A0A087Y9Z3_POEFO Loading...

Phosphotransferase

AlphaFold DB , UniProt , Accession A0A087Y9Z3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 475 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	41.5	Very low	238 Å²	238	123.2 Å²	123.2	100%	1.172	67%	0.665	S	S	*	*				0	104.4	0	-73.7	178.5	177.1	0	0	109.5
2	P	32.8	Very low	42.1	Very low	124 Å²	124	126 Å²	126	81%	0.805	67%	0.674	S	S	*	*			trans	-75.2	146.4	148.6	7.5	12	0	0	0	108.5	I4	P2-I4 PolarHBondContact O-N 2.75Å
3	C	37.7	Very low	42.5	Very low	83 Å²	83	130.8 Å²	130.8	56%	0.561	69%	0.685	S	S	*	*			trans	-64	119	-171.2	-137.6	0	0	0	0	111.9	T5 S6	C3-T5 PolarHBondContact O-N 2.98Å; C3-T5 VanDerWaalsContact O-N 3.16Å; C3-T5 PolarHBondContact SG-OG1 3.5Å; C3-S6 PolarHBondContact O-N 3.25Å; C3-S6 VanDerWaalsContact O-N 3.17Å; C3-S6 PolarHBondContact O-OG 3.43Å
4	I	42.9	Very low	42.9	Very low	133 Å²	133	127.1 Å²	127.1	68%	0.682	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-27.3	175.1	-67.6	170.5	0	0	0	111.2	P2 S6 Q7 L8	P2-I4 PolarHBondContact O-N 2.75Å; I4-S6 VanDerWaalsContact C-N 3.32Å; I4-S6 PolarHBondContact O-N 3.39Å; I4-Q7 PolarHBondContact O-N 3.31Å; I4-L8 HydrophobicContact CG2-CD1 3.95Å; I4-L8 PolarHBondContact O-N 3.46Å
5	T	44.2	Very low	43.4	Very low	89 Å²	89	124.1 Å²	124.1	55%	0.546	66%	0.657	S	S	.	*	H	α-helix	trans	-64.1	-28.6	178.5	6.4	0	0	0	0	114	C3	C3-T5 PolarHBondContact O-N 2.98Å; C3-T5 VanDerWaalsContact O-N 3.16Å; C3-T5 PolarHBondContact SG-OG1 3.5Å
6	S	39.3	Very low	44.3	Very low	73 Å²	73	119.8 Å²	119.8	51%	0.51	65%	0.651	S	S	.	*	H	α-helix	trans	-83.8	-16.6	-178.8	68.3	0	0	0	0	114.1	C3 I4	C3-S6 PolarHBondContact O-N 3.25Å; C3-S6 VanDerWaalsContact O-N 3.17Å; C3-S6 PolarHBondContact O-OG 3.43Å; I4-S6 VanDerWaalsContact C-N 3.32Å; I4-S6 PolarHBondContact O-N 3.39Å
7	Q	41.8	Very low	45.1	Very low	141 Å²	141	117.4 Å²	117.4	66%	0.659	65%	0.645	S	S	*	*	H	α-helix	trans	-85	-32.6	172.6	-74.9	-176.2	-31.1	0	0	111.9	I4 Q10 M11	I4-Q7 PolarHBondContact O-N 3.31Å; Q7-Q10 PolarHBondContact O-N 3.22Å; Q7-M11 WeakPolarHBondContact O-CG 3.44Å; Q7-M11 PolarHBondContact O-N 2.73Å
8	L	46.3	Very low	46.3	Very low	95 Å²	95	118.7 Å²	118.7	50%	0.497	64%	0.64	S	S	.	*	H	α-helix	trans	-62.4	-41.5	174.3	-78.8	157.8	0	0	0	112.6	I4 Q10 M11	I4-L8 HydrophobicContact CG2-CD1 3.95Å; I4-L8 PolarHBondContact O-N 3.46Å; L8-Q10 PolarHBondContact O-N 3.1Å; L8-M11 PolarHBondContact O-N 2.97Å
9	D	43	Very low	48	Very low	119 Å²	119	115.2 Å²	115.2	64%	0.636	63%	0.625	S	S	*	*	H	α-helix	trans	-67.1	-20.6	178.8	-79.5	-18.9	0	0	0	113.8
10	Q	44.1	Very low	49.6	Very low	157 Å²	157	114.7 Å²	114.7	73%	0.734	62%	0.622	S	S	*	*	H	α-helix	trans	-88.3	-21.6	175.6	-73.8	-172.7	-7.9	0	0	113.2	Q7 L8	Q7-Q10 PolarHBondContact O-N 3.22Å; L8-Q10 PolarHBondContact O-N 3.1Å
11	M	48.7	Very low	51.4	Low	103 Å²	103	112.1 Å²	112.1	51%	0.507	61%	0.61	S	S	.	*	H	α-helix	trans	-80.6	-20.5	178.3	-68.1	179.7	80.7	0	0	113.2	Q7 L8 K13	Q7-M11 WeakPolarHBondContact O-CG 3.44Å; Q7-M11 PolarHBondContact O-N 2.73Å; L8-M11 PolarHBondContact O-N 2.97Å; M11-K13 PolarHBondContact O-N 3.05Å; M11-K13 VanDerWaalsContact O-N 3.12Å
12	M	48.4	Very low	53.9	Low	157 Å²	157	103.1 Å²	103.1	77%	0.773	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	8.7	175.6	-75.7	-169.6	141	0	0	115.1
13	K	47.3	Very low	56.7	Low	188 Å²	188	102.7 Å²	102.7	82%	0.817	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	27.9	176.9	-71.2	-173.3	179.7	177.2	0	113.7	M11	M11-K13 PolarHBondContact O-N 3.05Å; M11-K13 VanDerWaalsContact O-N 3.12Å
14	L	48.2	Very low	59.3	Low	80 Å²	80	100.6 Å²	100.6	42%	0.419	54%	0.537	S	S	.	.	S	Bend	trans	-95.2	153.7	175.4	-69.8	164.1	0	0	0	110.8	Y18	L14-Y18 HydrophobicContact CB-CG 4.45Å
15	P	50	Low	61.8	Low	82 Å²	82	97.3 Å²	97.3	53%	0.532	52%	0.52	S	S	.	.			trans	-52.2	148	174.8	-19.8	28.9	0	0	0	110.9	S17 Y18 S19	P15-S17 PolarHBondContact O-N 3.05Å; P15-Y18 HydrophobicContact CB-CD2 4.18Å; P15-Y18 HydrophobicContact CG-CD2 3.99Å; P15-Y18 HydrophobicContact CG-CE2 4.42Å; P15-Y18 WeakPolarHBondContact O-CB 3.17Å; P15-Y18 PolarHBondContact O-N 3.2Å; P15-S19 PolarHBondContact O-N 3.13Å
16	G	57.6	Low	64.2	Low	54 Å²	54	96.4 Å²	96.4	56%	0.557	52%	0.517	S	S	*	.	H	α-helix	trans	-46.4	-37.2	-171.4	0	0	0	0	0	115.4	Y18 S19 D20	G16-Y18 VanDerWaalsContact C-N 3.32Å; G16-Y18 PolarHBondContact O-N 3.39Å; G16-S19 PolarHBondContact O-N 3.05Å; G16-D20 PolarHBondContact O-N 2.88Å
17	S	58.4	Low	66.9	Low	80 Å²	80	96.5 Å²	96.5	56%	0.559	51%	0.51	S	S	*	.	H	α-helix	trans	-66.3	-26.1	177.6	67	0	0	0	0	115.2	P15 V21	P15-S17 PolarHBondContact O-N 3.05Å; S17-V21 WeakPolarHBondContact O-CG2 3.42Å
18	Y	67.3	Low	69.6	Low	140 Å²	140	89.8 Å²	89.8	55%	0.549	48%	0.479	S	S	.	.	H	α-helix	trans	-84	-27.9	177.4	-78.7	-86.5	0	0	0	111.8	L14 P15 G16 V22	L14-Y18 HydrophobicContact CB-CG 4.45Å; P15-Y18 HydrophobicContact CB-CD2 4.18Å; P15-Y18 HydrophobicContact CG-CD2 3.99Å; P15-Y18 HydrophobicContact CG-CE2 4.42Å; P15-Y18 WeakPolarHBondContact O-CB 3.17Å; P15-Y18 PolarHBondContact O-N 3.2Å; G16-Y18 VanDerWaalsContact C-N 3.32Å; G16-Y18 PolarHBondContact O-N 3.39Å; Y18-V22 VanDerWaalsContact O-CG2 3.26Å; Y18-V22 WeakPolarHBondContact O-CG2 3.45Å; Y18-V22 PolarHBondContact O-N 2.77Å; Y18-V22 VanDerWaalsContact O-N 3.17Å
19	S	77.9	Confident	71.9	Confident	52 Å²	52	87.9 Å²	87.9	36%	0.364	47%	0.467	S	S	.	.	H	α-helix	trans	-63.7	-46	174.6	-169.1	0	0	0	0	110.7	P15 G16 V21 V22 E23	P15-S19 PolarHBondContact O-N 3.13Å; G16-S19 PolarHBondContact O-N 3.05Å; S19-V21 PolarHBondContact O-N 3.38Å; S19-V22 PolarHBondContact O-N 3.29Å; S19-E23 WeakPolarHBondContact O-CB 3.11Å; S19-E23 PolarHBondContact O-N 3.21Å
20	D	81.1	Confident	74.5	Confident	106 Å²	106	88.9 Å²	88.9	57%	0.567	47%	0.468	S	S	*	.	H	α-helix	trans	-64.9	-38.2	-178.1	-58.1	-20.1	0	0	0	112.2	G16 K24	G16-D20 PolarHBondContact O-N 2.88Å; D20-K24 VanDerWaalsContact O-CB 3.31Å; D20-K24 WeakPolarHBondContact O-CB 3.35Å; D20-K24 PolarHBondContact O-N 3.43Å
21	V	86.4	Confident	77.1	Confident	61 Å²	61	82.4 Å²	82.4	37%	0.37	44%	0.439	S	S	.	.	H	α-helix	trans	-67.4	-41.7	176.6	172.9	0	0	0	0	111.3	S17 S19 K24 I25 L374	S17-V21 WeakPolarHBondContact O-CG2 3.42Å; S19-V21 PolarHBondContact O-N 3.38Å; V21-K24 PolarHBondContact O-N 3.41Å; V21-I25 HydrophobicContact CG1-CD1 3.92Å; V21-I25 VanDerWaalsContact O-CG1 3.31Å; V21-I25 WeakPolarHBondContact O-CG1 3.34Å; V21-I25 PolarHBondContact O-N 3.37Å; V21-L374 HydrophobicContact CG1-CD2 4.11Å
22	V	88.8	Confident	79.4	Confident	48 Å²	48	77.5 Å²	77.5	29%	0.291	41%	0.414	S	S	.	.	H	α-helix	trans	-65.2	-44.7	177.6	171	0	0	0	0	110.6	Y18 S19 K24 I25 C26	Y18-V22 VanDerWaalsContact O-CG2 3.26Å; Y18-V22 WeakPolarHBondContact O-CG2 3.45Å; Y18-V22 PolarHBondContact O-N 2.77Å; Y18-V22 VanDerWaalsContact O-N 3.17Å; S19-V22 PolarHBondContact O-N 3.29Å; V22-K24 VanDerWaalsContact C-N 3.35Å; V22-K24 PolarHBondContact O-N 3.27Å; V22-I25 PolarHBondContact O-N 3.38Å; V22-C26 PolarHBondContact O-N 3.19Å; V22-C26 PolarHBondContact O-SG 2.58Å; V22-C26 VanDerWaalsContact O-SG 3.36Å
23	E	91.5	Very high	81.8	Confident	116 Å²	116	72.6 Å²	72.6	54%	0.542	40%	0.396	S	S	.	.	H	α-helix	trans	-59	-46.6	176.4	-174.6	171.3	-167.4	0	0	111.4	S19 I25 C26 M27	S19-E23 WeakPolarHBondContact O-CB 3.11Å; S19-E23 PolarHBondContact O-N 3.21Å; E23-I25 PolarHBondContact O-N 3.09Å; E23-C26 PolarHBondContact O-N 2.99Å; E23-M27 WeakPolarHBondContact O-CG 3.3Å; E23-M27 PolarHBondContact O-N 3.24Å
24	K	93.1	Very high	84.1	Confident	38 Å²	38	68.1 Å²	68.1	17%	0.165	38%	0.377	C	S	.	.	H	α-helix	trans	-56.6	-46.6	175.2	-175.2	175	176.5	178.1	0	112.2	D20 V21 V22 M27 V28 L326 L374	D20-K24 VanDerWaalsContact O-CB 3.31Å; D20-K24 WeakPolarHBondContact O-CB 3.35Å; D20-K24 PolarHBondContact O-N 3.43Å; V21-K24 PolarHBondContact O-N 3.41Å; V22-K24 VanDerWaalsContact C-N 3.35Å; V22-K24 PolarHBondContact O-N 3.27Å; K24-M27 PolarHBondContact O-N 3.49Å; K24-V28 WeakPolarHBondContact O-CG2 3.41Å; K24-V28 PolarHBondContact O-N 3.34Å; K24-L326 WeakPolarHBondContact CE-O 3.3Å; K24-L326 HydrophobicContact CG-CD2 3.87Å; K24-L326 PolarHBondContact NZ-O 3.23Å; K24-L374 HydrophobicContact CD-CD2 3.97Å
25	I	93.5	Very high	86.5	Confident	65 Å²	65	64.5 Å²	64.5	33%	0.333	36%	0.358	S	S	.	.	H	α-helix	trans	-64.1	-42.1	177.7	-68.9	167	0	0	0	111.1	V21 V22 E23 M27 V28 E29 L374	V21-I25 HydrophobicContact CG1-CD1 3.92Å; V21-I25 VanDerWaalsContact O-CG1 3.31Å; V21-I25 WeakPolarHBondContact O-CG1 3.34Å; V21-I25 PolarHBondContact O-N 3.37Å; V22-I25 PolarHBondContact O-N 3.38Å; E23-I25 PolarHBondContact O-N 3.09Å; I25-M27 VanDerWaalsContact C-N 3.33Å; I25-M27 PolarHBondContact O-N 2.98Å; I25-V28 PolarHBondContact O-N 2.86Å; I25-E29 HydrophobicContact CG2-CG 4.41Å; I25-E29 WeakPolarHBondContact O-CB 3.31Å; I25-E29 WeakPolarHBondContact O-CG 3.27Å; I25-E29 PolarHBondContact O-N 2.64Å; I25-L374 HydrophobicContact CD1-CD1 4.13Å; I25-L374 HydrophobicContact CG1-CD1 4.1Å
26	C	94.8	Very high	88.7	Confident	70 Å²	70	67.7 Å²	67.7	47%	0.473	36%	0.36	S	S	.	.	H	α-helix	trans	-61.3	-40.5	176.9	-72.7	0	0	0	0	112.3	V22 E23 E29 Q30	V22-C26 PolarHBondContact O-N 3.19Å; V22-C26 PolarHBondContact O-SG 2.58Å; V22-C26 VanDerWaalsContact O-SG 3.36Å; E23-C26 PolarHBondContact O-N 2.99Å; C26-E29 PolarHBondContact O-N 3.14Å; C26-Q30 WeakPolarHBondContact O-CB 3.42Å; C26-Q30 PolarHBondContact O-N 2.93Å
27	M	97	Very high	90.6	Very high	74 Å²	74	66.4 Å²	66.4	37%	0.365	34%	0.34	S	S	.	.	H	α-helix	trans	-66.2	-41.2	176	-68	179.8	71.3	0	0	112.1	E23 K24 I25 Q30 I31 L326	E23-M27 WeakPolarHBondContact O-CG 3.3Å; E23-M27 PolarHBondContact O-N 3.24Å; K24-M27 PolarHBondContact O-N 3.49Å; I25-M27 VanDerWaalsContact C-N 3.33Å; I25-M27 PolarHBondContact O-N 2.98Å; M27-Q30 PolarHBondContact O-N 3.46Å; M27-I31 WeakPolarHBondContact O-CG1 3.47Å; M27-I31 PolarHBondContact O-N 2.97Å; M27-I31 VanDerWaalsContact O-N 3.1Å; M27-L326 HydrophobicContact CB-CD1 3.88Å; M27-L326 HydrophobicContact CB-CD2 3.91Å; M27-L326 HydrophobicContact CE-CD2 4.26Å; M27-L326 HydrophobicContact SD-CD2 4.02Å
28	V	97.7	Very high	92.5	Very high	1 Å²	1	66 Å²	66	1%	0.006	33%	0.331	C	S	.	.	H	α-helix	trans	-59.7	-49.8	173.6	170.4	0	0	0	0	110.4	K24 I25 Q30 I31 L32 L321 L326 I378	K24-V28 WeakPolarHBondContact O-CG2 3.41Å; K24-V28 PolarHBondContact O-N 3.34Å; I25-V28 PolarHBondContact O-N 2.86Å; V28-Q30 VanDerWaalsContact C-N 3.28Å; V28-Q30 PolarHBondContact O-N 3.31Å; V28-I31 PolarHBondContact O-N 3.13Å; V28-L32 HydrophobicContact CG1-CD1 3.71Å; V28-L32 HydrophobicContact CG1-CG 4.23Å; V28-L32 WeakPolarHBondContact O-CG 3.33Å; V28-L32 PolarHBondContact O-N 3.4Å; V28-L321 HydrophobicContact CG1-CD1 4.46Å; V28-L321 HydrophobicContact CG2-CD2 4.19Å; V28-L326 HydrophobicContact CG2-CB 4.07Å; V28-L326 HydrophobicContact CG2-CD1 4.24Å; V28-I378 HydrophobicContact CG1-CG1 4.49Å; V28-I378 HydrophobicContact CG1-CG2 4.05Å; V28-I378 HydrophobicContact CG2-CD1 4.07Å; V28-I378 HydrophobicContact CG2-CG1 4.28Å; V28-I378 HydrophobicContact CG2-CG2 4.24Å
29	E	96.1	Very high	93.9	Very high	54 Å²	54	62.9 Å²	62.9	25%	0.252	32%	0.321	S	S	.	.	H	α-helix	trans	-60.1	-37	177.8	-78.3	-67.6	141.2	0	0	112.6	I25 C26 L32 S33 R36	I25-E29 HydrophobicContact CG2-CG 4.41Å; I25-E29 WeakPolarHBondContact O-CB 3.31Å; I25-E29 WeakPolarHBondContact O-CG 3.27Å; I25-E29 PolarHBondContact O-N 2.64Å; C26-E29 PolarHBondContact O-N 3.14Å; E29-L32 PolarHBondContact O-N 3.36Å; E29-S33 WeakPolarHBondContact O-CB 3.41Å; E29-S33 PolarHBondContact O-N 2.94Å; E29-R36 IonicContact OE2-CZ 3.19Å; E29-R36 IonicContact OE2-NH1 2.67Å; E29-R36 IonicContact OE2-NH2 3.25Å; E29-R36 PolarHBondContact OE2-NH2 2.81Å
30	Q	97.1	Very high	94.9	Very high	141 Å²	141	66.5 Å²	66.5	66%	0.659	33%	0.332	S	S	*	.	H	α-helix	trans	-62.7	-45.9	175.7	-175.4	177.2	-8.3	0	0	111.4	C26 M27 V28 S33	C26-Q30 WeakPolarHBondContact O-CB 3.42Å; C26-Q30 PolarHBondContact O-N 2.93Å; M27-Q30 PolarHBondContact O-N 3.46Å; V28-Q30 VanDerWaalsContact C-N 3.28Å; V28-Q30 PolarHBondContact O-N 3.31Å; Q30-S33 WeakPolarHBondContact O-CB 3.4Å; Q30-S33 PolarHBondContact O-N 3.18Å; Q30-S33 PolarHBondContact O-OG 3.48Å
31	I	97.8	Very high	95.7	Very high	21 Å²	21	64.6 Å²	64.6	11%	0.108	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-44.3	176.6	-68.7	169.2	0	0	0	110.9	M27 V28 S33 Y285 K320 L321 E324 L326	M27-I31 WeakPolarHBondContact O-CG1 3.47Å; M27-I31 PolarHBondContact O-N 2.97Å; M27-I31 VanDerWaalsContact O-N 3.1Å; V28-I31 PolarHBondContact O-N 3.13Å; I31-S33 VanDerWaalsContact C-N 3.26Å; I31-S33 PolarHBondContact O-N 3.46Å; I31-Y285 WeakPolarHBondContact CG2-OH 3.4Å; I31-K320 HydrophobicContact CD1-CD 4.46Å; I31-K320 HydrophobicContact CG2-CD 3.9Å; I31-L321 HydrophobicContact CB-CD2 4.4Å; I31-L321 HydrophobicContact CD1-CD2 3.63Å; I31-L321 HydrophobicContact CG2-CD2 4.25Å; I31-E324 HydrophobicContact CD1-CG 4.49Å; I31-L326 HydrophobicContact CD1-CD1 3.73Å
32	L	98.1	Very high	96.3	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-73.3	-18.1	-178.5	-64.3	-178.7	0	0	0	113.2	V28 E29 E34 F35 V317 L381 V382	V28-L32 HydrophobicContact CG1-CD1 3.71Å; V28-L32 HydrophobicContact CG1-CG 4.23Å; V28-L32 WeakPolarHBondContact O-CG 3.33Å; V28-L32 PolarHBondContact O-N 3.4Å; E29-L32 PolarHBondContact O-N 3.36Å; L32-E34 PolarHBondContact O-N 3.03Å; L32-F35 WeakPolarHBondContact O-CB 3.49Å; L32-F35 PolarHBondContact O-N 3.44Å; L32-F35 VanDerWaalsContact O-N 3.08Å; L32-V317 HydrophobicContact CD2-CG1 3.75Å; L32-L381 HydrophobicContact CD1-CB 3.65Å; L32-V382 HydrophobicContact CD2-CG2 4.16Å
33	S	97.2	Very high	96.8	Very high	54 Å²	54	62.6 Å²	62.6	38%	0.378	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-61.6	-26.5	177.5	74.7	0	0	0	0	113.1	E29 Q30 I31 F35 R36	E29-S33 WeakPolarHBondContact O-CB 3.41Å; E29-S33 PolarHBondContact O-N 2.94Å; Q30-S33 WeakPolarHBondContact O-CB 3.4Å; Q30-S33 PolarHBondContact O-N 3.18Å; Q30-S33 PolarHBondContact O-OG 3.48Å; I31-S33 VanDerWaalsContact C-N 3.26Å; I31-S33 PolarHBondContact O-N 3.46Å; S33-F35 PolarHBondContact O-N 2.82Å; S33-R36 WeakPolarHBondContact O-CB 3.42Å; S33-R36 PolarHBondContact O-N 2.86Å
34	E	96.6	Very high	97.1	Very high	93 Å²	93	60.2 Å²	60.2	44%	0.435	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-62.6	-22.1	175.3	-64.1	179.8	-155.9	0	0	113.2	L32 R36 L283	L32-E34 PolarHBondContact O-N 3.03Å; E34-R36 VanDerWaalsContact C-N 3.32Å; E34-L283 HydrophobicContact CB-CD1 4.07Å; E34-L283 HydrophobicContact CB-CD2 3.91Å
35	F	98.1	Very high	97.4	Very high	5 Å²	5	58.4 Å²	58.4	2%	0.022	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-81.6	-12.7	177	-72.5	-98.3	0	0	0	113.1	L32 S33 L37 L283 Y285 V317 V386 R389	L32-F35 WeakPolarHBondContact O-CB 3.49Å; L32-F35 PolarHBondContact O-N 3.44Å; L32-F35 VanDerWaalsContact O-N 3.08Å; S33-F35 PolarHBondContact O-N 2.82Å; F35-L37 PolarHBondContact O-N 3.36Å; F35-L283 HydrophobicContact CD1-CD1 3.92Å; F35-L283 HydrophobicContact CD2-CD1 3.79Å; F35-L283 HydrophobicContact CE1-CD1 3.8Å; F35-L283 HydrophobicContact CE2-CD1 3.69Å; F35-L283 HydrophobicContact CG-CD1 3.89Å; F35-L283 HydrophobicContact CZ-CD1 3.67Å; F35-Y285 HydrophobicContact CE2-CD2 4.03Å; F35-Y285 AromaticContact CE2-CE2 3.6Å; F35-Y285 HydrophobicContact CE2-CE2 3.6Å; F35-Y285 AromaticContact CZ-CD2 3.55Å; F35-Y285 HydrophobicContact CZ-CD2 3.55Å; F35-Y285 AromaticContact CZ-CE2 3.63Å; F35-Y285 HydrophobicContact CZ-CE2 3.63Å; F35-Y285 HydrophobicContact CZ-CG 4.45Å; F35-V317 HydrophobicContact CE1-CG2 4.29Å; F35-V317 HydrophobicContact CE2-CG2 3.77Å; F35-V317 HydrophobicContact CZ-CG2 3.32Å; F35-V386 HydrophobicContact CD1-CG2 4.27Å; F35-V386 HydrophobicContact CE1-CG2 3.79Å; F35-V386 HydrophobicContact CZ-CG2 4.31Å; F35-R389 HydrophobicContact CB-CB 4.39Å; F35-R389 HydrophobicContact CD1-CB 4.3Å; F35-R389 WeakPolarHBondContact O-CB 3.47Å; F35-R389 WeakPolarHBondContact O-CG 3.26Å
36	R	97.5	Very high	97.7	Very high	149 Å²	149	56 Å²	56	56%	0.562	27%	0.272	S	S	*	.			trans	-85.4	114.3	-175.6	-63.4	-178.8	178.2	155.7	5.4	109.6	E29 S33 E34	E29-R36 IonicContact OE2-CZ 3.19Å; E29-R36 IonicContact OE2-NH1 2.67Å; E29-R36 IonicContact OE2-NH2 3.25Å; E29-R36 PolarHBondContact OE2-NH2 2.81Å; S33-R36 WeakPolarHBondContact O-CB 3.42Å; S33-R36 PolarHBondContact O-N 2.86Å; E34-R36 VanDerWaalsContact C-N 3.32Å
37	L	97.4	Very high	97.8	Very high	26 Å²	26	57.7 Å²	57.7	14%	0.136	27%	0.271	C	S	.	.			trans	-93.9	129.5	171.6	-61.6	168	0	0	0	109.8	F35 E41 L42 F281 R389 M393	F35-L37 PolarHBondContact O-N 3.36Å; L37-E41 VanDerWaalsContact CA-OE2 3.28Å; L37-E41 WeakPolarHBondContact CA-OE2 3.39Å; L37-E41 HydrophobicContact CD2-CB 4.36Å; L37-L42 HydrophobicContact CB-CD2 3.89Å; L37-L42 HydrophobicContact CB-CG 4.04Å; L37-L42 HydrophobicContact CD1-CD2 3.78Å; L37-L42 HydrophobicContact CG-CD2 4.49Å; L37-F281 HydrophobicContact CD2-CD1 4.03Å; L37-R389 HydrophobicContact CD1-CG 4.05Å; L37-R389 HydrophobicContact CG-CG 4.47Å; L37-M393 HydrophobicContact CD1-CG 3.66Å; L37-M393 HydrophobicContact CD1-SD 3.4Å; L37-M393 WeakPolarHBondContact CD1-SD 3.48Å
38	N	97.4	Very high	97.9	Very high	72 Å²	72	57.2 Å²	57.2	39%	0.385	27%	0.265	S	S	.	.			trans	-81.4	173.8	171.5	68.1	52.9	0	0	0	111.3	E40 E41 L42	N38-E40 PolarHBondContact O-N 3.19Å; N38-E40 WeakPolarHBondContact OD1-CB 3.36Å; N38-E40 PolarHBondContact OD1-N 2.98Å; N38-E40 PolarHBondContact OD1-OE2 2.88Å; N38-E41 VanDerWaalsContact CG-OE2 3.27Å; N38-E41 PolarHBondContact N-OE2 3.41Å; N38-E41 PolarHBondContact ND2-OE1 3.19Å; N38-E41 PolarHBondContact ND2-OE2 2.92Å; N38-E41 VanDerWaalsContact ND2-OE2 3.09Å; N38-E41 PolarHBondContact O-N 3.47Å; N38-E41 WeakPolarHBondContact OD1-CG 3.33Å; N38-E41 PolarHBondContact OD1-N 3.45Å; N38-L42 WeakPolarHBondContact O-CG 3.34Å; N38-L42 PolarHBondContact O-N 3.25Å; N38-L42 VanDerWaalsContact O-N 3.12Å
39	K	97.7	Very high	98	Very high	75 Å²	75	57.1 Å²	57.1	33%	0.326	27%	0.265	S	S	.	.	H	α-helix	trans	-63.1	-44.5	-176.2	-177.2	-176	-172.8	136.6	0	111.7	E41 L42 E43 E441	K39-E41 VanDerWaalsContact C-N 3.3Å; K39-E41 PolarHBondContact O-N 2.98Å; K39-L42 PolarHBondContact O-N 3.36Å; K39-L42 VanDerWaalsContact O-N 3.16Å; K39-E43 WeakPolarHBondContact CE-OE1 3.44Å; K39-E43 HydrophobicContact CG-CG 4.43Å; K39-E43 WeakPolarHBondContact O-CG 3.49Å; K39-E43 PolarHBondContact O-N 2.94Å; K39-E441 VanDerWaalsContact CD-OE1 3.29Å; K39-E441 WeakPolarHBondContact CD-OE1 3.31Å; K39-E441 WeakPolarHBondContact CE-OE1 3.47Å; K39-E441 IonicContact NZ-OE1 3.48Å; K39-E441 PolarHBondContact NZ-OE1 3.23Å
40	E	98.4	Very high	98.1	Very high	127 Å²	127	55.4 Å²	55.4	59%	0.593	26%	0.257	S	S	*	.	H	α-helix	trans	-62.9	-38.8	-177.6	-64.4	75	-168.8	0	0	111.4	N38 E43 E44	N38-E40 PolarHBondContact O-N 3.19Å; N38-E40 WeakPolarHBondContact OD1-CB 3.36Å; N38-E40 PolarHBondContact OD1-N 2.98Å; N38-E40 PolarHBondContact OD1-OE2 2.88Å; E40-E43 PolarHBondContact O-N 3.36Å; E40-E44 PolarHBondContact O-N 3.04Å
41	E	98.5	Very high	98.1	Very high	67 Å²	67	54 Å²	54	31%	0.313	25%	0.25	S	S	.	.	H	α-helix	trans	-63.6	-43.6	173	-73.6	167.9	161.8	0	0	111.7	L37 N38 K39 E44 V45 F281	L37-E41 VanDerWaalsContact CA-OE2 3.28Å; L37-E41 WeakPolarHBondContact CA-OE2 3.39Å; L37-E41 HydrophobicContact CD2-CB 4.36Å; N38-E41 VanDerWaalsContact CG-OE2 3.27Å; N38-E41 PolarHBondContact N-OE2 3.41Å; N38-E41 PolarHBondContact ND2-OE1 3.19Å; N38-E41 PolarHBondContact ND2-OE2 2.92Å; N38-E41 VanDerWaalsContact ND2-OE2 3.09Å; N38-E41 PolarHBondContact O-N 3.47Å; N38-E41 WeakPolarHBondContact OD1-CG 3.33Å; N38-E41 PolarHBondContact OD1-N 3.45Å; K39-E41 VanDerWaalsContact C-N 3.3Å; K39-E41 PolarHBondContact O-N 2.98Å; E41-E44 WeakPolarHBondContact O-CB 2.74Å; E41-E44 PolarHBondContact O-N 2.97Å; E41-V45 WeakPolarHBondContact O-CG2 3.31Å; E41-V45 PolarHBondContact O-N 3.12Å; E41-F281 HydrophobicContact CB-CE1 3.84Å; E41-F281 HydrophobicContact CG-CE1 4.04Å
42	L	98.8	Very high	98.2	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-67.6	-37.6	177.1	-65.4	171.6	0	0	0	112.4	L37 N38 K39 E44 V45 M46 H392 A396 V438 L442	L37-L42 HydrophobicContact CB-CD2 3.89Å; L37-L42 HydrophobicContact CB-CG 4.04Å; L37-L42 HydrophobicContact CD1-CD2 3.78Å; L37-L42 HydrophobicContact CG-CD2 4.49Å; N38-L42 WeakPolarHBondContact O-CG 3.34Å; N38-L42 PolarHBondContact O-N 3.25Å; N38-L42 VanDerWaalsContact O-N 3.12Å; K39-L42 PolarHBondContact O-N 3.36Å; K39-L42 VanDerWaalsContact O-N 3.16Å; L42-E44 VanDerWaalsContact C-N 3.29Å; L42-E44 PolarHBondContact O-N 3Å; L42-V45 PolarHBondContact O-N 3.09Å; L42-M46 WeakPolarHBondContact O-CB 3.26Å; L42-M46 PolarHBondContact O-N 3.1Å; L42-H392 HydrophobicContact CD1-CB 4.25Å; L42-H392 HydrophobicContact CD2-CB 3.89Å; L42-A396 HydrophobicContact CB-CB 4.33Å; L42-A396 HydrophobicContact CD2-CB 4.15Å; L42-A396 WeakPolarHBondContact O-CB 3.35Å; L42-V438 HydrophobicContact CD1-CG1 4.05Å; L42-V438 HydrophobicContact CD1-CG2 4.18Å; L42-L442 HydrophobicContact CB-CD1 4.08Å
43	E	98.7	Very high	98.2	Very high	61 Å²	61	53.3 Å²	53.3	29%	0.285	25%	0.246	S	C	.	.	H	α-helix	trans	-62.9	-35.7	172	-75.5	-179.9	-173.2	0	0	112	K39 E40 M46 K47 L442	K39-E43 WeakPolarHBondContact CE-OE1 3.44Å; K39-E43 HydrophobicContact CG-CG 4.43Å; K39-E43 WeakPolarHBondContact O-CG 3.49Å; K39-E43 PolarHBondContact O-N 2.94Å; E40-E43 PolarHBondContact O-N 3.36Å; E43-M46 WeakPolarHBondContact O-CB 3.44Å; E43-K47 VanDerWaalsContact O-CG 3.26Å; E43-K47 WeakPolarHBondContact O-CG 3.43Å; E43-K47 PolarHBondContact O-N 3.41Å; E43-L442 HydrophobicContact CG-CD2 3.53Å
44	E	98.7	Very high	98.3	Very high	66 Å²	66	52.5 Å²	52.5	31%	0.308	24%	0.238	S	C	.	.	H	α-helix	trans	-69.2	-45.9	176.3	-177.7	60.1	-165.3	0	0	111.6	E40 E41 L42 M46 K47 R48 F281	E40-E44 PolarHBondContact O-N 3.04Å; E41-E44 WeakPolarHBondContact O-CB 2.74Å; E41-E44 PolarHBondContact O-N 2.97Å; L42-E44 VanDerWaalsContact C-N 3.29Å; L42-E44 PolarHBondContact O-N 3Å; E44-M46 VanDerWaalsContact C-N 3.27Å; E44-M46 PolarHBondContact O-N 3.27Å; E44-K47 PolarHBondContact O-N 3.17Å; E44-R48 WeakPolarHBondContact O-CG 3.48Å; E44-R48 PolarHBondContact O-N 3.04Å; E44-R48 IonicContact OE1-CZ 3.4Å; E44-R48 VanDerWaalsContact OE1-CZ 3.25Å; E44-R48 IonicContact OE1-NE 3.18Å; E44-R48 PolarHBondContact OE1-NE 3.47Å; E44-R48 IonicContact OE1-NH2 3.6Å; E44-R48 PolarHBondContact OE1-NH2 3.31Å; E44-F281 HydrophobicContact CB-CZ 4.28Å; E44-F281 HydrophobicContact CG-CZ 4.14Å
45	V	98.8	Very high	98.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.2	-44.6	173.1	172.2	0	0	0	0	110.7	E41 L42 R48 M49 F272 L278 F281 M393 A396	E41-V45 WeakPolarHBondContact O-CG2 3.31Å; E41-V45 PolarHBondContact O-N 3.12Å; L42-V45 PolarHBondContact O-N 3.09Å; V45-R48 PolarHBondContact O-N 3.38Å; V45-M49 PolarHBondContact O-N 3.16Å; V45-F272 HydrophobicContact CG1-CE1 4.16Å; V45-L278 HydrophobicContact CG1-CD2 4.43Å; V45-L278 HydrophobicContact CG2-CD2 4.32Å; V45-F281 HydrophobicContact CG2-CD1 4.19Å; V45-F281 HydrophobicContact CG2-CD2 3.88Å; V45-F281 HydrophobicContact CG2-CE1 4.06Å; V45-F281 HydrophobicContact CG2-CE2 3.72Å; V45-F281 HydrophobicContact CG2-CG 4.11Å; V45-F281 HydrophobicContact CG2-CZ 3.82Å; V45-M393 HydrophobicContact CG1-CE 4.28Å; V45-M393 HydrophobicContact CG1-SD 4.29Å; V45-M393 HydrophobicContact CG2-CE 4.34Å; V45-M393 HydrophobicContact CG2-SD 4.08Å; V45-A396 HydrophobicContact CB-CB 4.14Å; V45-A396 HydrophobicContact CG1-CB 3.9Å
46	M	98.6	Very high	98.3	Very high	15 Å²	15	50.1 Å²	50.1	7%	0.074	23%	0.225	C	C	.	.	H	α-helix	trans	-59	-48.7	176.5	179.7	-165.8	73.8	0	0	112.2	L42 E43 E44 R48 M49 Q50 A399 N403 L442	L42-M46 WeakPolarHBondContact O-CB 3.26Å; L42-M46 PolarHBondContact O-N 3.1Å; E43-M46 WeakPolarHBondContact O-CB 3.44Å; E44-M46 VanDerWaalsContact C-N 3.27Å; E44-M46 PolarHBondContact O-N 3.27Å; M46-R48 PolarHBondContact O-N 2.64Å; M46-M49 WeakPolarHBondContact O-CB 3.13Å; M46-M49 PolarHBondContact O-N 3.34Å; M46-Q50 PolarHBondContact O-N 3.13Å; M46-A399 HydrophobicContact CG-CB 4.14Å; M46-A399 HydrophobicContact SD-CB 3.93Å; M46-N403 PolarHBondContact SD-ND2 3.35Å; M46-L442 HydrophobicContact SD-CB 4.02Å
47	K	98.6	Very high	98.3	Very high	105 Å²	105	43 Å²	43	46%	0.457	20%	0.198	S	C	.	.	H	α-helix	trans	-63.8	-39.7	179.5	-73.5	165.9	-170.4	159.5	0	112.1	E43 E44 Q50 H51	E43-K47 VanDerWaalsContact O-CG 3.26Å; E43-K47 WeakPolarHBondContact O-CG 3.43Å; E43-K47 PolarHBondContact O-N 3.41Å; E44-K47 PolarHBondContact O-N 3.17Å; K47-Q50 PolarHBondContact O-N 2.95Å; K47-H51 PolarHBondContact O-N 3.49Å
48	R	98.7	Very high	98.4	Very high	63 Å²	63	47.8 Å²	47.8	24%	0.238	21%	0.214	C	C	.	.	H	α-helix	trans	-66.4	-38.6	176.1	-71.3	-176	-170.3	174.2	10.8	112.2	E44 V45 M46 H51 E52 F272 E277 E280	E44-R48 WeakPolarHBondContact O-CG 3.48Å; E44-R48 PolarHBondContact O-N 3.04Å; E44-R48 IonicContact OE1-CZ 3.4Å; E44-R48 VanDerWaalsContact OE1-CZ 3.25Å; E44-R48 IonicContact OE1-NE 3.18Å; E44-R48 PolarHBondContact OE1-NE 3.47Å; E44-R48 IonicContact OE1-NH2 3.6Å; E44-R48 PolarHBondContact OE1-NH2 3.31Å; V45-R48 PolarHBondContact O-N 3.38Å; M46-R48 PolarHBondContact O-N 2.64Å; R48-H51 WeakPolarHBondContact O-CB 3.43Å; R48-H51 PolarHBondContact O-N 3.12Å; R48-E52 PolarHBondContact O-N 3.48Å; R48-F272 HydrophobicContact CB-CE2 4.03Å; R48-F272 HydrophobicContact CB-CZ 3.66Å; R48-E277 VanDerWaalsContact CD-O 3.24Å; R48-E277 WeakPolarHBondContact CD-O 3.01Å; R48-E277 PolarHBondContact NH1-O 2.87Å; R48-E280 IonicContact CZ-OE1 3.04Å; R48-E280 IonicContact NH1-OE1 3.41Å; R48-E280 PolarHBondContact NH1-OE1 3.19Å; R48-E280 IonicContact NH2-OE1 3.94Å; R48-E280 PolarHBondContact NH2-OE1 3.07Å
49	M	98.7	Very high	98.3	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.7	-50.1	171.6	-179.9	63.4	74.6	0	0	110.8	V45 M46 H51 E52 M53 V67 W269 F272 Y301	V45-M49 PolarHBondContact O-N 3.16Å; M46-M49 WeakPolarHBondContact O-CB 3.13Å; M46-M49 PolarHBondContact O-N 3.34Å; M49-H51 VanDerWaalsContact C-N 3.27Å; M49-H51 PolarHBondContact O-N 2.92Å; M49-E52 PolarHBondContact O-N 2.84Å; M49-M53 HydrophobicContact CG-CG 4.35Å; M49-M53 HydrophobicContact CG-SD 3.98Å; M49-M53 WeakPolarHBondContact O-CB 3.43Å; M49-M53 VanDerWaalsContact O-CG 3.24Å; M49-M53 WeakPolarHBondContact O-CG 3.31Å; M49-M53 PolarHBondContact O-N 3.26Å; M49-M53 HydrophobicContact SD-CG 4.3Å; M49-M53 HydrophobicContact SD-SD 4.5Å; M49-V67 HydrophobicContact SD-CG2 3.98Å; M49-W269 HydrophobicContact CE-CB 3.98Å; M49-W269 HydrophobicContact CE-CE3 4.26Å; M49-W269 HydrophobicContact CE-CG 4.47Å; M49-W269 HydrophobicContact SD-CB 4.12Å; M49-F272 HydrophobicContact CB-CE1 4.3Å; M49-F272 HydrophobicContact CB-CZ 4.36Å; M49-F272 HydrophobicContact CE-CB 3.87Å; M49-F272 HydrophobicContact CE-CD1 3.27Å; M49-F272 HydrophobicContact CE-CE1 3.88Å; M49-F272 HydrophobicContact CE-CG 3.66Å; M49-F272 HydrophobicContact SD-CB 4.48Å; M49-F272 HydrophobicContact SD-CD1 4.3Å; M49-F272 HydrophobicContact SD-CG 4.25Å; M49-Y301 HydrophobicContact CE-CD1 4.13Å; M49-Y301 HydrophobicContact CE-CE1 3.71Å
50	Q	98.5	Very high	98.2	Very high	18 Å²	18	55 Å²	55	8%	0.084	25%	0.25	C	S	.	.	H	α-helix	trans	-58.7	-39.2	176.4	-69.8	178.5	-75.1	0	0	112	M46 K47 N54 G400 Q404 E407	M46-Q50 PolarHBondContact O-N 3.13Å; K47-Q50 PolarHBondContact O-N 2.95Å; Q50-N54 WeakPolarHBondContact O-CB 3.26Å; Q50-N54 PolarHBondContact O-N 2.73Å; Q50-N54 PolarHBondContact O-ND2 2.66Å; Q50-G400 VanDerWaalsContact CG-O 3.28Å; Q50-G400 WeakPolarHBondContact CG-O 3.35Å; Q50-Q404 HydrophobicContact CG-CB 4.41Å; Q50-E407 PolarHBondContact NE2-OE1 2.95Å
51	H	98.4	Very high	98.2	Very high	112 Å²	112	50.6 Å²	50.6	52%	0.519	23%	0.232	S	C	.	.	H	α-helix	trans	-60.9	-49.8	176.3	-176.2	72.6	0	0	0	112	K47 R48 M49 N54 R55	K47-H51 PolarHBondContact O-N 3.49Å; R48-H51 WeakPolarHBondContact O-CB 3.43Å; R48-H51 PolarHBondContact O-N 3.12Å; M49-H51 VanDerWaalsContact C-N 3.27Å; M49-H51 PolarHBondContact O-N 2.92Å; H51-N54 WeakPolarHBondContact O-CB 3.19Å; H51-N54 PolarHBondContact O-N 2.79Å; H51-R55 WeakPolarHBondContact NE2-CD 3.28Å; H51-R55 PolarHBondContact O-N 2.76Å
52	E	98.6	Very high	98.1	Very high	5 Å²	5	49.3 Å²	49.3	2%	0.023	23%	0.225	C	C	.	.	H	α-helix	trans	-67.7	-36.4	179.2	-73.3	-55.7	121.7	0	0	112.7	R48 M49 N54 R55 G56 S66 V67 F272 E277	R48-E52 PolarHBondContact O-N 3.48Å; M49-E52 PolarHBondContact O-N 2.84Å; E52-N54 VanDerWaalsContact C-N 3.31Å; E52-N54 PolarHBondContact O-N 2.78Å; E52-R55 VanDerWaalsContact CD-NH1 3.26Å; E52-R55 PolarHBondContact O-N 3.38Å; E52-R55 VanDerWaalsContact O-N 3.15Å; E52-R55 WeakPolarHBondContact OE1-CD 3.41Å; E52-R55 IonicContact OE1-CZ 3.81Å; E52-R55 IonicContact OE1-NE 3.43Å; E52-R55 IonicContact OE1-NH1 3.97Å; E52-R55 PolarHBondContact OE1-NH1 3.18Å; E52-R55 IonicContact OE2-CZ 2.84Å; E52-R55 IonicContact OE2-NH1 2.84Å; E52-R55 PolarHBondContact OE2-NH1 3.45Å; E52-G56 PolarHBondContact O-N 3.35Å; E52-S66 PolarHBondContact OE2-N 3.29Å; E52-S66 VanDerWaalsContact OE2-N 3.17Å; E52-S66 PolarHBondContact OE2-OG 2.99Å; E52-V67 HydrophobicContact CB-CB 4.04Å; E52-V67 HydrophobicContact CB-CG2 3.7Å; E52-F272 HydrophobicContact CB-CD2 4.37Å; E52-F272 HydrophobicContact CG-CD2 4.07Å; E52-F272 HydrophobicContact CG-CE2 4.07Å; E52-E277 HydrophobicContact CG-CG 3.92Å
53	M	98.6	Very high	97.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-43.7	171.4	-70.7	174.3	68.1	0	0	111.4	M49 R55 G56 L57 V67 M69 Y246 V401 Q404	M49-M53 HydrophobicContact CG-CG 4.35Å; M49-M53 HydrophobicContact CG-SD 3.98Å; M49-M53 WeakPolarHBondContact O-CB 3.43Å; M49-M53 VanDerWaalsContact O-CG 3.24Å; M49-M53 WeakPolarHBondContact O-CG 3.31Å; M49-M53 PolarHBondContact O-N 3.26Å; M49-M53 HydrophobicContact SD-CG 4.3Å; M49-M53 HydrophobicContact SD-SD 4.5Å; M53-R55 VanDerWaalsContact C-N 3.33Å; M53-R55 PolarHBondContact O-N 3.18Å; M53-G56 PolarHBondContact O-N 2.66Å; M53-L57 WeakPolarHBondContact O-CG 3.43Å; M53-L57 PolarHBondContact O-N 2.69Å; M53-L57 VanDerWaalsContact O-N 3.13Å; M53-V67 HydrophobicContact CG-CG1 4.15Å; M53-M69 HydrophobicContact CB-CE 4Å; M53-M69 HydrophobicContact CB-SD 3.9Å; M53-M69 HydrophobicContact CE-CE 3.77Å; M53-M69 HydrophobicContact CE-SD 4.34Å; M53-M69 HydrophobicContact CG-CE 4.18Å; M53-M69 HydrophobicContact CG-SD 3.74Å; M53-M69 WeakPolarHBondContact O-CG 3.49Å; M53-Y246 HydrophobicContact CE-CD1 4.33Å; M53-Y246 HydrophobicContact CE-CE1 3.47Å; M53-Y246 VanDerWaalsContact CE-CE1 3.47Å; M53-V401 HydrophobicContact CE-CB 4.27Å; M53-V401 HydrophobicContact CE-CG1 4.4Å; M53-V401 HydrophobicContact CE-CG2 3.82Å; M53-V401 HydrophobicContact SD-CG2 3.84Å; M53-Q404 VanDerWaalsContact CB-OE1 3.31Å
54	N	98.3	Very high	97.7	Very high	38 Å²	38	61 Å²	61	20%	0.203	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-35.9	175.9	-76.4	-56.6	0	0	0	112.6	Q50 H51 E52 R58 R408	Q50-N54 WeakPolarHBondContact O-CB 3.26Å; Q50-N54 PolarHBondContact O-N 2.73Å; Q50-N54 PolarHBondContact O-ND2 2.66Å; H51-N54 WeakPolarHBondContact O-CB 3.19Å; H51-N54 PolarHBondContact O-N 2.79Å; E52-N54 VanDerWaalsContact C-N 3.31Å; E52-N54 PolarHBondContact O-N 2.78Å; N54-R58 WeakPolarHBondContact O-CG 3.48Å; N54-R408 PolarHBondContact OD1-NH2 3.34Å
55	R	98.2	Very high	97.6	Very high	47 Å²	47	58 Å²	58	18%	0.177	27%	0.266	C	S	.	.	H	α-helix	trans	-67.6	-40	174	-71.9	-179.6	65.6	-146.4	-1.5	111.6	H51 E52 M53 L57 R58 T61 H62 E64 A65	H51-R55 WeakPolarHBondContact NE2-CD 3.28Å; H51-R55 PolarHBondContact O-N 2.76Å; E52-R55 VanDerWaalsContact CD-NH1 3.26Å; E52-R55 PolarHBondContact O-N 3.38Å; E52-R55 VanDerWaalsContact O-N 3.15Å; E52-R55 WeakPolarHBondContact OE1-CD 3.41Å; E52-R55 IonicContact OE1-CZ 3.81Å; E52-R55 IonicContact OE1-NE 3.43Å; E52-R55 IonicContact OE1-NH1 3.97Å; E52-R55 PolarHBondContact OE1-NH1 3.18Å; E52-R55 IonicContact OE2-CZ 2.84Å; E52-R55 IonicContact OE2-NH1 2.84Å; E52-R55 PolarHBondContact OE2-NH1 3.45Å; M53-R55 VanDerWaalsContact C-N 3.33Å; M53-R55 PolarHBondContact O-N 3.18Å; R55-L57 VanDerWaalsContact C-N 3.31Å; R55-L57 PolarHBondContact O-N 3.2Å; R55-R58 PolarHBondContact O-N 3.14Å; R55-T61 VanDerWaalsContact CA-OG1 3.26Å; R55-T61 WeakPolarHBondContact CA-OG1 3.33Å; R55-T61 CarbonylContact O-C 3.52Å; R55-T61 PolarHBondContact O-OG1 3.32Å; R55-H62 PolarHBondContact O-N 3.29Å; R55-E64 PolarHBondContact NH2-O 3.26Å; R55-E64 IonicContact NH2-OE2 2.71Å; R55-A65 HydrophobicContact CB-CB 3.88Å
