CB 4.46Å; N129-L133 PolarHBondContact O-N 3.13Å; V130-L133 PolarHBondContact O-N 2.9Å; L133-K135 PolarHBondContact O-N 2.94Å; L133-S136 WeakPolarHBondContact O-CB 3.37Å; L133-S136 PolarHBondContact O-N 3.12Å; L133-S136 VanDerWaalsContact O-N 3.14Å; L133-I137 HydrophobicContact CD1-CG1 4.29Å; L133-I137 WeakPolarHBondContact O-CG1 3.41Å; L133-I137 PolarHBondContact O-N 3.26Å
134	R	98.2	Very high	95.6	Very high	26 Å²	26	48.9 Å²	48.9	10%	0.098	27%	0.272	C	S	.	.	H	α-helix	trans	-54.5	-50.1	173.9	-73.8	166.4	64.4	79.5	1.9	111.5	F71 S74 V75 W78 V130 T131 S136 I137 V138 L171 D175	F71-R134 HydrophobicContact CD2-CG 3.9Å; F71-R134 HydrophobicContact CE2-CG 3.89Å; S74-R134 VanDerWaalsContact C-NH1 3.32Å; S74-R134 PolarHBondContact O-NH1 3.45Å; S74-R134 WeakPolarHBondContact OG-CD 3.32Å; S74-R134 PolarHBondContact OG-NH1 2.85Å; S74-R134 VanDerWaalsContact OG-NH1 3.17Å; V75-R134 HydrophobicContact CG1-CG 4.15Å; W78-R134 HydrophobicContact CH2-CB 4.18Å; W78-R134 HydrophobicContact CH2-CG 4.34Å; V130-R134 HydrophobicContact CG1-CG 4.25Å; V130-R134 WeakPolarHBondContact O-CB 3.18Å; V130-R134 WeakPolarHBondContact O-CD 3.49Å; V130-R134 WeakPolarHBondContact O-CG 3.44Å; V130-R134 PolarHBondContact O-N 2.97Å; T131-R134 PolarHBondContact O-N 2.98Å; R134-S136 VanDerWaalsContact C-N 3.3Å; R134-S136 PolarHBondContact O-N 3.28Å; R134-I137 PolarHBondContact O-N 3.11Å; R134-V138 VanDerWaalsContact O-CG2 3.3Å; R134-V138 WeakPolarHBondContact O-CG2 3.32Å; R134-V138 PolarHBondContact O-N 2.94Å; R134-L171 HydrophobicContact CB-CD2 4.32Å; R134-D175 IonicContact CZ-OD1 2.85Å; R134-D175 IonicContact NH1-OD1 3.87Å; R134-D175 IonicContact NH2-OD1 3.62Å; R134-D175 PolarHBondContact NH2-OD1 3.28Å; R134-D175 IonicContact NH2-OD2 3.68Å; R134-D175 PolarHBondContact NH2-OD2 2.85Å
135	K	96.9	Very high	95.4	Very high	70 Å²	70	50 Å²	50	30%	0.304	28%	0.281	S	S	.	.	H	α-helix	trans	-57.5	-43	177	-74.1	-174.1	173.2	-147.3	0	112.3	T131 L132 L133 I137 V138 S139 E167 L171	T131-K135 WeakPolarHBondContact O-CG 3.42Å; T131-K135 PolarHBondContact O-N 3.3Å; L132-K135 PolarHBondContact O-N 3.41Å; L133-K135 PolarHBondContact O-N 2.94Å; K135-I137 VanDerWaalsContact C-N 3.32Å; K135-I137 PolarHBondContact O-N 3.42Å; K135-V138 PolarHBondContact O-N 3.46Å; K135-S139 WeakPolarHBondContact O-CB 3.28Å; K135-S139 PolarHBondContact O-N 3.49Å; K135-E167 IonicContact NZ-OE2 3.74Å; K135-L171 HydrophobicContact CG-CD1 4.47Å
136	S	96.7	Very high	95.2	Very high	48 Å²	48	50.6 Å²	50.6	34%	0.336	28%	0.281	S	S	.	.	H	α-helix	trans	-62	-40.1	178.6	-58.3	0	0	0	0	111.9	L132 L133 R134 K140	L132-S136 WeakPolarHBondContact O-CB 3.36Å; L132-S136 PolarHBondContact O-N 3.29Å; L132-S136 PolarHBondContact O-OG 3.1Å; L133-S136 WeakPolarHBondContact O-CB 3.37Å; L133-S136 PolarHBondContact O-N 3.12Å; L133-S136 VanDerWaalsContact O-N 3.14Å; R134-S136 VanDerWaalsContact C-N 3.3Å; R134-S136 PolarHBondContact O-N 3.28Å; S136-K140 PolarHBondContact O-N 2.85Å
137	I	98	Very high	95.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-71.9	-42.1	175.9	-60.5	-56.5	0	0	0	112	L50 F71 W78 L82 I124 L133 R134 K135 S139 K140 L141	L50-I137 HydrophobicContact CD1-CD1 3.6Å; L50-I137 HydrophobicContact CD2-CD1 3.77Å; L50-I137 HydrophobicContact CD2-CG1 4.12Å; L50-I137 HydrophobicContact CG-CD1 4.19Å; F71-I137 HydrophobicContact CE2-CG1 4.14Å; F71-I137 HydrophobicContact CZ-CG1 3.9Å; W78-I137 HydrophobicContact CZ3-CB 4.43Å; W78-I137 HydrophobicContact CZ3-CG2 4.08Å; L82-I137 HydrophobicContact CD1-CG2 4.26Å; L82-I137 HydrophobicContact CD2-CG2 3.75Å; I124-I137 HydrophobicContact CD1-CD1 4.41Å; I124-I137 HydrophobicContact CG1-CD1 4.02Å; I124-I137 HydrophobicContact CG2-CD1 4.05Å; L133-I137 HydrophobicContact CD1-CG1 4.29Å; L133-I137 WeakPolarHBondContact O-CG1 3.41Å; L133-I137 PolarHBondContact O-N 3.26Å; R134-I137 PolarHBondContact O-N 3.11Å; K135-I137 VanDerWaalsContact C-N 3.32Å; K135-I137 PolarHBondContact O-N 3.42Å; I137-S139 VanDerWaalsContact C-N 3.3Å; I137-S139 PolarHBondContact O-N 2.8Å; I137-K140 PolarHBondContact O-N 2.84Å; I137-K140 VanDerWaalsContact O-N 3.11Å; I137-L141 HydrophobicContact CG2-CD1 3.86Å; I137-L141 HydrophobicContact CG2-CG 4.2Å; I137-L141 WeakPolarHBondContact O-CG 3.37Å; I137-L141 PolarHBondContact O-N 3.12Å
138	V	97.6	Very high	95.2	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-56.4	-46.7	174	171.7	0	0	0	0	110.8	W78 R134 K135 K140 L141 V142 S170 L171 L174	W78-V138 HydrophobicContact CH2-CG2 3.46Å; W78-V138 VanDerWaalsContact CH2-CG2 3.46Å; W78-V138 HydrophobicContact CZ2-CG2 4.25Å; W78-V138 HydrophobicContact CZ3-CG2 4.02Å; R134-V138 VanDerWaalsContact O-CG2 3.3Å; R134-V138 WeakPolarHBondContact O-CG2 3.32Å; R134-V138 PolarHBondContact O-N 2.94Å; K135-V138 PolarHBondContact O-N 3.46Å; V138-K140 VanDerWaalsContact C-N 3.26Å; V138-K140 PolarHBondContact O-N 3.27Å; V138-L141 PolarHBondContact O-N 3.18Å; V138-L141 VanDerWaalsContact O-N 3.13Å; V138-V142 HydrophobicContact CG1-CG2 4.05Å; V138-V142 WeakPolarHBondContact O-CG2 3.19Å; V138-V142 PolarHBondContact O-N 3.24Å; V138-S170 VanDerWaalsContact CG1-CB 3.43Å; V138-L171 HydrophobicContact CG2-CD2 3.45Å; V138-L171 VanDerWaalsContact CG2-CD2 3.45Å; V138-L171 HydrophobicContact CG2-CG 3.89Å; V138-L174 HydrophobicContact CB-CD1 4.42Å; V138-L174 HydrophobicContact CG1-CD1 4.45Å; V138-L174 HydrophobicContact CG2-CD1 3.53Å
139	S	96.2	Very high	95.1	Very high	55 Å²	55	51.1 Å²	51.1	39%	0.385	28%	0.282	S	S	.	.	H	α-helix	trans	-56.7	-38.7	177	-175	0	0	0	0	112.3	K135 I137 N143	K135-S139 WeakPolarHBondContact O-CB 3.28Å; K135-S139 PolarHBondContact O-N 3.49Å; I137-S139 VanDerWaalsContact C-N 3.3Å; I137-S139 PolarHBondContact O-N 2.8Å; S139-N143 PolarHBondContact O-ND2 3.07Å
140	K	96.3	Very high	95.1	Very high	81 Å²	81	49.9 Å²	49.9	35%	0.352	28%	0.278	S	S	.	.	H	α-helix	trans	-69	-48.6	173.2	-65.9	-59.8	-174.8	-174.6	0	112.4	F111 I124 S136 I137 V138 V142 N143 V144	F111-K140 HydrophobicContact CD1-CB 3.87Å; F111-K140 HydrophobicContact CD1-CG 4.23Å; F111-K140 HydrophobicContact CD2-CB 4.21Å; F111-K140 HydrophobicContact CE1-CB 3.8Å; F111-K140 HydrophobicContact CE2-CB 4.14Å; F111-K140 HydrophobicContact CG-CB 4.07Å; F111-K140 HydrophobicContact CG-CG 4.26Å; F111-K140 HydrophobicContact CZ-CB 3.94Å; I124-K140 HydrophobicContact CD1-CD 4Å; I124-K140 HydrophobicContact CD1-CG 3.48Å; I124-K140 VanDerWaalsContact CD1-CG 3.48Å; S136-K140 PolarHBondContact O-N 2.85Å; I137-K140 PolarHBondContact O-N 2.84Å; I137-K140 VanDerWaalsContact O-N 3.11Å; V138-K140 VanDerWaalsContact C-N 3.26Å; V138-K140 PolarHBondContact O-N 3.27Å; K140-V142 PolarHBondContact O-N 3.41Å; K140-N143 PolarHBondContact O-N 3.44Å; K140-N143 VanDerWaalsContact O-N 3.14Å; K140-V144 WeakPolarHBondContact O-CG2 3.25Å; K140-V144 PolarHBondContact O-N 3.46Å
141	L	96.7	Very high	94.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59	-47.2	-176.4	-73.8	169.8	0	0	0	112	N48 W78 V81 L82 F111 I137 V138 N143 V144 S145 L147 L174	N48-L141 HydrophobicContact CB-CD2 3.88Å; W78-L141 HydrophobicContact CE3-CD1 4.21Å; W78-L141 HydrophobicContact CZ3-CD1 4.3Å; V81-L141 HydrophobicContact CG1-CD1 4.47Å; V81-L141 HydrophobicContact CG2-CD2 4.21Å; L82-L141 HydrophobicContact CD1-CD2 4.47Å; F111-L141 HydrophobicContact CE2-CD2 3.89Å; F111-L141 HydrophobicContact CE2-CG 4.18Å; F111-L141 HydrophobicContact CZ-CD2 3.88Å; F111-L141 HydrophobicContact CZ-CG 4.32Å; I137-L141 HydrophobicContact CG2-CD1 3.86Å; I137-L141 HydrophobicContact CG2-CG 4.2Å; I137-L141 WeakPolarHBondContact O-CG 3.37Å; I137-L141 PolarHBondContact O-N 3.12Å; V138-L141 PolarHBondContact O-N 3.18Å; V138-L141 VanDerWaalsContact O-N 3.13Å; L141-N143 PolarHBondContact O-N 3.28Å; L141-V144 PolarHBondContact O-N 2.76Å; L141-V144 VanDerWaalsContact O-N 3.11Å; L141-S145 PolarHBondContact O-N 2.95Å; L141-L147 HydrophobicContact CB-CD2 4.13Å; L141-L174 HydrophobicContact CD1-CD1 4.1Å; L141-L174 HydrophobicContact CD1-CD2 4.31Å
142	V	94.9	Very high	94.8	Very high	55 Å²	55	61.4 Å²	61.4	33%	0.333	32%	0.318	S	S	.	.	H	α-helix	trans	-59.3	-31.3	179.3	173.7	0	0	0	0	112	V138 K140 L147 S170	V138-V142 HydrophobicContact CG1-CG2 4.05Å; V138-V142 WeakPolarHBondContact O-CG2 3.19Å; V138-V142 PolarHBondContact O-N 3.24Å; K140-V142 PolarHBondContact O-N 3.41Å; V142-L147 HydrophobicContact CG2-CD1 3.81Å; V142-S170 WeakPolarHBondContact CG2-OG 3.28Å
143	N	93.4	Very high	94.7	Very high	128 Å²	128	61.1 Å²	61.1	68%	0.684	32%	0.317	S	S	*	.	H	α-helix	trans	-80.5	-22.2	-179.9	-76.7	-41.5	0	0	0	114	S139 K140 L141	S139-N143 PolarHBondContact O-ND2 3.07Å; K140-N143 PolarHBondContact O-N 3.44Å; K140-N143 VanDerWaalsContact O-N 3.14Å; L141-N143 PolarHBondContact O-N 3.28Å
144	V	93.2	Very high	94.5	Very high	49 Å²	49	62.3 Å²	62.3	30%	0.297	33%	0.327	S	S	.	.	H	α-helix	trans	-119.4	-10	-172.7	-53.7	0	0	0	0	114.2	F111 F113 K140 L141	F111-V144 HydrophobicContact CE1-CG1 4.49Å; F111-V144 HydrophobicContact CE1-CG2 3.71Å; F111-V144 HydrophobicContact CZ-CG2 3.8Å; F113-V144 HydrophobicContact CB-CB 4.33Å; F113-V144 HydrophobicContact CB-CG2 4Å; F113-V144 HydrophobicContact CD1-CG1 4.13Å; F113-V144 HydrophobicContact CD2-CB 3.82Å; F113-V144 HydrophobicContact CD2-CG1 3.72Å; F113-V144 HydrophobicContact CD2-CG2 4.42Å; F113-V144 HydrophobicContact CE1-CG1 4.15Å; F113-V144 HydrophobicContact CE2-CB 4.27Å; F113-V144 HydrophobicContact CE2-CG1 3.73Å; F113-V144 HydrophobicContact CG-CB 4.04Å; F113-V144 HydrophobicContact CG-CG1 3.92Å; F113-V144 HydrophobicContact CG-CG2 4.16Å; F113-V144 HydrophobicContact CZ-CG1 3.95Å; K140-V144 WeakPolarHBondContact O-CG2 3.25Å; K140-V144 PolarHBondContact O-N 3.46Å; L141-V144 PolarHBondContact O-N 2.76Å; L141-V144 VanDerWaalsContact O-N 3.11Å
145	S	90.7	Very high	94.2	Very high	33 Å²	33	66.1 Å²	66.1	23%	0.231	35%	0.353	C	S	.	.	S	Bend	trans	-145.7	140	-173.1	-71.8	0	0	0	0	112.1	N48 L141 L147	N48-S145 PolarHBondContact ND2-OG 2.87Å; N48-S145 PolarHBondContact OD1-OG 3.27Å; L141-S145 PolarHBondContact O-N 2.95Å; S145-L147 PolarHBondContact O-N 3.11Å
146	T	89.2	Confident	94.1	Very high	107 Å²	107	66.2 Å²	66.2	66%	0.656	36%	0.357	S	S	*	.			trans	-71.8	114.8	165.7	52.8	0	0	0	0	107.9	Q148	T146-Q148 PolarHBondContact O-N 2.83Å
147	L	92.8	Very high	94	Very high	24 Å²	24	67.2 Å²	67.2	13%	0.126	36%	0.358	C	S	.	.			trans	-72.2	63.5	178.3	-60.5	-173.7	0	0	0	111.4	W80 V81 L141 V142 S145 I173 L174	W80-L147 HydrophobicContact CH2-CB 4.42Å; V81-L147 HydrophobicContact CG2-CD2 4.24Å; L141-L147 HydrophobicContact CB-CD2 4.13Å; V142-L147 HydrophobicContact CG2-CD1 3.81Å; S145-L147 PolarHBondContact O-N 3.11Å; L147-I173 HydrophobicContact CB-CG2 3.98Å; L147-L174 HydrophobicContact CD1-CD1 4.38Å; L147-L174 HydrophobicContact CD1-CD2 4.46Å; L147-L174 HydrophobicContact CD1-CG 4.22Å; L147-L174 HydrophobicContact CD2-CD2 3.89Å
148	Q	92.7	Very high	93.9	Very high	116 Å²	116	67.7 Å²	67.7	54%	0.542	36%	0.362	S	S	.	.			trans	-113.9	120.8	-179	-71	-178	-14.8	0	0	109.9	W80 T146	W80-Q148 WeakPolarHBondContact CZ3-O 3.47Å; T146-Q148 PolarHBondContact O-N 2.83Å
149	L	93.9	Very high	93.9	Very high	9 Å²	9	67.7 Å²	67.7	5%	0.047	36%	0.361	C	S	.	.			trans	-64.4	133.9	175.2	-170.6	72.2	0	0	0	109.6	W80 L153 A154 S177 A178	W80-L149 HydrophobicContact CB-CD1 4.23Å; W80-L149 HydrophobicContact CD2-CD1 3.67Å; W80-L149 HydrophobicContact CE3-CD1 4.21Å; W80-L149 HydrophobicContact CG-CD1 3.65Å; L149-L153 HydrophobicContact CD1-CB 4.16Å; L149-L153 HydrophobicContact CD1-CD1 4.12Å; L149-L153 HydrophobicContact CD2-CB 3.95Å; L149-L153 HydrophobicContact CG-CB 3.89Å; L149-A154 HydrophobicContact CD2-CB 4.05Å; L149-S177 WeakPolarHBondContact CD2-O 3.42Å; L149-A178 HydrophobicContact CD1-CB 4.03Å
150	P	93.4	Very high	94	Very high	50 Å²	50	66.4 Å²	66.4	33%	0.325	35%	0.351	S	S	.	.			trans	-51.4	140.9	174	-29.3	35.8	0	0	0	112.9	D152 L153 A154	P150-D152 WeakPolarHBondContact CB-OD1 3.48Å; P150-D152 PolarHBondContact O-N 3.38Å; P150-L153 HydrophobicContact CB-CD1 4.33Å; P150-L153 HydrophobicContact CB-CG 4.39Å; P150-L153 HydrophobicContact CG-CD1 4.22Å; P150-L153 WeakPolarHBondContact O-CB 3.46Å; P150-L153 PolarHBondContact O-N 3.11Å; P150-A154 PolarHBondContact O-N 3Å
151	R	92.7	Very high	94	Very high	233 Å²	233	62.5 Å²	62.5	88%	0.879	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.4	-172.7	-73.4	-167.9	-67.5	-91.8	0.3	113.6	L153 A154	R151-L153 VanDerWaalsContact C-N 3.25Å; R151-L153 PolarHBondContact O-N 3.49Å; R151-A154 PolarHBondContact O-N 2.81Å
152	D	94.2	Very high	94.1	Very high	123 Å²	123	63.6 Å²	63.6	66%	0.658	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.1	175.1	58	-62.4	0	0	0	112.8	P150	P150-D152 WeakPolarHBondContact CB-OD1 3.48Å; P150-D152 PolarHBondContact O-N 3.38Å
153	L	93	Very high	94.2	Very high	74 Å²	74	61 Å²	61	39%	0.387	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-25.8	175.2	-59.5	179.2	0	0	0	112.6	W80 L149 P150 R151 V155 K181	W80-L153 HydrophobicContact CB-CD1 4.3Å; L149-L153 HydrophobicContact CD1-CB 4.16Å; L149-L153 HydrophobicContact CD1-CD1 4.12Å; L149-L153 HydrophobicContact CD2-CB 3.95Å; L149-L153 HydrophobicContact CG-CB 3.89Å; P150-L153 HydrophobicContact CB-CD1 4.33Å; P150-L153 HydrophobicContact CB-CG 4.39Å; P150-L153 HydrophobicContact CG-CD1 4.22Å; P150-L153 WeakPolarHBondContact O-CB 3.46Å; P150-L153 PolarHBondContact O-N 3.11Å; R151-L153 VanDerWaalsContact C-N 3.25Å; R151-L153 PolarHBondContact O-N 3.49Å; L153-V155 PolarHBondContact O-N 3.44Å; L153-V155 VanDerWaalsContact O-N 3.15Å; L153-K181 WeakPolarHBondContact O-CA 3.2Å; L153-K181 WeakPolarHBondContact O-CB 3.22Å
154	A	93.5	Very high	94.3	Very high	26 Å²	26	57.7 Å²	57.7	22%	0.215	31%	0.312	C	S	.	.			trans	-86	64.6	-179.6	0	0	0	0	0	112.8	L149 P150 R151 K181 E183	L149-A154 HydrophobicContact CD2-CB 4.05Å; P150-A154 PolarHBondContact O-N 3Å; R151-A154 PolarHBondContact O-N 2.81Å; A154-K181 CarbonylContact C-O 3.56Å; A154-E183 HydrophobicContact CB-CB 4.27Å
155	V	93.2	Very high	94.4	Very high	107 Å²	107	58.5 Å²	58.5	65%	0.648	32%	0.315	S	S	*	.			trans	-76.5	-30.9	-174.9	-176.5	0	0	0	0	113.3	L153 K181	L153-V155 PolarHBondContact O-N 3.44Å; L153-V155 VanDerWaalsContact O-N 3.15Å; V155-K181 PolarHBondContact N-O 2.95Å
156	N	93.5	Very high	94.6	Very high	72 Å²	72	61.4 Å²	61.4	39%	0.385	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	160.5	-176.8	-68.9	-34.8	0	0	0	111.6	L180 K181 R182	N156-L180 PolarHBondContact ND2-O 2.71Å; N156-K181 WeakPolarHBondContact CB-O 3.35Å; N156-K181 PolarHBondContact N-O 3.04Å; N156-R182 HydrophobicContact CB-CG 3.37Å
157	D	94.2	Very high	94.8	Very high	68 Å²	68	59.5 Å²	59.5	36%	0.364	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	138.7	-178.8	-79.9	-32.3	0	0	0	113.5	R182 R201	D157-R182 VanDerWaalsContact O-CD 3.28Å; D157-R182 WeakPolarHBondContact O-CD 3.48Å; D157-R182 VanDerWaalsContact O-CG 3.27Å; D157-R182 WeakPolarHBondContact O-CG 3.45Å; D157-R182 PolarHBondContact O-NH1 2.71Å; D157-R201 VanDerWaalsContact OD1-CD 3.24Å; D157-R201 WeakPolarHBondContact OD1-CD 3.42Å; D157-R201 IonicContact OD1-CZ 2.7Å; D157-R201 IonicContact OD1-NE 3.91Å; D157-R201 PolarHBondContact OD1-NE 3.08Å
158	P	96.5	Very high	94.9	Very high	11 Å²	11	59.1 Å²	59.1	7%	0.071	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	148.4	-178.8	23.4	-30.4	0	0	0	111.8	E183 R200	P158-E183 VanDerWaalsContact CA-O 3.27Å; P158-E183 WeakPolarHBondContact CA-O 3.41Å; P158-E183 HydrophobicContact CB-CB 4.22Å; P158-R200 HydrophobicContact CB-CB 4.21Å; P158-R200 HydrophobicContact CG-CB 4.05Å; P158-R200 VanDerWaalsContact O-CB 3.32Å; P158-R200 WeakPolarHBondContact O-CB 3.37Å; P158-R200 PolarHBondContact O-N 2.87Å
159	I	97.3	Very high	95.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	155.3	173.4	60.8	172.8	0	0	0	110.4	L180 E183 I184 Q185 V197 R198 I206 L218	I159-L180 HydrophobicContact CD1-CD1 4.1Å; I159-E183 PolarHBondContact N-O 2.87Å; I159-I184 HydrophobicContact CD1-CD1 3.87Å; I159-I184 HydrophobicContact CD1-CG1 3.75Å; I159-I184 HydrophobicContact CD1-CG2 4.36Å; I159-I184 HydrophobicContact CG1-CB 4.15Å; I159-I184 HydrophobicContact CG1-CD1 4.33Å; I159-I184 HydrophobicContact CG1-CG1 3.64Å; I159-I184 HydrophobicContact CG1-CG2 4.1Å; I159-I184 WeakPolarHBondContact O-CA 3.36Å; I159-Q185 PolarHBondContact O-N 2.88Å; I159-V197 HydrophobicContact CB-CG1 4.35Å; I159-V197 HydrophobicContact CD1-CG1 3.95Å; I159-R198 CarbonylContact C-O 3.52Å; I159-R198 WeakPolarHBondContact CA-O 3.48Å; I159-R198 WeakPolarHBondContact CB-O 3.47Å; I159-I206 HydrophobicContact CB-CD1 4.4Å; I159-I206 HydrophobicContact CG2-CD1 3.5Å; I159-I206 VanDerWaalsContact CG2-CD1 3.5Å; I159-L218 HydrophobicContact CD1-CD2 4.36Å
160	V	97.9	Very high	95.3	Very high	28 Å²	28	53.3 Å²	53.3	17%	0.17	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.9	174.6	-174.1	0	0	0	0	108.4	Q185 A187 V197 R198 R200	V160-Q185 CarbonylContact C-O 3.58Å; V160-Q185 WeakPolarHBondContact CA-O 3.26Å; V160-Q185 HydrophobicContact CG2-CB 4.4Å; V160-A187 HydrophobicContact CG1-CB 4.02Å; V160-V197 WeakPolarHBondContact O-CA 3.4Å; V160-R198 PolarHBondContact N-O 2.88Å; V160-R198 PolarHBondContact O-N 2.93Å; V160-R200 HydrophobicContact CG2-CB 3.8Å; V160-R200 HydrophobicContact CG2-CG 3.61Å
161	V	98	Very high	95.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.1	170.9	176.7	0	0	0	0	107.5	N169 L172 I184 Q185 S186 A187 V195 D196 V197	V161-N169 HydrophobicContact CG1-CB 4.35Å; V161-N169 WeakPolarHBondContact CG1-OD1 3.39Å; V161-N169 PolarHBondContact O-ND2 3.24Å; V161-L172 HydrophobicContact CG1-CD1 3.73Å; V161-I184 HydrophobicContact CB-CG2 4.34Å; V161-I184 HydrophobicContact CG2-CG2 3.47Å; V161-I184 VanDerWaalsContact CG2-CG2 3.47Å; V161-Q185 PolarHBondContact N-O 3.2Å; V161-S186 WeakPolarHBondContact O-CA 3.37Å; V161-A187 PolarHBondContact O-N 3.26Å; V161-V195 HydrophobicContact CG1-CG1 3.58Å; V161-D196 CarbonylContact C-O 3.6Å; V161-D196 WeakPolarHBondContact CA-O 3.3Å; V161-V197 HydrophobicContact CG2-CG1 4.36Å; V161-V197 HydrophobicContact CG2-CG2 4.07Å
162	T	98	Very high	95.7	Very high	22 Å²	22	40.3 Å²	40.3	14%	0.135	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.1	178.1	-50.4	0	0	0	0	109.5	A187 I189 L192 V195 D196	T162-A187 VanDerWaalsContact CA-O 3.26Å; T162-A187 WeakPolarHBondContact CA-O 3.33Å; T162-A187 HydrophobicContact CG2-CB 4.11Å; T162-I189 HydrophobicContact CG2-CD1 3.54Å; T162-I189 HydrophobicContact CG2-CG1 3.84Å; T162-L192 HydrophobicContact CG2-CD1 4.1Å; T162-V195 WeakPolarHBondContact O-CA 3.29Å; T162-D196 PolarHBondContact N-O 3.24Å; T162-D196 PolarHBondContact O-N 3.3Å
163	G	97	Very high	95.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	178.3	-177.3	0	0	0	0	0	112.4	A187 I188 I189	G163-A187 PolarHBondContact N-O 2.63Å; G163-I188 CarbonylContact O-C 3.58Å; G163-I188 VanDerWaalsContact O-CA 3.29Å; G163-I188 WeakPolarHBondContact O-CA 3.29Å; G163-I189 PolarHBondContact O-N 2.98Å
164	S	96	Very high	96.1	Very high	59 Å²	59	31.3 Å²	31.3	41%	0.413	18%	0.178	S	C	.	.	S	Bend	trans	-94.5	-20.2	178.4	60.4	0	0	0	0	114.1	I189 L192	S164-I189 WeakPolarHBondContact CA-O 3.34Å; S164-L192 WeakPolarHBondContact CB-O 3.3Å; S164-L192 PolarHBondContact OG-O 3.28Å
165	D	94.7	Very high	96.3	Very high	66 Å²	66	30.8 Å²	30.8	35%	0.353	17%	0.172	S	C	.	.			trans	-108.2	116.8	-174.7	-173.4	-24.3	0	0	0	110.7	E167 V168 N169	D165-E167 VanDerWaalsContact C-N 3.33Å; D165-E167 PolarHBondContact O-N 3.12Å; D165-E167 WeakPolarHBondContact OD1-CA 3.4Å; D165-E167 WeakPolarHBondContact OD1-CB 3.31Å; D165-E167 PolarHBondContact OD1-N 2.79Å; D165-V168 HydrophobicContact CB-CB 3.99Å; D165-V168 HydrophobicContact CB-CG2 3.83Å; D165-V168 PolarHBondContact O-N 3.3Å; D165-V168 PolarHBondContact OD1-N 2.85Å; D165-N169 PolarHBondContact O-N 3.3Å; D165-N169 VanDerWaalsContact O-N 3.09Å
166	M	94	Very high	96.5	Very high	94 Å²	94	26.4 Å²	26.4	46%	0.463	14%	0.144	S	C	.	.	H	α-helix	trans	-64.6	-35.7	179.2	-175.9	65.1	83.9	0	0	112.6	S170 I188	M166-S170 VanDerWaalsContact O-CB 3.23Å; M166-S170 WeakPolarHBondContact O-CB 3.44Å; M166-S170 PolarHBondContact O-N 2.86Å; M166-S170 PolarHBondContact O-OG 3Å; M166-I188 HydrophobicContact CB-CD1 4.18Å; M166-I188 HydrophobicContact CE-CD1 4.2Å; M166-I188 HydrophobicContact CE-CG1 3.58Å; M166-I188 HydrophobicContact SD-CD1 4Å; M166-I188 HydrophobicContact SD-CG1 4.01Å
167	E	94	Very high	96.6	Very high	68 Å²	68	23 Å²	23	32%	0.318	13%	0.126	S	C	.	.	H	α-helix	trans	-67.7	-43.7	178.9	-61.3	-170.9	150.2	0	0	110.5	K135 D165 S170 L171	K135-E167 IonicContact NZ-OE2 3.74Å; D165-E167 VanDerWaalsContact C-N 3.33Å; D165-E167 PolarHBondContact O-N 3.12Å; D165-E167 WeakPolarHBondContact OD1-CA 3.4Å; D165-E167 WeakPolarHBondContact OD1-CB 3.31Å; D165-E167 PolarHBondContact OD1-N 2.79Å; E167-S170 PolarHBondContact O-N 2.92Å; E167-L171 WeakPolarHBondContact O-CB 3.48Å; E167-L171 WeakPolarHBondContact O-CG 3.31Å; E167-L171 PolarHBondContact O-N 2.93Å
168	V	95.5	Very high	96.7	Very high	15 Å²	15	21 Å²	21	9%	0.091	12%	0.119	C	C	.	.	H	α-helix	trans	-60.7	-51.3	176.9	173.3	0	0	0	0	110.3	D165 S170 L171 L172 V195 E211	D165-V168 HydrophobicContact CB-CB 3.99Å; D165-V168 HydrophobicContact CB-CG2 3.83Å; D165-V168 PolarHBondContact O-N 3.3Å; D165-V168 PolarHBondContact OD1-N 2.85Å; V168-S170 VanDerWaalsContact C-N 3.29Å; V168-S170 PolarHBondContact O-N 3.24Å; V168-L171 PolarHBondContact O-N 3.15Å; V168-L172 HydrophobicContact CG1-CD1 4.18Å; V168-L172 WeakPolarHBondContact O-CG 3.4Å; V168-L172 PolarHBondContact O-N 3.06Å; V168-V195 HydrophobicContact CG1-CG2 4.2Å; V168-E211 HydrophobicContact CG1-CB 4.35Å; V168-E211 HydrophobicContact CG1-CG 3.8Å; V168-E211 WeakPolarHBondContact CG2-OE2 3.47Å
169	N	97	Very high	96.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.6	-42.3	177.8	-74.9	11.6	0	0	0	111.8	V161 D165 L172 I173 S186 A187 I188	V161-N169 HydrophobicContact CG1-CB 4.35Å; V161-N169 WeakPolarHBondContact CG1-OD1 3.39Å; V161-N169 PolarHBondContact O-ND2 3.24Å; D165-N169 PolarHBondContact O-N 3.3Å; D165-N169 VanDerWaalsContact O-N 3.09Å; N169-L172 PolarHBondContact O-N 2.84Å; N169-I173 VanDerWaalsContact O-CG1 3.31Å; N169-I173 WeakPolarHBondContact O-CG1 3.45Å; N169-I173 PolarHBondContact O-N 3.2Å; N169-S186 WeakPolarHBondContact CB-OG 3.38Å; N169-S186 PolarHBondContact ND2-OG 2.97Å; N169-A187 PolarHBondContact ND2-O 3.03Å; N169-I188 HydrophobicContact CB-CD1 4.43Å; N169-I188 VanDerWaalsContact ND2-CD1 3.35Å; N169-I188 WeakPolarHBondContact ND2-CD1 3.43Å
170	S	97.5	Very high	96.7	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.028	13%	0.129	C	C	.	.	H	α-helix	trans	-67.2	-39.7	179.9	-59	0	0	0	0	112.4	V138 V142 M166 E167 V168 I173 L174	V138-S170 VanDerWaalsContact CG1-CB 3.43Å; V142-S170 WeakPolarHBondContact CG2-OG 3.28Å; M166-S170 VanDerWaalsContact O-CB 3.23Å; M166-S170 WeakPolarHBondContact O-CB 3.44Å; M166-S170 PolarHBondContact O-N 2.86Å; M166-S170 PolarHBondContact O-OG 3Å; E167-S170 PolarHBondContact O-N 2.92Å; V168-S170 VanDerWaalsContact C-N 3.29Å; V168-S170 PolarHBondContact O-N 3.24Å; S170-I173 PolarHBondContact O-N 2.88Å; S170-L174 WeakPolarHBondContact O-CB 3.44Å; S170-L174 VanDerWaalsContact O-CG 3.25Å; S170-L174 WeakPolarHBondContact O-CG 3.35Å; S170-L174 PolarHBondContact O-N 3.12Å
171	L	97.5	Very high	96.6	Very high	10 Å²	10	27.1 Å²	27.1	5%	0.052	15%	0.146	C	C	.	.	H	α-helix	trans	-61.4	-43.5	172.5	-76.5	165.5	0	0	0	111.1	W78 R134 K135 V138 E167 V168 I173 L174 D175	W78-L171 HydrophobicContact CH2-CD2 3.91Å; W78-L171 HydrophobicContact CZ2-CD2 3.79Å; R134-L171 HydrophobicContact CB-CD2 4.32Å; K135-L171 HydrophobicContact CG-CD1 4.47Å; V138-L171 HydrophobicContact CG2-CD2 3.45Å; V138-L171 VanDerWaalsContact CG2-CD2 3.45Å; V138-L171 HydrophobicContact CG2-CG 3.89Å; E167-L171 WeakPolarHBondContact O-CB 3.48Å; E167-L171 WeakPolarHBondContact O-CG 3.31Å; E167-L171 PolarHBondContact O-N 2.93Å; V168-L171 PolarHBondContact O-N 3.15Å; L171-I173 VanDerWaalsContact C-N 3.34Å; L171-I173 PolarHBondContact O-N 3.19Å; L171-L174 PolarHBondContact O-N 3.34Å; L171-D175 VanDerWaalsContact O-CB 3.24Å; L171-D175 WeakPolarHBondContact O-CB 3.3Å; L171-D175 PolarHBondContact O-N 3.4Å
172	L	97.5	Very high	96.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.7	-40.2	176.6	-66	174.5	0	0	0	112	V161 V168 N169 Y176 V195 V214 R215 L218	V161-L172 HydrophobicContact CG1-CD1 3.73Å; V168-L172 HydrophobicContact CG1-CD1 4.18Å; V168-L172 WeakPolarHBondContact O-CG 3.4Å; V168-L172 PolarHBondContact O-N 3.06Å; N169-L172 PolarHBondContact O-N 2.84Å; L172-Y176 HydrophobicContact CD2-CD2 4.05Å; L172-Y176 HydrophobicContact CD2-CE2 3.72Å; L172-Y176 WeakPolarHBondContact O-CB 3.43Å; L172-Y176 WeakPolarHBondContact O-CD2 3.35Å; L172-Y176 PolarHBondContact O-N 3.18Å; L172-V195 HydrophobicContact CD1-CG1 3.91Å; L172-V214 HydrophobicContact CD1-CG1 4.06Å; L172-V214 HydrophobicContact CD2-CG1 4.41Å; L172-R215 HydrophobicContact CD2-CG 3.75Å; L172-L218 HydrophobicContact CD2-CD1 4.24Å
173	I	97.6	Very high	96.4	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.036	16%	0.159	C	C	.	.	H	α-helix	trans	-59	-53.1	173	-68.5	164.6	0	0	0	110.3	W80 L147 N169 S170 L171 D175 S177 I184	W80-I173 HydrophobicContact CH2-CG2 4.43Å; L147-I173 HydrophobicContact CB-CG2 3.98Å; N169-I173 VanDerWaalsContact O-CG1 3.31Å; N169-I173 WeakPolarHBondContact O-CG1 3.45Å; N169-I173 PolarHBondContact O-N 3.2Å; S170-I173 PolarHBondContact O-N 2.88Å; L171-I173 VanDerWaalsContact C-N 3.34Å; L171-I173 PolarHBondContact O-N 3.19Å; I173-D175 PolarHBondContact O-N 2.95Å; I173-S177 WeakPolarHBondContact O-CB 3.32Å; I173-S177 PolarHBondContact O-N 3.1Å; I173-S177 PolarHBondContact O-OG 3.5Å; I173-I184 HydrophobicContact CB-CB 4.38Å; I173-I184 HydrophobicContact CB-CG2 4.44Å; I173-I184 HydrophobicContact CG1-CB 3.88Å; I173-I184 HydrophobicContact CG1-CG2 3.59Å; I173-I184 HydrophobicContact CG2-CB 4.45Å
174	L	97.5	Very high	96.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65	-41.1	-175.2	-70.5	167.9	0	0	0	112.5	W78 W80 V81 V138 L141 L147 S170 L171	W78-L174 VanDerWaalsContact CD1-C 3.5Å; W78-L174 HydrophobicContact CD2-CB 3.89Å; W78-L174 HydrophobicContact CD2-CD1 4.23Å; W78-L174 HydrophobicContact CD2-CD2 4.44Å; W78-L174 HydrophobicContact CD2-CG 4.43Å; W78-L174 HydrophobicContact CE3-CD1 4.14Å; W78-L174 HydrophobicContact CG-CB 4.06Å; W78-L174 HydrophobicContact CG-CD2 4.49Å; W78-L174 HydrophobicContact CH2-CD1 3.95Å; W78-L174 HydrophobicContact CZ2-CB 3.93Å; W78-L174 HydrophobicContact CZ2-CD1 4.01Å; W78-L174 HydrophobicContact CZ3-CD1 4.01Å; W80-L174 HydrophobicContact CH2-CD2 4.27Å; W80-L174 HydrophobicContact CZ2-CD2 3.99Å; V81-L174 HydrophobicContact CG1-CD2 3.46Å; V81-L174 VanDerWaalsContact CG1-CD2 3.46Å; V138-L174 HydrophobicContact CB-CD1 4.42Å; V138-L174 HydrophobicContact CG1-CD1 4.45Å; V138-L174 HydrophobicContact CG2-CD1 3.53Å; L141-L174 HydrophobicContact CD1-CD1 4.1Å; L141-L174 HydrophobicContact CD1-CD2 4.31Å; L147-L174 HydrophobicContact CD1-CD1 4.38Å; L147-L174 HydrophobicContact CD1-CD2 4.46Å; L147-L174 HydrophobicContact CD1-CG 4.22Å; L147-L174 HydrophobicContact CD2-CD2 3.89Å; S170-L174 WeakPolarHBondContact O-CB 3.44Å; S170-L174 VanDerWaalsContact O-CG 3.25Å; S170-L174 WeakPolarHBondContact O-CG 3.35Å; S170-L174 PolarHBondContact O-N 3.12Å; L171-L174 PolarHBondContact O-N 3.34Å
175	D	97.2	Very high	96.4	Very high	15 Å²	15	31 Å²	31	8%	0.08	15%	0.154	C	C	.	.	H	α-helix	trans	-72.1	-36.7	-176.1	-71.7	-23.8	0	0	0	113.2	N77 W78 R134 L171 I173 P179 R215	N77-D175 PolarHBondContact ND2-O 2.96Å; W78-D175 PolarHBondContact NE1-OD1 3.23Å; R134-D175 IonicContact CZ-OD1 2.85Å; R134-D175 IonicContact NH1-OD1 3.87Å; R134-D175 IonicContact NH2-OD1 3.62Å; R134-D175 PolarHBondContact NH2-OD1 3.28Å; R134-D175 IonicContact NH2-OD2 3.68Å; R134-D175 PolarHBondContact NH2-OD2 2.85Å; L171-D175 VanDerWaalsContact O-CB 3.24Å; L171-D175 WeakPolarHBondContact O-CB 3.3Å; L171-D175 PolarHBondContact O-N 3.4Å; I173-D175 PolarHBondContact O-N 2.95Å; D175-P179 WeakPolarHBondContact O-CD 3.38Å; D175-P179 WeakPolarHBondContact O-CG 3.48Å; D175-R215 IonicContact OD2-CZ 3.2Å; D175-R215 IonicContact OD2-NH1 2.73Å; D175-R215 PolarHBondContact OD2-NH1 2.89Å
176	Y	97.3	Very high	96.4	Very high	16 Å²	16	30.1 Å²	30.1	6%	0.063	15%	0.152	C	C	.	.	H	α-helix	trans	-117.5	-16.3	-164.7	-61.3	-69.7	0	0	0	115.5	L172 A178 P179 L180 R215 L218 Q219	L172-Y176 HydrophobicContact CD2-CD2 4.05Å; L172-Y176 HydrophobicContact CD2-CE2 3.72Å; L172-Y176 WeakPolarHBondContact O-CB 3.43Å; L172-Y176 WeakPolarHBondContact O-CD2 3.35Å; L172-Y176 PolarHBondContact O-N 3.18Å; Y176-A178 PolarHBondContact O-N 2.84Å; Y176-P179 WeakPolarHBondContact O-CD 3.2Å; Y176-L180 WeakPolarHBondContact O-CB 3.08Å; Y176-L180 WeakPolarHBondContact O-CG 3.36Å; Y176-L180 PolarHBondContact O-N 3.21Å; Y176-R215 HydrophobicContact CE2-CG 4.28Å; Y176-R215 WeakPolarHBondContact OH-CB 3.4Å; Y176-R215 PolarHBondContact OH-O 2.94Å; Y176-L218 HydrophobicContact CD1-CB 3.72Å; Y176-L218 HydrophobicContact CD2-CB 3.91Å; Y176-L218 HydrophobicContact CD2-CD1 3.56Å; Y176-L218 HydrophobicContact CD2-CG 4.41Å; Y176-L218 HydrophobicContact CE1-CB 3.85Å; Y176-L218 HydrophobicContact CE2-CB 4.04Å; Y176-L218 HydrophobicContact CE2-CD1 4.03Å; Y176-L218 HydrophobicContact CG-CB 3.76Å; Y176-L218 HydrophobicContact CG-CD1 3.99Å; Y176-Q219 HydrophobicContact CE1-CB 4.19Å
177	S	97.3	Very high	96.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	14%	0.144	C	C	.	.	H	α-helix	trans	-58	-53	-178.2	-62.3	0	0	0	0	112.1	L149 I173 K181 R182 I184	L149-S177 WeakPolarHBondContact CD2-O 3.42Å; I173-S177 WeakPolarHBondContact O-CB 3.32Å; I173-S177 PolarHBondContact O-N 3.1Å; I173-S177 PolarHBondContact O-OG 3.5Å; S177-K181 WeakPolarHBondContact O-CA 3.48Å; S177-K181 PolarHBondContact O-N 2.61Å; S177-R182 CarbonylContact C-O 3.58Å; S177-R182 VanDerWaalsContact CA-O 3.29Å; S177-R182 WeakPolarHBondContact CA-O 3.4Å; S177-R182 WeakPolarHBondContact CB-O 3.47Å; S177-R182 PolarHBondContact O-N 2.99Å; S177-I184 VanDerWaalsContact OG-CG1 3.29Å; S177-I184 WeakPolarHBondContact OG-CG1 3.44Å
178	A	96.1	Very high	96.6	Very high	26 Å²	26	27.1 Å²	27.1	22%	0.215	15%	0.145	C	C	.	.	H	α-helix	trans	-67.6	-47.5	-179.4	0	0	0	0	0	113	L149 Y176 L180 K181	L149-A178 HydrophobicContact CD1-CB 4.03Å; Y176-A178 PolarHBondContact O-N 2.84Å; A178-L180 VanDerWaalsContact C-N 3.33Å; A178-L180 PolarHBondContact O-N 3.22Å; A178-K181 PolarHBondContact O-N 2.88Å
179	P	95.9	Very high	96.7	Very high	35 Å²	35	30.5 Å²	30.5	23%	0.227	16%	0.161	C	C	.	.	H	α-helix	trans	-60.3	-37.6	176.3	-27.7	36.2	0	0	0	114.4	N77 D175 Y176 K181	N77-P179 HydrophobicContact CB-CG 3.99Å; N77-P179 VanDerWaalsContact CG-CG 3.48Å; N77-P179 WeakPolarHBondContact ND2-CG 3.28Å; D175-P179 WeakPolarHBondContact O-CD 3.38Å; D175-P179 WeakPolarHBondContact O-CG 3.48Å; Y176-P179 WeakPolarHBondContact O-CD 3.2Å; P179-K181 VanDerWaalsContact C-N 3.27Å
180	L	96.6	Very high	96.5	Very high	10 Å²	10	35.9 Å²	35.9	5%	0.052	20%	0.196	C	C	.	.	H	α-helix	trans	-79.1	-12.9	176.5	-64.4	173.9	0	0	0	112.8	N156 I159 Y176 A178 R182 I184 L218 M221	N156-L180 PolarHBondContact ND2-O 2.71Å; I159-L180 HydrophobicContact CD1-CD1 4.1Å; Y176-L180 WeakPolarHBondContact O-CB 3.08Å; Y176-L180 WeakPolarHBondContact O-CG 3.36Å; Y176-L180 PolarHBondContact O-N 3.21Å; A178-L180 VanDerWaalsContact C-N 3.33Å; A178-L180 PolarHBondContact O-N 3.22Å; L180-R182 HydrophobicContact CB-CB 4.14Å; L180-R182 HydrophobicContact CB-CG 4.16Å; L180-R182 PolarHBondContact O-N 3.36Å; L180-I184 HydrophobicContact CD1-CD1 4.35Å; L180-L218 HydrophobicContact CD1-CD2 4.1Å; L180-M221 HydrophobicContact CD2-CB 3.55Å
181	K	96.2	Very high	96.3	Very high	122 Å²	122	39.2 Å²	39.2	53%	0.53	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	38.9	-169.2	-55.7	-179.4	-179.8	-178.6	0	111.7	L153 A154 V155 N156 S177 A178 P179	L153-K181 WeakPolarHBondContact O-CA 3.2Å; L153-K181 WeakPolarHBondContact O-CB 3.22Å; A154-K181 CarbonylContact C-O 3.56Å; V155-K181 PolarHBondContact N-O 2.95Å; N156-K181 WeakPolarHBondContact CB-O 3.35Å; N156-K181 PolarHBondContact N-O 3.04Å; S177-K181 WeakPolarHBondContact O-CA 3.48Å; S177-K181 PolarHBondContact O-N 2.61Å; A178-K181 PolarHBondContact O-N 2.88Å; P179-K181 VanDerWaalsContact C-N 3.27Å
182	R	96.1	Very high	96	Very high	51 Å²	51	41.4 Å²	41.4	19%	0.192	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.2	-177.5	-70.6	179	-176.2	-101.3	2.2	109.5	N156 D157 S177 L180 I184	N156-R182 HydrophobicContact CB-CG 3.37Å; D157-R182 VanDerWaalsContact O-CD 3.28Å; D157-R182 WeakPolarHBondContact O-CD 3.48Å; D157-R182 VanDerWaalsContact O-CG 3.27Å; D157-R182 WeakPolarHBondContact O-CG 3.45Å; D157-R182 PolarHBondContact O-NH1 2.71Å; S177-R182 CarbonylContact C-O 3.58Å; S177-R182 VanDerWaalsContact CA-O 3.29Å; S177-R182 WeakPolarHBondContact CA-O 3.4Å; S177-R182 WeakPolarHBondContact CB-O 3.47Å; S177-R182 PolarHBondContact O-N 2.99Å; L180-R182 HydrophobicContact CB-CB 4.14Å; L180-R182 HydrophobicContact CB-CG 4.16Å; L180-R182 PolarHBondContact O-N 3.36Å; R182-I184 PolarHBondContact O-N 3.1Å
183	E	95.8	Very high	95.7	Very high	46 Å²	46	48 Å²	48	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	125.5	161.5	-174.3	-166.3	168.6	0	0	108.4	A154 P158 I159 Q185 R200	A154-E183 HydrophobicContact CB-CB 4.27Å; P158-E183 VanDerWaalsContact CA-O 3.27Å; P158-E183 WeakPolarHBondContact CA-O 3.41Å; P158-E183 HydrophobicContact CB-CB 4.22Å; I159-E183 PolarHBondContact N-O 2.87Å; E183-Q185 HydrophobicContact CG-CG 4.36Å; E183-Q185 PolarHBondContact OE1-NE2 2.93Å; E183-R200 IonicContact OE2-NH1 2.8Å
184	I	97.1	Very high	95.7	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.8	173.8	-52.6	-174.5	0	0	0	108.3	I159 V161 I173 S177 L180 R182	I159-I184 HydrophobicContact CD1-CD1 3.87Å; I159-I184 HydrophobicContact CD1-CG1 3.75Å; I159-I184 HydrophobicContact CD1-CG2 4.36Å; I159-I184 HydrophobicContact CG1-CB 4.15Å; I159-I184 HydrophobicContact CG1-CD1 4.33Å; I159-I184 HydrophobicContact CG1-CG1 3.64Å; I159-I184 HydrophobicContact CG1-CG2 4.1Å; I159-I184 WeakPolarHBondContact O-CA 3.36Å; V161-I184 HydrophobicContact CB-CG2 4.34Å; V161-I184 HydrophobicContact CG2-CG2 3.47Å; V161-I184 VanDerWaalsContact CG2-CG2 3.47Å; I173-I184 HydrophobicContact CB-CB 4.38Å; I173-I184 HydrophobicContact CB-CG2 4.44Å; I173-I184 HydrophobicContact CG1-CB 3.88Å; I173-I184 HydrophobicContact CG1-CG2 3.59Å; I173-I184 HydrophobicContact CG2-CB 4.45Å; S177-I184 VanDerWaalsContact OG-CG1 3.29Å; S177-I184 WeakPolarHBondContact OG-CG1 3.44Å; L180-I184 HydrophobicContact CD1-CD1 4.35Å; R182-I184 PolarHBondContact O-N 3.1Å
185	Q	95.3	Very high	95.7	Very high	62 Å²	62	51.8 Å²	51.8	29%	0.29	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	145.4	176.2	-61.3	-169.5	-37.4	0	0	111.1	I159 V160 V161 E183	I159-Q185 PolarHBondContact O-N 2.88Å; V160-Q185 CarbonylContact C-O 3.58Å; V160-Q185 WeakPolarHBondContact CA-O 3.26Å; V160-Q185 HydrophobicContact CG2-CB 4.4Å; V161-Q185 PolarHBondContact N-O 3.2Å; E183-Q185 HydrophobicContact CG-CG 4.36Å; E183-Q185 PolarHBondContact OE1-NE2 2.93Å
186	S	95.6	Very high	95.7	Very high	46 Å²	46	51.8 Å²	51.8	32%	0.322	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.4	175.7	-179.7	0	0	0	0	110.6	V161 N169	V161-S186 WeakPolarHBondContact O-CA 3.37Å; N169-S186 WeakPolarHBondContact CB-OG 3.38Å; N169-S186 PolarHBondContact ND2-OG 2.97Å
187	A	96.5	Very high	95.8	Very high	34 Å²	34	51 Å²	51	28%	0.281	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.3	163.4	0	0	0	0	0	109.1	V160 V161 T162 G163 N169	V160-A187 HydrophobicContact CG1-CB 4.02Å; V161-A187 PolarHBondContact O-N 3.26Å; T162-A187 VanDerWaalsContact CA-O 3.26Å; T162-A187 WeakPolarHBondContact CA-O 3.33Å; T162-A187 HydrophobicContact CG2-CB 4.11Å; G163-A187 PolarHBondContact N-O 2.63Å; N169-A187 PolarHBondContact ND2-O 3.03Å
188	I	96.3	Very high	95.8	Very high	66 Å²	66	55.3 Å²	55.3	34%	0.338	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.1	-179.6	-59.1	-65.5	0	0	0	110.1	G163 M166 N169	G163-I188 CarbonylContact O-C 3.58Å; G163-I188 VanDerWaalsContact O-CA 3.29Å; G163-I188 WeakPolarHBondContact O-CA 3.29Å; M166-I188 HydrophobicContact CB-CD1 4.18Å; M166-I188 HydrophobicContact CE-CD1 4.2Å; M166-I188 HydrophobicContact CE-CG1 3.58Å; M166-I188 HydrophobicContact SD-CD1 4Å; M166-I188 HydrophobicContact SD-CG1 4.01Å; N169-I188 HydrophobicContact CB-CD1 4.43Å; N169-I188 VanDerWaalsContact ND2-CD1 3.35Å; N169-I188 WeakPolarHBondContact ND2-CD1 3.43Å
189	I	96	Very high	95.8	Very high	85 Å²	85	55 Å²	55	44%	0.436	31%	0.309	S	S	.	.			trans	-123.2	109.3	171.5	-58.1	-179.9	0	0	0	107.6	T162 G163 S164 L192	T162-I189 HydrophobicContact CG2-CD1 3.54Å; T162-I189 HydrophobicContact CG2-CG1 3.84Å; G163-I189 PolarHBondContact O-N 2.98Å; S164-I189 WeakPolarHBondContact CA-O 3.34Å; I189-L192 HydrophobicContact CB-CD1 3.66Å; I189-L192 HydrophobicContact CB-CG 3.88Å; I189-L192 HydrophobicContact CD1-CD1 4.23Å; I189-L192 HydrophobicContact CG1-CD1 4.36Å; I189-L192 HydrophobicContact CG2-CD1 4.11Å; I189-L192 HydrophobicContact CG2-CD2 4.33Å; I189-L192 HydrophobicContact CG2-CG 3.86Å
190	P	94.5	Very high	95.8	Very high	113 Å²	113	58.6 Å²	58.6	73%	0.734	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	142.6	177.4	-24.9	34.4	0	0	0	112.2	L192	P190-L192 VanDerWaalsContact C-N 3.32Å; P190-L192 PolarHBondContact O-N 3.25Å
191	G	92.1	Very high	95.6	Very high	75 Å²	75	66.8 Å²	66.8	77%	0.773	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-1.2	174.5	0	0	0	0	0	116
192	L	92.3	Very high	95.6	Very high	56 Å²	56	64.6 Å²	64.6	29%	0.293	35%	0.349	S	S	.	.			trans	-65.4	139.6	168.3	-69.4	-174.7	0	0	0	111.1	T162 S164 I189 P190	T162-L192 HydrophobicContact CG2-CD1 4.1Å; S164-L192 WeakPolarHBondContact CB-O 3.3Å; S164-L192 PolarHBondContact OG-O 3.28Å; I189-L192 HydrophobicContact CB-CD1 3.66Å; I189-L192 HydrophobicContact CB-CG 3.88Å; I189-L192 HydrophobicContact CD1-CD1 4.23Å; I189-L192 HydrophobicContact CG1-CD1 4.36Å; I189-L192 HydrophobicContact CG2-CD1 4.11Å; I189-L192 HydrophobicContact CG2-CD2 4.33Å; I189-L192 HydrophobicContact CG2-CG 3.86Å; P190-L192 VanDerWaalsContact C-N 3.32Å; P190-L192 PolarHBondContact O-N 3.25Å
193	T	91.2	Very high	95.5	Very high	139 Å²	139	64.1 Å²	64.1	85%	0.853	36%	0.36	S	S	*	.	S	Bend	trans	-97.6	-9.9	175.5	55	0	0	0	0	113.1
194	E	96.4	Very high	95.5	Very high	72 Å²	72	68 Å²	68	34%	0.336	38%	0.378	S	S	.	.	S	Bend	trans	-129.7	155.8	-175.5	-65.2	-179.5	149.5	0	0	110.2	R208	E194-R208 IonicContact OE2-CZ 3.72Å; E194-R208 IonicContact OE2-NE 2.92Å; E194-R208 PolarHBondContact OE2-NE 3.01Å; E194-R208 IonicContact OE2-NH2 3.65Å
195	V	97.6	Very high	95.5	Very high	13 Å²	13	71 Å²	71	8%	0.079	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	130.6	170.8	179.6	0	0	0	0	108.5	V161 T162 V168 L172 V197 R208 G209 V214	V161-V195 HydrophobicContact CG1-CG1 3.58Å; T162-V195 WeakPolarHBondContact O-CA 3.29Å; V168-V195 HydrophobicContact CG1-CG2 4.2Å; L172-V195 HydrophobicContact CD1-CG1 3.91Å; V195-V197 HydrophobicContact CG1-CG2 4.45Å; V195-R208 WeakPolarHBondContact O-CA 3.33Å; V195-G209 PolarHBondContact N-O 2.85Å; V195-G209 PolarHBondContact O-N 2.8Å; V195-V214 HydrophobicContact CB-CG2 3.93Å; V195-V214 HydrophobicContact CG1-CG1 4.25Å; V195-V214 HydrophobicContact CG1-CG2 4.14Å
196	D	97.7	Very high	95.5	Very high	16 Å²	16	70.3 Å²	70.3	9%	0.086	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.9	-179.3	174.8	96.1	0	0	0	109.6	V161 T162 R198 R208	V161-D196 CarbonylContact C-O 3.6Å; V161-D196 WeakPolarHBondContact CA-O 3.3Å; T162-D196 PolarHBondContact N-O 3.24Å; T162-D196 PolarHBondContact O-N 3.3Å; D196-R198 IonicContact OD1-CZ 3.48Å; D196-R198 IonicContact OD1-NE 2.97Å; D196-R198 PolarHBondContact OD1-NE 3.39Å; D196-R198 IonicContact OD1-NH2 2.8Å; D196-R198 PolarHBondContact OD1-NH2 3.43Å; D196-R198 WeakPolarHBondContact OD2-CD 3.5Å; D196-R198 WeakPolarHBondContact OD2-CG 3.27Å; D196-R198 IonicContact OD2-CZ 3.59Å; D196-R198 IonicContact OD2-NE 3.36Å; D196-R198 PolarHBondContact OD2-NE 3.16Å; D196-R198 IonicContact OD2-NH2 3.6Å; D196-R208 HydrophobicContact CB-CG 4.25Å
197	V	98.2	Very high	95.6	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.8	-179.6	-172.4	0	0	0	0	109.8	I159 V160 V161 V195 I206 V207 V214 L218	I159-V197 HydrophobicContact CB-CG1 4.35Å; I159-V197 HydrophobicContact CD1-CG1 3.95Å; V160-V197 WeakPolarHBondContact O-CA 3.4Å; V161-V197 HydrophobicContact CG2-CG1 4.36Å; V161-V197 HydrophobicContact CG2-CG2 4.07Å; V195-V197 HydrophobicContact CG1-CG2 4.45Å; V197-I206 HydrophobicContact CG1-CB 4.4Å; V197-I206 HydrophobicContact CG1-CD1 4.32Å; V197-I206 WeakPolarHBondContact O-CB 3.4Å; V197-I206 PolarHBondContact O-N 2.96Å; V197-V207 HydrophobicContact CB-CG1 3.82Å; V197-V207 HydrophobicContact CG2-CG1 3.83Å; V197-V207 PolarHBondContact N-O 3.47Å; V197-V207 PolarHBondContact O-N 2.84Å; V197-V214 HydrophobicContact CG2-CG1 3.61Å; V197-L218 HydrophobicContact CG1-CD2 4.34Å
198	R	98.1	Very high	95.7	Very high	91 Å²	91	73.8 Å²	73.8	34%	0.343	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149.7	-177.9	-66.1	176.5	-170	-98.9	-14.6	112.5	I159 V160 D196 R200 E204 V205	I159-R198 CarbonylContact C-O 3.52Å; I159-R198 WeakPolarHBondContact CA-O 3.48Å; I159-R198 WeakPolarHBondContact CB-O 3.47Å; V160-R198 PolarHBondContact N-O 2.88Å; V160-R198 PolarHBondContact O-N 2.93Å; D196-R198 IonicContact OD1-CZ 3.48Å; D196-R198 IonicContact OD1-NE 2.97Å; D196-R198 PolarHBondContact OD1-NE 3.39Å; D196-R198 IonicContact OD1-NH2 2.8Å; D196-R198 PolarHBondContact OD1-NH2 3.43Å; D196-R198 WeakPolarHBondContact OD2-CD 3.5Å; D196-R198 WeakPolarHBondContact OD2-CG 3.27Å; D196-R198 IonicContact OD2-CZ 3.59Å; D196-R198 IonicContact OD2-NE 3.36Å; D196-R198 PolarHBondContact OD2-NE 3.16Å; D196-R198 IonicContact OD2-NH2 3.6Å; R198-R200 PolarHBondContact O-N 3.37Å; R198-E204 CarbonylContact C-O 3.53Å; R198-E204 WeakPolarHBondContact CA-O 3.37Å; R198-E204 WeakPolarHBondContact CB-O 3.23Å; R198-V205 HydrophobicContact CG-CG2 4.33Å
199	N	97.2	Very high	95.7	Very high	18 Å²	18	70.7 Å²	70.7	10%	0.096	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	125.5	162	-177.8	-52	0	0	0	108.9	R201 S202 G203 E204	N199-R201 VanDerWaalsContact C-N 3.33Å; N199-R201 PolarHBondContact O-N 2.9Å; N199-R201 WeakPolarHBondContact OD1-CA 3.49Å; N199-R201 PolarHBondContact OD1-N 2.9Å; N199-S202 VanDerWaalsContact CB-OG 3.27Å; N199-S202 WeakPolarHBondContact CB-OG 3.39Å; N199-S202 PolarHBondContact OD1-N 2.78Å; N199-S202 PolarHBondContact OD1-OG 3.09Å; N199-G203 VanDerWaalsContact O-CA 3.25Å; N199-G203 WeakPolarHBondContact O-CA 3.4Å; N199-G203 PolarHBondContact O-N 3.38Å; N199-E204 HydrophobicContact CB-CB 4.31Å; N199-E204 PolarHBondContact N-O 3.35Å
200	R	94.8	Very high	95.7	Very high	111 Å²	111	70.1 Å²	70.1	42%	0.419	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-31.6	-175.7	-166.1	179.2	86.1	-168	-0.3	112.8	P158 V160 E183 R198	P158-R200 HydrophobicContact CB-CB 4.21Å; P158-R200 HydrophobicContact CG-CB 4.05Å; P158-R200 VanDerWaalsContact O-CB 3.32Å; P158-R200 WeakPolarHBondContact O-CB 3.37Å; P158-R200 PolarHBondContact O-N 2.87Å; V160-R200 HydrophobicContact CG2-CB 3.8Å; V160-R200 HydrophobicContact CG2-CG 3.61Å; E183-R200 IonicContact OE2-NH1 2.8Å; R198-R200 PolarHBondContact O-N 3.37Å
201	R	93.2	Very high	95.7	Very high	183 Å²	183	68 Å²	68	69%	0.691	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-50	-177.6	-65.7	-171.7	-170.2	-96	0.1	112	D157 N199	D157-R201 VanDerWaalsContact OD1-CD 3.24Å; D157-R201 WeakPolarHBondContact OD1-CD 3.42Å; D157-R201 IonicContact OD1-CZ 2.7Å; D157-R201 IonicContact OD1-NE 3.91Å; D157-R201 PolarHBondContact OD1-NE 3.08Å; N199-R201 VanDerWaalsContact C-N 3.33Å; N199-R201 PolarHBondContact O-N 2.9Å; N199-R201 WeakPolarHBondContact OD1-CA 3.49Å; N199-R201 PolarHBondContact OD1-N 2.9Å
202	S	94.9	Very high	95.9	Very high	75 Å²	75	70.5 Å²	70.5	52%	0.524	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-19.8	-176.1	64.4	0	0	0	0	113.6	N199 E204	N199-S202 VanDerWaalsContact CB-OG 3.27Å; N199-S202 WeakPolarHBondContact CB-OG 3.39Å; N199-S202 PolarHBondContact OD1-N 2.78Å; N199-S202 PolarHBondContact OD1-OG 3.09Å; S202-E204 PolarHBondContact O-N 3.2Å; S202-E204 VanDerWaalsContact OG-CB 3.29Å; S202-E204 WeakPolarHBondContact OG-CB 3.5Å; S202-E204 PolarHBondContact OG-N 3.41Å
203	G	93.9	Very high	96.1	Very high	41 Å²	41	72.5 Å²	72.5	42%	0.423	36%	0.36	S	S	.	.			trans	74.5	1.3	-172.6	0	0	0	0	0	114.3	N199	N199-G203 VanDerWaalsContact O-CA 3.25Å; N199-G203 WeakPolarHBondContact O-CA 3.4Å; N199-G203 PolarHBondContact O-N 3.38Å
204	E	95.9	Very high	96.4	Very high	127 Å²	127	65.9 Å²	65.9	59%	0.593	32%	0.319	S	S	*	.			trans	-59.2	133	179.9	-177.2	-177.8	-174.3	0	0	111.5	R198 N199 S202 I206	R198-E204 CarbonylContact C-O 3.53Å; R198-E204 WeakPolarHBondContact CA-O 3.37Å; R198-E204 WeakPolarHBondContact CB-O 3.23Å; N199-E204 HydrophobicContact CB-CB 4.31Å; N199-E204 PolarHBondContact N-O 3.35Å; S202-E204 PolarHBondContact O-N 3.2Å; S202-E204 VanDerWaalsContact OG-CB 3.29Å; S202-E204 WeakPolarHBondContact OG-CB 3.5Å; S202-E204 PolarHBondContact OG-N 3.41Å; E204-I206 PolarHBondContact O-N 3.18Å
205	V	96.9	Very high	96.4	Very high	68 Å²	68	64.3 Å²	64.3	41%	0.412	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	118.6	175.2	-176.1	0	0	0	0	109.4	R198 R208	R198-V205 HydrophobicContact CG-CG2 4.33Å; V205-R208 HydrophobicContact CG1-CB 4.4Å
206	I	96.4	Very high	96.3	Very high	47 Å²	47	68.9 Å²	68.9	24%	0.241	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-48.2	175.3	-64.3	170.4	0	0	0	109.6	I159 V197 E204 V217 M221	I159-I206 HydrophobicContact CB-CD1 4.4Å; I159-I206 HydrophobicContact CG2-CD1 3.5Å; I159-I206 VanDerWaalsContact CG2-CD1 3.5Å; V197-I206 HydrophobicContact CG1-CB 4.4Å; V197-I206 HydrophobicContact CG1-CD1 4.32Å; V197-I206 WeakPolarHBondContact O-CB 3.4Å; V197-I206 PolarHBondContact O-N 2.96Å; E204-I206 PolarHBondContact O-N 3.18Å; I206-V217 HydrophobicContact CG2-CG1 4.29Å; I206-M221 HydrophobicContact CD1-CE 4.38Å; I206-M221 HydrophobicContact CG2-CE 3.92Å; I206-M221 HydrophobicContact CG2-SD 3.38Å; I206-M221 WeakPolarHBondContact CG2-SD 3.19Å
207	V	97.7	Very high	96.2	Very high	11 Å²	11	70.1 Å²	70.1	7%	0.067	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	146.3	176.1	57	0	0	0	0	109.6	V197 Q213 V214 V217	V197-V207 HydrophobicContact CB-CG1 3.82Å; V197-V207 HydrophobicContact CG2-CG1 3.83Å; V197-V207 PolarHBondContact N-O 3.47Å; V197-V207 PolarHBondContact O-N 2.84Å; V207-Q213 HydrophobicContact CG2-CG 4.44Å; V207-V214 HydrophobicContact CG1-CB 4.35Å; V207-V214 HydrophobicContact CG1-CG1 4.12Å; V207-V214 HydrophobicContact CG1-CG2 4.05Å; V207-V214 HydrophobicContact CG2-CG2 4.15Å; V207-V217 HydrophobicContact CB-CB 4.1Å; V207-V217 HydrophobicContact CB-CG1 4.03Å; V207-V217 HydrophobicContact CB-CG2 4.1Å; V207-V217 HydrophobicContact CG1-CB 4.15Å; V207-V217 HydrophobicContact CG1-CG1 4.15Å; V207-V217 HydrophobicContact CG2-CB 4.2Å; V207-V217 HydrophobicContact CG2-CG2 3.79Å
208	R	97.4	Very high	96.1	Very high	142 Å²	142	70.1 Å²	70.1	54%	0.536	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	129.9	167.9	177.6	177.1	171.8	164.4	4.2	108.6	E194 V195 D196 V205	E194-R208 IonicContact OE2-CZ 3.72Å; E194-R208 IonicContact OE2-NE 2.92Å; E194-R208 PolarHBondContact OE2-NE 3.01Å; E194-R208 IonicContact OE2-NH2 3.65Å; V195-R208 WeakPolarHBondContact O-CA 3.33Å; D196-R208 HydrophobicContact CB-CG 4.25Å; V205-R208 HydrophobicContact CG1-CB 4.4Å
209	G	97.2	Very high	95.9	Very high	1 Å²	1	69 Å²	69	1%	0.01	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.3	-166.2	179.2	0	0	0	0	0	113.3	V195	V195-G209 PolarHBondContact N-O 2.85Å; V195-G209 PolarHBondContact O-N 2.8Å
210	P	96.3	Very high	95.8	Very high	73 Å²	73	77.3 Å²	77.3	47%	0.474	37%	0.369	S	S	.	.			trans	-59.6	157	173.5	-21.9	33.6	0	0	0	112.3	E212 Q213 V214	P210-E212 VanDerWaalsContact C-N 3.25Å; P210-E212 PolarHBondContact O-N 2.95Å; P210-E212 VanDerWaalsContact O-N 3.16Å; P210-Q213 PolarHBondContact O-N 2.76Å; P210-V214 PolarHBondContact O-N 2.64Å; P210-V214 VanDerWaalsContact O-N 3.12Å
211	E	94.8	Very high	95.8	Very high	69 Å²	69	75.8 Å²	75.8	32%	0.322	37%	0.367	S	S	.	.	H	α-helix	trans	-49.2	-45.5	-179.5	-179.5	-176.4	169	0	0	112.6	V168 Q213 V214 R215	V168-E211 HydrophobicContact CG1-CB 4.35Å; V168-E211 HydrophobicContact CG1-CG 3.8Å; V168-E211 WeakPolarHBondContact CG2-OE2 3.47Å; E211-Q213 PolarHBondContact O-N 2.98Å; E211-V214 WeakPolarHBondContact O-CB 3.43Å; E211-V214 PolarHBondContact O-N 3.45Å; E211-R215 HydrophobicContact CG-CG 4.37Å; E211-R215 WeakPolarHBondContact O-CG 3.45Å; E211-R215 PolarHBondContact O-N 2.92Å; E211-R215 IonicContact OE1-CZ 2.88Å; E211-R215 IonicContact OE1-NE 3.9Å; E211-R215 PolarHBondContact OE1-NE 2.87Å; E211-R215 IonicContact OE1-NH2 3.49Å; E211-R215 PolarHBondContact OE1-NH2 3.47Å
212	E	95	Very high	95.7	Very high	128 Å²	128	68.1 Å²	68.1	60%	0.598	34%	0.342	S	S	*	.	H	α-helix	trans	-60.9	-43.2	-178.2	-173.1	57.7	-153.5	0	0	112.2	P210 V214 R215 M216	P210-E212 VanDerWaalsContact C-N 3.25Å; P210-E212 PolarHBondContact O-N 2.95Å; P210-E212 VanDerWaalsContact O-N 3.16Å; E212-V214 VanDerWaalsContact C-N 3.33Å; E212-V214 PolarHBondContact O-N 3.25Å; E212-R215 PolarHBondContact O-N 3.41Å; E212-M216 VanDerWaalsContact O-CG 3.32Å; E212-M216 WeakPolarHBondContact O-CG 3.44Å; E212-M216 PolarHBondContact O-N 2.81Å
213	Q	96.2	Very high	95.2	Very high	97 Å²	97	67.8 Å²	67.8	45%	0.453	35%	0.35	S	S	.	.	H	α-helix	trans	-65.2	-40	177.4	-174.5	-179.9	0.8	0	0	111.2	V207 P210 E211 M216 V217	V207-Q213 HydrophobicContact CG2-CG 4.44Å; P210-Q213 PolarHBondContact O-N 2.76Å; E211-Q213 PolarHBondContact O-N 2.98Å; Q213-M216 PolarHBondContact O-N 2.85Å; Q213-V217 WeakPolarHBondContact O-CG2 3.42Å; Q213-V217 PolarHBondContact O-N 2.94Å; Q213-V217 VanDerWaalsContact O-N 3.11Å
214	V	97.8	Very high	94	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-47.2	175.2	173.2	0	0	0	0	110.6	L172 V195 V197 V207 P210 E211 E212 M216 V217 L218	L172-V214 HydrophobicContact CD1-CG1 4.06Å; L172-V214 HydrophobicContact CD2-CG1 4.41Å; V195-V214 HydrophobicContact CB-CG2 3.93Å; V195-V214 HydrophobicContact CG1-CG1 4.25Å; V195-V214 HydrophobicContact CG1-CG2 4.14Å; V197-V214 HydrophobicContact CG2-CG1 3.61Å; V207-V214 HydrophobicContact CG1-CB 4.35Å; V207-V214 HydrophobicContact CG1-CG1 4.12Å; V207-V214 HydrophobicContact CG1-CG2 4.05Å; V207-V214 HydrophobicContact CG2-CG2 4.15Å; P210-V214 PolarHBondContact O-N 2.64Å; P210-V214 VanDerWaalsContact O-N 3.12Å; E211-V214 WeakPolarHBondContact O-CB 3.43Å; E211-V214 PolarHBondContact O-N 3.45Å; E212-V214 VanDerWaalsContact C-N 3.33Å; E212-V214 PolarHBondContact O-N 3.25Å; V214-M216 VanDerWaalsContact C-N 3.34Å; V214-M216 PolarHBondContact O-N 2.91Å; V214-V217 PolarHBondContact O-N 3.45Å; V214-L218 HydrophobicContact CG1-CD1 3.95Å; V214-L218 HydrophobicContact CG1-CG 4.24Å; V214-L218 WeakPolarHBondContact O-CG 3.1Å; V214-L218 PolarHBondContact O-N 3.33Å
215	R	96.3	Very high	91.9	Very high	39 Å²	39	70 Å²	70	15%	0.147	36%	0.355	C	S	.	.	H	α-helix	trans	-57.5	-44.4	175.9	-72.8	-177.7	178.6	-74.2	-3.3	112.1	L172 D175 Y176 E211 E212 V217 L218 Q219	L172-R215 HydrophobicContact CD2-CG 3.75Å; D175-R215 IonicContact OD2-CZ 3.2Å; D175-R215 IonicContact OD2-NH1 2.73Å; D175-R215 PolarHBondContact OD2-NH1 2.89Å; Y176-R215 HydrophobicContact CE2-CG 4.28Å; Y176-R215 WeakPolarHBondContact OH-CB 3.4Å; Y176-R215 PolarHBondContact OH-O 2.94Å; E211-R215 HydrophobicContact CG-CG 4.37Å; E211-R215 WeakPolarHBondContact O-CG 3.45Å; E211-R215 PolarHBondContact O-N 2.92Å; E211-R215 IonicContact OE1-CZ 2.88Å; E211-R215 IonicContact OE1-NE 3.9Å; E211-R215 PolarHBondContact OE1-NE 2.87Å; E211-R215 IonicContact OE1-NH2 3.49Å; E211-R215 PolarHBondContact OE1-NH2 3.47Å; E212-R215 PolarHBondContact O-N 3.41Å; R215-V217 PolarHBondContact O-N 3.34Å; R215-L218 PolarHBondContact O-N 3.07Å; R215-Q219 WeakPolarHBondContact O-CB 3.14Å; R215-Q219 PolarHBondContact O-N 3.29Å
216	M	95.4	Very high	89.6	Confident	110 Å²	110	72.5 Å²	72.5	54%	0.542	37%	0.373	S	S	.	.	H	α-helix	trans	-59.4	-43.9	177	-72	178.5	71.5	0	0	112.6	E212 Q213 V214 R220	E212-M216 VanDerWaalsContact O-CG 3.32Å; E212-M216 WeakPolarHBondContact O-CG 3.44Å; E212-M216 PolarHBondContact O-N 2.81Å; Q213-M216 PolarHBondContact O-N 2.85Å; V214-M216 VanDerWaalsContact C-N 3.34Å; V214-M216 PolarHBondContact O-N 2.91Å; M216-R220 PolarHBondContact O-N 3.26Å; M216-R220 VanDerWaalsContact O-N 3.12Å
217	V	96.4	Very high	87.1	Confident	42 Å²	42	80.9 Å²	80.9	26%	0.255	40%	0.401	S	S	.	.	H	α-helix	trans	-67.8	-48	179	174.6	0	0	0	0	111	I206 V207 Q213 V214 R215 Q219 R220 M221	I206-V217 HydrophobicContact CG2-CG1 4.29Å; V207-V217 HydrophobicContact CB-CB 4.1Å; V207-V217 HydrophobicContact CB-CG1 4.03Å; V207-V217 HydrophobicContact CB-CG2 4.1Å; V207-V217 HydrophobicContact CG1-CB 4.15Å; V207-V217 HydrophobicContact CG1-CG1 4.15Å; V207-V217 HydrophobicContact CG2-CB 4.2Å; V207-V217 HydrophobicContact CG2-CG2 3.79Å; Q213-V217 WeakPolarHBondContact O-CG2 3.42Å; Q213-V217 PolarHBondContact O-N 2.94Å; Q213-V217 VanDerWaalsContact O-N 3.11Å; V214-V217 PolarHBondContact O-N 3.45Å; R215-V217 PolarHBondContact O-N 3.34Å; V217-Q219 VanDerWaalsContact C-N 3.32Å; V217-Q219 PolarHBondContact O-N 3.04Å; V217-R220 PolarHBondContact O-N 2.78Å; V217-M221 HydrophobicContact CG1-CG 4.4Å; V217-M221 HydrophobicContact CG1-SD 3.99Å; V217-M221 WeakPolarHBondContact O-CG 3.28Å; V217-M221 PolarHBondContact O-N 2.81Å
218	L	96.5	Very high	84.4	Confident	0 Å²	0	87.9 Å²	87.9	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-63.3	-38.3	178.9	-64.4	-176.6	0	0	0	112.1	I159 L172 Y176 L180 V197 V214 R215 M221 S222	I159-L218 HydrophobicContact CD1-CD2 4.36Å; L172-L218 HydrophobicContact CD2-CD1 4.24Å; Y176-L218 HydrophobicContact CD1-CB 3.72Å; Y176-L218 HydrophobicContact CD2-CB 3.91Å; Y176-L218 HydrophobicContact CD2-CD1 3.56Å; Y176-L218 HydrophobicContact CD2-CG 4.41Å; Y176-L218 HydrophobicContact CE1-CB 3.85Å; Y176-L218 HydrophobicContact CE2-CB 4.04Å; Y176-L218 HydrophobicContact CE2-CD1 4.03Å; Y176-L218 HydrophobicContact CG-CB 3.76Å; Y176-L218 HydrophobicContact CG-CD1 3.99Å; L180-L218 HydrophobicContact CD1-CD2 4.1Å; V197-L218 HydrophobicContact CG1-CD2 4.34Å; V214-L218 HydrophobicContact CG1-CD1 3.95Å; V214-L218 HydrophobicContact CG1-CG 4.24Å; V214-L218 WeakPolarHBondContact O-CG 3.1Å; V214-L218 PolarHBondContact O-N 3.33Å; R215-L218 PolarHBondContact O-N 3.07Å; L218-M221 HydrophobicContact CD2-SD 4.22Å; L218-M221 PolarHBondContact O-N 2.89Å; L218-S222 PolarHBondContact O-N 3.29Å
219	Q	94.4	Very high	81.5	Confident	66 Å²	66	88.8 Å²	88.8	31%	0.308	45%	0.448	S	S	.	.	H	α-helix	trans	-59.3	-49.1	174.4	-176.1	66.3	15.5	0	0	110.9	Y176 R215 V217 M221 S222	Y176-Q219 HydrophobicContact CE1-CB 4.19Å; R215-Q219 WeakPolarHBondContact O-CB 3.14Å; R215-Q219 PolarHBondContact O-N 3.29Å; V217-Q219 VanDerWaalsContact C-N 3.32Å; V217-Q219 PolarHBondContact O-N 3.04Å; Q219-M221 VanDerWaalsContact C-N 3.34Å; Q219-M221 PolarHBondContact O-N 2.84Å; Q219-S222 PolarHBondContact O-N 3.02Å; Q219-S222 VanDerWaalsContact O-N 3.14Å; Q219-S222 PolarHBondContact O-OG 3.01Å
220	R	94.3	Very high	78.4	Confident	194 Å²	194	97.8 Å²	97.8	73%	0.732	49%	0.489	S	S	*	.	H	α-helix	trans	-61.5	-41.8	177.5	-172.3	-178.8	-65.9	166.3	-0.1	112	M216 V217 S222 G223	M216-R220 PolarHBondContact O-N 3.26Å; M216-R220 VanDerWaalsContact O-N 3.12Å; V217-R220 PolarHBondContact O-N 2.78Å; R220-S222 PolarHBondContact O-N 3.08Å; R220-G223 PolarHBondContact O-N 3.35Å; R220-G223 VanDerWaalsContact O-N 3.15Å
221	M	94	Very high	75.5	Confident	78 Å²	78	100 Å²	100	38%	0.384	50%	0.497	S	S	.	.	H	α-helix	trans	-63.2	-30.1	176.5	-71.8	175	66.9	0	0	113.1	L180 I206 V217 L218 Q219 G223	L180-M221 HydrophobicContact CD2-CB 3.55Å; I206-M221 HydrophobicContact CD1-CE 4.38Å; I206-M221 HydrophobicContact CG2-CE 3.92Å; I206-M221 HydrophobicContact CG2-SD 3.38Å; I206-M221 WeakPolarHBondContact CG2-SD 3.19Å; V217-M221 HydrophobicContact CG1-CG 4.4Å; V217-M221 HydrophobicContact CG1-SD 3.99Å; V217-M221 WeakPolarHBondContact O-CG 3.28Å; V217-M221 PolarHBondContact O-N 2.81Å; L218-M221 HydrophobicContact CD2-SD 4.22Å; L218-M221 PolarHBondContact O-N 2.89Å; Q219-M221 VanDerWaalsContact C-N 3.34Å; Q219-M221 PolarHBondContact O-N 2.84Å; M221-G223 PolarHBondContact O-N 3.09Å
222	S	91.5	Very high	72.7	Confident	22 Å²	22	102.3 Å²	102.3	15%	0.154	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	1	177.1	74.4	0	0	0	0	114	L218 Q219 R220 S224	L218-S222 PolarHBondContact O-N 3.29Å; Q219-S222 PolarHBondContact O-N 3.02Å; Q219-S222 VanDerWaalsContact O-N 3.14Å; Q219-S222 PolarHBondContact O-OG 3.01Å; R220-S222 PolarHBondContact O-N 3.08Å; S222-S224 PolarHBondContact O-N 3.11Å; S222-S224 PolarHBondContact OG-OG 2.56Å
223	G	84.2	Confident	69.9	Low	68 Å²	68	101.6 Å²	101.6	70%	0.701	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	9.1	-177.6	0	0	0	0	0	113.7	R220 M221 E225	R220-G223 PolarHBondContact O-N 3.35Å; R220-G223 VanDerWaalsContact O-N 3.15Å; M221-G223 PolarHBondContact O-N 3.09Å; G223-E225 PolarHBondContact O-N 2.97Å
224	S	68.9	Low	67	Low	50 Å²	50	101.6 Å²	101.6	35%	0.35	53%	0.534	S	S	.	.			trans	-88.8	105.2	176.6	-61.7	0	0	0	0	109	S222	S222-S224 PolarHBondContact O-N 3.11Å; S222-S224 PolarHBondContact OG-OG 2.56Å
225	E	52.6	Low	63.9	Low	166 Å²	166	110.8 Å²	110.8	78%	0.776	58%	0.577	S	S	*	*			trans	-56.6	146.4	163.5	-79.6	-178.8	165.4	0	0	109.7	G223 R227	G223-E225 PolarHBondContact O-N 2.97Å; E225-R227 VanDerWaalsContact C-N 3.32Å; E225-R227 PolarHBondContact O-N 2.99Å
226	P	47	Very low	61.1	Low	119 Å²	119	114.6 Å²	114.6	77%	0.773	60%	0.604	S	S	*	*			trans	-61.6	98.8	170.1	26	-31.5	0	0	0	108	L228	P226-L228 PolarHBondContact O-N 3.22Å
227	R	44.7	Very low	58.2	Low	223 Å²	223	114.6 Å²	114.6	84%	0.842	61%	0.607	S	S	*	*			trans	-67.1	105.7	169.4	-69.5	-174.5	-178.8	-175.8	-1	106.8	E225 E229	E225-R227 VanDerWaalsContact C-N 3.32Å; E225-R227 PolarHBondContact O-N 2.99Å; R227-E229 PolarHBondContact O-N 3.48Å
228	L	40.8	Very low	55.6	Low	159 Å²	159	118 Å²	118	83%	0.832	63%	0.627	S	S	*	*			trans	-55.4	122.3	150.5	-70.1	167.6	0	0	0	105	P226 E230	P226-L228 PolarHBondContact O-N 3.22Å; L228-E230 PolarHBondContact O-N 2.79Å
229	E	36.6	Very low	52.8	Low	161 Å²	161	125.2 Å²	125.2	75%	0.752	66%	0.659	S	S	*	*			trans	-59.2	98.8	-179.8	-68.1	-171.5	142.4	0	0	109	R73 R227 N231	R73-E229 IonicContact NH1-OE1 3.1Å; R73-E229 PolarHBondContact NH1-OE1 3.17Å; R227-E229 PolarHBondContact O-N 3.48Å; E229-N231 PolarHBondContact O-N 2.98Å; E229-N231 VanDerWaalsContact O-N 3.15Å
230	E	32.7	Very low	50.3	Low	189 Å²	189	128.2 Å²	128.2	88%	0.883	68%	0.682	S	S	*	*			trans	-73.2	102.5	167.3	-79.1	-174.9	165.7	0	0	107.6	L228 S232	L228-E230 PolarHBondContact O-N 2.79Å; E230-S232 PolarHBondContact O-N 3.09Å; E230-S232 VanDerWaalsContact O-N 3.1Å
231	N	35.3	Very low	47.5	Very low	120 Å²	120	124 Å²	124	64%	0.642	68%	0.678	S	S	*	*			trans	-69.1	102.3	178.2	-144.8	11.6	0	0	0	108.5	E229 Q233	E229-N231 PolarHBondContact O-N 2.98Å; E229-N231 VanDerWaalsContact O-N 3.15Å; N231-Q233 PolarHBondContact O-N 3.1Å
232	S	36.6	Very low	45.1	Very low	118 Å²	118	125.4 Å²	125.4	83%	0.825	69%	0.693	S	S	*	*			trans	-75.4	113.4	176.7	51.1	0	0	0	0	110.1	E230	E230-S232 PolarHBondContact O-N 3.09Å; E230-S232 VanDerWaalsContact O-N 3.1Å
233	Q	34.5	Very low	43.3	Very low	113 Å²	113	130.1 Å²	130.1	53%	0.528	72%	0.715	S	S	.	*	P	Polyproline II helix	trans	-92.6	132.8	179.7	-71.8	-177.4	-42.3	0	0	111.7	F17 N231	F17-Q233 VanDerWaalsContact CG-NE2 3.32Å; N231-Q233 PolarHBondContact O-N 3.1Å
234	A	36.1	Very low	41.6	Very low	96 Å²	96	133.1 Å²	133.1	79%	0.793	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-95.7	126.8	153.4	0	0	0	0	0	108.3
235	E	32.4	Very low	41.3	Very low	194 Å²	194	132.1 Å²	132.1	91%	0.907	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-73.5	123.8	178.7	-162.7	174.4	-154.2	0	0	109.8
236	V	38.5	Very low	42	Very low	118 Å²	118	133.2 Å²	133.2	72%	0.715	70%	0.703	S	S	*	*			trans	-123.3	110.8	161.9	179	0	0	0	0	107.6	V238	V236-V238 HydrophobicContact CG1-CG2 4.3Å; V236-V238 PolarHBondContact O-N 3.08Å
237	D	33.4	Very low	43.6	Very low	111 Å²	111	130 Å²	130	59%	0.594	68%	0.676	S	S	*	*			trans	-64.1	91.3	173	-174.8	23.1	0	0	0	109.5	K239	D237-K239 VanDerWaalsContact C-N 3.28Å; D237-K239 PolarHBondContact O-N 3.47Å; D237-K239 VanDerWaalsContact O-N 3.15Å; D237-K239 WeakPolarHBondContact OD2-CE 3.44Å; D237-K239 IonicContact OD2-NZ 2.83Å; D237-K239 PolarHBondContact OD2-NZ 2.92Å
238	V	43.1	Very low	45.6	Very low	112 Å²	112	121 Å²	121	68%	0.679	65%	0.647	S	S	*	*			trans	-85	77.5	169.3	-172.1	0	0	0	0	108.2	V236 T240	V236-V238 HydrophobicContact CG1-CG2 4.3Å; V236-V238 PolarHBondContact O-N 3.08Å; V238-T240 HydrophobicContact CG1-CG2 4.23Å; V238-T240 PolarHBondContact O-N 2.67Å; V238-T240 VanDerWaalsContact O-N 3.08Å
239	K	37.4	Very low	48	Very low	152 Å²	152	115.8 Å²	115.8	66%	0.661	62%	0.622	S	S	*	*			trans	-63.6	106.2	159.7	-81.6	170	-175.9	143.7	0	108.3	D237 T241	D237-K239 VanDerWaalsContact C-N 3.28Å; D237-K239 PolarHBondContact O-N 3.47Å; D237-K239 VanDerWaalsContact O-N 3.15Å; D237-K239 WeakPolarHBondContact OD2-CE 3.44Å; D237-K239 IonicContact OD2-NZ 2.83Å; D237-K239 PolarHBondContact OD2-NZ 2.92Å; K239-T241 PolarHBondContact O-N 3.39Å
240	T	40.6	Very low	50.8	Low	129 Å²	129	108.3 Å²	108.3	79%	0.791	59%	0.588	S	S	*	*			trans	-72.9	65.6	172.6	44.1	0	0	0	0	110.9	V238	V238-T240 HydrophobicContact CG1-CG2 4.23Å; V238-T240 PolarHBondContact O-N 2.67Å; V238-T240 VanDerWaalsContact O-N 3.08Å
241	T	35.9	Very low	53.8	Low	106 Å²	106	101.9 Å²	101.9	65%	0.65	56%	0.556	S	S	*	*			trans	-66.2	134.2	146.9	-39.6	0	0	0	0	105.6	K239 I243	K239-T241 PolarHBondContact O-N 3.39Å; T241-I243 VanDerWaalsContact C-N 3.34Å; T241-I243 PolarHBondContact O-N 3.26Å
242	P	44	Very low	56.7	Low	108 Å²	108	96.1 Å²	96.1	70%	0.701	53%	0.525	S	S	*	.			trans	-55.6	104.4	171.7	-19	29.3	0	0	0	107.1	Q244	P242-Q244 PolarHBondContact O-N 3.02Å
243	I	52.8	Low	59.5	Low	120 Å²	120	90.6 Å²	90.6	62%	0.615	49%	0.486	S	S	*	.			trans	-62.5	111.9	175.2	-62	174.8	0	0	0	103.5	T241 I245	T241-I243 VanDerWaalsContact C-N 3.34Å; T241-I243 PolarHBondContact O-N 3.26Å; I243-I245 HydrophobicContact CB-CG1 4.36Å; I243-I245 HydrophobicContact CG2-CG1 4Å; I243-I245 PolarHBondContact O-N 3.34Å
244	Q	49.9	Very low	62.5	Low	131 Å²	131	85.3 Å²	85.3	61%	0.612	46%	0.461	S	S	*	.			trans	-66.6	87.2	166.2	-71.3	-70.1	-24.4	0	0	105.5	P242 K246	P242-Q244 PolarHBondContact O-N 3.02Å; Q244-K246 PolarHBondContact O-N 2.74Å
245	I	61.8	Low	65.4	Low	29 Å²	29	80.7 Å²	80.7	15%	0.149	42%	0.424	C	S	.	.			trans	-64.6	109.7	-178.9	-61.1	153.6	0	0	0	105.5	I243 Y247 P473 Y481	I243-I245 HydrophobicContact CB-CG1 4.36Å; I243-I245 HydrophobicContact CG2-CG1 4Å; I243-I245 PolarHBondContact O-N 3.34Å; I245-Y247 WeakPolarHBondContact O-CD2 3.49Å; I245-Y247 PolarHBondContact O-N 3.33Å; I245-P473 HydrophobicContact CD1-CG 3.48Å; I245-P473 VanDerWaalsContact CD1-CG 3.48Å; I245-Y481 PolarHBondContact N-OH 3.43Å; I245-Y481 PolarHBondContact O-OH 3.17Å
246	K	67.9	Low	68.5	Low	190 Å²	190	71.5 Å²	71.5	83%	0.826	38%	0.381	S	S	*	.			trans	-64.7	109.6	172.6	-174	176.9	-177.6	179.4	0	106.8	Q244 P248	Q244-K246 PolarHBondContact O-N 2.74Å; K246-P248 WeakPolarHBondContact O-CD 3.23Å
247	Y	80.8	Confident	71.3	Confident	50 Å²	50	66.9 Å²	66.9	20%	0.196	35%	0.35	C	S	.	.			trans	-74.7	112.2	171.3	-75.1	-87.2	0	0	0	108.4	I245 V475 F477 P479 Y481 L482	I245-Y247 WeakPolarHBondContact O-CD2 3.49Å; I245-Y247 PolarHBondContact O-N 3.33Å; Y247-V475 VanDerWaalsContact OH-CG2 3.23Å; Y247-V475 WeakPolarHBondContact OH-CG2 3.05Å; Y247-F477 HydrophobicContact CD1-CD2 4.12Å; Y247-F477 AromaticContact CD1-CE2 3.61Å; Y247-F477 HydrophobicContact CD1-CE2 3.61Å; Y247-F477 AromaticContact CE1-CD2 3.61Å; Y247-F477 HydrophobicContact CE1-CD2 3.61Å; Y247-F477 AromaticContact CE1-CE2 3.59Å; Y247-F477 HydrophobicContact CE1-CE2 3.59Å; Y247-F477 HydrophobicContact CG-CE2 4.24Å; Y247-P479 HydrophobicContact CD2-CG 4.5Å; Y247-P479 HydrophobicContact CE2-CG 3.43Å; Y247-P479 VanDerWaalsContact CE2-CG 3.43Å; Y247-P479 WeakPolarHBondContact OH-CD 3.35Å; Y247-P479 WeakPolarHBondContact OH-CG 3.39Å; Y247-Y481 HydrophobicContact CD2-CE2 4.25Å; Y247-Y481 HydrophobicContact CE2-CE2 4.06Å; Y247-Y481 AromaticContact CE2-CZ 3.77Å; Y247-Y481 WeakPolarHBondContact CE2-OH 3.42Å; Y247-L482 HydrophobicContact CD1-CD2 4.36Å; Y247-L482 HydrophobicContact CD2-CB 4.5Å; Y247-L482 HydrophobicContact CD2-CD1 4.19Å; Y247-L482 HydrophobicContact CD2-CD2 3.52Å; Y247-L482 HydrophobicContact CD2-CG 4.29Å; Y247-L482 HydrophobicContact CE2-CD2 3.99Å; Y247-L482 HydrophobicContact CG-CD2 3.69Å
248	P	86.1	Confident	74.4	Confident	36 Å²	36	61.6 Å²	61.6	23%	0.234	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-63.4	156.2	175.9	28.6	-35.3	0	0	0	110.3	K246 Y251 A338 R514	K246-P248 WeakPolarHBondContact O-CD 3.23Å; P248-Y251 HydrophobicContact CB-CE2 4.31Å; P248-A338 HydrophobicContact CB-CB 3.69Å; P248-A338 HydrophobicContact CG-CB 3.48Å; P248-A338 VanDerWaalsContact CG-CB 3.48Å; P248-R514 PolarHBondContact O-NH1 2.91Å; P248-R514 VanDerWaalsContact O-NH1 3.14Å; P248-R514 PolarHBondContact O-NH2 3.29Å
249	P	92.1	Very high	77	Confident	49 Å²	49	56.3 Å²	56.3	32%	0.318	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-62.4	170	167.1	30.8	-35.7	0	0	0	110.2	Y251 K521	P249-Y251 HydrophobicContact CG-CD2 4.39Å; P249-Y251 HydrophobicContact CG-CE2 3.75Å; P249-Y251 WeakPolarHBondContact O-CD2 3.3Å; P249-Y251 PolarHBondContact O-N 2.76Å; P249-K521 HydrophobicContact CB-CG 4.13Å; P249-K521 HydrophobicContact CG-CG 3.68Å
250	V	95.6	Very high	79.8	Confident	4 Å²	4	49 Å²	49	2%	0.024	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-71.1	127.9	170.5	174	0	0	0	0	108.9	V255 T355 R514 Y515 W520 K521	V250-V255 HydrophobicContact CG1-CG2 4.24Å; V250-T355 HydrophobicContact CB-CG2 4.39Å; V250-T355 HydrophobicContact CG1-CG2 3.61Å; V250-T355 HydrophobicContact CG2-CG2 4.06Å; V250-R514 HydrophobicContact CG2-CG 4.4Å; V250-R514 WeakPolarHBondContact CG2-O 3.4Å; V250-Y515 HydrophobicContact CG2-CD1 3.66Å; V250-Y515 HydrophobicContact CG2-CE1 3.9Å; V250-W520 HydrophobicContact CB-CG 4.15Å; V250-W520 HydrophobicContact CG1-CB 4.46Å; V250-W520 VanDerWaalsContact CG1-CD1 3.48Å; V250-W520 HydrophobicContact CG1-CD2 3.99Å; V250-W520 HydrophobicContact CG1-CG 3.72Å; V250-W520 CarbonylContact O-C 3.58Å; V250-W520 VanDerWaalsContact O-CA 3.3Å; V250-W520 WeakPolarHBondContact O-CA 3.49Å; V250-K521 PolarHBondContact O-N 2.79Å
251	Y	95.7	Very high	82.5	Confident	53 Å²	53	43.3 Å²	43.3	21%	0.208	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-101.5	127.8	171.7	-76.2	-102.1	0	0	0	109.1	P248 P249 V253 D254 I337 A338 K521 V523	P248-Y251 HydrophobicContact CB-CE2 4.31Å; P249-Y251 HydrophobicContact CG-CD2 4.39Å; P249-Y251 HydrophobicContact CG-CE2 3.75Å; P249-Y251 WeakPolarHBondContact O-CD2 3.3Å; P249-Y251 PolarHBondContact O-N 2.76Å; Y251-V253 PolarHBondContact O-N 3.37Å; Y251-D254 PolarHBondContact O-N 2.99Å; Y251-I337 HydrophobicContact CD1-CB 3.98Å; Y251-I337 HydrophobicContact CD1-CD1 3.78Å; Y251-I337 HydrophobicContact CD1-CG1 4.48Å; Y251-I337 HydrophobicContact CD1-CG2 3.68Å; Y251-I337 HydrophobicContact CD2-CG2 4.19Å; Y251-I337 HydrophobicContact CE1-CB 4.38Å; Y251-I337 HydrophobicContact CE1-CD1 4.27Å; Y251-I337 HydrophobicContact CE1-CG2 3.57Å; Y251-I337 HydrophobicContact CE2-CG2 4.08Å; Y251-I337 HydrophobicContact CG-CB 4.05Å; Y251-I337 HydrophobicContact CG-CG2 3.99Å; Y251-A338 HydrophobicContact CD2-CB 3.44Å; Y251-A338 VanDerWaalsContact CD2-CB 3.44Å; Y251-A338 HydrophobicContact CE2-CB 3.92Å; Y251-A338 HydrophobicContact CG-CB 4.38Å; Y251-K521 HydrophobicContact CD1-CB 3.73Å; Y251-K521 HydrophobicContact CE1-CB 3.79Å; Y251-K521 HydrophobicContact CE1-CG 4.32Å; Y251-K521 HydrophobicContact CG-CB 4.19Å; Y251-V523 HydrophobicContact CE1-CG2 4.3Å
252	A	95.9	Very high	85.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	-33.1	179	0	0	0	0	0	111.7	D254 V255 Y256 W520 K521 Y522 L525	A252-D254 VanDerWaalsContact C-N 3.29Å; A252-D254 PolarHBondContact O-N 3.47Å; A252-V255 WeakPolarHBondContact O-CB 3.35Å; A252-V255 PolarHBondContact O-N 3.16Å; A252-Y256 HydrophobicContact CB-CD2 4.42Å; A252-Y256 VanDerWaalsContact O-CD2 3.28Å; A252-Y256 WeakPolarHBondContact O-CD2 3.2Å; A252-Y256 PolarHBondContact O-N 3.33Å; A252-W520 HydrophobicContact CB-CE3 3.92Å; A252-K521 PolarHBondContact N-O 3.43Å; A252-Y522 HydrophobicContact CB-CD1 3.56Å; A252-Y522 HydrophobicContact CB-CE1 3.65Å; A252-Y522 HydrophobicContact CB-CG 4.25Å; A252-L525 HydrophobicContact CB-CD2 3.72Å
253	V	95.9	Very high	88	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-53.5	-43	172.7	166.9	0	0	0	0	112.3	Y251 V255 Y256 R257 Y332 P335 I337 V523 L525	Y251-V253 PolarHBondContact O-N 3.37Å; V253-V255 VanDerWaalsContact C-N 3.33Å; V253-V255 PolarHBondContact O-N 2.93Å; V253-Y256 PolarHBondContact O-N 3.05Å; V253-R257 WeakPolarHBondContact O-CB 3.46Å; V253-R257 PolarHBondContact O-N 2.91Å; V253-Y332 HydrophobicContact CG1-CE1 3.6Å; V253-P335 WeakPolarHBondContact CG1-O 3.36Å; V253-I337 HydrophobicContact CB-CD1 4.14Å; V253-I337 HydrophobicContact CG1-CD1 4.27Å; V253-I337 HydrophobicContact CG1-CG1 4.27Å; V253-I337 HydrophobicContact CG2-CD1 4.18Å; V253-V523 WeakPolarHBondContact CG2-O 3.48Å; V253-L525 HydrophobicContact CG2-CB 4.39Å; V253-L525 HydrophobicContact CG2-CD1 4.06Å
254	D	97.1	Very high	90	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.011	14%	0.135	C	C	.	.	H	α-helix	trans	-69.1	-34.7	-178.2	-66.8	-25.8	0	0	0	112	Y251 A252 S258 F336 I337 A338 C339	Y251-D254 PolarHBondContact O-N 2.99Å; A252-D254 VanDerWaalsContact C-N 3.29Å; A252-D254 PolarHBondContact O-N 3.47Å; D254-S258 WeakPolarHBondContact O-CB 3.44Å; D254-S258 PolarHBondContact O-N 3.31Å; D254-S258 PolarHBondContact O-OG 3.16Å; D254-F336 HydrophobicContact CB-CD1 4.17Å; D254-F336 VanDerWaalsContact OD1-CA 3.23Å; D254-F336 WeakPolarHBondContact OD1-CA 3.35Å; D254-F336 WeakPolarHBondContact OD1-CB 3.3Å; D254-F336 WeakPolarHBondContact OD1-CD1 3.04Å; D254-I337 PolarHBondContact OD1-N 3.29Å; D254-A338 WeakPolarHBondContact OD2-CA 3.34Å; D254-A338 VanDerWaalsContact OD2-CB 3.26Å; D254-A338 WeakPolarHBondContact OD2-CB 3.32Å; D254-A338 PolarHBondContact OD2-N 2.82Å; D254-C339 HydrophobicContact CB-CB 4.28Å; D254-C339 PolarHBondContact OD2-N 2.97Å
255	V	97.4	Very high	92.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.1	-54.3	175.2	177.5	0	0	0	0	110.2	V250 A252 V253 S258 L259 T355 L356 W520	V250-V255 HydrophobicContact CG1-CG2 4.24Å; A252-V255 WeakPolarHBondContact O-CB 3.35Å; A252-V255 PolarHBondContact O-N 3.16Å; V253-V255 VanDerWaalsContact C-N 3.33Å; V253-V255 PolarHBondContact O-N 2.93Å; V255-S258 PolarHBondContact O-N 2.94Å; V255-S258 PolarHBondContact O-OG 3.36Å; V255-L259 WeakPolarHBondContact O-CB 3.17Å; V255-L259 PolarHBondContact O-N 3.37Å; V255-T355 HydrophobicContact CG2-CG2 3.84Å; V255-L356 HydrophobicContact CG1-CB 4.15Å; V255-L356 HydrophobicContact CG1-CD1 3.67Å; V255-L356 HydrophobicContact CG1-CG 4.49Å; V255-W520 HydrophobicContact CG1-CH2 4.45Å
256	Y	97.4	Very high	93.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-71.8	-33	-176.5	-76.1	-69.4	0	0	0	113.5	A252 V253 S260 L292 P293 A294 Y298 L525 F529	A252-Y256 HydrophobicContact CB-CD2 4.42Å; A252-Y256 VanDerWaalsContact O-CD2 3.28Å; A252-Y256 WeakPolarHBondContact O-CD2 3.2Å; A252-Y256 PolarHBondContact O-N 3.33Å; V253-Y256 PolarHBondContact O-N 3.05Å; Y256-S260 VanDerWaalsContact O-CB 3.3Å; Y256-S260 WeakPolarHBondContact O-CB 3.39Å; Y256-S260 PolarHBondContact O-N 3.05Å; Y256-S260 PolarHBondContact O-OG 3.45Å; Y256-L292 HydrophobicContact CE1-CD2 3.98Å; Y256-P293 PolarHBondContact OH-O 3.42Å; Y256-A294 WeakPolarHBondContact OH-CA 3.34Å; Y256-A294 VanDerWaalsContact OH-CB 3.24Å; Y256-A294 WeakPolarHBondContact OH-CB 3.17Å; Y256-Y298 HydrophobicContact CE1-CE1 4.31Å; Y256-L525 HydrophobicContact CD2-CD1 4.31Å; Y256-L525 HydrophobicContact CD2-CD2 3.83Å; Y256-L525 HydrophobicContact CE2-CD2 4.1Å; Y256-F529 HydrophobicContact CD1-CB 4.24Å; Y256-F529 AromaticContact CD1-CD1 3.41Å; Y256-F529 HydrophobicContact CD1-CD1 3.41Å; Y256-F529 VanDerWaalsContact CD1-CD1 3.41Å; Y256-F529 HydrophobicContact CD1-CE1 4.14Å; Y256-F529 HydrophobicContact CD1-CG 4.19Å; Y256-F529 HydrophobicContact CD2-CB 3.88Å; Y256-F529 HydrophobicContact CD2-CD1 4.41Å; Y256-F529 HydrophobicContact CD2-CG 4.43Å; Y256-F529 HydrophobicContact CE1-CB 4.21Å; Y256-F529 AromaticContact CE1-CD1 3.83Å; Y256-F529 HydrophobicContact CE1-CD1 3.83Å; Y256-F529 HydrophobicContact CE2-CB 3.87Å; Y256-F529 VanDerWaalsContact CE2-O 3.28Å; Y256-F529 WeakPolarHBondContact CE2-O 3.43Å; Y256-F529 HydrophobicContact CG-CB 4.08Å; Y256-F529 AromaticContact CG-CD1 3.74Å; Y256-F529 HydrophobicContact CG-CD1 3.74Å; Y256-F529 HydrophobicContact CG-CG 4.14Å; Y256-F529 VanDerWaalsContact CZ-O 3.28Å; Y256-F529 PolarHBondContact OH-O 2.97Å; Y256-F529 VanDerWaalsContact OH-O 3.06Å
257	R	96.6	Very high	95	Very high	22 Å²	22	12.8 Å²	12.8	8%	0.083	7%	0.065	C	C	.	.	H	α-helix	trans	-63.2	-48.9	173.1	-179.9	54.9	-176.4	158.7	-2.5	110.9	E92 V253 S260 M261 Y332 G334 F336	E92-R257 IonicContact OE2-CZ 3.29Å; E92-R257 IonicContact OE2-NH1 3.21Å; E92-R257 PolarHBondContact OE2-NH1 3.29Å; E92-R257 IonicContact OE2-NH2 2.88Å; E92-R257 PolarHBondContact OE2-NH2 3.15Å; E92-R257 VanDerWaalsContact OE2-NH2 3.16Å; V253-R257 WeakPolarHBondContact O-CB 3.46Å; V253-R257 PolarHBondContact O-N 2.91Å; R257-S260 PolarHBondContact O-N 2.83Å; R257-M261 HydrophobicContact CG-SD 4.19Å; R257-M261 WeakPolarHBondContact O-CG 3.32Å; R257-M261 PolarHBondContact O-N 3.26Å; R257-Y332 HydrophobicContact CB-CD1 3.77Å; R257-Y332 HydrophobicContact CB-CE1 4.26Å; R257-Y332 WeakPolarHBondContact CD-O 3.33Å; R257-Y332 HydrophobicContact CG-CD1 4.39Å; R257-Y332 PolarHBondContact NH1-O 3.38Å; R257-G334 PolarHBondContact NE-O 3.42Å; R257-F336 HydrophobicContact CB-CD1 4.34Å; R257-F336 HydrophobicContact CB-CE1 3.87Å; R257-F336 HydrophobicContact CB-CZ 4.28Å; R257-F336 HydrophobicContact CG-CD1 4.23Å; R257-F336 HydrophobicContact CG-CE1 3.67Å; R257-F336 HydrophobicContact CG-CE2 4.1Å; R257-F336 HydrophobicContact CG-CZ 3.58Å
258	S	97.7	Very high	95.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-66.4	-39.7	179.1	58.9	0	0	0	0	112.2	D254 V255 S260 M261 L262 Y349 G352 L353	D254-S258 WeakPolarHBondContact O-CB 3.44Å; D254-S258 PolarHBondContact O-N 3.31Å; D254-S258 PolarHBondContact O-OG 3.16Å; V255-S258 PolarHBondContact O-N 2.94Å; V255-S258 PolarHBondContact O-OG 3.36Å; S258-S260 VanDerWaalsContact C-N 3.32Å; S258-S260 PolarHBondContact O-N 3.22Å; S258-M261 PolarHBondContact O-N 2.84Å; S258-L262 WeakPolarHBondContact O-CB 3.31Å; S258-L262 PolarHBondContact O-N 3.43Å; S258-Y349 WeakPolarHBondContact O-CE2 3.39Å; S258-G352 PolarHBondContact OG-O 3Å; S258-L353 PolarHBondContact OG-N 3.42Å