56	G	98.1	Very high	97.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.6	-32.2	179	0	0	0	0	0	113.7	E52 M53 H62 V67	E52-G56 PolarHBondContact O-N 3.35Å; M53-G56 PolarHBondContact O-N 2.66Å; G56-H62 PolarHBondContact O-ND1 2.83Å; G56-V67 VanDerWaalsContact CA-O 3.26Å; G56-V67 WeakPolarHBondContact CA-O 3.38Å
57	L	97.9	Very high	97.5	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-79.3	-20.4	-179.9	-73	169.8	0	0	0	114.5	M53 R55 M69 E248 V253 E254 V265	M53-L57 WeakPolarHBondContact O-CG 3.43Å; M53-L57 PolarHBondContact O-N 2.69Å; M53-L57 VanDerWaalsContact O-N 3.13Å; R55-L57 VanDerWaalsContact C-N 3.31Å; R55-L57 PolarHBondContact O-N 3.2Å; L57-M69 HydrophobicContact CD1-CE 3.98Å; L57-M69 HydrophobicContact CD2-CB 3.85Å; L57-M69 HydrophobicContact CD2-CE 4.04Å; L57-M69 HydrophobicContact CD2-CG 4.49Å; L57-M69 HydrophobicContact CG-CB 3.96Å; L57-M69 HydrophobicContact CG-CE 3.89Å; L57-M69 HydrophobicContact CG-CG 4.12Å; L57-E248 HydrophobicContact CD1-CG 4.29Å; L57-E248 HydrophobicContact CD2-CG 4.42Å; L57-V253 HydrophobicContact CD2-CG2 4.14Å; L57-E254 PolarHBondContact O-N 3.09Å; L57-E254 VanDerWaalsContact O-N 3.14Å; L57-V265 HydrophobicContact CD2-CG1 4.34Å; L57-V265 HydrophobicContact CD2-CG2 4.31Å
58	R	97.6	Very high	97.3	Very high	126 Å²	126	55.4 Å²	55.4	48%	0.475	26%	0.256	S	S	.	.	S	Bend	trans	-90.5	137.1	-176	-71.8	177.3	-174.6	-159.5	1.9	111.9	N54 R55 E60 T61 H62 E254	N54-R58 WeakPolarHBondContact O-CG 3.48Å; R55-R58 PolarHBondContact O-N 3.14Å; R58-E60 VanDerWaalsContact C-N 3.27Å; R58-E60 PolarHBondContact O-N 3.29Å; R58-T61 WeakPolarHBondContact CB-OG1 3.44Å; R58-T61 PolarHBondContact O-N 3.1Å; R58-H62 VanDerWaalsContact O-CB 3.26Å; R58-H62 WeakPolarHBondContact O-CB 3.48Å; R58-H62 PolarHBondContact O-N 2.82Å; R58-E254 VanDerWaalsContact CA-OE2 3.32Å; R58-E254 WeakPolarHBondContact CA-OE2 3.49Å
59	L	95.6	Very high	97.3	Very high	119 Å²	119	52.4 Å²	52.4	62%	0.623	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-39.6	-178.1	-175	66.4	0	0	0	111.8	T61 E254 L255	L59-T61 PolarHBondContact O-N 3.18Å; L59-E254 HydrophobicContact CB-CB 4.16Å; L59-E254 PolarHBondContact N-OE2 3.38Å; L59-L255 HydrophobicContact CD1-CD2 4.38Å
60	E	97.2	Very high	97.2	Very high	180 Å²	180	52.8 Å²	52.8	84%	0.841	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-30.8	-176.9	-63	-177.2	170.4	0	0	113.8	R58	R58-E60 VanDerWaalsContact C-N 3.27Å; R58-E60 PolarHBondContact O-N 3.29Å
61	T	97.7	Very high	97	Very high	34 Å²	34	52.7 Å²	52.7	21%	0.209	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-7.7	-171.5	51.1	0	0	0	0	114	R55 R58 L59 E63 E64 A65	R55-T61 VanDerWaalsContact CA-OG1 3.26Å; R55-T61 WeakPolarHBondContact CA-OG1 3.33Å; R55-T61 CarbonylContact O-C 3.52Å; R55-T61 PolarHBondContact O-OG1 3.32Å; R58-T61 WeakPolarHBondContact CB-OG1 3.44Å; R58-T61 PolarHBondContact O-N 3.1Å; L59-T61 PolarHBondContact O-N 3.18Å; T61-E63 VanDerWaalsContact C-N 3.33Å; T61-E63 PolarHBondContact O-N 2.93Å; T61-E64 PolarHBondContact O-N 3.5Å; T61-A65 PolarHBondContact O-N 2.91Å
62	H	96.6	Very high	96.8	Very high	39 Å²	39	47.5 Å²	47.5	18%	0.181	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-40.6	-174.5	177	79.8	0	0	0	114	R55 G56 R58 E64 A65 K68 L255	R55-H62 PolarHBondContact O-N 3.29Å; G56-H62 PolarHBondContact O-ND1 2.83Å; R58-H62 VanDerWaalsContact O-CB 3.26Å; R58-H62 WeakPolarHBondContact O-CB 3.48Å; R58-H62 PolarHBondContact O-N 2.82Å; H62-E64 VanDerWaalsContact C-N 3.28Å; H62-E64 PolarHBondContact O-N 3.28Å; H62-A65 PolarHBondContact O-N 3.38Å; H62-K68 PolarHBondContact CE1-O 3.07Å; H62-K68 PolarHBondContact ND1-O 3.42Å; H62-K68 VanDerWaalsContact ND1-O 3.12Å; H62-K68 PolarHBondContact O-NZ 2.89Å; H62-L255 HydrophobicContact CB-CD2 3.81Å; H62-L255 VanDerWaalsContact CE1-CD1 3.5Å; H62-L255 WeakPolarHBondContact CE1-CD1 3.48Å; H62-L255 WeakPolarHBondContact ND1-CD1 3.43Å
63	E	93.9	Very high	96.4	Very high	175 Å²	175	50.9 Å²	50.9	82%	0.818	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-36.9	-178.7	-68.5	-167.9	166.1	0	0	112	T61 K68	T61-E63 VanDerWaalsContact C-N 3.33Å; T61-E63 PolarHBondContact O-N 2.93Å; E63-K68 PolarHBondContact O-NZ 3.24Å
64	E	95.2	Very high	96	Very high	139 Å²	139	51.3 Å²	51.3	65%	0.65	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-15.1	-177.9	-60.9	-178.9	170.1	0	0	114	R55 T61 H62	R55-E64 PolarHBondContact NH2-O 3.26Å; R55-E64 IonicContact NH2-OE2 2.71Å; T61-E64 PolarHBondContact O-N 3.5Å; H62-E64 VanDerWaalsContact C-N 3.28Å; H62-E64 PolarHBondContact O-N 3.28Å
65	A	96.9	Very high	95.4	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.008	25%	0.25	C	S	.	.			trans	-64.6	136.1	179.6	0	0	0	0	0	110.7	R55 T61 H62 K68	R55-A65 HydrophobicContact CB-CB 3.88Å; T61-A65 PolarHBondContact O-N 2.91Å; H62-A65 PolarHBondContact O-N 3.38Å; A65-K68 WeakPolarHBondContact O-CD 3.34Å; A65-K68 WeakPolarHBondContact O-CE 2.89Å; A65-K68 PolarHBondContact O-NZ 3.27Å
66	S	95.8	Very high	94.4	Very high	8 Å²	8	52.5 Å²	52.5	6%	0.056	26%	0.257	C	S	.	.	S	Bend	trans	-74.6	-37.4	175.5	58.8	0	0	0	0	111	E52 A271 E277	E52-S66 PolarHBondContact OE2-N 3.29Å; E52-S66 VanDerWaalsContact OE2-N 3.17Å; E52-S66 PolarHBondContact OE2-OG 2.99Å; S66-A271 WeakPolarHBondContact CB-O 3.27Å; S66-A271 VanDerWaalsContact O-CB 3.29Å; S66-A271 WeakPolarHBondContact O-CB 3.44Å; S66-E277 VanDerWaalsContact CB-OE1 3.28Å; S66-E277 WeakPolarHBondContact CB-OE1 3.34Å; S66-E277 PolarHBondContact OG-OE1 3.42Å
67	V	97.8	Very high	93.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-89.9	110.1	172.4	-175.2	0	0	0	0	109.2	M49 E52 M53 G56 M69 T267 W269 F272	M49-V67 HydrophobicContact SD-CG2 3.98Å; E52-V67 HydrophobicContact CB-CB 4.04Å; E52-V67 HydrophobicContact CB-CG2 3.7Å; M53-V67 HydrophobicContact CG-CG1 4.15Å; G56-V67 VanDerWaalsContact CA-O 3.26Å; G56-V67 WeakPolarHBondContact CA-O 3.38Å; V67-M69 HydrophobicContact CG1-CG 4.05Å; V67-M69 HydrophobicContact CG1-SD 3.59Å; V67-M69 VanDerWaalsContact CG1-SD 3.59Å; V67-T267 VanDerWaalsContact CG1-O 3.28Å; V67-T267 WeakPolarHBondContact CG1-O 3.41Å; V67-W269 HydrophobicContact CG1-CB 4.4Å; V67-F272 HydrophobicContact CG2-CB 3.81Å; V67-F272 HydrophobicContact CG2-CD2 4.19Å; V67-F272 HydrophobicContact CG2-CG 4.32Å
68	K	95.5	Very high	92.3	Very high	59 Å²	59	53.4 Å²	53.4	26%	0.257	26%	0.262	S	S	.	.			trans	-77.5	-25.9	-167.9	-69.7	-53.2	-170.6	-165.1	0	115.3	H62 E63 A65 L70 T267	H62-K68 PolarHBondContact CE1-O 3.07Å; H62-K68 PolarHBondContact ND1-O 3.42Å; H62-K68 VanDerWaalsContact ND1-O 3.12Å; H62-K68 PolarHBondContact O-NZ 2.89Å; E63-K68 PolarHBondContact O-NZ 3.24Å; A65-K68 WeakPolarHBondContact O-CD 3.34Å; A65-K68 WeakPolarHBondContact O-CE 2.89Å; A65-K68 PolarHBondContact O-NZ 3.27Å; K68-L70 HydrophobicContact CB-CD2 3.82Å; K68-L70 HydrophobicContact CB-CG 3.91Å; K68-L70 PolarHBondContact O-N 3.44Å; K68-T267 PolarHBondContact N-O 2.97Å
69	M	97.8	Very high	91.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.268	C	S	.	.			trans	53.5	52.8	176.7	-53.8	-61.6	-68.7	0	0	112.7	M53 L57 V67 P71 Y246 V265 N266 T267	M53-M69 HydrophobicContact CB-CE 4Å; M53-M69 HydrophobicContact CB-SD 3.9Å; M53-M69 HydrophobicContact CE-CE 3.77Å; M53-M69 HydrophobicContact CE-SD 4.34Å; M53-M69 HydrophobicContact CG-CE 4.18Å; M53-M69 HydrophobicContact CG-SD 3.74Å; M53-M69 WeakPolarHBondContact O-CG 3.49Å; L57-M69 HydrophobicContact CD1-CE 3.98Å; L57-M69 HydrophobicContact CD2-CB 3.85Å; L57-M69 HydrophobicContact CD2-CE 4.04Å; L57-M69 HydrophobicContact CD2-CG 4.49Å; L57-M69 HydrophobicContact CG-CB 3.96Å; L57-M69 HydrophobicContact CG-CE 3.89Å; L57-M69 HydrophobicContact CG-CG 4.12Å; V67-M69 HydrophobicContact CG1-CG 4.05Å; V67-M69 HydrophobicContact CG1-SD 3.59Å; V67-M69 VanDerWaalsContact CG1-SD 3.59Å; M69-P71 WeakPolarHBondContact O-CD 3.49Å; M69-Y246 HydrophobicContact CE-CE1 3.5Å; M69-Y246 WeakPolarHBondContact CE-OH 3.44Å; M69-V265 HydrophobicContact CB-CG1 3.82Å; M69-V265 HydrophobicContact CE-CG1 3.82Å; M69-V265 WeakPolarHBondContact O-CG1 3.48Å; M69-V265 HydrophobicContact SD-CG1 4.43Å; M69-N266 CarbonylContact C-O 3.1Å; M69-N266 WeakPolarHBondContact CA-O 3.33Å; M69-T267 HydrophobicContact CE-CG2 4.38Å; M69-T267 PolarHBondContact N-O 2.91Å; M69-T267 VanDerWaalsContact N-O 3.14Å; M69-T267 HydrophobicContact SD-CG2 3.91Å
70	L	96.7	Very high	89.9	Confident	7 Å²	7	48.3 Å²	48.3	4%	0.037	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	122.3	-173.6	-60.3	176.4	0	0	0	111.5	K68 L177 N266 E268	K68-L70 HydrophobicContact CB-CD2 3.82Å; K68-L70 HydrophobicContact CB-CG 3.91Å; K68-L70 PolarHBondContact O-N 3.44Å; L70-L177 HydrophobicContact CD1-CD1 4.26Å; L70-L177 HydrophobicContact CD2-CD1 4.33Å; L70-N266 HydrophobicContact CB-CB 4.42Å; L70-N266 PolarHBondContact N-O 3.22Å; L70-N266 PolarHBondContact O-N 3.43Å; L70-E268 HydrophobicContact CD1-CG 3.65Å; L70-E268 HydrophobicContact CG-CG 4.37Å
71	P	95.6	Very high	88.6	Confident	16 Å²	16	43 Å²	43	10%	0.104	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	136.9	172.6	-20.1	32.3	0	0	0	111.2	M69 V253 L255 V256 M263	M69-P71 WeakPolarHBondContact O-CD 3.49Å; P71-V253 HydrophobicContact CB-CG1 4.48Å; P71-V253 HydrophobicContact CG-CG1 4Å; P71-L255 HydrophobicContact CG-CB 3.8Å; P71-L255 HydrophobicContact CG-CD1 3.92Å; P71-V256 HydrophobicContact CB-CG2 3.56Å; P71-V256 HydrophobicContact CG-CG2 3.67Å; P71-M263 HydrophobicContact CB-SD 3.6Å
72	T	93.8	Very high	87.6	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.018	22%	0.218	C	C	.	.			trans	-107.9	-7.7	-175.7	70	0	0	0	0	113.8	V74 V219 C264 N266	T72-V74 PolarHBondContact O-N 3.25Å; T72-V74 VanDerWaalsContact O-N 3.12Å; T72-V74 PolarHBondContact OG1-N 2.9Å; T72-V219 HydrophobicContact CG2-CG2 3.75Å; T72-C264 WeakPolarHBondContact CB-O 3.44Å; T72-C264 VanDerWaalsContact CG2-O 3.29Å; T72-C264 WeakPolarHBondContact CG2-O 3.49Å; T72-C264 PolarHBondContact N-O 3.18Å; T72-C264 WeakPolarHBondContact OG1-CB 3.5Å; T72-C264 PolarHBondContact OG1-O 3.2Å; T72-N266 HydrophobicContact CG2-CB 3.81Å
73	Y	89.8	Confident	86.8	Confident	76 Å²	76	43.5 Å²	43.5	30%	0.298	23%	0.232	S	C	.	.			trans	60.3	11.6	-172.9	-62.6	-98.8	0	0	0	114.6	C75 H168 V256	Y73-C75 PolarHBondContact O-N 3.44Å; Y73-H168 HydrophobicContact CD2-CB 3.63Å; Y73-H168 HydrophobicContact CE2-CB 3.73Å; Y73-H168 WeakPolarHBondContact CE2-O 3.19Å; Y73-V256 HydrophobicContact CE1-CG1 4.32Å
74	V	90.1	Very high	86.5	Confident	9 Å²	9	36.3 Å²	36.3	6%	0.055	21%	0.205	C	C	.	.			trans	-85.3	95.2	168.5	-178.5	0	0	0	0	108.4	T72 L171 V215 V219 I223 C264 I464	T72-V74 PolarHBondContact O-N 3.25Å; T72-V74 VanDerWaalsContact O-N 3.12Å; T72-V74 PolarHBondContact OG1-N 2.9Å; V74-L171 HydrophobicContact CG2-CD1 3.94Å; V74-V215 HydrophobicContact CG2-CG1 4.43Å; V74-V219 HydrophobicContact CB-CG1 4.43Å; V74-V219 HydrophobicContact CG2-CG1 4Å; V74-I223 HydrophobicContact CG1-CD1 4.44Å; V74-C264 HydrophobicContact CB-CB 4.08Å; V74-C264 HydrophobicContact CG1-CB 4.48Å; V74-C264 PolarHBondContact O-N 2.94Å; V74-I464 HydrophobicContact CG2-CG2 4.29Å
75	C	86.8	Confident	86.3	Confident	66 Å²	66	31.9 Å²	31.9	45%	0.446	19%	0.186	S	C	.	.			trans	-94.4	-10.7	-174.7	-57.8	0	0	0	0	114.3	Y73 R262	Y73-C75 PolarHBondContact O-N 3.44Å; C75-R262 CarbonylContact C-O 3.56Å; C75-R262 VanDerWaalsContact CA-O 3.25Å; C75-R262 WeakPolarHBondContact CA-O 3.4Å
76	S	75.4	Confident	86.1	Confident	44 Å²	44	32.3 Å²	32.3	31%	0.308	19%	0.187	S	C	.	.			trans	-143.1	154.7	-179.4	61	0	0	0	0	111.6
77	T	77.3	Confident	86.1	Confident	18 Å²	18	32 Å²	32	11%	0.11	19%	0.185	C	C	.	.			trans	-96.9	152.9	174.1	51.6	0	0	0	0	109.9	E79 I223 Y226	T77-E79 PolarHBondContact O-N 3.12Å; T77-I223 HydrophobicContact CG2-CD1 4.04Å; T77-Y226 HydrophobicContact CG2-CD1 4.29Å; T77-Y226 HydrophobicContact CG2-CD2 3.72Å; T77-Y226 HydrophobicContact CG2-CE1 4.26Å; T77-Y226 HydrophobicContact CG2-CE2 3.67Å; T77-Y226 HydrophobicContact CG2-CG 4.04Å; T77-Y226 WeakPolarHBondContact OG1-CE1 3.22Å; T77-Y226 WeakPolarHBondContact OG1-CE2 3.4Å; T77-Y226 PolarHBondContact OG1-OH 3.41Å
78	P	75.7	Confident	86	Confident	2 Å²	2	32 Å²	32	1%	0.013	19%	0.185	C	C	.	.			trans	-52.8	136	-177.7	-26	32.2	0	0	0	112.8	E82 F111 I223 Y226 R230 L463 V467	P78-E82 WeakPolarHBondContact CA-OE1 3.38Å; P78-F111 HydrophobicContact CB-CZ 4.49Å; P78-I223 HydrophobicContact CG-CG2 3.59Å; P78-Y226 WeakPolarHBondContact O-CE1 3.48Å; P78-R230 PolarHBondContact O-NH1 3.35Å; P78-L463 HydrophobicContact CG-CB 4.16Å; P78-V467 HydrophobicContact CB-CG2 4.18Å; P78-V467 HydrophobicContact CG-CG2 4.11Å
79	E	74.3	Confident	86	Confident	126 Å²	126	29.2 Å²	29.2	59%	0.589	17%	0.173	S	C	*	.			trans	-91.7	-20.1	-178	-68.6	177.9	164.7	0	0	112.3	T77 E82 R230 K470	T77-E79 PolarHBondContact O-N 3.12Å; E79-E82 PolarHBondContact N-OE1 2.79Å; E79-E82 PolarHBondContact N-OE2 3.38Å; E79-R230 PolarHBondContact O-NH2 3.3Å; E79-K470 IonicContact OE2-NZ 3.5Å; E79-K470 PolarHBondContact OE2-NZ 2.89Å
80	G	69.3	Low	85.7	Confident	13 Å²	13	29.9 Å²	29.9	13%	0.134	18%	0.177	C	C	.	.	S	Bend	trans	93.6	19.2	-178.4	0	0	0	0	0	115.4	E82	G80-E82 WeakPolarHBondContact CA-OE2 3.4Å; G80-E82 PolarHBondContact N-OE2 3.45Å
81	S	69.5	Low	85.4	Confident	67 Å²	67	29.6 Å²	29.6	47%	0.469	18%	0.175	S	C	.	.			trans	-107.1	2.6	170.3	45.7	0	0	0	0	111.9	V83 K470	S81-V83 PolarHBondContact O-N 3.29Å; S81-K470 PolarHBondContact OG-NZ 2.59Å
82	E	75.5	Confident	84.5	Confident	8 Å²	8	29.5 Å²	29.5	4%	0.037	18%	0.177	C	C	.	.			trans	-74.9	116.3	177.5	-59.7	81.8	-173.9	0	0	109.5	P78 E79 G80 V103 A466 V467	P78-E82 WeakPolarHBondContact CA-OE1 3.38Å; E79-E82 PolarHBondContact N-OE1 2.79Å; E79-E82 PolarHBondContact N-OE2 3.38Å; G80-E82 WeakPolarHBondContact CA-OE2 3.4Å; G80-E82 PolarHBondContact N-OE2 3.45Å; E82-V103 WeakPolarHBondContact O-CG1 3.43Å; E82-A466 HydrophobicContact CB-CB 3.65Å; E82-A466 HydrophobicContact CG-CB 3.99Å; E82-V467 HydrophobicContact CG-CG2 4.07Å
83	V	80.8	Confident	83.6	Confident	77 Å²	77	30.1 Å²	30.1	47%	0.467	18%	0.184	S	C	.	.			trans	-132.2	132.8	-180	177.7	0	0	0	0	108.9	S81 V103 E105	S81-V83 PolarHBondContact O-N 3.29Å; V83-V103 CarbonylContact C-O 3.32Å; V83-V103 WeakPolarHBondContact CA-O 3.33Å; V83-V103 WeakPolarHBondContact CG1-O 3.46Å; V83-E105 HydrophobicContact CG2-CG 3.81Å
84	G	87.8	Confident	82.6	Confident	24 Å²	24	30.5 Å²	30.5	25%	0.247	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.3	174	179.1	0	0	0	0	0	114.9	F86 V103	G84-F86 VanDerWaalsContact C-CE2 3.46Å; G84-F86 WeakPolarHBondContact O-CD2 3.27Å; G84-F86 WeakPolarHBondContact O-CE2 3.48Å; G84-V103 PolarHBondContact N-O 3.03Å; G84-V103 PolarHBondContact O-N 3.36Å
85	D	91.4	Very high	82.3	Confident	46 Å²	46	34.3 Å²	34.3	25%	0.246	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.8	170.6	-73.8	-6.8	0	0	0	108.6	L100 K102 K154 L156	D85-L100 HydrophobicContact CB-CD1 4.39Å; D85-K102 WeakPolarHBondContact OD1-CG 3.49Å; D85-K154 IonicContact OD2-NZ 2.65Å; D85-L156 HydrophobicContact CB-CD2 4Å
86	F	92.9	Very high	82.5	Confident	10 Å²	10	31.1 Å²	31.1	4%	0.044	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144.8	-178	-59.4	-88.8	0	0	0	110.3	G84 L100 V101 V103 P157 A462 A466	G84-F86 VanDerWaalsContact C-CE2 3.46Å; G84-F86 WeakPolarHBondContact O-CD2 3.27Å; G84-F86 WeakPolarHBondContact O-CE2 3.48Å; F86-L100 WeakPolarHBondContact O-CA 3.19Å; F86-V101 PolarHBondContact N-O 3.49Å; F86-V101 PolarHBondContact O-N 2.7Å; F86-V103 HydrophobicContact CD2-CG2 3.82Å; F86-V103 HydrophobicContact CE2-CB 4.31Å; F86-V103 HydrophobicContact CE2-CG2 3.98Å; F86-P157 HydrophobicContact CD1-CB 3.94Å; F86-P157 HydrophobicContact CD1-CG 4.18Å; F86-P157 HydrophobicContact CE1-CB 4.24Å; F86-P157 HydrophobicContact CE1-CG 4.17Å; F86-A462 HydrophobicContact CB-CB 3.88Å; F86-A466 HydrophobicContact CD1-CB 4.3Å; F86-A466 HydrophobicContact CD2-CB 4.25Å; F86-A466 VanDerWaalsContact CE1-CA 3.42Å; F86-A466 HydrophobicContact CE1-CB 3.66Å; F86-A466 HydrophobicContact CE2-CB 3.57Å; F86-A466 VanDerWaalsContact CZ-CA 3.49Å; F86-A466 HydrophobicContact CZ-CB 3.25Å
87	L	94.9	Very high	83.3	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	147.6	165.8	-69.4	169.6	0	0	0	109.7	M99 L100 F145 L146 I151 L156 P157 L158 G159 M209	L87-M99 CarbonylContact C-O 3.55Å; L87-M99 VanDerWaalsContact CA-O 3.25Å; L87-M99 WeakPolarHBondContact CA-O 3.37Å; L87-M99 WeakPolarHBondContact CD2-O 3.29Å; L87-L100 HydrophobicContact CD2-CB 4.25Å; L87-L100 HydrophobicContact CD2-CD1 4.1Å; L87-F145 HydrophobicContact CD2-CD1 4.45Å; L87-F145 HydrophobicContact CD2-CE1 4.04Å; L87-L146 HydrophobicContact CD1-CD2 3.85Å; L87-L146 HydrophobicContact CD2-CD2 4.29Å; L87-I151 HydrophobicContact CD2-CD1 4.29Å; L87-L156 HydrophobicContact CD1-CB 3.96Å; L87-L156 HydrophobicContact CD1-CD1 4.11Å; L87-L156 HydrophobicContact CD2-CD1 4.28Å; L87-L156 HydrophobicContact CG-CB 4.04Å; L87-L156 HydrophobicContact CG-CD1 3.86Å; L87-P157 PolarHBondContact N-O 3.43Å; L87-L158 HydrophobicContact CB-CD1 3.29Å; L87-L158 HydrophobicContact CB-CG 4.5Å; L87-L158 HydrophobicContact CD1-CD1 4.3Å; L87-L158 HydrophobicContact CG-CD1 4.45Å; L87-L158 WeakPolarHBondContact O-CA 3.45Å; L87-G159 PolarHBondContact O-N 2.91Å; L87-M209 HydrophobicContact CD1-CE 3.64Å; L87-M209 HydrophobicContact CD1-SD 3.35Å; L87-M209 WeakPolarHBondContact CD1-SD 3.32Å
88	A	94.9	Very high	84.1	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	138.6	169.1	0	0	0	0	0	110.7	M99 G159 G458 A461 A462	A88-M99 HydrophobicContact CB-CB 4.29Å; A88-M99 PolarHBondContact N-O 3.04Å; A88-M99 PolarHBondContact O-N 3.05Å; A88-G159 CarbonylContact C-O 3.55Å; A88-G159 VanDerWaalsContact CA-O 3.24Å; A88-G159 WeakPolarHBondContact CA-O 3.34Å; A88-G458 WeakPolarHBondContact CB-O 3.48Å; A88-A461 HydrophobicContact CB-CB 4.27Å; A88-A462 HydrophobicContact CB-CB 4.29Å
89	L	95.1	Very high	85	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	140.4	169.2	-55	-169.7	0	0	0	108.8	F96 R97 V98 I138 M142 L158 G159 F160 T161 L197	L89-F96 HydrophobicContact CB-CE2 3.96Å; L89-F96 HydrophobicContact CB-CZ 4.2Å; L89-F96 HydrophobicContact CD1-CZ 4.2Å; L89-F96 HydrophobicContact CD2-CZ 3.9Å; L89-F96 HydrophobicContact CG-CZ 4.31Å; L89-R97 WeakPolarHBondContact CA-O 3.49Å; L89-V98 HydrophobicContact CD2-CB 4.44Å; L89-V98 HydrophobicContact CD2-CG1 4.01Å; L89-V98 HydrophobicContact CD2-CG2 4.14Å; L89-I138 HydrophobicContact CD1-CG2 4.17Å; L89-M142 HydrophobicContact CD1-CE 4.3Å; L89-M142 HydrophobicContact CD1-CG 4.44Å; L89-M142 HydrophobicContact CD1-SD 3.71Å; L89-M142 HydrophobicContact CD2-CE 4.25Å; L89-M142 HydrophobicContact CD2-CG 3.86Å; L89-M142 HydrophobicContact CD2-SD 4.08Å; L89-M142 HydrophobicContact CG-SD 4.5Å; L89-L158 HydrophobicContact CD1-CD1 4.46Å; L89-L158 HydrophobicContact CD1-CD2 3.9Å; L89-L158 HydrophobicContact CD2-CD1 3.9Å; L89-L158 HydrophobicContact CG-CD1 3.78Å; L89-L158 HydrophobicContact CG-CD2 4.06Å; L89-L158 HydrophobicContact CG-CG 4.2Å; L89-G159 PolarHBondContact N-O 2.84Å; L89-F160 HydrophobicContact CB-CD2 3.67Å; L89-F160 HydrophobicContact CB-CE2 4.13Å; L89-F160 HydrophobicContact CB-CG 4.43Å; L89-F160 HydrophobicContact CD1-CD2 4.21Å; L89-F160 HydrophobicContact CD1-CE2 4.4Å; L89-F160 HydrophobicContact CD1-CG 4.47Å; L89-F160 HydrophobicContact CG-CD2 4.48Å; L89-T161 WeakPolarHBondContact O-CA 3.43Å; L89-T161 VanDerWaalsContact O-CB 3.28Å; L89-T161 WeakPolarHBondContact O-CB 3Å; L89-T161 PolarHBondContact O-N 3.4Å; L89-L197 HydrophobicContact CD1-CD1 4.36Å; L89-L197 HydrophobicContact CD1-CD2 3.79Å
90	D	93.3	Very high	85.9	Confident	15 Å²	15	24.9 Å²	24.9	8%	0.08	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	108.3	175.2	177.8	25.1	0	0	0	109.9	F96 R97 S457	D90-F96 WeakPolarHBondContact O-CA 3.39Å; D90-F96 VanDerWaalsContact O-CD2 3.28Å; D90-F96 WeakPolarHBondContact O-CD2 3.5Å; D90-R97 HydrophobicContact CB-CB 3.91Å; D90-R97 PolarHBondContact N-O 3.41Å; D90-R97 PolarHBondContact O-N 3.24Å; D90-R97 IonicContact OD2-CZ 2.76Å; D90-R97 IonicContact OD2-NE 3.17Å; D90-R97 PolarHBondContact OD2-NE 3.5Å; D90-R97 IonicContact OD2-NH2 3.38Å; D90-R97 PolarHBondContact OD2-NH2 2.86Å; D90-S457 WeakPolarHBondContact OD1-CB 3.47Å; D90-S457 PolarHBondContact OD1-OG 3.01Å; D90-S457 PolarHBondContact OD2-OG 3.41Å
91	L	90.6	Very high	86.9	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	104	-179.3	-179	62	0	0	0	110.1	F96 I122 I138 F160 T161 F162 S163 F164 F183	L91-F96 HydrophobicContact CB-CD2 4.05Å; L91-F96 HydrophobicContact CB-CE2 4.36Å; L91-F96 HydrophobicContact CD1-CD2 4.17Å; L91-I122 HydrophobicContact CD1-CD1 3.23Å; L91-I138 HydrophobicContact CD2-CD1 3.61Å; L91-F160 HydrophobicContact CB-CE2 3.94Å; L91-F160 HydrophobicContact CD2-CE2 4.37Å; L91-F160 HydrophobicContact CD2-CZ 4.21Å; L91-T161 PolarHBondContact N-O 3.37Å; L91-F162 HydrophobicContact CB-CD2 4.48Å; L91-F162 HydrophobicContact CD2-CD2 3.87Å; L91-F162 HydrophobicContact CD2-CE2 3.82Å; L91-F162 HydrophobicContact CG-CD2 4.38Å; L91-S163 PolarHBondContact O-N 3.44Å; L91-F164 HydrophobicContact CG-CE2 4.32Å; L91-F183 HydrophobicContact CD1-CE1 4.38Å; L91-F183 HydrophobicContact CD1-CZ 4.16Å
92	G	75.4	Confident	87.9	Confident	14 Å²	14	24.5 Å²	24.5	14%	0.144	14%	0.142	C	C	.	.	S	Bend	trans	-149.8	1.1	178.6	0	0	0	0	0	116.2	S163 K181	G92-S163 VanDerWaalsContact CA-CB 3.48Å; G92-S163 WeakPolarHBondContact CA-OG 3.32Å; G92-K181 VanDerWaalsContact O-CD 3.22Å; G92-K181 WeakPolarHBondContact O-CD 3.1Å
93	G	74.8	Confident	88.3	Confident	16 Å²	16	24.3 Å²	24.3	17%	0.165	14%	0.141	C	C	.	.	S	Bend	trans	-163.2	-157.5	-179.5	0	0	0	0	0	111	N95 F183	G93-N95 PolarHBondContact O-N 3.47Å; G93-F183 WeakPolarHBondContact O-CZ 3.49Å
94	T	70.1	Confident	88.2	Confident	85 Å²	85	21.9 Å²	21.9	52%	0.521	13%	0.132	S	C	.	.	S	Bend	trans	-70.9	-13.9	179.3	53.2	0	0	0	0	113.7	I122 M127	T94-I122 PolarHBondContact O-N 3.31Å; T94-M127 HydrophobicContact CG2-CE 4.24Å; T94-M127 HydrophobicContact CG2-SD 4.08Å
95	N	82.5	Confident	87.3	Confident	88 Å²	88	28.8 Å²	28.8	47%	0.471	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.2	176.2	-61.8	-47.1	0	0	0	109.4	G93	G93-N95 PolarHBondContact O-N 3.47Å
96	F	90.4	Very high	86.1	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	140.1	171	174.4	-121.1	0	0	0	109.7	L89 D90 L91 V98 M119 Y120 I122 I138 C141	L89-F96 HydrophobicContact CB-CE2 3.96Å; L89-F96 HydrophobicContact CB-CZ 4.2Å; L89-F96 HydrophobicContact CD1-CZ 4.2Å; L89-F96 HydrophobicContact CD2-CZ 3.9Å; L89-F96 HydrophobicContact CG-CZ 4.31Å; D90-F96 WeakPolarHBondContact O-CA 3.39Å; D90-F96 VanDerWaalsContact O-CD2 3.28Å; D90-F96 WeakPolarHBondContact O-CD2 3.5Å; L91-F96 HydrophobicContact CB-CD2 4.05Å; L91-F96 HydrophobicContact CB-CE2 4.36Å; L91-F96 HydrophobicContact CD1-CD2 4.17Å; F96-V98 HydrophobicContact CD1-CG2 4.22Å; F96-V98 HydrophobicContact CE1-CG2 3.4Å; F96-V98 HydrophobicContact CZ-CG2 3.78Å; F96-M119 CarbonylContact O-C 3.14Å; F96-M119 WeakPolarHBondContact O-CA 3.32Å; F96-Y120 HydrophobicContact CD1-CD2 4.1Å; F96-Y120 HydrophobicContact CD1-CG 4.48Å; F96-Y120 PolarHBondContact N-O 2.92Å; F96-Y120 PolarHBondContact O-N 3.46Å; F96-I122 HydrophobicContact CB-CD1 3.9Å; F96-I122 HydrophobicContact CB-CG1 3.78Å; F96-I138 HydrophobicContact CE1-CG2 4.15Å; F96-I138 HydrophobicContact CE2-CG2 4.23Å; F96-I138 HydrophobicContact CZ-CB 4.46Å; F96-I138 HydrophobicContact CZ-CG1 4.44Å; F96-I138 HydrophobicContact CZ-CG2 3.66Å; F96-C141 HydrophobicContact CD1-CB 3.78Å; F96-C141 HydrophobicContact CE1-CB 3.61Å
97	R	92.5	Very high	84.3	Confident	49 Å²	49	38.2 Å²	38.2	19%	0.185	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.9	178.2	-147.9	-174.3	-35.9	-164.9	6.9	110.9	L89 D90 M99 N117 Q118 M119	L89-R97 WeakPolarHBondContact CA-O 3.49Å; D90-R97 HydrophobicContact CB-CB 3.91Å; D90-R97 PolarHBondContact N-O 3.41Å; D90-R97 PolarHBondContact O-N 3.24Å; D90-R97 IonicContact OD2-CZ 2.76Å; D90-R97 IonicContact OD2-NE 3.17Å; D90-R97 PolarHBondContact OD2-NE 3.5Å; D90-R97 IonicContact OD2-NH2 3.38Å; D90-R97 PolarHBondContact OD2-NH2 2.86Å; R97-M99 HydrophobicContact CG-CG 4.11Å; R97-N117 HydrophobicContact CG-CB 4.27Å; R97-Q118 WeakPolarHBondContact CA-O 3.36Å; R97-M119 HydrophobicContact CG-CG 4.19Å
98	V	94.7	Very high	82.6	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.7	165.8	-171.5	0	0	0	0	107.6	L89 F96 N117 Q118 Y120 M142 F145	L89-V98 HydrophobicContact CD2-CB 4.44Å; L89-V98 HydrophobicContact CD2-CG1 4.01Å; L89-V98 HydrophobicContact CD2-CG2 4.14Å; F96-V98 HydrophobicContact CD1-CG2 4.22Å; F96-V98 HydrophobicContact CE1-CG2 3.4Å; F96-V98 HydrophobicContact CZ-CG2 3.78Å; V98-N117 CarbonylContact O-C 3.58Å; V98-N117 VanDerWaalsContact O-CA 3.31Å; V98-N117 WeakPolarHBondContact O-CA 3.42Å; V98-Q118 PolarHBondContact N-O 2.77Å; V98-Q118 PolarHBondContact O-N 3.16Å; V98-Y120 HydrophobicContact CB-CE2 4.23Å; V98-Y120 HydrophobicContact CG2-CD2 4.17Å; V98-Y120 HydrophobicContact CG2-CE2 3.74Å; V98-M142 HydrophobicContact CG2-CG 4.35Å; V98-F145 HydrophobicContact CB-CB 4.11Å; V98-F145 HydrophobicContact CB-CD1 4.24Å; V98-F145 HydrophobicContact CB-CD2 4.2Å; V98-F145 HydrophobicContact CB-CG 3.93Å; V98-F145 HydrophobicContact CG1-CB 3.9Å; V98-F145 HydrophobicContact CG1-CD1 3.45Å; V98-F145 VanDerWaalsContact CG1-CD1 3.45Å; V98-F145 HydrophobicContact CG1-CD2 4.29Å; V98-F145 HydrophobicContact CG1-CE1 3.98Å; V98-F145 HydrophobicContact CG1-CG 3.62Å
99	M	94.1	Very high	80.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.8	-178.9	-55.4	-169.4	53.3	0	0	111.4	L87 A88 R97 V101 T115 K116 N117 E455 G458	L87-M99 CarbonylContact C-O 3.55Å; L87-M99 VanDerWaalsContact CA-O 3.25Å; L87-M99 WeakPolarHBondContact CA-O 3.37Å; L87-M99 WeakPolarHBondContact CD2-O 3.29Å; A88-M99 HydrophobicContact CB-CB 4.29Å; A88-M99 PolarHBondContact N-O 3.04Å; A88-M99 PolarHBondContact O-N 3.05Å; R97-M99 HydrophobicContact CG-CG 4.11Å; M99-V101 HydrophobicContact CB-CG2 4.27Å; M99-T115 HydrophobicContact CE-CG2 3.89Å; M99-K116 CarbonylContact C-O 3.56Å; M99-K116 VanDerWaalsContact CA-O 3.25Å; M99-K116 WeakPolarHBondContact CA-O 3.44Å; M99-N117 HydrophobicContact CB-CB 4.36Å; M99-N117 HydrophobicContact CE-CB 4.15Å; M99-N117 HydrophobicContact CG-CB 3.61Å; M99-N117 HydrophobicContact SD-CB 4.22Å; M99-E455 HydrophobicContact CE-CB 4.33Å; M99-E455 WeakPolarHBondContact CE-OE2 3.43Å; M99-G458 VanDerWaalsContact SD-CA 3.56Å
100	L	93.3	Very high	79	Confident	7 Å²	7	58 Å²	58	4%	0.037	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.2	160.1	176	70.7	0	0	0	107.4	D85 F86 L87 K102 T115 K116 F145 I151 L156	D85-L100 HydrophobicContact CB-CD1 4.39Å; F86-L100 WeakPolarHBondContact O-CA 3.19Å; L87-L100 HydrophobicContact CD2-CB 4.25Å; L87-L100 HydrophobicContact CD2-CD1 4.1Å; L100-K102 HydrophobicContact CG-CG 4.44Å; L100-T115 CarbonylContact O-C 3.54Å; L100-T115 WeakPolarHBondContact O-CA 3.45Å; L100-K116 HydrophobicContact CB-CB 4.44Å; L100-K116 PolarHBondContact N-O 2.73Å; L100-K116 PolarHBondContact O-N 2.72Å; L100-F145 HydrophobicContact CB-CE1 3.98Å; L100-F145 HydrophobicContact CB-CZ 4.02Å; L100-I151 HydrophobicContact CD1-CD1 4.22Å; L100-I151 HydrophobicContact CD2-CD1 4.21Å; L100-L156 HydrophobicContact CD1-CD1 3.87Å
101	V	91.1	Very high	77.6	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	117.9	179.6	-173.8	0	0	0	0	107.9	F86 M99 V103 V113 T115 A462	F86-V101 PolarHBondContact N-O 3.49Å; F86-V101 PolarHBondContact O-N 2.7Å; M99-V101 HydrophobicContact CB-CG2 4.27Å; V101-V103 HydrophobicContact CG1-CG2 4.21Å; V101-V113 HydrophobicContact CG1-CG1 3.51Å; V101-T115 HydrophobicContact CG1-CG2 4.23Å; V101-T115 HydrophobicContact CG2-CG2 4.18Å; V101-A462 HydrophobicContact CB-CB 3.42Å; V101-A462 VanDerWaalsContact CB-CB 3.42Å; V101-A462 HydrophobicContact CG1-CB 3.74Å; V101-A462 HydrophobicContact CG2-CB 3.44Å; V101-A462 VanDerWaalsContact CG2-CB 3.44Å
102	K	89.4	Confident	76.9	Confident	72 Å²	72	62.4 Å²	62.4	31%	0.313	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.6	175.7	-55.5	-167.7	168.3	-166.1	0	108.9	D85 L100 V113 E114	D85-K102 WeakPolarHBondContact OD1-CG 3.49Å; L100-K102 HydrophobicContact CG-CG 4.44Å; K102-V113 CarbonylContact O-C 3.52Å; K102-V113 VanDerWaalsContact O-CA 3.32Å; K102-V113 WeakPolarHBondContact O-CA 3.47Å; K102-E114 HydrophobicContact CB-CB 4.3Å; K102-E114 PolarHBondContact N-O 3.17Å; K102-E114 PolarHBondContact O-N 3.03Å
103	V	85.1	Confident	77.1	Confident	5 Å²	5	63 Å²	63	3%	0.03	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	113	179.1	-163.9	0	0	0	0	106.7	E82 V83 G84 F86 V101 F111 K112 V113 L463	E82-V103 WeakPolarHBondContact O-CG1 3.43Å; V83-V103 CarbonylContact C-O 3.32Å; V83-V103 WeakPolarHBondContact CA-O 3.33Å; V83-V103 WeakPolarHBondContact CG1-O 3.46Å; G84-V103 PolarHBondContact N-O 3.03Å; G84-V103 PolarHBondContact O-N 3.36Å; F86-V103 HydrophobicContact CD2-CG2 3.82Å; F86-V103 HydrophobicContact CE2-CB 4.31Å; F86-V103 HydrophobicContact CE2-CG2 3.98Å; V101-V103 HydrophobicContact CG1-CG2 4.21Å; V103-F111 HydrophobicContact CG1-CB 4.33Å; V103-F111 HydrophobicContact CG1-CD2 3.35Å; V103-F111 HydrophobicContact CG1-CE2 3.9Å; V103-F111 HydrophobicContact CG1-CG 4.19Å; V103-K112 WeakPolarHBondContact CA-O 3.44Å; V103-V113 HydrophobicContact CG1-CG2 4.46Å; V103-L463 HydrophobicContact CG1-CD2 4.38Å; V103-L463 HydrophobicContact CG2-CD2 4.16Å
104	G	78.6	Confident	77.6	Confident	26 Å²	26	66.8 Å²	66.8	27%	0.268	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	168.5	-178.7	0	0	0	0	0	111.9	F111 K112	G104-F111 CarbonylContact O-C 3.56Å; G104-F111 VanDerWaalsContact O-C 3.32Å; G104-F111 WeakPolarHBondContact O-CA 3.31Å; G104-F111 WeakPolarHBondContact O-CB 3.49Å; G104-K112 PolarHBondContact N-O 3.18Å; G104-K112 PolarHBondContact O-N 2.73Å
105	E	69.2	Low	78.5	Confident	169 Å²	169	65.1 Å²	65.1	79%	0.79	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	144	176.1	-63.3	178.1	176.8	0	0	111.7	V83	V83-E105 HydrophobicContact CG2-CG 3.81Å
106	D	65.4	Low	78.9	Confident	49 Å²	49	66.1 Å²	66.1	26%	0.262	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	121.9	175.6	-170.6	-39.2	0	0	0	109.7	E108 R109 S110 K112	D106-E108 VanDerWaalsContact C-N 3.27Å; D106-E108 PolarHBondContact O-N 3.21Å; D106-E108 PolarHBondContact OD1-N 3.02Å; D106-R109 HydrophobicContact CB-CB 4.46Å; D106-R109 PolarHBondContact OD1-N 2.85Å; D106-S110 PolarHBondContact N-O 3.25Å; D106-S110 CarbonylContact O-C 3.27Å; D106-S110 VanDerWaalsContact O-C 3.27Å; D106-S110 VanDerWaalsContact O-CA 3.24Å; D106-S110 WeakPolarHBondContact O-CA 3.39Å; D106-S110 PolarHBondContact O-N 3.27Å; D106-K112 HydrophobicContact CB-CB 4.11Å
107	E	56	Low	78.9	Confident	205 Å²	205	69.3 Å²	69.3	96%	0.958	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-23.3	-177.3	-65.4	-176	175.4	0	0	113.3
108	E	58.8	Low	79	Confident	179 Å²	179	69 Å²	69	84%	0.836	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-30.5	179.4	-70.7	-171.9	170.8	0	0	113.4	D106	D106-E108 VanDerWaalsContact C-N 3.27Å; D106-E108 PolarHBondContact O-N 3.21Å; D106-E108 PolarHBondContact OD1-N 3.02Å
109	R	57.8	Low	78.8	Confident	168 Å²	168	74.9 Å²	74.9	63%	0.634	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.3	14.8	-172.3	-64.1	-173.7	-179.5	-167.7	-0.8	114.9	D106 F111	D106-R109 HydrophobicContact CB-CB 4.46Å; D106-R109 PolarHBondContact OD1-N 2.85Å; R109-F111 PolarHBondContact O-N 2.93Å