259	L	98	Very high	96	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59.4	-43.7	172.3	-179.8	58.4	0	0	0	111.9	V255 M261 L262 L263 F284 L288 L292 Y298 L356	V255-L259 WeakPolarHBondContact O-CB 3.17Å; V255-L259 PolarHBondContact O-N 3.37Å; L259-M261 PolarHBondContact O-N 3.24Å; L259-L262 WeakPolarHBondContact O-CB 3.37Å; L259-L262 PolarHBondContact O-N 2.98Å; L259-L263 HydrophobicContact CD1-CD1 3.93Å; L259-L263 HydrophobicContact CD1-CG 3.96Å; L259-L263 HydrophobicContact CG-CD1 4.06Å; L259-L263 HydrophobicContact CG-CG 4.44Å; L259-L263 WeakPolarHBondContact O-CG 3.43Å; L259-L263 PolarHBondContact O-N 2.65Å; L259-F284 HydrophobicContact CD1-CE1 4.38Å; L259-L288 HydrophobicContact CD1-CD1 3.67Å; L259-L288 HydrophobicContact CD1-CD2 3.98Å; L259-L288 HydrophobicContact CD2-CD2 4.25Å; L259-L292 HydrophobicContact CD2-CD2 3.59Å; L259-Y298 HydrophobicContact CD2-CE1 4.27Å; L259-L356 HydrophobicContact CB-CD2 4.19Å; L259-L356 HydrophobicContact CD1-CD2 4.13Å
260	S	97.3	Very high	96.1	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-63.2	-42.1	178.1	-58.9	0	0	0	0	111.7	Y256 R257 S258 Q264 Y332	Y256-S260 VanDerWaalsContact O-CB 3.3Å; Y256-S260 WeakPolarHBondContact O-CB 3.39Å; Y256-S260 PolarHBondContact O-N 3.05Å; Y256-S260 PolarHBondContact O-OG 3.45Å; R257-S260 PolarHBondContact O-N 2.83Å; S258-S260 VanDerWaalsContact C-N 3.32Å; S258-S260 PolarHBondContact O-N 3.22Å; S260-Q264 WeakPolarHBondContact O-CB 3.38Å; S260-Q264 PolarHBondContact O-N 3.33Å; S260-Y332 PolarHBondContact OG-N 3.44Å
261	M	96.9	Very high	95.9	Very high	9 Å²	9	10.3 Å²	10.3	4%	0.044	5%	0.051	C	C	.	.	H	α-helix	trans	-65	-39.6	174.7	-68.9	175.1	71.6	0	0	112.1	E90 R257 S258 L259 S265 D266 F336 Y349	E90-M261 HydrophobicContact CG-CE 3.44Å; E90-M261 VanDerWaalsContact CG-CE 3.44Å; R257-M261 HydrophobicContact CG-SD 4.19Å; R257-M261 WeakPolarHBondContact O-CG 3.32Å; R257-M261 PolarHBondContact O-N 3.26Å; S258-M261 PolarHBondContact O-N 2.84Å; L259-M261 PolarHBondContact O-N 3.24Å; M261-S265 WeakPolarHBondContact O-CA 3.27Å; M261-S265 WeakPolarHBondContact O-CB 3.4Å; M261-S265 PolarHBondContact O-N 3.07Å; M261-D266 PolarHBondContact O-N 3.16Å; M261-F336 HydrophobicContact SD-CE2 4.06Å; M261-F336 HydrophobicContact SD-CZ 3.73Å; M261-Y349 HydrophobicContact CB-CD2 3.84Å; M261-Y349 HydrophobicContact CB-CE2 3.65Å; M261-Y349 HydrophobicContact CB-CG 4.47Å; M261-Y349 HydrophobicContact CE-CD1 4.07Å; M261-Y349 HydrophobicContact CE-CD2 4.1Å; M261-Y349 HydrophobicContact CE-CG 3.68Å; M261-Y349 HydrophobicContact CG-CD2 4.5Å; M261-Y349 HydrophobicContact SD-CD2 3.92Å; M261-Y349 HydrophobicContact SD-CG 4.06Å
262	L	97.6	Very high	95.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-63	-50.3	178	-171.3	66.5	0	0	0	111.5	S258 L259 D266 V267 F284 Y349 L353 F386 I387	S258-L262 WeakPolarHBondContact O-CB 3.31Å; S258-L262 PolarHBondContact O-N 3.43Å; L259-L262 WeakPolarHBondContact O-CB 3.37Å; L259-L262 PolarHBondContact O-N 2.98Å; L262-D266 HydrophobicContact CD1-CB 4.21Å; L262-D266 WeakPolarHBondContact O-CB 3.47Å; L262-D266 PolarHBondContact O-N 3.2Å; L262-V267 PolarHBondContact O-N 3.24Å; L262-V267 VanDerWaalsContact O-N 3.11Å; L262-F284 HydrophobicContact CD2-CE1 3.77Å; L262-F284 HydrophobicContact CD2-CZ 3.74Å; L262-Y349 VanDerWaalsContact CA-OH 3.26Å; L262-Y349 WeakPolarHBondContact CA-OH 3.33Å; L262-Y349 HydrophobicContact CB-CE2 4.44Å; L262-Y349 WeakPolarHBondContact CD1-OH 3.44Å; L262-L353 HydrophobicContact CB-CD2 4.17Å; L262-L353 HydrophobicContact CD1-CD1 4.43Å; L262-L353 HydrophobicContact CD1-CD2 4.17Å; L262-L353 HydrophobicContact CD2-CD2 3.82Å; L262-L353 HydrophobicContact CG-CD2 4.3Å; L262-F386 HydrophobicContact CD1-CE1 3.81Å; L262-F386 HydrophobicContact CD2-CD1 4.48Å; L262-F386 HydrophobicContact CD2-CE1 3.62Å; L262-F386 HydrophobicContact CD2-CZ 4.33Å; L262-F386 HydrophobicContact CG-CE1 3.7Å; L262-F386 HydrophobicContact CG-CZ 4.14Å; L262-I387 HydrophobicContact CD1-CD1 4.42Å
263	L	97.2	Very high	96	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-70	-44.6	179.8	-64.5	177.9	0	0	0	111.6	L259 V267 L285 L288 W320 F329	L259-L263 HydrophobicContact CD1-CD1 3.93Å; L259-L263 HydrophobicContact CD1-CG 3.96Å; L259-L263 HydrophobicContact CG-CD1 4.06Å; L259-L263 HydrophobicContact CG-CG 4.44Å; L259-L263 WeakPolarHBondContact O-CG 3.43Å; L259-L263 PolarHBondContact O-N 2.65Å; L263-V267 WeakPolarHBondContact O-CB 3.48Å; L263-L285 HydrophobicContact CD2-CD2 4.47Å; L263-L288 HydrophobicContact CD2-CD1 4.49Å; L263-W320 HydrophobicContact CB-CZ2 4.34Å; L263-W320 HydrophobicContact CD2-CZ2 4.07Å; L263-W320 PolarHBondContact O-NE1 2.94Å; L263-F329 HydrophobicContact CD1-CE1 3.82Å; L263-F329 HydrophobicContact CD1-CZ 3.97Å
264	Q	94.3	Very high	96.1	Very high	28 Å²	28	15.8 Å²	15.8	13%	0.131	8%	0.077	C	C	.	.	I	π-helix	trans	-78.6	-51.2	-175.3	-168.3	-179.6	37.4	0	0	112.2	M95 Y99 S260 G268 L331	M95-Q264 HydrophobicContact CE-CG 4.04Å; M95-Q264 HydrophobicContact SD-CG 3.74Å; Y99-Q264 PolarHBondContact OH-O 2.77Å; S260-Q264 WeakPolarHBondContact O-CB 3.38Å; S260-Q264 PolarHBondContact O-N 3.33Å; Q264-G268 WeakPolarHBondContact O-CA 3.07Å; Q264-G268 PolarHBondContact O-N 2.99Å; Q264-L331 HydrophobicContact CB-CD1 3.97Å; Q264-L331 HydrophobicContact CB-CD2 4.31Å; Q264-L331 HydrophobicContact CG-CD1 3.91Å
265	S	93.9	Very high	96.1	Very high	14 Å²	14	17.5 Å²	17.5	10%	0.098	10%	0.095	C	C	.	.	I	π-helix	trans	-90.3	-46.6	-167.9	-163.7	0	0	0	0	112.8	R55 M261 A269	R55-S265 PolarHBondContact NH1-OG 2.9Å; R55-S265 PolarHBondContact NH2-OG 2.79Å; M261-S265 WeakPolarHBondContact O-CA 3.27Å; M261-S265 WeakPolarHBondContact O-CB 3.4Å; M261-S265 PolarHBondContact O-N 3.07Å; S265-A269 VanDerWaalsContact O-CB 3.24Å; S265-A269 WeakPolarHBondContact O-CB 3.34Å; S265-A269 PolarHBondContact O-N 2.8Å
266	D	95.6	Very high	96	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.11	C	C	.	.	I	π-helix	trans	-79.4	-43.7	-173.6	-78.6	3.1	0	0	0	112.2	R55 M261 L262 Y349 F390 F391 S392	R55-D266 IonicContact CZ-OD1 3.46Å; R55-D266 IonicContact NE-OD1 3.75Å; R55-D266 IonicContact NH2-OD1 3.54Å; R55-D266 PolarHBondContact NH2-OD1 3.37Å; M261-D266 PolarHBondContact O-N 3.16Å; L262-D266 HydrophobicContact CD1-CB 4.21Å; L262-D266 WeakPolarHBondContact O-CB 3.47Å; L262-D266 PolarHBondContact O-N 3.2Å; D266-Y349 VanDerWaalsContact CG-OH 3.3Å; D266-Y349 PolarHBondContact OD2-OH 3.42Å; D266-F390 WeakPolarHBondContact CB-O 3.36Å; D266-F391 WeakPolarHBondContact OD2-CA 3.31Å; D266-F391 WeakPolarHBondContact OD2-CD2 3.26Å; D266-S392 WeakPolarHBondContact OD1-CB 3.4Å; D266-S392 PolarHBondContact OD1-OG 2.78Å; D266-S392 PolarHBondContact OD2-N 2.87Å; D266-S392 VanDerWaalsContact OD2-N 3.12Å; D266-S392 PolarHBondContact OD2-OG 3.38Å
267	V	96.6	Very high	96.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-42.1	171.4	-177.6	0	0	0	0	110.8	L262 L263 A269 R270 I273 L281 W320 F386 F390	L262-V267 PolarHBondContact O-N 3.24Å; L262-V267 VanDerWaalsContact O-N 3.11Å; L263-V267 WeakPolarHBondContact O-CB 3.48Å; V267-A269 VanDerWaalsContact C-N 3.26Å; V267-A269 PolarHBondContact O-N 2.04Å; V267-R270 WeakPolarHBondContact O-CB 3.39Å; V267-R270 PolarHBondContact O-N 2.79Å; V267-I273 HydrophobicContact CG1-CD1 3.72Å; V267-L281 HydrophobicContact CG1-CD1 4.38Å; V267-L281 HydrophobicContact CG1-CD2 4.03Å; V267-L281 HydrophobicContact CG2-CD1 4.12Å; V267-W320 HydrophobicContact CB-CG 4.5Å; V267-W320 HydrophobicContact CG1-CB 4.43Å; V267-W320 HydrophobicContact CG1-CD2 3.77Å; V267-W320 HydrophobicContact CG1-CE3 4.47Å; V267-W320 HydrophobicContact CG1-CG 3.67Å; V267-F386 HydrophobicContact CG2-CE2 4.3Å; V267-F386 HydrophobicContact CG2-CZ 3.93Å; V267-F390 HydrophobicContact CB-CD1 4.21Å; V267-F390 HydrophobicContact CG1-CD1 4.27Å; V267-F390 HydrophobicContact CG1-CE1 4.08Å; V267-F390 HydrophobicContact CG2-CB 4.48Å; V267-F390 HydrophobicContact CG2-CD1 3.86Å; V267-F390 HydrophobicContact CG2-CE1 4.33Å; V267-F390 HydrophobicContact CG2-CG 4.19Å
268	G	94.6	Very high	96.1	Very high	3 Å²	3	19.5 Å²	19.5	3%	0.031	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.5	178.9	0	0	0	0	0	114.7	Y99 Q264 R270 G317	Y99-G268 VanDerWaalsContact CE1-C 3.48Å; Q264-G268 WeakPolarHBondContact O-CA 3.07Å; Q264-G268 PolarHBondContact O-N 2.99Å; G268-R270 PolarHBondContact O-N 3.06Å; G268-G317 CarbonylContact O-C 3.56Å; G268-G317 WeakPolarHBondContact O-CA 3.43Å
269	A	93.4	Very high	96.1	Very high	12 Å²	12	23.4 Å²	23.4	10%	0.099	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-8.1	178.8	0	0	0	0	0	114.6	Y99 S265 V267	Y99-A269 HydrophobicContact CE1-CB 4.07Å; S265-A269 VanDerWaalsContact O-CB 3.24Å; S265-A269 WeakPolarHBondContact O-CB 3.34Å; S265-A269 PolarHBondContact O-N 2.8Å; V267-A269 VanDerWaalsContact C-N 3.26Å; V267-A269 PolarHBondContact O-N 2.04Å
270	R	93.7	Very high	96.1	Very high	17 Å²	17	23.4 Å²	23.4	6%	0.064	13%	0.13	C	C	.	.			trans	-79.1	126.3	179.7	-69.9	-70.2	-58.8	149.8	0.7	111.1	V267 G268 K272 I273 G317 F390 N418	V267-R270 WeakPolarHBondContact O-CB 3.39Å; V267-R270 PolarHBondContact O-N 2.79Å; G268-R270 PolarHBondContact O-N 3.06Å; R270-K272 VanDerWaalsContact C-N 3.34Å; R270-K272 PolarHBondContact NH2-O 2.92Å; R270-K272 PolarHBondContact O-N 3.32Å; R270-I273 HydrophobicContact CB-CD1 4Å; R270-I273 HydrophobicContact CB-CG1 3.62Å; R270-I273 HydrophobicContact CG-CG1 4.19Å; R270-G317 VanDerWaalsContact O-CA 3.26Å; R270-G317 WeakPolarHBondContact O-CA 3.36Å; R270-G317 PolarHBondContact O-N 3.26Å; R270-F390 HydrophobicContact CG-CD1 3.81Å; R270-F390 HydrophobicContact CG-CE1 3.96Å; R270-N418 PolarHBondContact NH1-O 3.14Å; R270-N418 PolarHBondContact NH2-O 3.09Å
271	D	92.2	Very high	96.2	Very high	55 Å²	55	23.4 Å²	23.4	29%	0.294	13%	0.13	S	C	.	.	S	Bend	trans	-61.5	-43.5	172.3	-82.1	37.4	0	0	0	111.7	K102 Q104 T316	K102-D271 WeakPolarHBondContact CD-OD2 3.3Å; K102-D271 IonicContact NZ-OD2 3.21Å; K102-D271 PolarHBondContact NZ-OD2 3.01Å; Q104-D271 VanDerWaalsContact NE2-CB 3.33Å; Q104-D271 PolarHBondContact NE2-OD1 3.42Å; Q104-D271 PolarHBondContact NE2-OD2 2.94Å; D271-T316 WeakPolarHBondContact O-CB 3.27Å; D271-T316 VanDerWaalsContact O-CG2 3.31Å; D271-T316 WeakPolarHBondContact O-CG2 3.33Å
272	K	95.4	Very high	96.3	Very high	96 Å²	96	24.1 Å²	24.1	42%	0.417	13%	0.133	S	C	.	.			trans	-145.3	136.8	-178.3	-159.8	177.7	-175.7	-155.3	0	111.3	R270 E274 S314	R270-K272 VanDerWaalsContact C-N 3.34Å; R270-K272 PolarHBondContact NH2-O 2.92Å; R270-K272 PolarHBondContact O-N 3.32Å; K272-E274 WeakPolarHBondContact CD-OE1 3.21Å; K272-E274 VanDerWaalsContact CE-OE1 3.25Å; K272-E274 WeakPolarHBondContact CE-OE1 3.33Å; K272-E274 WeakPolarHBondContact CE-OE2 3.44Å; K272-E274 IonicContact NZ-OE1 3.66Å; K272-E274 PolarHBondContact NZ-OE1 3.42Å; K272-E274 IonicContact NZ-OE2 2.71Å; K272-E274 PolarHBondContact NZ-OE2 3.13Å; K272-S314 VanDerWaalsContact CE-OG 3.32Å; K272-S314 WeakPolarHBondContact CE-OG 3.49Å
273	I	97.3	Very high	96.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	104.3	-178.8	-53	168.9	0	0	0	107.3	V267 R270 A277 L278 L281 S314 I315 F390	V267-I273 HydrophobicContact CG1-CD1 3.72Å; R270-I273 HydrophobicContact CB-CD1 4Å; R270-I273 HydrophobicContact CB-CG1 3.62Å; R270-I273 HydrophobicContact CG-CG1 4.19Å; I273-A277 HydrophobicContact CG2-CB 4.38Å; I273-L278 HydrophobicContact CG2-CB 4.13Å; I273-L278 HydrophobicContact CG2-CD1 4.28Å; I273-L281 HydrophobicContact CG2-CD2 4.34Å; I273-S314 WeakPolarHBondContact O-CA 3.46Å; I273-I315 HydrophobicContact CB-CG1 3.92Å; I273-I315 HydrophobicContact CD1-CD1 4.32Å; I273-I315 HydrophobicContact CD1-CG1 4.19Å; I273-I315 HydrophobicContact CG2-CG1 4.45Å; I273-I315 PolarHBondContact N-O 3.39Å; I273-I315 PolarHBondContact O-N 2.81Å; I273-F390 HydrophobicContact CD1-CE1 3.94Å; I273-F390 HydrophobicContact CG1-CE1 4.07Å; I273-F390 HydrophobicContact CG2-CE1 4.11Å; I273-F390 HydrophobicContact CG2-CZ 3.85Å
274	E	97.4	Very high	96.3	Very high	73 Å²	73	25.6 Å²	25.6	34%	0.341	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	170.2	-179.7	67.4	-173.7	161.7	0	0	110	K272 A277 L278	K272-E274 WeakPolarHBondContact CD-OE1 3.21Å; K272-E274 VanDerWaalsContact CE-OE1 3.25Å; K272-E274 WeakPolarHBondContact CE-OE1 3.33Å; K272-E274 WeakPolarHBondContact CE-OE2 3.44Å; K272-E274 IonicContact NZ-OE1 3.66Å; K272-E274 PolarHBondContact NZ-OE1 3.42Å; K272-E274 IonicContact NZ-OE2 2.71Å; K272-E274 PolarHBondContact NZ-OE2 3.13Å; E274-A277 PolarHBondContact O-N 2.89Å; E274-L278 PolarHBondContact O-N 3.1Å
275	G	96.7	Very high	96.4	Very high	37 Å²	37	24.2 Å²	24.2	38%	0.381	13%	0.133	S	C	.	.	H	α-helix	trans	53.5	-134.4	175.9	0	0	0	0	0	112.5	A277 L278 E279	G275-A277 PolarHBondContact O-N 3.23Å; G275-L278 PolarHBondContact O-N 2.74Å; G275-E279 WeakPolarHBondContact O-CG 3.39Å; G275-E279 PolarHBondContact O-N 3.47Å
276	P	97.2	Very high	96.5	Very high	50 Å²	50	27.1 Å²	27.1	33%	0.325	15%	0.148	S	C	.	.	H	α-helix	trans	-55.6	-26.8	-178.3	-26.9	34.9	0	0	0	115.2	A280 R389	P276-A280 WeakPolarHBondContact O-CB 3.46Å; P276-A280 PolarHBondContact O-N 2.92Å; P276-A280 VanDerWaalsContact O-N 3.14Å; P276-R389 PolarHBondContact O-NE 3.42Å
277	A	97.6	Very high	96.5	Very high	13 Å²	13	27.9 Å²	27.9	11%	0.107	15%	0.152	C	C	.	.	H	α-helix	trans	-75.8	-40.2	176.5	0	0	0	0	0	113	I273 E274 G275 A280 L281 F390	I273-A277 HydrophobicContact CG2-CB 4.38Å; E274-A277 PolarHBondContact O-N 2.89Å; G275-A277 PolarHBondContact O-N 3.23Å; A277-A280 PolarHBondContact O-N 2.9Å; A277-L281 PolarHBondContact O-N 2.96Å; A277-L281 VanDerWaalsContact O-N 3.09Å; A277-F390 HydrophobicContact CB-CZ 4.35Å; A277-F390 WeakPolarHBondContact O-CE2 3.45Å; A277-F390 WeakPolarHBondContact O-CZ 3.07Å
278	L	98.2	Very high	96.5	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-66.7	-42.5	175.1	-180	59.3	0	0	0	111.2	I273 E274 G275 A280 L281 K282 L309 K312 T313	I273-L278 HydrophobicContact CG2-CB 4.13Å; I273-L278 HydrophobicContact CG2-CD1 4.28Å; E274-L278 PolarHBondContact O-N 3.1Å; G275-L278 PolarHBondContact O-N 2.74Å; L278-A280 VanDerWaalsContact C-N 3.33Å; L278-A280 PolarHBondContact O-N 2.98Å; L278-L281 PolarHBondContact O-N 2.85Å; L278-K282 HydrophobicContact CG-CD 4.43Å; L278-K282 WeakPolarHBondContact O-CG 3.39Å; L278-K282 PolarHBondContact O-N 3.36Å; L278-L309 HydrophobicContact CD1-CD1 3.5Å; L278-L309 HydrophobicContact CD1-CD2 4.22Å; L278-L309 HydrophobicContact CD1-CG 3.83Å; L278-K312 WeakPolarHBondContact CD2-O 3.32Å; L278-T313 VanDerWaalsContact CD2-O 3.24Å; L278-T313 WeakPolarHBondContact CD2-O 3.4Å
279	E	97.6	Very high	96.4	Very high	83 Å²	83	32.7 Å²	32.7	39%	0.388	17%	0.17	S	C	.	.	H	α-helix	trans	-64.4	-37	177.5	-63	-50.2	125.3	0	0	112.4	G275 K282 E283	G275-E279 WeakPolarHBondContact O-CG 3.39Å; G275-E279 PolarHBondContact O-N 3.47Å; E279-K282 PolarHBondContact O-N 3.26Å; E279-K282 IonicContact OE1-NZ 3.49Å; E279-K282 PolarHBondContact OE1-NZ 3.07Å; E279-E283 WeakPolarHBondContact O-CB 3.33Å; E279-E283 PolarHBondContact O-N 3.04Å
280	A	98.1	Very high	96.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.1	-37.1	173.1	0	0	0	0	0	113	P276 A277 L278 F284 R385	P276-A280 WeakPolarHBondContact O-CB 3.46Å; P276-A280 PolarHBondContact O-N 2.92Å; P276-A280 VanDerWaalsContact O-N 3.14Å; A277-A280 PolarHBondContact O-N 2.9Å; L278-A280 VanDerWaalsContact C-N 3.33Å; L278-A280 PolarHBondContact O-N 2.98Å; A280-F284 WeakPolarHBondContact O-CB 3.4Å; A280-F284 PolarHBondContact O-N 3.42Å; A280-R385 HydrophobicContact CB-CB 3.8Å
281	L	98.4	Very high	96.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68	-42.4	176	176.1	62.4	0	0	0	111.8	V267 I273 A277 L278 F284 L285 L309 W320 F386 F390	V267-L281 HydrophobicContact CG1-CD1 4.38Å; V267-L281 HydrophobicContact CG1-CD2 4.03Å; V267-L281 HydrophobicContact CG2-CD1 4.12Å; I273-L281 HydrophobicContact CG2-CD2 4.34Å; A277-L281 PolarHBondContact O-N 2.96Å; A277-L281 VanDerWaalsContact O-N 3.09Å; L278-L281 PolarHBondContact O-N 2.85Å; L281-F284 PolarHBondContact O-N 2.82Å; L281-L285 HydrophobicContact CD1-CD1 4.39Å; L281-L285 HydrophobicContact CD1-CG 4.42Å; L281-L285 HydrophobicContact CG-CD1 4.4Å; L281-L285 WeakPolarHBondContact O-CG 3.31Å; L281-L285 PolarHBondContact O-N 3.38Å; L281-L309 HydrophobicContact CB-CD2 4.25Å; L281-L309 HydrophobicContact CD2-CD1 4.09Å; L281-L309 HydrophobicContact CD2-CD2 3.79Å; L281-L309 HydrophobicContact CG-CD2 3.59Å; L281-W320 HydrophobicContact CD1-CH2 4.34Å; L281-W320 HydrophobicContact CD2-CE3 4.13Å; L281-W320 HydrophobicContact CD2-CZ3 4.11Å; L281-F386 HydrophobicContact CB-CE2 4.43Å; L281-F386 HydrophobicContact CD1-CD2 4.49Å; L281-F386 HydrophobicContact CD1-CE2 3.62Å; L281-F386 HydrophobicContact CD1-CZ 4.46Å; L281-F390 HydrophobicContact CB-CE2 3.87Å; L281-F390 HydrophobicContact CB-CZ 3.76Å; L281-F390 HydrophobicContact CD2-CZ 4.36Å; L281-F390 HydrophobicContact CG-CZ 4.49Å
282	K	98.4	Very high	96.3	Very high	23 Å²	23	31 Å²	31	10%	0.1	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-52.4	174.9	-71.7	170.5	178.7	172.1	0	111.1	L278 E279 F284 L285 D286 L309 N310	L278-K282 HydrophobicContact CG-CD 4.43Å; L278-K282 WeakPolarHBondContact O-CG 3.39Å; L278-K282 PolarHBondContact O-N 3.36Å; E279-K282 PolarHBondContact O-N 3.26Å; E279-K282 IonicContact OE1-NZ 3.49Å; E279-K282 PolarHBondContact OE1-NZ 3.07Å; K282-F284 VanDerWaalsContact C-N 3.31Å; K282-F284 PolarHBondContact O-N 3.46Å; K282-L285 PolarHBondContact O-N 2.93Å; K282-L285 VanDerWaalsContact O-N 3.13Å; K282-D286 PolarHBondContact O-N 2.85Å; K282-L309 HydrophobicContact CB-CD2 4.33Å; K282-L309 WeakPolarHBondContact CE-O 3.34Å; K282-L309 HydrophobicContact CG-CD2 3.55Å; K282-L309 HydrophobicContact CG-CG 3.87Å; K282-N310 WeakPolarHBondContact CD-OD1 3.41Å
283	E	97.3	Very high	96.2	Very high	31 Å²	31	26.9 Å²	26.9	15%	0.145	15%	0.152	C	C	.	.	H	α-helix	trans	-58.3	-43.5	178.8	-175.7	-178.4	-166	0	0	111.9	E279 L285 D286 I287 H381 A382 R385	E279-E283 WeakPolarHBondContact O-CB 3.33Å; E279-E283 PolarHBondContact O-N 3.04Å; E283-L285 PolarHBondContact O-N 2.95Å; E283-D286 PolarHBondContact O-N 2.76Å; E283-I287 WeakPolarHBondContact O-CG1 3.41Å; E283-I287 PolarHBondContact O-N 2.99Å; E283-H381 IonicContact OE1-CE1 3.44Å; E283-H381 IonicContact OE1-CG 3.3Å; E283-H381 IonicContact OE1-ND1 3.89Å; E283-H381 PolarHBondContact OE1-ND1 3.15Å; E283-H381 IonicContact OE2-CE1 3.67Å; E283-H381 IonicContact OE2-ND1 2.71Å; E283-H381 PolarHBondContact OE2-ND1 3.3Å; E283-A382 HydrophobicContact CG-CB 3.82Å; E283-R385 WeakPolarHBondContact OE2-CD 3.41Å; E283-R385 IonicContact OE2-CZ 3.26Å; E283-R385 IonicContact OE2-NE 3.45Å; E283-R385 IonicContact OE2-NH1 2.8Å; E283-R385 PolarHBondContact OE2-NH1 2.94Å
284	F	98	Very high	96	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.7	-39.6	177.7	-175.7	-113.4	0	0	0	112.6	L259 L262 A280 L281 K282 D286 I287 L288 L360 L383 F386	L259-F284 HydrophobicContact CD1-CE1 4.38Å; L262-F284 HydrophobicContact CD2-CE1 3.77Å; L262-F284 HydrophobicContact CD2-CZ 3.74Å; A280-F284 WeakPolarHBondContact O-CB 3.4Å; A280-F284 PolarHBondContact O-N 3.42Å; L281-F284 PolarHBondContact O-N 2.82Å; K282-F284 VanDerWaalsContact C-N 3.31Å; K282-F284 PolarHBondContact O-N 3.46Å; F284-D286 VanDerWaalsContact C-N 3.35Å; F284-I287 WeakPolarHBondContact O-CB 3.18Å; F284-I287 PolarHBondContact O-N 3.32Å; F284-L288 HydrophobicContact CD1-CD1 3.94Å; F284-L288 HydrophobicContact CD1-CG 4.39Å; F284-L288 HydrophobicContact CE1-CD1 3.57Å; F284-L288 HydrophobicContact CE1-CD2 4.38Å; F284-L288 HydrophobicContact CE1-CG 4.08Å; F284-L288 HydrophobicContact CE2-CD2 4.45Å; F284-L288 HydrophobicContact CZ-CD1 4.07Å; F284-L288 HydrophobicContact CZ-CD2 4.02Å; F284-L288 HydrophobicContact CZ-CG 4.15Å; F284-L288 WeakPolarHBondContact O-CG 3.41Å; F284-L288 PolarHBondContact O-N 2.6Å; F284-L360 HydrophobicContact CE2-CD1 4.47Å; F284-L383 HydrophobicContact CD2-CD2 4.49Å; F284-L383 HydrophobicContact CE2-CD2 3.96Å; F284-F386 HydrophobicContact CB-CB 3.97Å; F284-F386 HydrophobicContact CB-CD2 3.45Å; F284-F386 VanDerWaalsContact CB-CD2 3.45Å; F284-F386 HydrophobicContact CB-CE2 4.08Å; F284-F386 HydrophobicContact CB-CG 3.71Å; F284-F386 AromaticContact CD1-CD1 3.92Å; F284-F386 HydrophobicContact CD1-CD1 3.92Å; F284-F386 AromaticContact CD1-CD2 3.74Å; F284-F386 HydrophobicContact CD1-CD2 3.74Å; F284-F386 AromaticContact CD1-CE1 3.8Å; F284-F386 HydrophobicContact CD1-CE1 3.8Å; F284-F386 AromaticContact CD1-CE2 3.6Å; F284-F386 HydrophobicContact CD1-CE2 3.6Å; F284-F386 AromaticContact CD1-CG 3.91Å; F284-F386 HydrophobicContact CD1-CG 3.91Å; F284-F386 AromaticContact CD1-CZ 3.63Å; F284-F386 HydrophobicContact CD1-CZ 3.63Å; F284-F386 HydrophobicContact CD2-CB 4.26Å; F284-F386 HydrophobicContact CD2-CD1 4.14Å; F284-F386 HydrophobicContact CD2-CG 4.04Å; F284-F386 HydrophobicContact CE1-CD1 4.11Å; F284-F386 AromaticContact CE1-CE1 3.78Å; F284-F386 HydrophobicContact CE1-CE1 3.78Å; F284-F386 HydrophobicContact CE1-CE2 4.33Å; F284-F386 AromaticContact CE1-CZ 3.9Å; F284-F386 HydrophobicContact CE1-CZ 3.9Å; F284-F386 HydrophobicContact CE2-CD1 4.35Å; F284-F386 HydrophobicContact CG-CB 4.13Å; F284-F386 AromaticContact CG-CD1 3.93Å; F284-F386 HydrophobicContact CG-CD1 3.93Å; F284-F386 AromaticContact CG-CD2 3.66Å; F284-F386 HydrophobicContact CG-CD2 3.66Å; F284-F386 HydrophobicContact CG-CE1 4.3Å; F284-F386 HydrophobicContact CG-CE2 4.03Å; F284-F386 AromaticContact CG-CG 3.61Å; F284-F386 HydrophobicContact CG-CG 3.61Å; F284-F386 HydrophobicContact CG-CZ 4.34Å; F284-F386 HydrophobicContact CZ-CD1 4.33Å; F284-F386 HydrophobicContact CZ-CE1 4.29Å
285	L	97.6	Very high	95.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.1	-38.4	174.8	-74.9	170.5	0	0	0	112.3	L263 L281 K282 E283 I287 L288 Y289 L302 I305 L309 W320	L263-L285 HydrophobicContact CD2-CD2 4.47Å; L281-L285 HydrophobicContact CD1-CD1 4.39Å; L281-L285 HydrophobicContact CD1-CG 4.42Å; L281-L285 HydrophobicContact CG-CD1 4.4Å; L281-L285 WeakPolarHBondContact O-CG 3.31Å; L281-L285 PolarHBondContact O-N 3.38Å; K282-L285 PolarHBondContact O-N 2.93Å; K282-L285 VanDerWaalsContact O-N 3.13Å; E283-L285 PolarHBondContact O-N 2.95Å; L285-I287 VanDerWaalsContact C-N 3.31Å; L285-I287 PolarHBondContact O-N 3.07Å; L285-L288 HydrophobicContact CD2-CD1 4.38Å; L285-L288 PolarHBondContact O-N 3.11Å; L285-Y289 WeakPolarHBondContact O-CB 3.42Å; L285-Y289 PolarHBondContact O-N 2.82Å; L285-L302 HydrophobicContact CD2-CD2 4.22Å; L285-I305 HydrophobicContact CD1-CG2 3.73Å; L285-I305 HydrophobicContact CD2-CG2 4.34Å; L285-L309 HydrophobicContact CD1-CD2 3.56Å; L285-W320 HydrophobicContact CD1-CH2 4.01Å; L285-W320 HydrophobicContact CD1-CZ3 4.15Å; L285-W320 HydrophobicContact CD2-CH2 4.25Å
286	D	94.9	Very high	95.6	Very high	75 Å²	75	27.9 Å²	27.9	40%	0.401	15%	0.147	S	C	.	.	H	α-helix	trans	-63.9	-39	176.2	-66.2	-20.7	0	0	0	111.1	K282 E283 F284 Y289 G290 S306	K282-D286 PolarHBondContact O-N 2.85Å; E283-D286 PolarHBondContact O-N 2.76Å; F284-D286 VanDerWaalsContact C-N 3.35Å; D286-Y289 PolarHBondContact O-N 3.34Å; D286-G290 PolarHBondContact O-N 3.3Å; D286-S306 PolarHBondContact OD1-OG 3.37Å
287	I	95.4	Very high	95.5	Very high	16 Å²	16	30.5 Å²	30.5	8%	0.082	16%	0.155	C	C	.	.	H	α-helix	trans	-61.2	-48.1	170.5	-68	-58.3	0	0	0	111.6	E283 F284 L285 Y289 G290 I291 L360 A378 V379 A382	E283-I287 WeakPolarHBondContact O-CG1 3.41Å; E283-I287 PolarHBondContact O-N 2.99Å; F284-I287 WeakPolarHBondContact O-CB 3.18Å; F284-I287 PolarHBondContact O-N 3.32Å; L285-I287 VanDerWaalsContact C-N 3.31Å; L285-I287 PolarHBondContact O-N 3.07Å; I287-Y289 VanDerWaalsContact C-N 3.34Å; I287-Y289 PolarHBondContact O-N 3.11Å; I287-G290 PolarHBondContact O-N 3.28Å; I287-I291 HydrophobicContact CD1-CD1 3.95Å; I287-I291 HydrophobicContact CG2-CD1 4.29Å; I287-I291 VanDerWaalsContact O-CB 3.28Å; I287-I291 WeakPolarHBondContact O-CB 3.26Å; I287-I291 PolarHBondContact O-N 2.9Å; I287-L360 HydrophobicContact CG2-CD1 4.28Å; I287-L360 HydrophobicContact CG2-CD2 4.35Å; I287-A378 HydrophobicContact CD1-CB 3.76Å; I287-V379 HydrophobicContact CD1-CG2 4.32Å; I287-V379 HydrophobicContact CG2-CG2 3.88Å; I287-A382 HydrophobicContact CD1-CB 4.48Å; I287-A382 HydrophobicContact CG1-CB 3.58Å
288	L	96.3	Very high	95.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.4	-44.8	179	-67.5	175.4	0	0	0	111.3	L259 L263 F284 L285 L292 L302 L360	L259-L288 HydrophobicContact CD1-CD1 3.67Å; L259-L288 HydrophobicContact CD1-CD2 3.98Å; L259-L288 HydrophobicContact CD2-CD2 4.25Å; L263-L288 HydrophobicContact CD2-CD1 4.49Å; F284-L288 HydrophobicContact CD1-CD1 3.94Å; F284-L288 HydrophobicContact CD1-CG 4.39Å; F284-L288 HydrophobicContact CE1-CD1 3.57Å; F284-L288 HydrophobicContact CE1-CD2 4.38Å; F284-L288 HydrophobicContact CE1-CG 4.08Å; F284-L288 HydrophobicContact CE2-CD2 4.45Å; F284-L288 HydrophobicContact CZ-CD1 4.07Å; F284-L288 HydrophobicContact CZ-CD2 4.02Å; F284-L288 HydrophobicContact CZ-CG 4.15Å; F284-L288 WeakPolarHBondContact O-CG 3.41Å; F284-L288 PolarHBondContact O-N 2.6Å; L285-L288 HydrophobicContact CD2-CD1 4.38Å; L285-L288 PolarHBondContact O-N 3.11Å; L288-L292 HydrophobicContact CD2-CB 4.49Å; L288-L292 HydrophobicContact CD2-CD1 4.38Å; L288-L292 HydrophobicContact CD2-CD2 4.33Å; L288-L292 WeakPolarHBondContact O-CB 3.15Å; L288-L292 PolarHBondContact O-N 3.02Å; L288-L302 HydrophobicContact CB-CD1 3.89Å; L288-L302 HydrophobicContact CB-CD2 4.3Å; L288-L302 HydrophobicContact CD1-CD2 4.4Å; L288-L360 HydrophobicContact CD2-CD1 4.32Å; L288-L360 HydrophobicContact CD2-CD2 4.42Å
289	Y	93.3	Very high	95.3	Very high	105 Å²	105	31.8 Å²	31.8	41%	0.412	16%	0.158	S	C	.	.	H	α-helix	trans	-61.6	-48.9	178.8	171.3	-112.3	0	0	0	111.9	L285 D286 I287 K299 L302	L285-Y289 WeakPolarHBondContact O-CB 3.42Å; L285-Y289 PolarHBondContact O-N 2.82Å; D286-Y289 PolarHBondContact O-N 3.34Å; I287-Y289 VanDerWaalsContact C-N 3.34Å; I287-Y289 PolarHBondContact O-N 3.11Å; Y289-K299 HydrophobicContact CD2-CB 4.21Å; Y289-K299 VanDerWaalsContact CD2-O 3.27Å; Y289-K299 WeakPolarHBondContact CD2-O 3.45Å; Y289-K299 HydrophobicContact CE2-CB 4.28Å; Y289-K299 WeakPolarHBondContact CE2-O 3.2Å; Y289-K299 PolarHBondContact O-NZ 3.23Å; Y289-L302 HydrophobicContact CD2-CB 4.43Å
290	G	90.8	Very high	95.2	Very high	37 Å²	37	30.6 Å²	30.6	38%	0.381	16%	0.163	S	C	.	.	H	α-helix	trans	-70.7	-42.7	-177.6	0	0	0	0	0	113.6	D286 I287 K299	D286-G290 PolarHBondContact O-N 3.3Å; I287-G290 PolarHBondContact O-N 3.28Å; G290-K299 PolarHBondContact O-NZ 3.18Å
291	I	92.6	Very high	95.2	Very high	12 Å²	12	33.3 Å²	33.3	6%	0.062	17%	0.173	C	C	.	.	H	α-helix	trans	-113.5	-29.8	-160.4	-57.7	178.3	0	0	0	113.2	I287 P293 L360 E363 Q364 L367 V379	I287-I291 HydrophobicContact CD1-CD1 3.95Å; I287-I291 HydrophobicContact CG2-CD1 4.29Å; I287-I291 VanDerWaalsContact O-CB 3.28Å; I287-I291 WeakPolarHBondContact O-CB 3.26Å; I287-I291 PolarHBondContact O-N 2.9Å; I291-P293 WeakPolarHBondContact O-CD 3.13Å; I291-L360 HydrophobicContact CB-CD2 4.43Å; I291-L360 HydrophobicContact CG2-CD2 4.18Å; I291-L360 WeakPolarHBondContact CG2-O 3.24Å; I291-E363 HydrophobicContact CG2-CB 3.64Å; I291-Q364 HydrophobicContact CD1-CB 4.03Å; I291-Q364 HydrophobicContact CD1-CG 4.06Å; I291-Q364 HydrophobicContact CG2-CB 4.37Å; I291-L367 HydrophobicContact CG1-CD1 4.49Å; I291-V379 HydrophobicContact CD1-CG2 3.6Å
292	L	94.8	Very high	95.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-61.2	129.6	-174.9	-172.1	70.1	0	0	0	111.5	Y256 L259 L288 A294 Y298 K299 L302 L356 L360	Y256-L292 HydrophobicContact CE1-CD2 3.98Å; L259-L292 HydrophobicContact CD2-CD2 3.59Å; L288-L292 HydrophobicContact CD2-CB 4.49Å; L288-L292 HydrophobicContact CD2-CD1 4.38Å; L288-L292 HydrophobicContact CD2-CD2 4.33Å; L288-L292 WeakPolarHBondContact O-CB 3.15Å; L288-L292 PolarHBondContact O-N 3.02Å; L292-A294 VanDerWaalsContact C-N 3.28Å; L292-A294 HydrophobicContact CD2-CB 4.26Å; L292-A294 HydrophobicContact CG-CB 4.36Å; L292-A294 PolarHBondContact O-N 3.32Å; L292-Y298 HydrophobicContact CD2-CD1 4.2Å; L292-Y298 HydrophobicContact CD2-CE1 3.81Å; L292-K299 WeakPolarHBondContact O-CE 3.36Å; L292-K299 PolarHBondContact O-NZ 2.97Å; L292-L302 HydrophobicContact CD2-CD1 4.44Å; L292-L356 HydrophobicContact CD1-CD1 3.76Å; L292-L360 HydrophobicContact CB-CD2 4.36Å; L292-L360 HydrophobicContact CD1-CD2 4.11Å
293	P	92.7	Very high	95.1	Very high	8 Å²	8	34.1 Å²	34.1	5%	0.052	18%	0.182	C	C	.	.			trans	-71.2	78.8	173.9	-22.6	36	0	0	0	112.9	Y256 I291 E363 A517 W520	Y256-P293 PolarHBondContact OH-O 3.42Å; I291-P293 WeakPolarHBondContact O-CD 3.13Å; P293-E363 HydrophobicContact CG-CB 4.32Å; P293-E363 HydrophobicContact CG-CG 3.34Å; P293-A517 HydrophobicContact CB-CB 3.43Å; P293-A517 VanDerWaalsContact CB-CB 3.43Å; P293-A517 HydrophobicContact CG-CB 3.72Å; P293-W520 HydrophobicContact CB-CH2 4.03Å; P293-W520 HydrophobicContact CB-CZ3 4.26Å; P293-W520 HydrophobicContact CG-CH2 3.78Å; P293-W520 HydrophobicContact CG-CZ2 4.26Å; P293-W520 HydrophobicContact CG-CZ3 4.49Å
294	A	93	Very high	95.1	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	20%	0.195	C	C	.	.			trans	-122.6	170.4	-177.2	0	0	0	0	0	112.3	Y256 L292 Y298 K299 T531	Y256-A294 WeakPolarHBondContact OH-CA 3.34Å; Y256-A294 VanDerWaalsContact OH-CB 3.24Å; Y256-A294 WeakPolarHBondContact OH-CB 3.17Å; L292-A294 VanDerWaalsContact C-N 3.28Å; L292-A294 HydrophobicContact CD2-CB 4.26Å; L292-A294 HydrophobicContact CG-CB 4.36Å; L292-A294 PolarHBondContact O-N 3.32Å; A294-Y298 HydrophobicContact CB-CD1 3.76Å; A294-Y298 HydrophobicContact CB-CG 4.11Å; A294-K299 HydrophobicContact CB-CG 4.38Å; A294-T531 WeakPolarHBondContact O-CB 3.24Å; A294-T531 PolarHBondContact O-OG1 3.36Å
295	S	93.6	Very high	95	Very high	6 Å²	6	36.9 Å²	36.9	4%	0.042	20%	0.195	C	C	.	.			trans	-63.9	159.4	169.2	79.2	0	0	0	0	110.6	E297 Y298 K299 V528 I530	S295-E297 PolarHBondContact O-N 3.23Å; S295-E297 PolarHBondContact OG-N 3.14Å; S295-Y298 PolarHBondContact O-N 3.06Å; S295-Y298 PolarHBondContact OG-N 3.21Å; S295-K299 WeakPolarHBondContact O-CG 3.38Å; S295-K299 PolarHBondContact O-N 2.97Å; S295-K299 VanDerWaalsContact O-N 3.08Å; S295-V528 WeakPolarHBondContact CB-O 3.45Å; S295-V528 PolarHBondContact OG-O 3.44Å; S295-I530 WeakPolarHBondContact CA-O 3.32Å; S295-I530 WeakPolarHBondContact CB-O 3.12Å
296	Q	92.8	Very high	95	Very high	125 Å²	125	37.5 Å²	37.5	58%	0.584	20%	0.199	S	C	*	.	H	α-helix	trans	-62.5	-30.8	172.2	-67.2	-60.5	-26.8	0	0	112	K299 A300	Q296-K299 PolarHBondContact O-N 3.31Å; Q296-A300 PolarHBondContact O-N 3.4Å
297	E	94.7	Very high	95.1	Very high	104 Å²	104	38.8 Å²	38.8	49%	0.486	21%	0.209	S	C	.	.	H	α-helix	trans	-64	-49	175.5	-174.8	-176.3	175.9	0	0	111.3	S295 K299 A300 Y301 V528	S295-E297 PolarHBondContact O-N 3.23Å; S295-E297 PolarHBondContact OG-N 3.14Å; E297-K299 VanDerWaalsContact C-N 3.31Å; E297-K299 PolarHBondContact O-N 3.28Å; E297-A300 WeakPolarHBondContact O-CB 3.48Å; E297-A300 PolarHBondContact O-N 3.5Å; E297-A300 VanDerWaalsContact O-N 3.12Å; E297-Y301 HydrophobicContact CG-CD2 4.33Å; E297-Y301 HydrophobicContact CG-CE2 3.96Å; E297-Y301 VanDerWaalsContact O-CD2 3.26Å; E297-Y301 WeakPolarHBondContact O-CD2 3.48Å; E297-Y301 PolarHBondContact O-N 3.3Å; E297-Y301 VanDerWaalsContact O-N 3.12Å; E297-V528 HydrophobicContact CB-CG2 4.33Å; E297-V528 HydrophobicContact CG-CG2 3.98Å
298	Y	96	Very high	95.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-39.5	177	-163.4	-93.9	0	0	0	112.1	Y256 L259 L292 A294 S295 A300 Y301 L302 F329 P330 V528 F529	Y256-Y298 HydrophobicContact CE1-CE1 4.31Å; L259-Y298 HydrophobicContact CD2-CE1 4.27Å; L292-Y298 HydrophobicContact CD2-CD1 4.2Å; L292-Y298 HydrophobicContact CD2-CE1 3.81Å; A294-Y298 HydrophobicContact CB-CD1 3.76Å; A294-Y298 HydrophobicContact CB-CG 4.11Å; S295-Y298 PolarHBondContact O-N 3.06Å; S295-Y298 PolarHBondContact OG-N 3.21Å; Y298-A300 VanDerWaalsContact C-N 3.32Å; Y298-A300 PolarHBondContact O-N 3.22Å; Y298-Y301 WeakPolarHBondContact O-CB 3.45Å; Y298-Y301 PolarHBondContact O-N 3.24Å; Y298-L302 HydrophobicContact CD1-CD1 3.76Å; Y298-L302 HydrophobicContact CD1-CG 4.06Å; Y298-L302 HydrophobicContact CE1-CD1 3.79Å; Y298-L302 HydrophobicContact CE1-CD2 4.2Å; Y298-L302 HydrophobicContact CE1-CG 3.99Å; Y298-L302 WeakPolarHBondContact O-CG 3.46Å; Y298-L302 PolarHBondContact O-N 3.07Å; Y298-F329 HydrophobicContact CE1-CZ 4.25Å; Y298-F329 HydrophobicContact CE2-CE1 4.44Å; Y298-F329 HydrophobicContact CE2-CE2 4.49Å; Y298-F329 AromaticContact CE2-CZ 3.98Å; Y298-F329 HydrophobicContact CE2-CZ 3.98Å; Y298-F329 AromaticContact CZ-CZ 3.59Å; Y298-F329 VanDerWaalsContact OH-CZ 3.28Å; Y298-F329 WeakPolarHBondContact OH-CZ 3.36Å; Y298-P330 HydrophobicContact CD2-CB 4.22Å; Y298-P330 HydrophobicContact CD2-CG 3.48Å; Y298-P330 VanDerWaalsContact CD2-CG 3.48Å; Y298-P330 HydrophobicContact CE2-CB 4.21Å; Y298-P330 HydrophobicContact CE2-CG 3.65Å; Y298-P330 WeakPolarHBondContact CE2-O 3.38Å; Y298-V528 WeakPolarHBondContact CB-O 3.38Å; Y298-V528 HydrophobicContact CD2-CG2 4.46Å; Y298-F529 AromaticContact CD2-CD1 3.88Å; Y298-F529 HydrophobicContact CD2-CD1 3.88Å; Y298-F529 HydrophobicContact CD2-CE1 4.01Å; Y298-F529 AromaticContact CE2-CD1 3.71Å; Y298-F529 HydrophobicContact CE2-CD1 3.71Å; Y298-F529 AromaticContact CE2-CE1 3.5Å; Y298-F529 HydrophobicContact CE2-CE1 3.5Å
299	K	95.4	Very high	95.3	Very high	41 Å²	41	39.9 Å²	39.9	18%	0.178	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-36.7	174.5	-70.6	-168.2	176.4	-146.7	0	112.1	Y289 G290 L292 A294 S295 Q296 E297 L302 S303	Y289-K299 HydrophobicContact CD2-CB 4.21Å; Y289-K299 VanDerWaalsContact CD2-O 3.27Å; Y289-K299 WeakPolarHBondContact CD2-O 3.45Å; Y289-K299 HydrophobicContact CE2-CB 4.28Å; Y289-K299 WeakPolarHBondContact CE2-O 3.2Å; Y289-K299 PolarHBondContact O-NZ 3.23Å; G290-K299 PolarHBondContact O-NZ 3.18Å; L292-K299 WeakPolarHBondContact O-CE 3.36Å; L292-K299 PolarHBondContact O-NZ 2.97Å; A294-K299 HydrophobicContact CB-CG 4.38Å; S295-K299 WeakPolarHBondContact O-CG 3.38Å; S295-K299 PolarHBondContact O-N 2.97Å; S295-K299 VanDerWaalsContact O-N 3.08Å; Q296-K299 PolarHBondContact O-N 3.31Å; E297-K299 VanDerWaalsContact C-N 3.31Å; E297-K299 PolarHBondContact O-N 3.28Å; K299-L302 PolarHBondContact O-N 2.81Å; K299-S303 WeakPolarHBondContact O-CB 3.26Å; K299-S303 PolarHBondContact O-N 3.4Å
300	A	95.8	Very high	95.5	Very high	59 Å²	59	39 Å²	39	49%	0.488	22%	0.215	S	C	.	.	H	α-helix	trans	-62.4	-43	174.2	0	0	0	0	0	111.6	Q296 E297 Y298 S303 E304	Q296-A300 PolarHBondContact O-N 3.4Å; E297-A300 WeakPolarHBondContact O-CB 3.48Å; E297-A300 PolarHBondContact O-N 3.5Å; E297-A300 VanDerWaalsContact O-N 3.12Å; Y298-A300 VanDerWaalsContact C-N 3.32Å; Y298-A300 PolarHBondContact O-N 3.22Å; A300-S303 WeakPolarHBondContact O-CB 3.22Å; A300-S303 PolarHBondContact O-N 2.78Å; A300-E304 PolarHBondContact O-N 3.38Å
301	Y	97.6	Very high	95.8	Very high	56 Å²	56	41.2 Å²	41.2	22%	0.22	23%	0.225	C	C	.	.	H	α-helix	trans	-60.2	-45.2	173.1	-80.3	-69.7	0	0	0	112.8	E297 Y298 S303 E304 I305 I327 F329 P330	E297-Y301 HydrophobicContact CG-CD2 4.33Å; E297-Y301 HydrophobicContact CG-CE2 3.96Å; E297-Y301 VanDerWaalsContact O-CD2 3.26Å; E297-Y301 WeakPolarHBondContact O-CD2 3.48Å; E297-Y301 PolarHBondContact O-N 3.3Å; E297-Y301 VanDerWaalsContact O-N 3.12Å; Y298-Y301 WeakPolarHBondContact O-CB 3.45Å; Y298-Y301 PolarHBondContact O-N 3.24Å; Y301-S303 VanDerWaalsContact C-N 3.31Å; Y301-S303 PolarHBondContact O-N 3.4Å; Y301-E304 PolarHBondContact O-N 3Å; Y301-I305 WeakPolarHBondContact O-CG1 3.43Å; Y301-I305 PolarHBondContact O-N 3.16Å; Y301-I327 HydrophobicContact CD1-CD1 4.37Å; Y301-I327 WeakPolarHBondContact CE1-O 3.44Å; Y301-F329 HydrophobicContact CD1-CD2 4.42Å; Y301-F329 HydrophobicContact CG-CD2 4.28Å; Y301-P330 HydrophobicContact CD2-CG 3.79Å; Y301-P330 HydrophobicContact CE2-CG 4.13Å; Y301-P330 HydrophobicContact CG-CG 4.28Å
302	L	97.5	Very high	96.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.7	-41	175.6	-69.9	172.8	0	0	0	111.8	L285 L288 Y289 L292 Y298 K299 I305 S306 F329	L285-L302 HydrophobicContact CD2-CD2 4.22Å; L288-L302 HydrophobicContact CB-CD1 3.89Å; L288-L302 HydrophobicContact CB-CD2 4.3Å; L288-L302 HydrophobicContact CD1-CD2 4.4Å; Y289-L302 HydrophobicContact CD2-CB 4.43Å; L292-L302 HydrophobicContact CD2-CD1 4.44Å; Y298-L302 HydrophobicContact CD1-CD1 3.76Å; Y298-L302 HydrophobicContact CD1-CG 4.06Å; Y298-L302 HydrophobicContact CE1-CD1 3.79Å; Y298-L302 HydrophobicContact CE1-CD2 4.2Å; Y298-L302 HydrophobicContact CE1-CG 3.99Å; Y298-L302 WeakPolarHBondContact O-CG 3.46Å; Y298-L302 PolarHBondContact O-N 3.07Å; K299-L302 PolarHBondContact O-N 2.81Å; L302-I305 PolarHBondContact O-N 3.26Å; L302-S306 PolarHBondContact O-N 3.12Å; L302-F329 HydrophobicContact CD2-CE2 4.11Å; L302-F329 HydrophobicContact CD2-CZ 4.02Å
303	S	96.4	Very high	96.2	Very high	40 Å²	40	50.2 Å²	50.2	28%	0.28	27%	0.274	S	S	.	.	H	α-helix	trans	-62.1	-43.6	175.9	-172.8	0	0	0	0	111.9	K299 A300 Y301 I305 S306 V307	K299-S303 WeakPolarHBondContact O-CB 3.26Å; K299-S303 PolarHBondContact O-N 3.4Å; A300-S303 WeakPolarHBondContact O-CB 3.22Å; A300-S303 PolarHBondContact O-N 2.78Å; Y301-S303 VanDerWaalsContact C-N 3.31Å; Y301-S303 PolarHBondContact O-N 3.4Å; S303-I305 VanDerWaalsContact C-N 3.35Å; S303-S306 PolarHBondContact O-N 2.78Å; S303-V307 WeakPolarHBondContact O-CG2 3.43Å; S303-V307 PolarHBondContact O-N 3.46Å
304	E	97.1	Very high	96.5	Very high	90 Å²	90	51.8 Å²	51.8	42%	0.421	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-43.9	177.9	-173.5	177.8	158.9	0	0	111.2	A300 Y301 V307 W308 I327	A300-E304 PolarHBondContact O-N 3.38Å; Y301-E304 PolarHBondContact O-N 3Å; E304-V307 PolarHBondContact O-N 3.14Å; E304-W308 PolarHBondContact O-N 3Å; E304-I327 WeakPolarHBondContact OE1-CG2 3.43Å
305	I	97.8	Very high	96.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.2	-44.1	175.1	-63.6	165.7	0	0	0	111.3	L285 Y301 L302 S303 V307 W308 L309 W320 Y323 L324 I327 F329	L285-I305 HydrophobicContact CD1-CG2 3.73Å; L285-I305 HydrophobicContact CD2-CG2 4.34Å; Y301-I305 WeakPolarHBondContact O-CG1 3.43Å; Y301-I305 PolarHBondContact O-N 3.16Å; L302-I305 PolarHBondContact O-N 3.26Å; S303-I305 VanDerWaalsContact C-N 3.35Å; I305-V307 PolarHBondContact O-N 2.92Å; I305-W308 PolarHBondContact O-N 2.99Å; I305-L309 VanDerWaalsContact O-CB 3.31Å; I305-L309 WeakPolarHBondContact O-CB 3.02Å; I305-L309 PolarHBondContact O-N 3.05Å; I305-W320 HydrophobicContact CG2-CH2 3.49Å; I305-W320 VanDerWaalsContact CG2-CH2 3.49Å; I305-W320 HydrophobicContact CG2-CZ3 3.49Å; I305-W320 VanDerWaalsContact CG2-CZ3 3.49Å; I305-Y323 HydrophobicContact CG1-CE1 4.17Å; I305-L324 HydrophobicContact CD1-CD2 3.43Å; I305-L324 VanDerWaalsContact CD1-CD2 3.43Å; I305-L324 HydrophobicContact CG1-CD2 4.14Å; I305-I327 HydrophobicContact CD1-CD1 3.96Å; I305-I327 HydrophobicContact CG1-CD1 3.5Å; I305-I327 VanDerWaalsContact CG1-CD1 3.5Å; I305-F329 HydrophobicContact CD1-CD2 3.3Å; I305-F329 HydrophobicContact CD1-CE2 3.43Å; I305-F329 VanDerWaalsContact CD1-CE2 3.43Å; I305-F329 HydrophobicContact CD1-CG 3.97Å; I305-F329 HydrophobicContact CD1-CZ 4.2Å; I305-F329 HydrophobicContact CG1-CD2 4.48Å
306	S	97	Very high	96.9	Very high	12 Å²	12	53.7 Å²	53.7	8%	0.084	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-44.4	178.1	-179.6	0	0	0	0	111	D286 L302 S303 W308 L309 N310	D286-S306 PolarHBondContact OD1-OG 3.37Å; L302-S306 PolarHBondContact O-N 3.12Å; S303-S306 PolarHBondContact O-N 2.78Å; S306-W308 PolarHBondContact O-N 3.19Å; S306-L309 PolarHBondContact O-N 3.18Å; S306-N310 VanDerWaalsContact O-CB 3.3Å; S306-N310 WeakPolarHBondContact O-CB 3.33Å; S306-N310 VanDerWaalsContact O-CG 3.28Å; S306-N310 PolarHBondContact O-N 2.68Å; S306-N310 PolarHBondContact O-ND2 3.2Å; S306-N310 PolarHBondContact OG-ND2 3.47Å
307	V	97.2	Very high	97	Very high	102 Å²	102	47.7 Å²	47.7	62%	0.618	27%	0.269	S	S	*	.	H	α-helix	trans	-58.9	-47.6	175.1	170.4	0	0	0	0	111.4	S303 E304 I305 N310 S311	S303-V307 WeakPolarHBondContact O-CG2 3.43Å; S303-V307 PolarHBondContact O-N 3.46Å; E304-V307 PolarHBondContact O-N 3.14Å; I305-V307 PolarHBondContact O-N 2.92Å; V307-N310 PolarHBondContact O-N 3.21Å; V307-S311 PolarHBondContact O-N 3.14Å
308	W	98.1	Very high	97	Very high	39 Å²	39	49 Å²	49	15%	0.148	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-46.6	177.4	168.2	84	0	0	0	111.8	E304 I305 S306 N310 S311 I315 W320 Y323	E304-W308 PolarHBondContact O-N 3Å; I305-W308 PolarHBondContact O-N 2.99Å; S306-W308 PolarHBondContact O-N 3.19Å; W308-N310 VanDerWaalsContact C-N 3.32Å; W308-N310 PolarHBondContact O-N 3.24Å; W308-S311 WeakPolarHBondContact O-CB 3Å; W308-S311 PolarHBondContact O-N 3.38Å; W308-S311 VanDerWaalsContact O-N 3.13Å; W308-S311 PolarHBondContact O-OG 2.87Å; W308-I315 HydrophobicContact CH2-CD1 3.8Å; W308-I315 HydrophobicContact CH2-CG2 4.21Å; W308-I315 HydrophobicContact CZ2-CG2 4.37Å; W308-I315 HydrophobicContact CZ3-CD1 4.1Å; W308-W320 HydrophobicContact CH2-CE3 4.29Å; W308-W320 AromaticContact CZ3-CE3 3.68Å; W308-W320 HydrophobicContact CZ3-CE3 3.68Å; W308-W320 HydrophobicContact CZ3-CZ3 4.02Å; W308-Y323 HydrophobicContact CB-CD1 4.49Å; W308-Y323 HydrophobicContact CB-CE1 3.64Å; W308-Y323 HydrophobicContact CB-CE2 4.2Å; W308-Y323 VanDerWaalsContact CB-CZ 3.48Å; W308-Y323 WeakPolarHBondContact CB-OH 3.26Å; W308-Y323 AromaticContact CD1-CD2 3.83Å; W308-Y323 AromaticContact CD1-CE2 3.5Å; W308-Y323 VanDerWaalsContact CD1-CE2 3.5Å; W308-Y323 AromaticContact CD1-CZ 3.7Å; W308-Y323 AromaticContact CD2-CD1 3.51Å; W308-Y323 HydrophobicContact CD2-CD1 3.51Å; W308-Y323 HydrophobicContact CD2-CD2 4.03Å; W308-Y323 AromaticContact CD2-CE1 3.58Å; W308-Y323 HydrophobicContact CD2-CE1 3.58Å; W308-Y323 HydrophobicContact CD2-CE2 4.12Å; W308-Y323 AromaticContact CD2-CG 3.75Å; W308-Y323 HydrophobicContact CD2-CG 3.75Å; W308-Y323 AromaticContact CD2-CZ 3.91Å; W308-Y323 AromaticContact CE2-CD1 3.91Å; W308-Y323 AromaticContact CE2-CD2 3.77Å; W308-Y323 AromaticContact CE2-CG 3.62Å; W308-Y323 AromaticContact CE3-CD1 3.52Å; W308-Y323 HydrophobicContact CE3-CD1 3.52Å; W308-Y323 AromaticContact CE3-CE1 3.77Å; W308-Y323 HydrophobicContact CE3-CE1 3.77Å; W308-Y323 HydrophobicContact CE3-CG 4.08Å; W308-Y323 AromaticContact CG-CD1 3.97Å; W308-Y323 HydrophobicContact CG-CD1 3.97Å; W308-Y323 HydrophobicContact CG-CD2 4.08Å; W308-Y323 AromaticContact CG-CE1 3.54Å; W308-Y323 HydrophobicContact CG-CE1 3.54Å; W308-Y323 AromaticContact CG-CE2 3.7Å; W308-Y323 HydrophobicContact CG-CE2 3.7Å; W308-Y323 HydrophobicContact CG-CG 4.22Å; W308-Y323 AromaticContact CG-CZ 3.4Å; W308-Y323 VanDerWaalsContact CG-CZ 3.4Å; W308-Y323 HydrophobicContact CH2-CD1 4.28Å; W308-Y323 HydrophobicContact CH2-CG 4.19Å; W308-Y323 HydrophobicContact CZ2-CD1 4.29Å; W308-Y323 HydrophobicContact CZ2-CD2 4.31Å; W308-Y323 AromaticContact CZ2-CG 3.86Å; W308-Y323 HydrophobicContact CZ2-CG 3.86Å; W308-Y323 AromaticContact CZ3-CD1 3.91Å; W308-Y323 HydrophobicContact CZ3-CD1 3.91Å; W308-Y323 HydrophobicContact CZ3-CG 4.28Å; W308-Y323 AromaticContact NE1-CD2 3.6Å; W308-Y323 AromaticContact NE1-CE2 3.79Å; W308-Y323 AromaticContact NE1-CG 3.97Å
309	L	97.8	Very high	97	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-66	-35.9	-177.5	-168.6	69.4	0	0	0	112	L278 L281 K282 L285 I305 S306 S311 K312 I315	L278-L309 HydrophobicContact CD1-CD1 3.5Å; L278-L309 HydrophobicContact CD1-CD2 4.22Å; L278-L309 HydrophobicContact CD1-CG 3.83Å; L281-L309 HydrophobicContact CB-CD2 4.25Å; L281-L309 HydrophobicContact CD2-CD1 4.09Å; L281-L309 HydrophobicContact CD2-CD2 3.79Å; L281-L309 HydrophobicContact CG-CD2 3.59Å; K282-L309 HydrophobicContact CB-CD2 4.33Å; K282-L309 WeakPolarHBondContact CE-O 3.34Å; K282-L309 HydrophobicContact CG-CD2 3.55Å; K282-L309 HydrophobicContact CG-CG 3.87Å; L285-L309 HydrophobicContact CD1-CD2 3.56Å; I305-L309 VanDerWaalsContact O-CB 3.31Å; I305-L309 WeakPolarHBondContact O-CB 3.02Å; I305-L309 PolarHBondContact O-N 3.05Å; S306-L309 PolarHBondContact O-N 3.18Å; L309-S311 PolarHBondContact O-N 2.92Å; L309-K312 WeakPolarHBondContact O-CB 3.36Å; L309-K312 PolarHBondContact O-N 3.48Å; L309-I315 HydrophobicContact CD1-CD1 3.54Å
310	N	97.2	Very high	97.1	Very high	85 Å²	85	51.9 Å²	51.9	46%	0.455	29%	0.289	S	S	.	.	H	α-helix	trans	-65.7	-22.5	175.8	-78.3	-37.9	0	0	0	113.3	K282 S306 V307 W308 K312	K282-N310 WeakPolarHBondContact CD-OD1 3.41Å; S306-N310 VanDerWaalsContact O-CB 3.3Å; S306-N310 WeakPolarHBondContact O-CB 3.33Å; S306-N310 VanDerWaalsContact O-CG 3.28Å; S306-N310 PolarHBondContact O-N 2.68Å; S306-N310 PolarHBondContact O-ND2 3.2Å; S306-N310 PolarHBondContact OG-ND2 3.47Å; V307-N310 PolarHBondContact O-N 3.21Å; W308-N310 VanDerWaalsContact C-N 3.32Å; W308-N310 PolarHBondContact O-N 3.24Å; N310-K312 PolarHBondContact O-N 3.12Å
311	S	97.5	Very high	97.1	Very high	84 Å²	84	50.1 Å²	50.1	59%	0.587	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-6.2	171.3	79.3	0	0	0	0	114.1	V307 W308 L309	V307-S311 PolarHBondContact O-N 3.14Å; W308-S311 WeakPolarHBondContact O-CB 3Å; W308-S311 PolarHBondContact O-N 3.38Å; W308-S311 VanDerWaalsContact O-N 3.13Å; W308-S311 PolarHBondContact O-OG 2.87Å; L309-S311 PolarHBondContact O-N 2.92Å
312	K	98	Very high	97.1	Very high	75 Å²	75	50 Å²	50	33%	0.326	28%	0.283	S	S	.	.			trans	-106.6	145.6	-173.9	-53.5	-61.6	179.6	-179	0	111.7	L278 L309 N310 I315	L278-K312 WeakPolarHBondContact CD2-O 3.32Å; L309-K312 WeakPolarHBondContact O-CB 3.36Å; L309-K312 PolarHBondContact O-N 3.48Å; N310-K312 PolarHBondContact O-N 3.12Å; K312-I315 HydrophobicContact CB-CG2 3.78Å; K312-I315 HydrophobicContact CD-CG2 4.11Å; K312-I315 HydrophobicContact CG-CG2 3.64Å
313	T	98	Very high	97.1	Very high	127 Å²	127	51.3 Å²	51.3	78%	0.779	29%	0.288	S	S	*	.	S	Bend	trans	-104.7	-23.7	168.9	53.4	0	0	0	0	112.3	L278	L278-T313 VanDerWaalsContact CD2-O 3.24Å; L278-T313 WeakPolarHBondContact CD2-O 3.4Å
314	S	98.3	Very high	97.2	Very high	40 Å²	40	49.7 Å²	49.7	28%	0.28	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	144	173.8	172.8	0	0	0	0	109	K272 I273	K272-S314 VanDerWaalsContact CE-OG 3.32Å; K272-S314 WeakPolarHBondContact CE-OG 3.49Å; I273-S314 WeakPolarHBondContact O-CA 3.46Å
315	I	98.2	Very high	97.2	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.015	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	165.9	168	62.3	174.4	0	0	0	110.1	I273 W308 L309 K312 E319 W320	I273-I315 HydrophobicContact CB-CG1 3.92Å; I273-I315 HydrophobicContact CD1-CD1 4.32Å; I273-I315 HydrophobicContact CD1-CG1 4.19Å; I273-I315 HydrophobicContact CG2-CG1 4.45Å; I273-I315 PolarHBondContact N-O 3.39Å; I273-I315 PolarHBondContact O-N 2.81Å; W308-I315 HydrophobicContact CH2-CD1 3.8Å; W308-I315 HydrophobicContact CH2-CG2 4.21Å; W308-I315 HydrophobicContact CZ2-CG2 4.37Å; W308-I315 HydrophobicContact CZ3-CD1 4.1Å; L309-I315 HydrophobicContact CD1-CD1 3.54Å; K312-I315 HydrophobicContact CB-CG2 3.78Å; K312-I315 HydrophobicContact CD-CG2 4.11Å; K312-I315 HydrophobicContact CG-CG2 3.64Å; I315-E319 WeakPolarHBondContact CA-OE2 3.44Å; I315-W320 HydrophobicContact CD1-CB 4.15Å; I315-W320 HydrophobicContact CD1-CE3 4.2Å
316	T	96.5	Very high	97.2	Very high	44 Å²	44	60.5 Å²	60.5	27%	0.27	32%	0.324	S	S	.	.			trans	-98.5	159.5	166.1	64.2	0	0	0	0	110.3	D271 Q318 E319 W320	D271-T316 WeakPolarHBondContact O-CB 3.27Å; D271-T316 VanDerWaalsContact O-CG2 3.31Å; D271-T316 WeakPolarHBondContact O-CG2 3.33Å; T316-Q318 PolarHBondContact O-N 2.65Å; T316-E319 PolarHBondContact N-OE2 3.14Å; T316-E319 PolarHBondContact O-N 3.42Å; T316-E319 WeakPolarHBondContact OG1-CB 3.44Å; T316-E319 VanDerWaalsContact OG1-CG 3.27Å; T316-E319 WeakPolarHBondContact OG1-CG 3.26Å; T316-E319 PolarHBondContact OG1-N 2.97Å; T316-E319 PolarHBondContact OG1-OE2 2.91Å; T316-E319 VanDerWaalsContact OG1-OE2 3.06Å; T316-W320 PolarHBondContact O-N 2.68Å
317	G	94.8	Very high	97.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.2	-29.9	171.8	0	0	0	0	0	112.6	G268 R270 W320 V321	G268-G317 CarbonylContact O-C 3.56Å; G268-G317 WeakPolarHBondContact O-CA 3.43Å; R270-G317 VanDerWaalsContact O-CA 3.26Å; R270-G317 WeakPolarHBondContact O-CA 3.36Å; R270-G317 PolarHBondContact O-N 3.26Å; G317-W320 WeakPolarHBondContact O-CB 3.11Å; G317-W320 PolarHBondContact O-N 3.46Å; G317-V321 WeakPolarHBondContact O-CG2 3.28Å; G317-V321 PolarHBondContact O-N 3.32Å
318	Q	94.3	Very high	97.2	Very high	130 Å²	130	63.5 Å²	63.5	61%	0.607	33%	0.33	S	S	*	.	H	α-helix	trans	-69.4	-43.1	174.4	-69.8	-174.4	-28.7	0	0	112.4	T316 W320 V321 A322	T316-Q318 PolarHBondContact O-N 2.65Å; Q318-W320 VanDerWaalsContact C-N 3.27Å; Q318-W320 PolarHBondContact O-N 3.38Å; Q318-V321 PolarHBondContact O-N 3.33Å; Q318-A322 VanDerWaalsContact O-CB 3.24Å; Q318-A322 WeakPolarHBondContact O-CB 3.38Å; Q318-A322 PolarHBondContact O-N 2.79Å
319	E	97.5	Very high	97.2	Very high	103 Å²	103	62.1 Å²	62.1	48%	0.481	33%	0.325	S	S	.	.	H	α-helix	trans	-61.9	-38	173.3	-74.6	168.2	132.9	0	0	111.6	I315 T316 Y323	I315-E319 WeakPolarHBondContact CA-OE2 3.44Å; T316-E319 PolarHBondContact N-OE2 3.14Å; T316-E319 PolarHBondContact O-N 3.42Å; T316-E319 WeakPolarHBondContact OG1-CB 3.44Å; T316-E319 VanDerWaalsContact OG1-CG 3.27Å; T316-E319 WeakPolarHBondContact OG1-CG 3.26Å; T316-E319 PolarHBondContact OG1-N 2.97Å; T316-E319 PolarHBondContact OG1-OE2 2.91Å; T316-E319 VanDerWaalsContact OG1-OE2 3.06Å; E319-Y323 WeakPolarHBondContact O-CB 3.5Å; E319-Y323 PolarHBondContact O-N 2.82Å
320	W	97.6	Very high	97.1	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-59.5	-54.5	172.9	168.5	-95.5	0	0	0	112	L263 V267 L281 L285 I305 W308 I315 T316 G317 Q318 A322 Y323 L324	L263-W320 HydrophobicContact CB-CZ2 4.34Å; L263-W320 HydrophobicContact CD2-CZ2 4.07Å; L263-W320 PolarHBondContact O-NE1 2.94Å; V267-W320 HydrophobicContact CB-CG 4.5Å; V267-W320 HydrophobicContact CG1-CB 4.43Å; V267-W320 HydrophobicContact CG1-CD2 3.77Å; V267-W320 HydrophobicContact CG1-CE3 4.47Å; V267-W320 HydrophobicContact CG1-CG 3.67Å; L281-W320 HydrophobicContact CD1-CH2 4.34Å; L281-W320 HydrophobicContact CD2-CE3 4.13Å; L281-W320 HydrophobicContact CD2-CZ3 4.11Å; L285-W320 HydrophobicContact CD1-CH2 4.01Å; L285-W320 HydrophobicContact CD1-CZ3 4.15Å; L285-W320 HydrophobicContact CD2-CH2 4.25Å; I305-W320 HydrophobicContact CG2-CH2 3.49Å; I305-W320 VanDerWaalsContact CG2-CH2 3.49Å; I305-W320 HydrophobicContact CG2-CZ3 3.49Å; I305-W320 VanDerWaalsContact CG2-CZ3 3.49Å; W308-W320 HydrophobicContact CH2-CE3 4.29Å; W308-W320 AromaticContact CZ3-CE3 3.68Å; W308-W320 HydrophobicContact CZ3-CE3 3.68Å; W308-W320 HydrophobicContact CZ3-CZ3 4.02Å; I315-W320 HydrophobicContact CD1-CB 4.15Å; I315-W320 HydrophobicContact CD1-CE3 4.2Å; T316-W320 PolarHBondContact O-N 2.68Å; G317-W320 WeakPolarHBondContact O-CB 3.11Å; G317-W320 PolarHBondContact O-N 3.46Å; Q318-W320 VanDerWaalsContact C-N 3.27Å; Q318-W320 PolarHBondContact O-N 3.38Å; W320-A322 VanDerWaalsContact C-N 3.34Å; W320-A322 PolarHBondContact O-N 3.35Å; W320-Y323 PolarHBondContact O-N 3.11Å; W320-Y323 VanDerWaalsContact O-N 3.14Å; W320-L324 HydrophobicContact CH2-CD2 4.35Å; W320-L324 HydrophobicContact CZ2-CD1 3.96Å; W320-L324 HydrophobicContact CZ2-CD2 3.96Å; W320-L324 HydrophobicContact CZ2-CG 4.21Å; W320-L324 WeakPolarHBondContact O-CG 3.23Å; W320-L324 PolarHBondContact O-N 2.93Å
321	V	95.7	Very high	97	Very high	22 Å²	22	60.9 Å²	60.9	13%	0.133	32%	0.319	C	S	.	.	H	α-helix	trans	-61.6	-43.2	179.7	172.9	0	0	0	0	111.2	Y99 G317 Q318 Y323 L324 E325	Y99-V321 HydrophobicContact CE2-CG2 4.22Å; G317-V321 WeakPolarHBondContact O-CG2 3.28Å; G317-V321 PolarHBondContact O-N 3.32Å; Q318-V321 PolarHBondContact O-N 3.33Å; V321-Y323 VanDerWaalsContact C-N 3.27Å; V321-Y323 PolarHBondContact O-N 2.85Å; V321-L324 PolarHBondContact O-N 2.94Å; V321-E325 PolarHBondContact O-N 2.85Å
322	A	96.9	Very high	96.8	Very high	54 Å²	54	58.1 Å²	58.1	45%	0.446	30%	0.296	S	S	.	.	H	α-helix	trans	-62.5	-34.4	176.9	0	0	0	0	0	112.2	Q318 W320 K326	Q318-A322 VanDerWaalsContact O-CB 3.24Å; Q318-A322 WeakPolarHBondContact O-CB 3.38Å; Q318-A322 PolarHBondContact O-N 2.79Å; W320-A322 VanDerWaalsContact C-N 3.34Å; W320-A322 PolarHBondContact O-N 3.35Å; A322-K326 VanDerWaalsContact O-CB 3.27Å; A322-K326 WeakPolarHBondContact O-CB 3.5Å; A322-K326 PolarHBondContact O-N 3.1Å
323	Y	98.3	Very high	96.5	Very high	27 Å²	27	60.3 Å²	60.3	11%	0.106	31%	0.306	C	S	.	.	H	α-helix	trans	-70.5	-44.1	175.1	-173.7	-106.1	0	0	0	112.1	I305 W308 E319 W320 V321 E325 K326 I327	I305-Y323 HydrophobicContact CG1-CE1 4.17Å; W308-Y323 HydrophobicContact CB-CD1 4.49Å; W308-Y323 HydrophobicContact CB-CE1 3.64Å; W308-Y323 HydrophobicContact CB-CE2 4.2Å; W308-Y323 VanDerWaalsContact CB-CZ 3.48Å; W308-Y323 WeakPolarHBondContact CB-OH 3.26Å; W308-Y323 AromaticContact CD1-CD2 3.83Å; W308-Y323 AromaticContact CD1-CE2 3.5Å; W308-Y323 VanDerWaalsContact CD1-CE2 3.5Å; W308-Y323 AromaticContact CD1-CZ 3.7Å; W308-Y323 AromaticContact CD2-CD1 3.51Å; W308-Y323 HydrophobicContact CD2-CD1 3.51Å; W308-Y323 HydrophobicContact CD2-CD2 4.03Å; W308-Y323 AromaticContact CD2-CE1 3.58Å; W308-Y323 HydrophobicContact CD2-CE1 3.58Å; W308-Y323 HydrophobicContact CD2-CE2 4.12Å; W308-Y323 AromaticContact CD2-CG 3.75Å; W308-Y323 HydrophobicContact CD2-CG 3.75Å; W308-Y323 AromaticContact CD2-CZ 3.91Å; W308-Y323 AromaticContact CE2-CD1 3.91Å; W308-Y323 AromaticContact CE2-CD2 3.77Å; W308-Y323 AromaticContact CE2-CG 3.62Å; W308-Y323 AromaticContact CE3-CD1 3.52Å; W308-Y323 HydrophobicContact CE3-CD1 3.52Å; W308-Y323 AromaticContact CE3-CE1 3.77Å; W308-Y323 HydrophobicContact CE3-CE1 3.77Å; W308-Y323 HydrophobicContact CE3-CG 4.08Å; W308-Y323 AromaticContact CG-CD1 3.97Å; W308-Y323 HydrophobicContact CG-CD1 3.97Å; W308-Y323 HydrophobicContact CG-CD2 4.08Å; W308-Y323 AromaticContact CG-CE1 3.54Å; W308-Y323 HydrophobicContact CG-CE1 3.54Å; W308-Y323 AromaticContact CG-CE2 3.7Å; W308-Y323 HydrophobicContact CG-CE2 3.7Å; W308-Y323 HydrophobicContact CG-CG 4.22Å; W308-Y323 AromaticContact CG-CZ 3.4Å; W308-Y323 VanDerWaalsContact CG-CZ 3.4Å; W308-Y323 HydrophobicContact CH2-CD1 4.28Å; W308-Y323 HydrophobicContact CH2-CG 4.19Å; W308-Y323 HydrophobicContact CZ2-CD1 4.29Å; W308-Y323 HydrophobicContact CZ2-CD2 4.31Å; W308-Y323 AromaticContact CZ2-CG 3.86Å; W308-Y323 HydrophobicContact CZ2-CG 3.86Å; W308-Y323 AromaticContact CZ3-CD1 3.91Å; W308-Y323 HydrophobicContact CZ3-CD1 3.91Å; W308-Y323 HydrophobicContact CZ3-CG 4.28Å; W308-Y323 AromaticContact NE1-CD2 3.6Å; W308-Y323 AromaticContact NE1-CE2 3.79Å; W308-Y323 AromaticContact NE1-CG 3.97Å; E319-Y323 WeakPolarHBondContact O-CB 3.5Å; E319-Y323 PolarHBondContact O-N 2.82Å; W320-Y323 PolarHBondContact O-N 3.11Å; W320-Y323 VanDerWaalsContact O-N 3.14Å; V321-Y323 VanDerWaalsContact C-N 3.27Å; V321-Y323 PolarHBondContact O-N 2.85Å; Y323-E325 VanDerWaalsContact C-N 3.28Å; Y323-E325 PolarHBondContact O-N 2.94Å; Y323-K326 HydrophobicContact CD2-CD 4.44Å; Y323-K326 WeakPolarHBondContact O-CB 3.35Å; Y323-K326 PolarHBondContact O-N 3.12Å; Y323-I327 HydrophobicContact CD1-CD1 4.48Å; Y323-I327 HydrophobicContact CD2-CG2 4.42Å; Y323-I327 HydrophobicContact CE1-CD1 4.03Å; Y323-I327 HydrophobicContact CE1-CG2 4.07Å; Y323-I327 HydrophobicContact CE2-CG2 3.85Å; Y323-I327 PolarHBondContact O-N 3.16Å
324	L	97.8	Very high	96.1	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-57.1	-42.7	173.6	-66.2	-173.5	0	0	0	111.6	I305 W320 V321 Q328 F329	I305-L324 HydrophobicContact CD1-CD2 3.43Å; I305-L324 VanDerWaalsContact CD1-CD2 3.43Å; I305-L324 HydrophobicContact CG1-CD2 4.14Å; W320-L324 HydrophobicContact CH2-CD2 4.35Å; W320-L324 HydrophobicContact CZ2-CD1 3.96Å; W320-L324 HydrophobicContact CZ2-CD2 3.96Å; W320-L324 HydrophobicContact CZ2-CG 4.21Å; W320-L324 WeakPolarHBondContact O-CG 3.23Å; W320-L324 PolarHBondContact O-N 2.93Å; V321-L324 PolarHBondContact O-N 2.94Å; L324-Q328 PolarHBondContact O-N 3.34Å; L324-Q328 VanDerWaalsContact O-N 3.16Å; L324-F329 HydrophobicContact CB-CB 4.1Å; L324-F329 HydrophobicContact CD2-CB 3.93Å; L324-F329 HydrophobicContact CD2-CD1 4.14Å; L324-F329 HydrophobicContact CD2-CD2 4.46Å; L324-F329 HydrophobicContact CD2-CG 3.92Å; L324-F329 WeakPolarHBondContact O-CB 3.07Å; L324-F329 PolarHBondContact O-N 3.24Å
325	E	96.6	Very high	95.8	Very high	150 Å²	150	58.5 Å²	58.5	70%	0.701	30%	0.3	S	S	*	.	H	α-helix	trans	-65.5	-45.2	176.1	-175.5	176.5	-165.8	0	0	111.9	V321 Y323 I327 Q328	V321-E325 PolarHBondContact O-N 2.85Å; Y323-E325 VanDerWaalsContact C-N 3.28Å; Y323-E325 PolarHBondContact O-N 2.94Å; E325-I327 VanDerWaalsContact C-N 3.33Å; E325-I327 PolarHBondContact O-N 2.85Å; E325-Q328 PolarHBondContact O-N 3.13Å
326	K	98	Very high	95.7	Very high	167 Å²	167	59.5 Å²	59.5	73%	0.726	31%	0.305	S	S	*	.	H	α-helix	trans	-56.5	-44.5	178.8	177.8	-172.8	173.7	-173.6	0	112.4	A322 Y323	A322-K326 VanDerWaalsContact O-CB 3.27Å; A322-K326 WeakPolarHBondContact O-CB 3.5Å; A322-K326 PolarHBondContact O-N 3.1Å; Y323-K326 HydrophobicContact CD2-CD 4.44Å; Y323-K326 WeakPolarHBondContact O-CB 3.35Å; Y323-K326 PolarHBondContact O-N 3.12Å
327	I	97.6	Very high	95.6	Very high	20 Å²	20	60.5 Å²	60.5	10%	0.103	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	0.5	178.8	72.6	174.5	0	0	0	112.5	Y301 E304 I305 Y323 E325 F329	Y301-I327 HydrophobicContact CD1-CD1 4.37Å; Y301-I327 WeakPolarHBondContact CE1-O 3.44Å; E304-I327 WeakPolarHBondContact OE1-CG2 3.43Å; I305-I327 HydrophobicContact CD1-CD1 3.96Å; I305-I327 HydrophobicContact CG1-CD1 3.5Å; I305-I327 VanDerWaalsContact CG1-CD1 3.5Å; Y323-I327 HydrophobicContact CD1-CD1 4.48Å; Y323-I327 HydrophobicContact CD2-CG2 4.42Å; Y323-I327 HydrophobicContact CE1-CD1 4.03Å; Y323-I327 HydrophobicContact CE1-CG2 4.07Å; Y323-I327 HydrophobicContact CE2-CG2 3.85Å; Y323-I327 PolarHBondContact O-N 3.16Å; E325-I327 VanDerWaalsContact C-N 3.33Å; E325-I327 PolarHBondContact O-N 2.85Å; I327-F329 VanDerWaalsContact C-N 3.28Å; I327-F329 HydrophobicContact CD1-CB 4.23Å; I327-F329 HydrophobicContact CD1-CD2 4.46Å; I327-F329 HydrophobicContact CG1-CB 4.02Å; I327-F329 PolarHBondContact O-N 3.29Å
328	Q	97.1	Very high	95.6	Very high	158 Å²	158	61.2 Å²	61.2	74%	0.738	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	42.7	-175.3	-56.4	-176.7	-26.8	0	0	112.8	L324 E325	L324-Q328 PolarHBondContact O-N 3.34Å; L324-Q328 VanDerWaalsContact O-N 3.16Å; E325-Q328 PolarHBondContact O-N 3.13Å
329	F	97.4	Very high	95.6	Very high	10 Å²	10	55.1 Å²	55.1	4%	0.044	29%	0.286	C	S	.	.			trans	-53.7	128.5	-177.9	-177.4	-103.7	0	0	0	111	L263 Y298 Y301 L302 I305 L324 I327 L331	L263-F329 HydrophobicContact CD1-CE1 3.82Å; L263-F329 HydrophobicContact CD1-CZ 3.97Å; Y298-F329 HydrophobicContact CE1-CZ 4.25Å; Y298-F329 HydrophobicContact CE2-CE1 4.44Å; Y298-F329 HydrophobicContact CE2-CE2 4.49Å; Y298-F329 AromaticContact CE2-CZ 3.98Å; Y298-F329 HydrophobicContact CE2-CZ 3.98Å; Y298-F329 AromaticContact CZ-CZ 3.59Å; Y298-F329 VanDerWaalsContact OH-CZ 3.28Å; Y298-F329 WeakPolarHBondContact OH-CZ 3.36Å; Y301-F329 HydrophobicContact CD1-CD2 4.42Å; Y301-F329 HydrophobicContact CG-CD2 4.28Å; L302-F329 HydrophobicContact CD2-CE2 4.11Å; L302-F329 HydrophobicContact CD2-CZ 4.02Å; I305-F329 HydrophobicContact CD1-CD2 3.3Å; I305-F329 HydrophobicContact CD1-CE2 3.43Å; I305-F329 VanDerWaalsContact CD1-CE2 3.43Å; I305-F329 HydrophobicContact CD1-CG 3.97Å; I305-F329 HydrophobicContact CD1-CZ 4.2Å; I305-F329 HydrophobicContact CG1-CD2 4.48Å; L324-F329 HydrophobicContact CB-CB 4.1Å; L324-F329 HydrophobicContact CD2-CB 3.93Å; L324-F329 HydrophobicContact CD2-CD1 4.14Å; L324-F329 HydrophobicContact CD2-CD2 4.46Å; L324-F329 HydrophobicContact CD2-CG 3.92Å; L324-F329 WeakPolarHBondContact O-CB 3.07Å; L324-F329 PolarHBondContact O-N 3.24Å; I327-F329 VanDerWaalsContact C-N 3.28Å; I327-F329 HydrophobicContact CD1-CB 4.23Å; I327-F329 HydrophobicContact CD1-CD2 4.46Å; I327-F329 HydrophobicContact CG1-CB 4.02Å; I327-F329 PolarHBondContact O-N 3.29Å; F329-L331 HydrophobicContact CD1-CD2 3.66Å; F329-L331 HydrophobicContact CD1-CG 3.9Å; F329-L331 HydrophobicContact CE1-CD2 3.84Å; F329-L331 HydrophobicContact CE1-CG 4.5Å; F329-L331 PolarHBondContact O-N 3.11Å
330	P	96.1	Very high	95.5	Very high	20 Å²	20	55 Å²	55	13%	0.13	29%	0.288	C	S	.	.			trans	-66.6	103.8	-177.6	23.7	-33.4	0	0	0	111.6	Y298 Y301 V528 F529	Y298-P330 HydrophobicContact CD2-CB 4.22Å; Y298-P330 HydrophobicContact CD2-CG 3.48Å; Y298-P330 VanDerWaalsContact CD2-CG 3.48Å; Y298-P330 HydrophobicContact CE2-CB 4.21Å; Y298-P330 HydrophobicContact CE2-CG 3.65Å; Y298-P330 WeakPolarHBondContact CE2-O 3.38Å; Y301-P330 HydrophobicContact CD2-CG 3.79Å; Y301-P330 HydrophobicContact CE2-CG 4.13Å; Y301-P330 HydrophobicContact CG-CG 4.28Å; P330-V528 HydrophobicContact CB-CG1 3.92Å; P330-V528 HydrophobicContact CB-CG2 3.99Å; P330-V528 HydrophobicContact CG-CG2 3.89Å; P330-F529 HydrophobicContact CB-CE1 4.28Å; P330-F529 HydrophobicContact CB-CZ 4.07Å; P330-F529 WeakPolarHBondContact O-CE1 3.43Å
331	L	94.6	Very high	95.2	Very high	39 Å²	39	55.6 Å²	55.6	20%	0.204	29%	0.294	C	S	.	.			trans	-104.9	126.8	173.7	-66.7	169.9	0	0	0	110	Q264 F329	Q264-L331 HydrophobicContact CB-CD1 3.97Å; Q264-L331 HydrophobicContact CB-CD2 4.31Å; Q264-L331 HydrophobicContact CG-CD1 3.91Å; F329-L331 HydrophobicContact CD1-CD2 3.66Å; F329-L331 HydrophobicContact CD1-CG 3.9Å; F329-L331 HydrophobicContact CE1-CD2 3.84Å; F329-L331 HydrophobicContact CE1-CG 4.5Å; F329-L331 PolarHBondContact O-N 3.11Å
332	Y	94.6	Very high	95.1	Very high	26 Å²	26	57.2 Å²	57.2	10%	0.102	31%	0.306	C	S	.	.			trans	-79.8	125.2	175.3	-174.6	-91.1	0	0	0	111	V253 R257 S260 L525 F529	V253-Y332 HydrophobicContact CG1-CE1 3.6Å; R257-Y332 HydrophobicContact CB-CD1 3.77Å; R257-Y332 HydrophobicContact CB-CE1 4.26Å; R257-Y332 WeakPolarHBondContact CD-O 3.33Å; R257-Y332 HydrophobicContact CG-CD1 4.39Å; R257-Y332 PolarHBondContact NH1-O 3.38Å; S260-Y332 PolarHBondContact OG-N 3.44Å; Y332-L525 HydrophobicContact CD2-CD1 3.78Å; Y332-L525 HydrophobicContact CE2-CD1 3.87Å; Y332-L525 HydrophobicContact CG-CD1 4.48Å; Y332-F529 HydrophobicContact CD2-CE2 4.15Å
333	K	91.1	Very high	94.8	Very high	121 Å²	121	59.4 Å²	59.4	53%	0.526	31%	0.306	S	S	.	.			trans	-117.1	129.9	175	-61.6	179.5	172.4	-167.7	0	108.6	E92	E92-K333 WeakPolarHBondContact OE1-CD 3.31Å
334	G	90	Very high	94.5	Very high	29 Å²	29	63 Å²	63	30%	0.299	33%	0.333	S	S	.	.	S	Bend	trans	158.5	173.5	-176.8	0	0	0	0	0	112.7	R257	R257-G334 PolarHBondContact NE-O 3.42Å
335	P	91.7	Very high	94.2	Very high	100 Å²	100	63.7 Å²	63.7	65%	0.649	34%	0.336	S	S	*	.			trans	-73	154.1	176	32.1	-34.7	0	0	0	111.5	V253	V253-P335 WeakPolarHBondContact CG1-O 3.36Å
336	F	94.9	Very high	94.1	Very high	24 Å²	24	57.1 Å²	57.1	11%	0.105	31%	0.305	C	S	.	.			trans	-69.6	154.8	163.3	-66.4	-79.8	0	0	0	110.2	D254 R257 M261 C339 N340	D254-F336 HydrophobicContact CB-CD1 4.17Å; D254-F336 VanDerWaalsContact OD1-CA 3.23Å; D254-F336 WeakPolarHBondContact OD1-CA 3.35Å; D254-F336 WeakPolarHBondContact OD1-CB 3.3Å; D254-F336 WeakPolarHBondContact OD1-CD1 3.04Å; R257-F336 HydrophobicContact CB-CD1 4.34Å; R257-F336 HydrophobicContact CB-CE1 3.87Å; R257-F336 HydrophobicContact CB-CZ 4.28Å; R257-F336 HydrophobicContact CG-CD1 4.23Å; R257-F336 HydrophobicContact CG-CE1 3.67Å; R257-F336 HydrophobicContact CG-CE2 4.1Å; R257-F336 HydrophobicContact CG-CZ 3.58Å; M261-F336 HydrophobicContact SD-CE2 4.06Å; M261-F336 HydrophobicContact SD-CZ 3.73Å; F336-C339 HydrophobicContact CB-CB 4.05Å; F336-C339 HydrophobicContact CD1-CB 3.89Å; F336-C339 HydrophobicContact CG-CB 4.15Å; F336-N340 HydrophobicContact CB-CB 4.47Å
337	I	95	Very high	93.9	Very high	65 Å²	65	52.3 Å²	52.3	33%	0.333	28%	0.282	S	S	.	.	S	Bend	trans	-108.1	-72.5	176.6	-58.9	176.5	0	0	0	110.5	Y251 V253 D254 N340	Y251-I337 HydrophobicContact CD1-CB 3.98Å; Y251-I337 HydrophobicContact CD1-CD1 3.78Å; Y251-I337 HydrophobicContact CD1-CG1 4.48Å; Y251-I337 HydrophobicContact CD1-CG2 3.68Å; Y251-I337 HydrophobicContact CD2-CG2 4.19Å; Y251-I337 HydrophobicContact CE1-CB 4.38Å; Y251-I337 HydrophobicContact CE1-CD1 4.27Å; Y251-I337 HydrophobicContact CE1-CG2 3.57Å; Y251-I337 HydrophobicContact CE2-CG2 4.08Å; Y251-I337 HydrophobicContact CG-CB 4.05Å; Y251-I337 HydrophobicContact CG-CG2 3.99Å; V253-I337 HydrophobicContact CB-CD1 4.14Å; V253-I337 HydrophobicContact CG1-CD1 4.27Å; V253-I337 HydrophobicContact CG1-CG1 4.27Å; V253-I337 HydrophobicContact CG2-CD1 4.18Å; D254-I337 PolarHBondContact OD1-N 3.29Å; I337-N340 WeakPolarHBondContact O-CB 3.13Å; I337-N340 PolarHBondContact O-N 2.82Å
338	A	94.3	Very high	93.8	Very high	16 Å²	16	51.6 Å²	51.6	13%	0.132	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-25.5	179	0	0	0	0	0	112.3	P248 Y251 D254 N340 R347	P248-A338 HydrophobicContact CB-CB 3.69Å; P248-A338 HydrophobicContact CG-CB 3.48Å; P248-A338 VanDerWaalsContact CG-CB 3.48Å; Y251-A338 HydrophobicContact CD2-CB 3.44Å; Y251-A338 VanDerWaalsContact CD2-CB 3.44Å; Y251-A338 HydrophobicContact CE2-CB 3.92Å; Y251-A338 HydrophobicContact CG-CB 4.38Å; D254-A338 WeakPolarHBondContact OD2-CA 3.34Å; D254-A338 VanDerWaalsContact OD2-CB 3.26Å; D254-A338 WeakPolarHBondContact OD2-CB 3.32Å; D254-A338 PolarHBondContact OD2-N 2.82Å; A338-N340 VanDerWaalsContact C-N 3.29Å; A338-R347 PolarHBondContact O-NH2 3.5Å
339	C	95.8	Very high	93.8	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.014	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	4.2	171	-74.5	0	0	0	0	113.8	D254 F336 G341 R347 G348 C351 G352	D254-C339 HydrophobicContact CB-CB 4.28Å; D254-C339 PolarHBondContact OD2-N 2.97Å; F336-C339 HydrophobicContact CB-CB 4.05Å; F336-C339 HydrophobicContact CD1-CB 3.89Å; F336-C339 HydrophobicContact CG-CB 4.15Å; C339-G341 PolarHBondContact O-N 3.22Å; C339-R347 WeakPolarHBondContact O-CB 3.36Å; C339-G348 WeakPolarHBondContact O-CA 3.23Å; C339-G348 PolarHBondContact O-N 3.2Å; C339-C351 WeakPolarHBondContact CA-SG 3.46Å; C339-C351 HydrophobicContact CB-CB 3.61Å; C339-C351 WeakPolarHBondContact CB-SG 3.39Å; C339-C351 WeakPolarHBondContact SG-CB 3.16Å; C339-C351 CovalentContact SG-SG 2.06Å; C339-C351 PolarHBondContact SG-SG 3.13Å; C339-G352 PolarHBondContact SG-N 3.1Å
340	N	93.9	Very high	93.8	Very high	100 Å²	100	45.2 Å²	45.2	54%	0.535	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-67.2	130.2	171.5	-161	23.3	0	0	0	110.6	F336 I337 A338	F336-N340 HydrophobicContact CB-CB 4.47Å; I337-N340 WeakPolarHBondContact O-CB 3.13Å; I337-N340 PolarHBondContact O-N 2.82Å; A338-N340 VanDerWaalsContact C-N 3.29Å
341	G	92.3	Very high	93.9	Very high	12 Å²	12	45.4 Å²	45.4	12%	0.124	25%	0.254	C	S	.	.			trans	-78.7	163	178.4	0	0	0	0	0	113.1	C339 K343 F346 D469	C339-G341 PolarHBondContact O-N 3.22Å; G341-K343 PolarHBondContact O-N 3.42Å; G341-F346 WeakPolarHBondContact CA-O 3.4Å; G341-D469 VanDerWaalsContact CA-OD2 3.3Å; G341-D469 WeakPolarHBondContact CA-OD2 3.42Å
342	S	92.6	Very high	94	Very high	56 Å²	56	43.6 Å²	43.6	39%	0.392	25%	0.245	S	C	.	.	S	Bend	trans	-59	-25.1	166.6	62.7	0	0	0	0	112.8	D469	S342-D469 WeakPolarHBondContact CB-OD1 3.24Å; S342-D469 PolarHBondContact N-OD2 2.96Å; S342-D469 VanDerWaalsContact OG-CG 3.31Å; S342-D469 PolarHBondContact OG-OD1 2.83Å
343	K	91.9	Very high	94.2	Very high	101 Å²	101	42.6 Å²	42.6	44%	0.439	24%	0.241	S	C	.	.	S	Bend	trans	-133.7	157.9	170	-62.1	-175.8	-177.3	175.7	0	109.8	G341 H345 F346	G341-K343 PolarHBondContact O-N 3.42Å; K343-H345 PolarHBondContact O-N 3.15Å; K343-F346 HydrophobicContact CB-CD2 3.83Å; K343-F346 HydrophobicContact CB-CE2 4.18Å; K343-F346 HydrophobicContact CD-CE2 4.17Å; K343-F346 HydrophobicContact CG-CD2 4.31Å; K343-F346 HydrophobicContact CG-CE2 4.32Å; K343-F346 PolarHBondContact O-N 3.22Å
344	P	90.9	Very high	94.5	Very high	102 Å²	102	38.7 Å²	38.7	66%	0.662	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-19.5	-175.3	-27.6	35.6	0	0	0	116.5	K56	K56-P344 WeakPolarHBondContact CD-O 3.26Å
345	H	91.7	Very high	94.9	Very high	20 Å²	20	38.2 Å²	38.2	9%	0.093	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-1	178.7	55.6	-91.8	0	0	0	113.5	K56 S57 I62 K343	K56-H345 HydrophobicContact CB-CB 4.45Å; K56-H345 VanDerWaalsContact O-CA 3.28Å; K56-H345 WeakPolarHBondContact O-CA 3.06Å; K56-H345 WeakPolarHBondContact O-CB 3.44Å; S57-H345 WeakPolarHBondContact CA-O 3.26Å; I62-H345 WeakPolarHBondContact CD1-O 3.33Å; K343-H345 PolarHBondContact O-N 3.15Å
346	F	94.2	Very high	95.2	Very high	12 Å²	12	33.5 Å²	33.5	5%	0.053	18%	0.184	C	C	.	.	S	Bend	trans	-100.3	152	177.8	-69.5	-49.6	0	0	0	112.1	I62 G341 K343 G348 P466 D469	I62-F346 HydrophobicContact CD1-CD1 4.49Å; G341-F346 WeakPolarHBondContact CA-O 3.4Å; K343-F346 HydrophobicContact CB-CD2 3.83Å; K343-F346 HydrophobicContact CB-CE2 4.18Å; K343-F346 HydrophobicContact CD-CE2 4.17Å; K343-F346 HydrophobicContact CG-CD2 4.31Å; K343-F346 HydrophobicContact CG-CE2 4.32Å; K343-F346 PolarHBondContact O-N 3.22Å; F346-G348 PolarHBondContact O-N 3.29Å; F346-P466 WeakPolarHBondContact CE1-O 3.28Å; F346-D469 HydrophobicContact CB-CB 3.9Å; F346-D469 WeakPolarHBondContact CB-OD2 3.41Å; F346-D469 HydrophobicContact CD1-CB 4.45Å; F346-D469 HydrophobicContact CD2-CB 4.42Å; F346-D469 HydrophobicContact CG-CB 4.04Å
347	R	94.5	Very high	95.4	Very high	65 Å²	65	32.6 Å²	32.6	25%	0.245	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	60.9	-96	174.7	-55.1	-179.1	61.7	126.4	-0	113.2	A338 C339 Y349 P350 C351 D469	A338-R347 PolarHBondContact O-NH2 3.5Å; C339-R347 WeakPolarHBondContact O-CB 3.36Å; R347-Y349 PolarHBondContact O-N 2.75Å; R347-P350 WeakPolarHBondContact O-CD 3.29Å; R347-C351 HydrophobicContact CB-CB 4.12Å; R347-D469 WeakPolarHBondContact CD-OD2 3.47Å; R347-D469 HydrophobicContact CG-CB 4.04Å
348	G	95.6	Very high	95.6	Very high	6 Å²	6	29.5 Å²	29.5	6%	0.062	16%	0.164	C	C	.	.	H	α-helix	trans	49.6	-129.4	173.7	0	0	0	0	0	114.3	C339 F346 C351 G352	C339-G348 WeakPolarHBondContact O-CA 3.23Å; C339-G348 PolarHBondContact O-N 3.2Å; F346-G348 PolarHBondContact O-N 3.29Å; G348-C351 WeakPolarHBondContact O-CB 3.29Å; G348-C351 PolarHBondContact O-N 2.93Å; G348-C351 VanDerWaalsContact O-N 3.13Å; G348-G352 PolarHBondContact O-N 3.27Å; G348-G352 VanDerWaalsContact O-N 3.13Å
349	Y	97.3	Very high	95.8	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-57.9	-50.2	-171.3	169.9	-133.6	0	0	0	114.4	S258 M261 L262 D266 R347 C351 G352 L353 F391	S258-Y349 WeakPolarHBondContact O-CE2 3.39Å; M261-Y349 HydrophobicContact CB-CD2 3.84Å; M261-Y349 HydrophobicContact CB-CE2 3.65Å; M261-Y349 HydrophobicContact CB-CG 4.47Å; M261-Y349 HydrophobicContact CE-CD1 4.07Å; M261-Y349 HydrophobicContact CE-CD2 4.1Å; M261-Y349 HydrophobicContact CE-CG 3.68Å; M261-Y349 HydrophobicContact CG-CD2 4.5Å; M261-Y349 HydrophobicContact SD-CD2 3.92Å; M261-Y349 HydrophobicContact SD-CG 4.06Å; L262-Y349 VanDerWaalsContact CA-OH 3.26Å; L262-Y349 WeakPolarHBondContact CA-OH 3.33Å; L262-Y349 HydrophobicContact CB-CE2 4.44Å; L262-Y349 WeakPolarHBondContact CD1-OH 3.44Å; D266-Y349 VanDerWaalsContact CG-OH 3.3Å; D266-Y349 PolarHBondContact OD2-OH 3.42Å; R347-Y349 PolarHBondContact O-N 2.75Å; Y349-C351 VanDerWaalsContact C-N 3.28Å; Y349-C351 PolarHBondContact O-N 3.27Å; Y349-G352 PolarHBondContact O-N 3.13Å; Y349-G352 VanDerWaalsContact O-N 3.1Å; Y349-L353 HydrophobicContact CD2-CD1 4.3Å; Y349-L353 HydrophobicContact CD2-CG 4.01Å; Y349-L353 HydrophobicContact CE1-CD1 4.22Å; Y349-L353 HydrophobicContact CE2-CD1 3.66Å; Y349-L353 HydrophobicContact CE2-CD2 3.76Å; Y349-L353 HydrophobicContact CE2-CG 3.54Å; Y349-L353 PolarHBondContact O-N 3.46Å; Y349-F391 HydrophobicContact CD1-CE2 4.15Å; Y349-F391 HydrophobicContact CE1-CD2 4.15Å; Y349-F391 AromaticContact CE1-CE2 3.57Å; Y349-F391 HydrophobicContact CE1-CE2 3.57Å
350	P	97.3	Very high	95.8	Very high	31 Å²	31	28.7 Å²	28.7	20%	0.201	16%	0.157	C	C	.	.	H	α-helix	trans	-56.6	-36.8	174.4	-26.5	32.3	0	0	0	114.3	S57 R347 L353 W354 F391	S57-P350 VanDerWaalsContact OG-CD 3.27Å; S57-P350 WeakPolarHBondContact OG-CD 3.15Å; R347-P350 WeakPolarHBondContact O-CD 3.29Å; P350-L353 PolarHBondContact O-N 2.9Å; P350-W354 PolarHBondContact O-N 2.66Å; P350-W354 VanDerWaalsContact O-N 3.11Å; P350-F391 HydrophobicContact CG-CZ 4.3Å
351	C	97.3	Very high	96	Very high	24 Å²	24	23.9 Å²	23.9	16%	0.162	13%	0.132	C	C	.	.	H	α-helix	trans	-64.2	-43	176	168.7	0	0	0	0	111.6	C339 R347 G348 Y349 L353 W354 T355	C339-C351 WeakPolarHBondContact CA-SG 3.46Å; C339-C351 HydrophobicContact CB-CB 3.61Å; C339-C351 WeakPolarHBondContact CB-SG 3.39Å; C339-C351 WeakPolarHBondContact SG-CB 3.16Å; C339-C351 CovalentContact SG-SG 2.06Å; C339-C351 PolarHBondContact SG-SG 3.13Å; R347-C351 HydrophobicContact CB-CB 4.12Å; G348-C351 WeakPolarHBondContact O-CB 3.29Å; G348-C351 PolarHBondContact O-N 2.93Å; G348-C351 VanDerWaalsContact O-N 3.13Å; Y349-C351 VanDerWaalsContact C-N 3.28Å; Y349-C351 PolarHBondContact O-N 3.27Å; C351-L353 VanDerWaalsContact C-N 3.34Å; C351-W354 PolarHBondContact O-N 2.9Å; C351-T355 PolarHBondContact O-N 3.1Å; C351-T355 VanDerWaalsContact O-N 3.1Å; C351-T355 PolarHBondContact O-OG1 3.41Å
352	G	97.7	Very high	96.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62	-42.9	176.5	0	0	0	0	0	111.7	S258 C339 G348 Y349 T355 L356	S258-G352 PolarHBondContact OG-O 3Å; C339-G352 PolarHBondContact SG-N 3.1Å; G348-G352 PolarHBondContact O-N 3.27Å; G348-G352 VanDerWaalsContact O-N 3.13Å; Y349-G352 PolarHBondContact O-N 3.13Å; Y349-G352 VanDerWaalsContact O-N 3.1Å; G352-T355 WeakPolarHBondContact O-CA 3.26Å; G352-T355 WeakPolarHBondContact O-CB 3.42Å; G352-T355 PolarHBondContact O-N 3.2Å; G352-T355 VanDerWaalsContact O-N 3.11Å; G352-L356 PolarHBondContact O-N 2.03Å
353	L	98.1	Very high	96.3	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.026	11%	0.113	C	C	.	.	H	α-helix	trans	-60.2	-47.6	176.8	-75.6	-176.9	0	0	0	112.8	S258 L262 Y349 P350 C351 T355 L356 F357 F391	S258-L353 PolarHBondContact OG-N 3.42Å; L262-L353 HydrophobicContact CB-CD2 4.17Å; L262-L353 HydrophobicContact CD1-CD1 4.43Å; L262-L353 HydrophobicContact CD1-CD2 4.17Å; L262-L353 HydrophobicContact CD2-CD2 3.82Å; L262-L353 HydrophobicContact CG-CD2 4.3Å; Y349-L353 HydrophobicContact CD2-CD1 4.3Å; Y349-L353 HydrophobicContact CD2-CG 4.01Å; Y349-L353 HydrophobicContact CE1-CD1 4.22Å; Y349-L353 HydrophobicContact CE2-CD1 3.66Å; Y349-L353 HydrophobicContact CE2-CD2 3.76Å; Y349-L353 HydrophobicContact CE2-CG 3.54Å; Y349-L353 PolarHBondContact O-N 3.46Å; P350-L353 PolarHBondContact O-N 2.9Å; C351-L353 VanDerWaalsContact C-N 3.34Å; L353-T355 PolarHBondContact O-N 2.97Å; L353-L356 HydrophobicContact CD2-CD2 4.42Å; L353-L356 WeakPolarHBondContact O-CB 3.47Å; L353-L356 PolarHBondContact O-N 3.3Å; L353-L356 VanDerWaalsContact O-N 3.15Å; L353-F357 HydrophobicContact CB-CE1 4.2Å; L353-F357 HydrophobicContact CB-CE2 4.21Å; L353-F357 HydrophobicContact CB-CZ 3.75Å; L353-F357 HydrophobicContact CD1-CZ 4.45Å; L353-F357 HydrophobicContact CD2-CE1 4.3Å; L353-F357 HydrophobicContact CD2-CZ 4.37Å; L353-F357 HydrophobicContact CG-CZ 4.43Å; L353-F357 WeakPolarHBondContact O-CD1 3.4Å; L353-F357 WeakPolarHBondContact O-CD2 3.17Å; L353-F357 WeakPolarHBondContact O-CE1 3.47Å; L353-F357 WeakPolarHBondContact O-CG 3.21Å; L353-F357 PolarHBondContact O-N 2.89Å; L353-F391 HydrophobicContact CD1-CD2 3.63Å; L353-F391 HydrophobicContact CD1-CE2 3.42Å; L353-F391 VanDerWaalsContact CD1-CE2 3.42Å; L353-F391 HydrophobicContact CD1-CZ 4.39Å