110	S	56	Low	78.8	Confident	69 Å²	69	76 Å²	76	48%	0.483	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	69.9	-42.5	-171.6	-40.1	0	0	0	0	113.6	D106	D106-S110 PolarHBondContact N-O 3.25Å; D106-S110 CarbonylContact O-C 3.27Å; D106-S110 VanDerWaalsContact O-C 3.27Å; D106-S110 VanDerWaalsContact O-CA 3.24Å; D106-S110 WeakPolarHBondContact O-CA 3.39Å; D106-S110 PolarHBondContact O-N 3.27Å
111	F	64.6	Low	78.7	Confident	3 Å²	3	79.7 Å²	79.7	1%	0.013	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	154	175.6	60	-76	0	0	0	112.9	P78 V103 G104 R109 V113 Y227 L463	P78-F111 HydrophobicContact CB-CZ 4.49Å; V103-F111 HydrophobicContact CG1-CB 4.33Å; V103-F111 HydrophobicContact CG1-CD2 3.35Å; V103-F111 HydrophobicContact CG1-CE2 3.9Å; V103-F111 HydrophobicContact CG1-CG 4.19Å; G104-F111 CarbonylContact O-C 3.56Å; G104-F111 VanDerWaalsContact O-C 3.32Å; G104-F111 WeakPolarHBondContact O-CA 3.31Å; G104-F111 WeakPolarHBondContact O-CB 3.49Å; R109-F111 PolarHBondContact O-N 2.93Å; F111-V113 HydrophobicContact CD2-CG2 3.94Å; F111-V113 HydrophobicContact CE2-CG2 3.99Å; F111-Y227 HydrophobicContact CD1-CE2 4.38Å; F111-Y227 AromaticContact CD2-CD2 3.98Å; F111-Y227 HydrophobicContact CD2-CD2 3.98Å; F111-Y227 AromaticContact CD2-CE2 3.47Å; F111-Y227 HydrophobicContact CD2-CE2 3.47Å; F111-Y227 VanDerWaalsContact CD2-CE2 3.47Å; F111-Y227 HydrophobicContact CE1-CD2 4.03Å; F111-Y227 HydrophobicContact CE1-CE2 4.09Å; F111-Y227 AromaticContact CE2-CD2 3.18Å; F111-Y227 HydrophobicContact CE2-CD2 3.18Å; F111-Y227 AromaticContact CE2-CE2 3.19Å; F111-Y227 HydrophobicContact CE2-CE2 3.19Å; F111-Y227 HydrophobicContact CG-CE2 4.12Å; F111-Y227 AromaticContact CZ-CD2 3.23Å; F111-Y227 HydrophobicContact CZ-CD2 3.23Å; F111-Y227 AromaticContact CZ-CE2 3.56Å; F111-Y227 HydrophobicContact CZ-CE2 3.56Å; F111-Y227 HydrophobicContact CZ-CG 4.4Å; F111-Y227 PolarHBondContact O-OH 3.2Å; F111-L463 HydrophobicContact CE2-CD2 3.65Å; F111-L463 HydrophobicContact CZ-CD2 4.32Å
112	K	74.6	Confident	78.7	Confident	105 Å²	105	80.2 Å²	80.2	46%	0.457	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	133.4	178.1	-175.2	-172.7	-175.7	-162.8	0	110.1	V103 G104 D106 E114	V103-K112 WeakPolarHBondContact CA-O 3.44Å; G104-K112 PolarHBondContact N-O 3.18Å; G104-K112 PolarHBondContact O-N 2.73Å; D106-K112 HydrophobicContact CB-CB 4.11Å; K112-E114 WeakPolarHBondContact CE-OE1 3.38Å; K112-E114 IonicContact NZ-OE1 2.69Å; K112-E114 PolarHBondContact NZ-OE1 2.84Å
113	V	79.6	Confident	78.8	Confident	27 Å²	27	79.5 Å²	79.5	16%	0.164	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.9	176.7	-176	0	0	0	0	110.9	V101 K102 V103 F111 T115 Y227 R459 L463	V101-V113 HydrophobicContact CG1-CG1 3.51Å; K102-V113 CarbonylContact O-C 3.52Å; K102-V113 VanDerWaalsContact O-CA 3.32Å; K102-V113 WeakPolarHBondContact O-CA 3.47Å; V103-V113 HydrophobicContact CG1-CG2 4.46Å; F111-V113 HydrophobicContact CD2-CG2 3.94Å; F111-V113 HydrophobicContact CE2-CG2 3.99Å; V113-T115 HydrophobicContact CG1-CG2 4.13Å; V113-Y227 HydrophobicContact CG2-CD2 4.06Å; V113-Y227 HydrophobicContact CG2-CE2 3.52Å; V113-R459 HydrophobicContact CG1-CG 4.24Å; V113-L463 HydrophobicContact CG2-CD2 4.44Å
114	E	85.4	Confident	78.9	Confident	95 Å²	95	86.4 Å²	86.4	44%	0.444	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.1	170.9	-62.9	-178.2	176.4	0	0	110.1	K102 K112	K102-E114 HydrophobicContact CB-CB 4.3Å; K102-E114 PolarHBondContact N-O 3.17Å; K102-E114 PolarHBondContact O-N 3.03Å; K112-E114 WeakPolarHBondContact CE-OE1 3.38Å; K112-E114 IonicContact NZ-OE1 2.69Å; K112-E114 PolarHBondContact NZ-OE1 2.84Å
115	T	88.4	Confident	79.4	Confident	49 Å²	49	91 Å²	91	30%	0.301	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.3	-179	57.6	0	0	0	0	111.6	M99 L100 V101 V113 E455	M99-T115 HydrophobicContact CE-CG2 3.89Å; L100-T115 CarbonylContact O-C 3.54Å; L100-T115 WeakPolarHBondContact O-CA 3.45Å; V101-T115 HydrophobicContact CG1-CG2 4.23Å; V101-T115 HydrophobicContact CG2-CG2 4.18Å; V113-T115 HydrophobicContact CG1-CG2 4.13Å; T115-E455 VanDerWaalsContact CB-OE2 3.32Å; T115-E455 WeakPolarHBondContact CB-OE2 3.28Å; T115-E455 PolarHBondContact OG1-OE2 3.14Å
116	K	90.9	Very high	80.5	Confident	110 Å²	110	83.3 Å²	83.3	48%	0.478	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.7	161.6	-64	-175.5	-178.9	-176.4	0	107.2	M99 L100	M99-K116 CarbonylContact C-O 3.56Å; M99-K116 VanDerWaalsContact CA-O 3.25Å; M99-K116 WeakPolarHBondContact CA-O 3.44Å; L100-K116 HydrophobicContact CB-CB 4.44Å; L100-K116 PolarHBondContact N-O 2.73Å; L100-K116 PolarHBondContact O-N 2.72Å
117	N	91.9	Very high	81.6	Confident	66 Å²	66	81.8 Å²	81.8	35%	0.353	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	157.3	-178.2	69.5	70.6	0	0	0	112	R97 V98 M99 E455	R97-N117 HydrophobicContact CG-CB 4.27Å; V98-N117 CarbonylContact O-C 3.58Å; V98-N117 VanDerWaalsContact O-CA 3.31Å; V98-N117 WeakPolarHBondContact O-CA 3.42Å; M99-N117 HydrophobicContact CB-CB 4.36Å; M99-N117 HydrophobicContact CE-CB 4.15Å; M99-N117 HydrophobicContact CG-CB 3.61Å; M99-N117 HydrophobicContact SD-CB 4.22Å; N117-E455 PolarHBondContact ND2-OE1 3.2Å
118	Q	93.1	Very high	83.3	Confident	42 Å²	42	75.2 Å²	75.2	20%	0.196	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	135	168.7	-170.5	173.7	-40.2	0	0	109.3	R97 V98 Y120 D144 F145 K148	R97-Q118 WeakPolarHBondContact CA-O 3.36Å; V98-Q118 PolarHBondContact N-O 2.77Å; V98-Q118 PolarHBondContact O-N 3.16Å; Q118-Y120 HydrophobicContact CB-CE2 3.97Å; Q118-Y120 HydrophobicContact CG-CE1 4.46Å; Q118-Y120 HydrophobicContact CG-CE2 3.9Å; Q118-Y120 PolarHBondContact NE2-OH 3.02Å; Q118-D144 PolarHBondContact NE2-OD2 3.04Å; Q118-F145 HydrophobicContact CB-CD2 3.61Å; Q118-F145 HydrophobicContact CB-CE2 3.97Å; Q118-K148 VanDerWaalsContact OE1-CD 3.24Å
119	M	92	Very high	84.9	Confident	127 Å²	127	67.6 Å²	67.6	63%	0.626	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	144.4	174.4	-64.2	-171.1	-58.9	0	0	110.8	F96 R97	F96-M119 CarbonylContact O-C 3.14Å; F96-M119 WeakPolarHBondContact O-CA 3.32Å; R97-M119 HydrophobicContact CG-CG 4.19Å
120	Y	93.6	Very high	86.7	Confident	23 Å²	23	62.1 Å²	62.1	9%	0.09	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.4	176.4	-60.3	-91.3	0	0	0	108.8	F96 V98 Q118 C141 D144 F145	F96-Y120 HydrophobicContact CD1-CD2 4.1Å; F96-Y120 HydrophobicContact CD1-CG 4.48Å; F96-Y120 PolarHBondContact N-O 2.92Å; F96-Y120 PolarHBondContact O-N 3.46Å; V98-Y120 HydrophobicContact CB-CE2 4.23Å; V98-Y120 HydrophobicContact CG2-CD2 4.17Å; V98-Y120 HydrophobicContact CG2-CE2 3.74Å; Q118-Y120 HydrophobicContact CB-CE2 3.97Å; Q118-Y120 HydrophobicContact CG-CE1 4.46Å; Q118-Y120 HydrophobicContact CG-CE2 3.9Å; Q118-Y120 PolarHBondContact NE2-OH 3.02Å; Y120-C141 HydrophobicContact CD1-CB 3.86Å; Y120-C141 VanDerWaalsContact CD1-SG 3.55Å; Y120-C141 HydrophobicContact CD2-CB 3.79Å; Y120-C141 HydrophobicContact CE1-CB 4.01Å; Y120-C141 HydrophobicContact CE2-CB 3.92Å; Y120-C141 HydrophobicContact CG-CB 3.74Å; Y120-C141 VanDerWaalsContact CG-SG 3.56Å; Y120-C141 VanDerWaalsContact CZ-O 3.28Å; Y120-C141 PolarHBondContact OH-O 3.17Å; Y120-D144 HydrophobicContact CE1-CB 4.37Å; Y120-D144 WeakPolarHBondContact CE1-OD2 3.49Å; Y120-D144 PolarHBondContact OH-OD2 2.9Å; Y120-F145 WeakPolarHBondContact OH-CB 3.37Å; Y120-F145 PolarHBondContact OH-N 3.11Å
121	S	92.2	Very high	88.6	Confident	85 Å²	85	59.1 Å²	59.1	59%	0.594	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.6	174.9	-61.1	0	0	0	0	109.6	P123 Y137	S121-P123 WeakPolarHBondContact O-CD 3.38Å; S121-Y137 PolarHBondContact O-OH 3.48Å
122	I	90.1	Very high	90.2	Very high	11 Å²	11	64.3 Å²	64.3	6%	0.056	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-78.1	124.8	-179.6	-51	176.5	0	0	0	109	L91 T94 F96 A126 M127 L134 Y137 F183	L91-I122 HydrophobicContact CD1-CD1 3.23Å; T94-I122 PolarHBondContact O-N 3.31Å; F96-I122 HydrophobicContact CB-CD1 3.9Å; F96-I122 HydrophobicContact CB-CG1 3.78Å; I122-A126 HydrophobicContact CG2-CB 4.07Å; I122-M127 HydrophobicContact CB-CG 4.18Å; I122-M127 HydrophobicContact CB-SD 4.46Å; I122-M127 HydrophobicContact CG2-CG 3.63Å; I122-L134 HydrophobicContact CG2-CD1 4.02Å; I122-Y137 HydrophobicContact CB-CE1 4.45Å; I122-Y137 HydrophobicContact CG1-CE1 4.34Å; I122-Y137 HydrophobicContact CG2-CD1 4.34Å; I122-Y137 HydrophobicContact CG2-CE1 4.44Å; I122-F183 HydrophobicContact CD1-CE1 4.28Å; I122-F183 HydrophobicContact CD1-CZ 3.97Å
123	P	90.6	Very high	91.2	Very high	56 Å²	56	63.8 Å²	63.8	36%	0.364	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-61.1	143.3	174.9	-22.4	33.3	0	0	0	111.9	S121 D125 A126 M127 Y137	S121-P123 WeakPolarHBondContact O-CD 3.38Å; P123-D125 PolarHBondContact O-N 3.44Å; P123-A126 HydrophobicContact CB-CB 4.38Å; P123-A126 WeakPolarHBondContact O-CA 3.5Å; P123-A126 WeakPolarHBondContact O-CB 3.23Å; P123-A126 PolarHBondContact O-N 3.24Å; P123-M127 PolarHBondContact O-N 3.44Å; P123-M127 VanDerWaalsContact O-N 3.08Å; P123-Y137 HydrophobicContact CG-CD2 4.48Å; P123-Y137 HydrophobicContact CG-CE2 4.11Å
124	E	87.5	Confident	92	Very high	150 Å²	150	62.5 Å²	62.5	70%	0.701	33%	0.332	S	S	*	.	H	α-helix	trans	-58.3	-37.7	178.6	-173	173.7	-173.4	0	0	112.2	A126 M127 T128	E124-A126 VanDerWaalsContact C-N 3.25Å; E124-A126 PolarHBondContact O-N 3.31Å; E124-M127 PolarHBondContact O-N 3.09Å; E124-M127 VanDerWaalsContact O-N 3.12Å; E124-T128 PolarHBondContact O-N 3.26Å; E124-T128 PolarHBondContact O-OG1 2.85Å
125	D	90.5	Very high	92.5	Very high	122 Å²	122	58 Å²	58	65%	0.652	31%	0.311	S	S	*	.	H	α-helix	trans	-61.7	-32.8	175.3	-64	-22.1	0	0	0	112.2	P123 G129	P123-D125 PolarHBondContact O-N 3.44Å; D125-G129 VanDerWaalsContact O-CA 3.24Å; D125-G129 WeakPolarHBondContact O-CA 3.37Å; D125-G129 PolarHBondContact O-N 3.39Å
126	A	91.1	Very high	92.9	Very high	8 Å²	8	58.2 Å²	58.2	7%	0.066	31%	0.31	C	S	.	.	H	α-helix	trans	-76.4	-35.9	175	0	0	0	0	0	111.4	I122 P123 E124 T128	I122-A126 HydrophobicContact CG2-CB 4.07Å; P123-A126 HydrophobicContact CB-CB 4.38Å; P123-A126 WeakPolarHBondContact O-CA 3.5Å; P123-A126 WeakPolarHBondContact O-CB 3.23Å; P123-A126 PolarHBondContact O-N 3.24Å; E124-A126 VanDerWaalsContact C-N 3.25Å; E124-A126 PolarHBondContact O-N 3.31Å; A126-T128 VanDerWaalsContact C-N 3.3Å; A126-T128 PolarHBondContact O-N 2.88Å
127	M	89	Confident	93.2	Very high	17 Å²	17	55.4 Å²	55.4	8%	0.084	30%	0.297	C	S	.	.	H	α-helix	trans	-67.2	-30.4	177.3	-65.6	-178.9	56	0	0	113.1	T94 I122 P123 E124 F183 K184 A185	T94-M127 HydrophobicContact CG2-CE 4.24Å; T94-M127 HydrophobicContact CG2-SD 4.08Å; I122-M127 HydrophobicContact CB-CG 4.18Å; I122-M127 HydrophobicContact CB-SD 4.46Å; I122-M127 HydrophobicContact CG2-CG 3.63Å; P123-M127 PolarHBondContact O-N 3.44Å; P123-M127 VanDerWaalsContact O-N 3.08Å; E124-M127 PolarHBondContact O-N 3.09Å; E124-M127 VanDerWaalsContact O-N 3.12Å; M127-F183 HydrophobicContact CB-CD1 4.22Å; M127-F183 HydrophobicContact CB-CE1 4.32Å; M127-F183 HydrophobicContact CE-CD1 4.45Å; M127-F183 HydrophobicContact CE-CD2 3.71Å; M127-F183 HydrophobicContact CE-CE1 4.28Å; M127-F183 HydrophobicContact CE-CE2 3.5Å; M127-F183 HydrophobicContact CE-CG 4.19Å; M127-F183 HydrophobicContact CE-CZ 3.82Å; M127-F183 HydrophobicContact CG-CD1 4.25Å; M127-F183 HydrophobicContact CG-CE1 3.85Å; M127-F183 HydrophobicContact CG-CZ 4.09Å; M127-F183 HydrophobicContact SD-CZ 4.34Å; M127-K184 PolarHBondContact O-N 3.14Å; M127-A185 PolarHBondContact O-N 3.36Å; M127-A185 VanDerWaalsContact O-N 3.15Å
128	T	90.8	Very high	93.4	Very high	68 Å²	68	52.2 Å²	52.2	42%	0.417	28%	0.28	S	S	.	.	H	α-helix	trans	-113.6	-6	-173.6	60.3	0	0	0	0	114.3	E124 A126	E124-T128 PolarHBondContact O-N 3.26Å; E124-T128 PolarHBondContact O-OG1 2.85Å; A126-T128 VanDerWaalsContact C-N 3.3Å; A126-T128 PolarHBondContact O-N 2.88Å
129	G	93.2	Very high	93.6	Very high	18 Å²	18	50.3 Å²	50.3	19%	0.186	27%	0.271	C	S	.	.	S	Bend	trans	-80.2	-126.8	-179.5	0	0	0	0	0	114	D125 A185 S186	D125-G129 VanDerWaalsContact O-CA 3.24Å; D125-G129 WeakPolarHBondContact O-CA 3.37Å; D125-G129 PolarHBondContact O-N 3.39Å; G129-A185 CarbonylContact O-C 3.53Å; G129-A185 WeakPolarHBondContact O-CA 3.39Å; G129-S186 PolarHBondContact O-N 3.19Å; G129-S186 PolarHBondContact O-OG 3Å
130	T	96.6	Very high	93.8	Very high	54 Å²	54	49.2 Å²	49.2	33%	0.331	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-104.6	157.7	177.2	69.3	0	0	0	0	111.4	E132 M133 L134 S186	T130-E132 PolarHBondContact O-N 3.23Å; T130-M133 HydrophobicContact CG2-SD 4.42Å; T130-M133 PolarHBondContact O-N 2.66Å; T130-M133 WeakPolarHBondContact OG1-CG 3.48Å; T130-M133 PolarHBondContact OG1-N 2.86Å; T130-M133 VanDerWaalsContact OG1-N 3.15Å; T130-L134 PolarHBondContact O-N 3.37Å; T130-L134 VanDerWaalsContact O-N 3.1Å; T130-S186 CarbonylContact C-O 3.57Å
131	A	95.5	Very high	94	Very high	5 Å²	5	48.3 Å²	48.3	4%	0.041	26%	0.261	C	S	.	.	H	α-helix	trans	-55	-43.3	171.7	0	0	0	0	0	111.1	M133 L134 F135 S186 A188 L196	A131-M133 PolarHBondContact O-N 3.08Å; A131-L134 PolarHBondContact O-N 3.43Å; A131-F135 HydrophobicContact CB-CD2 4.36Å; A131-F135 WeakPolarHBondContact O-CD2 3.49Å; A131-F135 PolarHBondContact O-N 2.91Å; A131-S186 WeakPolarHBondContact CB-O 3.3Å; A131-S186 PolarHBondContact N-O 3.44Å; A131-A188 HydrophobicContact CB-CB 3.9Å; A131-L196 HydrophobicContact CB-CD1 4.27Å; A131-L196 HydrophobicContact CB-CD2 4.45Å
132	E	96.9	Very high	94.1	Very high	113 Å²	113	44.3 Å²	44.3	53%	0.528	23%	0.233	S	C	.	.	H	α-helix	trans	-55.5	-48.8	176.4	-174.7	171.7	113.1	0	0	111.8	T130 L134 F135 D136	T130-E132 PolarHBondContact O-N 3.23Å; E132-L134 VanDerWaalsContact C-N 3.35Å; E132-L134 PolarHBondContact O-N 3.34Å; E132-F135 PolarHBondContact O-N 3.33Å; E132-D136 VanDerWaalsContact O-CB 3.23Å; E132-D136 WeakPolarHBondContact O-CB 3.35Å; E132-D136 PolarHBondContact O-N 3.12Å
133	M	96.1	Very high	94.4	Very high	93 Å²	93	43.9 Å²	43.9	46%	0.458	23%	0.231	S	C	.	.	H	α-helix	trans	-59.1	-44	177.3	-71.8	170.5	63.4	0	0	112.4	T130 A131 Y137	T130-M133 HydrophobicContact CG2-SD 4.42Å; T130-M133 PolarHBondContact O-N 2.66Å; T130-M133 WeakPolarHBondContact OG1-CG 3.48Å; T130-M133 PolarHBondContact OG1-N 2.86Å; T130-M133 VanDerWaalsContact OG1-N 3.15Å; A131-M133 PolarHBondContact O-N 3.08Å; M133-Y137 WeakPolarHBondContact O-CB 3.4Å; M133-Y137 PolarHBondContact O-N 2.93Å; M133-Y137 VanDerWaalsContact O-N 3.15Å
134	L	96.6	Very high	94.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-49.9	179.6	178	60.1	0	0	0	111.8	I122 T130 A131 E132 Y137 I138 W179 F183 A185	I122-L134 HydrophobicContact CG2-CD1 4.02Å; T130-L134 PolarHBondContact O-N 3.37Å; T130-L134 VanDerWaalsContact O-N 3.1Å; A131-L134 PolarHBondContact O-N 3.43Å; E132-L134 VanDerWaalsContact C-N 3.35Å; E132-L134 PolarHBondContact O-N 3.34Å; L134-Y137 PolarHBondContact O-N 3.08Å; L134-I138 HydrophobicContact CD1-CD1 4.33Å; L134-I138 HydrophobicContact CG-CD1 4.15Å; L134-I138 WeakPolarHBondContact O-CG1 3.24Å; L134-I138 PolarHBondContact O-N 3.16Å; L134-W179 HydrophobicContact CD2-CH2 3.9Å; L134-W179 HydrophobicContact CD2-CZ2 4.18Å; L134-F183 HydrophobicContact CD1-CE1 4.29Å; L134-F183 HydrophobicContact CD2-CD1 4.24Å; L134-F183 HydrophobicContact CD2-CE1 4.31Å; L134-A185 HydrophobicContact CB-CB 4.41Å; L134-A185 HydrophobicContact CD2-CB 4.08Å
135	F	96.8	Very high	95.2	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-74	-29.2	-176.4	-73.3	-78.7	0	0	0	112.7	A131 E132 I138 A139 F160 V193 L196 L197 A200	A131-F135 HydrophobicContact CB-CD2 4.36Å; A131-F135 WeakPolarHBondContact O-CD2 3.49Å; A131-F135 PolarHBondContact O-N 2.91Å; E132-F135 PolarHBondContact O-N 3.33Å; F135-I138 HydrophobicContact CD1-CD1 3.91Å; F135-I138 HydrophobicContact CE1-CD1 4.19Å; F135-I138 PolarHBondContact O-N 2.96Å; F135-A139 PolarHBondContact O-N 3.27Å; F135-F160 HydrophobicContact CE1-CE1 4.1Å; F135-F160 HydrophobicContact CE1-CZ 4.2Å; F135-V193 HydrophobicContact CE1-CG1 4.14Å; F135-V193 HydrophobicContact CZ-CG1 3.95Å; F135-L196 HydrophobicContact CD1-CB 4.32Å; F135-L196 HydrophobicContact CD2-CB 3.61Å; F135-L196 HydrophobicContact CD2-CD1 4.14Å; F135-L196 HydrophobicContact CD2-CG 4.42Å; F135-L196 HydrophobicContact CE1-CB 4.34Å; F135-L196 HydrophobicContact CE2-CB 3.68Å; F135-L196 HydrophobicContact CE2-CD1 3.59Å; F135-L196 HydrophobicContact CE2-CG 4.26Å; F135-L196 HydrophobicContact CG-CB 3.98Å; F135-L196 HydrophobicContact CZ-CB 4.06Å; F135-L196 HydrophobicContact CZ-CD1 4.22Å; F135-L197 HydrophobicContact CD1-CB 4.02Å; F135-L197 HydrophobicContact CD1-CD1 4.34Å; F135-L197 HydrophobicContact CE1-CB 4.29Å; F135-A200 VanDerWaalsContact C-CB 3.49Å; F135-A200 HydrophobicContact CB-CB 3.77Å; F135-A200 VanDerWaalsContact O-CB 3.29Å; F135-A200 WeakPolarHBondContact O-CB 3.22Å
136	D	97.1	Very high	95.4	Very high	53 Å²	53	31 Å²	31	28%	0.283	17%	0.165	S	C	.	.	H	α-helix	trans	-66.5	-40.2	171.4	-75.6	-0.8	0	0	0	111.3	E132 A139 E140 A200 R203	E132-D136 VanDerWaalsContact O-CB 3.23Å; E132-D136 WeakPolarHBondContact O-CB 3.35Å; E132-D136 PolarHBondContact O-N 3.12Å; D136-A139 PolarHBondContact O-N 3.39Å; D136-E140 PolarHBondContact O-N 3.07Å; D136-A200 WeakPolarHBondContact OD1-CB 3.47Å; D136-R203 IonicContact OD1-CZ 3.4Å; D136-R203 VanDerWaalsContact OD1-CZ 3.25Å; D136-R203 IonicContact OD1-NE 3.54Å; D136-R203 PolarHBondContact OD1-NE 2.62Å; D136-R203 IonicContact OD1-NH2 2.7Å; D136-R203 PolarHBondContact OD1-NH2 2.95Å; D136-R203 IonicContact OD2-NE 3.41Å
137	Y	96.5	Very high	95.6	Very high	51 Å²	51	34.2 Å²	34.2	20%	0.2	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-41.1	172.5	-178.8	-100.4	0	0	0	112.1	S121 I122 P123 M133 L134 E140 C141	S121-Y137 PolarHBondContact O-OH 3.48Å; I122-Y137 HydrophobicContact CB-CE1 4.45Å; I122-Y137 HydrophobicContact CG1-CE1 4.34Å; I122-Y137 HydrophobicContact CG2-CD1 4.34Å; I122-Y137 HydrophobicContact CG2-CE1 4.44Å; P123-Y137 HydrophobicContact CG-CD2 4.48Å; P123-Y137 HydrophobicContact CG-CE2 4.11Å; M133-Y137 WeakPolarHBondContact O-CB 3.4Å; M133-Y137 PolarHBondContact O-N 2.93Å; M133-Y137 VanDerWaalsContact O-N 3.15Å; L134-Y137 PolarHBondContact O-N 3.08Å; Y137-E140 WeakPolarHBondContact O-CB 3.42Å; Y137-E140 PolarHBondContact O-N 2.71Å; Y137-C141 WeakPolarHBondContact CE1-SG 3.35Å; Y137-C141 VanDerWaalsContact CZ-SG 3.57Å; Y137-C141 PolarHBondContact O-N 3.41Å; Y137-C141 PolarHBondContact O-SG 2.92Å
138	I	96.1	Very high	95.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60	-46.9	174.2	-71	165	0	0	0	110.7	L89 L91 F96 L134 F135 E140 C141 M142 L197	L89-I138 HydrophobicContact CD1-CG2 4.17Å; L91-I138 HydrophobicContact CD2-CD1 3.61Å; F96-I138 HydrophobicContact CE1-CG2 4.15Å; F96-I138 HydrophobicContact CE2-CG2 4.23Å; F96-I138 HydrophobicContact CZ-CB 4.46Å; F96-I138 HydrophobicContact CZ-CG1 4.44Å; F96-I138 HydrophobicContact CZ-CG2 3.66Å; L134-I138 HydrophobicContact CD1-CD1 4.33Å; L134-I138 HydrophobicContact CG-CD1 4.15Å; L134-I138 WeakPolarHBondContact O-CG1 3.24Å; L134-I138 PolarHBondContact O-N 3.16Å; F135-I138 HydrophobicContact CD1-CD1 3.91Å; F135-I138 HydrophobicContact CE1-CD1 4.19Å; F135-I138 PolarHBondContact O-N 2.96Å; I138-E140 VanDerWaalsContact C-N 3.25Å; I138-E140 PolarHBondContact O-N 3.38Å; I138-C141 PolarHBondContact O-N 2.99Å; I138-M142 HydrophobicContact CG2-SD 4.23Å; I138-M142 WeakPolarHBondContact O-CG 3.31Å; I138-M142 PolarHBondContact O-N 3.27Å; I138-L197 HydrophobicContact CG2-CD1 3.76Å
139	A	96.6	Very high	96	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-33.1	177.3	0	0	0	0	0	112.2	F135 D136 M142 S143 A200 I201	F135-A139 PolarHBondContact O-N 3.27Å; D136-A139 PolarHBondContact O-N 3.39Å; A139-M142 PolarHBondContact O-N 3.16Å; A139-S143 PolarHBondContact O-N 2.73Å; A139-A200 HydrophobicContact CB-CB 4.13Å; A139-I201 HydrophobicContact CB-CG1 4.44Å
140	E	96.8	Very high	96	Very high	104 Å²	104	44.2 Å²	44.2	49%	0.486	22%	0.215	S	C	.	.	H	α-helix	trans	-64	-48.3	172	-172.4	-179.4	-179.8	0	0	113.2	D136 Y137 I138 M142 S143 D144	D136-E140 PolarHBondContact O-N 3.07Å; Y137-E140 WeakPolarHBondContact O-CB 3.42Å; Y137-E140 PolarHBondContact O-N 2.71Å; I138-E140 VanDerWaalsContact C-N 3.25Å; I138-E140 PolarHBondContact O-N 3.38Å; E140-M142 VanDerWaalsContact C-N 3.27Å; E140-M142 PolarHBondContact O-N 3.37Å; E140-S143 PolarHBondContact O-N 3.34Å; E140-D144 PolarHBondContact O-N 3.15Å
141	C	96.7	Very high	95.8	Very high	4 Å²	4	42.3 Å²	42.3	3%	0.027	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-39.2	176.1	-65	0	0	0	0	111.7	F96 Y120 Y137 I138 F145	F96-C141 HydrophobicContact CD1-CB 3.78Å; F96-C141 HydrophobicContact CE1-CB 3.61Å; Y120-C141 HydrophobicContact CD1-CB 3.86Å; Y120-C141 VanDerWaalsContact CD1-SG 3.55Å; Y120-C141 HydrophobicContact CD2-CB 3.79Å; Y120-C141 HydrophobicContact CE1-CB 4.01Å; Y120-C141 HydrophobicContact CE2-CB 3.92Å; Y120-C141 HydrophobicContact CG-CB 3.74Å; Y120-C141 VanDerWaalsContact CG-SG 3.56Å; Y120-C141 VanDerWaalsContact CZ-O 3.28Å; Y120-C141 PolarHBondContact OH-O 3.17Å; Y137-C141 WeakPolarHBondContact CE1-SG 3.35Å; Y137-C141 VanDerWaalsContact CZ-SG 3.57Å; Y137-C141 PolarHBondContact O-N 3.41Å; Y137-C141 PolarHBondContact O-SG 2.92Å; I138-C141 PolarHBondContact O-N 2.99Å; C141-F145 PolarHBondContact O-N 3.12Å; C141-F145 VanDerWaalsContact O-N 3.12Å
142	M	96.1	Very high	95.6	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-50	174.3	-70.4	175.8	72	0	0	111.4	L89 V98 I138 A139 E140 D144 F145 L146 L158 L197 I201 F207 M209	L89-M142 HydrophobicContact CD1-CE 4.3Å; L89-M142 HydrophobicContact CD1-CG 4.44Å; L89-M142 HydrophobicContact CD1-SD 3.71Å; L89-M142 HydrophobicContact CD2-CE 4.25Å; L89-M142 HydrophobicContact CD2-CG 3.86Å; L89-M142 HydrophobicContact CD2-SD 4.08Å; L89-M142 HydrophobicContact CG-SD 4.5Å; V98-M142 HydrophobicContact CG2-CG 4.35Å; I138-M142 HydrophobicContact CG2-SD 4.23Å; I138-M142 WeakPolarHBondContact O-CG 3.31Å; I138-M142 PolarHBondContact O-N 3.27Å; A139-M142 PolarHBondContact O-N 3.16Å; E140-M142 VanDerWaalsContact C-N 3.27Å; E140-M142 PolarHBondContact O-N 3.37Å; M142-D144 PolarHBondContact O-N 2.86Å; M142-F145 WeakPolarHBondContact O-CB 3.18Å; M142-F145 PolarHBondContact O-N 3.26Å; M142-L146 WeakPolarHBondContact O-CG 3.38Å; M142-L146 PolarHBondContact O-N 3.18Å; M142-L158 HydrophobicContact CE-CD1 4.16Å; M142-L158 HydrophobicContact CE-CD2 3.99Å; M142-L197 HydrophobicContact SD-CD1 4.14Å; M142-I201 HydrophobicContact CE-CD1 4.05Å; M142-I201 HydrophobicContact SD-CD1 4.3Å; M142-F207 HydrophobicContact CB-CE1 4.33Å; M142-F207 HydrophobicContact CB-CE2 4.4Å; M142-F207 HydrophobicContact CB-CZ 3.74Å; M142-F207 HydrophobicContact CE-CE2 3.88Å; M142-F207 HydrophobicContact CE-CZ 4.19Å; M142-F207 HydrophobicContact SD-CZ 4.34Å; M142-M209 HydrophobicContact CE-CG 3.94Å
143	S	96.1	Very high	95.2	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.014	22%	0.219	C	C	.	.	H	α-helix	trans	-57.7	-46.7	178.3	173.1	0	0	0	0	112.4	A139 E140 F145 L146 D147 K152 R204 D206	A139-S143 PolarHBondContact O-N 2.73Å; E140-S143 PolarHBondContact O-N 3.34Å; S143-F145 VanDerWaalsContact C-N 3.3Å; S143-F145 PolarHBondContact O-N 3.03Å; S143-L146 PolarHBondContact O-N 3.26Å; S143-D147 WeakPolarHBondContact O-CB 3.36Å; S143-D147 PolarHBondContact O-N 3.34Å; S143-D147 PolarHBondContact OG-OD2 3.48Å; S143-K152 PolarHBondContact OG-NZ 3.34Å; S143-R204 VanDerWaalsContact CB-CZ 3.4Å; S143-R204 PolarHBondContact OG-NE 3.34Å; S143-R204 PolarHBondContact OG-NH2 3.24Å; S143-R204 VanDerWaalsContact OG-NH2 3.09Å; S143-D206 PolarHBondContact OG-OD2 3.03Å; S143-D206 VanDerWaalsContact OG-OD2 3.07Å
144	D	96.8	Very high	94.9	Very high	57 Å²	57	45.6 Å²	45.6	31%	0.305	21%	0.214	S	C	.	.	H	α-helix	trans	-57.2	-45.2	178	174.5	64.6	0	0	0	111.3	Q118 Y120 E140 M142 D147 K148	Q118-D144 PolarHBondContact NE2-OD2 3.04Å; Y120-D144 HydrophobicContact CE1-CB 4.37Å; Y120-D144 WeakPolarHBondContact CE1-OD2 3.49Å; Y120-D144 PolarHBondContact OH-OD2 2.9Å; E140-D144 PolarHBondContact O-N 3.15Å; M142-D144 PolarHBondContact O-N 2.86Å; D144-D147 PolarHBondContact O-N 2.84Å; D144-K148 VanDerWaalsContact CG-NZ 3.34Å; D144-K148 WeakPolarHBondContact O-CB 3.48Å; D144-K148 WeakPolarHBondContact O-CG 3.36Å; D144-K148 PolarHBondContact O-N 3.41Å; D144-K148 VanDerWaalsContact OD1-CE 3.22Å; D144-K148 WeakPolarHBondContact OD1-CE 3.46Å; D144-K148 IonicContact OD1-NZ 2.87Å; D144-K148 PolarHBondContact OD1-NZ 2.93Å; D144-K148 WeakPolarHBondContact OD2-CE 3.24Å; D144-K148 IonicContact OD2-NZ 2.85Å; D144-K148 PolarHBondContact OD2-NZ 2.72Å
145	F	96.4	Very high	94.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-46.9	176.9	-176.4	-99.7	0	0	0	112.3	L87 V98 L100 Q118 Y120 C141 M142 S143 D147 K148 H149	L87-F145 HydrophobicContact CD2-CD1 4.45Å; L87-F145 HydrophobicContact CD2-CE1 4.04Å; V98-F145 HydrophobicContact CB-CB 4.11Å; V98-F145 HydrophobicContact CB-CD1 4.24Å; V98-F145 HydrophobicContact CB-CD2 4.2Å; V98-F145 HydrophobicContact CB-CG 3.93Å; V98-F145 HydrophobicContact CG1-CB 3.9Å; V98-F145 HydrophobicContact CG1-CD1 3.45Å; V98-F145 VanDerWaalsContact CG1-CD1 3.45Å; V98-F145 HydrophobicContact CG1-CD2 4.29Å; V98-F145 HydrophobicContact CG1-CE1 3.98Å; V98-F145 HydrophobicContact CG1-CG 3.62Å; L100-F145 HydrophobicContact CB-CE1 3.98Å; L100-F145 HydrophobicContact CB-CZ 4.02Å; Q118-F145 HydrophobicContact CB-CD2 3.61Å; Q118-F145 HydrophobicContact CB-CE2 3.97Å; Y120-F145 WeakPolarHBondContact OH-CB 3.37Å; Y120-F145 PolarHBondContact OH-N 3.11Å; C141-F145 PolarHBondContact O-N 3.12Å; C141-F145 VanDerWaalsContact O-N 3.12Å; M142-F145 WeakPolarHBondContact O-CB 3.18Å; M142-F145 PolarHBondContact O-N 3.26Å; S143-F145 VanDerWaalsContact C-N 3.3Å; S143-F145 PolarHBondContact O-N 3.03Å; F145-D147 VanDerWaalsContact C-N 3.34Å; F145-D147 PolarHBondContact O-N 3.21Å; F145-K148 PolarHBondContact O-N 3.27Å; F145-H149 AromaticContact CD1-CD2 3.96Å; F145-H149 AromaticContact CD2-CD2 3.55Å; F145-H149 AromaticContact CD2-NE2 3.71Å; F145-H149 AromaticContact CE1-CD2 3.71Å; F145-H149 AromaticContact CE2-CD2 3.28Å; F145-H149 WeakPolarHBondContact CE2-CD2 3.17Å; F145-H149 AromaticContact CE2-NE2 3.19Å; F145-H149 WeakPolarHBondContact CE2-NE2 3.31Å; F145-H149 AromaticContact CG-CD2 3.9Å; F145-H149 AromaticContact CZ-CD2 3.36Å; F145-H149 WeakPolarHBondContact CZ-CD2 3.42Å; F145-H149 AromaticContact CZ-NE2 3.59Å; F145-H149 PolarHBondContact O-CD2 3.26Å; F145-H149 VanDerWaalsContact O-CD2 3.23Å; F145-H149 PolarHBondContact O-N 2.83Å; F145-H149 VanDerWaalsContact O-N 3.08Å
146	L	95.3	Very high	94.4	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-64.6	-37.8	-178.9	-65.3	168.8	0	0	0	112.3	L87 M142 S143 H150 I151 K152 F207 M209	L87-L146 HydrophobicContact CD1-CD2 3.85Å; L87-L146 HydrophobicContact CD2-CD2 4.29Å; M142-L146 WeakPolarHBondContact O-CG 3.38Å; M142-L146 PolarHBondContact O-N 3.18Å; S143-L146 PolarHBondContact O-N 3.26Å; L146-H150 PolarHBondContact O-N 2.98Å; L146-I151 HydrophobicContact CB-CG1 4.42Å; L146-I151 HydrophobicContact CD2-CD1 3.72Å; L146-I151 HydrophobicContact CD2-CG1 3.73Å; L146-I151 PolarHBondContact O-N 3.14Å; L146-K152 HydrophobicContact CB-CB 4.04Å; L146-K152 HydrophobicContact CB-CG 4.24Å; L146-F207 HydrophobicContact CD1-CB 4.09Å; L146-F207 HydrophobicContact CD1-CD1 4.04Å; L146-F207 HydrophobicContact CD1-CD2 3.69Å; L146-F207 HydrophobicContact CD1-CE1 4.4Å; L146-F207 HydrophobicContact CD1-CE2 4.08Å; L146-F207 HydrophobicContact CD1-CG 3.68Å; L146-F207 HydrophobicContact CD1-CZ 4.43Å; L146-M209 HydrophobicContact CD1-CE 3.51Å; L146-M209 HydrophobicContact CD2-CE 3.76Å; L146-M209 HydrophobicContact CG-CE 4.29Å
147	D	94.8	Very high	94.2	Very high	74 Å²	74	51.1 Å²	51.1	40%	0.396	24%	0.239	S	C	.	.	H	α-helix	trans	-66.1	-48.5	176.3	-81.1	-42.9	0	0	0	111.2	S143 D144 F145 H149 H150 K152	S143-D147 WeakPolarHBondContact O-CB 3.36Å; S143-D147 PolarHBondContact O-N 3.34Å; S143-D147 PolarHBondContact OG-OD2 3.48Å; D144-D147 PolarHBondContact O-N 2.84Å; F145-D147 VanDerWaalsContact C-N 3.34Å; F145-D147 PolarHBondContact O-N 3.21Å; D147-H149 PolarHBondContact O-N 3.13Å; D147-H150 PolarHBondContact O-N 3.09Å; D147-H150 VanDerWaalsContact O-N 3.08Å; D147-H150 PolarHBondContact O-ND1 3.4Å; D147-H150 VanDerWaalsContact O-ND1 3.16Å; D147-K152 WeakPolarHBondContact OD1-CD 3.28Å; D147-K152 IonicContact OD1-NZ 2.72Å; D147-K152 IonicContact OD2-NZ 3.57Å; D147-K152 PolarHBondContact OD2-NZ 3.36Å
148	K	95	Very high	94.1	Very high	107 Å²	107	48.7 Å²	48.7	47%	0.465	23%	0.23	S	C	.	.	H	α-helix	trans	-59.2	-33.6	177.3	-78.3	170.7	173.3	163.7	0	113.5	Q118 D144 F145	Q118-K148 VanDerWaalsContact OE1-CD 3.24Å; D144-K148 VanDerWaalsContact CG-NZ 3.34Å; D144-K148 WeakPolarHBondContact O-CB 3.48Å; D144-K148 WeakPolarHBondContact O-CG 3.36Å; D144-K148 PolarHBondContact O-N 3.41Å; D144-K148 VanDerWaalsContact OD1-CE 3.22Å; D144-K148 WeakPolarHBondContact OD1-CE 3.46Å; D144-K148 IonicContact OD1-NZ 2.87Å; D144-K148 PolarHBondContact OD1-NZ 2.93Å; D144-K148 WeakPolarHBondContact OD2-CE 3.24Å; D144-K148 IonicContact OD2-NZ 2.85Å; D144-K148 PolarHBondContact OD2-NZ 2.72Å; F145-K148 PolarHBondContact O-N 3.27Å
149	H	93.4	Very high	94.1	Very high	56 Å²	56	48.7 Å²	48.7	26%	0.259	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	2.5	178.8	-69.4	-58.7	0	0	0	114.1	F145 D147 I151	F145-H149 AromaticContact CD1-CD2 3.96Å; F145-H149 AromaticContact CD2-CD2 3.55Å; F145-H149 AromaticContact CD2-NE2 3.71Å; F145-H149 AromaticContact CE1-CD2 3.71Å; F145-H149 AromaticContact CE2-CD2 3.28Å; F145-H149 WeakPolarHBondContact CE2-CD2 3.17Å; F145-H149 AromaticContact CE2-NE2 3.19Å; F145-H149 WeakPolarHBondContact CE2-NE2 3.31Å; F145-H149 AromaticContact CG-CD2 3.9Å; F145-H149 AromaticContact CZ-CD2 3.36Å; F145-H149 WeakPolarHBondContact CZ-CD2 3.42Å; F145-H149 AromaticContact CZ-NE2 3.59Å; F145-H149 PolarHBondContact O-CD2 3.26Å; F145-H149 VanDerWaalsContact O-CD2 3.23Å; F145-H149 PolarHBondContact O-N 2.83Å; F145-H149 VanDerWaalsContact O-N 3.08Å; D147-H149 PolarHBondContact O-N 3.13Å; H149-I151 VanDerWaalsContact C-N 3.28Å; H149-I151 HydrophobicContact CB-CD1 4.18Å; H149-I151 HydrophobicContact CB-CG1 3.97Å; H149-I151 PolarHBondContact O-N 3.27Å
150	H	93.2	Very high	94.1	Very high	151 Å²	151	48.7 Å²	48.7	70%	0.699	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	37.2	178.5	-51.7	-49.7	0	0	0	114.1	L146 D147 H153	L146-H150 PolarHBondContact O-N 2.98Å; D147-H150 PolarHBondContact O-N 3.09Å; D147-H150 VanDerWaalsContact O-N 3.08Å; D147-H150 PolarHBondContact O-ND1 3.4Å; D147-H150 VanDerWaalsContact O-ND1 3.16Å; H150-H153 PolarHBondContact O-CE1 3.43Å
151	I	92.8	Very high	94	Very high	14 Å²	14	43.7 Å²	43.7	7%	0.072	21%	0.206	C	C	.	.			trans	-119.5	8	-177	53.8	168.9	0	0	0	113.7	L87 L100 L146 H149 H153 K154 L156	L87-I151 HydrophobicContact CD2-CD1 4.29Å; L100-I151 HydrophobicContact CD1-CD1 4.22Å; L100-I151 HydrophobicContact CD2-CD1 4.21Å; L146-I151 HydrophobicContact CB-CG1 4.42Å; L146-I151 HydrophobicContact CD2-CD1 3.72Å; L146-I151 HydrophobicContact CD2-CG1 3.73Å; L146-I151 PolarHBondContact O-N 3.14Å; H149-I151 VanDerWaalsContact C-N 3.28Å; H149-I151 HydrophobicContact CB-CD1 4.18Å; H149-I151 HydrophobicContact CB-CG1 3.97Å; H149-I151 PolarHBondContact O-N 3.27Å; I151-H153 PolarHBondContact O-N 3.39Å; I151-H153 VanDerWaalsContact O-N 3.09Å; I151-K154 HydrophobicContact CB-CD 4.39Å; I151-K154 HydrophobicContact CG2-CD 4.2Å; I151-K154 WeakPolarHBondContact O-CB 3.4Å; I151-K154 PolarHBondContact O-N 2.74Å; I151-L156 HydrophobicContact CD1-CD1 4.13Å
152	K	91.4	Very high	93.9	Very high	46 Å²	46	43.7 Å²	43.7	20%	0.2	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.5	-179.1	-160.4	166.6	-177.6	175	0	115	S143 L146 D147 K154 D206 F207	S143-K152 PolarHBondContact OG-NZ 3.34Å; L146-K152 HydrophobicContact CB-CB 4.04Å; L146-K152 HydrophobicContact CB-CG 4.24Å; D147-K152 WeakPolarHBondContact OD1-CD 3.28Å; D147-K152 IonicContact OD1-NZ 2.72Å; D147-K152 IonicContact OD2-NZ 3.57Å; D147-K152 PolarHBondContact OD2-NZ 3.36Å; K152-K154 VanDerWaalsContact C-N 3.32Å; K152-D206 VanDerWaalsContact CE-CG 3.41Å; K152-D206 WeakPolarHBondContact CE-O 3.32Å; K152-D206 VanDerWaalsContact CE-OD2 3.22Å; K152-D206 WeakPolarHBondContact CE-OD2 3.41Å; K152-D206 IonicContact NZ-OD2 3.07Å; K152-D206 PolarHBondContact NZ-OD2 3.39Å; K152-F207 HydrophobicContact CG-CB 3.76Å
153	H	89.5	Confident	93.6	Very high	154 Å²	154	43.7 Å²	43.7	71%	0.713	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-10.1	176.3	64.8	-84.9	0	0	0	113.7	H150 I151	H150-H153 PolarHBondContact O-CE1 3.43Å; I151-H153 PolarHBondContact O-N 3.39Å; I151-H153 VanDerWaalsContact O-N 3.09Å
154	K	89.6	Confident	93.3	Very high	79 Å²	79	43.7 Å²	43.7	34%	0.343	21%	0.205	S	C	.	.	S	Bend	trans	-92.9	132.6	178.9	-62.5	-171.6	175	-171	0	109.8	D85 I151 K152 L156	D85-K154 IonicContact OD2-NZ 2.65Å; I151-K154 HydrophobicContact CB-CD 4.39Å; I151-K154 HydrophobicContact CG2-CD 4.2Å; I151-K154 WeakPolarHBondContact O-CB 3.4Å; I151-K154 PolarHBondContact O-N 2.74Å; K152-K154 VanDerWaalsContact C-N 3.32Å; K154-L156 HydrophobicContact CB-CD2 4.11Å; K154-L156 HydrophobicContact CB-CG 3.96Å; K154-L156 HydrophobicContact CD-CD2 4.18Å; K154-L156 PolarHBondContact O-N 3.25Å
155	K	90.8	Very high	93	Very high	128 Å²	128	41.2 Å²	41.2	56%	0.557	19%	0.193	S	C	*	.			trans	-87.9	97.1	165.9	-173.3	172.3	-174.3	160.9	0	108.5	E208	K155-E208 HydrophobicContact CD-CB 4.44Å; K155-E208 HydrophobicContact CG-CB 4.47Å; K155-E208 IonicContact NZ-OE2 3.14Å; K155-E208 PolarHBondContact NZ-OE2 3.11Å
156	L	91.4	Very high	92.8	Very high	14 Å²	14	41.4 Å²	41.4	7%	0.073	19%	0.194	C	C	.	.			trans	-97.7	146.1	-178.4	-63.7	176.7	0	0	0	110.5	D85 L87 L100 I151 K154 M209 D210	D85-L156 HydrophobicContact CB-CD2 4Å; L87-L156 HydrophobicContact CD1-CB 3.96Å; L87-L156 HydrophobicContact CD1-CD1 4.11Å; L87-L156 HydrophobicContact CD2-CD1 4.28Å; L87-L156 HydrophobicContact CG-CB 4.04Å; L87-L156 HydrophobicContact CG-CD1 3.86Å; L100-L156 HydrophobicContact CD1-CD1 3.87Å; I151-L156 HydrophobicContact CD1-CD1 4.13Å; K154-L156 HydrophobicContact CB-CD2 4.11Å; K154-L156 HydrophobicContact CB-CG 3.96Å; K154-L156 HydrophobicContact CD-CD2 4.18Å; K154-L156 PolarHBondContact O-N 3.25Å; L156-M209 HydrophobicContact CB-SD 4.39Å; L156-D210 PolarHBondContact O-N 3.03Å
157	P	93.6	Very high	92.7	Very high	29 Å²	29	46.7 Å²	46.7	19%	0.188	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	139	167.7	-15.1	28.7	0	0	0	110.4	F86 L87 D210 V212	F86-P157 HydrophobicContact CD1-CB 3.94Å; F86-P157 HydrophobicContact CD1-CG 4.18Å; F86-P157 HydrophobicContact CE1-CB 4.24Å; F86-P157 HydrophobicContact CE1-CG 4.17Å; L87-P157 PolarHBondContact N-O 3.43Å; P157-D210 CarbonylContact C-O 3.55Å; P157-D210 WeakPolarHBondContact CA-O 3.17Å; P157-V212 HydrophobicContact CB-CG1 4.05Å; P157-V212 HydrophobicContact CB-CG2 3.96Å
158	L	94.6	Very high	92.5	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.6	-175.2	-174.3	80.8	0	0	0	110.4	L87 L89 M142 L197 D210 V211 V212	L87-L158 HydrophobicContact CB-CD1 3.29Å; L87-L158 HydrophobicContact CB-CG 4.5Å; L87-L158 HydrophobicContact CD1-CD1 4.3Å; L87-L158 HydrophobicContact CG-CD1 4.45Å; L87-L158 WeakPolarHBondContact O-CA 3.45Å; L89-L158 HydrophobicContact CD1-CD1 4.46Å; L89-L158 HydrophobicContact CD1-CD2 3.9Å; L89-L158 HydrophobicContact CD2-CD1 3.9Å; L89-L158 HydrophobicContact CG-CD1 3.78Å; L89-L158 HydrophobicContact CG-CD2 4.06Å; L89-L158 HydrophobicContact CG-CG 4.2Å; M142-L158 HydrophobicContact CE-CD1 4.16Å; M142-L158 HydrophobicContact CE-CD2 3.99Å; L158-L197 HydrophobicContact CD2-CD2 3.95Å; L158-D210 PolarHBondContact N-O 3.13Å; L158-V211 HydrophobicContact CD2-CG1 4.44Å; L158-V211 HydrophobicContact CD2-CG2 3.85Å; L158-V212 PolarHBondContact O-N 2.9Å
159	G	95.4	Very high	92.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.5	164.2	0	0	0	0	0	110.5	L87 A88 L89 A213 S465	L87-G159 PolarHBondContact O-N 2.91Å; A88-G159 CarbonylContact C-O 3.55Å; A88-G159 VanDerWaalsContact CA-O 3.24Å; A88-G159 WeakPolarHBondContact CA-O 3.34Å; L89-G159 PolarHBondContact N-O 2.84Å; G159-A213 CarbonylContact C-O 3.48Å; G159-A213 WeakPolarHBondContact CA-O 3.13Å; G159-S465 WeakPolarHBondContact CA-OG 3.33Å; G159-S465 PolarHBondContact N-OG 3.34Å; G159-S465 VanDerWaalsContact N-OG 3.08Å
160	F	95.6	Very high	91.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	100.4	179.5	-172.4	-172.5	0	0	0	110.9	L89 L91 F135 F162 V193 L197 V211 A213 M214 V215	L89-F160 HydrophobicContact CB-CD2 3.67Å; L89-F160 HydrophobicContact CB-CE2 4.13Å; L89-F160 HydrophobicContact CB-CG 4.43Å; L89-F160 HydrophobicContact CD1-CD2 4.21Å; L89-F160 HydrophobicContact CD1-CE2 4.4Å; L89-F160 HydrophobicContact CD1-CG 4.47Å; L89-F160 HydrophobicContact CG-CD2 4.48Å; L91-F160 HydrophobicContact CB-CE2 3.94Å; L91-F160 HydrophobicContact CD2-CE2 4.37Å; L91-F160 HydrophobicContact CD2-CZ 4.21Å; F135-F160 HydrophobicContact CE1-CE1 4.1Å; F135-F160 HydrophobicContact CE1-CZ 4.2Å; F160-F162 HydrophobicContact CD2-CB 4.28Å; F160-F162 HydrophobicContact CE1-CD2 4.26Å; F160-F162 HydrophobicContact CE2-CB 4.14Å; F160-F162 AromaticContact CE2-CD2 3.99Å; F160-F162 HydrophobicContact CE2-CD2 3.99Å; F160-F162 HydrophobicContact CZ-CB 4.33Å; F160-F162 AromaticContact CZ-CD2 3.63Å; F160-F162 HydrophobicContact CZ-CD2 3.63Å; F160-F162 HydrophobicContact CZ-CE2 4.4Å; F160-F162 HydrophobicContact CZ-CG 4.36Å; F160-F162 PolarHBondContact O-N 3.42Å; F160-V193 HydrophobicContact CD1-CG1 4.26Å; F160-V193 HydrophobicContact CE1-CG1 3.57Å; F160-V193 HydrophobicContact CZ-CG1 4.26Å; F160-L197 HydrophobicContact CD1-CD2 3.65Å; F160-L197 HydrophobicContact CE1-CB 4.38Å; F160-L197 HydrophobicContact CE1-CD2 3.83Å; F160-L197 HydrophobicContact CG-CD2 4.29Å; F160-V211 HydrophobicContact CB-CG1 4.49Å; F160-A213 PolarHBondContact N-O 3.1Å; F160-M214 HydrophobicContact CB-CB 4.43Å; F160-M214 HydrophobicContact CB-CG 4.1Å; F160-M214 HydrophobicContact CD1-CG 4.22Å; F160-M214 HydrophobicContact CG-CG 4.27Å; F160-M214 CarbonylContact O-C 3.44Å; F160-M214 VanDerWaalsContact O-CA 3.23Å; F160-M214 WeakPolarHBondContact O-CA 3.48Å; F160-M214 VanDerWaalsContact O-CG 3.32Å; F160-M214 WeakPolarHBondContact O-CG 3.28Å; F160-V215 PolarHBondContact O-N 2.99Å
161	T	95.1	Very high	91.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	112.9	167.3	-55	0	0	0	0	109.7	L89 L91 V215 D217 A220 S457 A461	L89-T161 WeakPolarHBondContact O-CA 3.43Å; L89-T161 VanDerWaalsContact O-CB 3.28Å; L89-T161 WeakPolarHBondContact O-CB 3Å; L89-T161 PolarHBondContact O-N 3.4Å; L91-T161 PolarHBondContact N-O 3.37Å; T161-V215 CarbonylContact C-O 3.07Å; T161-V215 VanDerWaalsContact CA-O 3.3Å; T161-V215 WeakPolarHBondContact CA-O 3.18Å; T161-D217 VanDerWaalsContact CG2-CA 3.49Å; T161-D217 HydrophobicContact CG2-CB 3.78Å; T161-A220 HydrophobicContact CG2-CB 4.38Å; T161-S457 PolarHBondContact OG1-O 3.25Å; T161-A461 WeakPolarHBondContact OG1-CB 3.31Å
162	F	94.2	Very high	91.4	Very high	3 Å²	3	39.2 Å²	39.2	1%	0.013	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	99.3	-177.9	-173.4	-102.2	0	0	0	109.2	L91 F160 F164 V166 L176 W179 V193 M214 V215	L91-F162 HydrophobicContact CB-CD2 4.48Å; L91-F162 HydrophobicContact CD2-CD2 3.87Å; L91-F162 HydrophobicContact CD2-CE2 3.82Å; L91-F162 HydrophobicContact CG-CD2 4.38Å; F160-F162 HydrophobicContact CD2-CB 4.28Å; F160-F162 HydrophobicContact CE1-CD2 4.26Å; F160-F162 HydrophobicContact CE2-CB 4.14Å; F160-F162 AromaticContact CE2-CD2 3.99Å; F160-F162 HydrophobicContact CE2-CD2 3.99Å; F160-F162 HydrophobicContact CZ-CB 4.33Å; F160-F162 AromaticContact CZ-CD2 3.63Å; F160-F162 HydrophobicContact CZ-CD2 3.63Å; F160-F162 HydrophobicContact CZ-CE2 4.4Å; F160-F162 HydrophobicContact CZ-CG 4.36Å; F160-F162 PolarHBondContact O-N 3.42Å; F162-F164 HydrophobicContact CD1-CB 4.09Å; F162-F164 AromaticContact CD1-CD2 3.84Å; F162-F164 HydrophobicContact CD1-CD2 3.84Å; F162-F164 HydrophobicContact CD1-CG 4.45Å; F162-F164 AromaticContact CD2-CD2 3.95Å; F162-F164 HydrophobicContact CD2-CD2 3.95Å; F162-F164 HydrophobicContact CD2-CE2 4.3Å; F162-F164 HydrophobicContact CE1-CB 3.68Å; F162-F164 AromaticContact CE1-CD2 3.57Å; F162-F164 HydrophobicContact CE1-CD2 3.57Å; F162-F164 AromaticContact CE1-CG 3.99Å; F162-F164 HydrophobicContact CE1-CG 3.99Å; F162-F164 AromaticContact CE2-CD2 3.65Å; F162-F164 HydrophobicContact CE2-CD2 3.65Å; F162-F164 AromaticContact CE2-CE2 3.95Å; F162-F164 HydrophobicContact CE2-CE2 3.95Å; F162-F164 HydrophobicContact CG-CD2 4.04Å; F162-F164 HydrophobicContact CZ-CB 4.27Å; F162-F164 AromaticContact CZ-CD2 3.46Å; F162-F164 HydrophobicContact CZ-CD2 3.46Å; F162-F164 VanDerWaalsContact CZ-CD2 3.46Å; F162-F164 HydrophobicContact CZ-CE2 4.13Å; F162-F164 HydrophobicContact CZ-CG 4.12Å; F162-F164 PolarHBondContact O-N 2.81Å; F162-V166 HydrophobicContact CD1-CG2 3.63Å; F162-V166 HydrophobicContact CE1-CG2 3.82Å; F162-L176 HydrophobicContact CE1-CD1 4.06Å; F162-L176 HydrophobicContact CZ-CD1 4.49Å; F162-L176 HydrophobicContact CZ-CD2 4.46Å; F162-W179 HydrophobicContact CE2-CH2 4.08Å; F162-W179 HydrophobicContact CE2-CZ3 4.13Å; F162-W179 AromaticContact CZ-CH2 3.68Å; F162-W179 HydrophobicContact CZ-CH2 3.68Å; F162-W179 AromaticContact CZ-CZ3 3.63Å; F162-W179 HydrophobicContact CZ-CZ3 3.63Å; F162-V193 HydrophobicContact CD1-CG1 4.17Å; F162-V193 HydrophobicContact CD1-CG2 4.32Å; F162-V193 HydrophobicContact CD2-CG1 3.95Å; F162-V193 HydrophobicContact CE1-CG1 4.16Å; F162-V193 HydrophobicContact CE1-CG2 3.75Å; F162-V193 HydrophobicContact CE2-CG1 3.98Å; F162-V193 HydrophobicContact CG-CG1 4.04Å; F162-V193 HydrophobicContact CZ-CG1 4.08Å; F162-V193 HydrophobicContact CZ-CG2 3.95Å; F162-M214 HydrophobicContact CB-CG 4.19Å; F162-M214 HydrophobicContact CB-SD 4.28Å; F162-V215 PolarHBondContact N-O 3.3Å
163	S	90.3	Very high	91.4	Very high	1 Å²	1	41 Å²	41	1%	0.007	19%	0.189	C	C	.	.			trans	-84.2	52.4	-167.2	-44.6	0	0	0	0	113.8	L91 G92 K181 D217	L91-S163 PolarHBondContact O-N 3.44Å; G92-S163 VanDerWaalsContact CA-CB 3.48Å; G92-S163 WeakPolarHBondContact CA-OG 3.32Å; S163-K181 PolarHBondContact O-NZ 3.4Å; S163-D217 WeakPolarHBondContact CB-OD2 3.43Å; S163-D217 WeakPolarHBondContact OG-CB 3.39Å; S163-D217 PolarHBondContact OG-OD2 3.13Å
164	F	90.1	Very high	91.6	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	16%	0.156	C	C	.	.	S	Bend	trans	-132.4	161.6	177	-57.7	-86.4	0	0	0	110.3	L91 F162 V166 L176 W179 T180 F183	L91-F164 HydrophobicContact CG-CE2 4.32Å; F162-F164 HydrophobicContact CD1-CB 4.09Å; F162-F164 AromaticContact CD1-CD2 3.84Å; F162-F164 HydrophobicContact CD1-CD2 3.84Å; F162-F164 HydrophobicContact CD1-CG 4.45Å; F162-F164 AromaticContact CD2-CD2 3.95Å; F162-F164 HydrophobicContact CD2-CD2 3.95Å; F162-F164 HydrophobicContact CD2-CE2 4.3Å; F162-F164 HydrophobicContact CE1-CB 3.68Å; F162-F164 AromaticContact CE1-CD2 3.57Å; F162-F164 HydrophobicContact CE1-CD2 3.57Å; F162-F164 AromaticContact CE1-CG 3.99Å; F162-F164 HydrophobicContact CE1-CG 3.99Å; F162-F164 AromaticContact CE2-CD2 3.65Å; F162-F164 HydrophobicContact CE2-CD2 3.65Å; F162-F164 AromaticContact CE2-CE2 3.95Å; F162-F164 HydrophobicContact CE2-CE2 3.95Å; F162-F164 HydrophobicContact CG-CD2 4.04Å; F162-F164 HydrophobicContact CZ-CB 4.27Å; F162-F164 AromaticContact CZ-CD2 3.46Å; F162-F164 HydrophobicContact CZ-CD2 3.46Å; F162-F164 VanDerWaalsContact CZ-CD2 3.46Å; F162-F164 HydrophobicContact CZ-CE2 4.13Å; F162-F164 HydrophobicContact CZ-CG 4.12Å; F162-F164 PolarHBondContact O-N 2.81Å; F164-V166 PolarHBondContact O-N 2.84Å; F164-V166 VanDerWaalsContact O-N 3.11Å; F164-L176 HydrophobicContact CB-CD1 3.86Å; F164-W179 AromaticContact CD1-CE3 3.56Å; F164-W179 HydrophobicContact CD1-CE3 3.56Å; F164-W179 AromaticContact CD1-CZ3 3.87Å; F164-W179 HydrophobicContact CD1-CZ3 3.87Å; F164-W179 HydrophobicContact CD2-CE3 4.28Å; F164-W179 AromaticContact CD2-CZ3 3.74Å; F164-W179 HydrophobicContact CD2-CZ3 3.74Å; F164-W179 AromaticContact CE1-CE3 3.6Å; F164-W179 HydrophobicContact CE1-CE3 3.6Å; F164-W179 AromaticContact CE1-CZ3 3.8Å; F164-W179 HydrophobicContact CE1-CZ3 3.8Å; F164-W179 HydrophobicContact CE2-CE3 4.33Å; F164-W179 AromaticContact CE2-CZ3 3.68Å; F164-W179 HydrophobicContact CE2-CZ3 3.68Å; F164-W179 AromaticContact CG-CE3 3.91Å; F164-W179 HydrophobicContact CG-CE3 3.91Å; F164-W179 AromaticContact CG-CZ3 3.83Å; F164-W179 HydrophobicContact CG-CZ3 3.83Å; F164-W179 HydrophobicContact CZ-CE3 4Å; F164-W179 AromaticContact CZ-CZ3 3.7Å; F164-W179 HydrophobicContact CZ-CZ3 3.7Å; F164-T180 WeakPolarHBondContact CD1-OG1 3.5Å; F164-F183 HydrophobicContact CE1-CB 4.11Å; F164-F183 AromaticContact CE1-CD2 3.63Å; F164-F183 HydrophobicContact CE1-CD2 3.63Å; F164-F183 HydrophobicContact CE1-CE2 4.25Å; F164-F183 AromaticContact CE1-CG 3.94Å; F164-F183 HydrophobicContact CE1-CG 3.94Å; F164-F183 HydrophobicContact CZ-CB 4.38Å; F164-F183 HydrophobicContact CZ-CD1 4.23Å; F164-F183 AromaticContact CZ-CD2 3.43Å; F164-F183 HydrophobicContact CZ-CD2 3.43Å; F164-F183 VanDerWaalsContact CZ-CD2 3.43Å; F164-F183 HydrophobicContact CZ-CE1 4.4Å; F164-F183 AromaticContact CZ-CE2 3.63Å; F164-F183 HydrophobicContact CZ-CE2 3.63Å; F164-F183 AromaticContact CZ-CG 3.75Å; F164-F183 HydrophobicContact CZ-CG 3.75Å; F164-F183 HydrophobicContact CZ-CZ 4.12Å
165	P	89.8	Confident	91.9	Very high	6 Å²	6	31 Å²	31	4%	0.039	15%	0.145	C	C	.	.			trans	-60.7	113.7	174.2	-23.5	33.8	0	0	0	111.2	L177 T180 E268	P165-L177 HydrophobicContact CB-CB 4.31Å; P165-L177 PolarHBondContact O-N 3.43Å; P165-T180 HydrophobicContact CG-CG2 3.93Å; P165-E268 HydrophobicContact CB-CG 4.39Å
166	V	92.6	Very high	92.1	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.024	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.9	179.6	176.1	0	0	0	0	110.2	F162 F164 H168 G174 I175 M214	F162-V166 HydrophobicContact CD1-CG2 3.63Å; F162-V166 HydrophobicContact CE1-CG2 3.82Å; F164-V166 PolarHBondContact O-N 2.84Å; F164-V166 VanDerWaalsContact O-N 3.11Å; V166-H168 PolarHBondContact O-N 3.43Å; V166-G174 VanDerWaalsContact CG1-C 3.4Å; V166-I175 WeakPolarHBondContact CA-O 3.41Å; V166-I175 WeakPolarHBondContact CG1-O 3.41Å; V166-M214 HydrophobicContact CB-CE 4.05Å; V166-M214 HydrophobicContact CG1-CE 3.45Å; V166-M214 VanDerWaalsContact CG1-CE 3.45Å; V166-M214 HydrophobicContact CG2-CE 4.1Å
167	R	92.7	Very high	92.1	Very high	112 Å²	112	27.6 Å²	27.6	42%	0.423	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	111.8	164.4	-178.2	175.4	65.5	78.3	4.5	109	E169 I175 L177	R167-E169 IonicContact CZ-OE1 2.6Å; R167-E169 IonicContact NH1-OE1 3.41Å; R167-E169 PolarHBondContact NH1-OE1 3.21Å; R167-E169 IonicContact NH2-OE1 2.77Å; R167-E169 PolarHBondContact NH2-OE1 3.05Å; R167-I175 PolarHBondContact N-O 2.6Å; R167-I175 PolarHBondContact O-N 2.79Å; R167-L177 HydrophobicContact CB-CD1 4.33Å; R167-L177 HydrophobicContact CB-CD2 3.83Å; R167-L177 HydrophobicContact CB-CG 4.21Å
168	H	90.9	Very high	91.8	Very high	17 Å²	17	29.3 Å²	29.3	8%	0.079	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	134.9	174.4	-73.7	-97.4	0	0	0	110.8	Y73 V166 D170 K173 M214	Y73-H168 HydrophobicContact CD2-CB 3.63Å; Y73-H168 HydrophobicContact CE2-CB 3.73Å; Y73-H168 WeakPolarHBondContact CE2-O 3.19Å; V166-H168 PolarHBondContact O-N 3.43Å; H168-D170 PolarHBondContact ND1-O 3.45Å; H168-K173 WeakPolarHBondContact CA-O 3.42Å; H168-M214 WeakPolarHBondContact CE1-CE 3.37Å; H168-M214 PolarHBondContact CE1-O 2.77Å
169	E	88	Confident	91.6	Very high	98 Å²	98	30.3 Å²	30.3	46%	0.458	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-22.2	166.5	-64.8	-176.6	169.3	0	0	111	R167 K173	R167-E169 IonicContact CZ-OE1 2.6Å; R167-E169 IonicContact NH1-OE1 3.41Å; R167-E169 PolarHBondContact NH1-OE1 3.21Å; R167-E169 IonicContact NH2-OE1 2.77Å; R167-E169 PolarHBondContact NH2-OE1 3.05Å; E169-K173 HydrophobicContact CB-CB 4.31Å; E169-K173 PolarHBondContact N-O 3.07Å
170	D	87.4	Confident	90.9	Very high	69 Å²	69	30.6 Å²	30.6	37%	0.369	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	175.2	175.1	-152.3	-27.2	0	0	0	108.3	H168 D172 K173	H168-D170 PolarHBondContact ND1-O 3.45Å; D170-D172 PolarHBondContact O-N 3.42Å; D170-K173 HydrophobicContact CB-CB 4.03Å; D170-K173 HydrophobicContact CB-CD 4.13Å; D170-K173 HydrophobicContact CB-CG 4.32Å; D170-K173 PolarHBondContact N-O 2.84Å; D170-K173 PolarHBondContact O-N 2.79Å; D170-K173 VanDerWaalsContact O-O 3.07Å
171	L	87.3	Confident	90	Very high	28 Å²	28	32.1 Å²	32.1	15%	0.147	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.7	176.8	-170.8	63	0	0	0	112.2	V74 A213 M214 I464 A468	V74-L171 HydrophobicContact CG2-CD1 3.94Å; L171-A213 HydrophobicContact CD1-CB 4.31Å; L171-A213 HydrophobicContact CD2-CB 4.11Å; L171-A213 HydrophobicContact CG-CB 3.88Å; L171-A213 CarbonylContact O-C 3.59Å; L171-A213 WeakPolarHBondContact O-CA 3.22Å; L171-M214 PolarHBondContact O-N 2.99Å; L171-I464 HydrophobicContact CD1-CG2 4.28Å; L171-A468 HydrophobicContact CD2-CB 3.55Å
172	D	89.4	Confident	89.2	Confident	33 Å²	33	33.2 Å²	33.2	18%	0.176	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	11.9	178.7	86.8	-41	0	0	0	113.9	D170 V194 R198	D170-D172 PolarHBondContact O-N 3.42Å; D172-V194 VanDerWaalsContact O-CB 3.29Å; D172-V194 WeakPolarHBondContact O-CB 3.42Å; D172-V194 WeakPolarHBondContact O-CG1 3.46Å; D172-V194 VanDerWaalsContact O-CG2 3.3Å; D172-V194 WeakPolarHBondContact O-CG2 3.39Å; D172-R198 IonicContact OD2-CZ 3.4Å; D172-R198 IonicContact OD2-NH1 3.56Å; D172-R198 PolarHBondContact OD2-NH1 3.02Å; D172-R198 IonicContact OD2-NH2 2.74Å; D172-R198 PolarHBondContact OD2-NH2 3.13Å
173	K	91	Very high	88.9	Confident	83 Å²	83	33.1 Å²	33.1	36%	0.361	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	113.7	-178.9	-69.3	170.9	-162.7	153.1	0	111.2	H168 E169 D170	H168-K173 WeakPolarHBondContact CA-O 3.42Å; E169-K173 HydrophobicContact CB-CB 4.31Å; E169-K173 PolarHBondContact N-O 3.07Å; D170-K173 HydrophobicContact CB-CB 4.03Å; D170-K173 HydrophobicContact CB-CD 4.13Å; D170-K173 HydrophobicContact CB-CG 4.32Å; D170-K173 PolarHBondContact N-O 2.84Å; D170-K173 PolarHBondContact O-N 2.79Å; D170-K173 VanDerWaalsContact O-O 3.07Å
174	G	93.4	Very high	88.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	126.3	179.6	0	0	0	0	0	112.2	V166 N192 V193	V166-G174 VanDerWaalsContact CG1-C 3.4Å; G174-N192 WeakPolarHBondContact O-CA 3.39Å; G174-N192 PolarHBondContact O-OD1 2.88Å; G174-V193 PolarHBondContact O-N 2.82Å
175	I	95.8	Very high	88.9	Confident	24 Å²	24	38.4 Å²	38.4	12%	0.123	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116.3	173.3	-53.3	-55	0	0	0	109.1	V166 R167 L177 N191 N192	V166-I175 WeakPolarHBondContact CA-O 3.41Å; V166-I175 WeakPolarHBondContact CG1-O 3.41Å; R167-I175 PolarHBondContact N-O 2.6Å; R167-I175 PolarHBondContact O-N 2.79Å; I175-L177 PolarHBondContact O-N 2.79Å; I175-N191 WeakPolarHBondContact CA-O 3.29Å; I175-N192 HydrophobicContact CD1-CB 3.92Å
176	L	95	Very high	89.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	124.1	173.8	171.2	61.7	0	0	0	109.6	F162 F164 N178 W179 A188 E189 G190 N191 V193	F162-L176 HydrophobicContact CE1-CD1 4.06Å; F162-L176 HydrophobicContact CZ-CD1 4.49Å; F162-L176 HydrophobicContact CZ-CD2 4.46Å; F164-L176 HydrophobicContact CB-CD1 3.86Å; L176-N178 WeakPolarHBondContact CD1-O 3.46Å; L176-W179 HydrophobicContact CD1-CE3 4.49Å; L176-W179 HydrophobicContact CD2-CD2 3.69Å; L176-W179 VanDerWaalsContact CD2-CE2 3.43Å; L176-W179 HydrophobicContact CD2-CE3 3.99Å; L176-W179 HydrophobicContact CD2-CG 4.31Å; L176-W179 HydrophobicContact CD2-CH2 3.88Å; L176-W179 HydrophobicContact CD2-CZ2 3.56Å; L176-W179 HydrophobicContact CD2-CZ3 4.07Å; L176-A188 HydrophobicContact CD2-CB 3.74Å; L176-E189 HydrophobicContact CD2-CG 4.04Å; L176-E189 HydrophobicContact CG-CG 4.21Å; L176-G190 PolarHBondContact O-N 2.95Å; L176-N191 PolarHBondContact N-O 3.41Å; L176-V193 HydrophobicContact CB-CG2 3.79Å
177	L	91.7	Very high	89.2	Confident	70 Å²	70	43.8 Å²	43.8	37%	0.366	23%	0.232	S	C	.	.			trans	-82.2	-55.1	179	-64.1	178.9	0	0	0	111	L70 P165 R167 I175	L70-L177 HydrophobicContact CD1-CD1 4.26Å; L70-L177 HydrophobicContact CD2-CD1 4.33Å; P165-L177 HydrophobicContact CB-CB 4.31Å; P165-L177 PolarHBondContact O-N 3.43Å; R167-L177 HydrophobicContact CB-CD1 4.33Å; R167-L177 HydrophobicContact CB-CD2 3.83Å; R167-L177 HydrophobicContact CB-CG 4.21Å; I175-L177 PolarHBondContact O-N 2.79Å
178	N	88.5	Confident	89.3	Confident	66 Å²	66	38.4 Å²	38.4	35%	0.353	21%	0.212	S	C	.	.			trans	-155.2	147	-178.6	59.3	-79.5	0	0	0	110.4	L176 E189	L176-N178 WeakPolarHBondContact CD1-O 3.46Å; N178-E189 WeakPolarHBondContact CA-OE1 3.49Å
179	W	88.9	Confident	89.5	Confident	21 Å²	21	42.2 Å²	42.2	8%	0.08	23%	0.23	C	C	.	.			trans	-72.1	149.1	171.6	-73.5	117.5	0	0	0	112.2	L134 F162 F164 L176 F183 A185 A188 E189	L134-W179 HydrophobicContact CD2-CH2 3.9Å; L134-W179 HydrophobicContact CD2-CZ2 4.18Å; F162-W179 HydrophobicContact CE2-CH2 4.08Å; F162-W179 HydrophobicContact CE2-CZ3 4.13Å; F162-W179 AromaticContact CZ-CH2 3.68Å; F162-W179 HydrophobicContact CZ-CH2 3.68Å; F162-W179 AromaticContact CZ-CZ3 3.63Å; F162-W179 HydrophobicContact CZ-CZ3 3.63Å; F164-W179 AromaticContact CD1-CE3 3.56Å; F164-W179 HydrophobicContact CD1-CE3 3.56Å; F164-W179 AromaticContact CD1-CZ3 3.87Å; F164-W179 HydrophobicContact CD1-CZ3 3.87Å; F164-W179 HydrophobicContact CD2-CE3 4.28Å; F164-W179 AromaticContact CD2-CZ3 3.74Å; F164-W179 HydrophobicContact CD2-CZ3 3.74Å; F164-W179 AromaticContact CE1-CE3 3.6Å; F164-W179 HydrophobicContact CE1-CE3 3.6Å; F164-W179 AromaticContact CE1-CZ3 3.8Å; F164-W179 HydrophobicContact CE1-CZ3 3.8Å; F164-W179 HydrophobicContact CE2-CE3 4.33Å; F164-W179 AromaticContact CE2-CZ3 3.68Å; F164-W179 HydrophobicContact CE2-CZ3 3.68Å; F164-W179 AromaticContact CG-CE3 3.91Å; F164-W179 HydrophobicContact CG-CE3 3.91Å; F164-W179 AromaticContact CG-CZ3 3.83Å; F164-W179 HydrophobicContact CG-CZ3 3.83Å; F164-W179 HydrophobicContact CZ-CE3 4Å; F164-W179 AromaticContact CZ-CZ3 3.7Å; F164-W179 HydrophobicContact CZ-CZ3 3.7Å; L176-W179 HydrophobicContact CD1-CE3 4.49Å; L176-W179 HydrophobicContact CD2-CD2 3.69Å; L176-W179 VanDerWaalsContact CD2-CE2 3.43Å; L176-W179 HydrophobicContact CD2-CE3 3.99Å; L176-W179 HydrophobicContact CD2-CG 4.31Å; L176-W179 HydrophobicContact CD2-CH2 3.88Å; L176-W179 HydrophobicContact CD2-CZ2 3.56Å; L176-W179 HydrophobicContact CD2-CZ3 4.07Å; W179-F183 HydrophobicContact CB-CB 4.23Å; W179-F183 WeakPolarHBondContact CB-O 3.41Å; W179-F183 HydrophobicContact CD2-CB 3.66Å; W179-F183 HydrophobicContact CE3-CB 3.4Å; W179-F183 VanDerWaalsContact CE3-CB 3.4Å; W179-F183 HydrophobicContact CE3-CD1 4.42Å; W179-F183 HydrophobicContact CE3-CG 4.06Å; W179-F183 HydrophobicContact CG-CB 4.06Å; W179-F183 HydrophobicContact CH2-CD1 4.39Å; W179-F183 HydrophobicContact CZ3-CB 3.95Å; W179-F183 HydrophobicContact CZ3-CD1 4.11Å; W179-F183 HydrophobicContact CZ3-CG 4.15Å; W179-A185 HydrophobicContact CZ2-CB 3.96Å; W179-A185 PolarHBondContact NE1-O 3.1Å; W179-A188 HydrophobicContact CH2-CB 4.4Å; W179-A188 HydrophobicContact CZ2-CB 3.37Å; W179-E189 HydrophobicContact CG-CG 4.41Å; W179-E189 PolarHBondContact N-OE1 3.07Å
180	T	81.5	Confident	89.8	Confident	6 Å²	6	40.2 Å²	40.2	4%	0.037	24%	0.235	C	C	.	.			trans	-134.7	-176.5	172.6	67.1	0	0	0	0	109.6	F164 P165 G182 F183	F164-T180 WeakPolarHBondContact CD1-OG1 3.5Å; P165-T180 HydrophobicContact CG-CG2 3.93Å; T180-G182 PolarHBondContact O-N 2.74Å; T180-F183 PolarHBondContact O-N 3.15Å; T180-F183 VanDerWaalsContact O-N 3.13Å
181	K	76.7	Confident	90.2	Very high	32 Å²	32	40.5 Å²	40.5	14%	0.139	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	6.2	168.3	-59.5	168.5	-169.9	171.5	0	116.6	G92 S163 D217 K308	G92-K181 VanDerWaalsContact O-CD 3.22Å; G92-K181 WeakPolarHBondContact O-CD 3.1Å; S163-K181 PolarHBondContact O-NZ 3.4Å; K181-D217 IonicContact NZ-OD2 3.56Å; K181-K308 PolarHBondContact O-NZ 2.78Å; K181-K308 VanDerWaalsContact O-NZ 3.07Å
182	G	78.9	Confident	90.6	Very high	22 Å²	22	41.4 Å²	41.4	23%	0.227	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.5	-7.9	177.6	0	0	0	0	0	114.5	T180	T180-G182 PolarHBondContact O-N 2.74Å
183	F	87	Confident	90.9	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	23%	0.233	C	C	.	.			trans	-74.2	145.5	174.7	-74.6	-103.6	0	0	0	110.7	L91 G93 I122 M127 L134 F164 W179 T180	L91-F183 HydrophobicContact CD1-CE1 4.38Å; L91-F183 HydrophobicContact CD1-CZ 4.16Å; G93-F183 WeakPolarHBondContact O-CZ 3.49Å; I122-F183 HydrophobicContact CD1-CE1 4.28Å; I122-F183 HydrophobicContact CD1-CZ 3.97Å; M127-F183 HydrophobicContact CB-CD1 4.22Å; M127-F183 HydrophobicContact CB-CE1 4.32Å; M127-F183 HydrophobicContact CE-CD1 4.45Å; M127-F183 HydrophobicContact CE-CD2 3.71Å; M127-F183 HydrophobicContact CE-CE1 4.28Å; M127-F183 HydrophobicContact CE-CE2 3.5Å; M127-F183 HydrophobicContact CE-CG 4.19Å; M127-F183 HydrophobicContact CE-CZ 3.82Å; M127-F183 HydrophobicContact CG-CD1 4.25Å; M127-F183 HydrophobicContact CG-CE1 3.85Å; M127-F183 HydrophobicContact CG-CZ 4.09Å; M127-F183 HydrophobicContact SD-CZ 4.34Å; L134-F183 HydrophobicContact CD1-CE1 4.29Å; L134-F183 HydrophobicContact CD2-CD1 4.24Å; L134-F183 HydrophobicContact CD2-CE1 4.31Å; F164-F183 HydrophobicContact CE1-CB 4.11Å; F164-F183 AromaticContact CE1-CD2 3.63Å; F164-F183 HydrophobicContact CE1-CD2 3.63Å; F164-F183 HydrophobicContact CE1-CE2 4.25Å; F164-F183 AromaticContact CE1-CG 3.94Å; F164-F183 HydrophobicContact CE1-CG 3.94Å; F164-F183 HydrophobicContact CZ-CB 4.38Å; F164-F183 HydrophobicContact CZ-CD1 4.23Å; F164-F183 AromaticContact CZ-CD2 3.43Å; F164-F183 HydrophobicContact CZ-CD2 3.43Å; F164-F183 VanDerWaalsContact CZ-CD2 3.43Å; F164-F183 HydrophobicContact CZ-CE1 4.4Å; F164-F183 AromaticContact CZ-CE2 3.63Å; F164-F183 HydrophobicContact CZ-CE2 3.63Å; F164-F183 AromaticContact CZ-CG 3.75Å; F164-F183 HydrophobicContact CZ-CG 3.75Å; F164-F183 HydrophobicContact CZ-CZ 4.12Å; W179-F183 HydrophobicContact CB-CB 4.23Å; W179-F183 WeakPolarHBondContact CB-O 3.41Å; W179-F183 HydrophobicContact CD2-CB 3.66Å; W179-F183 HydrophobicContact CE3-CB 3.4Å; W179-F183 VanDerWaalsContact CE3-CB 3.4Å; W179-F183 HydrophobicContact CE3-CD1 4.42Å; W179-F183 HydrophobicContact CE3-CG 4.06Å; W179-F183 HydrophobicContact CG-CB 4.06Å; W179-F183 HydrophobicContact CH2-CD1 4.39Å; W179-F183 HydrophobicContact CZ3-CB 3.95Å; W179-F183 HydrophobicContact CZ3-CD1 4.11Å; W179-F183 HydrophobicContact CZ3-CG 4.15Å; T180-F183 PolarHBondContact O-N 3.15Å; T180-F183 VanDerWaalsContact O-N 3.13Å
184	K	88.7	Confident	91.1	Very high	112 Å²	112	35.9 Å²	35.9	49%	0.487	22%	0.216	S	C	.	.			trans	-149.6	24.5	175.5	-66.9	-164.9	172.9	-168.9	0	112.6	M127 S186	M127-K184 PolarHBondContact O-N 3.14Å; K184-S186 PolarHBondContact O-N 3.15Å; K184-S186 VanDerWaalsContact O-N 3.07Å
185	A	92.6	Very high	91.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.008	23%	0.225	C	C	.	.			trans	-60.3	115	-176.4	0	0	0	0	0	111.1	M127 G129 L134 W179	M127-A185 PolarHBondContact O-N 3.36Å; M127-A185 VanDerWaalsContact O-N 3.15Å; G129-A185 CarbonylContact O-C 3.53Å; G129-A185 WeakPolarHBondContact O-CA 3.39Å; L134-A185 HydrophobicContact CB-CB 4.41Å; L134-A185 HydrophobicContact CD2-CB 4.08Å; W179-A185 HydrophobicContact CZ2-CB 3.96Å; W179-A185 PolarHBondContact NE1-O 3.1Å
186	S	94.2	Very high	91.2	Very high	71 Å²	71	37 Å²	37	50%	0.497	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-68.1	140.9	-174.9	55.9	0	0	0	0	112.1	G129 T130 A131 K184 A188	G129-S186 PolarHBondContact O-N 3.19Å; G129-S186 PolarHBondContact O-OG 3Å; T130-S186 CarbonylContact C-O 3.57Å; A131-S186 WeakPolarHBondContact CB-O 3.3Å; A131-S186 PolarHBondContact N-O 3.44Å; K184-S186 PolarHBondContact O-N 3.15Å; K184-S186 VanDerWaalsContact O-N 3.07Å; S186-A188 VanDerWaalsContact C-N 3.35Å
187	G	93.8	Very high	91.3	Very high	52 Å²	52	37 Å²	37	54%	0.536	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	5.1	-179.1	0	0	0	0	0	115.4	N191	G187-N191 PolarHBondContact O-ND2 2.89Å; G187-N191 VanDerWaalsContact O-ND2 3.17Å
188	A	94	Very high	91.4	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.226	C	C	.	.			trans	-91.1	-41.6	172.7	0	0	0	0	0	112.6	A131 L176 W179 S186 N191 L196	A131-A188 HydrophobicContact CB-CB 3.9Å; L176-A188 HydrophobicContact CD2-CB 3.74Å; W179-A188 HydrophobicContact CH2-CB 4.4Å; W179-A188 HydrophobicContact CZ2-CB 3.37Å; S186-A188 VanDerWaalsContact C-N 3.35Å; A188-N191 WeakPolarHBondContact O-CB 3.43Å; A188-N191 PolarHBondContact O-N 3.2Å; A188-N191 VanDerWaalsContact O-N 3.09Å; A188-L196 HydrophobicContact CB-CD1 4.27Å
189	E	95.3	Very high	91.8	Very high	97 Å²	97	38.9 Å²	38.9	45%	0.453	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	138.2	177.5	-65.3	178	166.2	0	0	110.5	L176 N178 W179 N191	L176-E189 HydrophobicContact CD2-CG 4.04Å; L176-E189 HydrophobicContact CG-CG 4.21Å; N178-E189 WeakPolarHBondContact CA-OE1 3.49Å; W179-E189 HydrophobicContact CG-CG 4.41Å; W179-E189 PolarHBondContact N-OE1 3.07Å; E189-N191 PolarHBondContact O-N 3.13Å; E189-N191 PolarHBondContact O-ND2 2.79Å
190	G	95.4	Very high	92.2	Very high	55 Å²	55	37.9 Å²	37.9	57%	0.567	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	0.8	-174.3	0	0	0	0	0	115.3	L176	L176-G190 PolarHBondContact O-N 2.95Å
191	N	95.5	Very high	92.8	Very high	76 Å²	76	38.2 Å²	38.2	41%	0.406	23%	0.227	S	C	.	.	S	Bend	trans	-113.3	156.7	-177.1	-69.7	-90.1	0	0	0	112.6	I175 L176 G187 A188 E189 V193 L196	I175-N191 WeakPolarHBondContact CA-O 3.29Å; L176-N191 PolarHBondContact N-O 3.41Å; G187-N191 PolarHBondContact O-ND2 2.89Å; G187-N191 VanDerWaalsContact O-ND2 3.17Å; A188-N191 WeakPolarHBondContact O-CB 3.43Å; A188-N191 PolarHBondContact O-N 3.2Å; A188-N191 VanDerWaalsContact O-N 3.09Å; E189-N191 PolarHBondContact O-N 3.13Å; E189-N191 PolarHBondContact O-ND2 2.79Å; N191-V193 PolarHBondContact O-N 2.69Å; N191-L196 HydrophobicContact CB-CD1 4.21Å
192	N	95.6	Very high	93.7	Very high	46 Å²	46	44.7 Å²	44.7	25%	0.246	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-72.8	109.4	177	-178.8	-1.3	0	0	0	110.8	G174 I175 V194 G195 L196	G174-N192 WeakPolarHBondContact O-CA 3.39Å; G174-N192 PolarHBondContact O-OD1 2.88Å; I175-N192 HydrophobicContact CD1-CB 3.92Å; N192-V194 VanDerWaalsContact C-N 3.33Å; N192-V194 PolarHBondContact O-N 3.05Å; N192-V194 PolarHBondContact OD1-N 3.45Å; N192-V194 VanDerWaalsContact OD1-N 3.07Å; N192-G195 WeakPolarHBondContact O-CA 3.3Å; N192-G195 PolarHBondContact O-N 3.08Å; N192-G195 PolarHBondContact OD1-N 3.11Å; N192-L196 WeakPolarHBondContact O-CG 3.42Å; N192-L196 PolarHBondContact O-N 2.99Å
193	V	95.4	Very high	94.6	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-41	-178.4	171.3	0	0	0	0	112.1	F135 F160 F162 G174 L176 N191 G195 L196 L197 M214	F135-V193 HydrophobicContact CE1-CG1 4.14Å; F135-V193 HydrophobicContact CZ-CG1 3.95Å; F160-V193 HydrophobicContact CD1-CG1 4.26Å; F160-V193 HydrophobicContact CE1-CG1 3.57Å; F160-V193 HydrophobicContact CZ-CG1 4.26Å; F162-V193 HydrophobicContact CD1-CG1 4.17Å; F162-V193 HydrophobicContact CD1-CG2 4.32Å; F162-V193 HydrophobicContact CD2-CG1 3.95Å; F162-V193 HydrophobicContact CE1-CG1 4.16Å; F162-V193 HydrophobicContact CE1-CG2 3.75Å; F162-V193 HydrophobicContact CE2-CG1 3.98Å; F162-V193 HydrophobicContact CG-CG1 4.04Å; F162-V193 HydrophobicContact CZ-CG1 4.08Å; F162-V193 HydrophobicContact CZ-CG2 3.95Å; G174-V193 PolarHBondContact O-N 2.82Å; L176-V193 HydrophobicContact CB-CG2 3.79Å; N191-V193 PolarHBondContact O-N 2.69Å; V193-G195 VanDerWaalsContact C-N 3.29Å; V193-G195 PolarHBondContact O-N 3.14Å; V193-L196 PolarHBondContact O-N 3.46Å; V193-L197 PolarHBondContact O-N 3.21Å; V193-M214 HydrophobicContact CB-SD 3.91Å; V193-M214 HydrophobicContact CG1-SD 3.87Å