354	W	98.2	Very high	96.4	Very high	39 Å²	39	17.1 Å²	17.1	15%	0.148	9%	0.092	C	C	.	.	H	α-helix	trans	-58.6	-39	174.9	-82	107	0	0	0	111.8	P350 C351 F357 H358 F400 L451 V454 H455 V458	P350-W354 PolarHBondContact O-N 2.66Å; P350-W354 VanDerWaalsContact O-N 3.11Å; C351-W354 PolarHBondContact O-N 2.9Å; W354-F357 HydrophobicContact CD2-CD2 4.3Å; W354-F357 HydrophobicContact CE3-CD2 4.03Å; W354-F357 HydrophobicContact CZ3-CD2 4.47Å; W354-F357 PolarHBondContact O-N 2.87Å; W354-H358 PolarHBondContact O-CD2 3.02Å; W354-H358 PolarHBondContact O-N 3.43Å; W354-F400 HydrophobicContact CH2-CD2 4.47Å; W354-F400 AromaticContact CH2-CE2 3.98Å; W354-F400 HydrophobicContact CH2-CE2 3.98Å; W354-F400 HydrophobicContact CZ2-CD2 4.44Å; W354-F400 HydrophobicContact CZ2-CE2 4.27Å; W354-L451 HydrophobicContact CE3-CD1 4.4Å; W354-L451 HydrophobicContact CZ3-CD1 3.75Å; W354-L451 HydrophobicContact CZ3-CG 4.44Å; W354-V454 HydrophobicContact CH2-CG1 4.19Å; W354-H455 AromaticContact CD2-CD2 3.77Å; W354-H455 AromaticContact CD2-NE2 3.85Å; W354-H455 AromaticContact CE2-CD2 3.94Å; W354-H455 HydrophobicContact CE3-CB 3.91Å; W354-H455 AromaticContact CE3-CD2 3.86Å; W354-H455 AromaticContact CE3-CG 3.64Å; W354-H455 AromaticContact CE3-ND1 3.9Å; W354-H455 AromaticContact CG-NE2 3.87Å; W354-H455 HydrophobicContact CH2-CB 4.13Å; W354-H455 HydrophobicContact CZ3-CB 3.59Å; W354-H455 AromaticContact CZ3-CG 3.82Å; W354-V458 HydrophobicContact CH2-CG2 4.3Å; W354-V458 HydrophobicContact CZ2-CB 4.3Å; W354-V458 HydrophobicContact CZ2-CG1 4.28Å; W354-V458 HydrophobicContact CZ2-CG2 4.1Å
355	T	98.2	Very high	96.6	Very high	20 Å²	20	15.1 Å²	15.1	12%	0.123	7%	0.072	C	C	.	.	H	α-helix	trans	-63.9	-43	176.2	-54.6	0	0	0	0	111.7	V250 V255 C351 G352 L353 H358 A359 Y515	V250-T355 HydrophobicContact CB-CG2 4.39Å; V250-T355 HydrophobicContact CG1-CG2 3.61Å; V250-T355 HydrophobicContact CG2-CG2 4.06Å; V255-T355 HydrophobicContact CG2-CG2 3.84Å; C351-T355 PolarHBondContact O-N 3.1Å; C351-T355 VanDerWaalsContact O-N 3.1Å; C351-T355 PolarHBondContact O-OG1 3.41Å; G352-T355 WeakPolarHBondContact O-CA 3.26Å; G352-T355 WeakPolarHBondContact O-CB 3.42Å; G352-T355 PolarHBondContact O-N 3.2Å; G352-T355 VanDerWaalsContact O-N 3.11Å; L353-T355 PolarHBondContact O-N 2.97Å; T355-H358 PolarHBondContact O-N 2.63Å; T355-A359 WeakPolarHBondContact O-CB 3.1Å; T355-A359 PolarHBondContact O-N 3.38Å; T355-Y515 HydrophobicContact CG2-CE1 4.34Å
356	L	98.3	Very high	96.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59	-44.1	172.6	170	65.7	0	0	0	111.6	V255 L259 L292 G352 L353 A359 L360	V255-L356 HydrophobicContact CG1-CB 4.15Å; V255-L356 HydrophobicContact CG1-CD1 3.67Å; V255-L356 HydrophobicContact CG1-CG 4.49Å; L259-L356 HydrophobicContact CB-CD2 4.19Å; L259-L356 HydrophobicContact CD1-CD2 4.13Å; L292-L356 HydrophobicContact CD1-CD1 3.76Å; G352-L356 PolarHBondContact O-N 2.03Å; L353-L356 HydrophobicContact CD2-CD2 4.42Å; L353-L356 WeakPolarHBondContact O-CB 3.47Å; L353-L356 PolarHBondContact O-N 3.3Å; L353-L356 VanDerWaalsContact O-N 3.15Å; L356-A359 WeakPolarHBondContact O-CB 3.49Å; L356-A359 PolarHBondContact O-N 2.85Å; L356-L360 HydrophobicContact CD1-CD1 4.02Å; L356-L360 HydrophobicContact CD1-CG 4.04Å; L356-L360 HydrophobicContact CG-CD1 4.13Å; L356-L360 WeakPolarHBondContact O-CG 3.39Å; L356-L360 PolarHBondContact O-N 2.06Å
357	F	98.6	Very high	96.5	Very high	5 Å²	5	19.4 Å²	19.4	2%	0.022	10%	0.095	C	C	.	.	H	α-helix	trans	-62.5	-48	-179.6	-55.1	-18.2	0	0	0	110.9	L353 W354 A359 L360 T361 L383 I387 F400 L451	L353-F357 HydrophobicContact CB-CE1 4.2Å; L353-F357 HydrophobicContact CB-CE2 4.21Å; L353-F357 HydrophobicContact CB-CZ 3.75Å; L353-F357 HydrophobicContact CD1-CZ 4.45Å; L353-F357 HydrophobicContact CD2-CE1 4.3Å; L353-F357 HydrophobicContact CD2-CZ 4.37Å; L353-F357 HydrophobicContact CG-CZ 4.43Å; L353-F357 WeakPolarHBondContact O-CD1 3.4Å; L353-F357 WeakPolarHBondContact O-CD2 3.17Å; L353-F357 WeakPolarHBondContact O-CE1 3.47Å; L353-F357 WeakPolarHBondContact O-CG 3.21Å; L353-F357 PolarHBondContact O-N 2.89Å; W354-F357 HydrophobicContact CD2-CD2 4.3Å; W354-F357 HydrophobicContact CE3-CD2 4.03Å; W354-F357 HydrophobicContact CZ3-CD2 4.47Å; W354-F357 PolarHBondContact O-N 2.87Å; F357-A359 VanDerWaalsContact C-N 3.34Å; F357-A359 PolarHBondContact O-N 3.4Å; F357-L360 PolarHBondContact O-N 3.14Å; F357-T361 WeakPolarHBondContact O-CG2 3.47Å; F357-T361 PolarHBondContact O-N 2.83Å; F357-L383 HydrophobicContact CB-CD1 3.78Å; F357-L383 HydrophobicContact CD1-CD1 4.03Å; F357-L383 HydrophobicContact CD1-CD2 3.42Å; F357-L383 VanDerWaalsContact CD1-CD2 3.42Å; F357-L383 HydrophobicContact CD1-CG 4.39Å; F357-L383 HydrophobicContact CE1-CD2 3.62Å; F357-L383 HydrophobicContact CG-CD1 3.87Å; F357-L383 HydrophobicContact CG-CD2 4.07Å; F357-L383 HydrophobicContact CZ-CD2 4.39Å; F357-I387 HydrophobicContact CE1-CD1 3.8Å; F357-I387 HydrophobicContact CE1-CG1 4.24Å; F357-I387 HydrophobicContact CE2-CD1 4.39Å; F357-I387 HydrophobicContact CE2-CG1 4.36Å; F357-I387 HydrophobicContact CZ-CD1 3.38Å; F357-I387 HydrophobicContact CZ-CG1 3.74Å; F357-F400 HydrophobicContact CE2-CE2 4.22Å; F357-F400 HydrophobicContact CE2-CZ 4.46Å; F357-L451 HydrophobicContact CB-CD1 4.37Å; F357-L451 HydrophobicContact CB-CD2 3.59Å
358	H	98.6	Very high	96.1	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-60.3	-44.4	177.1	-77.2	-65.9	0	0	0	111.7	W354 T355 L360 T361 V362 L451 H455 Y515	W354-H358 PolarHBondContact O-CD2 3.02Å; W354-H358 PolarHBondContact O-N 3.43Å; T355-H358 PolarHBondContact O-N 2.63Å; H358-L360 PolarHBondContact O-N 2.84Å; H358-T361 PolarHBondContact O-N 2.95Å; H358-T361 PolarHBondContact O-OG1 2.87Å; H358-V362 PolarHBondContact O-N 3.17Å; H358-V362 VanDerWaalsContact O-N 3.1Å; H358-L451 HydrophobicContact CB-CD2 4.38Å; H358-H455 AromaticContact CD2-ND1 3.95Å; H358-H455 AromaticContact NE2-CG 3.88Å; H358-H455 AromaticContact NE2-ND1 3.13Å; H358-H455 PolarHBondContact NE2-ND1 2.8Å; H358-H455 VanDerWaalsContact NE2-ND1 3.13Å; H358-Y515 HydrophobicContact CB-CD1 3.44Å; H358-Y515 VanDerWaalsContact CB-CD1 3.44Å; H358-Y515 HydrophobicContact CB-CD2 3.71Å; H358-Y515 HydrophobicContact CB-CE1 3.46Å; H358-Y515 VanDerWaalsContact CB-CE1 3.46Å; H358-Y515 HydrophobicContact CB-CE2 3.74Å; H358-Y515 HydrophobicContact CB-CG 3.57Å; H358-Y515 AromaticContact CD2-CZ 3.9Å; H358-Y515 AromaticContact CG-CE1 4Å; H358-Y515 AromaticContact CG-CE2 3.78Å; H358-Y515 AromaticContact CG-CZ 3.67Å
359	A	97.9	Very high	95.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-53.9	-51.1	173.2	0	0	0	0	0	112.3	T355 L356 F357 T361 V362 E363 W520	T355-A359 WeakPolarHBondContact O-CB 3.1Å; T355-A359 PolarHBondContact O-N 3.38Å; L356-A359 WeakPolarHBondContact O-CB 3.49Å; L356-A359 PolarHBondContact O-N 2.85Å; F357-A359 VanDerWaalsContact C-N 3.34Å; F357-A359 PolarHBondContact O-N 3.4Å; A359-T361 VanDerWaalsContact C-N 3.34Å; A359-T361 PolarHBondContact O-N 3.33Å; A359-V362 PolarHBondContact O-N 3.34Å; A359-E363 VanDerWaalsContact O-CG 3.23Å; A359-E363 WeakPolarHBondContact O-CG 3.41Å; A359-E363 PolarHBondContact O-N 3.45Å; A359-W520 HydrophobicContact CB-CH2 3.96Å; A359-W520 HydrophobicContact CB-CZ2 3.4Å; A359-W520 VanDerWaalsContact CB-CZ2 3.4Å
360	L	97.5	Very high	93.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.9	-41	-180	-69.2	172.7	0	0	0	112.4	F284 I287 L288 I291 L292 L356 F357 H358 V362 E363 Q364 V379	F284-L360 HydrophobicContact CE2-CD1 4.47Å; I287-L360 HydrophobicContact CG2-CD1 4.28Å; I287-L360 HydrophobicContact CG2-CD2 4.35Å; L288-L360 HydrophobicContact CD2-CD1 4.32Å; L288-L360 HydrophobicContact CD2-CD2 4.42Å; I291-L360 HydrophobicContact CB-CD2 4.43Å; I291-L360 HydrophobicContact CG2-CD2 4.18Å; I291-L360 WeakPolarHBondContact CG2-O 3.24Å; L292-L360 HydrophobicContact CB-CD2 4.36Å; L292-L360 HydrophobicContact CD1-CD2 4.11Å; L356-L360 HydrophobicContact CD1-CD1 4.02Å; L356-L360 HydrophobicContact CD1-CG 4.04Å; L356-L360 HydrophobicContact CG-CD1 4.13Å; L356-L360 WeakPolarHBondContact O-CG 3.39Å; L356-L360 PolarHBondContact O-N 2.06Å; F357-L360 PolarHBondContact O-N 3.14Å; H358-L360 PolarHBondContact O-N 2.84Å; L360-V362 PolarHBondContact O-N 2.94Å; L360-E363 PolarHBondContact O-N 3.46Å; L360-Q364 WeakPolarHBondContact O-CB 3.49Å; L360-Q364 PolarHBondContact O-N 2.83Å; L360-V379 HydrophobicContact CB-CG1 3.75Å; L360-V379 HydrophobicContact CB-CG2 4.18Å
361	T	97.4	Very high	92.1	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.8	-40.5	177.9	61.9	0	0	0	0	112.5	F357 H358 A359 Y365 V379 T447 V448 L451	F357-T361 WeakPolarHBondContact O-CG2 3.47Å; F357-T361 PolarHBondContact O-N 2.83Å; H358-T361 PolarHBondContact O-N 2.95Å; H358-T361 PolarHBondContact O-OG1 2.87Å; A359-T361 VanDerWaalsContact C-N 3.34Å; A359-T361 PolarHBondContact O-N 3.33Å; T361-Y365 PolarHBondContact O-N 3.31Å; T361-V379 HydrophobicContact CG2-CG1 3.81Å; T361-T447 HydrophobicContact CG2-CG2 3.64Å; T361-V448 WeakPolarHBondContact O-CG2 3.42Å; T361-L451 HydrophobicContact CG2-CB 4.12Å; T361-L451 HydrophobicContact CG2-CD2 3.63Å; T361-L451 HydrophobicContact CG2-CG 4.48Å
362	V	96.7	Very high	90.3	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-69.3	-41.7	178.7	167.3	0	0	0	0	111.1	H358 A359 L360 Y365 L366 V448 V512 R516	H358-V362 PolarHBondContact O-N 3.17Å; H358-V362 VanDerWaalsContact O-N 3.1Å; A359-V362 PolarHBondContact O-N 3.34Å; L360-V362 PolarHBondContact O-N 2.94Å; V362-Y365 WeakPolarHBondContact O-CB 3.4Å; V362-Y365 PolarHBondContact O-N 3.08Å; V362-L366 HydrophobicContact CG1-CD1 3.99Å; V362-L366 HydrophobicContact CG1-CG 4.27Å; V362-L366 WeakPolarHBondContact O-CG 3.26Å; V362-L366 PolarHBondContact O-N 3.23Å; V362-V448 HydrophobicContact CG2-CG1 4.1Å; V362-V448 HydrophobicContact CG2-CG2 4.11Å; V362-V512 HydrophobicContact CG1-CB 4.42Å; V362-V512 HydrophobicContact CG1-CG1 4.17Å; V362-V512 HydrophobicContact CG2-CG2 4.45Å; V362-R516 HydrophobicContact CG1-CB 4.04Å
363	E	94.6	Very high	88.4	Confident	24 Å²	24	40.2 Å²	40.2	11%	0.112	24%	0.236	C	C	.	.	H	α-helix	trans	-69.3	-35.4	179.6	-64.3	-69.7	149.2	0	0	111.8	I291 P293 A359 L360 Y365 L366 L367 A517	I291-E363 HydrophobicContact CG2-CB 3.64Å; P293-E363 HydrophobicContact CG-CB 4.32Å; P293-E363 HydrophobicContact CG-CG 3.34Å; A359-E363 VanDerWaalsContact O-CG 3.23Å; A359-E363 WeakPolarHBondContact O-CG 3.41Å; A359-E363 PolarHBondContact O-N 3.45Å; L360-E363 PolarHBondContact O-N 3.46Å; E363-Y365 VanDerWaalsContact C-N 3.3Å; E363-Y365 PolarHBondContact O-N 3Å; E363-L366 PolarHBondContact O-N 2.73Å; E363-L367 WeakPolarHBondContact O-CB 3.33Å; E363-L367 VanDerWaalsContact O-CG 3.25Å; E363-L367 WeakPolarHBondContact O-CG 3.12Å; E363-L367 PolarHBondContact O-N 3.04Å; E363-A517 WeakPolarHBondContact OE1-CB 3.43Å; E363-A517 PolarHBondContact OE1-N 3.37Å
364	Q	94.3	Very high	86.8	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.009	25%	0.254	C	S	.	.	H	α-helix	trans	-56.2	-47.6	169	-172	-168.4	-62.2	0	0	110.8	I291 L360 L367 S368 V376 V379 P444	I291-Q364 HydrophobicContact CD1-CB 4.03Å; I291-Q364 HydrophobicContact CD1-CG 4.06Å; I291-Q364 HydrophobicContact CG2-CB 4.37Å; L360-Q364 WeakPolarHBondContact O-CB 3.49Å; L360-Q364 PolarHBondContact O-N 2.83Å; Q364-L367 PolarHBondContact O-N 3.41Å; Q364-S368 WeakPolarHBondContact O-CB 3.12Å; Q364-S368 PolarHBondContact O-N 2.81Å; Q364-V376 PolarHBondContact NE2-O 3.24Å; Q364-V379 HydrophobicContact CB-CG2 3.96Å; Q364-V379 HydrophobicContact CG-CG2 4.31Å; Q364-P444 HydrophobicContact CG-CB 4.44Å
365	Y	94.3	Very high	85.7	Confident	59 Å²	59	47 Å²	47	23%	0.231	27%	0.272	C	S	.	.	H	α-helix	trans	-60.7	-48.9	177.3	164.3	-102.1	0	0	0	111.9	T361 V362 E363 L367 S368 R445 F508 V512	T361-Y365 PolarHBondContact O-N 3.31Å; V362-Y365 WeakPolarHBondContact O-CB 3.4Å; V362-Y365 PolarHBondContact O-N 3.08Å; E363-Y365 VanDerWaalsContact C-N 3.3Å; E363-Y365 PolarHBondContact O-N 3Å; Y365-L367 VanDerWaalsContact C-N 3.3Å; Y365-L367 PolarHBondContact O-N 2.81Å; Y365-S368 PolarHBondContact O-N 3.31Å; Y365-S368 PolarHBondContact O-OG 3.11Å; Y365-R445 HydrophobicContact CD2-CB 4.36Å; Y365-R445 HydrophobicContact CE2-CB 4.49Å; Y365-F508 AromaticContact CD1-CZ 3.81Å; Y365-F508 HydrophobicContact CD1-CZ 3.81Å; Y365-F508 HydrophobicContact CD2-CE2 4.45Å; Y365-F508 AromaticContact CD2-CZ 3.81Å; Y365-F508 HydrophobicContact CD2-CZ 3.81Å; Y365-F508 HydrophobicContact CE1-CE1 4.07Å; Y365-F508 AromaticContact CE1-CZ 3.54Å; Y365-F508 HydrophobicContact CE1-CZ 3.54Å; Y365-F508 HydrophobicContact CE2-CE1 4.17Å; Y365-F508 AromaticContact CE2-CZ 3.54Å; Y365-F508 HydrophobicContact CE2-CZ 3.54Å; Y365-F508 HydrophobicContact CG-CE2 4.42Å; Y365-F508 AromaticContact CG-CZ 3.93Å; Y365-F508 HydrophobicContact CG-CZ 3.93Å; Y365-F508 AromaticContact CZ-CE1 3.75Å; Y365-F508 AromaticContact CZ-CZ 3.4Å; Y365-V512 HydrophobicContact CD1-CG2 3.95Å; Y365-V512 HydrophobicContact CE1-CG1 4.41Å; Y365-V512 HydrophobicContact CE1-CG2 4.05Å
366	L	93	Very high	85	Confident	52 Å²	52	48.7 Å²	48.7	27%	0.272	28%	0.282	S	S	.	.	H	α-helix	trans	-60.4	-40.2	-179.4	-67.2	175.8	0	0	0	112	V362 E363 V512 R516	V362-L366 HydrophobicContact CG1-CD1 3.99Å; V362-L366 HydrophobicContact CG1-CG 4.27Å; V362-L366 WeakPolarHBondContact O-CG 3.26Å; V362-L366 PolarHBondContact O-N 3.23Å; E363-L366 PolarHBondContact O-N 2.73Å; L366-V512 HydrophobicContact CD2-CG1 4.22Å; L366-R516 HydrophobicContact CD1-CB 3.92Å
367	L	90.6	Very high	84.7	Confident	70 Å²	70	50.2 Å²	50.2	37%	0.366	29%	0.29	S	S	.	.	H	α-helix	trans	-74.6	-27.3	178.4	-66.9	171.3	0	0	0	113.3	I291 E363 Q364 Y365 S369 S370 S371	I291-L367 HydrophobicContact CG1-CD1 4.49Å; E363-L367 WeakPolarHBondContact O-CB 3.33Å; E363-L367 VanDerWaalsContact O-CG 3.25Å; E363-L367 WeakPolarHBondContact O-CG 3.12Å; E363-L367 PolarHBondContact O-N 3.04Å; Q364-L367 PolarHBondContact O-N 3.41Å; Y365-L367 VanDerWaalsContact C-N 3.3Å; Y365-L367 PolarHBondContact O-N 2.81Å; L367-S369 PolarHBondContact O-N 3.35Å; L367-S370 PolarHBondContact O-N 3.38Å; L367-S371 PolarHBondContact O-N 3.25Å
368	S	87.2	Confident	84.5	Confident	28 Å²	28	50.7 Å²	50.7	20%	0.196	30%	0.295	C	S	.	.	H	α-helix	trans	-62.7	-24.7	-179.9	72.4	0	0	0	0	113.7	Q364 Y365 S370 S371	Q364-S368 WeakPolarHBondContact O-CB 3.12Å; Q364-S368 PolarHBondContact O-N 2.81Å; Y365-S368 PolarHBondContact O-N 3.31Å; Y365-S368 PolarHBondContact O-OG 3.11Å; S368-S370 PolarHBondContact O-N 3.15Å; S368-S371 CarbonylContact O-C 3.52Å; S368-S371 PolarHBondContact O-N 3.49Å
369	S	73.8	Confident	84.4	Confident	94 Å²	94	50.6 Å²	50.6	66%	0.657	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-23.1	174.9	-52.6	0	0	0	0	112.8	L367	L367-S369 PolarHBondContact O-N 3.35Å
370	S	67.1	Low	84.4	Confident	101 Å²	101	50.6 Å²	50.6	71%	0.706	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-19.9	-178.4	-56.6	0	0	0	0	113.7	L367 S368	L367-S370 PolarHBondContact O-N 3.38Å; S368-S370 PolarHBondContact O-N 3.15Å
371	S	64.4	Low	84.4	Confident	63 Å²	63	50.7 Å²	50.7	44%	0.441	30%	0.295	S	S	.	.			trans	-147.9	98.5	-176.9	-67.6	0	0	0	0	111.2	L367 S368 D373	L367-S371 PolarHBondContact O-N 3.25Å; S368-S371 CarbonylContact O-C 3.52Å; S368-S371 PolarHBondContact O-N 3.49Å; S371-D373 PolarHBondContact O-N 3.28Å
372	P	59.1	Low	84.4	Confident	118 Å²	118	50.7 Å²	50.7	77%	0.766	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.8	179.9	-21.8	34.2	0	0	0	114.7	N374	P372-N374 VanDerWaalsContact C-N 3.26Å; P372-N374 PolarHBondContact O-N 3.44Å
373	D	59.4	Low	84.5	Confident	163 Å²	163	50.7 Å²	50.7	87%	0.872	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-4.7	-174.6	-74	-24.1	0	0	0	114.6	S371 Q375	S371-D373 PolarHBondContact O-N 3.28Å; D373-Q375 PolarHBondContact O-N 3.07Å
374	N	62.9	Low	84.6	Confident	77 Å²	77	50 Å²	50	41%	0.412	29%	0.294	S	S	.	.	S	Bend	trans	-66	133.6	176.7	-86.9	-11	0	0	0	110.7	P372 V376	P372-N374 VanDerWaalsContact C-N 3.26Å; P372-N374 PolarHBondContact O-N 3.44Å; N374-V376 PolarHBondContact O-N 2.79Å
375	Q	75.5	Confident	84.8	Confident	109 Å²	109	51.8 Å²	51.8	51%	0.509	30%	0.301	S	S	.	.			trans	-51.5	128.5	171.5	-80.5	-176.8	40.2	0	0	109.5	D373 D377 A378	D373-Q375 PolarHBondContact O-N 3.07Å; Q375-D377 VanDerWaalsContact C-N 3.33Å; Q375-D377 PolarHBondContact O-N 3.27Å; Q375-A378 HydrophobicContact CB-CB 3.98Å; Q375-A378 VanDerWaalsContact O-CB 3.29Å; Q375-A378 WeakPolarHBondContact O-CB 3.13Å; Q375-A378 PolarHBondContact O-N 3.36Å
376	V	84.9	Confident	85	Confident	56 Å²	56	49 Å²	49	34%	0.339	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-33.5	-160.9	176.2	0	0	0	0	113	Q364 N374 E442 T443 T447	Q364-V376 PolarHBondContact NE2-O 3.24Å; N374-V376 PolarHBondContact O-N 2.79Å; V376-E442 WeakPolarHBondContact CG1-O 3.47Å; V376-T443 VanDerWaalsContact CG1-C 3.47Å; V376-T447 PolarHBondContact O-OG1 3.48Å
377	D	91.1	Very high	85.2	Confident	31 Å²	31	46.7 Å²	46.7	17%	0.166	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	15.5	-179.7	66.7	-27.5	0	0	0	112.6	Q375 V379 A380 H381 R409 P441	Q375-D377 VanDerWaalsContact C-N 3.33Å; Q375-D377 PolarHBondContact O-N 3.27Å; D377-V379 PolarHBondContact O-N 2.81Å; D377-A380 WeakPolarHBondContact O-CA 3.34Å; D377-A380 WeakPolarHBondContact O-CB 3.46Å; D377-A380 PolarHBondContact O-N 2.8Å; D377-H381 WeakPolarHBondContact O-CB 3.36Å; D377-H381 PolarHBondContact O-N 3.06Å; D377-R409 IonicContact OD1-NH2 3.35Å; D377-R409 PolarHBondContact OD1-NH2 3.08Å; D377-R409 IonicContact OD2-NH2 3.24Å; D377-P441 HydrophobicContact CB-CG 3.91Å
378	A	93.7	Very high	85.6	Confident	15 Å²	15	43.3 Å²	43.3	12%	0.124	26%	0.26	C	S	.	.	H	α-helix	trans	-52.4	-48.1	-166.4	0	0	0	0	0	113.9	I287 Q375 A382	I287-A378 HydrophobicContact CD1-CB 3.76Å; Q375-A378 HydrophobicContact CB-CB 3.98Å; Q375-A378 VanDerWaalsContact O-CB 3.29Å; Q375-A378 WeakPolarHBondContact O-CB 3.13Å; Q375-A378 PolarHBondContact O-N 3.36Å; A378-A382 VanDerWaalsContact O-CB 3.23Å; A378-A382 WeakPolarHBondContact O-CB 3.26Å; A378-A382 PolarHBondContact O-N 3.29Å
379	V	96.8	Very high	86	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.3	-44.5	176.4	171.2	0	0	0	0	111.3	I287 I291 L360 T361 Q364 D377 L383	I287-V379 HydrophobicContact CD1-CG2 4.32Å; I287-V379 HydrophobicContact CG2-CG2 3.88Å; I291-V379 HydrophobicContact CD1-CG2 3.6Å; L360-V379 HydrophobicContact CB-CG1 3.75Å; L360-V379 HydrophobicContact CB-CG2 4.18Å; T361-V379 HydrophobicContact CG2-CG1 3.81Å; Q364-V379 HydrophobicContact CB-CG2 3.96Å; Q364-V379 HydrophobicContact CG-CG2 4.31Å; D377-V379 PolarHBondContact O-N 2.81Å; V379-L383 HydrophobicContact CG1-CD1 3.83Å; V379-L383 HydrophobicContact CG1-CG 4.27Å; V379-L383 WeakPolarHBondContact O-CB 3.37Å; V379-L383 WeakPolarHBondContact O-CG 3.44Å; V379-L383 PolarHBondContact O-N 2.88Å
380	A	97.7	Very high	87.2	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-49.6	-179.1	0	0	0	0	0	110.7	D377 L383 G384 L407 P441 T447 W450	D377-A380 WeakPolarHBondContact O-CA 3.34Å; D377-A380 WeakPolarHBondContact O-CB 3.46Å; D377-A380 PolarHBondContact O-N 2.8Å; A380-L383 PolarHBondContact O-N 3.45Å; A380-G384 PolarHBondContact O-N 2.83Å; A380-L407 VanDerWaalsContact C-CD1 3.43Å; A380-L407 HydrophobicContact CB-CD1 3.8Å; A380-L407 HydrophobicContact CB-CD2 4.37Å; A380-L407 WeakPolarHBondContact O-CD1 3.32Å; A380-P441 HydrophobicContact CB-CG 3.93Å; A380-T447 HydrophobicContact CB-CG2 4.06Å; A380-W450 HydrophobicContact CB-CD2 4.44Å; A380-W450 HydrophobicContact CB-CE3 3.83Å; A380-W450 HydrophobicContact CB-CH2 4.01Å; A380-W450 HydrophobicContact CB-CZ3 3.59Å
381	H	97.4	Very high	88.6	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.009	19%	0.192	C	C	.	.	H	α-helix	trans	-60.4	-49.6	179.5	-174.5	-98.1	0	0	0	111.6	E283 D377 L383 G384 R385 L407 R409 E412	E283-H381 IonicContact OE1-CE1 3.44Å; E283-H381 IonicContact OE1-CG 3.3Å; E283-H381 IonicContact OE1-ND1 3.89Å; E283-H381 PolarHBondContact OE1-ND1 3.15Å; E283-H381 IonicContact OE2-CE1 3.67Å; E283-H381 IonicContact OE2-ND1 2.71Å; E283-H381 PolarHBondContact OE2-ND1 3.3Å; D377-H381 WeakPolarHBondContact O-CB 3.36Å; D377-H381 PolarHBondContact O-N 3.06Å; H381-L383 VanDerWaalsContact C-N 3.35Å; H381-L383 PolarHBondContact O-N 3.3Å; H381-G384 PolarHBondContact O-N 3.24Å; H381-R385 WeakPolarHBondContact CE1-CD 3.28Å; H381-R385 PolarHBondContact O-N 2.97Å; H381-L407 PolarHBondContact CD2-O 2.74Å; H381-R409 PolarHBondContact CD2-NE 2.9Å; H381-R409 WeakPolarHBondContact NE2-CD 3.46Å; H381-R409 WeakPolarHBondContact NE2-CG 3.25Å; H381-R409 PolarHBondContact NE2-NE 3.43Å; H381-E412 IonicContact CE1-OE1 3.36Å; H381-E412 IonicContact CE1-OE2 3.6Å; H381-E412 IonicContact NE2-OE1 3.54Å; H381-E412 IonicContact NE2-OE2 3.74Å; H381-E412 PolarHBondContact NE2-OE2 3.47Å; H381-E412 VanDerWaalsContact NE2-OE2 3.08Å
382	A	97.9	Very high	90	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.5	-44.1	176.9	0	0	0	0	0	112.2	E283 I287 A378 R385 F386	E283-A382 HydrophobicContact CG-CB 3.82Å; I287-A382 HydrophobicContact CD1-CB 4.48Å; I287-A382 HydrophobicContact CG1-CB 3.58Å; A378-A382 VanDerWaalsContact O-CB 3.23Å; A378-A382 WeakPolarHBondContact O-CB 3.26Å; A378-A382 PolarHBondContact O-N 3.29Å; A382-R385 PolarHBondContact O-N 2.99Å; A382-F386 WeakPolarHBondContact O-CB 3.34Å; A382-F386 PolarHBondContact O-N 3.39Å
383	L	98.2	Very high	91.7	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-64.3	-44.1	176.2	-71	176.5	0	0	0	111.9	F284 F357 V379 A380 H381 R385 F386 I387 F400	F284-L383 HydrophobicContact CD2-CD2 4.49Å; F284-L383 HydrophobicContact CE2-CD2 3.96Å; F357-L383 HydrophobicContact CB-CD1 3.78Å; F357-L383 HydrophobicContact CD1-CD1 4.03Å; F357-L383 HydrophobicContact CD1-CD2 3.42Å; F357-L383 VanDerWaalsContact CD1-CD2 3.42Å; F357-L383 HydrophobicContact CD1-CG 4.39Å; F357-L383 HydrophobicContact CE1-CD2 3.62Å; F357-L383 HydrophobicContact CG-CD1 3.87Å; F357-L383 HydrophobicContact CG-CD2 4.07Å; F357-L383 HydrophobicContact CZ-CD2 4.39Å; V379-L383 HydrophobicContact CG1-CD1 3.83Å; V379-L383 HydrophobicContact CG1-CG 4.27Å; V379-L383 WeakPolarHBondContact O-CB 3.37Å; V379-L383 WeakPolarHBondContact O-CG 3.44Å; V379-L383 PolarHBondContact O-N 2.88Å; A380-L383 PolarHBondContact O-N 3.45Å; H381-L383 VanDerWaalsContact C-N 3.35Å; H381-L383 PolarHBondContact O-N 3.3Å; L383-R385 PolarHBondContact O-N 2.95Å; L383-F386 PolarHBondContact O-N 2.98Å; L383-I387 HydrophobicContact CD2-CG1 4.27Å; L383-I387 WeakPolarHBondContact O-CB 3.47Å; L383-I387 PolarHBondContact O-N 3.16Å; L383-F400 HydrophobicContact CB-CZ 4.47Å
384	G	97.9	Very high	93.4	Very high	9 Å²	9	18.6 Å²	18.6	9%	0.093	10%	0.098	C	C	.	.	H	α-helix	trans	-60.5	-29.7	177.2	0	0	0	0	0	113	A380 H381 P388	A380-G384 PolarHBondContact O-N 2.83Å; H381-G384 PolarHBondContact O-N 3.24Å; G384-P388 VanDerWaalsContact O-CD 3.29Å; G384-P388 WeakPolarHBondContact O-CD 3.5Å; G384-P388 VanDerWaalsContact O-CG 3.26Å; G384-P388 WeakPolarHBondContact O-CG 3.37Å
385	R	98	Very high	94.9	Very high	39 Å²	39	17.3 Å²	17.3	15%	0.147	9%	0.088	C	C	.	.	H	α-helix	trans	-86.1	-47.4	174.3	-67.8	-179.8	71.9	-144	13.2	112.5	A280 E283 H381 A382 L383 R389 E412	A280-R385 HydrophobicContact CB-CB 3.8Å; E283-R385 WeakPolarHBondContact OE2-CD 3.41Å; E283-R385 IonicContact OE2-CZ 3.26Å; E283-R385 IonicContact OE2-NE 3.45Å; E283-R385 IonicContact OE2-NH1 2.8Å; E283-R385 PolarHBondContact OE2-NH1 2.94Å; H381-R385 WeakPolarHBondContact CE1-CD 3.28Å; H381-R385 PolarHBondContact O-N 2.97Å; A382-R385 PolarHBondContact O-N 2.99Å; L383-R385 PolarHBondContact O-N 2.95Å; R385-R389 WeakPolarHBondContact O-CD 3.48Å; R385-R389 VanDerWaalsContact O-CG 3.29Å; R385-R389 WeakPolarHBondContact O-CG 3.34Å; R385-R389 PolarHBondContact O-NH1 3.26Å; R385-E412 WeakPolarHBondContact CD-OE1 3.49Å; R385-E412 IonicContact CZ-OE1 3.96Å; R385-E412 IonicContact NE-OE1 2.86Å; R385-E412 PolarHBondContact NE-OE1 3.2Å; R385-E412 IonicContact NH2-OE1 2.68Å
386	F	98.4	Very high	95.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-71.1	-52.4	-170.9	-178	-93.3	0	0	0	113.4	L262 V267 L281 F284 A382 L383 R389 F390	L262-F386 HydrophobicContact CD1-CE1 3.81Å; L262-F386 HydrophobicContact CD2-CD1 4.48Å; L262-F386 HydrophobicContact CD2-CE1 3.62Å; L262-F386 HydrophobicContact CD2-CZ 4.33Å; L262-F386 HydrophobicContact CG-CE1 3.7Å; L262-F386 HydrophobicContact CG-CZ 4.14Å; V267-F386 HydrophobicContact CG2-CE2 4.3Å; V267-F386 HydrophobicContact CG2-CZ 3.93Å; L281-F386 HydrophobicContact CB-CE2 4.43Å; L281-F386 HydrophobicContact CD1-CD2 4.49Å; L281-F386 HydrophobicContact CD1-CE2 3.62Å; L281-F386 HydrophobicContact CD1-CZ 4.46Å; F284-F386 HydrophobicContact CB-CB 3.97Å; F284-F386 HydrophobicContact CB-CD2 3.45Å; F284-F386 VanDerWaalsContact CB-CD2 3.45Å; F284-F386 HydrophobicContact CB-CE2 4.08Å; F284-F386 HydrophobicContact CB-CG 3.71Å; F284-F386 AromaticContact CD1-CD1 3.92Å; F284-F386 HydrophobicContact CD1-CD1 3.92Å; F284-F386 AromaticContact CD1-CD2 3.74Å; F284-F386 HydrophobicContact CD1-CD2 3.74Å; F284-F386 AromaticContact CD1-CE1 3.8Å; F284-F386 HydrophobicContact CD1-CE1 3.8Å; F284-F386 AromaticContact CD1-CE2 3.6Å; F284-F386 HydrophobicContact CD1-CE2 3.6Å; F284-F386 AromaticContact CD1-CG 3.91Å; F284-F386 HydrophobicContact CD1-CG 3.91Å; F284-F386 AromaticContact CD1-CZ 3.63Å; F284-F386 HydrophobicContact CD1-CZ 3.63Å; F284-F386 HydrophobicContact CD2-CB 4.26Å; F284-F386 HydrophobicContact CD2-CD1 4.14Å; F284-F386 HydrophobicContact CD2-CG 4.04Å; F284-F386 HydrophobicContact CE1-CD1 4.11Å; F284-F386 AromaticContact CE1-CE1 3.78Å; F284-F386 HydrophobicContact CE1-CE1 3.78Å; F284-F386 HydrophobicContact CE1-CE2 4.33Å; F284-F386 AromaticContact CE1-CZ 3.9Å; F284-F386 HydrophobicContact CE1-CZ 3.9Å; F284-F386 HydrophobicContact CE2-CD1 4.35Å; F284-F386 HydrophobicContact CG-CB 4.13Å; F284-F386 AromaticContact CG-CD1 3.93Å; F284-F386 HydrophobicContact CG-CD1 3.93Å; F284-F386 AromaticContact CG-CD2 3.66Å; F284-F386 HydrophobicContact CG-CD2 3.66Å; F284-F386 HydrophobicContact CG-CE1 4.3Å; F284-F386 HydrophobicContact CG-CE2 4.03Å; F284-F386 AromaticContact CG-CG 3.61Å; F284-F386 HydrophobicContact CG-CG 3.61Å; F284-F386 HydrophobicContact CG-CZ 4.34Å; F284-F386 HydrophobicContact CZ-CD1 4.33Å; F284-F386 HydrophobicContact CZ-CE1 4.29Å; A382-F386 WeakPolarHBondContact O-CB 3.34Å; A382-F386 PolarHBondContact O-N 3.39Å; L383-F386 PolarHBondContact O-N 2.98Å; F386-R389 PolarHBondContact O-N 3Å; F386-F390 HydrophobicContact CD1-CD2 4.48Å; F386-F390 AromaticContact CD2-CD2 3.43Å; F386-F390 HydrophobicContact CD2-CD2 3.43Å; F386-F390 VanDerWaalsContact CD2-CD2 3.43Å; F386-F390 AromaticContact CD2-CE2 3.78Å; F386-F390 HydrophobicContact CD2-CE2 3.78Å; F386-F390 HydrophobicContact CD2-CG 4.38Å; F386-F390 HydrophobicContact CE1-CB 4.13Å; F386-F390 HydrophobicContact CE1-CD2 4.38Å; F386-F390 HydrophobicContact CE2-CB 4.32Å; F386-F390 AromaticContact CE2-CD2 3.32Å; F386-F390 HydrophobicContact CE2-CD2 3.32Å; F386-F390 AromaticContact CE2-CE2 3.76Å; F386-F390 HydrophobicContact CE2-CE2 3.76Å; F386-F390 AromaticContact CE2-CG 3.88Å; F386-F390 HydrophobicContact CE2-CG 3.88Å; F386-F390 HydrophobicContact CG-CD2 4.04Å; F386-F390 HydrophobicContact CZ-CB 3.94Å; F386-F390 AromaticContact CZ-CD2 3.84Å; F386-F390 HydrophobicContact CZ-CD2 3.84Å; F386-F390 AromaticContact CZ-CG 3.98Å; F386-F390 HydrophobicContact CZ-CG 3.98Å; F386-F390 WeakPolarHBondContact O-CD2 3.34Å; F386-F390 PolarHBondContact O-N 3.09Å; F386-F390 VanDerWaalsContact O-N 3.08Å
387	I	98.1	Very high	96.4	Very high	4 Å²	4	11 Å²	11	2%	0.021	6%	0.058	C	C	.	.	H	α-helix	trans	-61.4	-45.2	-171.3	-64.8	-62	0	0	0	112.5	L262 F357 L383 R389 F390 F391 F400	L262-I387 HydrophobicContact CD1-CD1 4.42Å; F357-I387 HydrophobicContact CE1-CD1 3.8Å; F357-I387 HydrophobicContact CE1-CG1 4.24Å; F357-I387 HydrophobicContact CE2-CD1 4.39Å; F357-I387 HydrophobicContact CE2-CG1 4.36Å; F357-I387 HydrophobicContact CZ-CD1 3.38Å; F357-I387 HydrophobicContact CZ-CG1 3.74Å; L383-I387 HydrophobicContact CD2-CG1 4.27Å; L383-I387 WeakPolarHBondContact O-CB 3.47Å; L383-I387 PolarHBondContact O-N 3.16Å; I387-R389 PolarHBondContact O-N 3.26Å; I387-R389 VanDerWaalsContact O-N 3.14Å; I387-F390 PolarHBondContact O-N 2.84Å; I387-F391 HydrophobicContact CG2-CB 3.97Å; I387-F391 VanDerWaalsContact O-CB 3.22Å; I387-F391 WeakPolarHBondContact O-CB 3.32Å; I387-F391 PolarHBondContact O-N 3.32Å; I387-F400 HydrophobicContact CB-CD1 3.75Å; I387-F400 HydrophobicContact CB-CE1 3.76Å; I387-F400 HydrophobicContact CB-CG 4.32Å; I387-F400 HydrophobicContact CB-CZ 4.35Å; I387-F400 HydrophobicContact CG1-CE1 4.16Å; I387-F400 HydrophobicContact CG1-CZ 4.36Å; I387-F400 HydrophobicContact CG2-CB 4.11Å; I387-F400 HydrophobicContact CG2-CD1 3.63Å; I387-F400 HydrophobicContact CG2-CD2 4.11Å; I387-F400 HydrophobicContact CG2-CE1 4Å; I387-F400 HydrophobicContact CG2-CE2 4.45Å; I387-F400 HydrophobicContact CG2-CG 3.67Å; I387-F400 HydrophobicContact CG2-CZ 4.4Å
388	P	97.5	Very high	96.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-56.7	-30.1	174.8	-31.6	41.3	0	0	0	114.3	G384 F400 A401 P416 R419	G384-P388 VanDerWaalsContact O-CD 3.29Å; G384-P388 WeakPolarHBondContact O-CD 3.5Å; G384-P388 VanDerWaalsContact O-CG 3.26Å; G384-P388 WeakPolarHBondContact O-CG 3.37Å; P388-F400 HydrophobicContact CG-CD1 4.22Å; P388-A401 HydrophobicContact CB-CB 3.85Å; P388-A401 HydrophobicContact CG-CB 3.64Å; P388-P416 HydrophobicContact CB-CG 4.39Å; P388-P416 WeakPolarHBondContact O-CB 3.19Å; P388-P416 WeakPolarHBondContact O-CG 3.4Å; P388-R419 PolarHBondContact O-NH1 2.73Å
389	R	97.4	Very high	96.8	Very high	11 Å²	11	10.3 Å²	10.3	4%	0.042	5%	0.051	C	C	.	.	H	α-helix	trans	-91.3	-27.4	-171.3	-65.7	173.2	175.9	62.8	3.6	113.2	P276 R385 F386 I387 S413 P416 R419	P276-R389 PolarHBondContact O-NE 3.42Å; R385-R389 WeakPolarHBondContact O-CD 3.48Å; R385-R389 VanDerWaalsContact O-CG 3.29Å; R385-R389 WeakPolarHBondContact O-CG 3.34Å; R385-R389 PolarHBondContact O-NH1 3.26Å; F386-R389 PolarHBondContact O-N 3Å; I387-R389 PolarHBondContact O-N 3.26Å; I387-R389 VanDerWaalsContact O-N 3.14Å; R389-S413 PolarHBondContact NH2-O 2.71Å; R389-P416 HydrophobicContact CG-CB 3.88Å; R389-R419 PolarHBondContact O-NH1 3.22Å
390	F	97.1	Very high	96.8	Very high	1 Å²	1	11 Å²	11	0%	0.004	5%	0.054	C	C	.	.	H	α-helix	trans	-116.8	-35.2	-174.9	-66.3	-77.2	0	0	0	114.7	D266 V267 R270 I273 A277 L281 F386 I387 S392	D266-F390 WeakPolarHBondContact CB-O 3.36Å; V267-F390 HydrophobicContact CB-CD1 4.21Å; V267-F390 HydrophobicContact CG1-CD1 4.27Å; V267-F390 HydrophobicContact CG1-CE1 4.08Å; V267-F390 HydrophobicContact CG2-CB 4.48Å; V267-F390 HydrophobicContact CG2-CD1 3.86Å; V267-F390 HydrophobicContact CG2-CE1 4.33Å; V267-F390 HydrophobicContact CG2-CG 4.19Å; R270-F390 HydrophobicContact CG-CD1 3.81Å; R270-F390 HydrophobicContact CG-CE1 3.96Å; I273-F390 HydrophobicContact CD1-CE1 3.94Å; I273-F390 HydrophobicContact CG1-CE1 4.07Å; I273-F390 HydrophobicContact CG2-CE1 4.11Å; I273-F390 HydrophobicContact CG2-CZ 3.85Å; A277-F390 HydrophobicContact CB-CZ 4.35Å; A277-F390 WeakPolarHBondContact O-CE2 3.45Å; A277-F390 WeakPolarHBondContact O-CZ 3.07Å; L281-F390 HydrophobicContact CB-CE2 3.87Å; L281-F390 HydrophobicContact CB-CZ 3.76Å; L281-F390 HydrophobicContact CD2-CZ 4.36Å; L281-F390 HydrophobicContact CG-CZ 4.49Å; F386-F390 HydrophobicContact CD1-CD2 4.48Å; F386-F390 AromaticContact CD2-CD2 3.43Å; F386-F390 HydrophobicContact CD2-CD2 3.43Å; F386-F390 VanDerWaalsContact CD2-CD2 3.43Å; F386-F390 AromaticContact CD2-CE2 3.78Å; F386-F390 HydrophobicContact CD2-CE2 3.78Å; F386-F390 HydrophobicContact CD2-CG 4.38Å; F386-F390 HydrophobicContact CE1-CB 4.13Å; F386-F390 HydrophobicContact CE1-CD2 4.38Å; F386-F390 HydrophobicContact CE2-CB 4.32Å; F386-F390 AromaticContact CE2-CD2 3.32Å; F386-F390 HydrophobicContact CE2-CD2 3.32Å; F386-F390 AromaticContact CE2-CE2 3.76Å; F386-F390 HydrophobicContact CE2-CE2 3.76Å; F386-F390 AromaticContact CE2-CG 3.88Å; F386-F390 HydrophobicContact CE2-CG 3.88Å; F386-F390 HydrophobicContact CG-CD2 4.04Å; F386-F390 HydrophobicContact CZ-CB 3.94Å; F386-F390 AromaticContact CZ-CD2 3.84Å; F386-F390 HydrophobicContact CZ-CD2 3.84Å; F386-F390 AromaticContact CZ-CG 3.98Å; F386-F390 HydrophobicContact CZ-CG 3.98Å; F386-F390 WeakPolarHBondContact O-CD2 3.34Å; F386-F390 PolarHBondContact O-N 3.09Å; F386-F390 VanDerWaalsContact O-N 3.08Å; I387-F390 PolarHBondContact O-N 2.84Å; F390-S392 PolarHBondContact O-N 3.44Å; F390-S392 VanDerWaalsContact O-N 3.14Å
391	F	97.1	Very high	96.8	Very high	18 Å²	18	11 Å²	11	8%	0.079	5%	0.054	C	C	.	.			trans	-57.9	123.1	-172.1	-176.2	-119.3	0	0	0	111.7	D266 Y349 P350 L353 I387 C393 C396 A397 R419	D266-F391 WeakPolarHBondContact OD2-CA 3.31Å; D266-F391 WeakPolarHBondContact OD2-CD2 3.26Å; Y349-F391 HydrophobicContact CD1-CE2 4.15Å; Y349-F391 HydrophobicContact CE1-CD2 4.15Å; Y349-F391 AromaticContact CE1-CE2 3.57Å; Y349-F391 HydrophobicContact CE1-CE2 3.57Å; P350-F391 HydrophobicContact CG-CZ 4.3Å; L353-F391 HydrophobicContact CD1-CD2 3.63Å; L353-F391 HydrophobicContact CD1-CE2 3.42Å; L353-F391 VanDerWaalsContact CD1-CE2 3.42Å; L353-F391 HydrophobicContact CD1-CZ 4.39Å; I387-F391 HydrophobicContact CG2-CB 3.97Å; I387-F391 VanDerWaalsContact O-CB 3.22Å; I387-F391 WeakPolarHBondContact O-CB 3.32Å; I387-F391 PolarHBondContact O-N 3.32Å; F391-C393 VanDerWaalsContact C-N 3.29Å; F391-C393 HydrophobicContact CD1-CB 4.09Å; F391-C393 HydrophobicContact CE1-CB 3.67Å; F391-C393 HydrophobicContact CZ-CB 4.37Å; F391-C393 PolarHBondContact O-N 2.97Å; F391-C396 HydrophobicContact CD1-CB 3.97Å; F391-C396 HydrophobicContact CE1-CB 3.6Å; F391-A397 HydrophobicContact CB-CB 4.35Å; F391-R419 VanDerWaalsContact O-CZ 3.27Å; F391-R419 PolarHBondContact O-NH1 2.82Å; F391-R419 VanDerWaalsContact O-NH1 3.12Å; F391-R419 PolarHBondContact O-NH2 3.11Å
392	S	94.1	Very high	96.8	Very high	7 Å²	7	11.6 Å²	11.6	5%	0.049	6%	0.058	C	C	.	.	S	Bend	trans	-65.1	-23.9	-163.7	43.3	0	0	0	0	115.7	R55 G105 V106 D266 F390 T394	R55-S392 VanDerWaalsContact CD-OG 3.26Å; R55-S392 WeakPolarHBondContact CD-OG 3.45Å; R55-S392 PolarHBondContact NE-OG 2.93Å; G105-S392 VanDerWaalsContact CA-O 3.31Å; G105-S392 WeakPolarHBondContact CA-O 3.16Å; V106-S392 PolarHBondContact N-O 3.24Å; D266-S392 WeakPolarHBondContact OD1-CB 3.4Å; D266-S392 PolarHBondContact OD1-OG 2.78Å; D266-S392 PolarHBondContact OD2-N 2.87Å; D266-S392 VanDerWaalsContact OD2-N 3.12Å; D266-S392 PolarHBondContact OD2-OG 3.38Å; F390-S392 PolarHBondContact O-N 3.44Å; F390-S392 VanDerWaalsContact O-N 3.14Å; S392-T394 PolarHBondContact O-N 3.2Å
393	C	95.4	Very high	96.7	Very high	1 Å²	1	12 Å²	12	1%	0.007	6%	0.06	C	C	.	.			trans	-80.7	100.3	169.5	179.5	0	0	0	0	109.7	C58 H60 F391 Y395 C396 A397	C58-C393 VanDerWaalsContact SG-CB 3.53Å; C58-C393 PolarHBondContact SG-SG 2.95Å; H60-C393 VanDerWaalsContact CB-SG 3.58Å; F391-C393 VanDerWaalsContact C-N 3.29Å; F391-C393 HydrophobicContact CD1-CB 4.09Å; F391-C393 HydrophobicContact CE1-CB 3.67Å; F391-C393 HydrophobicContact CZ-CB 4.37Å; F391-C393 PolarHBondContact O-N 2.97Å; C393-Y395 VanDerWaalsContact C-N 3.31Å; C393-Y395 PolarHBondContact O-N 3.42Å; C393-C396 HydrophobicContact CB-CB 3.9Å; C393-C396 PolarHBondContact O-N 2.96Å; C393-C396 VanDerWaalsContact O-N 3.16Å; C393-C396 PolarHBondContact SG-N 3.04Å; C393-C396 VanDerWaalsContact SG-N 3.36Å; C393-C396 PolarHBondContact SG-SG 3.28Å; C393-A397 VanDerWaalsContact O-CB 3.32Å; C393-A397 WeakPolarHBondContact O-CB 3.09Å; C393-A397 PolarHBondContact O-N 3.16Å
394	T	94.1	Very high	96.7	Very high	10 Å²	10	12.2 Å²	12.2	6%	0.061	6%	0.061	C	C	.	.	H	α-helix	trans	-57.7	-42.4	179.7	48.7	0	0	0	0	111.8	S392 C396 A397 F398 R419 V420	S392-T394 PolarHBondContact O-N 3.2Å; T394-C396 PolarHBondContact O-N 3.27Å; T394-A397 PolarHBondContact O-N 2.96Å; T394-F398 WeakPolarHBondContact O-CD2 3.41Å; T394-F398 PolarHBondContact O-N 3.34Å; T394-R419 HydrophobicContact CG2-CG 4.29Å; T394-V420 HydrophobicContact CG2-CB 4.39Å; T394-V420 WeakPolarHBondContact CG2-O 3.32Å
395	Y	94.9	Very high	96.7	Very high	50 Å²	50	12.1 Å²	12.1	20%	0.196	6%	0.059	C	C	.	.	H	α-helix	trans	-55.1	-50.4	174.2	173.3	-97.2	0	0	0	112.5	H60 C393 H399 E426	H60-Y395 HydrophobicContact CB-CD1 3.8Å; H60-Y395 HydrophobicContact CB-CG 4.16Å; H60-Y395 AromaticContact CE1-CD2 3.86Å; H60-Y395 AromaticContact CE1-CG 3.76Å; H60-Y395 AromaticContact CG-CD1 3.82Å; H60-Y395 AromaticContact CG-CG 3.72Å; H60-Y395 AromaticContact ND1-CD1 3.56Å; H60-Y395 AromaticContact ND1-CD2 3.77Å; H60-Y395 AromaticContact ND1-CG 3.35Å; H60-Y395 VanDerWaalsContact ND1-CG 3.35Å; C393-Y395 VanDerWaalsContact C-N 3.31Å; C393-Y395 PolarHBondContact O-N 3.42Å; Y395-H399 AromaticContact CE1-CD2 3.69Å; Y395-H399 AromaticContact CE2-CD2 3.54Å; Y395-H399 AromaticContact CE2-NE2 3.36Å; Y395-H399 WeakPolarHBondContact CE2-NE2 3.3Å; Y395-H399 AromaticContact CZ-CD2 3.35Å; Y395-H399 AromaticContact CZ-NE2 3.29Å; Y395-H399 VanDerWaalsContact CZ-NE2 3.29Å; Y395-H399 PolarHBondContact O-CD2 3Å; Y395-H399 PolarHBondContact O-N 3.38Å; Y395-H399 VanDerWaalsContact O-N 3.15Å; Y395-H399 PolarHBondContact OH-NE2 2.94Å; Y395-H399 VanDerWaalsContact OH-NE2 3.16Å; Y395-E426 HydrophobicContact CD2-CB 4.39Å; Y395-E426 HydrophobicContact CE2-CB 4.39Å
396	C	96	Very high	96.6	Very high	32 Å²	32	12.4 Å²	12.4	22%	0.216	6%	0.064	C	C	.	.	H	α-helix	trans	-67.5	-38.1	177.8	-71.4	0	0	0	0	112.1	F391 C393 T394 H399 F400	F391-C396 HydrophobicContact CD1-CB 3.97Å; F391-C396 HydrophobicContact CE1-CB 3.6Å; C393-C396 HydrophobicContact CB-CB 3.9Å; C393-C396 PolarHBondContact O-N 2.96Å; C393-C396 VanDerWaalsContact O-N 3.16Å; C393-C396 PolarHBondContact SG-N 3.04Å; C393-C396 VanDerWaalsContact SG-N 3.36Å; C393-C396 PolarHBondContact SG-SG 3.28Å; T394-C396 PolarHBondContact O-N 3.27Å; C396-H399 PolarHBondContact O-N 3.49Å; C396-F400 WeakPolarHBondContact O-CB 3.34Å; C396-F400 PolarHBondContact O-N 3.4Å
397	A	96.9	Very high	96.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.5	-42.4	179.8	0	0	0	0	0	111.9	F391 C393 T394 F400 A401	F391-A397 HydrophobicContact CB-CB 4.35Å; C393-A397 VanDerWaalsContact O-CB 3.32Å; C393-A397 WeakPolarHBondContact O-CB 3.09Å; C393-A397 PolarHBondContact O-N 3.16Å; T394-A397 PolarHBondContact O-N 2.96Å; A397-F400 WeakPolarHBondContact O-CB 3.34Å; A397-F400 PolarHBondContact O-N 3.19Å; A397-A401 PolarHBondContact O-N 3.24Å
398	F	96.6	Very high	96.4	Very high	8 Å²	8	14.6 Å²	14.6	4%	0.035	8%	0.081	C	C	.	.	H	α-helix	trans	-70.6	-38.8	176.9	-84	-117.4	0	0	0	112.1	T394 F400 A401 L402 L415 P416 T421 P422 F427	T394-F398 WeakPolarHBondContact O-CD2 3.41Å; T394-F398 PolarHBondContact O-N 3.34Å; F398-F400 VanDerWaalsContact C-N 3.29Å; F398-F400 PolarHBondContact O-N 3.45Å; F398-A401 WeakPolarHBondContact O-CB 3.48Å; F398-A401 PolarHBondContact O-N 3.01Å; F398-L402 PolarHBondContact O-N 2.83Å; F398-L415 HydrophobicContact CD1-CD2 3.99Å; F398-L415 HydrophobicContact CE1-CD2 4.43Å; F398-P416 HydrophobicContact CD2-CG 4.04Å; F398-P416 HydrophobicContact CE1-CG 4.47Å; F398-P416 HydrophobicContact CE2-CG 3.44Å; F398-P416 VanDerWaalsContact CE2-CG 3.44Å; F398-P416 HydrophobicContact CZ-CG 3.69Å; F398-T421 HydrophobicContact CE1-CG2 4.1Å; F398-T421 HydrophobicContact CZ-CG2 3.97Å; F398-P422 HydrophobicContact CB-CG 4.14Å; F398-P422 HydrophobicContact CD1-CG 4.33Å; F398-P422 HydrophobicContact CD2-CG 4.13Å; F398-P422 HydrophobicContact CG-CG 3.94Å; F398-F427 HydrophobicContact CB-CD1 4.17Å; F398-F427 HydrophobicContact CB-CD2 4.22Å; F398-F427 HydrophobicContact CB-CE1 3.92Å; F398-F427 HydrophobicContact CB-CE2 3.97Å; F398-F427 HydrophobicContact CB-CG 4.32Å; F398-F427 HydrophobicContact CB-CZ 3.81Å; F398-F427 HydrophobicContact CD1-CD1 4.01Å; F398-F427 AromaticContact CD1-CE1 3.67Å; F398-F427 HydrophobicContact CD1-CE1 3.67Å; F398-F427 HydrophobicContact CD1-CZ 4.29Å; F398-F427 HydrophobicContact CG-CE1 4.29Å
399	H	96.1	Very high	96.2	Very high	24 Å²	24	18.8 Å²	18.8	11%	0.111	10%	0.096	C	C	.	.	H	α-helix	trans	-65	-32.9	170.9	-91.3	-57.2	0	0	0	113.3	Y395 C396 N403 F427 R461	Y395-H399 AromaticContact CE1-CD2 3.69Å; Y395-H399 AromaticContact CE2-CD2 3.54Å; Y395-H399 AromaticContact CE2-NE2 3.36Å; Y395-H399 WeakPolarHBondContact CE2-NE2 3.3Å; Y395-H399 AromaticContact CZ-CD2 3.35Å; Y395-H399 AromaticContact CZ-NE2 3.29Å; Y395-H399 VanDerWaalsContact CZ-NE2 3.29Å; Y395-H399 PolarHBondContact O-CD2 3Å; Y395-H399 PolarHBondContact O-N 3.38Å; Y395-H399 VanDerWaalsContact O-N 3.15Å; Y395-H399 PolarHBondContact OH-NE2 2.94Å; Y395-H399 VanDerWaalsContact OH-NE2 3.16Å; C396-H399 PolarHBondContact O-N 3.49Å; H399-N403 PolarHBondContact O-N 3.48Å; H399-N403 VanDerWaalsContact O-N 3.16Å; H399-N403 PolarHBondContact O-ND2 2.97Å; H399-F427 AromaticContact CE1-CD2 3.75Å; H399-F427 AromaticContact ND1-CD2 3.93Å; H399-F427 AromaticContact ND1-CE2 3.91Å; H399-F427 AromaticContact NE2-CD2 3.82Å; H399-R461 PolarHBondContact ND1-NH1 3.44Å
400	F	97.3	Very high	96.1	Very high	13 Å²	13	24.8 Å²	24.8	6%	0.057	14%	0.137	C	C	.	.	H	α-helix	trans	-66.9	-46.9	173.1	-166.6	-87.8	0	0	0	110	W354 F357 L383 I387 P388 C396 A397 F398 L402 N403 T404	W354-F400 HydrophobicContact CH2-CD2 4.47Å; W354-F400 AromaticContact CH2-CE2 3.98Å; W354-F400 HydrophobicContact CH2-CE2 3.98Å; W354-F400 HydrophobicContact CZ2-CD2 4.44Å; W354-F400 HydrophobicContact CZ2-CE2 4.27Å; F357-F400 HydrophobicContact CE2-CE2 4.22Å; F357-F400 HydrophobicContact CE2-CZ 4.46Å; L383-F400 HydrophobicContact CB-CZ 4.47Å; I387-F400 HydrophobicContact CB-CD1 3.75Å; I387-F400 HydrophobicContact CB-CE1 3.76Å; I387-F400 HydrophobicContact CB-CG 4.32Å; I387-F400 HydrophobicContact CB-CZ 4.35Å; I387-F400 HydrophobicContact CG1-CE1 4.16Å; I387-F400 HydrophobicContact CG1-CZ 4.36Å; I387-F400 HydrophobicContact CG2-CB 4.11Å; I387-F400 HydrophobicContact CG2-CD1 3.63Å; I387-F400 HydrophobicContact CG2-CD2 4.11Å; I387-F400 HydrophobicContact CG2-CE1 4Å; I387-F400 HydrophobicContact CG2-CE2 4.45Å; I387-F400 HydrophobicContact CG2-CG 3.67Å; I387-F400 HydrophobicContact CG2-CZ 4.4Å; P388-F400 HydrophobicContact CG-CD1 4.22Å; C396-F400 WeakPolarHBondContact O-CB 3.34Å; C396-F400 PolarHBondContact O-N 3.4Å; A397-F400 WeakPolarHBondContact O-CB 3.34Å; A397-F400 PolarHBondContact O-N 3.19Å; F398-F400 VanDerWaalsContact C-N 3.29Å; F398-F400 PolarHBondContact O-N 3.45Å; F400-L402 VanDerWaalsContact C-N 3.28Å; F400-L402 PolarHBondContact O-N 3.5Å; F400-N403 CarbonylContact O-C 3.54Å; F400-N403 WeakPolarHBondContact O-CA 3.05Å; F400-N403 PolarHBondContact O-N 3.2Å; F400-T404 HydrophobicContact CD1-CG2 3.87Å; F400-T404 HydrophobicContact CE1-CG2 3.52Å; F400-T404 HydrophobicContact CZ-CG2 3.96Å; F400-T404 PolarHBondContact O-N 3.32Å; F400-T404 PolarHBondContact O-OG1 2.96Å
401	A	97.4	Very high	96	Very high	1 Å²	1	29 Å²	29	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-52.3	-44.7	174.6	0	0	0	0	0	112.5	P388 A397 F398 N403 T404 A405 L415	P388-A401 HydrophobicContact CB-CB 3.85Å; P388-A401 HydrophobicContact CG-CB 3.64Å; A397-A401 PolarHBondContact O-N 3.24Å; F398-A401 WeakPolarHBondContact O-CB 3.48Å; F398-A401 PolarHBondContact O-N 3.01Å; A401-N403 PolarHBondContact O-N 3.03Å; A401-T404 CarbonylContact O-C 3.5Å; A401-T404 PolarHBondContact O-N 2.77Å; A401-T404 PolarHBondContact O-OG1 3.33Å; A401-A405 WeakPolarHBondContact O-CA 3.37Å; A401-A405 PolarHBondContact O-N 3.03Å; A401-L415 HydrophobicContact CB-CD2 3.98Å
402	L	96.3	Very high	96	Very high	15 Å²	15	30.6 Å²	30.6	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-39.7	175.2	179.9	62.8	0	0	0	112.5	F398 F400 T404 A405 F429 L437	F398-L402 PolarHBondContact O-N 2.83Å; F400-L402 VanDerWaalsContact C-N 3.28Å; F400-L402 PolarHBondContact O-N 3.5Å; L402-T404 PolarHBondContact O-N 3.35Å; L402-A405 WeakPolarHBondContact O-CB 3.37Å; L402-A405 PolarHBondContact O-N 2.85Å; L402-F429 HydrophobicContact CB-CD2 4.47Å; L402-F429 HydrophobicContact CB-CE2 4.36Å; L402-F429 HydrophobicContact CD1-CD2 3.91Å; L402-F429 HydrophobicContact CD1-CE2 3.64Å; L402-F429 HydrophobicContact CD1-CZ 4.41Å; L402-L437 WeakPolarHBondContact O-CD1 3.49Å
403	N	97	Very high	96	Very high	9 Å²	9	32.4 Å²	32.4	5%	0.048	20%	0.201	C	C	.	.	H	α-helix	trans	-75.9	-11.7	179.8	-80.4	-85.6	0	0	0	113.7	H399 F400 A401 V454 R457	H399-N403 PolarHBondContact O-N 3.48Å; H399-N403 VanDerWaalsContact O-N 3.16Å; H399-N403 PolarHBondContact O-ND2 2.97Å; F400-N403 CarbonylContact O-C 3.54Å; F400-N403 WeakPolarHBondContact O-CA 3.05Å; F400-N403 PolarHBondContact O-N 3.2Å; A401-N403 PolarHBondContact O-N 3.03Å; N403-V454 HydrophobicContact CB-CG1 4.03Å; N403-R457 PolarHBondContact OD1-NE 2.88Å
404	T	97.4	Very high	96	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.031	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	13.2	176.3	64.5	0	0	0	0	112.4	F400 A401 L402 N406 L407 W450	F400-T404 HydrophobicContact CD1-CG2 3.87Å; F400-T404 HydrophobicContact CE1-CG2 3.52Å; F400-T404 HydrophobicContact CZ-CG2 3.96Å; F400-T404 PolarHBondContact O-N 3.32Å; F400-T404 PolarHBondContact O-OG1 2.96Å; A401-T404 CarbonylContact O-C 3.5Å; A401-T404 PolarHBondContact O-N 2.77Å; A401-T404 PolarHBondContact O-OG1 3.33Å; L402-T404 PolarHBondContact O-N 3.35Å; T404-N406 PolarHBondContact O-N 3.43Å; T404-L407 WeakPolarHBondContact O-CB 3.25Å; T404-L407 PolarHBondContact O-N 2.7Å; T404-W450 HydrophobicContact CG2-CH2 3.94Å; T404-W450 HydrophobicContact CG2-CZ2 3.82Å
405	A	97.3	Very high	96.1	Very high	6 Å²	6	36.5 Å²	36.5	5%	0.05	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-61.5	-31.7	-170.5	0	0	0	0	0	113.3	A401 L402 L407 A408 I414 I434 L437	A401-A405 WeakPolarHBondContact O-CA 3.37Å; A401-A405 PolarHBondContact O-N 3.03Å; L402-A405 WeakPolarHBondContact O-CB 3.37Å; L402-A405 PolarHBondContact O-N 2.85Å; A405-L407 PolarHBondContact O-N 3.04Å; A405-A408 PolarHBondContact O-N 3.05Å; A405-I414 HydrophobicContact CB-CD1 4.11Å; A405-I414 HydrophobicContact CB-CG1 4.4Å; A405-I414 HydrophobicContact CB-CG2 3.76Å; A405-I434 HydrophobicContact CB-CD1 4.12Å; A405-I434 HydrophobicContact CB-CG1 4Å; A405-L437 HydrophobicContact CB-CD1 4.1Å
406	N	95.9	Very high	96	Very high	46 Å²	46	34.6 Å²	34.6	25%	0.246	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-76.5	1.2	177.8	66.6	-25.3	0	0	0	114.4	T404 I434 L437 P438 A440	T404-N406 PolarHBondContact O-N 3.43Å; N406-I434 HydrophobicContact CB-CG2 4.28Å; N406-L437 HydrophobicContact CB-CD1 4.26Å; N406-P438 PolarHBondContact ND2-O 2.73Å; N406-A440 PolarHBondContact ND2-N 3.19Å
407	L	96.3	Very high	95.8	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.052	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-89.1	-17	170.1	-58	-175.3	0	0	0	113	A380 H381 T404 A405 R409 A440 W450	A380-L407 VanDerWaalsContact C-CD1 3.43Å; A380-L407 HydrophobicContact CB-CD1 3.8Å; A380-L407 HydrophobicContact CB-CD2 4.37Å; A380-L407 WeakPolarHBondContact O-CD1 3.32Å; H381-L407 PolarHBondContact CD2-O 2.74Å; T404-L407 WeakPolarHBondContact O-CB 3.25Å; T404-L407 PolarHBondContact O-N 2.7Å; A405-L407 PolarHBondContact O-N 3.04Å; L407-R409 PolarHBondContact O-N 2.7Å; L407-A440 HydrophobicContact CD2-CB 3.97Å; L407-W450 HydrophobicContact CD1-CH2 3.71Å; L407-W450 HydrophobicContact CD1-CZ2 3.5Å; L407-W450 VanDerWaalsContact CD1-CZ2 3.5Å; L407-W450 HydrophobicContact CD2-CZ2 4.39Å; L407-W450 HydrophobicContact CG-CZ2 4.13Å
408	A	95.8	Very high	95.5	Very high	39 Å²	39	43.6 Å²	43.6	32%	0.322	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-63.1	127.2	-176.5	0	0	0	0	0	110.8	A405 E412 I414	A405-A408 PolarHBondContact O-N 3.05Å; A408-E412 HydrophobicContact CB-CB 4.49Å; A408-I414 HydrophobicContact CB-CG1 3.7Å
409	R	94.9	Very high	95.1	Very high	88 Å²	88	44.2 Å²	44.2	33%	0.332	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-79.4	162.1	177.2	-64.5	173.9	-179.6	177.5	0.9	110.7	D377 H381 L407 G411 E412	D377-R409 IonicContact OD1-NH2 3.35Å; D377-R409 PolarHBondContact OD1-NH2 3.08Å; D377-R409 IonicContact OD2-NH2 3.24Å; H381-R409 PolarHBondContact CD2-NE 2.9Å; H381-R409 WeakPolarHBondContact NE2-CD 3.46Å; H381-R409 WeakPolarHBondContact NE2-CG 3.25Å; H381-R409 PolarHBondContact NE2-NE 3.43Å; L407-R409 PolarHBondContact O-N 2.7Å; R409-G411 PolarHBondContact O-N 3.21Å; R409-E412 HydrophobicContact CB-CG 4.15Å; R409-E412 PolarHBondContact N-OE2 3.35Å; R409-E412 WeakPolarHBondContact O-CB 3.05Å; R409-E412 PolarHBondContact O-N 3.44Å
410	P	95.3	Very high	94.7	Very high	138 Å²	138	45.9 Å²	45.9	90%	0.896	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	125.8	176.8	-27.2	35.6	0	0	0	112.4
411	G	94.5	Very high	94.2	Very high	89 Å²	89	50 Å²	50	92%	0.918	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-3.9	-178.2	0	0	0	0	0	115.1	R409	R409-G411 PolarHBondContact O-N 3.21Å
412	E	96	Very high	93.7	Very high	51 Å²	51	50.8 Å²	50.8	24%	0.238	30%	0.304	C	S	.	.			trans	-91.2	133	175.6	-62	-171.9	145.1	0	0	112.5	H381 R385 A408 R409 I414	H381-E412 IonicContact CE1-OE1 3.36Å; H381-E412 IonicContact CE1-OE2 3.6Å; H381-E412 IonicContact NE2-OE1 3.54Å; H381-E412 IonicContact NE2-OE2 3.74Å; H381-E412 PolarHBondContact NE2-OE2 3.47Å; H381-E412 VanDerWaalsContact NE2-OE2 3.08Å; R385-E412 WeakPolarHBondContact CD-OE1 3.49Å; R385-E412 IonicContact CZ-OE1 3.96Å; R385-E412 IonicContact NE-OE1 2.86Å; R385-E412 PolarHBondContact NE-OE1 3.2Å; R385-E412 IonicContact NH2-OE1 2.68Å; A408-E412 HydrophobicContact CB-CB 4.49Å; R409-E412 HydrophobicContact CB-CG 4.15Å; R409-E412 PolarHBondContact N-OE2 3.35Å; R409-E412 WeakPolarHBondContact O-CB 3.05Å; R409-E412 PolarHBondContact O-N 3.44Å; E412-I414 PolarHBondContact O-N 3.45Å
413	S	94.9	Very high	93.2	Very high	46 Å²	46	53 Å²	53	32%	0.322	32%	0.315	S	S	.	.			trans	-71.9	122.9	173.2	-53.1	0	0	0	0	111	R389 E417	R389-S413 PolarHBondContact NH2-O 2.71Å; S413-E417 WeakPolarHBondContact CB-OE1 3.33Å; S413-E417 PolarHBondContact OG-OE1 3.48Å
414	I	95.6	Very high	92.6	Very high	46 Å²	46	56.4 Å²	56.4	24%	0.236	34%	0.34	C	S	.	.	S	Bend	trans	-62.7	-50.5	173.2	-67.2	163.8	0	0	0	110.2	A405 A408 E412 F429 I434	A405-I414 HydrophobicContact CB-CD1 4.11Å; A405-I414 HydrophobicContact CB-CG1 4.4Å; A405-I414 HydrophobicContact CB-CG2 3.76Å; A408-I414 HydrophobicContact CB-CG1 3.7Å; E412-I414 PolarHBondContact O-N 3.45Å; I414-F429 HydrophobicContact CB-CZ 4.41Å; I414-F429 HydrophobicContact CD1-CZ 4.13Å; I414-F429 HydrophobicContact CG2-CE2 3.84Å; I414-F429 HydrophobicContact CG2-CZ 3.85Å; I414-I434 HydrophobicContact CD1-CD1 4.42Å
415	L	95.4	Very high	92	Very high	50 Å²	50	62.9 Å²	62.9	26%	0.262	37%	0.374	S	S	.	.	S	Bend	trans	-84.7	146.5	179.2	-63.2	-178.3	0	0	0	110.9	F398 A401 F427 F429	F398-L415 HydrophobicContact CD1-CD2 3.99Å; F398-L415 HydrophobicContact CE1-CD2 4.43Å; A401-L415 HydrophobicContact CB-CD2 3.98Å; L415-F427 HydrophobicContact CD2-CZ 4.49Å; L415-F429 HydrophobicContact CD1-CB 4.07Å; L415-F429 HydrophobicContact CD1-CD1 4.41Å; L415-F429 HydrophobicContact CD1-CD2 4.1Å; L415-F429 HydrophobicContact CD1-CG 3.95Å; L415-F429 HydrophobicContact CD2-CD2 3.77Å; L415-F429 HydrophobicContact CD2-CE2 4.02Å; L415-F429 HydrophobicContact CD2-CG 4.46Å; L415-F429 HydrophobicContact CG-CD2 4.14Å; L415-F429 HydrophobicContact CG-CE2 4.31Å; L415-F429 HydrophobicContact CG-CG 4.44Å
416	P	93.9	Very high	91.5	Very high	11 Å²	11	64.8 Å²	64.8	7%	0.071	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-69.3	137.6	177.3	31.4	-37	0	0	0	111.2	P388 R389 F398 R419	P388-P416 HydrophobicContact CB-CG 4.39Å; P388-P416 WeakPolarHBondContact O-CB 3.19Å; P388-P416 WeakPolarHBondContact O-CG 3.4Å; R389-P416 HydrophobicContact CG-CB 3.88Å; F398-P416 HydrophobicContact CD2-CG 4.04Å; F398-P416 HydrophobicContact CE1-CG 4.47Å; F398-P416 HydrophobicContact CE2-CG 3.44Å; F398-P416 VanDerWaalsContact CE2-CG 3.44Å; F398-P416 HydrophobicContact CZ-CG 3.69Å; P416-R419 HydrophobicContact CB-CB 4.44Å
417	E	92	Very high	91.3	Very high	94 Å²	94	63.5 Å²	63.5	44%	0.439	38%	0.375	S	S	.	.	S	Bend	trans	-88.4	160.6	173.9	-66.5	164.5	-154.6	0	0	111.4	S413 R419	S413-E417 WeakPolarHBondContact CB-OE1 3.33Å; S413-E417 PolarHBondContact OG-OE1 3.48Å; E417-R419 VanDerWaalsContact C-N 3.25Å; E417-R419 PolarHBondContact O-N 2.98Å
418	N	89.6	Confident	91	Very high	127 Å²	127	68.1 Å²	68.1	68%	0.679	40%	0.403	S	S	*	.	S	Bend	trans	50.8	44.6	175.2	-59.5	-43	0	0	0	113.2	R270	R270-N418 PolarHBondContact NH1-O 3.14Å; R270-N418 PolarHBondContact NH2-O 3.09Å
419	R	88.9	Confident	90.8	Very high	21 Å²	21	68.6 Å²	68.6	8%	0.079	40%	0.398	C	S	.	.	S	Bend	trans	-137.8	146.3	-177.7	-170.6	164.8	-161.8	173.6	9.3	110.5	P388 R389 F391 T394 P416 E417 T421	P388-R419 PolarHBondContact O-NH1 2.73Å; R389-R419 PolarHBondContact O-NH1 3.22Å; F391-R419 VanDerWaalsContact O-CZ 3.27Å; F391-R419 PolarHBondContact O-NH1 2.82Å; F391-R419 VanDerWaalsContact O-NH1 3.12Å; F391-R419 PolarHBondContact O-NH2 3.11Å; T394-R419 HydrophobicContact CG2-CG 4.29Å; P416-R419 HydrophobicContact CB-CB 4.44Å; E417-R419 VanDerWaalsContact C-N 3.25Å; E417-R419 PolarHBondContact O-N 2.98Å; R419-T421 PolarHBondContact O-N 2.76Å; R419-T421 VanDerWaalsContact O-N 3.14Å
420	V	86.1	Confident	90.7	Very high	59 Å²	59	67.9 Å²	67.9	36%	0.358	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-57	117.8	171.5	-179.5	0	0	0	0	109.1	T394	T394-V420 HydrophobicContact CG2-CB 4.39Å; T394-V420 WeakPolarHBondContact CG2-O 3.32Å
421	T	87.6	Confident	90.5	Very high	100 Å²	100	67.8 Å²	67.8	61%	0.613	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-79.7	139.3	175.3	52.6	0	0	0	0	109.5	F398 R419	F398-T421 HydrophobicContact CE1-CG2 4.1Å; F398-T421 HydrophobicContact CZ-CG2 3.97Å; R419-T421 PolarHBondContact O-N 2.76Å; R419-T421 VanDerWaalsContact O-N 3.14Å
422	P	87.7	Confident	90.6	Very high	16 Å²	16	67.4 Å²	67.4	10%	0.104	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-58	160.2	170	-18.5	30.4	0	0	0	111.3	F398 S424 F427	F398-P422 HydrophobicContact CB-CG 4.14Å; F398-P422 HydrophobicContact CD1-CG 4.33Å; F398-P422 HydrophobicContact CD2-CG 4.13Å; F398-P422 HydrophobicContact CG-CG 3.94Å; P422-S424 PolarHBondContact O-N 3.21Å; P422-F427 HydrophobicContact CB-CB 3.91Å; P422-F427 HydrophobicContact CG-CB 4.23Å
423	N	85	Confident	90.4	Very high	61 Å²	61	66.7 Å²	66.7	33%	0.326	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-62.2	140	177	-169	-20	0	0	0	110.1	N425 E426 F427	N423-N425 PolarHBondContact O-N 2.99Å; N423-N425 VanDerWaalsContact O-N 3.11Å; N423-N425 PolarHBondContact OD1-N 3.37Å; N423-E426 HydrophobicContact CB-CG 4.15Å; N423-E426 WeakPolarHBondContact O-CA 3.39Å; N423-E426 WeakPolarHBondContact O-CB 3.37Å; N423-E426 PolarHBondContact O-N 3.04Å; N423-F427 PolarHBondContact O-N 2.95Å
424	S	84.8	Confident	90.4	Very high	81 Å²	81	66.6 Å²	66.6	57%	0.566	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-26.3	178.2	59.1	0	0	0	0	114.2	P422 E426 V428	P422-S424 PolarHBondContact O-N 3.21Å; S424-E426 VanDerWaalsContact C-N 3.3Å; S424-V428 VanDerWaalsContact O-CG2 3.25Å; S424-V428 WeakPolarHBondContact O-CG2 3.31Å
425	N	84.5	Confident	90.4	Very high	141 Å²	141	69.9 Å²	69.9	75%	0.754	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-17.5	174.6	-66.4	-23.6	0	0	0	113.3	N423	N423-N425 PolarHBondContact O-N 2.99Å; N423-N425 VanDerWaalsContact O-N 3.11Å; N423-N425 PolarHBondContact OD1-N 3.37Å
426	E	86.3	Confident	90.5	Very high	47 Å²	47	71.4 Å²	71.4	22%	0.22	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-33.3	-177.5	-60.7	-176.5	128.4	0	0	112.2	H60 R128 Y395 N423 S424	H60-E426 IonicContact CE1-OE1 3.66Å; H60-E426 PolarHBondContact CE1-OE1 3.29Å; H60-E426 VanDerWaalsContact CE1-OE1 3.26Å; H60-E426 IonicContact CE1-OE2 2.81Å; H60-E426 PolarHBondContact CE1-OE2 3.33Å; H60-E426 IonicContact NE2-OE1 2.8Å; H60-E426 IonicContact NE2-OE2 3.27Å; R128-E426 IonicContact CZ-OE1 3.27Å; R128-E426 IonicContact NE-OE1 3.52Å; R128-E426 PolarHBondContact NE-OE1 3.03Å; R128-E426 IonicContact NH2-OE1 3.16Å; R128-E426 PolarHBondContact NH2-OE1 3.27Å; Y395-E426 HydrophobicContact CD2-CB 4.39Å; Y395-E426 HydrophobicContact CE2-CB 4.39Å; N423-E426 HydrophobicContact CB-CG 4.15Å; N423-E426 WeakPolarHBondContact O-CA 3.39Å; N423-E426 WeakPolarHBondContact O-CB 3.37Å; N423-E426 PolarHBondContact O-N 3.04Å; S424-E426 VanDerWaalsContact C-N 3.3Å
427	F	91.5	Very high	90.6	Very high	19 Å²	19	71.6 Å²	71.6	8%	0.083	40%	0.402	C	S	.	.			trans	-141.5	126.1	178.7	179	-93.5	0	0	0	110.7	F398 H399 L415 P422 N423 F429	F398-F427 HydrophobicContact CB-CD1 4.17Å; F398-F427 HydrophobicContact CB-CD2 4.22Å; F398-F427 HydrophobicContact CB-CE1 3.92Å; F398-F427 HydrophobicContact CB-CE2 3.97Å; F398-F427 HydrophobicContact CB-CG 4.32Å; F398-F427 HydrophobicContact CB-CZ 3.81Å; F398-F427 HydrophobicContact CD1-CD1 4.01Å; F398-F427 AromaticContact CD1-CE1 3.67Å; F398-F427 HydrophobicContact CD1-CE1 3.67Å; F398-F427 HydrophobicContact CD1-CZ 4.29Å; F398-F427 HydrophobicContact CG-CE1 4.29Å; H399-F427 AromaticContact CE1-CD2 3.75Å; H399-F427 AromaticContact ND1-CD2 3.93Å; H399-F427 AromaticContact ND1-CE2 3.91Å; H399-F427 AromaticContact NE2-CD2 3.82Å; L415-F427 HydrophobicContact CD2-CZ 4.49Å; P422-F427 HydrophobicContact CB-CB 3.91Å; P422-F427 HydrophobicContact CG-CB 4.23Å; N423-F427 PolarHBondContact O-N 2.95Å; F427-F429 HydrophobicContact CE1-CB 3.94Å; F427-F429 HydrophobicContact CZ-CB 4.21Å; F427-F429 HydrophobicContact CZ-CD2 4.15Å
428	V	91.7	Very high	90.8	Very high	106 Å²	106	68.2 Å²	68.2	64%	0.642	39%	0.389	S	S	*	.			trans	-122.2	130.1	166.6	-179.2	0	0	0	0	106.9	S424 D430	S424-V428 VanDerWaalsContact O-CG2 3.25Å; S424-V428 WeakPolarHBondContact O-CG2 3.31Å; V428-D430 PolarHBondContact O-N 3.06Å
429	F	91.3	Very high	91.1	Very high	50 Å²	50	69 Å²	69	22%	0.219	39%	0.386	C	S	.	.			trans	-77.1	109.7	173.9	-174.4	-106.9	0	0	0	109.1	L402 I414 L415 F427 E431 I434	L402-F429 HydrophobicContact CB-CD2 4.47Å; L402-F429 HydrophobicContact CB-CE2 4.36Å; L402-F429 HydrophobicContact CD1-CD2 3.91Å; L402-F429 HydrophobicContact CD1-CE2 3.64Å; L402-F429 HydrophobicContact CD1-CZ 4.41Å; I414-F429 HydrophobicContact CB-CZ 4.41Å; I414-F429 HydrophobicContact CD1-CZ 4.13Å; I414-F429 HydrophobicContact CG2-CE2 3.84Å; I414-F429 HydrophobicContact CG2-CZ 3.85Å; L415-F429 HydrophobicContact CD1-CB 4.07Å; L415-F429 HydrophobicContact CD1-CD1 4.41Å; L415-F429 HydrophobicContact CD1-CD2 4.1Å; L415-F429 HydrophobicContact CD1-CG 3.95Å; L415-F429 HydrophobicContact CD2-CD2 3.77Å; L415-F429 HydrophobicContact CD2-CE2 4.02Å; L415-F429 HydrophobicContact CD2-CG 4.46Å; L415-F429 HydrophobicContact CG-CD2 4.14Å; L415-F429 HydrophobicContact CG-CE2 4.31Å; L415-F429 HydrophobicContact CG-CG 4.44Å; F427-F429 HydrophobicContact CE1-CB 3.94Å; F427-F429 HydrophobicContact CZ-CB 4.21Å; F427-F429 HydrophobicContact CZ-CD2 4.15Å; F429-E431 HydrophobicContact CD1-CG 3.86Å; F429-E431 HydrophobicContact CE1-CG 3.32Å; F429-E431 HydrophobicContact CZ-CG 4.17Å; F429-I434 HydrophobicContact CZ-CD1 4.48Å
430	D	92.2	Very high	91.4	Very high	73 Å²	73	69.6 Å²	69.6	39%	0.39	40%	0.395	S	S	.	.			trans	-108.1	102.1	178.9	-179.7	5.8	0	0	0	110.2	V428 S432 V433	V428-D430 PolarHBondContact O-N 3.06Å; D430-S432 PolarHBondContact O-N 3.22Å; D430-S432 VanDerWaalsContact OD1-CB 3.22Å; D430-S432 WeakPolarHBondContact OD1-CB 3.42Å; D430-S432 PolarHBondContact OD1-N 3.01Å; D430-S432 PolarHBondContact OD1-OG 3.09Å; D430-S432 PolarHBondContact OD2-OG 3.28Å; D430-V433 HydrophobicContact CB-CG2 4.17Å; D430-V433 WeakPolarHBondContact O-CB 3.48Å; D430-V433 PolarHBondContact O-N 3.4Å
431	E	91.7	Very high	91.9	Very high	135 Å²	135	67.3 Å²	67.3	63%	0.631	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-63.3	-22.4	179	-71.6	-179.2	-173.1	0	0	113.1	F429 V433 I434	F429-E431 HydrophobicContact CD1-CG 3.86Å; F429-E431 HydrophobicContact CE1-CG 3.32Å; F429-E431 HydrophobicContact CZ-CG 4.17Å; E431-V433 PolarHBondContact O-N 2.86Å; E431-V433 VanDerWaalsContact O-N 3.09Å; E431-I434 HydrophobicContact CB-CD1 4.19Å; E431-I434 HydrophobicContact CG-CD1 4.21Å; E431-I434 WeakPolarHBondContact O-CB 3.35Å; E431-I434 WeakPolarHBondContact O-CG1 3.43Å; E431-I434 PolarHBondContact O-N 2.98Å
432	S	95	Very high	92.1	Very high	82 Å²	82	68.4 Å²	68.4	57%	0.573	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-64.8	-15.9	178.6	77.9	0	0	0	0	112.9	D430 P435	D430-S432 PolarHBondContact O-N 3.22Å; D430-S432 VanDerWaalsContact OD1-CB 3.22Å; D430-S432 WeakPolarHBondContact OD1-CB 3.42Å; D430-S432 PolarHBondContact OD1-N 3.01Å; D430-S432 PolarHBondContact OD1-OG 3.09Å; D430-S432 PolarHBondContact OD2-OG 3.28Å; S432-P435 WeakPolarHBondContact O-CD 3.44Å
433	V	93.5	Very high	92.4	Very high	35 Å²	35	70.3 Å²	70.3	21%	0.212	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-76.8	-23.3	174.9	-179.2	0	0	0	0	111.9	D430 E431 T436 L437	D430-V433 HydrophobicContact CB-CG2 4.17Å; D430-V433 WeakPolarHBondContact O-CB 3.48Å; D430-V433 PolarHBondContact O-N 3.4Å; E431-V433 PolarHBondContact O-N 2.86Å; E431-V433 VanDerWaalsContact O-N 3.09Å; V433-T436 WeakPolarHBondContact O-CA 3.23Å; V433-T436 WeakPolarHBondContact O-CB 3.11Å; V433-T436 PolarHBondContact O-N 3.32Å; V433-T436 PolarHBondContact O-OG1 3.05Å; V433-L437 HydrophobicContact CG1-CD2 4.49Å
434	I	94.6	Very high	92.8	Very high	44 Å²	44	68.4 Å²	68.4	23%	0.226	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-56.3	-46.2	-173.8	-63.7	173.9	0	0	0	112.6	A405 N406 I414 F429 E431 T436 L437	A405-I434 HydrophobicContact CB-CD1 4.12Å; A405-I434 HydrophobicContact CB-CG1 4Å; N406-I434 HydrophobicContact CB-CG2 4.28Å; I414-I434 HydrophobicContact CD1-CD1 4.42Å; F429-I434 HydrophobicContact CZ-CD1 4.48Å; E431-I434 HydrophobicContact CB-CD1 4.19Å; E431-I434 HydrophobicContact CG-CD1 4.21Å; E431-I434 WeakPolarHBondContact O-CB 3.35Å; E431-I434 WeakPolarHBondContact O-CG1 3.43Å; E431-I434 PolarHBondContact O-N 2.98Å; I434-T436 PolarHBondContact O-N 3.3Å; I434-T436 VanDerWaalsContact O-N 3.1Å; I434-L437 HydrophobicContact CB-CD1 4.5Å; I434-L437 HydrophobicContact CG2-CD1 4.39Å; I434-L437 WeakPolarHBondContact O-CB 3.35Å; I434-L437 WeakPolarHBondContact O-CG 3.27Å; I434-L437 PolarHBondContact O-N 3.3Å; I434-L437 VanDerWaalsContact O-N 3.08Å
435	P	95.7	Very high	93.3	Very high	115 Å²	115	67.3 Å²	67.3	75%	0.747	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-63.1	-16.4	176.4	-23.2	35.4	0	0	0	114.5	S432	S432-P435 WeakPolarHBondContact O-CD 3.44Å
436	T	96.1	Very high	93.8	Very high	83 Å²	83	62.8 Å²	62.8	51%	0.509	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-91.6	-3.9	178.3	79.6	0	0	0	0	113.2	V433 I434 R457	V433-T436 WeakPolarHBondContact O-CA 3.23Å; V433-T436 WeakPolarHBondContact O-CB 3.11Å; V433-T436 PolarHBondContact O-N 3.32Å; V433-T436 PolarHBondContact O-OG1 3.05Å; I434-T436 PolarHBondContact O-N 3.3Å; I434-T436 VanDerWaalsContact O-N 3.1Å; T436-R457 PolarHBondContact O-NH1 3.36Å; T436-R457 PolarHBondContact OG1-NH2 2.97Å
437	L	97.5	Very high	94.3	Very high	14 Å²	14	60.6 Å²	60.6	7%	0.073	33%	0.331	C	S	.	.	S	Bend	trans	-70.4	153.6	178.5	-63.4	177.6	0	0	0	110.6	L402 A405 N406 V433 I434 K439	L402-L437 WeakPolarHBondContact O-CD1 3.49Å; A405-L437 HydrophobicContact CB-CD1 4.1Å; N406-L437 HydrophobicContact CB-CD1 4.26Å; V433-L437 HydrophobicContact CG1-CD2 4.49Å; I434-L437 HydrophobicContact CB-CD1 4.5Å; I434-L437 HydrophobicContact CG2-CD1 4.39Å; I434-L437 WeakPolarHBondContact O-CB 3.35Å; I434-L437 WeakPolarHBondContact O-CG 3.27Å; I434-L437 PolarHBondContact O-N 3.3Å; I434-L437 VanDerWaalsContact O-N 3.08Å; L437-K439 PolarHBondContact O-N 3.35Å
438	P	96.4	Very high	94.6	Very high	24 Å²	24	59.7 Å²	59.7	16%	0.156	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-54	136.8	167.7	-22.1	35.2	0	0	0	109.6	N406 A440 A453 V454	N406-P438 PolarHBondContact ND2-O 2.73Å; P438-A440 PolarHBondContact O-N 2.95Å; P438-A453 HydrophobicContact CB-CB 3.81Å; P438-A453 HydrophobicContact CG-CB 3.57Å; P438-V454 HydrophobicContact CG-CG2 3.94Å
439	K	95.5	Very high	94.9	Very high	144 Å²	144	55.7 Å²	55.7	63%	0.626	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-51.7	136.4	-179.4	-169.7	-171.8	174.4	-166.4	0	109.8	L437 E442	L437-K439 PolarHBondContact O-N 3.35Å; K439-E442 WeakPolarHBondContact CE-OE1 3.31Å; K439-E442 IonicContact NZ-OE1 3.9Å; K439-E442 PolarHBondContact NZ-OE1 3.44Å; K439-E442 IonicContact NZ-OE2 2.66Å; K439-E442 PolarHBondContact NZ-OE2 2.87Å
440	A	95.3	Very high	95.3	Very high	33 Å²	33	53.7 Å²	53.7	27%	0.273	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-55.9	135.6	173	0	0	0	0	0	109.4	N406 L407 P438	N406-A440 PolarHBondContact ND2-N 3.19Å; L407-A440 HydrophobicContact CD2-CB 3.97Å; P438-A440 PolarHBondContact O-N 2.95Å
441	P	95.4	Very high	95.6	Very high	10 Å²	10	50.2 Å²	50.2	7%	0.065	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-69.4	136.3	-172.1	27.8	-33.4	0	0	0	111.7	D377 A380 D446 T447 W450	D377-P441 HydrophobicContact CB-CG 3.91Å; A380-P441 HydrophobicContact CB-CG 3.93Å; P441-D446 HydrophobicContact CB-CB 3.65Å; P441-T447 VanDerWaalsContact CB-OG1 3.31Å; P441-T447 WeakPolarHBondContact CB-OG1 3.35Å; P441-T447 WeakPolarHBondContact CG-OG1 3.47Å; P441-W450 HydrophobicContact CB-CB 4.43Å; P441-W450 HydrophobicContact CG-CG 4.45Å
442	E	92.2	Very high	95.9	Very high	124 Å²	124	44 Å²	44	58%	0.579	25%	0.246	S	C	*	.	S	Bend	trans	-110.8	0.1	178.2	-71.1	173.2	-179.5	0	0	112.2	V376 K439 D446	V376-E442 WeakPolarHBondContact CG1-O 3.47Å; K439-E442 WeakPolarHBondContact CE-OE1 3.31Å; K439-E442 IonicContact NZ-OE1 3.9Å; K439-E442 PolarHBondContact NZ-OE1 3.44Å; K439-E442 IonicContact NZ-OE2 2.66Å; K439-E442 PolarHBondContact NZ-OE2 2.87Å; E442-D446 PolarHBondContact N-OD2 3.18Å
443	T	93.3	Very high	96	Very high	56 Å²	56	41.9 Å²	41.9	34%	0.344	23%	0.233	S	C	.	.	S	Bend	trans	-143.9	160.3	171.4	66	0	0	0	0	110.8	V376 R445 D446 T447	V376-T443 VanDerWaalsContact CG1-C 3.47Å; T443-R445 PolarHBondContact O-N 2.77Å; T443-D446 PolarHBondContact N-OD2 3.48Å; T443-D446 WeakPolarHBondContact O-CB 3.43Å; T443-D446 PolarHBondContact O-N 3.38Å; T443-D446 VanDerWaalsContact O-N 3.09Å; T443-D446 PolarHBondContact OG1-N 3.29Å; T443-D446 PolarHBondContact OG1-OD1 3.43Å; T443-D446 PolarHBondContact OG1-OD2 3.22Å; T443-T447 PolarHBondContact O-N 3.44Å; T443-T447 PolarHBondContact O-OG1 2.93Å
444	P	94	Very high	96.3	Very high	21 Å²	21	40.2 Å²	40.2	14%	0.136	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-31	169.4	-27	38.3	0	0	0	112.9	Q364 T447 V448	Q364-P444 HydrophobicContact CG-CB 4.44Å; P444-T447 WeakPolarHBondContact O-CB 3.48Å; P444-T447 PolarHBondContact O-N 2.94Å; P444-V448 PolarHBondContact O-N 2.86Å
445	R	95.1	Very high	96.5	Very high	57 Å²	57	39.1 Å²	39.1	22%	0.215	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-48.5	171.1	177.7	-176.9	-174.4	-82	2.6	110.9	Y365 T443 T447 V448 L449 E504 E505 F508	Y365-R445 HydrophobicContact CD2-CB 4.36Å; Y365-R445 HydrophobicContact CE2-CB 4.49Å; T443-R445 PolarHBondContact O-N 2.77Å; R445-T447 PolarHBondContact O-N 3.35Å; R445-V448 WeakPolarHBondContact O-CB 3.24Å; R445-V448 PolarHBondContact O-N 2.77Å; R445-L449 VanDerWaalsContact NH1-CD1 3.35Å; R445-L449 PolarHBondContact O-N 3.42Å; R445-E504 IonicContact CZ-OE1 3.47Å; R445-E504 IonicContact NH1-OE1 3.6Å; R445-E504 PolarHBondContact NH1-OE1 3.49Å; R445-E504 IonicContact NH2-OE1 3.82Å; R445-E504 PolarHBondContact NH2-OE1 3.41Å; R445-E505 IonicContact CZ-OE2 3.34Å; R445-E505 IonicContact NE-OE2 2.74Å; R445-E505 IonicContact NH2-OE2 3.73Å; R445-E505 PolarHBondContact NH2-OE2 3.18Å; R445-F508 HydrophobicContact CB-CE2 4.14Å; R445-F508 HydrophobicContact CB-CZ 4.26Å; R445-F508 HydrophobicContact CG-CD1 4.38Å; R445-F508 HydrophobicContact CG-CD2 3.78Å; R445-F508 HydrophobicContact CG-CE1 4.2Å; R445-F508 HydrophobicContact CG-CE2 3.6Å; R445-F508 HydrophobicContact CG-CG 4.17Å; R445-F508 HydrophobicContact CG-CZ 3.81Å
446	D	95.7	Very high	96.6	Very high	47 Å²	47	34.5 Å²	34.5	25%	0.251	19%	0.186	S	C	.	.	H	α-helix	trans	-61.7	-34	178.5	-58.1	-27.5	0	0	0	111.3	P441 E442 T443 V448 L449 W450	P441-D446 HydrophobicContact CB-CB 3.65Å; E442-D446 PolarHBondContact N-OD2 3.18Å; T443-D446 PolarHBondContact N-OD2 3.48Å; T443-D446 WeakPolarHBondContact O-CB 3.43Å; T443-D446 PolarHBondContact O-N 3.38Å; T443-D446 VanDerWaalsContact O-N 3.09Å; T443-D446 PolarHBondContact OG1-N 3.29Å; T443-D446 PolarHBondContact OG1-OD1 3.43Å; T443-D446 PolarHBondContact OG1-OD2 3.22Å; D446-V448 VanDerWaalsContact C-N 3.3Å; D446-V448 PolarHBondContact O-N 3.05Å; D446-L449 PolarHBondContact O-N 2.94Å; D446-W450 WeakPolarHBondContact O-CA 3.49Å; D446-W450 WeakPolarHBondContact O-CB 3.42Å; D446-W450 PolarHBondContact O-N 3.1Å
447	T	96.8	Very high	96.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-38.4	178.2	-63.2	0	0	0	0	112.1	T361 V376 A380 P441 T443 P444 R445 L451	T361-T447 HydrophobicContact CG2-CG2 3.64Å; V376-T447 PolarHBondContact O-OG1 3.48Å; A380-T447 HydrophobicContact CB-CG2 4.06Å; P441-T447 VanDerWaalsContact CB-OG1 3.31Å; P441-T447 WeakPolarHBondContact CB-OG1 3.35Å; P441-T447 WeakPolarHBondContact CG-OG1 3.47Å; T443-T447 PolarHBondContact O-N 3.44Å; T443-T447 PolarHBondContact O-OG1 2.93Å; P444-T447 WeakPolarHBondContact O-CB 3.48Å; P444-T447 PolarHBondContact O-N 2.94Å; R445-T447 PolarHBondContact O-N 3.35Å; T447-L451 PolarHBondContact O-N 2.7Å; T447-L451 VanDerWaalsContact O-N 3.15Å
448	V	97.9	Very high	96.6	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-64.9	-47.9	175.1	177.2	0	0	0	0	111.1	T361 V362 P444 R445 D446 N452 F508 L511	T361-V448 WeakPolarHBondContact O-CG2 3.42Å; V362-V448 HydrophobicContact CG2-CG1 4.1Å; V362-V448 HydrophobicContact CG2-CG2 4.11Å; P444-V448 PolarHBondContact O-N 2.86Å; R445-V448 WeakPolarHBondContact O-CB 3.24Å; R445-V448 PolarHBondContact O-N 2.77Å; D446-V448 VanDerWaalsContact C-N 3.3Å; D446-V448 PolarHBondContact O-N 3.05Å; V448-N452 PolarHBondContact O-N 2.95Å; V448-F508 HydrophobicContact CB-CD2 4.25Å; V448-F508 HydrophobicContact CB-CE2 4.02Å; V448-F508 HydrophobicContact CG1-CD2 4.17Å; V448-F508 HydrophobicContact CG1-CE2 4.21Å; V448-F508 HydrophobicContact CG2-CE2 4.17Å; V448-L511 HydrophobicContact CG1-CB 3.76Å; V448-L511 HydrophobicContact CG1-CD1 3.99Å
449	L	98.4	Very high	96.6	Very high	22 Å²	22	33.6 Å²	33.6	12%	0.115	17%	0.171	C	C	.	.	H	α-helix	trans	-68.6	-39.8	179.8	-69.3	173.5	0	0	0	112.3	R445 D446 L451 N452 A453 E504 L507 F508 L511	R445-L449 VanDerWaalsContact NH1-CD1 3.35Å; R445-L449 PolarHBondContact O-N 3.42Å; D446-L449 PolarHBondContact O-N 2.94Å; L449-L451 PolarHBondContact O-N 2.87Å; L449-N452 WeakPolarHBondContact O-CB 3.45Å; L449-N452 PolarHBondContact O-N 3.25Å; L449-A453 PolarHBondContact O-N 2.98Å; L449-E504 HydrophobicContact CD1-CG 3.73Å; L449-E504 HydrophobicContact CD2-CG 4.36Å; L449-L507 HydrophobicContact CD2-CD2 3.97Å; L449-L507 HydrophobicContact CD2-CG 3.98Å; L449-F508 HydrophobicContact CD2-CB 4.08Å; L449-F508 HydrophobicContact CG-CB 4.48Å; L449-F508 HydrophobicContact CG-CD2 4.34Å; L449-L511 HydrophobicContact CD2-CD1 4.33Å
450	W	98.1	Very high	96.7	Very high	8 Å²	8	35.3 Å²	35.3	3%	0.03	18%	0.178	C	C	.	.	H	α-helix	trans	-57.3	-49.6	176.7	166.1	86.8	0	0	0	110.9	A380 T404 L407 P441 D446 N452 A453 V454	A380-W450 HydrophobicContact CB-CD2 4.44Å; A380-W450 HydrophobicContact CB-CE3 3.83Å; A380-W450 HydrophobicContact CB-CH2 4.01Å; A380-W450 HydrophobicContact CB-CZ3 3.59Å; T404-W450 HydrophobicContact CG2-CH2 3.94Å; T404-W450 HydrophobicContact CG2-CZ2 3.82Å; L407-W450 HydrophobicContact CD1-CH2 3.71Å; L407-W450 HydrophobicContact CD1-CZ2 3.5Å; L407-W450 VanDerWaalsContact CD1-CZ2 3.5Å; L407-W450 HydrophobicContact CD2-CZ2 4.39Å; L407-W450 HydrophobicContact CG-CZ2 4.13Å; P441-W450 HydrophobicContact CB-CB 4.43Å; P441-W450 HydrophobicContact CG-CG 4.45Å; D446-W450 WeakPolarHBondContact O-CA 3.49Å; D446-W450 WeakPolarHBondContact O-CB 3.42Å; D446-W450 PolarHBondContact O-N 3.1Å; W450-N452 VanDerWaalsContact C-N 3.3Å; W450-N452 PolarHBondContact O-N 2.96Å; W450-A453 PolarHBondContact O-N 3.45Å; W450-A453 VanDerWaalsContact O-N 3.14Å; W450-V454 HydrophobicContact CD2-CG2 4.22Å; W450-V454 HydrophobicContact CZ2-CG2 3.85Å; W450-V454 WeakPolarHBondContact O-CG2 3.44Å; W450-V454 PolarHBondContact O-N 2.9Å
451	L	98.5	Very high	96.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-35.9	-179.4	-175.1	67	0	0	0	111.3	W354 F357 H358 T361 T447 L449 V454 H455	W354-L451 HydrophobicContact CE3-CD1 4.4Å; W354-L451 HydrophobicContact CZ3-CD1 3.75Å; W354-L451 HydrophobicContact CZ3-CG 4.44Å; F357-L451 HydrophobicContact CB-CD1 4.37Å; F357-L451 HydrophobicContact CB-CD2 3.59Å; H358-L451 HydrophobicContact CB-CD2 4.38Å; T361-L451 HydrophobicContact CG2-CB 4.12Å; T361-L451 HydrophobicContact CG2-CD2 3.63Å; T361-L451 HydrophobicContact CG2-CG 4.48Å; T447-L451 PolarHBondContact O-N 2.7Å; T447-L451 VanDerWaalsContact O-N 3.15Å; L449-L451 PolarHBondContact O-N 2.87Å; L451-V454 PolarHBondContact O-N 2.94Å; L451-H455 VanDerWaalsContact O-CB 3.26Å; L451-H455 WeakPolarHBondContact O-CB 3.42Å; L451-H455 PolarHBondContact O-N 3.08Å
452	N	98.6	Very high	96.6	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.027	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-46.5	172.2	178.4	-88.3	0	0	0	111.7	V448 L449 W450 H455 N456 F477 L511	V448-N452 PolarHBondContact O-N 2.95Å; L449-N452 WeakPolarHBondContact O-CB 3.45Å; L449-N452 PolarHBondContact O-N 3.25Å; W450-N452 VanDerWaalsContact C-N 3.3Å; W450-N452 PolarHBondContact O-N 2.96Å; N452-H455 PolarHBondContact O-N 3.18Å; N452-N456 WeakPolarHBondContact O-CB 3.39Å; N452-N456 PolarHBondContact O-N 3.05Å; N452-N456 PolarHBondContact O-ND2 2.97Å; N452-N456 PolarHBondContact OD1-ND2 3.01Å; N452-F477 PolarHBondContact ND2-O 2.92Å; N452-L511 HydrophobicContact CB-CD1 3.67Å; N452-L511 HydrophobicContact CB-CD2 4.46Å
453	A	98.4	Very high	96.7	Very high	36 Å²	36	34.6 Å²	34.6	30%	0.298	17%	0.173	S	C	.	.	H	α-helix	trans	-62.8	-43.6	178	0	0	0	0	0	111.9	P438 L449 W450 N456 R457	P438-A453 HydrophobicContact CB-CB 3.81Å; P438-A453 HydrophobicContact CG-CB 3.57Å; L449-A453 PolarHBondContact O-N 2.98Å; W450-A453 PolarHBondContact O-N 3.45Å; W450-A453 VanDerWaalsContact O-N 3.14Å; A453-N456 PolarHBondContact O-N 3.16Å; A453-R457 WeakPolarHBondContact O-CG 3.23Å; A453-R457 PolarHBondContact O-N 2.81Å
454	V	98.4	Very high	96.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-46.9	174.6	170.4	0	0	0	0	111.2	W354 N403 P438 W450 L451 N456 R457 V458	W354-V454 HydrophobicContact CH2-CG1 4.19Å; N403-V454 HydrophobicContact CB-CG1 4.03Å; P438-V454 HydrophobicContact CG-CG2 3.94Å; W450-V454 HydrophobicContact CD2-CG2 4.22Å; W450-V454 HydrophobicContact CZ2-CG2 3.85Å; W450-V454 WeakPolarHBondContact O-CG2 3.44Å; W450-V454 PolarHBondContact O-N 2.9Å; L451-V454 PolarHBondContact O-N 2.94Å; V454-N456 VanDerWaalsContact C-N 3.29Å; V454-N456 PolarHBondContact O-N 2.81Å; V454-R457 WeakPolarHBondContact O-CB 3.15Å; V454-R457 PolarHBondContact O-N 3.11Å; V454-V458 WeakPolarHBondContact O-CG2 3.34Å; V454-V458 PolarHBondContact O-N 2.68Å
455	H	98.3	Very high	96.5	Very high	22 Å²	22	38.3 Å²	38.3	10%	0.102	20%	0.201	C	C	.	.	H	α-helix	trans	-60.2	-40.6	177.4	-168.4	-175.3	0	0	0	111.2	W354 H358 L451 N452 V458 N459	W354-H455 AromaticContact CD2-CD2 3.77Å; W354-H455 AromaticContact CD2-NE2 3.85Å; W354-H455 AromaticContact CE2-CD2 3.94Å; W354-H455 HydrophobicContact CE3-CB 3.91Å; W354-H455 AromaticContact CE3-CD2 3.86Å; W354-H455 AromaticContact CE3-CG 3.64Å; W354-H455 AromaticContact CE3-ND1 3.9Å; W354-H455 AromaticContact CG-NE2 3.87Å; W354-H455 HydrophobicContact CH2-CB 4.13Å; W354-H455 HydrophobicContact CZ3-CB 3.59Å; W354-H455 AromaticContact CZ3-CG 3.82Å; H358-H455 AromaticContact CD2-ND1 3.95Å; H358-H455 AromaticContact NE2-CG 3.88Å; H358-H455 AromaticContact NE2-ND1 3.13Å; H358-H455 PolarHBondContact NE2-ND1 2.8Å; H358-H455 VanDerWaalsContact NE2-ND1 3.13Å; L451-H455 VanDerWaalsContact O-CB 3.26Å; L451-H455 WeakPolarHBondContact O-CB 3.42Å; L451-H455 PolarHBondContact O-N 3.08Å; N452-H455 PolarHBondContact O-N 3.18Å; H455-V458 CarbonylContact O-C 3.49Å; H455-V458 WeakPolarHBondContact O-CB 3.48Å; H455-V458 PolarHBondContact O-N 3.03Å; H455-V458 VanDerWaalsContact O-N 3.16Å; H455-N459 PolarHBondContact O-N 3.49Å