194	V	94.7	Very high	95	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.4	-35.4	176.6	175.9	0	0	0	0	110.7	D172 N192 L197 R198 V211 M214	D172-V194 VanDerWaalsContact O-CB 3.29Å; D172-V194 WeakPolarHBondContact O-CB 3.42Å; D172-V194 WeakPolarHBondContact O-CG1 3.46Å; D172-V194 VanDerWaalsContact O-CG2 3.3Å; D172-V194 WeakPolarHBondContact O-CG2 3.39Å; N192-V194 VanDerWaalsContact C-N 3.33Å; N192-V194 PolarHBondContact O-N 3.05Å; N192-V194 PolarHBondContact OD1-N 3.45Å; N192-V194 VanDerWaalsContact OD1-N 3.07Å; V194-L197 PolarHBondContact O-N 3.4Å; V194-R198 HydrophobicContact CG1-CG 4.38Å; V194-R198 VanDerWaalsContact CG1-CZ 3.46Å; V194-R198 WeakPolarHBondContact O-CB 3.26Å; V194-R198 VanDerWaalsContact O-CG 3.25Å; V194-R198 WeakPolarHBondContact O-CG 3.4Å; V194-R198 PolarHBondContact O-N 3.15Å; V194-V211 HydrophobicContact CG1-CB 3.82Å; V194-V211 HydrophobicContact CG1-CG1 3.71Å; V194-V211 HydrophobicContact CG1-CG2 4.32Å; V194-V211 HydrophobicContact CG2-CG1 4.22Å; V194-M214 HydrophobicContact CG2-CB 3.76Å; V194-M214 HydrophobicContact CG2-CG 4.12Å; V194-M214 HydrophobicContact CG2-SD 3.93Å
195	G	95.3	Very high	95.2	Very high	18 Å²	18	51 Å²	51	19%	0.186	29%	0.289	C	S	.	.	H	α-helix	trans	-60.9	-48.5	171.9	0	0	0	0	0	112.2	N192 V193 L197 R198 D199	N192-G195 WeakPolarHBondContact O-CA 3.3Å; N192-G195 PolarHBondContact O-N 3.08Å; N192-G195 PolarHBondContact OD1-N 3.11Å; V193-G195 VanDerWaalsContact C-N 3.29Å; V193-G195 PolarHBondContact O-N 3.14Å; G195-L197 VanDerWaalsContact C-N 3.31Å; G195-L197 PolarHBondContact O-N 3.32Å; G195-R198 PolarHBondContact O-N 3.12Å; G195-R198 VanDerWaalsContact O-N 3.17Å; G195-D199 PolarHBondContact O-N 2.95Å
196	L	96.4	Very high	95.2	Very high	31 Å²	31	53.9 Å²	53.9	16%	0.162	30%	0.304	C	S	.	.	H	α-helix	trans	-59	-41.7	177.8	-65.4	170.6	0	0	0	112.2	A131 F135 A188 N191 N192 V193 A200	A131-L196 HydrophobicContact CB-CD1 4.27Å; A131-L196 HydrophobicContact CB-CD2 4.45Å; F135-L196 HydrophobicContact CD1-CB 4.32Å; F135-L196 HydrophobicContact CD2-CB 3.61Å; F135-L196 HydrophobicContact CD2-CD1 4.14Å; F135-L196 HydrophobicContact CD2-CG 4.42Å; F135-L196 HydrophobicContact CE1-CB 4.34Å; F135-L196 HydrophobicContact CE2-CB 3.68Å; F135-L196 HydrophobicContact CE2-CD1 3.59Å; F135-L196 HydrophobicContact CE2-CG 4.26Å; F135-L196 HydrophobicContact CG-CB 3.98Å; F135-L196 HydrophobicContact CZ-CB 4.06Å; F135-L196 HydrophobicContact CZ-CD1 4.22Å; A188-L196 HydrophobicContact CB-CD1 4.27Å; N191-L196 HydrophobicContact CB-CD1 4.21Å; N192-L196 WeakPolarHBondContact O-CG 3.42Å; N192-L196 PolarHBondContact O-N 2.99Å; V193-L196 PolarHBondContact O-N 3.46Å; L196-A200 PolarHBondContact O-N 3.39Å; L196-A200 VanDerWaalsContact O-N 3.07Å
197	L	96.4	Very high	95.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.6	-45.4	174.9	179.7	61.6	0	0	0	112	L89 F135 I138 M142 L158 F160 V193 V194 G195 D199 A200 I201 V211	L89-L197 HydrophobicContact CD1-CD1 4.36Å; L89-L197 HydrophobicContact CD1-CD2 3.79Å; F135-L197 HydrophobicContact CD1-CB 4.02Å; F135-L197 HydrophobicContact CD1-CD1 4.34Å; F135-L197 HydrophobicContact CE1-CB 4.29Å; I138-L197 HydrophobicContact CG2-CD1 3.76Å; M142-L197 HydrophobicContact SD-CD1 4.14Å; L158-L197 HydrophobicContact CD2-CD2 3.95Å; F160-L197 HydrophobicContact CD1-CD2 3.65Å; F160-L197 HydrophobicContact CE1-CB 4.38Å; F160-L197 HydrophobicContact CE1-CD2 3.83Å; F160-L197 HydrophobicContact CG-CD2 4.29Å; V193-L197 PolarHBondContact O-N 3.21Å; V194-L197 PolarHBondContact O-N 3.4Å; G195-L197 VanDerWaalsContact C-N 3.31Å; G195-L197 PolarHBondContact O-N 3.32Å; L197-D199 VanDerWaalsContact C-N 3.3Å; L197-D199 PolarHBondContact O-N 3.38Å; L197-A200 PolarHBondContact O-N 2.96Å; L197-I201 HydrophobicContact CD1-CD1 4.16Å; L197-I201 HydrophobicContact CD1-CG1 4.39Å; L197-I201 HydrophobicContact CG-CD1 4.02Å; L197-I201 WeakPolarHBondContact O-CG1 3.26Å; L197-I201 PolarHBondContact O-N 3.14Å; L197-V211 HydrophobicContact CD2-CG2 4.25Å
198	R	95.4	Very high	95	Very high	91 Å²	91	54.6 Å²	54.6	34%	0.343	29%	0.286	S	S	.	.	H	α-helix	trans	-59.7	-41.7	177	-76.3	172.2	177.5	154.6	1	111.2	D172 V194 G195 I201 K202 V211	D172-R198 IonicContact OD2-CZ 3.4Å; D172-R198 IonicContact OD2-NH1 3.56Å; D172-R198 PolarHBondContact OD2-NH1 3.02Å; D172-R198 IonicContact OD2-NH2 2.74Å; D172-R198 PolarHBondContact OD2-NH2 3.13Å; V194-R198 HydrophobicContact CG1-CG 4.38Å; V194-R198 VanDerWaalsContact CG1-CZ 3.46Å; V194-R198 WeakPolarHBondContact O-CB 3.26Å; V194-R198 VanDerWaalsContact O-CG 3.25Å; V194-R198 WeakPolarHBondContact O-CG 3.4Å; V194-R198 PolarHBondContact O-N 3.15Å; G195-R198 PolarHBondContact O-N 3.12Å; G195-R198 VanDerWaalsContact O-N 3.17Å; R198-I201 PolarHBondContact O-N 2.51Å; R198-K202 WeakPolarHBondContact O-CB 3.45Å; R198-K202 PolarHBondContact O-N 3.49Å; R198-V211 HydrophobicContact CG-CG2 4.28Å; R198-V211 PolarHBondContact NH2-O 3.39Å
199	D	95.9	Very high	94.7	Very high	84 Å²	84	55.7 Å²	55.7	45%	0.449	29%	0.291	S	S	.	.	H	α-helix	trans	-65.1	-40.5	177.2	-73.5	-21.9	0	0	0	112.1	G195 L197 K202 R203	G195-D199 PolarHBondContact O-N 2.95Å; L197-D199 VanDerWaalsContact C-N 3.3Å; L197-D199 PolarHBondContact O-N 3.38Å; D199-K202 PolarHBondContact O-N 3.38Å; D199-R203 WeakPolarHBondContact O-CG 3.17Å; D199-R203 PolarHBondContact O-N 3.22Å
200	A	97	Very high	94.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-45.1	176.1	0	0	0	0	0	112.7	F135 D136 A139 L196 L197 K202 R203 R204	F135-A200 VanDerWaalsContact C-CB 3.49Å; F135-A200 HydrophobicContact CB-CB 3.77Å; F135-A200 VanDerWaalsContact O-CB 3.29Å; F135-A200 WeakPolarHBondContact O-CB 3.22Å; D136-A200 WeakPolarHBondContact OD1-CB 3.47Å; A139-A200 HydrophobicContact CB-CB 4.13Å; L196-A200 PolarHBondContact O-N 3.39Å; L196-A200 VanDerWaalsContact O-N 3.07Å; L197-A200 PolarHBondContact O-N 2.96Å; A200-K202 VanDerWaalsContact C-N 3.28Å; A200-K202 PolarHBondContact O-N 2.86Å; A200-R203 VanDerWaalsContact CA-NH2 3.27Å; A200-R203 PolarHBondContact O-N 3.1Å; A200-R204 PolarHBondContact O-N 2.55Å
201	I	95.2	Very high	94.2	Very high	12 Å²	12	52.2 Å²	52.2	6%	0.062	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-42.4	175.1	-66.1	169	0	0	0	110.2	A139 M142 L197 R198 R204 G205 F207 M209	A139-I201 HydrophobicContact CB-CG1 4.44Å; M142-I201 HydrophobicContact CE-CD1 4.05Å; M142-I201 HydrophobicContact SD-CD1 4.3Å; L197-I201 HydrophobicContact CD1-CD1 4.16Å; L197-I201 HydrophobicContact CD1-CG1 4.39Å; L197-I201 HydrophobicContact CG-CD1 4.02Å; L197-I201 WeakPolarHBondContact O-CG1 3.26Å; L197-I201 PolarHBondContact O-N 3.14Å; R198-I201 PolarHBondContact O-N 2.51Å; I201-R204 WeakPolarHBondContact O-CB 3.06Å; I201-R204 PolarHBondContact O-N 2.85Å; I201-G205 PolarHBondContact O-N 2.87Å; I201-F207 HydrophobicContact CB-CE2 4.37Å; I201-F207 HydrophobicContact CB-CZ 4.5Å; I201-F207 HydrophobicContact CD1-CE2 4.08Å; I201-F207 HydrophobicContact CG1-CE2 3.88Å; I201-F207 HydrophobicContact CG1-CZ 3.91Å; I201-F207 HydrophobicContact CG2-CD2 4.02Å; I201-F207 HydrophobicContact CG2-CE2 3.65Å; I201-F207 HydrophobicContact CG2-CZ 4.11Å; I201-M209 HydrophobicContact CD1-CB 4.26Å
202	K	95.4	Very high	94	Very high	168 Å²	168	49.7 Å²	49.7	73%	0.73	25%	0.25	S	S	*	.	H	α-helix	trans	-66.5	-42.1	177.6	-175.1	-179.5	178.5	-176.8	0	113	R198 D199 A200 R204 G205	R198-K202 WeakPolarHBondContact O-CB 3.45Å; R198-K202 PolarHBondContact O-N 3.49Å; D199-K202 PolarHBondContact O-N 3.38Å; A200-K202 VanDerWaalsContact C-N 3.28Å; A200-K202 PolarHBondContact O-N 2.86Å; K202-R204 PolarHBondContact O-N 3.44Å; K202-G205 PolarHBondContact O-N 3.4Å
203	R	96.8	Very high	93.9	Very high	113 Å²	113	47.6 Å²	47.6	43%	0.426	24%	0.239	S	C	.	.	H	α-helix	trans	-58.8	-38.7	174.5	-80	-170	-64.2	-84.3	-0.9	111.2	D136 D199 A200	D136-R203 IonicContact OD1-CZ 3.4Å; D136-R203 VanDerWaalsContact OD1-CZ 3.25Å; D136-R203 IonicContact OD1-NE 3.54Å; D136-R203 PolarHBondContact OD1-NE 2.62Å; D136-R203 IonicContact OD1-NH2 2.7Å; D136-R203 PolarHBondContact OD1-NH2 2.95Å; D136-R203 IonicContact OD2-NE 3.41Å; D199-R203 WeakPolarHBondContact O-CG 3.17Å; D199-R203 PolarHBondContact O-N 3.22Å; A200-R203 VanDerWaalsContact CA-NH2 3.27Å; A200-R203 PolarHBondContact O-N 3.1Å
204	R	94.9	Very high	93.8	Very high	92 Å²	92	47.6 Å²	47.6	35%	0.347	24%	0.239	S	C	.	.	H	α-helix	trans	-69.5	-50.1	177.9	-164.1	-174.2	-179.6	88.4	-4.2	112.8	S143 A200 I201 K202 D206	S143-R204 VanDerWaalsContact CB-CZ 3.4Å; S143-R204 PolarHBondContact OG-NE 3.34Å; S143-R204 PolarHBondContact OG-NH2 3.24Å; S143-R204 VanDerWaalsContact OG-NH2 3.09Å; A200-R204 PolarHBondContact O-N 2.55Å; I201-R204 WeakPolarHBondContact O-CB 3.06Å; I201-R204 PolarHBondContact O-N 2.85Å; K202-R204 PolarHBondContact O-N 3.44Å; R204-D206 VanDerWaalsContact C-N 3.33Å; R204-D206 WeakPolarHBondContact CD-OD1 3.14Å; R204-D206 WeakPolarHBondContact CG-OD1 3.45Å; R204-D206 IonicContact CZ-OD2 3.97Å; R204-D206 IonicContact NE-OD1 2.7Å; R204-D206 PolarHBondContact NE-OD1 3.45Å; R204-D206 VanDerWaalsContact NE-OD1 3.09Å; R204-D206 IonicContact NE-OD2 3.57Å; R204-D206 PolarHBondContact NE-OD2 3.44Å; R204-D206 VanDerWaalsContact NE-OD2 3.08Å; R204-D206 IonicContact NH2-OD2 2.73Å; R204-D206 PolarHBondContact O-N 3.3Å
205	G	94.2	Very high	93.7	Very high	63 Å²	63	47.8 Å²	47.8	65%	0.649	24%	0.24	S	C	*	.			trans	73.3	10	168.9	0	0	0	0	0	117.1	I201 K202	I201-G205 PolarHBondContact O-N 2.87Å; K202-G205 PolarHBondContact O-N 3.4Å
206	D	92.8	Very high	93.5	Very high	62 Å²	62	47.1 Å²	47.1	33%	0.332	23%	0.232	S	C	.	.	S	Bend	trans	-103.1	-4.6	-178.9	65.4	-15.7	0	0	0	114.3	S143 K152 R204	S143-D206 PolarHBondContact OG-OD2 3.03Å; S143-D206 VanDerWaalsContact OG-OD2 3.07Å; K152-D206 VanDerWaalsContact CE-CG 3.41Å; K152-D206 WeakPolarHBondContact CE-O 3.32Å; K152-D206 VanDerWaalsContact CE-OD2 3.22Å; K152-D206 WeakPolarHBondContact CE-OD2 3.41Å; K152-D206 IonicContact NZ-OD2 3.07Å; K152-D206 PolarHBondContact NZ-OD2 3.39Å; R204-D206 VanDerWaalsContact C-N 3.33Å; R204-D206 WeakPolarHBondContact CD-OD1 3.14Å; R204-D206 WeakPolarHBondContact CG-OD1 3.45Å; R204-D206 IonicContact CZ-OD2 3.97Å; R204-D206 IonicContact NE-OD1 2.7Å; R204-D206 PolarHBondContact NE-OD1 3.45Å; R204-D206 VanDerWaalsContact NE-OD1 3.09Å; R204-D206 IonicContact NE-OD2 3.57Å; R204-D206 PolarHBondContact NE-OD2 3.44Å; R204-D206 VanDerWaalsContact NE-OD2 3.08Å; R204-D206 IonicContact NH2-OD2 2.73Å; R204-D206 PolarHBondContact O-N 3.3Å
207	F	93.6	Very high	93.3	Very high	14 Å²	14	46.3 Å²	46.3	6%	0.061	23%	0.228	C	C	.	.			trans	-152.5	163	170.9	68.3	-93.3	0	0	0	111.9	M142 L146 K152 I201 M209	M142-F207 HydrophobicContact CB-CE1 4.33Å; M142-F207 HydrophobicContact CB-CE2 4.4Å; M142-F207 HydrophobicContact CB-CZ 3.74Å; M142-F207 HydrophobicContact CE-CE2 3.88Å; M142-F207 HydrophobicContact CE-CZ 4.19Å; M142-F207 HydrophobicContact SD-CZ 4.34Å; L146-F207 HydrophobicContact CD1-CB 4.09Å; L146-F207 HydrophobicContact CD1-CD1 4.04Å; L146-F207 HydrophobicContact CD1-CD2 3.69Å; L146-F207 HydrophobicContact CD1-CE1 4.4Å; L146-F207 HydrophobicContact CD1-CE2 4.08Å; L146-F207 HydrophobicContact CD1-CG 3.68Å; L146-F207 HydrophobicContact CD1-CZ 4.43Å; K152-F207 HydrophobicContact CG-CB 3.76Å; I201-F207 HydrophobicContact CB-CE2 4.37Å; I201-F207 HydrophobicContact CB-CZ 4.5Å; I201-F207 HydrophobicContact CD1-CE2 4.08Å; I201-F207 HydrophobicContact CG1-CE2 3.88Å; I201-F207 HydrophobicContact CG1-CZ 3.91Å; I201-F207 HydrophobicContact CG2-CD2 4.02Å; I201-F207 HydrophobicContact CG2-CE2 3.65Å; I201-F207 HydrophobicContact CG2-CZ 4.11Å; F207-M209 HydrophobicContact CD2-CE 3.95Å; F207-M209 HydrophobicContact CD2-CG 3.76Å; F207-M209 HydrophobicContact CE2-CG 3.71Å
208	E	90.2	Very high	93.3	Very high	124 Å²	124	46.3 Å²	46.3	58%	0.579	23%	0.228	S	C	*	.			trans	-119.3	143.8	173.2	-70.5	-170.6	-161.1	0	0	110.8	K155	K155-E208 HydrophobicContact CD-CB 4.44Å; K155-E208 HydrophobicContact CG-CB 4.47Å; K155-E208 IonicContact NZ-OE2 3.14Å; K155-E208 PolarHBondContact NZ-OE2 3.11Å
209	M	86.4	Confident	93.3	Very high	24 Å²	24	42 Å²	42	12%	0.118	21%	0.212	C	C	.	.			trans	-135.7	156.9	173.3	-70.2	-59.4	148.9	0	0	111.7	L87 M142 L146 L156 I201 F207	L87-M209 HydrophobicContact CD1-CE 3.64Å; L87-M209 HydrophobicContact CD1-SD 3.35Å; L87-M209 WeakPolarHBondContact CD1-SD 3.32Å; M142-M209 HydrophobicContact CE-CG 3.94Å; L146-M209 HydrophobicContact CD1-CE 3.51Å; L146-M209 HydrophobicContact CD2-CE 3.76Å; L146-M209 HydrophobicContact CG-CE 4.29Å; L156-M209 HydrophobicContact CB-SD 4.39Å; I201-M209 HydrophobicContact CD1-CB 4.26Å; F207-M209 HydrophobicContact CD2-CE 3.95Å; F207-M209 HydrophobicContact CD2-CG 3.76Å; F207-M209 HydrophobicContact CE2-CG 3.71Å
210	D	89.1	Confident	93.2	Very high	77 Å²	77	38 Å²	38	41%	0.412	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	100.2	173.6	-168	16	0	0	0	109.5	L156 P157 L158 V212	L156-D210 PolarHBondContact O-N 3.03Å; P157-D210 CarbonylContact C-O 3.55Å; P157-D210 WeakPolarHBondContact CA-O 3.17Å; L158-D210 PolarHBondContact N-O 3.13Å; D210-V212 HydrophobicContact CB-CG1 4.4Å; D210-V212 PolarHBondContact O-N 3.23Å
211	V	91.7	Very high	93.1	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	105.3	177.2	-166.6	0	0	0	0	107.9	L158 F160 V194 L197 R198	L158-V211 HydrophobicContact CD2-CG1 4.44Å; L158-V211 HydrophobicContact CD2-CG2 3.85Å; F160-V211 HydrophobicContact CB-CG1 4.49Å; V194-V211 HydrophobicContact CG1-CB 3.82Å; V194-V211 HydrophobicContact CG1-CG1 3.71Å; V194-V211 HydrophobicContact CG1-CG2 4.32Å; V194-V211 HydrophobicContact CG2-CG1 4.22Å; L197-V211 HydrophobicContact CD2-CG2 4.25Å; R198-V211 HydrophobicContact CG-CG2 4.28Å; R198-V211 PolarHBondContact NH2-O 3.39Å
212	V	92.4	Very high	93.1	Very high	24 Å²	24	37.4 Å²	37.4	15%	0.145	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-21.1	-173	-62.8	0	0	0	0	113	P157 L158 D210 S465	P157-V212 HydrophobicContact CB-CG1 4.05Å; P157-V212 HydrophobicContact CB-CG2 3.96Å; L158-V212 PolarHBondContact O-N 2.9Å; D210-V212 HydrophobicContact CB-CG1 4.4Å; D210-V212 PolarHBondContact O-N 3.23Å; V212-S465 VanDerWaalsContact CG2-CB 3.45Å
213	A	91.9	Very high	92.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	145	177.6	0	0	0	0	0	110.8	G159 F160 L171 I464	G159-A213 CarbonylContact C-O 3.48Å; G159-A213 WeakPolarHBondContact CA-O 3.13Å; F160-A213 PolarHBondContact N-O 3.1Å; L171-A213 HydrophobicContact CD1-CB 4.31Å; L171-A213 HydrophobicContact CD2-CB 4.11Å; L171-A213 HydrophobicContact CG-CB 3.88Å; L171-A213 CarbonylContact O-C 3.59Å; L171-A213 WeakPolarHBondContact O-CA 3.22Å; A213-I464 HydrophobicContact CB-CG2 4.01Å
214	M	93.2	Very high	92.6	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.4	165.3	-167.3	-160.9	71.9	0	0	108	F160 F162 V166 H168 L171 V193 V194	F160-M214 HydrophobicContact CB-CB 4.43Å; F160-M214 HydrophobicContact CB-CG 4.1Å; F160-M214 HydrophobicContact CD1-CG 4.22Å; F160-M214 HydrophobicContact CG-CG 4.27Å; F160-M214 CarbonylContact O-C 3.44Å; F160-M214 VanDerWaalsContact O-CA 3.23Å; F160-M214 WeakPolarHBondContact O-CA 3.48Å; F160-M214 VanDerWaalsContact O-CG 3.32Å; F160-M214 WeakPolarHBondContact O-CG 3.28Å; F162-M214 HydrophobicContact CB-CG 4.19Å; F162-M214 HydrophobicContact CB-SD 4.28Å; V166-M214 HydrophobicContact CB-CE 4.05Å; V166-M214 HydrophobicContact CG1-CE 3.45Å; V166-M214 VanDerWaalsContact CG1-CE 3.45Å; V166-M214 HydrophobicContact CG2-CE 4.1Å; H168-M214 WeakPolarHBondContact CE1-CE 3.37Å; H168-M214 PolarHBondContact CE1-O 2.77Å; L171-M214 PolarHBondContact O-N 2.99Å; V193-M214 HydrophobicContact CB-SD 3.91Å; V193-M214 HydrophobicContact CG1-SD 3.87Å; V194-M214 HydrophobicContact CG2-CB 3.76Å; V194-M214 HydrophobicContact CG2-CG 4.12Å; V194-M214 HydrophobicContact CG2-SD 3.93Å
215	V	92.4	Very high	92.5	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.018	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.5	-173	-63.7	0	0	0	0	111.6	V74 F160 T161 F162 A220 A461 I464	V74-V215 HydrophobicContact CG2-CG1 4.43Å; F160-V215 PolarHBondContact O-N 2.99Å; T161-V215 CarbonylContact C-O 3.07Å; T161-V215 VanDerWaalsContact CA-O 3.3Å; T161-V215 WeakPolarHBondContact CA-O 3.18Å; F162-V215 PolarHBondContact N-O 3.3Å; V215-A220 HydrophobicContact CG2-CB 4.07Å; V215-A461 HydrophobicContact CG2-CB 3.88Å; V215-I464 HydrophobicContact CB-CD1 4.24Å; V215-I464 HydrophobicContact CG1-CD1 3.71Å; V215-I464 HydrophobicContact CG1-CG2 3.97Å; V215-I464 HydrophobicContact CG2-CD1 4.19Å
216	N	92.8	Very high	92.3	Very high	5 Å²	5	18.2 Å²	18.2	3%	0.027	9%	0.091	C	C	.	.			trans	-76.2	154.9	168.6	-170.5	-92.6	0	0	0	110.4	T218 V219 A220 N243 N266 E268	N216-T218 VanDerWaalsContact C-N 3.31Å; N216-T218 PolarHBondContact O-N 3.01Å; N216-T218 WeakPolarHBondContact OD1-CB 3.47Å; N216-T218 WeakPolarHBondContact OD1-CG2 3.05Å; N216-T218 PolarHBondContact OD1-N 2.93Å; N216-T218 VanDerWaalsContact OD1-N 3.1Å; N216-T218 PolarHBondContact OD1-OG1 3.01Å; N216-V219 HydrophobicContact CB-CG2 4.09Å; N216-V219 PolarHBondContact O-N 3.09Å; N216-A220 PolarHBondContact O-N 2.94Å; N216-N243 PolarHBondContact OD1-ND2 2.84Å; N216-N266 PolarHBondContact ND2-ND2 3.43Å; N216-E268 PolarHBondContact ND2-OE1 2.62Å
217	D	92.4	Very high	91.8	Very high	14 Å²	14	16.9 Å²	16.9	8%	0.075	8%	0.082	C	C	.	.	H	α-helix	trans	-64.5	-32.6	178.7	52.2	1.2	0	0	0	113.7	T161 S163 K181 T221 I237	T161-D217 VanDerWaalsContact CG2-CA 3.49Å; T161-D217 HydrophobicContact CG2-CB 3.78Å; S163-D217 WeakPolarHBondContact CB-OD2 3.43Å; S163-D217 WeakPolarHBondContact OG-CB 3.39Å; S163-D217 PolarHBondContact OG-OD2 3.13Å; K181-D217 IonicContact NZ-OD2 3.56Å; D217-T221 VanDerWaalsContact O-CB 3.24Å; D217-T221 WeakPolarHBondContact O-CB 3.43Å; D217-T221 PolarHBondContact O-N 2.9Å; D217-T221 PolarHBondContact O-OG1 2.98Å; D217-I237 HydrophobicContact CB-CD1 4.31Å; D217-I237 HydrophobicContact CB-CG1 4.3Å
218	T	95.1	Very high	91.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.7	-48.2	171.8	56.3	0	0	0	0	111.4	N216 T221 M222 I237 N243 C245	N216-T218 VanDerWaalsContact C-N 3.31Å; N216-T218 PolarHBondContact O-N 3.01Å; N216-T218 WeakPolarHBondContact OD1-CB 3.47Å; N216-T218 WeakPolarHBondContact OD1-CG2 3.05Å; N216-T218 PolarHBondContact OD1-N 2.93Å; N216-T218 VanDerWaalsContact OD1-N 3.1Å; N216-T218 PolarHBondContact OD1-OG1 3.01Å; T218-T221 WeakPolarHBondContact O-CB 3.35Å; T218-T221 PolarHBondContact O-N 3.24Å; T218-M222 PolarHBondContact O-N 2.63Å; T218-I237 HydrophobicContact CG2-CB 4.3Å; T218-I237 HydrophobicContact CG2-CG1 3.71Å; T218-N243 HydrophobicContact CG2-CB 3.64Å; T218-C245 PolarHBondContact O-SG 3.37Å; T218-C245 VanDerWaalsContact O-SG 3.35Å; T218-C245 WeakPolarHBondContact OG1-CB 3.32Å
219	V	95	Very high	91.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.8	-47.3	-179.3	-179	0	0	0	0	110.2	T72 V74 N216 T221 M222 I223 C245 I464	T72-V219 HydrophobicContact CG2-CG2 3.75Å; V74-V219 HydrophobicContact CB-CG1 4.43Å; V74-V219 HydrophobicContact CG2-CG1 4Å; N216-V219 HydrophobicContact CB-CG2 4.09Å; N216-V219 PolarHBondContact O-N 3.09Å; V219-T221 VanDerWaalsContact C-N 3.31Å; V219-T221 PolarHBondContact O-N 2.73Å; V219-M222 WeakPolarHBondContact O-CB 3.47Å; V219-M222 PolarHBondContact O-N 3.17Å; V219-I223 WeakPolarHBondContact O-CG1 3.4Å; V219-I223 PolarHBondContact O-N 2.81Å; V219-C245 WeakPolarHBondContact CA-SG 3.35Å; V219-C245 HydrophobicContact CG2-CB 3.98Å; V219-C245 PolarHBondContact N-SG 3.29Å; V219-C245 VanDerWaalsContact N-SG 3.39Å; V219-I464 HydrophobicContact CG1-CD1 3.99Å
220	A	93.9	Very high	91.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.7	-42	175.3	0	0	0	0	0	111.7	T161 V215 N216 M222 I223 S224 G456 S457 G460	T161-A220 HydrophobicContact CG2-CB 4.38Å; V215-A220 HydrophobicContact CG2-CB 4.07Å; N216-A220 PolarHBondContact O-N 2.94Å; A220-M222 PolarHBondContact O-N 3.34Å; A220-I223 PolarHBondContact O-N 3.43Å; A220-S224 WeakPolarHBondContact O-CB 3.34Å; A220-S224 PolarHBondContact O-N 3.23Å; A220-G456 CarbonylContact C-O 3.49Å; A220-S457 WeakPolarHBondContact CB-O 3.47Å; A220-G460 VanDerWaalsContact O-CA 3.22Å; A220-G460 WeakPolarHBondContact O-CA 3.49Å
221	T	94.7	Very high	91.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.8	-43.9	177.1	-62	0	0	0	0	111.5	D217 T218 V219 I223 S224 C225 I237 D421	D217-T221 VanDerWaalsContact O-CB 3.24Å; D217-T221 WeakPolarHBondContact O-CB 3.43Å; D217-T221 PolarHBondContact O-N 2.9Å; D217-T221 PolarHBondContact O-OG1 2.98Å; T218-T221 WeakPolarHBondContact O-CB 3.35Å; T218-T221 PolarHBondContact O-N 3.24Å; V219-T221 VanDerWaalsContact C-N 3.31Å; V219-T221 PolarHBondContact O-N 2.73Å; T221-I223 PolarHBondContact O-N 3.12Å; T221-S224 PolarHBondContact O-N 3.09Å; T221-C225 PolarHBondContact O-N 3.43Å; T221-I237 HydrophobicContact CG2-CD1 4.49Å; T221-I237 WeakPolarHBondContact OG1-CD1 3.43Å; T221-D421 HydrophobicContact CG2-CB 3.95Å
222	M	95.6	Very high	91.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-56.1	-51	173.8	-170.4	-178.8	70.2	0	0	111.2	T218 V219 A220 S224 C225 Y226 M247 C264	T218-M222 PolarHBondContact O-N 2.63Å; V219-M222 WeakPolarHBondContact O-CB 3.47Å; V219-M222 PolarHBondContact O-N 3.17Å; A220-M222 PolarHBondContact O-N 3.34Å; M222-S224 PolarHBondContact O-N 2.78Å; M222-C225 PolarHBondContact O-N 3.28Å; M222-Y226 WeakPolarHBondContact O-CB 3.36Å; M222-Y226 PolarHBondContact O-N 3.06Å; M222-M247 HydrophobicContact CE-CG 4.1Å; M222-M247 HydrophobicContact CE-SD 3.72Å; M222-M247 HydrophobicContact SD-CG 4.21Å; M222-C264 HydrophobicContact CE-CB 3.94Å; M222-C264 WeakPolarHBondContact CE-SG 3.45Å
223	I	92.3	Very high	92	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-67.3	-36.8	-178.1	-63.3	-55.8	0	0	0	111.9	V74 T77 P78 V219 A220 T221 C225 Y226 Y227 L463 I464	V74-I223 HydrophobicContact CG1-CD1 4.44Å; T77-I223 HydrophobicContact CG2-CD1 4.04Å; P78-I223 HydrophobicContact CG-CG2 3.59Å; V219-I223 WeakPolarHBondContact O-CG1 3.4Å; V219-I223 PolarHBondContact O-N 2.81Å; A220-I223 PolarHBondContact O-N 3.43Å; T221-I223 PolarHBondContact O-N 3.12Å; I223-C225 VanDerWaalsContact C-N 3.34Å; I223-Y226 WeakPolarHBondContact O-CB 3.37Å; I223-Y226 PolarHBondContact O-N 3.41Å; I223-Y227 PolarHBondContact O-N 3.35Å; I223-L463 HydrophobicContact CG2-CB 3.88Å; I223-L463 HydrophobicContact CG2-CD1 4.4Å; I223-I464 HydrophobicContact CB-CD1 4.15Å; I223-I464 HydrophobicContact CB-CG1 4.08Å; I223-I464 HydrophobicContact CG1-CD1 3.73Å; I223-I464 HydrophobicContact CG1-CG1 3.79Å; I223-I464 HydrophobicContact CG2-CG1 3.91Å
224	S	90.7	Very high	92.3	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.014	9%	0.086	C	C	.	.	H	α-helix	trans	-64	-39.5	174.2	-177.9	0	0	0	0	112.1	A220 T221 M222 Y227 G456 R459	A220-S224 WeakPolarHBondContact O-CB 3.34Å; A220-S224 PolarHBondContact O-N 3.23Å; T221-S224 PolarHBondContact O-N 3.09Å; M222-S224 PolarHBondContact O-N 2.78Å; S224-Y227 WeakPolarHBondContact O-CB 3.35Å; S224-G456 VanDerWaalsContact CB-O 3.3Å; S224-G456 WeakPolarHBondContact CB-O 3.43Å; S224-R459 WeakPolarHBondContact OG-CD 3.23Å
225	C	92.1	Very high	92.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-76.5	-28.7	176.4	-72.4	0	0	0	0	112	T221 M222 I223 Y227 E228 D229 C232 G419 L451	T221-C225 PolarHBondContact O-N 3.43Å; M222-C225 PolarHBondContact O-N 3.28Å; I223-C225 VanDerWaalsContact C-N 3.34Å; C225-Y227 PolarHBondContact O-N 2.91Å; C225-E228 PolarHBondContact O-N 3.4Å; C225-D229 PolarHBondContact O-N 3.35Å; C225-C232 HydrophobicContact CB-CB 4.33Å; C225-C232 WeakPolarHBondContact CB-SG 3.07Å; C225-G419 WeakPolarHBondContact SG-CA 3.18Å; C225-L451 HydrophobicContact CB-CB 4.46Å
226	Y	89.7	Confident	92.7	Very high	29 Å²	29	18.3 Å²	18.3	11%	0.114	9%	0.085	C	C	.	.	H	α-helix	trans	-60.2	-31.3	173.1	-174.3	-86.3	0	0	0	112.9	T77 P78 M222 I223 E228 D229 R230 C232	T77-Y226 HydrophobicContact CG2-CD1 4.29Å; T77-Y226 HydrophobicContact CG2-CD2 3.72Å; T77-Y226 HydrophobicContact CG2-CE1 4.26Å; T77-Y226 HydrophobicContact CG2-CE2 3.67Å; T77-Y226 HydrophobicContact CG2-CG 4.04Å; T77-Y226 WeakPolarHBondContact OG1-CE1 3.22Å; T77-Y226 WeakPolarHBondContact OG1-CE2 3.4Å; T77-Y226 PolarHBondContact OG1-OH 3.41Å; P78-Y226 WeakPolarHBondContact O-CE1 3.48Å; M222-Y226 WeakPolarHBondContact O-CB 3.36Å; M222-Y226 PolarHBondContact O-N 3.06Å; I223-Y226 WeakPolarHBondContact O-CB 3.37Å; I223-Y226 PolarHBondContact O-N 3.41Å; Y226-E228 PolarHBondContact O-N 2.91Å; Y226-D229 WeakPolarHBondContact CA-O 3.29Å; Y226-D229 CarbonylContact O-C 3.42Å; Y226-R230 HydrophobicContact CE2-CB 4.33Å; Y226-R230 WeakPolarHBondContact CE2-O 3.22Å; Y226-R230 VanDerWaalsContact CZ-CD 3.5Å; Y226-C232 HydrophobicContact CD2-CB 4.45Å; Y226-C232 WeakPolarHBondContact CD2-O 3.47Å
227	Y	82.4	Confident	92.8	Very high	34 Å²	34	18.9 Å²	18.9	13%	0.133	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-41.2	169.6	174.3	-80.8	0	0	0	112.2	F111 V113 I223 S224 C225 L463	F111-Y227 HydrophobicContact CD1-CE2 4.38Å; F111-Y227 AromaticContact CD2-CD2 3.98Å; F111-Y227 HydrophobicContact CD2-CD2 3.98Å; F111-Y227 AromaticContact CD2-CE2 3.47Å; F111-Y227 HydrophobicContact CD2-CE2 3.47Å; F111-Y227 VanDerWaalsContact CD2-CE2 3.47Å; F111-Y227 HydrophobicContact CE1-CD2 4.03Å; F111-Y227 HydrophobicContact CE1-CE2 4.09Å; F111-Y227 AromaticContact CE2-CD2 3.18Å; F111-Y227 HydrophobicContact CE2-CD2 3.18Å; F111-Y227 AromaticContact CE2-CE2 3.19Å; F111-Y227 HydrophobicContact CE2-CE2 3.19Å; F111-Y227 HydrophobicContact CG-CE2 4.12Å; F111-Y227 AromaticContact CZ-CD2 3.23Å; F111-Y227 HydrophobicContact CZ-CD2 3.23Å; F111-Y227 AromaticContact CZ-CE2 3.56Å; F111-Y227 HydrophobicContact CZ-CE2 3.56Å; F111-Y227 HydrophobicContact CZ-CG 4.4Å; F111-Y227 PolarHBondContact O-OH 3.2Å; V113-Y227 HydrophobicContact CG2-CD2 4.06Å; V113-Y227 HydrophobicContact CG2-CE2 3.52Å; I223-Y227 PolarHBondContact O-N 3.35Å; S224-Y227 WeakPolarHBondContact O-CB 3.35Å; C225-Y227 PolarHBondContact O-N 2.91Å; Y227-L463 HydrophobicContact CD2-CD1 4.48Å
228	E	84	Confident	93	Very high	108 Å²	108	18.2 Å²	18.2	51%	0.505	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-35	-173.8	-61.9	-178.6	-165.7	0	0	111.6	C225 Y226 L451 R459	C225-E228 PolarHBondContact O-N 3.4Å; Y226-E228 PolarHBondContact O-N 2.91Å; E228-L451 HydrophobicContact CB-CD1 4.32Å; E228-R459 IonicContact OE1-NH1 2.69Å; E228-R459 PolarHBondContact OE1-NH1 2.82Å; E228-R459 VanDerWaalsContact OE1-NH1 3.07Å
229	D	89.7	Confident	92.9	Very high	39 Å²	39	18.3 Å²	18.3	21%	0.209	9%	0.086	C	C	.	.			trans	-141.7	115	176.2	-177	-7.7	0	0	0	111	C225 Y226 S231 C232 T417 L451	C225-D229 PolarHBondContact O-N 3.35Å; Y226-D229 WeakPolarHBondContact CA-O 3.29Å; Y226-D229 CarbonylContact O-C 3.42Å; D229-S231 PolarHBondContact O-N 2.79Å; D229-S231 VanDerWaalsContact OD1-CB 3.24Å; D229-S231 WeakPolarHBondContact OD1-CB 3.16Å; D229-S231 PolarHBondContact OD1-N 2.9Å; D229-S231 PolarHBondContact OD1-OG 3.35Å; D229-C232 WeakPolarHBondContact O-CB 3.5Å; D229-C232 PolarHBondContact O-N 2.71Å; D229-T417 HydrophobicContact CB-CG2 4.2Å; D229-T417 WeakPolarHBondContact OD2-CB 3.39Å; D229-T417 PolarHBondContact OD2-OG1 2.95Å; D229-L451 HydrophobicContact CB-CD1 3.54Å
230	R	89.6	Confident	92.6	Very high	100 Å²	100	21.6 Å²	21.6	38%	0.377	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-6.8	179.8	-59.6	-62.9	-169.4	133.8	-5	114	P78 E79 Y226 C232	P78-R230 PolarHBondContact O-NH1 3.35Å; E79-R230 PolarHBondContact O-NH2 3.3Å; Y226-R230 HydrophobicContact CE2-CB 4.33Å; Y226-R230 WeakPolarHBondContact CE2-O 3.22Å; Y226-R230 VanDerWaalsContact CZ-CD 3.5Å; R230-C232 VanDerWaalsContact C-N 3.3Å
231	S	92.8	Very high	92.5	Very high	34 Å²	34	21.9 Å²	21.9	24%	0.238	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-0.4	172.6	-34.5	0	0	0	0	112.5	D229 E233 T417	D229-S231 PolarHBondContact O-N 2.79Å; D229-S231 VanDerWaalsContact OD1-CB 3.24Å; D229-S231 WeakPolarHBondContact OD1-CB 3.16Å; D229-S231 PolarHBondContact OD1-N 2.9Å; D229-S231 PolarHBondContact OD1-OG 3.35Å; S231-E233 PolarHBondContact O-N 2.95Å; S231-T417 PolarHBondContact O-N 3.23Å
232	C	95.1	Very high	92.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	99.6	-175.3	-171.7	0	0	0	0	112.5	C225 Y226 D229 R230 T417	C225-C232 HydrophobicContact CB-CB 4.33Å; C225-C232 WeakPolarHBondContact CB-SG 3.07Å; Y226-C232 HydrophobicContact CD2-CB 4.45Å; Y226-C232 WeakPolarHBondContact CD2-O 3.47Å; D229-C232 WeakPolarHBondContact O-CB 3.5Å; D229-C232 PolarHBondContact O-N 2.71Å; R230-C232 VanDerWaalsContact C-N 3.3Å; C232-T417 VanDerWaalsContact CA-O 3.32Å; C232-T417 WeakPolarHBondContact CA-O 3.24Å; C232-T417 HydrophobicContact CB-CG2 3.99Å
233	E	96.1	Very high	92.5	Very high	19 Å²	19	22.3 Å²	22.3	9%	0.089	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	10.5	-176.5	-63.1	-173.7	122.5	0	0	113	S231 Y246 M247 R262 M405 R409 I416 T417	S231-E233 PolarHBondContact O-N 2.95Å; E233-Y246 CarbonylContact O-C 3.59Å; E233-Y246 WeakPolarHBondContact O-CA 3.22Å; E233-Y246 WeakPolarHBondContact O-CB 3.43Å; E233-M247 HydrophobicContact CB-CB 4.24Å; E233-M247 HydrophobicContact CB-CG 4.17Å; E233-M247 HydrophobicContact CG-CG 4.36Å; E233-M247 PolarHBondContact O-N 3.31Å; E233-R262 IonicContact OE1-CZ 3.54Å; E233-R262 IonicContact OE1-NH1 3.88Å; E233-R262 PolarHBondContact OE1-NH1 2.77Å; E233-R262 IonicContact OE1-NH2 3.79Å; E233-M405 HydrophobicContact CB-CE 3.96Å; E233-R409 VanDerWaalsContact CD-NH2 3.27Å; E233-R409 IonicContact OE1-NH2 3.22Å; E233-R409 PolarHBondContact OE1-NH2 3.12Å; E233-R409 IonicContact OE2-CZ 3.1Å; E233-R409 IonicContact OE2-NH1 3.43Å; E233-R409 PolarHBondContact OE2-NH1 2.93Å; E233-R409 IonicContact OE2-NH2 3.57Å; E233-R409 PolarHBondContact OE2-NH2 2.87Å; E233-I416 HydrophobicContact CB-CD1 4.38Å; E233-I416 HydrophobicContact CB-CG1 4.46Å; E233-T417 PolarHBondContact N-O 2.88Å
234	V	97.9	Very high	92.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.5	171.5	-175.1	0	0	0	0	108.9	C245 L398 M405 I416 V418 G419	V234-C245 WeakPolarHBondContact CA-O 3.07Å; V234-C245 WeakPolarHBondContact CG1-O 3.44Å; V234-L398 HydrophobicContact CG1-CD1 3.83Å; V234-M405 HydrophobicContact CG2-CE 4.32Å; V234-M405 HydrophobicContact CG2-SD 3.69Å; V234-I416 HydrophobicContact CG2-CD1 3.7Å; V234-I416 HydrophobicContact CG2-CG1 4.4Å; V234-V418 HydrophobicContact CB-CB 4.4Å; V234-V418 HydrophobicContact CB-CG1 4.12Å; V234-V418 HydrophobicContact CB-CG2 4.12Å; V234-V418 HydrophobicContact CG1-CG1 3.94Å; V234-V418 HydrophobicContact CG2-CG2 4.48Å; V234-G419 PolarHBondContact O-N 2.92Å
235	G	97.7	Very high	93.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.6	169.4	0	0	0	0	0	110.1	A244 C245 G419	G235-A244 CarbonylContact O-C 3.59Å; G235-A244 VanDerWaalsContact O-CA 3.23Å; G235-A244 WeakPolarHBondContact O-CA 3.41Å; G235-C245 PolarHBondContact N-O 3.42Å; G235-C245 PolarHBondContact O-N 3.18Å; G235-G419 CarbonylContact C-O 3.54Å; G235-G419 WeakPolarHBondContact CA-O 3.4Å
236	M	97.4	Very high	93.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	140.3	-175.2	-174.5	174	173.3	0	0	111.6	V238 N243 A244 W269 C394 L398 V418 G419 V420 D421 F435	M236-V238 HydrophobicContact CE-CG2 3.35Å; M236-V238 HydrophobicContact CG-CG2 4.14Å; M236-V238 HydrophobicContact SD-CG2 4.36Å; M236-N243 WeakPolarHBondContact CA-O 3.33Å; M236-A244 HydrophobicContact CG-CB 4.45Å; M236-W269 HydrophobicContact CE-CH2 3.82Å; M236-W269 HydrophobicContact CE-CZ2 3.68Å; M236-W269 HydrophobicContact CG-CH2 4.41Å; M236-W269 HydrophobicContact CG-CZ2 4.18Å; M236-W269 HydrophobicContact SD-CH2 4Å; M236-W269 HydrophobicContact SD-CZ2 4.2Å; M236-C394 WeakPolarHBondContact CE-SG 3.39Å; M236-L398 HydrophobicContact SD-CB 4.47Å; M236-L398 HydrophobicContact SD-CD1 4.46Å; M236-L398 HydrophobicContact SD-CD2 4.09Å; M236-V418 HydrophobicContact CB-CG1 4.38Å; M236-G419 PolarHBondContact N-O 3.35Å; M236-V420 HydrophobicContact CB-CG1 4.45Å; M236-V420 HydrophobicContact CB-CG2 4.41Å; M236-V420 WeakPolarHBondContact O-CA 3.49Å; M236-D421 PolarHBondContact O-N 3.21Å; M236-F435 HydrophobicContact CE-CE2 3.73Å; M236-F435 HydrophobicContact CE-CZ 3.71Å; M236-F435 HydrophobicContact SD-CE2 4.23Å; M236-F435 HydrophobicContact SD-CZ 3.66Å