456	N	98.2	Very high	96.4	Very high	18 Å²	18	38.6 Å²	38.6	10%	0.096	21%	0.211	C	C	.	.	H	α-helix	trans	-67.8	-33.9	177.4	-80.5	-34.6	0	0	0	113.4	N452 A453 V454 V458 N459 K460 Q476 F477	N452-N456 WeakPolarHBondContact O-CB 3.39Å; N452-N456 PolarHBondContact O-N 3.05Å; N452-N456 PolarHBondContact O-ND2 2.97Å; N452-N456 PolarHBondContact OD1-ND2 3.01Å; A453-N456 PolarHBondContact O-N 3.16Å; V454-N456 VanDerWaalsContact C-N 3.29Å; V454-N456 PolarHBondContact O-N 2.81Å; N456-V458 VanDerWaalsContact C-N 3.33Å; N456-N459 PolarHBondContact O-N 2.86Å; N456-K460 WeakPolarHBondContact O-CB 3.41Å; N456-K460 PolarHBondContact O-N 3.19Å; N456-Q476 WeakPolarHBondContact OD1-CA 3.42Å; N456-F477 PolarHBondContact ND2-O 2.86Å; N456-F477 PolarHBondContact OD1-N 3.37Å
457	R	97.5	Very high	96.2	Very high	79 Å²	79	37.4 Å²	37.4	30%	0.298	21%	0.206	S	C	.	.	H	α-helix	trans	-61.1	-43	168.7	-71.8	173.8	64.3	90.6	-1.6	111.5	N403 T436 A453 V454 K460 R461	N403-R457 PolarHBondContact OD1-NE 2.88Å; T436-R457 PolarHBondContact O-NH1 3.36Å; T436-R457 PolarHBondContact OG1-NH2 2.97Å; A453-R457 WeakPolarHBondContact O-CG 3.23Å; A453-R457 PolarHBondContact O-N 2.81Å; V454-R457 WeakPolarHBondContact O-CB 3.15Å; V454-R457 PolarHBondContact O-N 3.11Å; R457-K460 PolarHBondContact O-N 3.45Å; R457-R461 PolarHBondContact O-N 3.35Å; R457-R461 VanDerWaalsContact O-N 3.09Å
458	V	96.8	Very high	96	Very high	10 Å²	10	39.3 Å²	39.3	6%	0.061	22%	0.215	C	C	.	.	H	α-helix	trans	-66.5	-42.1	177	176.4	0	0	0	0	111.2	W354 V454 H455 N456 K460 R461 L462	W354-V458 HydrophobicContact CH2-CG2 4.3Å; W354-V458 HydrophobicContact CZ2-CB 4.3Å; W354-V458 HydrophobicContact CZ2-CG1 4.28Å; W354-V458 HydrophobicContact CZ2-CG2 4.1Å; V454-V458 WeakPolarHBondContact O-CG2 3.34Å; V454-V458 PolarHBondContact O-N 2.68Å; H455-V458 CarbonylContact O-C 3.49Å; H455-V458 WeakPolarHBondContact O-CB 3.48Å; H455-V458 PolarHBondContact O-N 3.03Å; H455-V458 VanDerWaalsContact O-N 3.16Å; N456-V458 VanDerWaalsContact C-N 3.33Å; V458-K460 VanDerWaalsContact C-N 3.34Å; V458-K460 PolarHBondContact O-N 3.06Å; V458-R461 PolarHBondContact O-N 3.21Å; V458-L462 HydrophobicContact CG1-CD1 3.62Å; V458-L462 HydrophobicContact CG1-CG 4.1Å; V458-L462 WeakPolarHBondContact O-CB 3.3Å; V458-L462 WeakPolarHBondContact O-CG 3.32Å; V458-L462 PolarHBondContact O-N 3.33Å
459	N	97	Very high	95.8	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.064	22%	0.216	C	C	.	.	H	α-helix	trans	-58.7	-45.9	174.6	-74.6	-16.1	0	0	0	111.2	H455 N456 R461 L462 A463 K474 V475	H455-N459 PolarHBondContact O-N 3.49Å; N456-N459 PolarHBondContact O-N 2.86Å; N459-R461 VanDerWaalsContact C-N 3.32Å; N459-R461 PolarHBondContact O-N 3.26Å; N459-L462 PolarHBondContact O-N 2.96Å; N459-A463 WeakPolarHBondContact O-CB 3.27Å; N459-A463 PolarHBondContact O-N 3.02Å; N459-K474 HydrophobicContact CB-CB 4.19Å; N459-V475 PolarHBondContact ND2-O 3.14Å
460	K	96.5	Very high	95.4	Very high	181 Å²	181	42.3 Å²	42.3	79%	0.787	24%	0.236	S	C	*	.	H	α-helix	trans	-58.6	-41.9	176.2	-176.6	176.4	-179.7	176.1	0	112.4	N456 R457 V458	N456-K460 WeakPolarHBondContact O-CB 3.41Å; N456-K460 PolarHBondContact O-N 3.19Å; R457-K460 PolarHBondContact O-N 3.45Å; V458-K460 VanDerWaalsContact C-N 3.34Å; V458-K460 PolarHBondContact O-N 3.06Å
461	R	94.2	Very high	95	Very high	74 Å²	74	45.9 Å²	45.9	28%	0.279	26%	0.258	S	S	.	.	H	α-helix	trans	-68	-40.1	177.9	-172.3	-174	73.5	-142.7	2.9	112.4	H399 R457 V458 N459	H399-R461 PolarHBondContact ND1-NH1 3.44Å; R457-R461 PolarHBondContact O-N 3.35Å; R457-R461 VanDerWaalsContact O-N 3.09Å; V458-R461 PolarHBondContact O-N 3.21Å; N459-R461 VanDerWaalsContact C-N 3.32Å; N459-R461 PolarHBondContact O-N 3.26Å
462	L	94.5	Very high	94.6	Very high	37 Å²	37	46.5 Å²	46.5	19%	0.194	26%	0.263	C	S	.	.	H	α-helix	trans	-90.1	-8.7	-173.2	-63.5	-176.6	0	0	0	114	V458 N459 G464 Q465 K474	V458-L462 HydrophobicContact CG1-CD1 3.62Å; V458-L462 HydrophobicContact CG1-CG 4.1Å; V458-L462 WeakPolarHBondContact O-CB 3.3Å; V458-L462 WeakPolarHBondContact O-CG 3.32Å; V458-L462 PolarHBondContact O-N 3.33Å; N459-L462 PolarHBondContact O-N 2.96Å; L462-G464 PolarHBondContact O-N 3.42Å; L462-Q465 VanDerWaalsContact O-CB 3.28Å; L462-Q465 WeakPolarHBondContact O-CB 3.35Å; L462-Q465 WeakPolarHBondContact O-CG 3.5Å; L462-Q465 PolarHBondContact O-N 3.26Å; L462-K474 HydrophobicContact CB-CG 4.35Å
463	A	94.8	Very high	94.3	Very high	41 Å²	41	48.4 Å²	48.4	34%	0.339	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	135	176.6	0	0	0	0	0	111.6	N459 Q465 E468 K474	N459-A463 WeakPolarHBondContact O-CB 3.27Å; N459-A463 PolarHBondContact O-N 3.02Å; A463-Q465 PolarHBondContact O-N 3.46Å; A463-E468 WeakPolarHBondContact CA-OE1 3.25Å; A463-K474 HydrophobicContact CB-CB 4.1Å
464	G	91.6	Very high	94.1	Very high	62 Å²	62	50 Å²	50	64%	0.639	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	4.3	-178	0	0	0	0	0	115.4	L462 E468	L462-G464 PolarHBondContact O-N 3.42Å; G464-E468 WeakPolarHBondContact CA-OE2 3.14Å; G464-E468 PolarHBondContact N-OE1 3.01Å; G464-E468 PolarHBondContact N-OE2 3.43Å
465	Q	92.1	Very high	93.8	Very high	92 Å²	92	52.7 Å²	52.7	43%	0.43	29%	0.293	S	S	.	.	S	Bend	trans	-77	155.6	175.2	-62.7	-60.5	-39.1	0	0	110.8	L462 A463 S467 E468	L462-Q465 VanDerWaalsContact O-CB 3.28Å; L462-Q465 WeakPolarHBondContact O-CB 3.35Å; L462-Q465 WeakPolarHBondContact O-CG 3.5Å; L462-Q465 PolarHBondContact O-N 3.26Å; A463-Q465 PolarHBondContact O-N 3.46Å; Q465-S467 PolarHBondContact O-N 2.98Å; Q465-E468 WeakPolarHBondContact O-CB 3.14Å; Q465-E468 PolarHBondContact O-N 3.13Å
466	P	91.3	Very high	93.7	Very high	64 Å²	64	55.9 Å²	55.9	42%	0.416	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.6	-178.9	-28	35.6	0	0	0	115.4	I62 F346 E468	I62-P466 HydrophobicContact CG2-CB 4.33Å; F346-P466 WeakPolarHBondContact CE1-O 3.28Å; P466-E468 VanDerWaalsContact C-N 3.31Å
467	S	92	Very high	93.6	Very high	21 Å²	21	55.7 Å²	55.7	15%	0.147	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-5.5	176.8	61.4	0	0	0	0	114.7	G59 Q465	G59-S467 VanDerWaalsContact CA-CB 3.4Å; Q465-S467 PolarHBondContact O-N 2.98Å
468	E	93.4	Very high	93.6	Very high	40 Å²	40	51.9 Å²	51.9	19%	0.187	29%	0.292	C	S	.	.	S	Bend	trans	-71.8	128.1	176.5	-177.8	169.8	-107.3	0	0	110.2	A463 G464 Q465 P466 P470 P473 K474	A463-E468 WeakPolarHBondContact CA-OE1 3.25Å; G464-E468 WeakPolarHBondContact CA-OE2 3.14Å; G464-E468 PolarHBondContact N-OE1 3.01Å; G464-E468 PolarHBondContact N-OE2 3.43Å; Q465-E468 WeakPolarHBondContact O-CB 3.14Å; Q465-E468 PolarHBondContact O-N 3.13Å; P466-E468 VanDerWaalsContact C-N 3.31Å; E468-P470 WeakPolarHBondContact O-CD 3.37Å; E468-P473 HydrophobicContact CG-CB 4.47Å; E468-K474 HydrophobicContact CG-CG 4.23Å; E468-K474 WeakPolarHBondContact OE1-CA 3.21Å; E468-K474 VanDerWaalsContact OE1-CB 3.28Å; E468-K474 WeakPolarHBondContact OE1-CB 3.41Å; E468-K474 WeakPolarHBondContact OE1-CG 3.42Å; E468-K474 PolarHBondContact OE1-N 3.42Å
469	D	92.5	Very high	93.5	Very high	4 Å²	4	52 Å²	52	2%	0.021	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-73.8	122	175.3	-169.7	-27	0	0	0	109.2	G341 S342 F346 R347 T471 A472	G341-D469 VanDerWaalsContact CA-OD2 3.3Å; G341-D469 WeakPolarHBondContact CA-OD2 3.42Å; S342-D469 WeakPolarHBondContact CB-OD1 3.24Å; S342-D469 PolarHBondContact N-OD2 2.96Å; S342-D469 VanDerWaalsContact OG-CG 3.31Å; S342-D469 PolarHBondContact OG-OD1 2.83Å; F346-D469 HydrophobicContact CB-CB 3.9Å; F346-D469 WeakPolarHBondContact CB-OD2 3.41Å; F346-D469 HydrophobicContact CD1-CB 4.45Å; F346-D469 HydrophobicContact CD2-CB 4.42Å; F346-D469 HydrophobicContact CG-CB 4.04Å; R347-D469 WeakPolarHBondContact CD-OD2 3.47Å; R347-D469 HydrophobicContact CG-CB 4.04Å; D469-T471 PolarHBondContact O-N 2.94Å; D469-T471 VanDerWaalsContact O-N 3.11Å; D469-T471 PolarHBondContact OD1-N 3.34Å; D469-T471 PolarHBondContact OD1-OG1 3.48Å; D469-T471 VanDerWaalsContact OD1-OG1 3.09Å; D469-A472 HydrophobicContact CB-CB 4.15Å; D469-A472 CarbonylContact O-C 3.56Å; D469-A472 WeakPolarHBondContact O-CA 3.39Å; D469-A472 PolarHBondContact O-N 2.99Å
470	P	90.7	Very high	93.4	Very high	83 Å²	83	53.2 Å²	53.2	54%	0.539	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.1	179.3	-25.7	35.3	0	0	0	114.2	E468	E468-P470 WeakPolarHBondContact O-CD 3.37Å
471	T	90.1	Very high	93.2	Very high	82 Å²	82	49.2 Å²	49.2	50%	0.503	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.7	177.3	72.2	0	0	0	0	112.9	D469	D469-T471 PolarHBondContact O-N 2.94Å; D469-T471 VanDerWaalsContact O-N 3.11Å; D469-T471 PolarHBondContact OD1-N 3.34Å; D469-T471 PolarHBondContact OD1-OG1 3.48Å; D469-T471 VanDerWaalsContact OD1-OG1 3.09Å
472	A	90.4	Very high	93.1	Very high	13 Å²	13	48.3 Å²	48.3	11%	0.107	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-148.4	66.9	178.6	0	0	0	0	0	112	D469	D469-A472 HydrophobicContact CB-CB 4.15Å; D469-A472 CarbonylContact O-C 3.56Å; D469-A472 WeakPolarHBondContact O-CA 3.39Å; D469-A472 PolarHBondContact O-N 2.99Å
473	P	92	Very high	93.2	Very high	46 Å²	46	47 Å²	47	30%	0.299	28%	0.277	S	S	.	.			trans	-58.3	148.9	178.3	24.7	-36.3	0	0	0	112.5	I245 E468 V475	I245-P473 HydrophobicContact CD1-CG 3.48Å; I245-P473 VanDerWaalsContact CD1-CG 3.48Å; E468-P473 HydrophobicContact CG-CB 4.47Å; P473-V475 PolarHBondContact O-N 3.26Å
474	K	93.5	Very high	93.3	Very high	69 Å²	69	49.1 Å²	49.1	30%	0.3	29%	0.287	S	S	.	.			trans	-74.3	111.6	174.1	-55	-56.5	-175.2	-179.5	0	108.4	N459 L462 A463 E468	N459-K474 HydrophobicContact CB-CB 4.19Å; L462-K474 HydrophobicContact CB-CG 4.35Å; A463-K474 HydrophobicContact CB-CB 4.1Å; E468-K474 HydrophobicContact CG-CG 4.23Å; E468-K474 WeakPolarHBondContact OE1-CA 3.21Å; E468-K474 VanDerWaalsContact OE1-CB 3.28Å; E468-K474 WeakPolarHBondContact OE1-CB 3.41Å; E468-K474 WeakPolarHBondContact OE1-CG 3.42Å; E468-K474 PolarHBondContact OE1-N 3.42Å
475	V	93.2	Very high	93.6	Very high	56 Å²	56	50.5 Å²	50.5	34%	0.339	28%	0.284	S	S	.	.			trans	-126	166	175.1	-62.6	0	0	0	0	109.4	Y247 N459 P473 F477	Y247-V475 VanDerWaalsContact OH-CG2 3.23Å; Y247-V475 WeakPolarHBondContact OH-CG2 3.05Å; N459-V475 PolarHBondContact ND2-O 3.14Å; P473-V475 PolarHBondContact O-N 3.26Å; V475-F477 PolarHBondContact O-N 3.43Å
476	Q	95.3	Very high	93.9	Very high	89 Å²	89	46.1 Å²	46.1	42%	0.416	26%	0.263	S	S	.	.	S	Bend	trans	-61.6	125.9	167	-173.9	170	20.2	0	0	109.2	N456 P478 W487 L497	N456-Q476 WeakPolarHBondContact OD1-CA 3.42Å; Q476-P478 CarbonylContact O-C 3.54Å; Q476-W487 HydrophobicContact CB-CH2 4.07Å; Q476-W487 HydrophobicContact CG-CH2 3.85Å; Q476-W487 HydrophobicContact CG-CZ2 4.37Å; Q476-W487 VanDerWaalsContact OE1-CH2 3.27Å; Q476-L497 HydrophobicContact CG-CD2 3.93Å
477	F	96.3	Very high	94.2	Very high	14 Å²	14	44.7 Å²	44.7	6%	0.061	25%	0.249	C	C	.	.	S	Bend	trans	-112.1	134.7	-173.1	-177.3	-93.8	0	0	0	111.5	Y247 N452 N456 V475 L482 F510 L511 Y515	Y247-F477 HydrophobicContact CD1-CD2 4.12Å; Y247-F477 AromaticContact CD1-CE2 3.61Å; Y247-F477 HydrophobicContact CD1-CE2 3.61Å; Y247-F477 AromaticContact CE1-CD2 3.61Å; Y247-F477 HydrophobicContact CE1-CD2 3.61Å; Y247-F477 AromaticContact CE1-CE2 3.59Å; Y247-F477 HydrophobicContact CE1-CE2 3.59Å; Y247-F477 HydrophobicContact CG-CE2 4.24Å; N452-F477 PolarHBondContact ND2-O 2.92Å; N456-F477 PolarHBondContact ND2-O 2.86Å; N456-F477 PolarHBondContact OD1-N 3.37Å; V475-F477 PolarHBondContact O-N 3.43Å; F477-L482 HydrophobicContact CE2-CD2 3.7Å; F477-L482 HydrophobicContact CZ-CD2 4.15Å; F477-F510 AromaticContact CE1-CE1 3.94Å; F477-F510 HydrophobicContact CE1-CE1 3.94Å; F477-F510 AromaticContact CZ-CE1 3.84Å; F477-F510 HydrophobicContact CZ-CE1 3.84Å; F477-F510 HydrophobicContact CZ-CZ 4.15Å; F477-L511 HydrophobicContact CE1-CD2 4.38Å; F477-Y515 HydrophobicContact CE1-CE2 4.39Å
478	P	96.7	Very high	94.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.249	C	C	.	.	S	Bend	cis	-75.4	142	-6.3	31.9	-35.1	0	0	0	111.6	Q476 L482 C483 W487 L497 L507 F510	Q476-P478 CarbonylContact O-C 3.54Å; P478-L482 HydrophobicContact CB-CB 4.34Å; P478-L482 HydrophobicContact CB-CD2 3.94Å; P478-L482 HydrophobicContact CB-CG 4.38Å; P478-C483 HydrophobicContact CB-CB 4.24Å; P478-C483 HydrophobicContact CG-CB 3.89Å; P478-W487 WeakPolarHBondContact O-CZ2 3.43Å; P478-W487 PolarHBondContact O-NE1 2.9Å; P478-L497 HydrophobicContact CG-CD1 4.42Å; P478-L507 HydrophobicContact CG-CD1 4.08Å; P478-F510 HydrophobicContact CB-CD1 4.07Å; P478-F510 HydrophobicContact CB-CE1 3.49Å; P478-F510 VanDerWaalsContact CB-CE1 3.49Å; P478-F510 HydrophobicContact CB-CE2 4.38Å; P478-F510 HydrophobicContact CB-CZ 3.67Å; P478-F510 HydrophobicContact CG-CD1 3.69Å; P478-F510 HydrophobicContact CG-CE1 3.65Å; P478-F510 HydrophobicContact CG-CG 4.29Å; P478-F510 HydrophobicContact CG-CZ 4.2Å
479	P	94.8	Very high	94.5	Very high	13 Å²	13	49.3 Å²	49.3	8%	0.084	27%	0.271	C	S	.	.			trans	-64.9	157.5	172.4	29	-34.9	0	0	0	111.2	Y247 Y481 L482 C483	Y247-P479 HydrophobicContact CD2-CG 4.5Å; Y247-P479 HydrophobicContact CE2-CG 3.43Å; Y247-P479 VanDerWaalsContact CE2-CG 3.43Å; Y247-P479 WeakPolarHBondContact OH-CD 3.35Å; Y247-P479 WeakPolarHBondContact OH-CG 3.39Å; P479-Y481 VanDerWaalsContact C-N 3.29Å; P479-Y481 HydrophobicContact CB-CD1 3.84Å; P479-Y481 HydrophobicContact CB-CE1 3.57Å; P479-Y481 HydrophobicContact CG-CD1 3.97Å; P479-Y481 HydrophobicContact CG-CE1 3.42Å; P479-Y481 VanDerWaalsContact CG-CE1 3.42Å; P479-Y481 HydrophobicContact CG-CE2 4.14Å; P479-Y481 PolarHBondContact O-N 2.95Å; P479-L482 HydrophobicContact CG-CB 4.04Å; P479-L482 WeakPolarHBondContact O-CB 3.42Å; P479-L482 PolarHBondContact O-N 2.66Å; P479-C483 PolarHBondContact O-N 3.18Å
480	S	95	Very high	94.5	Very high	37 Å²	37	50 Å²	50	26%	0.259	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-38.2	-174.1	-178.7	0	0	0	0	114	L482 C483 P484 W487	S480-L482 PolarHBondContact O-N 3.34Å; S480-C483 CarbonylContact O-C 3.52Å; S480-C483 PolarHBondContact O-N 2.97Å; S480-P484 WeakPolarHBondContact O-CA 3.47Å; S480-P484 WeakPolarHBondContact O-CD 3.5Å; S480-P484 VanDerWaalsContact O-CG 3.26Å; S480-P484 WeakPolarHBondContact O-CG 3.36Å; S480-W487 VanDerWaalsContact CA-CD1 3.49Å; S480-W487 VanDerWaalsContact CA-NE1 3.27Å
481	Y	92.1	Very high	94.5	Very high	97 Å²	97	52.3 Å²	52.3	38%	0.38	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.1	177.5	67.6	-99.1	0	0	0	114	I245 Y247 P479	I245-Y481 PolarHBondContact N-OH 3.43Å; I245-Y481 PolarHBondContact O-OH 3.17Å; Y247-Y481 HydrophobicContact CD2-CE2 4.25Å; Y247-Y481 HydrophobicContact CE2-CE2 4.06Å; Y247-Y481 AromaticContact CE2-CZ 3.77Å; Y247-Y481 WeakPolarHBondContact CE2-OH 3.42Å; P479-Y481 VanDerWaalsContact C-N 3.29Å; P479-Y481 HydrophobicContact CB-CD1 3.84Å; P479-Y481 HydrophobicContact CB-CE1 3.57Å; P479-Y481 HydrophobicContact CG-CD1 3.97Å; P479-Y481 HydrophobicContact CG-CE1 3.42Å; P479-Y481 VanDerWaalsContact CG-CE1 3.42Å; P479-Y481 HydrophobicContact CG-CE2 4.14Å; P479-Y481 PolarHBondContact O-N 2.95Å
482	L	93.6	Very high	94.5	Very high	55 Å²	55	53.4 Å²	53.4	29%	0.288	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-32.7	179.2	-173.9	65.8	0	0	0	111.7	Y247 F477 P478 P479 S480 F510	Y247-L482 HydrophobicContact CD1-CD2 4.36Å; Y247-L482 HydrophobicContact CD2-CB 4.5Å; Y247-L482 HydrophobicContact CD2-CD1 4.19Å; Y247-L482 HydrophobicContact CD2-CD2 3.52Å; Y247-L482 HydrophobicContact CD2-CG 4.29Å; Y247-L482 HydrophobicContact CE2-CD2 3.99Å; Y247-L482 HydrophobicContact CG-CD2 3.69Å; F477-L482 HydrophobicContact CE2-CD2 3.7Å; F477-L482 HydrophobicContact CZ-CD2 4.15Å; P478-L482 HydrophobicContact CB-CB 4.34Å; P478-L482 HydrophobicContact CB-CD2 3.94Å; P478-L482 HydrophobicContact CB-CG 4.38Å; P479-L482 HydrophobicContact CG-CB 4.04Å; P479-L482 WeakPolarHBondContact O-CB 3.42Å; P479-L482 PolarHBondContact O-N 2.66Å; S480-L482 PolarHBondContact O-N 3.34Å; L482-F510 HydrophobicContact CD2-CE2 4.23Å; L482-F510 HydrophobicContact CD2-CZ 3.6Å; L482-F510 HydrophobicContact CG-CE2 3.91Å; L482-F510 HydrophobicContact CG-CZ 3.81Å
483	C	96.2	Very high	94.5	Very high	8 Å²	8	54.9 Å²	54.9	5%	0.054	32%	0.317	C	S	.	.			trans	-143.2	84.3	172.5	-179.7	0	0	0	0	110.3	P478 P479 S480 T485 C486 F510	P478-C483 HydrophobicContact CB-CB 4.24Å; P478-C483 HydrophobicContact CG-CB 3.89Å; P479-C483 PolarHBondContact O-N 3.18Å; S480-C483 CarbonylContact O-C 3.52Å; S480-C483 PolarHBondContact O-N 2.97Å; C483-T485 VanDerWaalsContact C-N 3.26Å; C483-T485 PolarHBondContact O-N 3.46Å; C483-C486 HydrophobicContact CB-CB 3.8Å; C483-C486 WeakPolarHBondContact CB-SG 3.4Å; C483-C486 WeakPolarHBondContact O-CB 3.29Å; C483-C486 PolarHBondContact O-N 3.06Å; C483-C486 VanDerWaalsContact O-N 3.11Å; C483-C486 WeakPolarHBondContact SG-CB 3.27Å; C483-C486 PolarHBondContact SG-N 3.46Å; C483-C486 VanDerWaalsContact SG-N 3.38Å; C483-C486 CovalentContact SG-SG 2.03Å; C483-C486 PolarHBondContact SG-SG 3.16Å; C483-F510 HydrophobicContact CB-CD2 3.74Å; C483-F510 HydrophobicContact CB-CE2 4.1Å; C483-F510 HydrophobicContact CB-CG 4.13Å
484	P	96.7	Very high	94.5	Very high	86 Å²	86	59.2 Å²	59.2	56%	0.558	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-61.5	-34.6	-176.7	-26	34.1	0	0	0	113.2	S480 C486 W487	S480-P484 WeakPolarHBondContact O-CA 3.47Å; S480-P484 WeakPolarHBondContact O-CD 3.5Å; S480-P484 VanDerWaalsContact O-CG 3.26Å; S480-P484 WeakPolarHBondContact O-CG 3.36Å; P484-C486 PolarHBondContact O-N 2.85Å; P484-W487 PolarHBondContact O-N 2.87Å
485	T	98	Very high	94.5	Very high	92 Å²	92	59.6 Å²	59.6	56%	0.564	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-72.1	-13.9	179.5	55.5	0	0	0	0	113.7	C483 W487 S506	C483-T485 VanDerWaalsContact C-N 3.26Å; C483-T485 PolarHBondContact O-N 3.46Å; T485-W487 PolarHBondContact O-N 3.32Å; T485-S506 VanDerWaalsContact O-CB 3.3Å; T485-S506 WeakPolarHBondContact O-CB 3.43Å; T485-S506 PolarHBondContact O-OG 3.44Å
486	C	98.4	Very high	94.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-76	-6.1	174.8	-64.5	0	0	0	0	112.9	C483 P484 L497 G498 L507	C483-C486 HydrophobicContact CB-CB 3.8Å; C483-C486 WeakPolarHBondContact CB-SG 3.4Å; C483-C486 WeakPolarHBondContact O-CB 3.29Å; C483-C486 PolarHBondContact O-N 3.06Å; C483-C486 VanDerWaalsContact O-N 3.11Å; C483-C486 WeakPolarHBondContact SG-CB 3.27Å; C483-C486 PolarHBondContact SG-N 3.46Å; C483-C486 VanDerWaalsContact SG-N 3.38Å; C483-C486 CovalentContact SG-SG 2.03Å; C483-C486 PolarHBondContact SG-SG 3.16Å; P484-C486 PolarHBondContact O-N 2.85Å; C486-L497 HydrophobicContact CB-CD1 3.74Å; C486-G498 PolarHBondContact O-N 2.67Å; C486-L507 HydrophobicContact CB-CB 4.28Å; C486-L507 WeakPolarHBondContact SG-CA 3.18Å
487	W	98	Very high	94.8	Very high	33 Å²	33	57 Å²	57	13%	0.125	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.5	-170.9	-62	75.3	0	0	0	111.7	Q476 P478 S480 P484 T485 L495 E496 L497 T503	Q476-W487 HydrophobicContact CB-CH2 4.07Å; Q476-W487 HydrophobicContact CG-CH2 3.85Å; Q476-W487 HydrophobicContact CG-CZ2 4.37Å; Q476-W487 VanDerWaalsContact OE1-CH2 3.27Å; P478-W487 WeakPolarHBondContact O-CZ2 3.43Å; P478-W487 PolarHBondContact O-NE1 2.9Å; S480-W487 VanDerWaalsContact CA-CD1 3.49Å; S480-W487 VanDerWaalsContact CA-NE1 3.27Å; P484-W487 PolarHBondContact O-N 2.87Å; T485-W487 PolarHBondContact O-N 3.32Å; W487-L495 HydrophobicContact CB-CD2 4.29Å; W487-L495 HydrophobicContact CE3-CB 3.69Å; W487-L495 HydrophobicContact CZ3-CB 4.08Å; W487-E496 WeakPolarHBondContact CA-O 3.36Å; W487-L497 HydrophobicContact CD2-CB 4.11Å; W487-L497 HydrophobicContact CD2-CD1 3.96Å; W487-L497 VanDerWaalsContact CE2-CD1 3.5Å; W487-L497 HydrophobicContact CE3-CB 3.9Å; W487-L497 HydrophobicContact CG-CD1 4.3Å; W487-L497 HydrophobicContact CH2-CB 4.03Å; W487-L497 HydrophobicContact CZ2-CB 4.16Å; W487-L497 HydrophobicContact CZ2-CD1 3.86Å; W487-L497 HydrophobicContact CZ2-CG 4.46Å; W487-L497 HydrophobicContact CZ3-CB 3.88Å; W487-T503 WeakPolarHBondContact O-CG2 3.28Å
488	S	96.5	Very high	94.8	Very high	21 Å²	21	57 Å²	57	15%	0.147	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	161.3	170.5	56.7	0	0	0	0	109.8	L495 E496	S488-L495 CarbonylContact O-C 3.47Å; S488-L495 WeakPolarHBondContact O-CA 3.34Å; S488-E496 PolarHBondContact N-O 2.98Å; S488-E496 PolarHBondContact O-N 3.09Å; S488-E496 PolarHBondContact OG-O 2.93Å
489	H	94.6	Very high	94.8	Very high	137 Å²	137	63.6 Å²	63.6	63%	0.634	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	131.7	170.3	-74	-85.9	0	0	0	109.9	G493 E494 L495	H489-G493 PolarHBondContact ND1-O 2.99Å; H489-E494 CarbonylContact C-O 3.13Å; H489-E494 WeakPolarHBondContact CA-O 3.28Å; H489-L495 VanDerWaalsContact CE1-CD2 3.44Å; H489-L495 WeakPolarHBondContact CE1-CD2 3.25Å
490	S	91.9	Very high	94.9	Very high	19 Å²	19	65.2 Å²	65.2	13%	0.133	37%	0.366	C	S	.	.			trans	-67.3	171	169.5	79.9	0	0	0	0	110.9	T492 G493 E494 E496	S490-T492 PolarHBondContact O-N 3.09Å; S490-T492 PolarHBondContact OG-N 3.06Å; S490-T492 VanDerWaalsContact OG-N 3.15Å; S490-T492 PolarHBondContact OG-OG1 2.98Å; S490-G493 PolarHBondContact O-N 2.68Å; S490-G493 PolarHBondContact OG-N 3.49Å; S490-E494 WeakPolarHBondContact CB-O 3.28Å; S490-E494 PolarHBondContact N-O 2.96Å; S490-E494 PolarHBondContact OG-N 2.82Å; S490-E494 PolarHBondContact OG-O 2.86Å; S490-E496 WeakPolarHBondContact CA-OE2 2.99Å; S490-E496 VanDerWaalsContact CB-OE2 3.27Å; S490-E496 WeakPolarHBondContact CB-OE2 3.49Å
491	S	90.4	Very high	95	Very high	132 Å²	132	68.1 Å²	68.1	92%	0.923	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.4	171.9	60.3	0	0	0	0	114
492	T	91.3	Very high	95.3	Very high	104 Å²	104	69.8 Å²	69.8	64%	0.638	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-1.4	176.2	57.7	0	0	0	0	113	S490 E494	S490-T492 PolarHBondContact O-N 3.09Å; S490-T492 PolarHBondContact OG-N 3.06Å; S490-T492 VanDerWaalsContact OG-N 3.15Å; S490-T492 PolarHBondContact OG-OG1 2.98Å; T492-E494 VanDerWaalsContact C-N 3.35Å
493	G	90	Very high	95.5	Very high	44 Å²	44	67.7 Å²	67.7	45%	0.454	38%	0.384	S	S	.	.	S	Bend	trans	86.7	-1.1	-177.6	0	0	0	0	0	114.6	H489 S490	H489-G493 PolarHBondContact ND1-O 2.99Å; S490-G493 PolarHBondContact O-N 2.68Å; S490-G493 PolarHBondContact OG-N 3.49Å
494	E	92.2	Very high	95.6	Very high	138 Å²	138	70.8 Å²	70.8	65%	0.645	40%	0.398	S	S	*	.			trans	-69.8	142.8	176.8	-66.4	179.4	174.9	0	0	111.2	H489 S490 T492	H489-E494 CarbonylContact C-O 3.13Å; H489-E494 WeakPolarHBondContact CA-O 3.28Å; S490-E494 WeakPolarHBondContact CB-O 3.28Å; S490-E494 PolarHBondContact N-O 2.96Å; S490-E494 PolarHBondContact OG-N 2.82Å; S490-E494 PolarHBondContact OG-O 2.86Å; T492-E494 VanDerWaalsContact C-N 3.35Å
495	L	93.9	Very high	95.7	Very high	77 Å²	77	70.1 Å²	70.1	40%	0.403	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	125.5	177.5	-74.5	173.9	0	0	0	110.8	W487 S488 H489	W487-L495 HydrophobicContact CB-CD2 4.29Å; W487-L495 HydrophobicContact CE3-CB 3.69Å; W487-L495 HydrophobicContact CZ3-CB 4.08Å; S488-L495 CarbonylContact O-C 3.47Å; S488-L495 WeakPolarHBondContact O-CA 3.34Å; H489-L495 VanDerWaalsContact CE1-CD2 3.44Å; H489-L495 WeakPolarHBondContact CE1-CD2 3.25Å
496	E	96.2	Very high	95.7	Very high	66 Å²	66	67.4 Å²	67.4	31%	0.308	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121	177.2	-62.2	-174.8	104.5	0	0	110.6	W487 S488 S490 K499	W487-E496 WeakPolarHBondContact CA-O 3.36Å; S488-E496 PolarHBondContact N-O 2.98Å; S488-E496 PolarHBondContact O-N 3.09Å; S488-E496 PolarHBondContact OG-O 2.93Å; S490-E496 WeakPolarHBondContact CA-OE2 2.99Å; S490-E496 VanDerWaalsContact CB-OE2 3.27Å; S490-E496 WeakPolarHBondContact CB-OE2 3.49Å; E496-K499 HydrophobicContact CB-CB 3.77Å; E496-K499 HydrophobicContact CB-CG 4.13Å
497	L	97.9	Very high	95.7	Very high	24 Å²	24	67.8 Å²	67.8	13%	0.126	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	127.9	178.2	-178.5	74.4	0	0	0	110.8	Q476 P478 C486 W487 K499 L507	Q476-L497 HydrophobicContact CG-CD2 3.93Å; P478-L497 HydrophobicContact CG-CD1 4.42Å; C486-L497 HydrophobicContact CB-CD1 3.74Å; W487-L497 HydrophobicContact CD2-CB 4.11Å; W487-L497 HydrophobicContact CD2-CD1 3.96Å; W487-L497 VanDerWaalsContact CE2-CD1 3.5Å; W487-L497 HydrophobicContact CE3-CB 3.9Å; W487-L497 HydrophobicContact CG-CD1 4.3Å; W487-L497 HydrophobicContact CH2-CB 4.03Å; W487-L497 HydrophobicContact CZ2-CB 4.16Å; W487-L497 HydrophobicContact CZ2-CD1 3.86Å; W487-L497 HydrophobicContact CZ2-CG 4.46Å; W487-L497 HydrophobicContact CZ3-CB 3.88Å; L497-K499 VanDerWaalsContact C-N 3.27Å; L497-K499 PolarHBondContact O-N 2.67Å; L497-L507 HydrophobicContact CD1-CD1 4.21Å; L497-L507 HydrophobicContact CD2-CD1 4.42Å; L497-L507 HydrophobicContact CD2-CD2 4.2Å; L497-L507 HydrophobicContact CG-CD2 4.07Å
498	G	97.2	Very high	95.8	Very high	15 Å²	15	66.3 Å²	66.3	16%	0.155	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	32.3	170.2	0	0	0	0	0	114.5	C486	C486-G498 PolarHBondContact O-N 2.67Å
499	K	95.7	Very high	95.9	Very high	137 Å²	137	69.6 Å²	69.6	60%	0.596	38%	0.382	S	S	*	.			trans	-86.5	-33.5	-170.8	-172.7	63.3	171.6	-174.4	0	114	E496 L497 T503	E496-K499 HydrophobicContact CB-CB 3.77Å; E496-K499 HydrophobicContact CB-CG 4.13Å; L497-K499 VanDerWaalsContact C-N 3.27Å; L497-K499 PolarHBondContact O-N 2.67Å; K499-T503 PolarHBondContact N-OG1 2.77Å
500	T	96.6	Very high	96	Very high	47 Å²	47	65 Å²	65	29%	0.288	36%	0.36	S	S	.	.	S	Bend	trans	-99.6	158.1	174.9	81	0	0	0	0	110.3	E502 T503 E504	T500-E502 VanDerWaalsContact CB-OE2 3.28Å; T500-E502 WeakPolarHBondContact CB-OE2 3.46Å; T500-E502 PolarHBondContact O-N 3.16Å; T500-E502 VanDerWaalsContact O-N 3.16Å; T500-E502 PolarHBondContact OG1-N 2.91Å; T500-E502 PolarHBondContact OG1-OE2 3.27Å; T500-T503 PolarHBondContact N-OG1 2.88Å; T500-T503 PolarHBondContact O-N 2.68Å; T500-T503 VanDerWaalsContact O-N 3.12Å; T500-T503 PolarHBondContact O-OG1 2.88Å; T500-T503 PolarHBondContact OG1-N 2.96Å; T500-T503 PolarHBondContact OG1-OG1 3.36Å; T500-E504 WeakPolarHBondContact O-CB 3.48Å; T500-E504 PolarHBondContact O-N 3.43Å
501	P	97.5	Very high	96.4	Very high	98 Å²	98	64.1 Å²	64.1	64%	0.636	35%	0.354	S	S	*	.	H	α-helix	trans	-51.3	-39.4	176.6	-28.1	36.4	0	0	0	113.9	E505	P501-E505 WeakPolarHBondContact O-CB 3.48Å; P501-E505 PolarHBondContact O-N 2.95Å
502	E	98	Very high	96.7	Very high	132 Å²	132	58.2 Å²	58.2	62%	0.617	31%	0.312	S	S	*	.	H	α-helix	trans	-70.6	-41	-179.4	-53.6	74.1	-159.7	0	0	112.3	T500 S506	T500-E502 VanDerWaalsContact CB-OE2 3.28Å; T500-E502 WeakPolarHBondContact CB-OE2 3.46Å; T500-E502 PolarHBondContact O-N 3.16Å; T500-E502 VanDerWaalsContact O-N 3.16Å; T500-E502 PolarHBondContact OG1-N 2.91Å; T500-E502 PolarHBondContact OG1-OE2 3.27Å; E502-S506 WeakPolarHBondContact O-CB 3.39Å; E502-S506 PolarHBondContact O-N 3.08Å; E502-S506 PolarHBondContact O-OG 2.92Å
503	T	98.3	Very high	97	Very high	11 Å²	11	58 Å²	58	7%	0.067	30%	0.304	C	S	.	.	H	α-helix	trans	-74.2	-34.1	178.3	58.8	0	0	0	0	112.1	W487 K499 T500 S506 L507	W487-T503 WeakPolarHBondContact O-CG2 3.28Å; K499-T503 PolarHBondContact N-OG1 2.77Å; T500-T503 PolarHBondContact N-OG1 2.88Å; T500-T503 PolarHBondContact O-N 2.68Å; T500-T503 VanDerWaalsContact O-N 3.12Å; T500-T503 PolarHBondContact O-OG1 2.88Å; T500-T503 PolarHBondContact OG1-N 2.96Å; T500-T503 PolarHBondContact OG1-OG1 3.36Å; T503-S506 PolarHBondContact O-N 3.3Å; T503-L507 WeakPolarHBondContact O-CB 3.46Å; T503-L507 PolarHBondContact O-N 2.98Å
504	E	98.3	Very high	97.3	Very high	73 Å²	73	58.2 Å²	58.2	34%	0.341	29%	0.291	S	S	.	.	H	α-helix	trans	-65.2	-43.3	172.5	-169.8	-169.2	94.3	0	0	110.6	R445 L449 T500 L507 F508	R445-E504 IonicContact CZ-OE1 3.47Å; R445-E504 IonicContact NH1-OE1 3.6Å; R445-E504 PolarHBondContact NH1-OE1 3.49Å; R445-E504 IonicContact NH2-OE1 3.82Å; R445-E504 PolarHBondContact NH2-OE1 3.41Å; L449-E504 HydrophobicContact CD1-CG 3.73Å; L449-E504 HydrophobicContact CD2-CG 4.36Å; T500-E504 WeakPolarHBondContact O-CB 3.48Å; T500-E504 PolarHBondContact O-N 3.43Å; E504-L507 WeakPolarHBondContact O-CB 3.43Å; E504-L507 PolarHBondContact O-N 3.47Å; E504-F508 WeakPolarHBondContact O-CB 3.32Å; E504-F508 PolarHBondContact O-N 3.31Å
505	E	98.5	Very high	97.5	Very high	72 Å²	72	52.2 Å²	52.2	34%	0.336	26%	0.263	S	S	.	.	H	α-helix	trans	-64.1	-42.4	175.5	-174.7	54.9	-151.8	0	0	111.7	R445 P501 L507 F508 Q509	R445-E505 IonicContact CZ-OE2 3.34Å; R445-E505 IonicContact NE-OE2 2.74Å; R445-E505 IonicContact NH2-OE2 3.73Å; R445-E505 PolarHBondContact NH2-OE2 3.18Å; P501-E505 WeakPolarHBondContact O-CB 3.48Å; P501-E505 PolarHBondContact O-N 2.95Å; E505-L507 VanDerWaalsContact C-N 3.32Å; E505-L507 PolarHBondContact O-N 2.87Å; E505-F508 WeakPolarHBondContact O-CB 3.3Å; E505-F508 PolarHBondContact O-N 3.43Å; E505-Q509 WeakPolarHBondContact O-CG 3.06Å; E505-Q509 PolarHBondContact O-N 3.45Å; E505-Q509 PolarHBondContact OE1-NE2 3.32Å
506	S	98.6	Very high	97.6	Very high	35 Å²	35	52.4 Å²	52.4	25%	0.245	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-41.3	173.9	-64.2	0	0	0	0	112.3	T485 E502 T503 F510	T485-S506 VanDerWaalsContact O-CB 3.3Å; T485-S506 WeakPolarHBondContact O-CB 3.43Å; T485-S506 PolarHBondContact O-OG 3.44Å; E502-S506 WeakPolarHBondContact O-CB 3.39Å; E502-S506 PolarHBondContact O-N 3.08Å; E502-S506 PolarHBondContact O-OG 2.92Å; T503-S506 PolarHBondContact O-N 3.3Å; S506-F510 VanDerWaalsContact O-CB 3.31Å; S506-F510 WeakPolarHBondContact O-CB 3.38Å; S506-F510 PolarHBondContact O-N 3.3Å
507	L	98.7	Very high	97.5	Very high	9 Å²	9	49.7 Å²	49.7	5%	0.047	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-47.6	174.5	173.8	60.6	0	0	0	111.5	L449 P478 C486 L497 T503 E504 E505 F510 L511	L449-L507 HydrophobicContact CD2-CD2 3.97Å; L449-L507 HydrophobicContact CD2-CG 3.98Å; P478-L507 HydrophobicContact CG-CD1 4.08Å; C486-L507 HydrophobicContact CB-CB 4.28Å; C486-L507 WeakPolarHBondContact SG-CA 3.18Å; L497-L507 HydrophobicContact CD1-CD1 4.21Å; L497-L507 HydrophobicContact CD2-CD1 4.42Å; L497-L507 HydrophobicContact CD2-CD2 4.2Å; L497-L507 HydrophobicContact CG-CD2 4.07Å; T503-L507 WeakPolarHBondContact O-CB 3.46Å; T503-L507 PolarHBondContact O-N 2.98Å; E504-L507 WeakPolarHBondContact O-CB 3.43Å; E504-L507 PolarHBondContact O-N 3.47Å; E505-L507 VanDerWaalsContact C-N 3.32Å; E505-L507 PolarHBondContact O-N 2.87Å; L507-F510 PolarHBondContact O-N 3Å; L507-L511 HydrophobicContact CD1-CD1 3.93Å; L507-L511 HydrophobicContact CD1-CG 4.08Å; L507-L511 HydrophobicContact CG-CD1 4.03Å; L507-L511 VanDerWaalsContact O-CG 3.28Å; L507-L511 WeakPolarHBondContact O-CG 3.3Å; L507-L511 PolarHBondContact O-N 3.4Å
508	F	98.7	Very high	97.2	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.009	27%	0.267	C	S	.	.	H	α-helix	trans	-57.3	-51.8	178	175.2	-110.6	0	0	0	111.4	Y365 R445 V448 L449 E504 E505 F510 L511 V512	Y365-F508 AromaticContact CD1-CZ 3.81Å; Y365-F508 HydrophobicContact CD1-CZ 3.81Å; Y365-F508 HydrophobicContact CD2-CE2 4.45Å; Y365-F508 AromaticContact CD2-CZ 3.81Å; Y365-F508 HydrophobicContact CD2-CZ 3.81Å; Y365-F508 HydrophobicContact CE1-CE1 4.07Å; Y365-F508 AromaticContact CE1-CZ 3.54Å; Y365-F508 HydrophobicContact CE1-CZ 3.54Å; Y365-F508 HydrophobicContact CE2-CE1 4.17Å; Y365-F508 AromaticContact CE2-CZ 3.54Å; Y365-F508 HydrophobicContact CE2-CZ 3.54Å; Y365-F508 HydrophobicContact CG-CE2 4.42Å; Y365-F508 AromaticContact CG-CZ 3.93Å; Y365-F508 HydrophobicContact CG-CZ 3.93Å; Y365-F508 AromaticContact CZ-CE1 3.75Å; Y365-F508 AromaticContact CZ-CZ 3.4Å; R445-F508 HydrophobicContact CB-CE2 4.14Å; R445-F508 HydrophobicContact CB-CZ 4.26Å; R445-F508 HydrophobicContact CG-CD1 4.38Å; R445-F508 HydrophobicContact CG-CD2 3.78Å; R445-F508 HydrophobicContact CG-CE1 4.2Å; R445-F508 HydrophobicContact CG-CE2 3.6Å; R445-F508 HydrophobicContact CG-CG 4.17Å; R445-F508 HydrophobicContact CG-CZ 3.81Å; V448-F508 HydrophobicContact CB-CD2 4.25Å; V448-F508 HydrophobicContact CB-CE2 4.02Å; V448-F508 HydrophobicContact CG1-CD2 4.17Å; V448-F508 HydrophobicContact CG1-CE2 4.21Å; V448-F508 HydrophobicContact CG2-CE2 4.17Å; L449-F508 HydrophobicContact CD2-CB 4.08Å; L449-F508 HydrophobicContact CG-CB 4.48Å; L449-F508 HydrophobicContact CG-CD2 4.34Å; E504-F508 WeakPolarHBondContact O-CB 3.32Å; E504-F508 PolarHBondContact O-N 3.31Å; E505-F508 WeakPolarHBondContact O-CB 3.3Å; E505-F508 PolarHBondContact O-N 3.43Å; F508-F510 VanDerWaalsContact C-N 3.33Å; F508-F510 PolarHBondContact O-N 2.94Å; F508-L511 PolarHBondContact O-N 3.26Å; F508-L511 VanDerWaalsContact O-N 3.16Å; F508-V512 HydrophobicContact CD2-CG2 4.23Å; F508-V512 HydrophobicContact CE1-CG2 4.06Å; F508-V512 HydrophobicContact CE2-CG2 3.67Å; F508-V512 HydrophobicContact CZ-CG2 3.57Å; F508-V512 WeakPolarHBondContact O-CG2 3.5Å; F508-V512 PolarHBondContact O-N 3.03Å
509	Q	98.5	Very high	97.1	Very high	90 Å²	90	53.1 Å²	53.1	42%	0.421	27%	0.27	S	S	.	.	H	α-helix	trans	-61.3	-40.6	178.7	-65.9	-58.4	-31.5	0	0	112.3	E505 L511 V512 E513	E505-Q509 WeakPolarHBondContact O-CG 3.06Å; E505-Q509 PolarHBondContact O-N 3.45Å; E505-Q509 PolarHBondContact OE1-NE2 3.32Å; Q509-L511 VanDerWaalsContact C-N 3.33Å; Q509-L511 PolarHBondContact O-N 3.42Å; Q509-V512 PolarHBondContact O-N 3.32Å; Q509-E513 WeakPolarHBondContact O-CB 3.25Å; Q509-E513 PolarHBondContact O-N 2.89Å
510	F	98.5	Very high	97	Very high	41 Å²	41	47.1 Å²	47.1	18%	0.18	24%	0.244	C	C	.	.	H	α-helix	trans	-58.7	-44.6	175.1	173.5	-87.2	0	0	0	112	F477 P478 L482 C483 S506 L507 F508 R514	F477-F510 AromaticContact CE1-CE1 3.94Å; F477-F510 HydrophobicContact CE1-CE1 3.94Å; F477-F510 AromaticContact CZ-CE1 3.84Å; F477-F510 HydrophobicContact CZ-CE1 3.84Å; F477-F510 HydrophobicContact CZ-CZ 4.15Å; P478-F510 HydrophobicContact CB-CD1 4.07Å; P478-F510 HydrophobicContact CB-CE1 3.49Å; P478-F510 VanDerWaalsContact CB-CE1 3.49Å; P478-F510 HydrophobicContact CB-CE2 4.38Å; P478-F510 HydrophobicContact CB-CZ 3.67Å; P478-F510 HydrophobicContact CG-CD1 3.69Å; P478-F510 HydrophobicContact CG-CE1 3.65Å; P478-F510 HydrophobicContact CG-CG 4.29Å; P478-F510 HydrophobicContact CG-CZ 4.2Å; L482-F510 HydrophobicContact CD2-CE2 4.23Å; L482-F510 HydrophobicContact CD2-CZ 3.6Å; L482-F510 HydrophobicContact CG-CE2 3.91Å; L482-F510 HydrophobicContact CG-CZ 3.81Å; C483-F510 HydrophobicContact CB-CD2 3.74Å; C483-F510 HydrophobicContact CB-CE2 4.1Å; C483-F510 HydrophobicContact CB-CG 4.13Å; S506-F510 VanDerWaalsContact O-CB 3.31Å; S506-F510 WeakPolarHBondContact O-CB 3.38Å; S506-F510 PolarHBondContact O-N 3.3Å; L507-F510 PolarHBondContact O-N 3Å; F508-F510 VanDerWaalsContact C-N 3.33Å; F508-F510 PolarHBondContact O-N 2.94Å; F510-R514 VanDerWaalsContact O-CB 3.26Å; F510-R514 WeakPolarHBondContact O-CB 3.35Å; F510-R514 PolarHBondContact O-N 3.48Å
511	L	98.6	Very high	96.9	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.1	-45.5	179.9	-67.1	168.9	0	0	0	111.3	V448 L449 N452 F477 L507 F508 Q509 E513 R514 Y515	V448-L511 HydrophobicContact CG1-CB 3.76Å; V448-L511 HydrophobicContact CG1-CD1 3.99Å; L449-L511 HydrophobicContact CD2-CD1 4.33Å; N452-L511 HydrophobicContact CB-CD1 3.67Å; N452-L511 HydrophobicContact CB-CD2 4.46Å; F477-L511 HydrophobicContact CE1-CD2 4.38Å; L507-L511 HydrophobicContact CD1-CD1 3.93Å; L507-L511 HydrophobicContact CD1-CG 4.08Å; L507-L511 HydrophobicContact CG-CD1 4.03Å; L507-L511 VanDerWaalsContact O-CG 3.28Å; L507-L511 WeakPolarHBondContact O-CG 3.3Å; L507-L511 PolarHBondContact O-N 3.4Å; F508-L511 PolarHBondContact O-N 3.26Å; F508-L511 VanDerWaalsContact O-N 3.16Å; Q509-L511 VanDerWaalsContact C-N 3.33Å; Q509-L511 PolarHBondContact O-N 3.42Å; L511-E513 PolarHBondContact O-N 3.48Å; L511-R514 PolarHBondContact O-N 2.85Å; L511-Y515 HydrophobicContact CD2-CD2 4.37Å; L511-Y515 HydrophobicContact CD2-CE2 3.97Å; L511-Y515 VanDerWaalsContact O-CD2 3.32Å; L511-Y515 WeakPolarHBondContact O-CD2 3.3Å; L511-Y515 PolarHBondContact O-N 2.83Å
512	V	98.2	Very high	96.6	Very high	8 Å²	8	47.1 Å²	47.1	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-57.9	-50.4	176.4	172	0	0	0	0	110.7	V362 Y365 L366 F508 Q509 R514 Y515 R516	V362-V512 HydrophobicContact CG1-CB 4.42Å; V362-V512 HydrophobicContact CG1-CG1 4.17Å; V362-V512 HydrophobicContact CG2-CG2 4.45Å; Y365-V512 HydrophobicContact CD1-CG2 3.95Å; Y365-V512 HydrophobicContact CE1-CG1 4.41Å; Y365-V512 HydrophobicContact CE1-CG2 4.05Å; L366-V512 HydrophobicContact CD2-CG1 4.22Å; F508-V512 HydrophobicContact CD2-CG2 4.23Å; F508-V512 HydrophobicContact CE1-CG2 4.06Å; F508-V512 HydrophobicContact CE2-CG2 3.67Å; F508-V512 HydrophobicContact CZ-CG2 3.57Å; F508-V512 WeakPolarHBondContact O-CG2 3.5Å; F508-V512 PolarHBondContact O-N 3.03Å; Q509-V512 PolarHBondContact O-N 3.32Å; V512-R514 VanDerWaalsContact C-N 3.31Å; V512-R514 PolarHBondContact O-N 3.21Å; V512-Y515 PolarHBondContact O-N 3.38Å; V512-R516 VanDerWaalsContact O-CB 3.25Å; V512-R516 WeakPolarHBondContact O-CB 3.44Å; V512-R516 WeakPolarHBondContact O-CG 3.41Å; V512-R516 PolarHBondContact O-N 3.25Å
513	E	97	Very high	96.1	Very high	99 Å²	99	43.9 Å²	43.9	46%	0.463	22%	0.218	S	C	.	.	H	α-helix	trans	-66	-34.3	-178.1	-174.3	50.1	-137.7	0	0	112.7	Q509 L511 R516 S519	Q509-E513 WeakPolarHBondContact O-CB 3.25Å; Q509-E513 PolarHBondContact O-N 2.89Å; L511-E513 PolarHBondContact O-N 3.48Å; E513-R516 WeakPolarHBondContact OE2-CD 3.36Å; E513-R516 IonicContact OE2-NH1 2.79Å; E513-R516 PolarHBondContact OE2-NH1 3.19Å; E513-S519 WeakPolarHBondContact O-CB 3.36Å; E513-S519 PolarHBondContact O-OG 3.47Å; E513-S519 VanDerWaalsContact O-OG 3.11Å; E513-S519 PolarHBondContact OE1-OG 2.93Å
514	R	96.3	Very high	95.3	Very high	49 Å²	49	50 Å²	50	19%	0.185	25%	0.251	C	S	.	.	H	α-helix	trans	-70.6	-42.5	177.8	178.6	173.8	177.8	75.6	7	112.9	P248 V250 F510 L511 V512	P248-R514 PolarHBondContact O-NH1 2.91Å; P248-R514 VanDerWaalsContact O-NH1 3.14Å; P248-R514 PolarHBondContact O-NH2 3.29Å; V250-R514 HydrophobicContact CG2-CG 4.4Å; V250-R514 WeakPolarHBondContact CG2-O 3.4Å; F510-R514 VanDerWaalsContact O-CB 3.26Å; F510-R514 WeakPolarHBondContact O-CB 3.35Å; F510-R514 PolarHBondContact O-N 3.48Å; L511-R514 PolarHBondContact O-N 2.85Å; V512-R514 VanDerWaalsContact C-N 3.31Å; V512-R514 PolarHBondContact O-N 3.21Å