237	I	95.3	Very high	93.8	Very high	16 Å²	16	21 Å²	21	8%	0.082	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.5	174.9	-58.5	-62.6	0	0	0	108.7	D217 T218 T221 C242 N243 D421	D217-I237 HydrophobicContact CB-CD1 4.31Å; D217-I237 HydrophobicContact CB-CG1 4.3Å; T218-I237 HydrophobicContact CG2-CB 4.3Å; T218-I237 HydrophobicContact CG2-CG1 3.71Å; T221-I237 HydrophobicContact CG2-CD1 4.49Å; T221-I237 WeakPolarHBondContact OG1-CD1 3.43Å; I237-C242 VanDerWaalsContact O-CA 3.27Å; I237-C242 WeakPolarHBondContact O-CA 3.4Å; I237-N243 PolarHBondContact N-O 2.92Å; I237-N243 PolarHBondContact O-N 2.77Å; I237-D421 CarbonylContact C-O 3.58Å; I237-D421 WeakPolarHBondContact CA-O 3.48Å; I237-D421 HydrophobicContact CD1-CB 3.72Å
238	V	96.1	Very high	94.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	84.7	169.8	-163.8	0	0	0	0	109.4	M236 I305 D421 G422 S423 V424 Y425 F431	M236-V238 HydrophobicContact CE-CG2 3.35Å; M236-V238 HydrophobicContact CG-CG2 4.14Å; M236-V238 HydrophobicContact SD-CG2 4.36Å; V238-I305 HydrophobicContact CG1-CG2 4.16Å; V238-D421 PolarHBondContact N-O 3.09Å; V238-G422 CarbonylContact O-C 3.59Å; V238-G422 WeakPolarHBondContact O-CA 3.43Å; V238-S423 PolarHBondContact O-N 3.42Å; V238-V424 HydrophobicContact CG1-CB 4.09Å; V238-V424 HydrophobicContact CG1-CG1 4.22Å; V238-V424 WeakPolarHBondContact O-CB 3.26Å; V238-V424 PolarHBondContact O-N 3.26Å; V238-V424 VanDerWaalsContact O-N 3.11Å; V238-Y425 PolarHBondContact O-N 3.03Å; V238-F431 HydrophobicContact CG1-CE1 3.85Å; V238-F431 HydrophobicContact CG1-CE2 4.48Å; V238-F431 HydrophobicContact CG1-CZ 3.68Å
239	G	92.6	Very high	95	Very high	3 Å²	3	16 Å²	16	3%	0.031	8%	0.083	C	C	.	.	S	Bend	trans	-138.6	-126.7	-175.1	0	0	0	0	0	111	G241 G307	G239-G241 VanDerWaalsContact C-N 3.25Å; G239-G241 CarbonylContact C-O 3.54Å; G239-G241 PolarHBondContact N-O 3.26Å; G239-G241 PolarHBondContact O-N 3.44Å; G239-G307 WeakPolarHBondContact O-CA 3.35Å; G239-G307 PolarHBondContact O-N 2.61Å
240	T	89.1	Confident	95.3	Very high	69 Å²	69	14.9 Å²	14.9	42%	0.423	8%	0.077	S	C	.	.	S	Bend	trans	-59.6	-38.8	172.1	-55.4	0	0	0	0	111.6	S306 K308	T240-S306 WeakPolarHBondContact O-CB 3.47Å; T240-S306 PolarHBondContact O-OG 3.35Å; T240-K308 HydrophobicContact CG2-CB 4.06Å; T240-K308 HydrophobicContact CG2-CD 4.37Å; T240-K308 WeakPolarHBondContact O-CB 3.44Å; T240-K308 PolarHBondContact O-N 2.69Å
241	G	91.5	Very high	95.5	Very high	5 Å²	5	17.6 Å²	17.6	5%	0.052	9%	0.087	C	C	.	.	S	Bend	trans	-114.7	-176.9	168.2	0	0	0	0	0	111.6	G239 E302	G239-G241 VanDerWaalsContact C-N 3.25Å; G239-G241 CarbonylContact C-O 3.54Å; G239-G241 PolarHBondContact N-O 3.26Å; G239-G241 PolarHBondContact O-N 3.44Å; G241-E302 WeakPolarHBondContact CA-OE2 3.24Å
242	C	94.4	Very high	95.6	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.014	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121.2	175.2	-174.3	0	0	0	0	110.1	I237 W269 E302 I305	I237-C242 VanDerWaalsContact O-CA 3.27Å; I237-C242 WeakPolarHBondContact O-CA 3.4Å; C242-W269 PolarHBondContact O-NE1 2.84Å; C242-W269 PolarHBondContact SG-NE1 3.26Å; C242-E302 HydrophobicContact CB-CG 4.38Å; C242-E302 PolarHBondContact N-OE2 2.95Å; C242-I305 HydrophobicContact CB-CB 4.35Å; C242-I305 HydrophobicContact CB-CG2 4.05Å
243	N	96.8	Very high	95.7	Very high	8 Å²	8	16.7 Å²	16.7	4%	0.043	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	161.7	178.7	-163.7	23.9	0	0	0	111.8	N216 T218 M236 I237 N266 T267 E268 W269	N216-N243 PolarHBondContact OD1-ND2 2.84Å; T218-N243 HydrophobicContact CG2-CB 3.64Å; M236-N243 WeakPolarHBondContact CA-O 3.33Å; I237-N243 PolarHBondContact N-O 2.92Å; I237-N243 PolarHBondContact O-N 2.77Å; N243-N266 PolarHBondContact ND2-OD1 3.47Å; N243-T267 PolarHBondContact OD1-OG1 3.46Å; N243-E268 PolarHBondContact ND2-OE1 2.79Å; N243-E268 VanDerWaalsContact OD1-CA 3.24Å; N243-E268 WeakPolarHBondContact OD1-CA 3.35Å; N243-E268 PolarHBondContact OD1-N 2.89Å; N243-E268 VanDerWaalsContact OD1-N 3.16Å; N243-W269 PolarHBondContact OD1-N 2.83Å
244	A	98.3	Very high	95.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	158.4	171.2	0	0	0	0	0	112.7	G235 M236 T267 W269	G235-A244 CarbonylContact O-C 3.59Å; G235-A244 VanDerWaalsContact O-CA 3.23Å; G235-A244 WeakPolarHBondContact O-CA 3.41Å; M236-A244 HydrophobicContact CG-CB 4.45Å; A244-T267 WeakPolarHBondContact O-CG2 3.17Å; A244-T267 PolarHBondContact O-N 3.39Å; A244-T267 PolarHBondContact O-OG1 2.93Å; A244-W269 HydrophobicContact CB-CD2 3.94Å; A244-W269 HydrophobicContact CB-CE3 3.88Å; A244-W269 HydrophobicContact CB-CH2 3.43Å; A244-W269 VanDerWaalsContact CB-CH2 3.43Å; A244-W269 HydrophobicContact CB-CZ2 3.5Å; A244-W269 HydrophobicContact CB-CZ3 3.62Å
245	C	98.2	Very high	95.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	160.6	167.2	72.9	0	0	0	0	109.6	T218 V219 V234 G235 V265	T218-C245 PolarHBondContact O-SG 3.37Å; T218-C245 VanDerWaalsContact O-SG 3.35Å; T218-C245 WeakPolarHBondContact OG1-CB 3.32Å; V219-C245 WeakPolarHBondContact CA-SG 3.35Å; V219-C245 HydrophobicContact CG2-CB 3.98Å; V219-C245 PolarHBondContact N-SG 3.29Å; V219-C245 VanDerWaalsContact N-SG 3.39Å; V234-C245 WeakPolarHBondContact CA-O 3.07Å; V234-C245 WeakPolarHBondContact CG1-O 3.44Å; G235-C245 PolarHBondContact N-O 3.42Å; G235-C245 PolarHBondContact O-N 3.18Å; C245-V265 CarbonylContact C-O 3.46Å; C245-V265 WeakPolarHBondContact CA-O 3.47Å; C245-V265 WeakPolarHBondContact CB-O 3.28Å
246	Y	98.1	Very high	95.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	164.7	174.1	70.1	-77.4	0	0	0	111.8	M53 M69 E233 E248 C264 V265 T267 V401 Q404 M405	M53-Y246 HydrophobicContact CE-CD1 4.33Å; M53-Y246 HydrophobicContact CE-CE1 3.47Å; M53-Y246 VanDerWaalsContact CE-CE1 3.47Å; M69-Y246 HydrophobicContact CE-CE1 3.5Å; M69-Y246 WeakPolarHBondContact CE-OH 3.44Å; E233-Y246 CarbonylContact O-C 3.59Å; E233-Y246 WeakPolarHBondContact O-CA 3.22Å; E233-Y246 WeakPolarHBondContact O-CB 3.43Å; Y246-E248 HydrophobicContact CD2-CB 4.28Å; Y246-E248 HydrophobicContact CE2-CB 3.59Å; Y246-E248 HydrophobicContact CE2-CG 4.08Å; Y246-E248 VanDerWaalsContact CE2-OE2 3.29Å; Y246-E248 WeakPolarHBondContact CE2-OE2 3.44Å; Y246-E248 PolarHBondContact O-N 3.33Å; Y246-E248 PolarHBondContact OH-OE2 3.21Å; Y246-C264 CarbonylContact O-C 3.53Å; Y246-C264 VanDerWaalsContact O-CA 3.31Å; Y246-C264 WeakPolarHBondContact O-CA 3.41Å; Y246-V265 HydrophobicContact CE1-CB 4.5Å; Y246-V265 PolarHBondContact N-O 3.41Å; Y246-V265 VanDerWaalsContact N-O 3.08Å; Y246-V265 PolarHBondContact O-N 3.23Å; Y246-T267 HydrophobicContact CD1-CG2 4.01Å; Y246-T267 HydrophobicContact CE1-CG2 3.98Å; Y246-V401 HydrophobicContact CD1-CG1 3.7Å; Y246-V401 HydrophobicContact CD2-CG1 4.41Å; Y246-V401 HydrophobicContact CE1-CG1 4.34Å; Y246-V401 HydrophobicContact CG-CG1 3.75Å; Y246-Q404 PolarHBondContact OH-NE2 2.89Å; Y246-Q404 VanDerWaalsContact OH-NE2 3.09Å; Y246-M405 HydrophobicContact CD2-CE 4.18Å; Y246-M405 HydrophobicContact CD2-CG 3.43Å; Y246-M405 VanDerWaalsContact CD2-CG 3.43Å; Y246-M405 HydrophobicContact CD2-SD 3.61Å; Y246-M405 HydrophobicContact CE2-CG 3.84Å; Y246-M405 HydrophobicContact CG-CG 4.27Å; Y246-M405 HydrophobicContact CG-SD 3.96Å
247	M	96.6	Very high	94.9	Very high	3 Å²	3	33 Å²	33	2%	0.015	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	110.5	172.9	-65.9	-59.4	-59.8	0	0	110.9	M222 E233 R262 C264	M222-M247 HydrophobicContact CE-CG 4.1Å; M222-M247 HydrophobicContact CE-SD 3.72Å; M222-M247 HydrophobicContact SD-CG 4.21Å; E233-M247 HydrophobicContact CB-CB 4.24Å; E233-M247 HydrophobicContact CB-CG 4.17Å; E233-M247 HydrophobicContact CG-CG 4.36Å; E233-M247 PolarHBondContact O-N 3.31Å; M247-R262 HydrophobicContact CE-CB 3.8Å; M247-C264 HydrophobicContact SD-CB 3.66Å
248	E	96.9	Very high	94.7	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.009	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	154.2	177.8	-175	55.6	-80.5	0	0	111.4	L57 Y246 T252 V253 R262 M263 V265 Q404	L57-E248 HydrophobicContact CD1-CG 4.29Å; L57-E248 HydrophobicContact CD2-CG 4.42Å; Y246-E248 HydrophobicContact CD2-CB 4.28Å; Y246-E248 HydrophobicContact CE2-CB 3.59Å; Y246-E248 HydrophobicContact CE2-CG 4.08Å; Y246-E248 VanDerWaalsContact CE2-OE2 3.29Å; Y246-E248 WeakPolarHBondContact CE2-OE2 3.44Å; Y246-E248 PolarHBondContact O-N 3.33Å; Y246-E248 PolarHBondContact OH-OE2 3.21Å; E248-T252 WeakPolarHBondContact CG-OG1 3.4Å; E248-T252 PolarHBondContact OE1-OG1 3.27Å; E248-V253 HydrophobicContact CB-CG2 4.3Å; E248-V253 HydrophobicContact CG-CG2 3.87Å; E248-R262 CarbonylContact O-C 3.5Å; E248-R262 WeakPolarHBondContact O-CA 3.28Å; E248-R262 VanDerWaalsContact O-CB 3.29Å; E248-R262 WeakPolarHBondContact O-CB 3.35Å; E248-M263 PolarHBondContact N-O 2.9Å; E248-M263 PolarHBondContact O-N 2.96Å; E248-V265 HydrophobicContact CB-CB 4.44Å; E248-V265 HydrophobicContact CB-CG2 3.76Å; E248-V265 HydrophobicContact CG-CG2 4.41Å; E248-Q404 PolarHBondContact OE2-NE2 3.35Å
249	E	95.3	Very high	94.4	Very high	36 Å²	36	41.9 Å²	41.9	17%	0.168	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	125.8	175.1	-58.4	-61.6	143.1	0	0	110.5	R251 T252 R262 R408	E249-R251 HydrophobicContact CB-CG 4.08Å; E249-R251 PolarHBondContact O-N 3.29Å; E249-R251 VanDerWaalsContact O-N 3.13Å; E249-T252 HydrophobicContact CB-CG2 4.29Å; E249-T252 PolarHBondContact O-N 3.39Å; E249-T252 PolarHBondContact O-OG1 2.79Å; E249-R262 WeakPolarHBondContact OE1-CD 3.17Å; E249-R408 HydrophobicContact CG-CB 4.42Å
250	M	94.6	Very high	94.4	Very high	16 Å²	16	50.5 Å²	50.5	8%	0.079	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-53.6	-39.7	-174.8	-84.7	-67.5	-65.9	0	0	113.1	T252 V253 V256 G258 E260 G261 M263	M250-T252 PolarHBondContact O-N 3.01Å; M250-V253 PolarHBondContact O-N 3.24Å; M250-V256 HydrophobicContact CE-CB 4.48Å; M250-V256 HydrophobicContact CE-CG1 4.24Å; M250-G258 WeakPolarHBondContact CE-O 3.33Å; M250-E260 WeakPolarHBondContact CG-O 3.24Å; M250-G261 WeakPolarHBondContact CB-O 3.29Å; M250-G261 PolarHBondContact N-O 3.24Å; M250-M263 HydrophobicContact CE-CE 4.05Å; M250-M263 HydrophobicContact CG-CB 4.45Å; M250-M263 HydrophobicContact SD-CB 3.58Å; M250-M263 VanDerWaalsContact SD-CB 3.58Å; M250-M263 HydrophobicContact SD-CE 3.54Å; M250-M263 VanDerWaalsContact SD-CE 3.54Å; M250-M263 HydrophobicContact SD-SD 4.48Å
251	R	94.9	Very high	94.6	Very high	156 Å²	156	49.6 Å²	49.6	59%	0.589	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-54.2	-14.7	174.5	70.7	-175.4	176.6	-166.1	-1.3	115.7	E249 E259 R408	E249-R251 HydrophobicContact CB-CG 4.08Å; E249-R251 PolarHBondContact O-N 3.29Å; E249-R251 VanDerWaalsContact O-N 3.13Å; R251-E259 HydrophobicContact CB-CB 4.25Å; R251-E259 PolarHBondContact N-O 3.11Å; R251-R408 PolarHBondContact NH2-O 3.36Å
252	T	95.3	Very high	94.6	Very high	13 Å²	13	53.6 Å²	53.6	8%	0.08	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-103.5	-12.7	178.6	70.1	0	0	0	0	113.1	E248 E249 M250 E254	E248-T252 WeakPolarHBondContact CG-OG1 3.4Å; E248-T252 PolarHBondContact OE1-OG1 3.27Å; E249-T252 HydrophobicContact CB-CG2 4.29Å; E249-T252 PolarHBondContact O-N 3.39Å; E249-T252 PolarHBondContact O-OG1 2.79Å; M250-T252 PolarHBondContact O-N 3.01Å; T252-E254 PolarHBondContact O-N 3.21Å
253	V	96.1	Very high	94.7	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.012	27%	0.27	C	S	.	.			trans	-93.1	78.4	-177.9	-171	0	0	0	0	108.6	L57 P71 E248 M250 L255 V256 V265	L57-V253 HydrophobicContact CD2-CG2 4.14Å; P71-V253 HydrophobicContact CB-CG1 4.48Å; P71-V253 HydrophobicContact CG-CG1 4Å; E248-V253 HydrophobicContact CB-CG2 4.3Å; E248-V253 HydrophobicContact CG-CG2 3.87Å; M250-V253 PolarHBondContact O-N 3.24Å; V253-L255 HydrophobicContact CG1-CB 4.39Å; V253-L255 PolarHBondContact O-N 2.98Å; V253-V256 HydrophobicContact CG1-CG2 4.35Å; V253-V256 PolarHBondContact O-N 2.81Å; V253-V265 HydrophobicContact CG2-CG2 4.1Å
254	E	96.5	Very high	94.6	Very high	103 Å²	103	53.2 Å²	53.2	48%	0.481	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-8	-177	-62.8	178.2	-173.8	0	0	113.6	L57 R58 L59 T252 V256	L57-E254 PolarHBondContact O-N 3.09Å; L57-E254 VanDerWaalsContact O-N 3.14Å; R58-E254 VanDerWaalsContact CA-OE2 3.32Å; R58-E254 WeakPolarHBondContact CA-OE2 3.49Å; L59-E254 HydrophobicContact CB-CB 4.16Å; L59-E254 PolarHBondContact N-OE2 3.38Å; T252-E254 PolarHBondContact O-N 3.21Å; E254-V256 VanDerWaalsContact C-N 3.33Å
255	L	93.8	Very high	94.6	Very high	42 Å²	42	53.2 Å²	53.2	22%	0.22	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.9	179.4	-55.2	175.9	0	0	0	113.8	L59 H62 P71 V253	L59-L255 HydrophobicContact CD1-CD2 4.38Å; H62-L255 HydrophobicContact CB-CD2 3.81Å; H62-L255 VanDerWaalsContact CE1-CD1 3.5Å; H62-L255 WeakPolarHBondContact CE1-CD1 3.48Å; H62-L255 WeakPolarHBondContact ND1-CD1 3.43Å; P71-L255 HydrophobicContact CG-CB 3.8Å; P71-L255 HydrophobicContact CG-CD1 3.92Å; V253-L255 HydrophobicContact CG1-CB 4.39Å; V253-L255 PolarHBondContact O-N 2.98Å
256	V	92.8	Very high	94.6	Very high	24 Å²	24	53.5 Å²	53.5	15%	0.145	27%	0.269	C	S	.	.	S	Bend	trans	-130.2	139	-179.1	-175.5	0	0	0	0	108.9	P71 Y73 M250 V253 E254 M263	P71-V256 HydrophobicContact CB-CG2 3.56Å; P71-V256 HydrophobicContact CG-CG2 3.67Å; Y73-V256 HydrophobicContact CE1-CG1 4.32Å; M250-V256 HydrophobicContact CE-CB 4.48Å; M250-V256 HydrophobicContact CE-CG1 4.24Å; V253-V256 HydrophobicContact CG1-CG2 4.35Å; V253-V256 PolarHBondContact O-N 2.81Å; E254-V256 VanDerWaalsContact C-N 3.33Å; V256-M263 HydrophobicContact CB-CE 4.29Å; V256-M263 HydrophobicContact CG1-CE 3.95Å; V256-M263 HydrophobicContact CG2-CE 4.16Å; V256-M263 HydrophobicContact CG2-SD 4.34Å
257	E	90.7	Very high	94.6	Very high	193 Å²	193	53.5 Å²	53.5	90%	0.902	27%	0.269	S	S	*	.	S	Bend	trans	-67.4	135.1	175.7	-66.4	-173	170.9	0	0	111.4
258	G	90.2	Very high	94.6	Very high	46 Å²	46	54.1 Å²	54.1	47%	0.474	27%	0.272	S	S	.	.			trans	116	144.6	176.5	0	0	0	0	0	113	M250	M250-G258 WeakPolarHBondContact CE-O 3.33Å
259	E	90.4	Very high	94.6	Very high	156 Å²	156	54 Å²	54	73%	0.729	27%	0.272	S	S	*	.			trans	-114.6	-11.7	-177.6	-63.2	-175.5	176.4	0	0	113.1	R251	R251-E259 HydrophobicContact CB-CB 4.25Å; R251-E259 PolarHBondContact N-O 3.11Å
260	E	91.8	Very high	94.7	Very high	185 Å²	185	52.3 Å²	52.3	86%	0.864	26%	0.264	S	S	*	.	S	Bend	trans	-91.2	137.8	-173.8	-65.3	-169	172.1	0	0	112.5	M250	M250-E260 WeakPolarHBondContact CG-O 3.24Å
261	G	92.6	Very high	94.8	Very high	50 Å²	50	52.2 Å²	52.2	52%	0.515	27%	0.265	S	S	.	.	S	Bend	trans	85.1	-156.8	177.3	0	0	0	0	0	113.2	M250	M250-G261 WeakPolarHBondContact CB-O 3.29Å; M250-G261 PolarHBondContact N-O 3.24Å
262	R	93.3	Very high	94.9	Very high	88 Å²	88	44.8 Å²	44.8	33%	0.332	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.7	-174.6	-63.3	-179.4	-63.1	169.8	9.1	109.7	C75 E233 M247 E248 E249	C75-R262 CarbonylContact C-O 3.56Å; C75-R262 VanDerWaalsContact CA-O 3.25Å; C75-R262 WeakPolarHBondContact CA-O 3.4Å; E233-R262 IonicContact OE1-CZ 3.54Å; E233-R262 IonicContact OE1-NH1 3.88Å; E233-R262 PolarHBondContact OE1-NH1 2.77Å; E233-R262 IonicContact OE1-NH2 3.79Å; M247-R262 HydrophobicContact CE-CB 3.8Å; E248-R262 CarbonylContact O-C 3.5Å; E248-R262 WeakPolarHBondContact O-CA 3.28Å; E248-R262 VanDerWaalsContact O-CB 3.29Å; E248-R262 WeakPolarHBondContact O-CB 3.35Å; E249-R262 WeakPolarHBondContact OE1-CD 3.17Å
263	M	94.7	Very high	95.1	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	139.3	174.8	-173.2	-178.3	-65	0	0	109.9	P71 E248 M250 V256 V265	P71-M263 HydrophobicContact CB-SD 3.6Å; E248-M263 PolarHBondContact N-O 2.9Å; E248-M263 PolarHBondContact O-N 2.96Å; M250-M263 HydrophobicContact CE-CE 4.05Å; M250-M263 HydrophobicContact CG-CB 4.45Å; M250-M263 HydrophobicContact SD-CB 3.58Å; M250-M263 VanDerWaalsContact SD-CB 3.58Å; M250-M263 HydrophobicContact SD-CE 3.54Å; M250-M263 VanDerWaalsContact SD-CE 3.54Å; M250-M263 HydrophobicContact SD-SD 4.48Å; V256-M263 HydrophobicContact CB-CE 4.29Å; V256-M263 HydrophobicContact CG1-CE 3.95Å; V256-M263 HydrophobicContact CG2-CE 4.16Å; V256-M263 HydrophobicContact CG2-SD 4.34Å; M263-V265 PolarHBondContact O-N 3.07Å
264	C	96.5	Very high	95.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	127.4	168.4	-170.9	0	0	0	0	109.5	T72 V74 M222 Y246 M247	T72-C264 WeakPolarHBondContact CB-O 3.44Å; T72-C264 VanDerWaalsContact CG2-O 3.29Å; T72-C264 WeakPolarHBondContact CG2-O 3.49Å; T72-C264 PolarHBondContact N-O 3.18Å; T72-C264 WeakPolarHBondContact OG1-CB 3.5Å; T72-C264 PolarHBondContact OG1-O 3.2Å; V74-C264 HydrophobicContact CB-CB 4.08Å; V74-C264 HydrophobicContact CG1-CB 4.48Å; V74-C264 PolarHBondContact O-N 2.94Å; M222-C264 HydrophobicContact CE-CB 3.94Å; M222-C264 WeakPolarHBondContact CE-SG 3.45Å; Y246-C264 CarbonylContact O-C 3.53Å; Y246-C264 VanDerWaalsContact O-CA 3.31Å; Y246-C264 WeakPolarHBondContact O-CA 3.41Å; M247-C264 HydrophobicContact SD-CB 3.66Å
265	V	97.7	Very high	95.1	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.2	176.3	175.6	0	0	0	0	108.6	L57 M69 C245 Y246 E248 V253 M263	L57-V265 HydrophobicContact CD2-CG1 4.34Å; L57-V265 HydrophobicContact CD2-CG2 4.31Å; M69-V265 HydrophobicContact CB-CG1 3.82Å; M69-V265 HydrophobicContact CE-CG1 3.82Å; M69-V265 WeakPolarHBondContact O-CG1 3.48Å; M69-V265 HydrophobicContact SD-CG1 4.43Å; C245-V265 CarbonylContact C-O 3.46Å; C245-V265 WeakPolarHBondContact CA-O 3.47Å; C245-V265 WeakPolarHBondContact CB-O 3.28Å; Y246-V265 HydrophobicContact CE1-CB 4.5Å; Y246-V265 PolarHBondContact N-O 3.41Å; Y246-V265 VanDerWaalsContact N-O 3.08Å; Y246-V265 PolarHBondContact O-N 3.23Å; E248-V265 HydrophobicContact CB-CB 4.44Å; E248-V265 HydrophobicContact CB-CG2 3.76Å; E248-V265 HydrophobicContact CG-CG2 4.41Å; V253-V265 HydrophobicContact CG2-CG2 4.1Å; M263-V265 PolarHBondContact O-N 3.07Å
266	N	97.8	Very high	95.2	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.027	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	116.2	170.4	173.1	15.5	0	0	0	108.6	M69 L70 T72 N216 N243 E268	M69-N266 CarbonylContact C-O 3.1Å; M69-N266 WeakPolarHBondContact CA-O 3.33Å; L70-N266 HydrophobicContact CB-CB 4.42Å; L70-N266 PolarHBondContact N-O 3.22Å; L70-N266 PolarHBondContact O-N 3.43Å; T72-N266 HydrophobicContact CG2-CB 3.81Å; N216-N266 PolarHBondContact ND2-ND2 3.43Å; N243-N266 PolarHBondContact ND2-OD1 3.47Å; N266-E268 VanDerWaalsContact C-N 3.33Å; N266-E268 PolarHBondContact ND2-OE1 3.29Å; N266-E268 PolarHBondContact O-N 3.19Å; N266-E268 PolarHBondContact OD1-N 2.93Å; N266-E268 PolarHBondContact OD1-OE1 3.23Å
267	T	98.2	Very high	95.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.255	C	S	.	.			trans	-70	-33.9	-171.5	65.8	0	0	0	0	112.2	V67 K68 M69 N243 A244 Y246 W269	V67-T267 VanDerWaalsContact CG1-O 3.28Å; V67-T267 WeakPolarHBondContact CG1-O 3.41Å; K68-T267 PolarHBondContact N-O 2.97Å; M69-T267 HydrophobicContact CE-CG2 4.38Å; M69-T267 PolarHBondContact N-O 2.91Å; M69-T267 VanDerWaalsContact N-O 3.14Å; M69-T267 HydrophobicContact SD-CG2 3.91Å; N243-T267 PolarHBondContact OD1-OG1 3.46Å; A244-T267 WeakPolarHBondContact O-CG2 3.17Å; A244-T267 PolarHBondContact O-N 3.39Å; A244-T267 PolarHBondContact O-OG1 2.93Å; Y246-T267 HydrophobicContact CD1-CG2 4.01Å; Y246-T267 HydrophobicContact CE1-CG2 3.98Å; T267-W269 PolarHBondContact O-N 2.67Å; T267-W269 WeakPolarHBondContact OG1-CB 3.07Å; T267-W269 PolarHBondContact OG1-N 2.78Å
268	E	96.3	Very high	95.7	Very high	17 Å²	17	35.8 Å²	35.8	8%	0.079	21%	0.213	C	C	.	.			trans	47.8	40.5	-163.8	-67	-62.4	157.5	0	0	111.3	L70 P165 N216 N243 N266 G270 A271	L70-E268 HydrophobicContact CD1-CG 3.65Å; L70-E268 HydrophobicContact CG-CG 4.37Å; P165-E268 HydrophobicContact CB-CG 4.39Å; N216-E268 PolarHBondContact ND2-OE1 2.62Å; N243-E268 PolarHBondContact ND2-OE1 2.79Å; N243-E268 VanDerWaalsContact OD1-CA 3.24Å; N243-E268 WeakPolarHBondContact OD1-CA 3.35Å; N243-E268 PolarHBondContact OD1-N 2.89Å; N243-E268 VanDerWaalsContact OD1-N 3.16Å; N266-E268 VanDerWaalsContact C-N 3.33Å; N266-E268 PolarHBondContact ND2-OE1 3.29Å; N266-E268 PolarHBondContact O-N 3.19Å; N266-E268 PolarHBondContact OD1-N 2.93Å; N266-E268 PolarHBondContact OD1-OE1 3.23Å; E268-G270 PolarHBondContact O-N 2.77Å; E268-A271 PolarHBondContact O-N 3.45Å
269	W	97.8	Very high	96	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-64.1	-4.5	-173.7	68.8	6	0	0	0	114.6	M49 V67 M236 C242 N243 A244 T267 A271 F272 Y301 L398 V401	M49-W269 HydrophobicContact CE-CB 3.98Å; M49-W269 HydrophobicContact CE-CE3 4.26Å; M49-W269 HydrophobicContact CE-CG 4.47Å; M49-W269 HydrophobicContact SD-CB 4.12Å; V67-W269 HydrophobicContact CG1-CB 4.4Å; M236-W269 HydrophobicContact CE-CH2 3.82Å; M236-W269 HydrophobicContact CE-CZ2 3.68Å; M236-W269 HydrophobicContact CG-CH2 4.41Å; M236-W269 HydrophobicContact CG-CZ2 4.18Å; M236-W269 HydrophobicContact SD-CH2 4Å; M236-W269 HydrophobicContact SD-CZ2 4.2Å; C242-W269 PolarHBondContact O-NE1 2.84Å; C242-W269 PolarHBondContact SG-NE1 3.26Å; N243-W269 PolarHBondContact OD1-N 2.83Å; A244-W269 HydrophobicContact CB-CD2 3.94Å; A244-W269 HydrophobicContact CB-CE3 3.88Å; A244-W269 HydrophobicContact CB-CH2 3.43Å; A244-W269 VanDerWaalsContact CB-CH2 3.43Å; A244-W269 HydrophobicContact CB-CZ2 3.5Å; A244-W269 HydrophobicContact CB-CZ3 3.62Å; T267-W269 PolarHBondContact O-N 2.67Å; T267-W269 WeakPolarHBondContact OG1-CB 3.07Å; T267-W269 PolarHBondContact OG1-N 2.78Å; W269-A271 PolarHBondContact O-N 3.09Å; W269-F272 WeakPolarHBondContact O-CB 3.45Å; W269-F272 PolarHBondContact O-N 3.28Å; W269-Y301 HydrophobicContact CD2-CE1 4.34Å; W269-Y301 HydrophobicContact CG-CE1 4.37Å; W269-Y301 WeakPolarHBondContact O-CD1 3.19Å; W269-L398 HydrophobicContact CH2-CB 4.19Å; W269-L398 HydrophobicContact CZ3-CB 4.44Å; W269-V401 HydrophobicContact CE3-CG2 4.08Å; W269-V401 HydrophobicContact CZ3-CG2 3.8Å
270	G	96.6	Very high	96.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-63	-29	-179.1	0	0	0	0	0	112	E268 F272 Q299 L300 Y301 E302	E268-G270 PolarHBondContact O-N 2.77Å; G270-F272 VanDerWaalsContact C-N 3.3Å; G270-Q299 CarbonylContact O-C 3.48Å; G270-Q299 WeakPolarHBondContact O-CA 3.5Å; G270-L300 PolarHBondContact O-N 3.43Å; G270-Y301 PolarHBondContact O-N 2.98Å; G270-E302 PolarHBondContact O-N 3.24Å
271	A	96.4	Very high	96.5	Very high	13 Å²	13	28.3 Å²	28.3	11%	0.107	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-79.7	-4.1	175.8	0	0	0	0	0	114.1	S66 E268 W269 G273 D274	S66-A271 WeakPolarHBondContact CB-O 3.27Å; S66-A271 VanDerWaalsContact O-CB 3.29Å; S66-A271 WeakPolarHBondContact O-CB 3.44Å; E268-A271 PolarHBondContact O-N 3.45Å; W269-A271 PolarHBondContact O-N 3.09Å; A271-G273 PolarHBondContact O-N 2.96Å; A271-D274 WeakPolarHBondContact CB-OD2 3.39Å; A271-D274 WeakPolarHBondContact O-CB 3.07Å; A271-D274 PolarHBondContact O-N 3.45Å
272	F	98.4	Very high	96.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	132.8	174.4	176.7	-132.7	0	0	0	110.4	V45 R48 M49 E52 V67 W269 G270 E277 L278 Y301	V45-F272 HydrophobicContact CG1-CE1 4.16Å; R48-F272 HydrophobicContact CB-CE2 4.03Å; R48-F272 HydrophobicContact CB-CZ 3.66Å; M49-F272 HydrophobicContact CB-CE1 4.3Å; M49-F272 HydrophobicContact CB-CZ 4.36Å; M49-F272 HydrophobicContact CE-CB 3.87Å; M49-F272 HydrophobicContact CE-CD1 3.27Å; M49-F272 HydrophobicContact CE-CE1 3.88Å; M49-F272 HydrophobicContact CE-CG 3.66Å; M49-F272 HydrophobicContact SD-CB 4.48Å; M49-F272 HydrophobicContact SD-CD1 4.3Å; M49-F272 HydrophobicContact SD-CG 4.25Å; E52-F272 HydrophobicContact CB-CD2 4.37Å; E52-F272 HydrophobicContact CG-CD2 4.07Å; E52-F272 HydrophobicContact CG-CE2 4.07Å; V67-F272 HydrophobicContact CG2-CB 3.81Å; V67-F272 HydrophobicContact CG2-CD2 4.19Å; V67-F272 HydrophobicContact CG2-CG 4.32Å; W269-F272 WeakPolarHBondContact O-CB 3.45Å; W269-F272 PolarHBondContact O-N 3.28Å; G270-F272 VanDerWaalsContact C-N 3.3Å; F272-E277 HydrophobicContact CD2-CB 4.26Å; F272-E277 HydrophobicContact CE2-CB 3.64Å; F272-E277 HydrophobicContact CE2-CG 4.19Å; F272-E277 HydrophobicContact CZ-CB 4.34Å; F272-L278 HydrophobicContact CD1-CD1 3.69Å; F272-L278 HydrophobicContact CD1-CD2 4.22Å; F272-L278 HydrophobicContact CD1-CG 4.08Å; F272-L278 HydrophobicContact CE1-CD1 3.86Å; F272-L278 HydrophobicContact CE1-CD2 3.5Å; F272-L278 HydrophobicContact CE1-CG 3.82Å; F272-L278 HydrophobicContact CG-CD1 4.28Å; F272-L278 HydrophobicContact CZ-CD2 3.73Å; F272-L278 HydrophobicContact CZ-CG 4.04Å; F272-Y301 HydrophobicContact CB-CD1 4.34Å; F272-Y301 HydrophobicContact CB-CG 4.17Å; F272-Y301 HydrophobicContact CD1-CD1 4.35Å; F272-Y301 AromaticContact CD1-CD2 3.8Å; F272-Y301 HydrophobicContact CD1-CD2 3.8Å; F272-Y301 HydrophobicContact CD1-CE2 4.11Å; F272-Y301 AromaticContact CD1-CG 3.91Å; F272-Y301 HydrophobicContact CD1-CG 3.91Å; F272-Y301 HydrophobicContact CE1-CD2 4.45Å; F272-Y301 WeakPolarHBondContact O-CB 3.49Å; F272-Y301 PolarHBondContact O-N 3.45Å; F272-Y301 VanDerWaalsContact O-N 3.12Å
273	G	97.6	Very high	97	Very high	1 Å²	1	24 Å²	24	1%	0.01	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	-14.7	-175	0	0	0	0	0	114.8	A271 S275 G276 E277 L300	A271-G273 PolarHBondContact O-N 2.96Å; G273-S275 PolarHBondContact O-N 2.99Å; G273-S275 VanDerWaalsContact O-N 3.13Å; G273-G276 PolarHBondContact O-N 3.16Å; G273-E277 WeakPolarHBondContact CA-OE2 3.34Å; G273-E277 PolarHBondContact N-OE2 3.44Å; G273-L300 WeakPolarHBondContact O-CD1 3.44Å
274	D	97	Very high	97.1	Very high	42 Å²	42	28 Å²	28	23%	0.225	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.6	179.4	-72.5	8.3	0	0	0	112.5	A271 H298 Q299 L300	A271-D274 WeakPolarHBondContact CB-OD2 3.39Å; A271-D274 WeakPolarHBondContact O-CB 3.07Å; A271-D274 PolarHBondContact O-N 3.45Å; D274-H298 VanDerWaalsContact OD2-CA 3.26Å; D274-H298 WeakPolarHBondContact OD2-CA 3.33Å; D274-H298 IonicContact OD2-ND1 3.45Å; D274-Q299 PolarHBondContact OD1-N 2.9Å; D274-Q299 PolarHBondContact OD2-N 3.27Å; D274-Q299 VanDerWaalsContact OD2-N 3.09Å; D274-L300 WeakPolarHBondContact OD1-CG 3.26Å; D274-L300 PolarHBondContact OD1-N 3.03Å
275	S	95.8	Very high	97.2	Very high	79 Å²	79	28.4 Å²	28.4	55%	0.552	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	12.1	176.3	-58.2	0	0	0	0	113.2	G273 E277	G273-S275 PolarHBondContact O-N 2.99Å; G273-S275 VanDerWaalsContact O-N 3.13Å; S275-E277 WeakPolarHBondContact CA-OE2 3.2Å; S275-E277 WeakPolarHBondContact CB-OE1 3.5Å; S275-E277 PolarHBondContact N-OE2 3.44Å
276	G	96.4	Very high	97.2	Very high	40 Å²	40	28.6 Å²	28.6	41%	0.412	16%	0.156	S	C	.	.	S	Bend	trans	96.9	4.7	175.8	0	0	0	0	0	115.3	G273 L278 E279	G273-G276 PolarHBondContact O-N 3.16Å; G276-L278 PolarHBondContact O-N 3.12Å; G276-L278 VanDerWaalsContact O-N 3.1Å; G276-E279 PolarHBondContact O-N 3.23Å
277	E	97.4	Very high	97.3	Very high	25 Å²	25	31.8 Å²	31.8	12%	0.117	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.9	-177.4	-55.2	91.3	151.5	0	0	113	R48 E52 S66 F272 G273 S275	R48-E277 VanDerWaalsContact CD-O 3.24Å; R48-E277 WeakPolarHBondContact CD-O 3.01Å; R48-E277 PolarHBondContact NH1-O 2.87Å; E52-E277 HydrophobicContact CG-CG 3.92Å; S66-E277 VanDerWaalsContact CB-OE1 3.28Å; S66-E277 WeakPolarHBondContact CB-OE1 3.34Å; S66-E277 PolarHBondContact OG-OE1 3.42Å; F272-E277 HydrophobicContact CD2-CB 4.26Å; F272-E277 HydrophobicContact CE2-CB 3.64Å; F272-E277 HydrophobicContact CE2-CG 4.19Å; F272-E277 HydrophobicContact CZ-CB 4.34Å; G273-E277 WeakPolarHBondContact CA-OE2 3.34Å; G273-E277 PolarHBondContact N-OE2 3.44Å; S275-E277 WeakPolarHBondContact CA-OE2 3.2Å; S275-E277 WeakPolarHBondContact CB-OE1 3.5Å; S275-E277 PolarHBondContact N-OE2 3.44Å
278	L	96.6	Very high	97.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	7.6	-176.9	-68.7	-177.9	0	0	0	114.3	V45 F272 G276 E280 F281 R282 Y301 M393	V45-L278 HydrophobicContact CG1-CD2 4.43Å; V45-L278 HydrophobicContact CG2-CD2 4.32Å; F272-L278 HydrophobicContact CD1-CD1 3.69Å; F272-L278 HydrophobicContact CD1-CD2 4.22Å; F272-L278 HydrophobicContact CD1-CG 4.08Å; F272-L278 HydrophobicContact CE1-CD1 3.86Å; F272-L278 HydrophobicContact CE1-CD2 3.5Å; F272-L278 HydrophobicContact CE1-CG 3.82Å; F272-L278 HydrophobicContact CG-CD1 4.28Å; F272-L278 HydrophobicContact CZ-CD2 3.73Å; F272-L278 HydrophobicContact CZ-CG 4.04Å; G276-L278 PolarHBondContact O-N 3.12Å; G276-L278 VanDerWaalsContact O-N 3.1Å; L278-E280 VanDerWaalsContact C-N 3.26Å; L278-E280 PolarHBondContact O-N 3.48Å; L278-E280 VanDerWaalsContact O-N 3.13Å; L278-F281 HydrophobicContact CD2-CD2 3.91Å; L278-F281 PolarHBondContact O-N 3.31Å; L278-R282 PolarHBondContact O-N 3Å; L278-Y301 HydrophobicContact CD1-CD2 3.68Å; L278-Y301 HydrophobicContact CD1-CG 4.26Å; L278-M393 HydrophobicContact CD1-CE 4.36Å; L278-M393 HydrophobicContact CD2-CE 4.24Å
279	E	96.5	Very high	97.3	Very high	83 Å²	83	33.8 Å²	33.8	39%	0.388	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-58.5	-35.6	-167	-174.3	53.2	-146.1	0	0	113.7	G276 F281 R282 R287	G276-E279 PolarHBondContact O-N 3.23Å; E279-F281 VanDerWaalsContact C-N 3.31Å; E279-F281 PolarHBondContact O-N 3.46Å; E279-R282 PolarHBondContact O-N 3.06Å; E279-R282 IonicContact OE2-NH1 2.79Å; E279-R282 PolarHBondContact OE2-NH1 2.96Å; E279-R287 PolarHBondContact O-NH2 3.31Å; E279-R287 IonicContact OE1-CZ 3.34Å; E279-R287 IonicContact OE1-NE 2.83Å; E279-R287 PolarHBondContact OE1-NE 2.9Å; E279-R287 IonicContact OE1-NH2 3.55Å; E279-R287 PolarHBondContact OE1-NH2 2.84Å
280	E	95.9	Very high	97.3	Very high	128 Å²	128	34.3 Å²	34.3	60%	0.598	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-72.9	-20.9	177.3	72.4	-170.1	157.1	0	0	114.1	R48 L278	R48-E280 IonicContact CZ-OE1 3.04Å; R48-E280 IonicContact NH1-OE1 3.41Å; R48-E280 PolarHBondContact NH1-OE1 3.19Å; R48-E280 IonicContact NH2-OE1 3.94Å; R48-E280 PolarHBondContact NH2-OE1 3.07Å; L278-E280 VanDerWaalsContact C-N 3.26Å; L278-E280 PolarHBondContact O-N 3.48Å; L278-E280 VanDerWaalsContact O-N 3.13Å
281	F	96.9	Very high	97.3	Very high	20 Å²	20	40.8 Å²	40.8	9%	0.088	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-92.6	-8	178.2	-57.7	-72	0	0	0	112.6	L37 E41 E44 V45 L278 E279	L37-F281 HydrophobicContact CD2-CD1 4.03Å; E41-F281 HydrophobicContact CB-CE1 3.84Å; E41-F281 HydrophobicContact CG-CE1 4.04Å; E44-F281 HydrophobicContact CB-CZ 4.28Å; E44-F281 HydrophobicContact CG-CZ 4.14Å; V45-F281 HydrophobicContact CG2-CD1 4.19Å; V45-F281 HydrophobicContact CG2-CD2 3.88Å; V45-F281 HydrophobicContact CG2-CE1 4.06Å; V45-F281 HydrophobicContact CG2-CE2 3.72Å; V45-F281 HydrophobicContact CG2-CG 4.11Å; V45-F281 HydrophobicContact CG2-CZ 3.82Å; L278-F281 HydrophobicContact CD2-CD2 3.91Å; L278-F281 PolarHBondContact O-N 3.31Å; E279-F281 VanDerWaalsContact C-N 3.31Å; E279-F281 PolarHBondContact O-N 3.46Å
282	R	97.4	Very high	97.1	Very high	26 Å²	26	43 Å²	43	10%	0.098	23%	0.227	C	C	.	.			trans	-80.7	127.2	177.1	-68.5	-179	72.4	-166	9.5	110.1	L278 E279 D286 R287 D290	L278-R282 PolarHBondContact O-N 3Å; E279-R282 PolarHBondContact O-N 3.06Å; E279-R282 IonicContact OE2-NH1 2.79Å; E279-R282 PolarHBondContact OE2-NH1 2.96Å; R282-D286 HydrophobicContact CB-CB 4.42Å; R282-R287 VanDerWaalsContact O-CZ 3.27Å; R282-R287 PolarHBondContact O-NH1 2.95Å; R282-R287 PolarHBondContact O-NH2 3.46Å; R282-D290 IonicContact CZ-OD2 3.95Å; R282-D290 IonicContact NH1-OD2 2.75Å; R282-D290 VanDerWaalsContact NH2-CB 3.27Å; R282-D290 IonicContact NH2-OD2 3.45Å; R282-D290 PolarHBondContact NH2-OD2 3.24Å