515	Y	97.4	Very high	94.8	Very high	11 Å²	11	47.2 Å²	47.2	4%	0.043	24%	0.238	C	C	.	.	H	α-helix	trans	-104.3	-7.3	-167.2	-68.1	-74	0	0	0	114.7	V250 T355 H358 F477 L511 V512 W520	V250-Y515 HydrophobicContact CG2-CD1 3.66Å; V250-Y515 HydrophobicContact CG2-CE1 3.9Å; T355-Y515 HydrophobicContact CG2-CE1 4.34Å; H358-Y515 HydrophobicContact CB-CD1 3.44Å; H358-Y515 VanDerWaalsContact CB-CD1 3.44Å; H358-Y515 HydrophobicContact CB-CD2 3.71Å; H358-Y515 HydrophobicContact CB-CE1 3.46Å; H358-Y515 VanDerWaalsContact CB-CE1 3.46Å; H358-Y515 HydrophobicContact CB-CE2 3.74Å; H358-Y515 HydrophobicContact CB-CG 3.57Å; H358-Y515 AromaticContact CD2-CZ 3.9Å; H358-Y515 AromaticContact CG-CE1 4Å; H358-Y515 AromaticContact CG-CE2 3.78Å; H358-Y515 AromaticContact CG-CZ 3.67Å; F477-Y515 HydrophobicContact CE1-CE2 4.39Å; L511-Y515 HydrophobicContact CD2-CD2 4.37Å; L511-Y515 HydrophobicContact CD2-CE2 3.97Å; L511-Y515 VanDerWaalsContact O-CD2 3.32Å; L511-Y515 WeakPolarHBondContact O-CD2 3.3Å; L511-Y515 PolarHBondContact O-N 2.83Å; V512-Y515 PolarHBondContact O-N 3.38Å; Y515-W520 PolarHBondContact O-NE1 3.48Å
516	R	95.5	Very high	94.4	Very high	82 Å²	82	46.9 Å²	46.9	31%	0.309	24%	0.242	S	C	.	.	S	Bend	trans	-60.9	141.1	170.6	65.7	-174	-59.1	166.8	7.6	112	V362 L366 V512 E513 S518 S519 W520	V362-R516 HydrophobicContact CG1-CB 4.04Å; L366-R516 HydrophobicContact CD1-CB 3.92Å; V512-R516 VanDerWaalsContact O-CB 3.25Å; V512-R516 WeakPolarHBondContact O-CB 3.44Å; V512-R516 WeakPolarHBondContact O-CG 3.41Å; V512-R516 PolarHBondContact O-N 3.25Å; E513-R516 WeakPolarHBondContact OE2-CD 3.36Å; E513-R516 IonicContact OE2-NH1 2.79Å; E513-R516 PolarHBondContact OE2-NH1 3.19Å; R516-S518 VanDerWaalsContact C-N 3.26Å; R516-S518 WeakPolarHBondContact CD-OG 3.38Å; R516-S518 PolarHBondContact NE-OG 3.21Å; R516-S518 PolarHBondContact O-N 3.04Å; R516-S519 VanDerWaalsContact CG-OG 3.27Å; R516-S519 WeakPolarHBondContact CG-OG 3.31Å; R516-S519 PolarHBondContact O-N 3.04Å; R516-W520 PolarHBondContact O-NE1 3.38Å; R516-W520 VanDerWaalsContact O-NE1 3.16Å
517	A	93.9	Very high	94	Very high	9 Å²	9	50.2 Å²	50.2	7%	0.074	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-54.6	-38.9	-176.4	0	0	0	0	0	114	P293 E363 S519 W520 Y522	P293-A517 HydrophobicContact CB-CB 3.43Å; P293-A517 VanDerWaalsContact CB-CB 3.43Å; P293-A517 HydrophobicContact CG-CB 3.72Å; E363-A517 WeakPolarHBondContact OE1-CB 3.43Å; E363-A517 PolarHBondContact OE1-N 3.37Å; A517-S519 PolarHBondContact O-N 3.22Å; A517-S519 VanDerWaalsContact O-N 3.08Å; A517-W520 HydrophobicContact CB-CD2 4.47Å; A517-W520 HydrophobicContact CB-CZ2 4.33Å; A517-W520 WeakPolarHBondContact O-CB 3.49Å; A517-W520 PolarHBondContact O-N 3.03Å; A517-Y522 WeakPolarHBondContact O-CE2 3.39Å; A517-Y522 PolarHBondContact O-OH 3.32Å; A517-Y522 VanDerWaalsContact O-OH 3.09Å
518	S	92	Very high	93.7	Very high	77 Å²	77	50.6 Å²	50.6	54%	0.538	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-62.3	-17.7	179.4	58.2	0	0	0	0	114.3	R516	R516-S518 VanDerWaalsContact C-N 3.26Å; R516-S518 WeakPolarHBondContact CD-OG 3.38Å; R516-S518 PolarHBondContact NE-OG 3.21Å; R516-S518 PolarHBondContact O-N 3.04Å
519	S	93.3	Very high	93.4	Very high	33 Å²	33	50.8 Å²	50.8	23%	0.231	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-99.3	-0.3	-179.9	-56.5	0	0	0	0	112.5	E513 R516 A517	E513-S519 WeakPolarHBondContact O-CB 3.36Å; E513-S519 PolarHBondContact O-OG 3.47Å; E513-S519 VanDerWaalsContact O-OG 3.11Å; E513-S519 PolarHBondContact OE1-OG 2.93Å; R516-S519 VanDerWaalsContact CG-OG 3.27Å; R516-S519 WeakPolarHBondContact CG-OG 3.31Å; R516-S519 PolarHBondContact O-N 3.04Å; A517-S519 PolarHBondContact O-N 3.22Å; A517-S519 VanDerWaalsContact O-N 3.08Å
520	W	94.7	Very high	92.8	Very high	11 Å²	11	47.2 Å²	47.2	4%	0.042	25%	0.248	C	C	.	.	S	Bend	trans	-76.3	157.7	177.7	-59.5	1.2	0	0	0	112.2	V250 A252 V255 P293 A359 Y515 R516 A517 Y522	V250-W520 HydrophobicContact CB-CG 4.15Å; V250-W520 HydrophobicContact CG1-CB 4.46Å; V250-W520 VanDerWaalsContact CG1-CD1 3.48Å; V250-W520 HydrophobicContact CG1-CD2 3.99Å; V250-W520 HydrophobicContact CG1-CG 3.72Å; V250-W520 CarbonylContact O-C 3.58Å; V250-W520 VanDerWaalsContact O-CA 3.3Å; V250-W520 WeakPolarHBondContact O-CA 3.49Å; A252-W520 HydrophobicContact CB-CE3 3.92Å; V255-W520 HydrophobicContact CG1-CH2 4.45Å; P293-W520 HydrophobicContact CB-CH2 4.03Å; P293-W520 HydrophobicContact CB-CZ3 4.26Å; P293-W520 HydrophobicContact CG-CH2 3.78Å; P293-W520 HydrophobicContact CG-CZ2 4.26Å; P293-W520 HydrophobicContact CG-CZ3 4.49Å; A359-W520 HydrophobicContact CB-CH2 3.96Å; A359-W520 HydrophobicContact CB-CZ2 3.4Å; A359-W520 VanDerWaalsContact CB-CZ2 3.4Å; Y515-W520 PolarHBondContact O-NE1 3.48Å; R516-W520 PolarHBondContact O-NE1 3.38Å; R516-W520 VanDerWaalsContact O-NE1 3.16Å; A517-W520 HydrophobicContact CB-CD2 4.47Å; A517-W520 HydrophobicContact CB-CZ2 4.33Å; A517-W520 WeakPolarHBondContact O-CB 3.49Å; A517-W520 PolarHBondContact O-N 3.03Å; W520-Y522 HydrophobicContact CB-CD2 4.39Å; W520-Y522 HydrophobicContact CB-CE2 3.77Å; W520-Y522 HydrophobicContact CE3-CE1 4.25Å; W520-Y522 AromaticContact CE3-CZ 3.96Å
521	K	94	Very high	91.9	Very high	108 Å²	108	46.5 Å²	46.5	47%	0.47	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-96.1	123.1	167.7	-62	-58.8	-175.5	-179.7	0	110.1	P249 V250 Y251 A252 V523	P249-K521 HydrophobicContact CB-CG 4.13Å; P249-K521 HydrophobicContact CG-CG 3.68Å; V250-K521 PolarHBondContact O-N 2.79Å; Y251-K521 HydrophobicContact CD1-CB 3.73Å; Y251-K521 HydrophobicContact CE1-CB 3.79Å; Y251-K521 HydrophobicContact CE1-CG 4.32Å; Y251-K521 HydrophobicContact CG-CB 4.19Å; A252-K521 PolarHBondContact N-O 3.43Å; K521-V523 HydrophobicContact CB-CG2 4.46Å
522	Y	91.1	Very high	90.3	Very high	37 Å²	37	52.4 Å²	52.4	15%	0.145	28%	0.279	C	S	.	.			trans	-105.7	65.4	179.9	-64.4	-90.9	0	0	0	110.4	A252 A517 W520 L525 I530 V534	A252-Y522 HydrophobicContact CB-CD1 3.56Å; A252-Y522 HydrophobicContact CB-CE1 3.65Å; A252-Y522 HydrophobicContact CB-CG 4.25Å; A517-Y522 WeakPolarHBondContact O-CE2 3.39Å; A517-Y522 PolarHBondContact O-OH 3.32Å; A517-Y522 VanDerWaalsContact O-OH 3.09Å; W520-Y522 HydrophobicContact CB-CD2 4.39Å; W520-Y522 HydrophobicContact CB-CE2 3.77Å; W520-Y522 HydrophobicContact CE3-CE1 4.25Å; W520-Y522 AromaticContact CE3-CZ 3.96Å; Y522-L525 HydrophobicContact CD1-CD2 4.03Å; Y522-I530 HydrophobicContact CD1-CG1 4.15Å; Y522-I530 HydrophobicContact CD1-CG2 4.35Å; Y522-V534 HydrophobicContact CD2-CG1 3.83Å; Y522-V534 HydrophobicContact CE2-CB 4.27Å; Y522-V534 HydrophobicContact CE2-CG1 3.79Å; Y522-V534 HydrophobicContact CE2-CG2 3.69Å; Y522-V534 HydrophobicContact CG-CG1 4.49Å
523	V	87.4	Confident	88.3	Confident	64 Å²	64	56.4 Å²	56.4	39%	0.388	31%	0.313	S	S	.	.			trans	-92.9	134.3	178.7	-178.2	0	0	0	0	108.9	Y251 V253 K521 L525	Y251-V523 HydrophobicContact CE1-CG2 4.3Å; V253-V523 WeakPolarHBondContact CG2-O 3.48Å; K521-V523 HydrophobicContact CB-CG2 4.46Å; V523-L525 PolarHBondContact O-N 3.25Å
524	D	81.8	Confident	86.5	Confident	140 Å²	140	53.2 Å²	53.2	75%	0.749	30%	0.3	S	S	*	.	S	Bend	trans	49.2	32.7	174	-57.2	-34.3	0	0	0	114.9
525	L	88.1	Confident	84.3	Confident	15 Å²	15	58.8 Å²	58.8	8%	0.079	33%	0.328	C	S	.	.			trans	-102.8	125.9	-180	-166.9	71.2	0	0	0	109.8	A252 V253 Y256 Y332 Y522 V523 F529 I530	A252-L525 HydrophobicContact CB-CD2 3.72Å; V253-L525 HydrophobicContact CG2-CB 4.39Å; V253-L525 HydrophobicContact CG2-CD1 4.06Å; Y256-L525 HydrophobicContact CD2-CD1 4.31Å; Y256-L525 HydrophobicContact CD2-CD2 3.83Å; Y256-L525 HydrophobicContact CE2-CD2 4.1Å; Y332-L525 HydrophobicContact CD2-CD1 3.78Å; Y332-L525 HydrophobicContact CE2-CD1 3.87Å; Y332-L525 HydrophobicContact CG-CD1 4.48Å; Y522-L525 HydrophobicContact CD1-CD2 4.03Å; V523-L525 PolarHBondContact O-N 3.25Å; L525-F529 HydrophobicContact CD1-CB 4.01Å; L525-F529 HydrophobicContact CD1-CD2 3.98Å; L525-F529 HydrophobicContact CD1-CG 4.15Å; L525-F529 HydrophobicContact CD2-CB 3.59Å; L525-F529 HydrophobicContact CG-CB 3.72Å; L525-F529 HydrophobicContact CG-CD2 4.19Å; L525-F529 HydrophobicContact CG-CG 4.3Å; L525-I530 HydrophobicContact CD2-CG1 4.08Å; L525-I530 HydrophobicContact CG-CG1 4.46Å; L525-I530 WeakPolarHBondContact O-CD1 3.47Å
526	P	90.7	Very high	82.1	Confident	64 Å²	64	62.9 Å²	62.9	42%	0.416	35%	0.35	S	S	.	.			trans	-58.1	147.8	174.9	-26.1	34.6	0	0	0	112.6	V528 F529	P526-V528 HydrophobicContact CB-CG1 4.25Å; P526-V528 PolarHBondContact O-N 2.91Å; P526-V528 VanDerWaalsContact O-N 3.12Å; P526-F529 HydrophobicContact CB-CD2 3.92Å; P526-F529 HydrophobicContact CB-CE2 4.07Å; P526-F529 HydrophobicContact CG-CD2 4.12Å; P526-F529 HydrophobicContact CG-CE2 4.01Å; P526-F529 PolarHBondContact O-N 3.32Å
527	T	89.7	Confident	79.9	Confident	105 Å²	105	68.1 Å²	68.1	64%	0.644	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-57.9	-30.3	-175	50.2	0	0	0	0	113.6	F529 I530	T527-F529 PolarHBondContact O-N 3.01Å; T527-F529 VanDerWaalsContact O-N 3.09Å; T527-I530 PolarHBondContact O-N 3.38Å
528	V	92.2	Very high	77.5	Confident	18 Å²	18	72.6 Å²	72.6	11%	0.109	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-56.8	-25.5	175.8	69.9	0	0	0	0	112.4	S295 E297 Y298 P330 P526	S295-V528 WeakPolarHBondContact CB-O 3.45Å; S295-V528 PolarHBondContact OG-O 3.44Å; E297-V528 HydrophobicContact CB-CG2 4.33Å; E297-V528 HydrophobicContact CG-CG2 3.98Å; Y298-V528 WeakPolarHBondContact CB-O 3.38Å; Y298-V528 HydrophobicContact CD2-CG2 4.46Å; P330-V528 HydrophobicContact CB-CG1 3.92Å; P330-V528 HydrophobicContact CB-CG2 3.99Å; P330-V528 HydrophobicContact CG-CG2 3.89Å; P526-V528 HydrophobicContact CB-CG1 4.25Å; P526-V528 PolarHBondContact O-N 2.91Å; P526-V528 VanDerWaalsContact O-N 3.12Å
529	F	92.1	Very high	75.3	Confident	6 Å²	6	77.7 Å²	77.7	3%	0.026	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-95.3	-8	178.3	-56	-77.6	0	0	0	113.8	Y256 Y298 P330 Y332 L525 P526 T527	Y256-F529 HydrophobicContact CD1-CB 4.24Å; Y256-F529 AromaticContact CD1-CD1 3.41Å; Y256-F529 HydrophobicContact CD1-CD1 3.41Å; Y256-F529 VanDerWaalsContact CD1-CD1 3.41Å; Y256-F529 HydrophobicContact CD1-CE1 4.14Å; Y256-F529 HydrophobicContact CD1-CG 4.19Å; Y256-F529 HydrophobicContact CD2-CB 3.88Å; Y256-F529 HydrophobicContact CD2-CD1 4.41Å; Y256-F529 HydrophobicContact CD2-CG 4.43Å; Y256-F529 HydrophobicContact CE1-CB 4.21Å; Y256-F529 AromaticContact CE1-CD1 3.83Å; Y256-F529 HydrophobicContact CE1-CD1 3.83Å; Y256-F529 HydrophobicContact CE2-CB 3.87Å; Y256-F529 VanDerWaalsContact CE2-O 3.28Å; Y256-F529 WeakPolarHBondContact CE2-O 3.43Å; Y256-F529 HydrophobicContact CG-CB 4.08Å; Y256-F529 AromaticContact CG-CD1 3.74Å; Y256-F529 HydrophobicContact CG-CD1 3.74Å; Y256-F529 HydrophobicContact CG-CG 4.14Å; Y256-F529 VanDerWaalsContact CZ-O 3.28Å; Y256-F529 PolarHBondContact OH-O 2.97Å; Y256-F529 VanDerWaalsContact OH-O 3.06Å; Y298-F529 AromaticContact CD2-CD1 3.88Å; Y298-F529 HydrophobicContact CD2-CD1 3.88Å; Y298-F529 HydrophobicContact CD2-CE1 4.01Å; Y298-F529 AromaticContact CE2-CD1 3.71Å; Y298-F529 HydrophobicContact CE2-CD1 3.71Å; Y298-F529 AromaticContact CE2-CE1 3.5Å; Y298-F529 HydrophobicContact CE2-CE1 3.5Å; P330-F529 HydrophobicContact CB-CE1 4.28Å; P330-F529 HydrophobicContact CB-CZ 4.07Å; P330-F529 WeakPolarHBondContact O-CE1 3.43Å; Y332-F529 HydrophobicContact CD2-CE2 4.15Å; L525-F529 HydrophobicContact CD1-CB 4.01Å; L525-F529 HydrophobicContact CD1-CD2 3.98Å; L525-F529 HydrophobicContact CD1-CG 4.15Å; L525-F529 HydrophobicContact CD2-CB 3.59Å; L525-F529 HydrophobicContact CG-CB 3.72Å; L525-F529 HydrophobicContact CG-CD2 4.19Å; L525-F529 HydrophobicContact CG-CG 4.3Å; P526-F529 HydrophobicContact CB-CD2 3.92Å; P526-F529 HydrophobicContact CB-CE2 4.07Å; P526-F529 HydrophobicContact CG-CD2 4.12Å; P526-F529 HydrophobicContact CG-CE2 4.01Å; P526-F529 PolarHBondContact O-N 3.32Å; T527-F529 PolarHBondContact O-N 3.01Å; T527-F529 VanDerWaalsContact O-N 3.09Å
530	I	86.3	Confident	72.7	Confident	14 Å²	14	83.7 Å²	83.7	7%	0.072	44%	0.441	C	S	.	.	S	Bend	trans	-94.2	127	-173.9	-56.8	178.1	0	0	0	109.3	S295 Y522 L525 T527 V534 L536	S295-I530 WeakPolarHBondContact CA-O 3.32Å; S295-I530 WeakPolarHBondContact CB-O 3.12Å; Y522-I530 HydrophobicContact CD1-CG1 4.15Å; Y522-I530 HydrophobicContact CD1-CG2 4.35Å; L525-I530 HydrophobicContact CD2-CG1 4.08Å; L525-I530 HydrophobicContact CG-CG1 4.46Å; L525-I530 WeakPolarHBondContact O-CD1 3.47Å; T527-I530 PolarHBondContact O-N 3.38Å; I530-V534 HydrophobicContact CG2-CB 4.41Å; I530-L536 HydrophobicContact CD1-CD2 4.12Å
531	T	79	Confident	70.4	Confident	27 Å²	27	88.6 Å²	88.6	17%	0.166	47%	0.474	C	S	.	.			trans	-70.6	143.3	174.8	-172.7	0	0	0	0	111.6	A294 A533 V534	A294-T531 WeakPolarHBondContact O-CB 3.24Å; A294-T531 PolarHBondContact O-OG1 3.36Å; T531-A533 HydrophobicContact CG2-CB 4.39Å; T531-A533 PolarHBondContact O-N 3.48Å; T531-A533 VanDerWaalsContact O-N 3.13Å; T531-V534 HydrophobicContact CG2-CB 4.12Å; T531-V534 HydrophobicContact CG2-CG2 3.56Å; T531-V534 PolarHBondContact O-N 3.08Å; T531-V534 VanDerWaalsContact O-N 3.11Å
532	N	64.7	Low	68.4	Low	124 Å²	124	88.9 Å²	88.9	66%	0.663	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.3	178.8	-65.8	-9.8	0	0	0	113.2	V534	N532-V534 VanDerWaalsContact C-N 3.29Å
533	A	57.1	Low	66.6	Low	91 Å²	91	91 Å²	91	75%	0.752	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-19.6	-179.5	0	0	0	0	0	113.3	T531 E535	T531-A533 HydrophobicContact CG2-CB 4.39Å; T531-A533 PolarHBondContact O-N 3.48Å; T531-A533 VanDerWaalsContact O-N 3.13Å; A533-E535 VanDerWaalsContact C-N 3.29Å; A533-E535 PolarHBondContact O-N 3.34Å; A533-E535 VanDerWaalsContact O-N 3.16Å
534	V	58.6	Low	65.5	Low	32 Å²	32	93 Å²	93	19%	0.194	51%	0.512	C	S	.	.	S	Bend	trans	-85	87.2	166.5	178.8	0	0	0	0	104.7	Y522 I530 T531 N532 L536	Y522-V534 HydrophobicContact CD2-CG1 3.83Å; Y522-V534 HydrophobicContact CE2-CB 4.27Å; Y522-V534 HydrophobicContact CE2-CG1 3.79Å; Y522-V534 HydrophobicContact CE2-CG2 3.69Å; Y522-V534 HydrophobicContact CG-CG1 4.49Å; I530-V534 HydrophobicContact CG2-CB 4.41Å; T531-V534 HydrophobicContact CG2-CB 4.12Å; T531-V534 HydrophobicContact CG2-CG2 3.56Å; T531-V534 PolarHBondContact O-N 3.08Å; T531-V534 VanDerWaalsContact O-N 3.11Å; N532-V534 VanDerWaalsContact C-N 3.29Å; V534-L536 VanDerWaalsContact C-N 3.34Å; V534-L536 PolarHBondContact O-N 3.33Å
535	E	50.4	Low	65.1	Low	166 Å²	166	92.9 Å²	92.9	78%	0.776	51%	0.511	S	S	*	.			trans	-45.6	113.4	155.6	-77.5	179.6	169.9	0	0	105.1	A533 K537	A533-E535 VanDerWaalsContact C-N 3.29Å; A533-E535 PolarHBondContact O-N 3.34Å; A533-E535 VanDerWaalsContact O-N 3.16Å; E535-K537 PolarHBondContact O-N 2.84Å
536	L	51.4	Low	64.6	Low	98 Å²	98	98.1 Å²	98.1	51%	0.513	54%	0.538	S	S	.	.			trans	-54.2	97.5	166.3	-84.4	152.3	0	0	0	103.8	I530 V534 T538	I530-L536 HydrophobicContact CD1-CD2 4.12Å; V534-L536 VanDerWaalsContact C-N 3.34Å; V534-L536 PolarHBondContact O-N 3.33Å; L536-T538 HydrophobicContact CB-CG2 4.41Å; L536-T538 PolarHBondContact O-N 3.4Å
537	K	48.7	Very low	64.1	Low	192 Å²	192	99.2 Å²	99.2	84%	0.835	54%	0.539	S	S	*	.			trans	-62	78	152.9	-70	-175.9	-179.3	178.5	0	102.8	E535 E539	E535-K537 PolarHBondContact O-N 2.84Å; K537-E539 VanDerWaalsContact C-N 3.26Å; K537-E539 PolarHBondContact O-N 3.48Å
538	T	44.5	Very low	63.8	Low	102 Å²	102	98.4 Å²	98.4	63%	0.626	53%	0.53	S	S	*	.			trans	-50.4	112.2	154.1	42.6	0	0	0	0	101.5	L536 Q540	L536-T538 HydrophobicContact CB-CG2 4.41Å; L536-T538 PolarHBondContact O-N 3.4Å; T538-Q540 PolarHBondContact O-N 3.46Å
539	E	44.7	Very low	63.4	Low	184 Å²	184	100.8 Å²	100.8	86%	0.86	55%	0.548	S	S	*	.			trans	-56.9	89.1	159.7	-77	176.9	165	0	0	103.1	K537 P541	K537-E539 VanDerWaalsContact C-N 3.26Å; K537-E539 PolarHBondContact O-N 3.48Å; E539-P541 VanDerWaalsContact O-N 3.08Å
540	Q	40.3	Very low	63.3	Low	159 Å²	159	104.9 Å²	104.9	74%	0.743	57%	0.569	S	S	*	*			trans	-51.2	123.1	163.2	-81.2	-173.8	-57.7	0	0	102.7	T538 V542	T538-Q540 PolarHBondContact O-N 3.46Å; Q540-V542 PolarHBondContact O-N 2.96Å
541	P	45.9	Very low	63.5	Low	114 Å²	114	108.6 Å²	108.6	74%	0.74	59%	0.588	S	S	*	*			trans	-52.6	113.1	177.4	21.2	-30.6	0	0	0	104.4	E539 P543	E539-P541 VanDerWaalsContact O-N 3.08Å; P541-P543 VanDerWaalsContact C-N 3.34Å; P541-P543 WeakPolarHBondContact O-CD 3.2Å
542	V	51.3	Low	64	Low	115 Å²	115	110.6 Å²	110.6	70%	0.697	60%	0.603	S	S	*	*			trans	-54.9	110.1	176.8	-177.3	0	0	0	0	102.3	Q540 D544	Q540-V542 PolarHBondContact O-N 2.96Å; V542-D544 PolarHBondContact O-N 3.33Å
543	P	53.8	Low	65.4	Low	80 Å²	80	108.3 Å²	108.3	52%	0.519	59%	0.594	S	S	.	*			trans	-62.2	116.4	178.5	-7.8	21.6	0	0	0	102.2	P541 L545 I548	P541-P543 VanDerWaalsContact C-N 3.34Å; P541-P543 WeakPolarHBondContact O-CD 3.2Å; P543-L545 PolarHBondContact O-N 3.16Å; P543-I548 HydrophobicContact CB-CD1 3.78Å; P543-I548 HydrophobicContact CB-CG1 4.11Å; P543-I548 HydrophobicContact CG-CD1 3.96Å
544	D	65.4	Low	67.2	Low	106 Å²	106	107.6 Å²	107.6	57%	0.567	58%	0.579	S	S	*	*			trans	-35.5	113.4	-171.6	-104.2	-32.9	0	0	0	107.1	V542 L546 I547 I548	V542-D544 PolarHBondContact O-N 3.33Å; D544-L546 HydrophobicContact CB-CB 4.43Å; D544-L546 CarbonylContact O-C 3.55Å; D544-L546 PolarHBondContact O-N 2.56Å; D544-I547 HydrophobicContact CB-CB 4.06Å; D544-I547 HydrophobicContact CB-CD1 3.77Å; D544-I547 HydrophobicContact CB-CG1 3.63Å; D544-I547 WeakPolarHBondContact O-CA 3.37Å; D544-I547 WeakPolarHBondContact O-CB 3.26Å; D544-I547 PolarHBondContact O-N 3.12Å; D544-I548 PolarHBondContact O-N 3.11Å; D544-I548 VanDerWaalsContact O-N 3.16Å
545	L	72.3	Confident	69	Low	139 Å²	139	111.2 Å²	111.2	73%	0.728	60%	0.597	S	S	*	*	H	α-helix	trans	-53.5	-26.8	-174.7	-158.2	82.5	0	0	0	109.7	P543 S549	P543-L545 PolarHBondContact O-N 3.16Å; L545-S549 WeakPolarHBondContact O-CB 3.5Å; L545-S549 PolarHBondContact O-N 2.99Å
546	L	77.2	Confident	71.1	Confident	124 Å²	124	107.3 Å²	107.3	65%	0.649	59%	0.585	S	S	*	*	H	α-helix	trans	-60.8	-46.4	169.6	-148.2	134.5	0	0	0	113.6	D544 S549 I550	D544-L546 HydrophobicContact CB-CB 4.43Å; D544-L546 CarbonylContact O-C 3.55Å; D544-L546 PolarHBondContact O-N 2.56Å; L546-S549 PolarHBondContact O-N 3.13Å; L546-I550 HydrophobicContact CD2-CD1 3.62Å; L546-I550 WeakPolarHBondContact O-CB 3.42Å; L546-I550 WeakPolarHBondContact O-CD1 3.14Å; L546-I550 WeakPolarHBondContact O-CG1 3.38Å; L546-I550 PolarHBondContact O-N 2.87Å
547	I	81.7	Confident	73.1	Confident	87 Å²	87	107.4 Å²	107.4	45%	0.446	59%	0.585	S	S	.	*	H	α-helix	trans	-64.4	-47.1	174.5	-64.6	176.9	0	0	0	111.1	D544 S549 I550 I551	D544-I547 HydrophobicContact CB-CB 4.06Å; D544-I547 HydrophobicContact CB-CD1 3.77Å; D544-I547 HydrophobicContact CB-CG1 3.63Å; D544-I547 WeakPolarHBondContact O-CA 3.37Å; D544-I547 WeakPolarHBondContact O-CB 3.26Å; D544-I547 PolarHBondContact O-N 3.12Å; I547-S549 VanDerWaalsContact C-N 3.31Å; I547-S549 PolarHBondContact O-N 3.36Å; I547-I550 PolarHBondContact O-N 2.66Å; I547-I551 HydrophobicContact CG2-CD1 3.73Å; I547-I551 HydrophobicContact CG2-CG1 4.38Å; I547-I551 VanDerWaalsContact O-CG1 3.3Å; I547-I551 WeakPolarHBondContact O-CG1 3.21Å; I547-I551 PolarHBondContact O-N 3.02Å
548	I	82.8	Confident	75.3	Confident	88 Å²	88	102.8 Å²	102.8	45%	0.451	57%	0.569	S	S	.	*	H	α-helix	trans	-61.3	-43.8	177.5	-65.1	174.7	0	0	0	110.3	P543 D544 I551 S552	P543-I548 HydrophobicContact CB-CD1 3.78Å; P543-I548 HydrophobicContact CB-CG1 4.11Å; P543-I548 HydrophobicContact CG-CD1 3.96Å; D544-I548 PolarHBondContact O-N 3.11Å; D544-I548 VanDerWaalsContact O-N 3.16Å; I548-I551 PolarHBondContact O-N 3.45Å; I548-S552 WeakPolarHBondContact O-CB 3.33Å; I548-S552 PolarHBondContact O-N 2.9Å
549	S	84.1	Confident	77.7	Confident	69 Å²	69	100.2 Å²	100.2	48%	0.483	56%	0.558	S	S	.	*	H	α-helix	trans	-60.2	-45.9	176.7	-174.9	0	0	0	0	111.5	L545 L546 I547 I551 S552 V553	L545-S549 WeakPolarHBondContact O-CB 3.5Å; L545-S549 PolarHBondContact O-N 2.99Å; L546-S549 PolarHBondContact O-N 3.13Å; I547-S549 VanDerWaalsContact C-N 3.31Å; I547-S549 PolarHBondContact O-N 3.36Å; S549-I551 PolarHBondContact O-N 2.95Å; S549-S552 PolarHBondContact O-N 3.01Å; S549-V553 VanDerWaalsContact O-CG2 3.32Å; S549-V553 WeakPolarHBondContact O-CG2 3.42Å; S549-V553 PolarHBondContact O-N 3.25Å
550	I	88.9	Confident	80	Confident	91 Å²	91	93.7 Å²	93.7	47%	0.467	54%	0.535	S	S	.	.	H	α-helix	trans	-60.3	-47.6	176.6	-71.6	165.4	0	0	0	111.1	L546 I547 S552 V553 V554	L546-I550 HydrophobicContact CD2-CD1 3.62Å; L546-I550 WeakPolarHBondContact O-CB 3.42Å; L546-I550 WeakPolarHBondContact O-CD1 3.14Å; L546-I550 WeakPolarHBondContact O-CG1 3.38Å; L546-I550 PolarHBondContact O-N 2.87Å; I547-I550 PolarHBondContact O-N 2.66Å; I550-S552 VanDerWaalsContact C-N 3.32Å; I550-S552 PolarHBondContact O-N 3.45Å; I550-V553 PolarHBondContact O-N 2.62Å; I550-V554 HydrophobicContact CG2-CG2 4.4Å; I550-V554 VanDerWaalsContact O-CG2 3.3Å; I550-V554 WeakPolarHBondContact O-CG2 3.35Å; I550-V554 PolarHBondContact O-N 3.41Å
551	I	91	Very high	82.5	Confident	93 Å²	93	90.2 Å²	90.2	48%	0.477	53%	0.525	S	S	.	.	H	α-helix	trans	-61.5	-42.4	179.8	-67.7	168.6	0	0	0	110.7	I547 I548 S549 V554 L555	I547-I551 HydrophobicContact CG2-CD1 3.73Å; I547-I551 HydrophobicContact CG2-CG1 4.38Å; I547-I551 VanDerWaalsContact O-CG1 3.3Å; I547-I551 WeakPolarHBondContact O-CG1 3.21Å; I547-I551 PolarHBondContact O-N 3.02Å; I548-I551 PolarHBondContact O-N 3.45Å; S549-I551 PolarHBondContact O-N 2.95Å; I551-V554 PolarHBondContact O-N 3.41Å; I551-L555 HydrophobicContact CG2-CD1 3.92Å; I551-L555 HydrophobicContact CG2-CG 4.43Å; I551-L555 WeakPolarHBondContact O-CB 3.47Å; I551-L555 WeakPolarHBondContact O-CG 3.41Å; I551-L555 PolarHBondContact O-N 2.99Å
552	S	90.1	Very high	84.8	Confident	68 Å²	68	90.6 Å²	90.6	48%	0.476	52%	0.519	S	S	.	.	H	α-helix	trans	-63.9	-42.3	178	-170.7	0	0	0	0	112.5	I548 S549 I550 L555 T556	I548-S552 WeakPolarHBondContact O-CB 3.33Å; I548-S552 PolarHBondContact O-N 2.9Å; S549-S552 PolarHBondContact O-N 3.01Å; I550-S552 VanDerWaalsContact C-N 3.32Å; I550-S552 PolarHBondContact O-N 3.45Å; S552-L555 PolarHBondContact O-N 2.97Å; S552-T556 WeakPolarHBondContact O-CG2 3.46Å; S552-T556 PolarHBondContact O-N 3.31Å; S552-T556 PolarHBondContact O-OG1 3.45Å
553	V	93.8	Very high	86.8	Confident	77 Å²	77	90.8 Å²	90.8	47%	0.467	52%	0.516	S	S	.	.	H	α-helix	trans	-65	-41.3	176	173.1	0	0	0	0	111.2	S549 I550 T556 I557	S549-V553 VanDerWaalsContact O-CG2 3.32Å; S549-V553 WeakPolarHBondContact O-CG2 3.42Å; S549-V553 PolarHBondContact O-N 3.25Å; I550-V553 PolarHBondContact O-N 2.62Å; V553-T556 WeakPolarHBondContact CA-OG1 3.43Å; V553-T556 PolarHBondContact O-N 3.38Å; V553-T556 PolarHBondContact O-OG1 3.13Å; V553-I557 HydrophobicContact CG1-CD1 3.86Å; V553-I557 WeakPolarHBondContact O-CD1 3.34Å; V553-I557 VanDerWaalsContact O-CG1 3.25Å; V553-I557 WeakPolarHBondContact O-CG1 3.38Å; V553-I557 PolarHBondContact O-N 2.98Å; V553-I557 VanDerWaalsContact O-N 3.08Å
554	V	94.9	Very high	88.6	Confident	75 Å²	75	92.6 Å²	92.6	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-64.9	-43.7	177.8	171.8	0	0	0	0	111.4	I550 I551 I557 L558	I550-V554 HydrophobicContact CG2-CG2 4.4Å; I550-V554 VanDerWaalsContact O-CG2 3.3Å; I550-V554 WeakPolarHBondContact O-CG2 3.35Å; I550-V554 PolarHBondContact O-N 3.41Å; I551-V554 PolarHBondContact O-N 3.41Å; V554-I557 PolarHBondContact O-N 3.12Å; V554-L558 HydrophobicContact CG1-CD1 4.04Å; V554-L558 WeakPolarHBondContact O-CG 3.36Å; V554-L558 PolarHBondContact O-N 3.29Å
555	L	95.3	Very high	89.8	Confident	108 Å²	108	90.3 Å²	90.3	57%	0.565	52%	0.517	S	S	*	.	H	α-helix	trans	-66.1	-38.4	179.2	-72.7	172.5	0	0	0	112.6	I551 S552 L558 A559	I551-L555 HydrophobicContact CG2-CD1 3.92Å; I551-L555 HydrophobicContact CG2-CG 4.43Å; I551-L555 WeakPolarHBondContact O-CB 3.47Å; I551-L555 WeakPolarHBondContact O-CG 3.41Å; I551-L555 PolarHBondContact O-N 2.99Å; S552-L555 PolarHBondContact O-N 2.97Å; L555-L558 PolarHBondContact O-N 2.96Å; L555-A559 WeakPolarHBondContact O-CB 3.27Å; L555-A559 PolarHBondContact O-N 3.36Å
556	T	94.8	Very high	90.6	Very high	85 Å²	85	85.2 Å²	85.2	52%	0.521	50%	0.498	S	S	.	.	H	α-helix	trans	-67.6	-39.6	177	47	0	0	0	0	111.9	S552 V553 A559 A560	S552-T556 WeakPolarHBondContact O-CG2 3.46Å; S552-T556 PolarHBondContact O-N 3.31Å; S552-T556 PolarHBondContact O-OG1 3.45Å; V553-T556 WeakPolarHBondContact CA-OG1 3.43Å; V553-T556 PolarHBondContact O-N 3.38Å; V553-T556 PolarHBondContact O-OG1 3.13Å; T556-A559 PolarHBondContact O-N 2.93Å; T556-A560 WeakPolarHBondContact O-CB 3.48Å; T556-A560 PolarHBondContact O-N 3.28Å
557	I	93.9	Very high	91.2	Very high	99 Å²	99	84.2 Å²	84.2	51%	0.508	49%	0.493	S	S	.	.	H	α-helix	trans	-62.4	-46.7	173.1	-67.9	167.5	0	0	0	110.7	V553 V554 A559 A560 V561	V553-I557 HydrophobicContact CG1-CD1 3.86Å; V553-I557 WeakPolarHBondContact O-CD1 3.34Å; V553-I557 VanDerWaalsContact O-CG1 3.25Å; V553-I557 WeakPolarHBondContact O-CG1 3.38Å; V553-I557 PolarHBondContact O-N 2.98Å; V553-I557 VanDerWaalsContact O-N 3.08Å; V554-I557 PolarHBondContact O-N 3.12Å; I557-A559 PolarHBondContact O-N 3.27Å; I557-A560 PolarHBondContact O-N 3.12Å; I557-V561 HydrophobicContact CG2-CG2 4.47Å; I557-V561 WeakPolarHBondContact O-CG2 3.38Å; I557-V561 PolarHBondContact O-N 2.98Å
558	L	95.4	Very high	91.5	Very high	95 Å²	95	86.5 Å²	86.5	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-60.5	-44.2	178.2	-75.8	169.6	0	0	0	112	V554 L555 A560 V561 I562	V554-L558 HydrophobicContact CG1-CD1 4.04Å; V554-L558 WeakPolarHBondContact O-CG 3.36Å; V554-L558 PolarHBondContact O-N 3.29Å; L555-L558 PolarHBondContact O-N 2.96Å; L558-A560 PolarHBondContact O-N 2.94Å; L558-V561 PolarHBondContact O-N 2.92Å; L558-I562 VanDerWaalsContact O-CG1 3.29Å; L558-I562 WeakPolarHBondContact O-CG1 3.47Å; L558-I562 PolarHBondContact O-N 2.93Å
559	A	94.1	Very high	91.7	Very high	48 Å²	48	88.6 Å²	88.6	40%	0.397	51%	0.507	S	S	.	.	H	α-helix	trans	-61.6	-42.5	176.6	0	0	0	0	0	112.1	L555 T556 I557 I562 L563	L555-A559 WeakPolarHBondContact O-CB 3.27Å; L555-A559 PolarHBondContact O-N 3.36Å; T556-A559 PolarHBondContact O-N 2.93Å; I557-A559 PolarHBondContact O-N 3.27Å; A559-I562 PolarHBondContact O-N 3.28Å; A559-L563 WeakPolarHBondContact O-CB 3.29Å; A559-L563 WeakPolarHBondContact O-CG 3.35Å; A559-L563 PolarHBondContact O-N 3.47Å
560	A	93	Very high	91.8	Very high	47 Å²	47	89.7 Å²	89.7	39%	0.388	51%	0.507	S	S	.	.	H	α-helix	trans	-62.9	-42.5	176.7	0	0	0	0	0	112	T556 I557 L558 L563 L564	T556-A560 WeakPolarHBondContact O-CB 3.48Å; T556-A560 PolarHBondContact O-N 3.28Å; I557-A560 PolarHBondContact O-N 3.12Å; L558-A560 PolarHBondContact O-N 2.94Å; A560-L563 PolarHBondContact O-N 3.35Å; A560-L564 WeakPolarHBondContact O-CB 3.42Å; A560-L564 VanDerWaalsContact O-CG 3.29Å; A560-L564 WeakPolarHBondContact O-CG 3.3Å; A560-L564 PolarHBondContact O-N 2.89Å
561	V	92.6	Very high	91.5	Very high	87 Å²	87	88.6 Å²	88.6	53%	0.527	51%	0.506	S	S	.	.	H	α-helix	trans	-62.5	-43.9	176.3	171.9	0	0	0	0	111.2	I557 L558 L564 A565	I557-V561 HydrophobicContact CG2-CG2 4.47Å; I557-V561 WeakPolarHBondContact O-CG2 3.38Å; I557-V561 PolarHBondContact O-N 2.98Å; L558-V561 PolarHBondContact O-N 2.92Å; V561-L564 PolarHBondContact O-N 3.41Å; V561-A565 VanDerWaalsContact O-CB 3.32Å; V561-A565 WeakPolarHBondContact O-CB 3.34Å; V561-A565 PolarHBondContact O-N 2.84Å
562	I	93.8	Very high	91.1	Very high	121 Å²	121	92.2 Å²	92.2	62%	0.621	51%	0.514	S	S	*	.	H	α-helix	trans	-63.4	-43.4	177.7	-68.2	166	0	0	0	110.9	L558 A559 A565 G566	L558-I562 VanDerWaalsContact O-CG1 3.29Å; L558-I562 WeakPolarHBondContact O-CG1 3.47Å; L558-I562 PolarHBondContact O-N 2.93Å; A559-I562 PolarHBondContact O-N 3.28Å; I562-A565 PolarHBondContact O-N 3.34Å; I562-G566 PolarHBondContact O-N 2.85Å
563	L	93.5	Very high	90.7	Very high	119 Å²	119	95.9 Å²	95.9	62%	0.623	52%	0.518	S	S	*	.	H	α-helix	trans	-63.8	-44	177.5	-75.9	170	0	0	0	112	A559 A560 G566 L567	A559-L563 WeakPolarHBondContact O-CB 3.29Å; A559-L563 WeakPolarHBondContact O-CG 3.35Å; A559-L563 PolarHBondContact O-N 3.47Å; A560-L563 PolarHBondContact O-N 3.35Å; L563-G566 PolarHBondContact O-N 3.4Å; L563-L567 WeakPolarHBondContact O-CB 3.29Å; L563-L567 WeakPolarHBondContact O-CG 3.33Å; L563-L567 PolarHBondContact O-N 3.37Å
564	L	92.2	Very high	90	Very high	118 Å²	118	101.4 Å²	101.4	62%	0.618	53%	0.53	S	S	*	.	H	α-helix	trans	-64.5	-42.1	176.8	-73.1	170.5	0	0	0	111.7	A560 V561 L567 H568	A560-L564 WeakPolarHBondContact O-CB 3.42Å; A560-L564 VanDerWaalsContact O-CG 3.29Å; A560-L564 WeakPolarHBondContact O-CG 3.3Å; A560-L564 PolarHBondContact O-N 2.89Å; V561-L564 PolarHBondContact O-N 3.41Å; L564-L567 PolarHBondContact O-N 2.88Å; L564-H568 VanDerWaalsContact O-CB 3.3Å; L564-H568 WeakPolarHBondContact O-CB 3.32Å; L564-H568 PolarHBondContact O-N 3.45Å
565	A	89.8	Confident	89	Confident	59 Å²	59	107.1 Å²	107.1	49%	0.488	54%	0.543	S	S	.	.	H	α-helix	trans	-63.2	-42.5	174.7	0	0	0	0	0	111.7	V561 I562 H568 F569	V561-A565 VanDerWaalsContact O-CB 3.32Å; V561-A565 WeakPolarHBondContact O-CB 3.34Å; V561-A565 PolarHBondContact O-N 2.84Å; I562-A565 PolarHBondContact O-N 3.34Å; A565-H568 PolarHBondContact O-N 3.49Å; A565-F569 WeakPolarHBondContact O-CB 3.49Å; A565-F569 PolarHBondContact O-N 2.89Å
566	G	90.7	Very high	87.9	Confident	32 Å²	32	106.9 Å²	106.9	33%	0.33	54%	0.542	S	S	.	.	H	α-helix	trans	-63.2	-45.7	175.6	0	0	0	0	0	112.8	I562 L563 F569 L570	I562-G566 PolarHBondContact O-N 2.85Å; L563-G566 PolarHBondContact O-N 3.4Å; G566-F569 PolarHBondContact O-N 3.29Å; G566-L570 WeakPolarHBondContact O-CB 3.39Å; G566-L570 WeakPolarHBondContact O-CG 3.29Å; G566-L570 PolarHBondContact O-N 3.32Å
567	L	89.8	Confident	86.6	Confident	103 Å²	103	108.4 Å²	108.4	54%	0.539	54%	0.542	S	S	.	.	H	α-helix	trans	-62.4	-42.8	174.8	-77.2	166.8	0	0	0	111.6	L563 L564 F569 L570 C571	L563-L567 WeakPolarHBondContact O-CB 3.29Å; L563-L567 WeakPolarHBondContact O-CG 3.33Å; L563-L567 PolarHBondContact O-N 3.37Å; L564-L567 PolarHBondContact O-N 2.88Å; L567-F569 VanDerWaalsContact C-N 3.35Å; L567-F569 PolarHBondContact O-N 3.4Å; L567-L570 PolarHBondContact O-N 3.39Å; L567-C571 VanDerWaalsContact O-CB 3.29Å; L567-C571 WeakPolarHBondContact O-CB 3.39Å; L567-C571 PolarHBondContact O-N 2.85Å; L567-C571 PolarHBondContact O-SG 3.35Å; L567-C571 VanDerWaalsContact O-SG 3.39Å
568	H	87.1	Confident	85.2	Confident	135 Å²	135	113.8 Å²	113.8	63%	0.625	56%	0.556	S	S	*	*	H	α-helix	trans	-62.7	-42.3	175.9	-173.8	-99.7	0	0	0	111.5	L564 A565 C571 R572	L564-H568 VanDerWaalsContact O-CB 3.3Å; L564-H568 WeakPolarHBondContact O-CB 3.32Å; L564-H568 PolarHBondContact O-N 3.45Å; A565-H568 PolarHBondContact O-N 3.49Å; H568-C571 PolarHBondContact O-N 3.42Å; H568-R572 WeakPolarHBondContact O-CB 3.38Å; H568-R572 PolarHBondContact O-N 2.85Å
569	F	87.2	Confident	83.6	Confident	131 Å²	131	119 Å²	119	58%	0.575	57%	0.569	S	S	*	*	H	α-helix	trans	-62.1	-45.8	174.7	-178.4	-97.1	0	0	0	112.2	A565 G566 L567 R572 R573	A565-F569 WeakPolarHBondContact O-CB 3.49Å; A565-F569 PolarHBondContact O-N 2.89Å; G566-F569 PolarHBondContact O-N 3.29Å; L567-F569 VanDerWaalsContact C-N 3.35Å; L567-F569 PolarHBondContact O-N 3.4Å; F569-R572 PolarHBondContact O-N 2.83Å; F569-R573 WeakPolarHBondContact O-CB 3.41Å; F569-R573 PolarHBondContact O-N 2.89Å
570	L	85.1	Confident	81.9	Confident	93 Å²	93	125.3 Å²	125.3	49%	0.487	58%	0.582	S	S	.	*	H	α-helix	trans	-64.5	-41.4	177.1	-71.6	173.4	0	0	0	112.1	G566 L567 R573 R574	G566-L570 WeakPolarHBondContact O-CB 3.39Å; G566-L570 WeakPolarHBondContact O-CG 3.29Å; G566-L570 PolarHBondContact O-N 3.32Å; L567-L570 PolarHBondContact O-N 3.39Å; L570-R573 PolarHBondContact O-N 2.87Å; L570-R574 WeakPolarHBondContact O-CB 3.43Å; L570-R574 WeakPolarHBondContact O-CG 3.39Å; L570-R574 PolarHBondContact O-N 3.31Å
571	C	83.4	Confident	80.2	Confident	67 Å²	67	132.4 Å²	132.4	45%	0.453	60%	0.599	S	S	.	*	H	α-helix	trans	-63	-43.3	174.1	-79.6	0	0	0	0	111.7	L567 H568 R574 R575	L567-C571 VanDerWaalsContact O-CB 3.29Å; L567-C571 WeakPolarHBondContact O-CB 3.39Å; L567-C571 PolarHBondContact O-N 2.85Å; L567-C571 PolarHBondContact O-SG 3.35Å; L567-C571 VanDerWaalsContact O-SG 3.39Å; H568-C571 PolarHBondContact O-N 3.42Å; C571-R574 PolarHBondContact O-N 2.94Å; C571-R575 WeakPolarHBondContact O-CG 3.33Å; C571-R575 PolarHBondContact O-N 3.44Å
572	R	82.7	Confident	78.5	Confident	170 Å²	170	131.4 Å²	131.4	64%	0.642	61%	0.607	S	S	*	*	H	α-helix	trans	-63.3	-42.8	175.4	-167.3	177.4	-179.8	-168.1	0.4	111.2	H568 F569 R575 L576	H568-R572 WeakPolarHBondContact O-CB 3.38Å; H568-R572 PolarHBondContact O-N 2.85Å; F569-R572 PolarHBondContact O-N 2.83Å; R572-R575 PolarHBondContact O-N 3.41Å; R572-L576 WeakPolarHBondContact O-CG 3.42Å; R572-L576 PolarHBondContact O-N 3.32Å
573	R	81.8	Confident	76.6	Confident	144 Å²	144	133 Å²	133	54%	0.543	61%	0.612	S	S	.	*	H	α-helix	trans	-65.8	-41.9	176.5	-167.2	176.9	-179.3	-177	1.1	112.2	F569 L570 L576 F577	F569-R573 WeakPolarHBondContact O-CB 3.41Å; F569-R573 PolarHBondContact O-N 2.89Å; L570-R573 PolarHBondContact O-N 2.87Å; R573-L576 PolarHBondContact O-N 2.92Å; R573-F577 PolarHBondContact O-N 3.37Å
574	R	78.4	Confident	74.8	Confident	194 Å²	194	137.3 Å²	137.3	73%	0.732	62%	0.621	S	S	*	*	H	α-helix	trans	-64.1	-40.6	174.7	-79.9	-175.9	176.9	-179.3	0.6	112.3	L570 C571 L576 F577 R578	L570-R574 WeakPolarHBondContact O-CB 3.43Å; L570-R574 WeakPolarHBondContact O-CG 3.39Å; L570-R574 PolarHBondContact O-N 3.31Å; C571-R574 PolarHBondContact O-N 2.94Å; R574-L576 VanDerWaalsContact C-N 3.35Å; R574-F577 PolarHBondContact O-N 3.05Å; R574-R578 PolarHBondContact O-N 3.09Å
575	R	75.1	Confident	72.9	Confident	194 Å²	194	136.1 Å²	136.1	73%	0.732	63%	0.628	S	S	*	*	H	α-helix	trans	-61.9	-41.5	173.8	-75.3	-177.1	-167.2	-177.2	5	111.8	C571 R572 R579	C571-R575 WeakPolarHBondContact O-CG 3.33Å; C571-R575 PolarHBondContact O-N 3.44Å; R572-R575 PolarHBondContact O-N 3.41Å; R575-R579 PolarHBondContact O-N 2.9Å; R575-R579 VanDerWaalsContact O-N 3.09Å
576	L	71.7	Confident	70.7	Confident	104 Å²	104	137.3 Å²	137.3	55%	0.545	65%	0.646	S	S	.	*	H	α-helix	trans	-64.8	-41.4	174.9	-74.3	163.8	0	0	0	112.2	R572 R573 R574 R579 R580	R572-L576 WeakPolarHBondContact O-CG 3.42Å; R572-L576 PolarHBondContact O-N 3.32Å; R573-L576 PolarHBondContact O-N 2.92Å; R574-L576 VanDerWaalsContact C-N 3.35Å; L576-R579 PolarHBondContact O-N 3.23Å; L576-R580 PolarHBondContact O-N 3.01Å; L576-R580 VanDerWaalsContact O-N 3.15Å
577	F	68	Low	68.5	Low	116 Å²	116	138.9 Å²	138.9	51%	0.509	66%	0.663	S	S	.	*	H	α-helix	trans	-68.2	-39.2	177.4	-116.2	-86.3	0	0	0	113.1	R573 R574 R579 R580 R581	R573-F577 PolarHBondContact O-N 3.37Å; R574-F577 PolarHBondContact O-N 3.05Å; F577-R579 VanDerWaalsContact C-N 3.35Å; F577-R580 PolarHBondContact O-N 3.39Å; F577-R581 PolarHBondContact O-N 2.97Å
578	R	63.9	Low	66.1	Low	212 Å²	212	143.6 Å²	143.6	80%	0.8	68%	0.682	S	S	*	*	H	α-helix	trans	-63.7	-39.1	173.4	-91.1	-172.9	172.8	176.9	-1.8	111.9	R574 R580 R581 G582	R574-R578 PolarHBondContact O-N 3.09Å; R578-R580 VanDerWaalsContact C-N 3.31Å; R578-R580 PolarHBondContact O-N 3.36Å; R578-R581 PolarHBondContact O-N 3.43Å; R578-G582 PolarHBondContact O-N 3.19Å
579	R	62	Low	63.7	Low	205 Å²	205	142.8 Å²	142.8	77%	0.774	69%	0.691	S	S	*	*	H	α-helix	trans	-61.4	-36.4	172.9	-81.8	-174	173.6	-177.5	-2.1	112.6	R575 L576 F577	R575-R579 PolarHBondContact O-N 2.9Å; R575-R579 VanDerWaalsContact O-N 3.09Å; L576-R579 PolarHBondContact O-N 3.23Å; F577-R579 VanDerWaalsContact C-N 3.35Å
580	R	59.3	Low	61.4	Low	180 Å²	180	147 Å²	147	68%	0.679	73%	0.727	S	S	*	*	H	α-helix	trans	-72.2	-39.7	174.5	-76.9	-172.7	-179.9	-176.7	-0.4	113.7	L576 F577 R578 Q583	L576-R580 PolarHBondContact O-N 3.01Å; L576-R580 VanDerWaalsContact O-N 3.15Å; F577-R580 PolarHBondContact O-N 3.39Å; R578-R580 VanDerWaalsContact C-N 3.31Å; R578-R580 PolarHBondContact O-N 3.36Å; R580-Q583 PolarHBondContact O-N 3.28Å
581	R	56.4	Low	60.2	Low	196 Å²	196	149.7 Å²	149.7	74%	0.74	74%	0.739	S	S	*	*	H	α-helix	trans	-70.3	-30.1	177.6	-88.4	-173.5	176.8	172	-0.9	113.4	F577 R578 Q583 Y584	F577-R581 PolarHBondContact O-N 2.97Å; R578-R581 PolarHBondContact O-N 3.43Å; R581-Q583 PolarHBondContact O-N 3.15Å; R581-Y584 PolarHBondContact O-N 3.25Å
582	G	55.9	Low	59	Low	67 Å²	67	154.1 Å²	154.1	69%	0.691	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-16.4	172.8	0	0	0	0	0	114.2	R578	R578-G582 PolarHBondContact O-N 3.19Å
583	Q	54.7	Low	57.7	Low	154 Å²	154	153.2 Å²	153.2	72%	0.72	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-11.9	177.3	-79.6	179.4	-42.1	0	0	114.5	R580 R581	R580-Q583 PolarHBondContact O-N 3.28Å; R581-Q583 PolarHBondContact O-N 3.15Å
584	Y	55.7	Low	56.3	Low	209 Å²	209	153.7 Å²	153.7	82%	0.82	77%	0.774	S	S	*	*	S	Bend	trans	-121.4	12.8	-171.9	-78.9	-79.7	0	0	0	115.5	R581	R581-Y584 PolarHBondContact O-N 3.25Å
585	A	51.3	Low	54.9	Low	94 Å²	94	151.2 Å²	151.2	78%	0.777	78%	0.776	S	S	*	*	S	Bend	trans	-115.9	21.1	176.1	0	0	0	0	0	113.7
586	G	45.2	Very low	53.5	Low	84 Å²	84	148.3 Å²	148.3	87%	0.866	78%	0.779	S	S	*	*			trans	-105.2	87.1	162.6	0	0	0	0	0	108.8
587	G	44.2	Very low	52.2	Low	65 Å²	65	151.5 Å²	151.5	67%	0.67	80%	0.796	S	S	*	*			trans	177.7	82.3	-176.1	0	0	0	0	0	113.9
588	Q	38.2	Very low	51	Low	201 Å²	201	154.2 Å²	154.2	94%	0.939	82%	0.818	S	S	*	*			trans	49.2	112.7	144	-64.2	178.6	-26.1	0	0	119.8
589	S	38.7	Very low	49.9	Very low	118 Å²	118	149.4 Å²	149.4	83%	0.825	82%	0.819	S	S	*	*				-151.1	132.7	125.6	71.2	0	0	0	0	110.5
590	V	37.8	Very low	48.8	Very low	220 Å²	220	144.4 Å²	144.4	100%	1.333	82%	0.824	S	S	*	*			trans	-6.3	0	167.8	-172.6	0	0	0	0	117.7

Retrieved 590 of 590 residues in 594.1 ms (Link to these results)

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