283	L	98.3	Very high	96.8	Very high	22 Å²	22	43.6 Å²	43.6	12%	0.115	23%	0.231	C	C	.	.			trans	-86.9	167.6	170.9	-57.4	-174.8	0	0	0	111	E34 F35 Y285 D286 R287	E34-L283 HydrophobicContact CB-CD1 4.07Å; E34-L283 HydrophobicContact CB-CD2 3.91Å; F35-L283 HydrophobicContact CD1-CD1 3.92Å; F35-L283 HydrophobicContact CD2-CD1 3.79Å; F35-L283 HydrophobicContact CE1-CD1 3.8Å; F35-L283 HydrophobicContact CE2-CD1 3.69Å; F35-L283 HydrophobicContact CG-CD1 3.89Å; F35-L283 HydrophobicContact CZ-CD1 3.67Å; L283-Y285 HydrophobicContact CB-CD2 3.87Å; L283-Y285 HydrophobicContact CB-CE2 4.41Å; L283-Y285 HydrophobicContact CD1-CD2 4.3Å; L283-Y285 HydrophobicContact CD1-CE2 4.41Å; L283-Y285 PolarHBondContact O-N 2.94Å; L283-D286 WeakPolarHBondContact CB-OD2 3.28Å; L283-D286 PolarHBondContact N-OD2 2.72Å; L283-D286 WeakPolarHBondContact O-CB 3.5Å; L283-D286 PolarHBondContact O-N 3.31Å; L283-D286 VanDerWaalsContact O-N 3.14Å; L283-R287 PolarHBondContact O-N 3.08Å; L283-R287 PolarHBondContact O-NH1 3.12Å
284	E	97.8	Very high	96.1	Very high	87 Å²	87	47.2 Å²	47.2	41%	0.407	25%	0.249	S	C	.	.	H	α-helix	trans	-57	-36.4	177.5	64.7	180	173.5	0	0	112.2	D286 R287 V288 K320	E284-D286 VanDerWaalsContact C-N 3.33Å; E284-D286 PolarHBondContact O-N 3.49Å; E284-R287 WeakPolarHBondContact O-CB 3.22Å; E284-R287 PolarHBondContact O-N 3.1Å; E284-V288 WeakPolarHBondContact O-CG2 3.17Å; E284-V288 PolarHBondContact O-N 3.41Å; E284-V288 VanDerWaalsContact O-N 3.09Å; E284-K320 WeakPolarHBondContact OE1-CD 3.2Å; E284-K320 WeakPolarHBondContact OE1-CE 3.14Å; E284-K320 IonicContact OE1-NZ 2.75Å; E284-K320 PolarHBondContact OE1-NZ 3.32Å; E284-K320 IonicContact OE2-NZ 3.53Å
285	Y	98.3	Very high	95.6	Very high	7 Å²	7	46.6 Å²	46.6	3%	0.027	25%	0.246	C	C	.	.	H	α-helix	trans	-66.3	-36.6	179.1	-38.3	-80.7	0	0	0	111.9	I31 F35 L283 R287 V288 V289 L316 V317 K320	I31-Y285 WeakPolarHBondContact CG2-OH 3.4Å; F35-Y285 HydrophobicContact CE2-CD2 4.03Å; F35-Y285 AromaticContact CE2-CE2 3.6Å; F35-Y285 HydrophobicContact CE2-CE2 3.6Å; F35-Y285 AromaticContact CZ-CD2 3.55Å; F35-Y285 HydrophobicContact CZ-CD2 3.55Å; F35-Y285 AromaticContact CZ-CE2 3.63Å; F35-Y285 HydrophobicContact CZ-CE2 3.63Å; F35-Y285 HydrophobicContact CZ-CG 4.45Å; L283-Y285 HydrophobicContact CB-CD2 3.87Å; L283-Y285 HydrophobicContact CB-CE2 4.41Å; L283-Y285 HydrophobicContact CD1-CD2 4.3Å; L283-Y285 HydrophobicContact CD1-CE2 4.41Å; L283-Y285 PolarHBondContact O-N 2.94Å; Y285-R287 VanDerWaalsContact C-N 3.28Å; Y285-R287 PolarHBondContact O-N 3.24Å; Y285-V288 PolarHBondContact O-N 2.98Å; Y285-V289 WeakPolarHBondContact O-CG2 3.41Å; Y285-V289 PolarHBondContact O-N 3.33Å; Y285-L316 HydrophobicContact CD1-CB 3.91Å; Y285-V317 HydrophobicContact CD1-CG2 3.98Å; Y285-V317 HydrophobicContact CD2-CG2 4.05Å; Y285-V317 HydrophobicContact CE1-CB 4.34Å; Y285-V317 HydrophobicContact CE1-CG2 3.89Å; Y285-V317 HydrophobicContact CE2-CG2 4Å; Y285-V317 HydrophobicContact CG-CG2 4.02Å; Y285-K320 HydrophobicContact CE1-CB 4Å; Y285-K320 HydrophobicContact CE1-CD 3.89Å; Y285-K320 WeakPolarHBondContact OH-CD 3.35Å
286	D	98.4	Very high	95.5	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-65.4	-35.6	177.7	-57.2	-50.2	0	0	0	111.1	R282 L283 E284 D290 L313 R389	R282-D286 HydrophobicContact CB-CB 4.42Å; L283-D286 WeakPolarHBondContact CB-OD2 3.28Å; L283-D286 PolarHBondContact N-OD2 2.72Å; L283-D286 WeakPolarHBondContact O-CB 3.5Å; L283-D286 PolarHBondContact O-N 3.31Å; L283-D286 VanDerWaalsContact O-N 3.14Å; E284-D286 VanDerWaalsContact C-N 3.33Å; E284-D286 PolarHBondContact O-N 3.49Å; D286-D290 VanDerWaalsContact O-CB 3.23Å; D286-D290 WeakPolarHBondContact O-CB 3.19Å; D286-D290 PolarHBondContact O-N 3.48Å; D286-L313 WeakPolarHBondContact OD1-CD2 3.13Å; D286-R389 IonicContact OD1-CZ 3.09Å; D286-R389 IonicContact OD1-NH1 3.54Å; D286-R389 IonicContact OD1-NH2 2.61Å; D286-R389 PolarHBondContact OD1-NH2 3.32Å; D286-R389 IonicContact OD2-CZ 3.44Å; D286-R389 IonicContact OD2-NH1 3.08Å; D286-R389 PolarHBondContact OD2-NH1 3.44Å; D286-R389 IonicContact OD2-NH2 2.72Å; D286-R389 PolarHBondContact OD2-NH2 3.1Å
287	R	98.3	Very high	95.5	Very high	73 Å²	73	45.9 Å²	45.9	28%	0.275	24%	0.238	S	C	.	.	H	α-helix	trans	-67.5	-44.9	175.1	-63.3	-179.4	-176.1	79.5	1.5	111	E279 R282 L283 E284 Y285 V289 D290 E291	E279-R287 PolarHBondContact O-NH2 3.31Å; E279-R287 IonicContact OE1-CZ 3.34Å; E279-R287 IonicContact OE1-NE 2.83Å; E279-R287 PolarHBondContact OE1-NE 2.9Å; E279-R287 IonicContact OE1-NH2 3.55Å; E279-R287 PolarHBondContact OE1-NH2 2.84Å; R282-R287 VanDerWaalsContact O-CZ 3.27Å; R282-R287 PolarHBondContact O-NH1 2.95Å; R282-R287 PolarHBondContact O-NH2 3.46Å; L283-R287 PolarHBondContact O-N 3.08Å; L283-R287 PolarHBondContact O-NH1 3.12Å; E284-R287 WeakPolarHBondContact O-CB 3.22Å; E284-R287 PolarHBondContact O-N 3.1Å; Y285-R287 VanDerWaalsContact C-N 3.28Å; Y285-R287 PolarHBondContact O-N 3.24Å; R287-V289 PolarHBondContact O-N 3Å; R287-D290 WeakPolarHBondContact O-CB 3.48Å; R287-D290 PolarHBondContact O-N 3.04Å; R287-E291 WeakPolarHBondContact O-CB 3.02Å; R287-E291 VanDerWaalsContact O-CG 3.31Å; R287-E291 WeakPolarHBondContact O-CG 2.95Å; R287-E291 PolarHBondContact O-N 3.42Å
288	V	98.2	Very high	95.3	Very high	57 Å²	57	49.9 Å²	49.9	35%	0.345	26%	0.256	S	S	.	.	H	α-helix	trans	-62.6	-42.7	176.1	176.4	0	0	0	0	111.9	E284 Y285 D290 T292 L316	E284-V288 WeakPolarHBondContact O-CG2 3.17Å; E284-V288 PolarHBondContact O-N 3.41Å; E284-V288 VanDerWaalsContact O-N 3.09Å; Y285-V288 PolarHBondContact O-N 2.98Å; V288-D290 VanDerWaalsContact C-N 3.3Å; V288-D290 PolarHBondContact O-N 3.39Å; V288-T292 WeakPolarHBondContact O-CB 3.3Å; V288-T292 WeakPolarHBondContact O-CG2 3.4Å; V288-T292 PolarHBondContact O-N 2.91Å; V288-T292 PolarHBondContact O-OG1 2.91Å; V288-L316 HydrophobicContact CB-CD1 4.01Å; V288-L316 HydrophobicContact CG1-CD1 3.84Å; V288-L316 HydrophobicContact CG1-CD2 3.83Å
289	V	97.9	Very high	95.3	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-43.9	175.2	167.2	0	0	0	0	111.1	Y285 R287 T292 S293 K303 Y309 E312 L313 L316	Y285-V289 WeakPolarHBondContact O-CG2 3.41Å; Y285-V289 PolarHBondContact O-N 3.33Å; R287-V289 PolarHBondContact O-N 3Å; V289-T292 PolarHBondContact O-OG1 2.95Å; V289-S293 WeakPolarHBondContact O-CB 3Å; V289-S293 PolarHBondContact O-N 3.32Å; V289-S293 VanDerWaalsContact O-N 3.17Å; V289-K303 HydrophobicContact CG1-CB 4.42Å; V289-K303 HydrophobicContact CG1-CG 4.46Å; V289-Y309 HydrophobicContact CG1-CD1 3.61Å; V289-Y309 HydrophobicContact CG1-CE1 4.42Å; V289-Y309 HydrophobicContact CG1-CG 4.16Å; V289-E312 HydrophobicContact CG2-CB 4.41Å; V289-E312 HydrophobicContact CG2-CG 3.87Å; V289-L313 HydrophobicContact CB-CD2 4.43Å; V289-L313 HydrophobicContact CG2-CD2 3.66Å; V289-L313 HydrophobicContact CG2-CG 4.08Å; V289-L316 HydrophobicContact CG2-CD1 3.6Å
290	D	97.3	Very high	95.3	Very high	11 Å²	11	47 Å²	47	6%	0.059	24%	0.243	C	C	.	.	H	α-helix	trans	-66.7	-55.2	-179.4	175.8	41.9	0	0	0	112.8	R282 D286 R287 V288 T292 S293 P296 G297 L300 K303	R282-D290 IonicContact CZ-OD2 3.95Å; R282-D290 IonicContact NH1-OD2 2.75Å; R282-D290 VanDerWaalsContact NH2-CB 3.27Å; R282-D290 IonicContact NH2-OD2 3.45Å; R282-D290 PolarHBondContact NH2-OD2 3.24Å; D286-D290 VanDerWaalsContact O-CB 3.23Å; D286-D290 WeakPolarHBondContact O-CB 3.19Å; D286-D290 PolarHBondContact O-N 3.48Å; R287-D290 WeakPolarHBondContact O-CB 3.48Å; R287-D290 PolarHBondContact O-N 3.04Å; V288-D290 VanDerWaalsContact C-N 3.3Å; V288-D290 PolarHBondContact O-N 3.39Å; D290-T292 PolarHBondContact O-N 2.8Å; D290-S293 WeakPolarHBondContact O-CB 3.44Å; D290-S293 PolarHBondContact O-N 2.96Å; D290-S293 PolarHBondContact O-OG 2.96Å; D290-P296 WeakPolarHBondContact O-CA 3.46Å; D290-G297 PolarHBondContact OD1-N 2.84Å; D290-G297 PolarHBondContact OD2-N 3.47Å; D290-L300 HydrophobicContact CB-CD2 4.01Å; D290-L300 VanDerWaalsContact OD1-CD2 3.31Å; D290-L300 WeakPolarHBondContact OD1-CD2 3.24Å; D290-L300 WeakPolarHBondContact OD2-CD2 3.43Å; D290-K303 HydrophobicContact CB-CD 4.13Å; D290-K303 IonicContact OD1-NZ 3.56Å; D290-K303 PolarHBondContact OD1-NZ 3.49Å
291	E	97.1	Very high	95.4	Very high	137 Å²	137	40.9 Å²	40.9	64%	0.64	22%	0.215	S	C	*	.	H	α-helix	trans	-56.6	-35	-179.2	-74	172.3	-171.8	0	0	112.6	R287	R287-E291 WeakPolarHBondContact O-CB 3.02Å; R287-E291 VanDerWaalsContact O-CG 3.31Å; R287-E291 WeakPolarHBondContact O-CG 2.95Å; R287-E291 PolarHBondContact O-N 3.42Å
292	T	92.3	Very high	95.5	Very high	60 Å²	60	40.2 Å²	40.2	37%	0.368	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-10.6	179.3	63.1	0	0	0	0	112.7	V288 V289 D290 R339	V288-T292 WeakPolarHBondContact O-CB 3.3Å; V288-T292 WeakPolarHBondContact O-CG2 3.4Å; V288-T292 PolarHBondContact O-N 2.91Å; V288-T292 PolarHBondContact O-OG1 2.91Å; V289-T292 PolarHBondContact O-OG1 2.95Å; D290-T292 PolarHBondContact O-N 2.8Å; T292-R339 PolarHBondContact O-NH1 2.77Å; T292-R339 PolarHBondContact O-NH2 3.06Å; T292-R339 PolarHBondContact OG1-NH2 3.31Å
293	S	90.6	Very high	95.5	Very high	12 Å²	12	39.1 Å²	39.1	8%	0.084	21%	0.208	C	C	.	.	S	Bend	trans	-67.5	169.8	-175.7	97.3	0	0	0	0	112.7	V289 D290 N295 P296 K303	V289-S293 WeakPolarHBondContact O-CB 3Å; V289-S293 PolarHBondContact O-N 3.32Å; V289-S293 VanDerWaalsContact O-N 3.17Å; D290-S293 WeakPolarHBondContact O-CB 3.44Å; D290-S293 PolarHBondContact O-N 2.96Å; D290-S293 PolarHBondContact O-OG 2.96Å; S293-N295 PolarHBondContact O-N 3.23Å; S293-N295 PolarHBondContact OG-N 2.92Å; S293-N295 PolarHBondContact OG-O 2.64Å; S293-N295 PolarHBondContact OG-OD1 2.75Å; S293-P296 WeakPolarHBondContact O-CD 3.31Å; S293-K303 WeakPolarHBondContact OG-CE 3.46Å; S293-K303 PolarHBondContact OG-NZ 3.44Å
294	I	84.1	Confident	95.5	Very high	77 Å²	77	38.2 Å²	38.2	40%	0.395	20%	0.203	S	C	.	.	S	Bend	trans	-69.6	-10.4	174.4	59.4	165.5	0	0	0	113.5
295	N	86	Confident	95.5	Very high	29 Å²	29	34.1 Å²	34.1	16%	0.155	18%	0.184	C	C	.	.	S	Bend	trans	-145.1	65.5	-172.8	62.2	-32.9	0	0	0	110.4	S293 H298 Q299 K303	S293-N295 PolarHBondContact O-N 3.23Å; S293-N295 PolarHBondContact OG-N 2.92Å; S293-N295 PolarHBondContact OG-O 2.64Å; S293-N295 PolarHBondContact OG-OD1 2.75Å; N295-H298 HydrophobicContact CB-CB 4.22Å; N295-H298 PolarHBondContact O-N 3.22Å; N295-Q299 WeakPolarHBondContact ND2-CG 3.35Å; N295-K303 PolarHBondContact O-NZ 3.44Å
296	P	94.6	Very high	95.4	Very high	70 Å²	70	33.8 Å²	33.8	46%	0.455	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	141.4	178.6	-23	35.7	0	0	0	112.1	D290 S293 H298	D290-P296 WeakPolarHBondContact O-CA 3.46Å; S293-P296 WeakPolarHBondContact O-CD 3.31Å; P296-H298 PolarHBondContact O-CD2 2.88Å; P296-H298 PolarHBondContact O-N 3.37Å
297	G	95.7	Very high	95.2	Very high	34 Å²	34	34.2 Å²	34.2	35%	0.351	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	2.6	-177.1	0	0	0	0	0	114.7	D290	D290-G297 PolarHBondContact OD1-N 2.84Å; D290-G297 PolarHBondContact OD2-N 3.47Å
298	H	94.1	Very high	94.9	Very high	109 Å²	109	34.2 Å²	34.2	51%	0.505	19%	0.19	S	C	.	.	S	Bend	trans	-124.9	154.1	-177.4	-67.1	-68.1	0	0	0	113.1	D274 N295 P296 L300 K303	D274-H298 VanDerWaalsContact OD2-CA 3.26Å; D274-H298 WeakPolarHBondContact OD2-CA 3.33Å; D274-H298 IonicContact OD2-ND1 3.45Å; N295-H298 HydrophobicContact CB-CB 4.22Å; N295-H298 PolarHBondContact O-N 3.22Å; P296-H298 PolarHBondContact O-CD2 2.88Å; P296-H298 PolarHBondContact O-N 3.37Å; H298-L300 VanDerWaalsContact C-N 3.27Å; H298-L300 PolarHBondContact O-N 3.42Å; H298-K303 WeakPolarHBondContact O-CE 3.28Å; H298-K303 PolarHBondContact O-NZ 2.94Å
299	Q	94.9	Very high	94.8	Very high	13 Å²	13	32.1 Å²	32.1	6%	0.061	18%	0.176	C	C	.	.			trans	58.8	37.4	178.5	-59.5	-67.6	110.1	0	0	112.4	G270 D274 N295 Y301 E302 K303	G270-Q299 CarbonylContact O-C 3.48Å; G270-Q299 WeakPolarHBondContact O-CA 3.5Å; D274-Q299 PolarHBondContact OD1-N 2.9Å; D274-Q299 PolarHBondContact OD2-N 3.27Å; D274-Q299 VanDerWaalsContact OD2-N 3.09Å; N295-Q299 WeakPolarHBondContact ND2-CG 3.35Å; Q299-Y301 PolarHBondContact O-N 2.72Å; Q299-E302 HydrophobicContact CB-CB 4.2Å; Q299-E302 PolarHBondContact NE2-OE1 3.37Å; Q299-E302 PolarHBondContact O-N 3.32Å; Q299-K303 WeakPolarHBondContact O-CG 3.49Å; Q299-K303 PolarHBondContact O-N 2.85Å
300	L	97.7	Very high	94.8	Very high	10 Å²	10	32.1 Å²	32.1	5%	0.052	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-40.9	-170.6	-65.9	-172	0	0	0	112.9	G270 G273 D274 D290 H298 K303 I304	G270-L300 PolarHBondContact O-N 3.43Å; G273-L300 WeakPolarHBondContact O-CD1 3.44Å; D274-L300 WeakPolarHBondContact OD1-CG 3.26Å; D274-L300 PolarHBondContact OD1-N 3.03Å; D290-L300 HydrophobicContact CB-CD2 4.01Å; D290-L300 VanDerWaalsContact OD1-CD2 3.31Å; D290-L300 WeakPolarHBondContact OD1-CD2 3.24Å; D290-L300 WeakPolarHBondContact OD2-CD2 3.43Å; H298-L300 VanDerWaalsContact C-N 3.27Å; H298-L300 PolarHBondContact O-N 3.42Å; L300-K303 HydrophobicContact CD2-CD 4.43Å; L300-K303 PolarHBondContact O-N 3.44Å; L300-I304 PolarHBondContact O-N 3.17Å
301	Y	98.5	Very high	94.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.2	-40.1	175.8	-175.1	-117.2	0	0	0	112.7	M49 W269 G270 F272 L278 Q299 K303 I304 I305 M393 G397	M49-Y301 HydrophobicContact CE-CD1 4.13Å; M49-Y301 HydrophobicContact CE-CE1 3.71Å; W269-Y301 HydrophobicContact CD2-CE1 4.34Å; W269-Y301 HydrophobicContact CG-CE1 4.37Å; W269-Y301 WeakPolarHBondContact O-CD1 3.19Å; G270-Y301 PolarHBondContact O-N 2.98Å; F272-Y301 HydrophobicContact CB-CD1 4.34Å; F272-Y301 HydrophobicContact CB-CG 4.17Å; F272-Y301 HydrophobicContact CD1-CD1 4.35Å; F272-Y301 AromaticContact CD1-CD2 3.8Å; F272-Y301 HydrophobicContact CD1-CD2 3.8Å; F272-Y301 HydrophobicContact CD1-CE2 4.11Å; F272-Y301 AromaticContact CD1-CG 3.91Å; F272-Y301 HydrophobicContact CD1-CG 3.91Å; F272-Y301 HydrophobicContact CE1-CD2 4.45Å; F272-Y301 WeakPolarHBondContact O-CB 3.49Å; F272-Y301 PolarHBondContact O-N 3.45Å; F272-Y301 VanDerWaalsContact O-N 3.12Å; L278-Y301 HydrophobicContact CD1-CD2 3.68Å; L278-Y301 HydrophobicContact CD1-CG 4.26Å; Q299-Y301 PolarHBondContact O-N 2.72Å; Y301-K303 VanDerWaalsContact C-N 3.27Å; Y301-K303 PolarHBondContact O-N 3Å; Y301-I304 PolarHBondContact O-N 3.23Å; Y301-I305 HydrophobicContact CD1-CD1 3.79Å; Y301-I305 HydrophobicContact CD2-CD1 3.92Å; Y301-I305 HydrophobicContact CE1-CD1 3.39Å; Y301-I305 HydrophobicContact CE2-CD1 3.55Å; Y301-I305 HydrophobicContact CG-CD1 4.03Å; Y301-I305 PolarHBondContact O-N 2.92Å; Y301-M393 HydrophobicContact CD2-CE 4.15Å; Y301-M393 HydrophobicContact CE2-CB 4.22Å; Y301-M393 HydrophobicContact CE2-CE 4.03Å; Y301-M393 PolarHBondContact OH-O 3.08Å; Y301-G397 VanDerWaalsContact OH-CA 3.28Å; Y301-G397 WeakPolarHBondContact OH-CA 3.34Å; Y301-G397 PolarHBondContact OH-N 3.07Å
302	E	97.5	Very high	94.8	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.028	15%	0.146	C	C	.	.	H	α-helix	trans	-61.7	-35.3	174.2	177.4	176.4	82.5	0	0	112.2	G241 C242 G270 Q299 I304 I305 S306 Y309	G241-E302 WeakPolarHBondContact CA-OE2 3.24Å; C242-E302 HydrophobicContact CB-CG 4.38Å; C242-E302 PolarHBondContact N-OE2 2.95Å; G270-E302 PolarHBondContact O-N 3.24Å; Q299-E302 HydrophobicContact CB-CB 4.2Å; Q299-E302 PolarHBondContact NE2-OE1 3.37Å; Q299-E302 PolarHBondContact O-N 3.32Å; E302-I304 VanDerWaalsContact C-N 3.27Å; E302-I304 PolarHBondContact O-N 3.41Å; E302-I305 PolarHBondContact O-N 3.09Å; E302-S306 WeakPolarHBondContact CG-OG 3.37Å; E302-S306 WeakPolarHBondContact O-CB 3.42Å; E302-S306 PolarHBondContact O-N 3.44Å; E302-S306 PolarHBondContact O-OG 3.37Å; E302-Y309 HydrophobicContact CG-CE2 4.28Å
303	K	97.7	Very high	95.1	Very high	3 Å²	3	23 Å²	23	1%	0.013	13%	0.129	C	C	.	.	H	α-helix	trans	-65	-28.9	177.4	-74.8	172	-170.1	175.2	0	113.5	V289 D290 S293 N295 H298 Q299 L300 Y301 Y309	V289-K303 HydrophobicContact CG1-CB 4.42Å; V289-K303 HydrophobicContact CG1-CG 4.46Å; D290-K303 HydrophobicContact CB-CD 4.13Å; D290-K303 IonicContact OD1-NZ 3.56Å; D290-K303 PolarHBondContact OD1-NZ 3.49Å; S293-K303 WeakPolarHBondContact OG-CE 3.46Å; S293-K303 PolarHBondContact OG-NZ 3.44Å; N295-K303 PolarHBondContact O-NZ 3.44Å; H298-K303 WeakPolarHBondContact O-CE 3.28Å; H298-K303 PolarHBondContact O-NZ 2.94Å; Q299-K303 WeakPolarHBondContact O-CG 3.49Å; Q299-K303 PolarHBondContact O-N 2.85Å; L300-K303 HydrophobicContact CD2-CD 4.43Å; L300-K303 PolarHBondContact O-N 3.44Å; Y301-K303 VanDerWaalsContact C-N 3.27Å; Y301-K303 PolarHBondContact O-N 3Å; K303-Y309 VanDerWaalsContact CA-CD2 3.45Å; K303-Y309 HydrophobicContact CB-CD2 4.19Å; K303-Y309 HydrophobicContact CB-CE2 4.39Å; K303-Y309 HydrophobicContact CB-CG 4.24Å; K303-Y309 HydrophobicContact CD-CE1 4.5Å; K303-Y309 HydrophobicContact CG-CD1 4.01Å; K303-Y309 HydrophobicContact CG-CD2 3.96Å; K303-Y309 HydrophobicContact CG-CE1 3.79Å; K303-Y309 HydrophobicContact CG-CE2 3.72Å; K303-Y309 HydrophobicContact CG-CG 4.08Å; K303-Y309 WeakPolarHBondContact O-CB 3.48Å
304	I	98.3	Very high	95.5	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.015	13%	0.125	C	C	.	.	H	α-helix	trans	-77.1	-31.8	176.4	-64.5	167.6	0	0	0	111.2	L300 Y301 E302 S390 M393	L300-I304 PolarHBondContact O-N 3.17Å; Y301-I304 PolarHBondContact O-N 3.23Å; E302-I304 VanDerWaalsContact C-N 3.27Å; E302-I304 PolarHBondContact O-N 3.41Å; I304-S390 PolarHBondContact O-OG 3.12Å; I304-M393 HydrophobicContact CD1-CE 4.19Å; I304-M393 HydrophobicContact CG2-CB 4.36Å; I304-M393 HydrophobicContact CG2-CG 3.99Å
305	I	98.3	Very high	96.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-101.9	-45.7	-166	-65.6	166.7	0	0	0	113.7	V238 C242 Y301 E302 S390 M393 C394 F431	V238-I305 HydrophobicContact CG1-CG2 4.16Å; C242-I305 HydrophobicContact CB-CB 4.35Å; C242-I305 HydrophobicContact CB-CG2 4.05Å; Y301-I305 HydrophobicContact CD1-CD1 3.79Å; Y301-I305 HydrophobicContact CD2-CD1 3.92Å; Y301-I305 HydrophobicContact CE1-CD1 3.39Å; Y301-I305 HydrophobicContact CE2-CD1 3.55Å; Y301-I305 HydrophobicContact CG-CD1 4.03Å; Y301-I305 PolarHBondContact O-N 2.92Å; E302-I305 PolarHBondContact O-N 3.09Å; I305-S390 VanDerWaalsContact C-OG 3.31Å; I305-S390 VanDerWaalsContact CA-OG 3.22Å; I305-S390 WeakPolarHBondContact CA-OG 3.42Å; I305-S390 PolarHBondContact O-OG 2.9Å; I305-M393 HydrophobicContact CD1-CB 4.25Å; I305-M393 HydrophobicContact CG1-CB 4.13Å; I305-C394 HydrophobicContact CD1-CB 3.97Å; I305-C394 HydrophobicContact CG1-CB 4.22Å; I305-C394 HydrophobicContact CG2-CB 3.81Å; I305-F431 HydrophobicContact CG2-CZ 4.42Å
306	S	95.6	Very high	96.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-80.8	158.2	-158.4	66.9	0	0	0	0	113.8	T240 E302 K308 Y309 M310	T240-S306 WeakPolarHBondContact O-CB 3.47Å; T240-S306 PolarHBondContact O-OG 3.35Å; E302-S306 WeakPolarHBondContact CG-OG 3.37Å; E302-S306 WeakPolarHBondContact O-CB 3.42Å; E302-S306 PolarHBondContact O-N 3.44Å; E302-S306 PolarHBondContact O-OG 3.37Å; S306-K308 PolarHBondContact O-N 3.02Å; S306-K308 VanDerWaalsContact O-N 3.14Å; S306-Y309 PolarHBondContact O-N 2.94Å; S306-Y309 VanDerWaalsContact O-N 3.11Å; S306-Y309 WeakPolarHBondContact OG-CD2 3.35Å; S306-M310 PolarHBondContact O-N 3.02Å; S306-M310 VanDerWaalsContact O-N 3.12Å
307	G	94.1	Very high	97	Very high	13 Å²	13	16 Å²	16	13%	0.134	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-10	-178.3	0	0	0	0	0	114.3	G239 Y309 T344 V424	G239-G307 WeakPolarHBondContact O-CA 3.35Å; G239-G307 PolarHBondContact O-N 2.61Å; G307-Y309 VanDerWaalsContact C-N 3.31Å; G307-T344 VanDerWaalsContact O-CB 3.29Å; G307-T344 WeakPolarHBondContact O-CB 3.12Å; G307-T344 PolarHBondContact O-OG1 2.94Å; G307-V424 VanDerWaalsContact CA-CG2 3.44Å
308	K	91.8	Very high	97.1	Very high	74 Å²	74	14.4 Å²	14.4	32%	0.322	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-29.2	170.7	179.9	167.6	-177.4	168	0	112.6	K181 T240 S306	K181-K308 PolarHBondContact O-NZ 2.78Å; K181-K308 VanDerWaalsContact O-NZ 3.07Å; T240-K308 HydrophobicContact CG2-CB 4.06Å; T240-K308 HydrophobicContact CG2-CD 4.37Å; T240-K308 WeakPolarHBondContact O-CB 3.44Å; T240-K308 PolarHBondContact O-N 2.69Å; S306-K308 PolarHBondContact O-N 3.02Å; S306-K308 VanDerWaalsContact O-N 3.14Å
309	Y	96	Very high	97.4	Very high	12 Å²	12	10.8 Å²	10.8	5%	0.047	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-22	-170.1	-52.2	-78.8	0	0	0	113.5	V289 E302 K303 S306 G307 G311 E312 L313	V289-Y309 HydrophobicContact CG1-CD1 3.61Å; V289-Y309 HydrophobicContact CG1-CE1 4.42Å; V289-Y309 HydrophobicContact CG1-CG 4.16Å; E302-Y309 HydrophobicContact CG-CE2 4.28Å; K303-Y309 VanDerWaalsContact CA-CD2 3.45Å; K303-Y309 HydrophobicContact CB-CD2 4.19Å; K303-Y309 HydrophobicContact CB-CE2 4.39Å; K303-Y309 HydrophobicContact CB-CG 4.24Å; K303-Y309 HydrophobicContact CD-CE1 4.5Å; K303-Y309 HydrophobicContact CG-CD1 4.01Å; K303-Y309 HydrophobicContact CG-CD2 3.96Å; K303-Y309 HydrophobicContact CG-CE1 3.79Å; K303-Y309 HydrophobicContact CG-CE2 3.72Å; K303-Y309 HydrophobicContact CG-CG 4.08Å; K303-Y309 WeakPolarHBondContact O-CB 3.48Å; S306-Y309 PolarHBondContact O-N 2.94Å; S306-Y309 VanDerWaalsContact O-N 3.11Å; S306-Y309 WeakPolarHBondContact OG-CD2 3.35Å; G307-Y309 VanDerWaalsContact C-N 3.31Å; Y309-G311 VanDerWaalsContact C-N 3.34Å; Y309-G311 PolarHBondContact O-N 3.46Å; Y309-E312 PolarHBondContact O-N 3.26Å; Y309-L313 PolarHBondContact O-N 3.08Å
310	M	97.9	Very high	97.5	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-52.2	-46.2	-178.6	-173.8	-177.6	-72.6	0	0	113.7	S306 E312 L313 A314 T344 V347 V386 S390 V424 F431	S306-M310 PolarHBondContact O-N 3.02Å; S306-M310 VanDerWaalsContact O-N 3.12Å; M310-E312 PolarHBondContact O-N 3.41Å; M310-L313 PolarHBondContact O-N 3.41Å; M310-A314 PolarHBondContact O-N 3.23Å; M310-A314 VanDerWaalsContact O-N 3.07Å; M310-T344 HydrophobicContact CB-CG2 4.18Å; M310-T344 HydrophobicContact SD-CG2 4Å; M310-V347 HydrophobicContact CG-CG1 4.29Å; M310-V347 HydrophobicContact CG-CG2 4.29Å; M310-V347 HydrophobicContact SD-CB 4.41Å; M310-V347 HydrophobicContact SD-CG1 3.97Å; M310-V386 HydrophobicContact CG-CG1 4.03Å; M310-S390 WeakPolarHBondContact CE-OG 3.01Å; M310-V424 HydrophobicContact CE-CG1 3.87Å; M310-F431 HydrophobicContact CE-CD2 4.28Å; M310-F431 HydrophobicContact CE-CE2 4.25Å
311	G	97.9	Very high	97.6	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-63.5	-38.1	176.2	0	0	0	0	0	113.6	Y309 A314 R315 F342 T344	Y309-G311 VanDerWaalsContact C-N 3.34Å; Y309-G311 PolarHBondContact O-N 3.46Å; G311-A314 PolarHBondContact O-N 3.04Å; G311-R315 WeakPolarHBondContact O-CB 3.38Å; G311-R315 PolarHBondContact O-N 2.94Å; G311-F342 CarbonylContact C-O 3.53Å; G311-F342 WeakPolarHBondContact CA-O 3.24Å; G311-T344 PolarHBondContact N-OG1 3.46Å; G311-T344 VanDerWaalsContact N-OG1 3.16Å
312	E	98.2	Very high	97.5	Very high	16 Å²	16	12 Å²	12	8%	0.075	6%	0.058	C	C	.	.	H	α-helix	trans	-70.5	-37.4	177.8	-177.6	62.3	-172	0	0	111.9	V289 Y309 M310 R315 L316 G340	V289-E312 HydrophobicContact CG2-CB 4.41Å; V289-E312 HydrophobicContact CG2-CG 3.87Å; Y309-E312 PolarHBondContact O-N 3.26Å; M310-E312 PolarHBondContact O-N 3.41Å; E312-R315 VanDerWaalsContact CD-NE 3.29Å; E312-R315 WeakPolarHBondContact O-CB 3.25Å; E312-R315 PolarHBondContact O-N 3.16Å; E312-R315 IonicContact OE1-CZ 3.04Å; E312-R315 IonicContact OE1-NE 2.63Å; E312-R315 PolarHBondContact OE1-NE 3.23Å; E312-R315 VanDerWaalsContact OE1-NE 3.14Å; E312-R315 IonicContact OE1-NH2 3.77Å; E312-R315 PolarHBondContact OE1-NH2 2.78Å; E312-R315 WeakPolarHBondContact OE2-CD 3.48Å; E312-R315 IonicContact OE2-CZ 2.73Å; E312-R315 IonicContact OE2-NE 3.85Å; E312-R315 PolarHBondContact OE2-NE 2.95Å; E312-R315 IonicContact OE2-NH2 2.73Å; E312-L316 HydrophobicContact CG-CD1 4.26Å; E312-L316 WeakPolarHBondContact O-CG 3.29Å; E312-L316 PolarHBondContact O-N 3.42Å; E312-G340 PolarHBondContact OE2-N 3.39Å
313	L	98.7	Very high	97.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.6	-48.7	171.8	-72.1	170.3	0	0	0	110.8	D286 V289 Y309 M310 R315 L316 V317 V386	D286-L313 WeakPolarHBondContact OD1-CD2 3.13Å; V289-L313 HydrophobicContact CB-CD2 4.43Å; V289-L313 HydrophobicContact CG2-CD2 3.66Å; V289-L313 HydrophobicContact CG2-CG 4.08Å; Y309-L313 PolarHBondContact O-N 3.08Å; M310-L313 PolarHBondContact O-N 3.41Å; L313-R315 VanDerWaalsContact C-N 3.3Å; L313-R315 PolarHBondContact O-N 3.08Å; L313-L316 PolarHBondContact O-N 2.98Å; L313-V317 WeakPolarHBondContact O-CG2 3.26Å; L313-V317 PolarHBondContact O-N 3.29Å; L313-V386 HydrophobicContact CB-CG1 3.84Å; L313-V386 HydrophobicContact CB-CG2 4.49Å; L313-V386 HydrophobicContact CD1-CG1 4.35Å
314	A	98.7	Very high	97.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.6	-41.1	175.7	0	0	0	0	0	111.9	M310 G311 L316 V317 M318 F342 V347 V382 V386	M310-A314 PolarHBondContact O-N 3.23Å; M310-A314 VanDerWaalsContact O-N 3.07Å; G311-A314 PolarHBondContact O-N 3.04Å; A314-L316 PolarHBondContact O-N 3.35Å; A314-V317 PolarHBondContact O-N 3.01Å; A314-M318 WeakPolarHBondContact O-CG 3.45Å; A314-M318 PolarHBondContact O-N 2.75Å; A314-F342 HydrophobicContact CB-CD1 3.97Å; A314-F342 HydrophobicContact CB-CE1 4.01Å; A314-V347 HydrophobicContact CB-CG2 4.16Å; A314-V382 HydrophobicContact CB-CG1 4.25Å; A314-V386 HydrophobicContact CB-CG2 4.37Å
315	R	98.6	Very high	97.4	Very high	19 Å²	19	27 Å²	27	7%	0.072	14%	0.135	C	C	.	.	H	α-helix	trans	-58.9	-47.1	175.5	-163.7	-166.7	67.1	76.6	2.8	112.3	G311 E312 L313 M318 M319 L336 T338 F342	G311-R315 WeakPolarHBondContact O-CB 3.38Å; G311-R315 PolarHBondContact O-N 2.94Å; E312-R315 VanDerWaalsContact CD-NE 3.29Å; E312-R315 WeakPolarHBondContact O-CB 3.25Å; E312-R315 PolarHBondContact O-N 3.16Å; E312-R315 IonicContact OE1-CZ 3.04Å; E312-R315 IonicContact OE1-NE 2.63Å; E312-R315 PolarHBondContact OE1-NE 3.23Å; E312-R315 VanDerWaalsContact OE1-NE 3.14Å; E312-R315 IonicContact OE1-NH2 3.77Å; E312-R315 PolarHBondContact OE1-NH2 2.78Å; E312-R315 WeakPolarHBondContact OE2-CD 3.48Å; E312-R315 IonicContact OE2-CZ 2.73Å; E312-R315 IonicContact OE2-NE 3.85Å; E312-R315 PolarHBondContact OE2-NE 2.95Å; E312-R315 IonicContact OE2-NH2 2.73Å; L313-R315 VanDerWaalsContact C-N 3.3Å; L313-R315 PolarHBondContact O-N 3.08Å; R315-M318 WeakPolarHBondContact O-CB 3.4Å; R315-M318 PolarHBondContact O-N 3.28Å; R315-M319 WeakPolarHBondContact O-CG 3.48Å; R315-M319 PolarHBondContact O-N 3.04Å; R315-L336 VanDerWaalsContact CD-O 3.31Å; R315-L336 WeakPolarHBondContact CD-O 3.47Å; R315-L336 HydrophobicContact CG-CD1 3.99Å; R315-L336 WeakPolarHBondContact CG-O 3.32Å; R315-L336 PolarHBondContact NH1-O 3.37Å; R315-T338 VanDerWaalsContact CD-O 3.26Å; R315-T338 WeakPolarHBondContact CD-O 3.28Å; R315-F342 HydrophobicContact CB-CB 3.9Å; R315-F342 HydrophobicContact CG-CB 4.13Å
316	L	98.7	Very high	97.4	Very high	22 Å²	22	27.4 Å²	27.4	12%	0.115	14%	0.137	C	C	.	.	H	α-helix	trans	-66.6	-38.2	-178.2	-71.6	168.4	0	0	0	112	Y285 V288 V289 E312 L313 A314 M319 K320	Y285-L316 HydrophobicContact CD1-CB 3.91Å; V288-L316 HydrophobicContact CB-CD1 4.01Å; V288-L316 HydrophobicContact CG1-CD1 3.84Å; V288-L316 HydrophobicContact CG1-CD2 3.83Å; V289-L316 HydrophobicContact CG2-CD1 3.6Å; E312-L316 HydrophobicContact CG-CD1 4.26Å; E312-L316 WeakPolarHBondContact O-CG 3.29Å; E312-L316 PolarHBondContact O-N 3.42Å; L313-L316 PolarHBondContact O-N 2.98Å; A314-L316 PolarHBondContact O-N 3.35Å; L316-M319 PolarHBondContact O-N 3.18Å; L316-K320 PolarHBondContact O-N 3.42Å
317	V	98.6	Very high	97.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.2	-46.4	172.6	179.9	0	0	0	0	110.5	L32 F35 Y285 L313 A314 M319 K320 L321 V382 V386	L32-V317 HydrophobicContact CD2-CG1 3.75Å; F35-V317 HydrophobicContact CE1-CG2 4.29Å; F35-V317 HydrophobicContact CE2-CG2 3.77Å; F35-V317 HydrophobicContact CZ-CG2 3.32Å; Y285-V317 HydrophobicContact CD1-CG2 3.98Å; Y285-V317 HydrophobicContact CD2-CG2 4.05Å; Y285-V317 HydrophobicContact CE1-CB 4.34Å; Y285-V317 HydrophobicContact CE1-CG2 3.89Å; Y285-V317 HydrophobicContact CE2-CG2 4Å; Y285-V317 HydrophobicContact CG-CG2 4.02Å; L313-V317 WeakPolarHBondContact O-CG2 3.26Å; L313-V317 PolarHBondContact O-N 3.29Å; A314-V317 PolarHBondContact O-N 3.01Å; V317-M319 VanDerWaalsContact C-N 3.29Å; V317-M319 PolarHBondContact O-N 3.28Å; V317-K320 WeakPolarHBondContact O-CB 3.23Å; V317-K320 PolarHBondContact O-N 3.22Å; V317-K320 VanDerWaalsContact O-N 3.13Å; V317-L321 HydrophobicContact CG1-CD1 4.5Å; V317-L321 WeakPolarHBondContact O-CG 3.3Å; V317-L321 PolarHBondContact O-N 3.24Å; V317-V382 HydrophobicContact CB-CG1 3.79Å; V317-V382 HydrophobicContact CG1-CB 4.42Å; V317-V382 HydrophobicContact CG1-CG1 3.77Å; V317-V382 HydrophobicContact CG1-CG2 3.88Å; V317-V386 HydrophobicContact CG2-CG2 4.37Å
318	M	98.6	Very high	97.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-57.8	-42.3	174.4	-73.3	-174	-74.5	0	0	111.7	A314 R315 K320 L321 V322 L327 L336 F342 V379 V382	A314-M318 WeakPolarHBondContact O-CG 3.45Å; A314-M318 PolarHBondContact O-N 2.75Å; R315-M318 WeakPolarHBondContact O-CB 3.4Å; R315-M318 PolarHBondContact O-N 3.28Å; M318-K320 VanDerWaalsContact C-N 3.35Å; M318-K320 PolarHBondContact O-N 2.98Å; M318-L321 PolarHBondContact O-N 3.28Å; M318-V322 WeakPolarHBondContact O-CG2 3.29Å; M318-V322 PolarHBondContact O-N 3.17Å; M318-L327 HydrophobicContact CB-CD2 3.88Å; M318-L327 HydrophobicContact CG-CD2 3.93Å; M318-L336 HydrophobicContact CB-CD1 4.45Å; M318-L336 HydrophobicContact CE-CD1 3.93Å; M318-L336 HydrophobicContact SD-CD1 4.37Å; M318-F342 HydrophobicContact CE-CB 4.23Å; M318-F342 HydrophobicContact CE-CD1 3.84Å; M318-F342 HydrophobicContact CE-CD2 3.65Å; M318-F342 HydrophobicContact CE-CE1 4.01Å; M318-F342 HydrophobicContact CE-CE2 3.85Å; M318-F342 HydrophobicContact CE-CG 3.64Å; M318-F342 HydrophobicContact CE-CZ 4.02Å; M318-V379 HydrophobicContact CG-CG2 4.48Å; M318-V379 HydrophobicContact SD-CG1 4.05Å; M318-V379 HydrophobicContact SD-CG2 3.83Å; M318-V382 HydrophobicContact CG-CG1 4.16Å; M318-V382 HydrophobicContact CG-CG2 4.45Å
319	M	98.4	Very high	97.7	Very high	33 Å²	33	30.1 Å²	30.1	16%	0.163	15%	0.151	C	C	.	.	H	α-helix	trans	-61.7	-39.6	175.9	-74.3	-60.9	-55.7	0	0	112.6	R315 L316 V317 V322 N323 A332 L336 K337	R315-M319 WeakPolarHBondContact O-CG 3.48Å; R315-M319 PolarHBondContact O-N 3.04Å; L316-M319 PolarHBondContact O-N 3.18Å; V317-M319 VanDerWaalsContact C-N 3.29Å; V317-M319 PolarHBondContact O-N 3.28Å; M319-V322 PolarHBondContact O-N 2.83Å; M319-N323 PolarHBondContact O-N 3.29Å; M319-N323 PolarHBondContact O-ND2 3.47Å; M319-A332 HydrophobicContact CE-CB 4.13Å; M319-A332 HydrophobicContact SD-CB 3.8Å; M319-L336 HydrophobicContact SD-CD2 4.23Å; M319-L336 HydrophobicContact SD-CG 3.97Å; M319-K337 HydrophobicContact CE-CG 4.17Å; M319-K337 HydrophobicContact SD-CG 4.44Å
320	K	98.3	Very high	97.7	Very high	47 Å²	47	31.1 Å²	31.1	20%	0.204	17%	0.165	C	C	.	.	H	α-helix	trans	-62.1	-47.4	173	-176	-169.5	179.9	87.8	0	111	I31 E284 Y285 L316 V317 M318 V322 N323 E324	I31-K320 HydrophobicContact CD1-CD 4.46Å; I31-K320 HydrophobicContact CG2-CD 3.9Å; E284-K320 WeakPolarHBondContact OE1-CD 3.2Å; E284-K320 WeakPolarHBondContact OE1-CE 3.14Å; E284-K320 IonicContact OE1-NZ 2.75Å; E284-K320 PolarHBondContact OE1-NZ 3.32Å; E284-K320 IonicContact OE2-NZ 3.53Å; Y285-K320 HydrophobicContact CE1-CB 4Å; Y285-K320 HydrophobicContact CE1-CD 3.89Å; Y285-K320 WeakPolarHBondContact OH-CD 3.35Å; L316-K320 PolarHBondContact O-N 3.42Å; V317-K320 WeakPolarHBondContact O-CB 3.23Å; V317-K320 PolarHBondContact O-N 3.22Å; V317-K320 VanDerWaalsContact O-N 3.13Å; M318-K320 VanDerWaalsContact C-N 3.35Å; M318-K320 PolarHBondContact O-N 2.98Å; K320-V322 VanDerWaalsContact C-N 3.28Å; K320-V322 PolarHBondContact O-N 2.88Å; K320-N323 PolarHBondContact O-N 2.95Å; K320-N323 VanDerWaalsContact O-N 3.1Å; K320-E324 HydrophobicContact CG-CG 4.44Å; K320-E324 WeakPolarHBondContact O-CG 3.36Å; K320-E324 PolarHBondContact O-N 3.4Å
321	L	98.5	Very high	97.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.7	-37.1	178.6	-63.6	179.9	0	0	0	112.2	V28 I31 V317 M318 E324 N325 L326 L327 I378 V382	V28-L321 HydrophobicContact CG1-CD1 4.46Å; V28-L321 HydrophobicContact CG2-CD2 4.19Å; I31-L321 HydrophobicContact CB-CD2 4.4Å; I31-L321 HydrophobicContact CD1-CD2 3.63Å; I31-L321 HydrophobicContact CG2-CD2 4.25Å; V317-L321 HydrophobicContact CG1-CD1 4.5Å; V317-L321 WeakPolarHBondContact O-CG 3.3Å; V317-L321 PolarHBondContact O-N 3.24Å; M318-L321 PolarHBondContact O-N 3.28Å; L321-E324 PolarHBondContact O-N 2.93Å; L321-N325 PolarHBondContact O-N 3.36Å; L321-L326 HydrophobicContact CB-CB 4.27Å; L321-L326 HydrophobicContact CD2-CB 4.28Å; L321-L326 HydrophobicContact CD2-CD1 3.93Å; L321-L326 CarbonylContact O-C 3.58Å; L321-L326 WeakPolarHBondContact O-CA 3.37Å; L321-L326 WeakPolarHBondContact O-CB 3.41Å; L321-L326 PolarHBondContact O-N 2.95Å; L321-L327 HydrophobicContact CB-CB 3.78Å; L321-L327 HydrophobicContact CB-CD2 4.37Å; L321-L327 PolarHBondContact O-N 3.47Å; L321-I378 HydrophobicContact CD1-CG2 3.6Å; L321-V382 HydrophobicContact CD1-CG2 3.54Å
322	V	98.1	Very high	97.4	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	21%	0.205	C	C	.	.	H	α-helix	trans	-62.2	-49.1	171.8	173.2	0	0	0	0	110.5	M318 M319 K320 E324 N325 L327 F328 G330 A332 L336	M318-V322 WeakPolarHBondContact O-CG2 3.29Å; M318-V322 PolarHBondContact O-N 3.17Å; M319-V322 PolarHBondContact O-N 2.83Å; K320-V322 VanDerWaalsContact C-N 3.28Å; K320-V322 PolarHBondContact O-N 2.88Å; V322-E324 PolarHBondContact O-N 3.35Å; V322-N325 WeakPolarHBondContact O-CA 3.32Å; V322-N325 PolarHBondContact O-N 2.9Å; V322-L327 HydrophobicContact CG2-CB 3.98Å; V322-L327 HydrophobicContact CG2-CD2 4.18Å; V322-L327 HydrophobicContact CG2-CG 4.26Å; V322-F328 HydrophobicContact CG2-CB 4.5Å; V322-F328 HydrophobicContact CG2-CD2 3.74Å; V322-F328 HydrophobicContact CG2-CE2 4.48Å; V322-G330 VanDerWaalsContact CG1-C 3.41Å; V322-G330 WeakPolarHBondContact CG1-O 3.23Å; V322-G330 WeakPolarHBondContact O-CA 3.41Å; V322-A332 HydrophobicContact CG1-CB 4.02Å; V322-A332 HydrophobicContact CG2-CB 4.5Å; V322-L336 HydrophobicContact CG2-CD2 4.38Å
323	N	97.5	Very high	97.3	Very high	122 Å²	122	39 Å²	39	65%	0.652	21%	0.206	S	C	*	.	H	α-helix	trans	-62.2	-30.7	-178.6	-68.3	-21.5	0	0	0	113.3	M319 K320 N325	M319-N323 PolarHBondContact O-N 3.29Å; M319-N323 PolarHBondContact O-ND2 3.47Å; K320-N323 PolarHBondContact O-N 2.95Å; K320-N323 VanDerWaalsContact O-N 3.1Å; N323-N325 PolarHBondContact O-N 2.95Å
324	E	97.2	Very high	97.2	Very high	103 Å²	103	45 Å²	45	48%	0.481	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	7.2	174	-63	-63.9	160.3	0	0	113	I31 K320 L321 V322 L326	I31-E324 HydrophobicContact CD1-CG 4.49Å; K320-E324 HydrophobicContact CG-CG 4.44Å; K320-E324 WeakPolarHBondContact O-CG 3.36Å; K320-E324 PolarHBondContact O-N 3.4Å; L321-E324 PolarHBondContact O-N 2.93Å; V322-E324 PolarHBondContact O-N 3.35Å; E324-L326 HydrophobicContact CB-CD1 3.86Å; E324-L326 HydrophobicContact CB-CG 3.89Å; E324-L326 PolarHBondContact O-N 3.22Å
325	N	96.7	Very high	97	Very high	102 Å²	102	49.4 Å²	49.4	55%	0.545	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	24.9	-175.9	-161.6	36.5	0	0	0	114	L321 V322 N323 N329 G330	L321-N325 PolarHBondContact O-N 3.36Å; V322-N325 WeakPolarHBondContact O-CA 3.32Å; V322-N325 PolarHBondContact O-N 2.9Å; N323-N325 PolarHBondContact O-N 2.95Å; N325-N329 PolarHBondContact OD1-O 3.11Å; N325-G330 PolarHBondContact OD1-N 3.33Å
326	L	97.3	Very high	96.8	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.042	25%	0.252	C	S	.	.	S	Bend	trans	-95.1	-8.6	179.1	-59.4	174.6	0	0	0	112.9	K24 M27 V28 I31 L321 E324 I378	K24-L326 WeakPolarHBondContact CE-O 3.3Å; K24-L326 HydrophobicContact CG-CD2 3.87Å; K24-L326 PolarHBondContact NZ-O 3.23Å; M27-L326 HydrophobicContact CB-CD1 3.88Å; M27-L326 HydrophobicContact CB-CD2 3.91Å; M27-L326 HydrophobicContact CE-CD2 4.26Å; M27-L326 HydrophobicContact SD-CD2 4.02Å; V28-L326 HydrophobicContact CG2-CB 4.07Å; V28-L326 HydrophobicContact CG2-CD1 4.24Å; I31-L326 HydrophobicContact CD1-CD1 3.73Å; L321-L326 HydrophobicContact CB-CB 4.27Å; L321-L326 HydrophobicContact CD2-CB 4.28Å; L321-L326 HydrophobicContact CD2-CD1 3.93Å; L321-L326 CarbonylContact O-C 3.58Å; L321-L326 WeakPolarHBondContact O-CA 3.37Å; L321-L326 WeakPolarHBondContact O-CB 3.41Å; L321-L326 PolarHBondContact O-N 2.95Å; E324-L326 HydrophobicContact CB-CD1 3.86Å; E324-L326 HydrophobicContact CB-CG 3.89Å; E324-L326 PolarHBondContact O-N 3.22Å; L326-I378 WeakPolarHBondContact O-CD1 3.29Å
327	L	97.4	Very high	96.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-143	140.9	179.4	-170.4	67.9	0	0	0	110.5	M318 L321 V322 N329 G330 D375 I378 V379	M318-L327 HydrophobicContact CB-CD2 3.88Å; M318-L327 HydrophobicContact CG-CD2 3.93Å; L321-L327 HydrophobicContact CB-CB 3.78Å; L321-L327 HydrophobicContact CB-CD2 4.37Å; L321-L327 PolarHBondContact O-N 3.47Å; V322-L327 HydrophobicContact CG2-CB 3.98Å; V322-L327 HydrophobicContact CG2-CD2 4.18Å; V322-L327 HydrophobicContact CG2-CG 4.26Å; L327-N329 PolarHBondContact O-N 3.45Å; L327-N329 VanDerWaalsContact O-N 3.09Å; L327-G330 PolarHBondContact O-N 3.16Å; L327-D375 HydrophobicContact CD1-CB 3.83Å; L327-I378 HydrophobicContact CD1-CB 4.07Å; L327-I378 HydrophobicContact CD1-CG2 3.84Å; L327-V379 HydrophobicContact CD1-CG2 4.08Å; L327-V379 HydrophobicContact CD2-CG2 4.2Å
328	F	96.8	Very high	96.6	Very high	14 Å²	14	56.4 Å²	56.4	6%	0.061	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	52.3	33	176	-49.4	-44.8	0	0	0	114.7	V322 G330 E331 L336 L364 V369 P371 D375 V379	V322-F328 HydrophobicContact CG2-CB 4.5Å; V322-F328 HydrophobicContact CG2-CD2 3.74Å; V322-F328 HydrophobicContact CG2-CE2 4.48Å; F328-G330 PolarHBondContact O-N 3.14Å; F328-G330 VanDerWaalsContact O-N 3.13Å; F328-E331 WeakPolarHBondContact CB-O 3.47Å; F328-E331 PolarHBondContact O-N 3.3Å; F328-L336 HydrophobicContact CD2-CD2 4.04Å; F328-L336 HydrophobicContact CE2-CD2 3.77Å; F328-L364 HydrophobicContact CE1-CD1 4.13Å; F328-L364 HydrophobicContact CZ-CD1 4.19Å; F328-L364 HydrophobicContact CZ-CD2 3.86Å; F328-V369 HydrophobicContact CD1-CB 4.38Å; F328-V369 HydrophobicContact CD1-CG2 4.31Å; F328-V369 HydrophobicContact CD2-CG1 4.19Å; F328-V369 HydrophobicContact CE1-CB 4.49Å; F328-V369 HydrophobicContact CE1-CG2 3.94Å; F328-V369 HydrophobicContact CE2-CG1 4.44Å; F328-V369 HydrophobicContact CE2-CG2 4.36Å; F328-V369 HydrophobicContact CG-CB 4.5Å; F328-V369 HydrophobicContact CG-CG1 4.35Å; F328-V369 HydrophobicContact CZ-CG2 3.99Å; F328-P371 HydrophobicContact CE1-CB 4.08Å; F328-D375 HydrophobicContact CD1-CB 3.87Å; F328-D375 HydrophobicContact CE1-CB 3.67Å; F328-D375 PolarHBondContact N-OD1 2.95Å; F328-V379 HydrophobicContact CZ-CG2 3.97Å
329	N	94.1	Very high	96.4	Very high	130 Å²	130	62.5 Å²	62.5	70%	0.695	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	52.1	32.1	-176.7	-53.7	-49.6	0	0	0	113.9	N325 L327 E331	N325-N329 PolarHBondContact OD1-O 3.11Å; L327-N329 PolarHBondContact O-N 3.45Å; L327-N329 VanDerWaalsContact O-N 3.09Å; N329-E331 VanDerWaalsContact C-N 3.31Å; N329-E331 PolarHBondContact O-N 3.43Å
330	G	95.6	Very high	96.1	Very high	33 Å²	33	63 Å²	63	34%	0.34	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	81.7	5.5	178.5	0	0	0	0	0	115.1	V322 N325 L327 F328	V322-G330 VanDerWaalsContact CG1-C 3.41Å; V322-G330 WeakPolarHBondContact CG1-O 3.23Å; V322-G330 WeakPolarHBondContact O-CA 3.41Å; N325-G330 PolarHBondContact OD1-N 3.33Å; L327-G330 PolarHBondContact O-N 3.16Å; F328-G330 PolarHBondContact O-N 3.14Å; F328-G330 VanDerWaalsContact O-N 3.13Å
331	E	95.6	Very high	95.9	Very high	156 Å²	156	61.7 Å²	61.7	73%	0.729	33%	0.328	S	S	*	.			trans	-117.2	107.8	-177.2	-64.6	-171.7	175.8	0	0	112.1	F328 N329	F328-E331 WeakPolarHBondContact CB-O 3.47Å; F328-E331 PolarHBondContact O-N 3.3Å; N329-E331 VanDerWaalsContact C-N 3.31Å; N329-E331 PolarHBondContact O-N 3.43Å
332	A	94.6	Very high	95.8	Very high	15 Å²	15	61.8 Å²	61.8	12%	0.124	33%	0.329	C	S	.	.			trans	-82.5	143.5	171.1	0	0	0	0	0	111.6	M319 V322 L336 K337	M319-A332 HydrophobicContact CE-CB 4.13Å; M319-A332 HydrophobicContact SD-CB 3.8Å; V322-A332 HydrophobicContact CG1-CB 4.02Å; V322-A332 HydrophobicContact CG2-CB 4.5Å; A332-L336 HydrophobicContact CB-CB 4.46Å; A332-L336 HydrophobicContact CB-CD2 4.08Å; A332-K337 HydrophobicContact CB-CG 4.03Å; A332-K337 WeakPolarHBondContact O-CE 3.45Å; A332-K337 PolarHBondContact O-NZ 3.37Å
333	S	95.9	Very high	95.7	Very high	14 Å²	14	66 Å²	66	10%	0.098	35%	0.348	C	S	.	.			trans	-70.6	162.7	167.6	66.2	0	0	0	0	112.3	Q335 L336 K337 L367	S333-Q335 VanDerWaalsContact C-N 3.27Å; S333-Q335 PolarHBondContact O-N 2.87Å; S333-L336 PolarHBondContact O-N 3.17Å; S333-L336 WeakPolarHBondContact OG-CB 3.46Å; S333-L336 PolarHBondContact OG-N 3.43Å; S333-K337 WeakPolarHBondContact O-CG 3.24Å; S333-K337 PolarHBondContact O-N 3.47Å; S333-L367 WeakPolarHBondContact CB-O 3.43Å; S333-L367 PolarHBondContact OG-O 3.04Å
334	E	95.6	Very high	95.6	Very high	125 Å²	125	61.3 Å²	61.3	58%	0.584	32%	0.324	S	S	*	.	H	α-helix	trans	-62.2	-35.4	175.9	-65.8	-54.5	116.3	0	0	112.2	K337 T338	E334-K337 PolarHBondContact O-N 2.99Å; E334-K337 IonicContact OE1-NZ 2.87Å; E334-K337 PolarHBondContact OE1-NZ 2.86Å; E334-T338 PolarHBondContact O-N 2.96Å; E334-T338 PolarHBondContact O-OG1 3.48Å
335	Q	94.8	Very high	95.5	Very high	92 Å²	92	62.6 Å²	62.6	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-64.4	-42.1	175.3	-67	79.1	-4.6	0	0	111.4	S333 K337 T338 L367	S333-Q335 VanDerWaalsContact C-N 3.27Å; S333-Q335 PolarHBondContact O-N 2.87Å; Q335-K337 VanDerWaalsContact C-N 3.35Å; Q335-T338 WeakPolarHBondContact O-CB 3.11Å; Q335-T338 PolarHBondContact O-N 3.04Å; Q335-L367 HydrophobicContact CB-CD2 4.38Å; Q335-L367 PolarHBondContact OE1-O 3.17Å
336	L	95.3	Very high	95.5	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-70.4	-32.2	179	-168.9	68.8	0	0	0	112.2	R315 M318 M319 V322 F328 A332 S333 T338	R315-L336 VanDerWaalsContact CD-O 3.31Å; R315-L336 WeakPolarHBondContact CD-O 3.47Å; R315-L336 HydrophobicContact CG-CD1 3.99Å; R315-L336 WeakPolarHBondContact CG-O 3.32Å; R315-L336 PolarHBondContact NH1-O 3.37Å; M318-L336 HydrophobicContact CB-CD1 4.45Å; M318-L336 HydrophobicContact CE-CD1 3.93Å; M318-L336 HydrophobicContact SD-CD1 4.37Å; M319-L336 HydrophobicContact SD-CD2 4.23Å; M319-L336 HydrophobicContact SD-CG 3.97Å; V322-L336 HydrophobicContact CG2-CD2 4.38Å; F328-L336 HydrophobicContact CD2-CD2 4.04Å; F328-L336 HydrophobicContact CE2-CD2 3.77Å; A332-L336 HydrophobicContact CB-CB 4.46Å; A332-L336 HydrophobicContact CB-CD2 4.08Å; S333-L336 PolarHBondContact O-N 3.17Å; S333-L336 WeakPolarHBondContact OG-CB 3.46Å; S333-L336 PolarHBondContact OG-N 3.43Å; L336-T338 VanDerWaalsContact C-N 3.26Å; L336-T338 PolarHBondContact O-N 2.93Å
337	K	96.4	Very high	95.6	Very high	103 Å²	103	58 Å²	58	45%	0.448	30%	0.3	S	S	.	.	H	α-helix	trans	-68.5	-25.9	171.8	-68.2	171.6	-165.2	164.3	0	112.6	M319 A332 S333 E334 Q335	M319-K337 HydrophobicContact CE-CG 4.17Å; M319-K337 HydrophobicContact SD-CG 4.44Å; A332-K337 HydrophobicContact CB-CG 4.03Å; A332-K337 WeakPolarHBondContact O-CE 3.45Å; A332-K337 PolarHBondContact O-NZ 3.37Å; S333-K337 WeakPolarHBondContact O-CG 3.24Å; S333-K337 PolarHBondContact O-N 3.47Å; E334-K337 PolarHBondContact O-N 2.99Å; E334-K337 IonicContact OE1-NZ 2.87Å; E334-K337 PolarHBondContact OE1-NZ 2.86Å; Q335-K337 VanDerWaalsContact C-N 3.35Å
338	T	96	Very high	95.6	Very high	82 Å²	82	58.9 Å²	58.9	50%	0.503	31%	0.305	S	S	.	.	S	Bend	trans	-76.7	126.5	-178.7	-58.7	0	0	0	0	110.6	R315 E334 Q335 L336 G340 G341	R315-T338 VanDerWaalsContact CD-O 3.26Å; R315-T338 WeakPolarHBondContact CD-O 3.28Å; E334-T338 PolarHBondContact O-N 2.96Å; E334-T338 PolarHBondContact O-OG1 3.48Å; Q335-T338 WeakPolarHBondContact O-CB 3.11Å; Q335-T338 PolarHBondContact O-N 3.04Å; L336-T338 VanDerWaalsContact C-N 3.26Å; L336-T338 PolarHBondContact O-N 2.93Å; T338-G340 PolarHBondContact O-N 3.46Å; T338-G341 WeakPolarHBondContact O-CA 3.21Å; T338-G341 PolarHBondContact O-N 3.04Å
339	R	94	Very high	95.6	Very high	129 Å²	129	61.4 Å²	61.4	49%	0.487	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	134.3	174.2	-179.1	-179.3	-176.6	-167.1	9.4	111	T292 G341	T292-R339 PolarHBondContact O-NH1 2.77Å; T292-R339 PolarHBondContact O-NH2 3.06Å; T292-R339 PolarHBondContact OG1-NH2 3.31Å; R339-G341 PolarHBondContact O-N 3.07Å
340	G	91.8	Very high	95.8	Very high	44 Å²	44	55.2 Å²	55.2	45%	0.454	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	4.8	-176.1	0	0	0	0	0	113.9	E312 T338 F342	E312-G340 PolarHBondContact OE2-N 3.39Å; T338-G340 PolarHBondContact O-N 3.46Å; G340-F342 PolarHBondContact O-N 2.72Å
341	G	94.6	Very high	95.9	Very high	19 Å²	19	53.6 Å²	53.6	20%	0.196	27%	0.268	C	S	.	.			trans	-65.8	-14.8	177.1	0	0	0	0	0	114	T338 R339 L367	T338-G341 WeakPolarHBondContact O-CA 3.21Å; T338-G341 PolarHBondContact O-N 3.04Å; R339-G341 PolarHBondContact O-N 3.07Å; G341-L367 WeakPolarHBondContact O-CD2 3.4Å
342	F	97.2	Very high	95.8	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.009	25%	0.252	C	S	.	.	S	Bend	trans	-115.1	103.1	171.5	-161.5	-103	0	0	0	110.2	G311 A314 R315 M318 G340 F346 V347 V350 I363 L367	G311-F342 CarbonylContact C-O 3.53Å; G311-F342 WeakPolarHBondContact CA-O 3.24Å; A314-F342 HydrophobicContact CB-CD1 3.97Å; A314-F342 HydrophobicContact CB-CE1 4.01Å; R315-F342 HydrophobicContact CB-CB 3.9Å; R315-F342 HydrophobicContact CG-CB 4.13Å; M318-F342 HydrophobicContact CE-CB 4.23Å; M318-F342 HydrophobicContact CE-CD1 3.84Å; M318-F342 HydrophobicContact CE-CD2 3.65Å; M318-F342 HydrophobicContact CE-CE1 4.01Å; M318-F342 HydrophobicContact CE-CE2 3.85Å; M318-F342 HydrophobicContact CE-CG 3.64Å; M318-F342 HydrophobicContact CE-CZ 4.02Å; G340-F342 PolarHBondContact O-N 2.72Å; F342-F346 HydrophobicContact CD1-CB 4.41Å; F342-F346 HydrophobicContact CD2-CB 4.17Å; F342-F346 AromaticContact CD2-CD2 3.96Å; F342-F346 HydrophobicContact CD2-CD2 3.96Å; F342-F346 HydrophobicContact CD2-CG 4.5Å; F342-F346 HydrophobicContact CE1-CB 3.92Å; F342-F346 HydrophobicContact CE2-CB 3.65Å; F342-F346 HydrophobicContact CE2-CD2 4.18Å; F342-F346 HydrophobicContact CE2-CG 4.28Å; F342-F346 HydrophobicContact CG-CD2 4.37Å; F342-F346 HydrophobicContact CZ-CB 3.52Å; F342-V347 HydrophobicContact CD1-CG2 4.19Å; F342-V347 HydrophobicContact CE1-CG2 3.7Å; F342-V350 HydrophobicContact CZ-CG2 4.48Å; F342-I363 HydrophobicContact CE2-CG2 4.18Å; F342-L367 HydrophobicContact CD2-CD1 3.58Å; F342-L367 HydrophobicContact CE2-CD1 3.89Å
343	E	95.3	Very high	95.8	Very high	89 Å²	89	48.4 Å²	48.4	42%	0.416	25%	0.248	S	C	.	.			trans	-78.5	152.2	-178.4	-62.8	175.2	-127.2	0	0	112.2	R345 F346	E343-R345 HydrophobicContact CB-CG 3.9Å; E343-R345 VanDerWaalsContact CD-NE 3.32Å; E343-R345 PolarHBondContact O-N 3.35Å; E343-R345 VanDerWaalsContact O-N 3.12Å; E343-R345 IonicContact OE1-CZ 3.25Å; E343-R345 IonicContact OE1-NE 2.71Å; E343-R345 PolarHBondContact OE1-NE 3.46Å; E343-R345 IonicContact OE1-NH2 2.66Å; E343-R345 PolarHBondContact OE1-NH2 2.89Å; E343-R345 WeakPolarHBondContact OE2-CD 3.3Å; E343-R345 IonicContact OE2-CZ 2.78Å; E343-R345 IonicContact OE2-NE 2.84Å; E343-R345 PolarHBondContact OE2-NE 3.34Å; E343-R345 IonicContact OE2-NH2 2.69Å; E343-F346 HydrophobicContact CB-CD2 4.1Å; E343-F346 HydrophobicContact CB-CE2 4.25Å; E343-F346 HydrophobicContact CG-CE2 4.41Å; E343-F346 VanDerWaalsContact O-CB 3.31Å; E343-F346 WeakPolarHBondContact O-CB 3.34Å; E343-F346 PolarHBondContact O-N 3.46Å
344	T	95.2	Very high	95.4	Very high	25 Å²	25	52.8 Å²	52.8	15%	0.153	28%	0.278	C	S	.	.	H	α-helix	trans	-57.6	-29	177.1	-63.1	0	0	0	0	113.7	G307 M310 G311 F346 V347 S348 V424	G307-T344 VanDerWaalsContact O-CB 3.29Å; G307-T344 WeakPolarHBondContact O-CB 3.12Å; G307-T344 PolarHBondContact O-OG1 2.94Å; M310-T344 HydrophobicContact CB-CG2 4.18Å; M310-T344 HydrophobicContact SD-CG2 4Å; G311-T344 PolarHBondContact N-OG1 3.46Å; G311-T344 VanDerWaalsContact N-OG1 3.16Å; T344-F346 PolarHBondContact O-N 3.46Å; T344-V347 WeakPolarHBondContact O-CB 3.48Å; T344-V347 PolarHBondContact O-N 3.39Å; T344-V347 VanDerWaalsContact O-N 3.11Å; T344-S348 PolarHBondContact O-N 3.2Å; T344-V424 HydrophobicContact CG2-CG2 4.46Å
345	R	95.7	Very high	95	Very high	130 Å²	130	49.2 Å²	49.2	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-59.9	-31.4	172.8	64.8	176	172.2	122.9	3.6	112.5	E343 Q349	E343-R345 HydrophobicContact CB-CG 3.9Å; E343-R345 VanDerWaalsContact CD-NE 3.32Å; E343-R345 PolarHBondContact O-N 3.35Å; E343-R345 VanDerWaalsContact O-N 3.12Å; E343-R345 IonicContact OE1-CZ 3.25Å; E343-R345 IonicContact OE1-NE 2.71Å; E343-R345 PolarHBondContact OE1-NE 3.46Å; E343-R345 IonicContact OE1-NH2 2.66Å; E343-R345 PolarHBondContact OE1-NH2 2.89Å; E343-R345 WeakPolarHBondContact OE2-CD 3.3Å; E343-R345 IonicContact OE2-CZ 2.78Å; E343-R345 IonicContact OE2-NE 2.84Å; E343-R345 PolarHBondContact OE2-NE 3.34Å; E343-R345 IonicContact OE2-NH2 2.69Å; R345-Q349 VanDerWaalsContact O-CB 3.31Å; R345-Q349 WeakPolarHBondContact O-CB 3.45Å; R345-Q349 WeakPolarHBondContact O-CG 3.39Å; R345-Q349 PolarHBondContact O-N 2.76Å
346	F	97.4	Very high	94.9	Very high	14 Å²	14	48.5 Å²	48.5	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-70.6	-36	176.3	-61.7	-39.7	0	0	0	111.6	F342 E343 T344 Q349 V350 I363 L367	F342-F346 HydrophobicContact CD1-CB 4.41Å; F342-F346 HydrophobicContact CD2-CB 4.17Å; F342-F346 AromaticContact CD2-CD2 3.96Å; F342-F346 HydrophobicContact CD2-CD2 3.96Å; F342-F346 HydrophobicContact CD2-CG 4.5Å; F342-F346 HydrophobicContact CE1-CB 3.92Å; F342-F346 HydrophobicContact CE2-CB 3.65Å; F342-F346 HydrophobicContact CE2-CD2 4.18Å; F342-F346 HydrophobicContact CE2-CG 4.28Å; F342-F346 HydrophobicContact CG-CD2 4.37Å; F342-F346 HydrophobicContact CZ-CB 3.52Å; E343-F346 HydrophobicContact CB-CD2 4.1Å; E343-F346 HydrophobicContact CB-CE2 4.25Å; E343-F346 HydrophobicContact CG-CE2 4.41Å; E343-F346 VanDerWaalsContact O-CB 3.31Å; E343-F346 WeakPolarHBondContact O-CB 3.34Å; E343-F346 PolarHBondContact O-N 3.46Å; T344-F346 PolarHBondContact O-N 3.46Å; F346-Q349 PolarHBondContact O-N 3.39Å; F346-V350 WeakPolarHBondContact O-CB 3.38Å; F346-V350 VanDerWaalsContact O-CG2 3.24Å; F346-V350 WeakPolarHBondContact O-CG2 3.32Å; F346-V350 PolarHBondContact O-N 3.17Å; F346-I363 HydrophobicContact CB-CG2 4.01Å; F346-I363 HydrophobicContact CD1-CD1 4.24Å; F346-I363 HydrophobicContact CD1-CG1 4.06Å; F346-I363 HydrophobicContact CD1-CG2 3.75Å; F346-I363 HydrophobicContact CD2-CG2 4.33Å; F346-I363 HydrophobicContact CE1-CG2 4.28Å; F346-I363 HydrophobicContact CG-CG2 3.79Å; F346-L367 HydrophobicContact CE2-CD2 4.29Å
347	V	98.1	Very high	94.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.1	-53.4	172.7	-177.1	0	0	0	0	110	M310 A314 F342 T344 Q349 V350 E351 C383	M310-V347 HydrophobicContact CG-CG1 4.29Å; M310-V347 HydrophobicContact CG-CG2 4.29Å; M310-V347 HydrophobicContact SD-CB 4.41Å; M310-V347 HydrophobicContact SD-CG1 3.97Å; A314-V347 HydrophobicContact CB-CG2 4.16Å; F342-V347 HydrophobicContact CD1-CG2 4.19Å; F342-V347 HydrophobicContact CE1-CG2 3.7Å; T344-V347 WeakPolarHBondContact O-CB 3.48Å; T344-V347 PolarHBondContact O-N 3.39Å; T344-V347 VanDerWaalsContact O-N 3.11Å; V347-Q349 VanDerWaalsContact C-N 3.31Å; V347-Q349 PolarHBondContact O-N 3.4Å; V347-V350 PolarHBondContact O-N 2.83Å; V347-E351 PolarHBondContact O-N 2.93Å; V347-E351 VanDerWaalsContact O-N 3.14Å; V347-C383 HydrophobicContact CG1-CB 3.96Å
348	S	97	Very high	94.9	Very high	17 Å²	17	53 Å²	53	12%	0.119	29%	0.292	C	S	.	.	H	α-helix	trans	-60	-40.4	177.8	-56.6	0	0	0	0	112.7	T344 S352 H428	T344-S348 PolarHBondContact O-N 3.2Å; S348-S352 WeakPolarHBondContact O-CB 3.42Å; S348-S352 PolarHBondContact O-N 3.16Å; S348-S352 PolarHBondContact O-OG 3.48Å; S348-H428 PolarHBondContact OG-CD2 3Å; S348-H428 VanDerWaalsContact OG-CD2 3.3Å
349	Q	97.4	Very high	94.9	Very high	67 Å²	67	52.1 Å²	52.1	31%	0.313	28%	0.282	S	S	.	.	H	α-helix	trans	-69.2	-40.6	-179.4	-79.1	177.9	-8.7	0	0	112.7	R345 F346 V347 S352 D353 Q359 I363	R345-Q349 VanDerWaalsContact O-CB 3.31Å; R345-Q349 WeakPolarHBondContact O-CB 3.45Å; R345-Q349 WeakPolarHBondContact O-CG 3.39Å; R345-Q349 PolarHBondContact O-N 2.76Å; F346-Q349 PolarHBondContact O-N 3.39Å; V347-Q349 VanDerWaalsContact C-N 3.31Å; V347-Q349 PolarHBondContact O-N 3.4Å; Q349-S352 WeakPolarHBondContact CA-OG 3.25Å; Q349-S352 PolarHBondContact O-N 2.89Å; Q349-S352 PolarHBondContact O-OG 3.05Å; Q349-D353 PolarHBondContact O-N 3.41Å; Q349-Q359 VanDerWaalsContact CB-NE2 3.26Å; Q349-Q359 PolarHBondContact O-NE2 2.78Å; Q349-Q359 VanDerWaalsContact O-NE2 3.13Å; Q349-Q359 PolarHBondContact O-OE1 2.85Å; Q349-I363 HydrophobicContact CB-CD1 3.65Å
350	V	97.9	Very high	95	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.6	-45.3	176	164.5	0	0	0	0	110.5	F342 F346 V347 S352 D353 I360 I363 V379 R380 C383	F342-V350 HydrophobicContact CZ-CG2 4.48Å; F346-V350 WeakPolarHBondContact O-CB 3.38Å; F346-V350 VanDerWaalsContact O-CG2 3.24Å; F346-V350 WeakPolarHBondContact O-CG2 3.32Å; F346-V350 PolarHBondContact O-N 3.17Å; V347-V350 PolarHBondContact O-N 2.83Å; V350-S352 VanDerWaalsContact C-N 3.29Å; V350-S352 PolarHBondContact O-N 3.34Å; V350-D353 WeakPolarHBondContact O-CB 2.89Å; V350-D353 PolarHBondContact O-N 2.88Å; V350-I360 HydrophobicContact CB-CG1 4.41Å; V350-I360 HydrophobicContact CG1-CD1 4.13Å; V350-I360 HydrophobicContact CG1-CG1 4.1Å; V350-I360 HydrophobicContact CG2-CG1 4.3Å; V350-I360 HydrophobicContact CG2-CG2 4.41Å; V350-I363 HydrophobicContact CG2-CD1 4.06Å; V350-V379 HydrophobicContact CG1-CG1 4.4Å; V350-V379 HydrophobicContact CG2-CG1 4.34Å; V350-R380 HydrophobicContact CG1-CB 4.08Å; V350-R380 HydrophobicContact CG1-CG 4.36Å; V350-C383 HydrophobicContact CB-CB 4.39Å; V350-C383 HydrophobicContact CG1-CB 3.97Å
351	E	97.3	Very high	95.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-69.8	-26.6	177.9	-73.9	-170.1	-117.8	0	0	112.8	V347 D353 C383 E384 S387 H428 P429 Y430 R434	V347-E351 PolarHBondContact O-N 2.93Å; V347-E351 VanDerWaalsContact O-N 3.14Å; E351-D353 VanDerWaalsContact C-N 3.25Å; E351-D353 PolarHBondContact O-N 2.83Å; E351-C383 HydrophobicContact CG-CB 4.16Å; E351-E384 HydrophobicContact CG-CG 3.79Å; E351-S387 VanDerWaalsContact OE1-CB 3.26Å; E351-S387 WeakPolarHBondContact OE1-CB 3.49Å; E351-S387 PolarHBondContact OE1-OG 2.88Å; E351-S387 PolarHBondContact OE2-OG 3.2Å; E351-H428 VanDerWaalsContact CD-CE1 3.47Å; E351-H428 IonicContact OE1-CE1 2.78Å; E351-H428 PolarHBondContact OE1-CE1 2.88Å; E351-H428 VanDerWaalsContact OE1-CE1 3.22Å; E351-H428 IonicContact OE1-NE2 3.51Å; E351-H428 PolarHBondContact OE1-NE2 2.61Å; E351-H428 VanDerWaalsContact OE1-NE2 3.1Å; E351-H428 IonicContact OE2-CE1 3.82Å; E351-P429 HydrophobicContact CB-CG 3.78Å; E351-Y430 HydrophobicContact CB-CD2 4.02Å; E351-Y430 HydrophobicContact CB-CE2 4.03Å; E351-Y430 VanDerWaalsContact O-CE2 3.3Å; E351-Y430 WeakPolarHBondContact O-CE2 3.36Å; E351-Y430 WeakPolarHBondContact OE2-CD2 3.37Å; E351-R434 IonicContact OE1-NH1 3.86Å; E351-R434 IonicContact OE2-CZ 3.47Å; E351-R434 VanDerWaalsContact OE2-CZ 3.31Å; E351-R434 IonicContact OE2-NH1 2.77Å; E351-R434 PolarHBondContact OE2-NH1 2.95Å; E351-R434 IonicContact OE2-NH2 3.73Å; E351-R434 PolarHBondContact OE2-NH2 3.1Å
352	S	95.2	Very high	95.4	Very high	56 Å²	56	52.7 Å²	52.7	39%	0.392	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-8.2	175.5	73.2	0	0	0	0	114.6	S348 Q349 V350 S354 Q359	S348-S352 WeakPolarHBondContact O-CB 3.42Å; S348-S352 PolarHBondContact O-N 3.16Å; S348-S352 PolarHBondContact O-OG 3.48Å; Q349-S352 WeakPolarHBondContact CA-OG 3.25Å; Q349-S352 PolarHBondContact O-N 2.89Å; Q349-S352 PolarHBondContact O-OG 3.05Å; V350-S352 VanDerWaalsContact C-N 3.29Å; V350-S352 PolarHBondContact O-N 3.34Å; S352-S354 PolarHBondContact O-N 3.03Å; S352-Q359 PolarHBondContact OG-NE2 3.3Å; S352-Q359 PolarHBondContact OG-OE1 3.22Å
353	D	94	Very high	95.4	Very high	6 Å²	6	53 Å²	53	3%	0.032	28%	0.275	C	S	.	.			trans	-60	134.3	-178.8	-173.5	-77.2	0	0	0	110.7	Q349 V350 E351 G355 D356 R357 K358 Q359 I360 R380	Q349-D353 PolarHBondContact O-N 3.41Å; V350-D353 WeakPolarHBondContact O-CB 2.89Å; V350-D353 PolarHBondContact O-N 2.88Å; E351-D353 VanDerWaalsContact C-N 3.25Å; E351-D353 PolarHBondContact O-N 2.83Å; D353-G355 PolarHBondContact O-N 3.06Å; D353-G355 VanDerWaalsContact O-N 3.11Å; D353-G355 WeakPolarHBondContact OD1-CA 3.42Å; D353-G355 PolarHBondContact OD1-N 3.04Å; D353-D356 PolarHBondContact OD1-N 3.22Å; D353-R357 WeakPolarHBondContact OD1-CA 3.32Å; D353-R357 PolarHBondContact OD1-N 3.42Å; D353-R357 WeakPolarHBondContact OD2-CA 3.36Å; D353-K358 PolarHBondContact OD2-N 3.23Å; D353-Q359 HydrophobicContact CB-CB 4.35Å; D353-Q359 VanDerWaalsContact OD2-CB 3.28Å; D353-Q359 WeakPolarHBondContact OD2-CB 3.32Å; D353-Q359 PolarHBondContact OD2-N 3.29Å; D353-Q359 VanDerWaalsContact OD2-N 3.09Å; D353-I360 HydrophobicContact CB-CD1 3.97Å; D353-I360 HydrophobicContact CB-CG1 3.86Å; D353-R380 PolarHBondContact O-NH1 3.32Å
354	S	87.6	Confident	95.5	Very high	105 Å²	105	48.9 Å²	48.9	73%	0.734	26%	0.255	S	S	*	.			trans	-70.8	-3	-174.7	61.6	0	0	0	0	114.2	S352	S352-S354 PolarHBondContact O-N 3.03Å
355	G	87.6	Confident	95.6	Very high	51 Å²	51	49.6 Å²	49.6	53%	0.526	26%	0.261	S	S	.	.	S	Bend	trans	100.3	-2.8	-176.5	0	0	0	0	0	113.6	D353 R357	D353-G355 PolarHBondContact O-N 3.06Å; D353-G355 VanDerWaalsContact O-N 3.11Å; D353-G355 WeakPolarHBondContact OD1-CA 3.42Å; D353-G355 PolarHBondContact OD1-N 3.04Å; G355-R357 VanDerWaalsContact C-N 3.3Å
356	D	91.9	Very high	95.5	Very high	77 Å²	77	47 Å²	47	41%	0.412	26%	0.263	S	S	.	.	S	Bend	trans	-86	-2.4	174.5	81.7	-0	0	0	0	113.5	D353 K358	D353-D356 PolarHBondContact OD1-N 3.22Å; D356-K358 PolarHBondContact O-N 3.39Å; D356-K358 WeakPolarHBondContact OD1-CB 3.19Å; D356-K358 WeakPolarHBondContact OD1-CG 3.28Å; D356-K358 PolarHBondContact OD1-N 2.88Å; D356-K358 WeakPolarHBondContact OD2-CD 3.25Å; D356-K358 WeakPolarHBondContact OD2-CE 3.39Å; D356-K358 IonicContact OD2-NZ 3.14Å; D356-K358 PolarHBondContact OD2-NZ 2.8Å
357	R	95.8	Very high	95.4	Very high	70 Å²	70	46.8 Å²	46.8	26%	0.264	26%	0.263	S	S	.	.			trans	63	3.6	175.8	-50	175.3	-175.8	133.7	-15.5	114.6	D353 G355 Q359 I360 Y361 E373 C376 D377	D353-R357 WeakPolarHBondContact OD1-CA 3.32Å; D353-R357 PolarHBondContact OD1-N 3.42Å; D353-R357 WeakPolarHBondContact OD2-CA 3.36Å; G355-R357 VanDerWaalsContact C-N 3.3Å; R357-Q359 VanDerWaalsContact C-N 3.34Å; R357-Q359 PolarHBondContact O-N 3Å; R357-I360 PolarHBondContact O-N 2.72Å; R357-Y361 VanDerWaalsContact O-CB 3.28Å; R357-Y361 WeakPolarHBondContact O-CB 3.26Å; R357-Y361 PolarHBondContact O-N 2.85Å; R357-E373 IonicContact CZ-OE2 3.52Å; R357-E373 IonicContact NH1-OE1 3.89Å; R357-E373 IonicContact NH1-OE2 3.63Å; R357-E373 PolarHBondContact NH1-OE2 3.15Å; R357-C376 HydrophobicContact CB-CB 4.11Å; R357-C376 HydrophobicContact CG-CB 4.32Å; R357-D377 IonicContact CZ-OD1 2.79Å; R357-D377 IonicContact CZ-OD2 3.58Å; R357-D377 IonicContact NE-OD1 3.83Å; R357-D377 PolarHBondContact NE-OD1 3.23Å; R357-D377 IonicContact NE-OD2 3.31Å; R357-D377 PolarHBondContact NE-OD2 3.39Å; R357-D377 IonicContact NH2-OD1 3.86Å; R357-D377 PolarHBondContact NH2-OD1 3.02Å; R357-D377 IonicContact NH2-OD2 2.95Å; R357-D377 PolarHBondContact NH2-OD2 2.95Å
358	K	95.3	Very high	95.2	Very high	130 Å²	130	49.2 Å²	49.2	57%	0.565	29%	0.288	S	S	*	.	H	α-helix	trans	-65.8	-39.4	-175.4	-70.7	-174.4	-170.1	119.7	0	111.8	D353 D356 N362	D353-K358 PolarHBondContact OD2-N 3.23Å; D356-K358 PolarHBondContact O-N 3.39Å; D356-K358 WeakPolarHBondContact OD1-CB 3.19Å; D356-K358 WeakPolarHBondContact OD1-CG 3.28Å; D356-K358 PolarHBondContact OD1-N 2.88Å; D356-K358 WeakPolarHBondContact OD2-CD 3.25Å; D356-K358 WeakPolarHBondContact OD2-CE 3.39Å; D356-K358 IonicContact OD2-NZ 3.14Å; D356-K358 PolarHBondContact OD2-NZ 2.8Å; K358-N362 WeakPolarHBondContact O-CB 3.26Å; K358-N362 PolarHBondContact O-N 2.82Å; K358-N362 PolarHBondContact O-ND2 2.86Å; K358-N362 VanDerWaalsContact O-ND2 3.16Å
359	Q	95.9	Very high	95	Very high	63 Å²	63	49 Å²	49	29%	0.294	29%	0.286	S	S	.	.	H	α-helix	trans	-67.8	-45.1	-179.5	-174.8	171.6	-1.1	0	0	110.1	Q349 S352 D353 R357 Y361 N362 I363	Q349-Q359 VanDerWaalsContact CB-NE2 3.26Å; Q349-Q359 PolarHBondContact O-NE2 2.78Å; Q349-Q359 VanDerWaalsContact O-NE2 3.13Å; Q349-Q359 PolarHBondContact O-OE1 2.85Å; S352-Q359 PolarHBondContact OG-NE2 3.3Å; S352-Q359 PolarHBondContact OG-OE1 3.22Å; D353-Q359 HydrophobicContact CB-CB 4.35Å; D353-Q359 VanDerWaalsContact OD2-CB 3.28Å; D353-Q359 WeakPolarHBondContact OD2-CB 3.32Å; D353-Q359 PolarHBondContact OD2-N 3.29Å; D353-Q359 VanDerWaalsContact OD2-N 3.09Å; R357-Q359 VanDerWaalsContact C-N 3.34Å; R357-Q359 PolarHBondContact O-N 3Å; Q359-Y361 PolarHBondContact O-N 2.95Å; Q359-N362 PolarHBondContact O-N 2.92Å; Q359-I363 HydrophobicContact CG-CD1 4.14Å; Q359-I363 WeakPolarHBondContact O-CG1 3.38Å; Q359-I363 PolarHBondContact O-N 2.81Å
360	I	97.8	Very high	94.9	Very high	1 Å²	1	53 Å²	53	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-59.8	-48.5	176	-53.1	174.4	0	0	0	110.2	V350 D353 R357 N362 I363 L364 C376 V379 R380	V350-I360 HydrophobicContact CB-CG1 4.41Å; V350-I360 HydrophobicContact CG1-CD1 4.13Å; V350-I360 HydrophobicContact CG1-CG1 4.1Å; V350-I360 HydrophobicContact CG2-CG1 4.3Å; V350-I360 HydrophobicContact CG2-CG2 4.41Å; D353-I360 HydrophobicContact CB-CD1 3.97Å; D353-I360 HydrophobicContact CB-CG1 3.86Å; R357-I360 PolarHBondContact O-N 2.72Å; I360-N362 VanDerWaalsContact C-N 3.32Å; I360-N362 PolarHBondContact O-N 3.34Å; I360-I363 PolarHBondContact O-N 3.45Å; I360-L364 HydrophobicContact CG2-CD1 3.81Å; I360-L364 HydrophobicContact CG2-CG 4.27Å; I360-L364 WeakPolarHBondContact O-CB 3.5Å; I360-L364 VanDerWaalsContact O-CG 3.31Å; I360-L364 WeakPolarHBondContact O-CG 3.4Å; I360-L364 PolarHBondContact O-N 2.89Å; I360-C376 HydrophobicContact CB-CB 4.2Å; I360-C376 HydrophobicContact CG2-CB 3.74Å; I360-V379 HydrophobicContact CG2-CG1 4.4Å; I360-R380 HydrophobicContact CD1-CB 4.1Å
361	Y	97.8	Very high	94.7	Very high	98 Å²	98	53.5 Å²	53.5	38%	0.384	31%	0.312	S	S	.	.	H	α-helix	trans	-56.8	-44.6	177.8	-175.6	-82.4	0	0	0	112.1	R357 Q359 L364 S365 P371	R357-Y361 VanDerWaalsContact O-CB 3.28Å; R357-Y361 WeakPolarHBondContact O-CB 3.26Å; R357-Y361 PolarHBondContact O-N 2.85Å; Q359-Y361 PolarHBondContact O-N 2.95Å; Y361-L364 PolarHBondContact O-N 3.38Å; Y361-S365 WeakPolarHBondContact CD1-OG 3.47Å; Y361-S365 WeakPolarHBondContact CE1-OG 3.49Å; Y361-S365 VanDerWaalsContact O-CB 3.26Å; Y361-S365 WeakPolarHBondContact O-CB 3.42Å; Y361-S365 PolarHBondContact O-N 3.03Å; Y361-S365 PolarHBondContact O-OG 2.85Å; Y361-P371 HydrophobicContact CD2-CG 3.57Å; Y361-P371 HydrophobicContact CE2-CG 3.86Å; Y361-P371 HydrophobicContact CG-CG 4.19Å
362	N	96.8	Very high	94.7	Very high	106 Å²	106	56.1 Å²	56.1	57%	0.567	33%	0.331	S	S	*	.	H	α-helix	trans	-66.2	-41.2	179.8	-72.4	-25	0	0	0	112.4	K358 Q359 I360 S365 S366	K358-N362 WeakPolarHBondContact O-CB 3.26Å; K358-N362 PolarHBondContact O-N 2.82Å; K358-N362 PolarHBondContact O-ND2 2.86Å; K358-N362 VanDerWaalsContact O-ND2 3.16Å; Q359-N362 PolarHBondContact O-N 2.92Å; I360-N362 VanDerWaalsContact C-N 3.32Å; I360-N362 PolarHBondContact O-N 3.34Å; N362-S365 PolarHBondContact O-N 2.8Å; N362-S366 WeakPolarHBondContact O-CB 3.26Å; N362-S366 PolarHBondContact O-N 2.7Å
363	I	97	Very high	94.7	Very high	9 Å²	9	60 Å²	60	5%	0.046	34%	0.342	C	S	.	.	H	α-helix	trans	-61.6	-52.5	176	-69.6	164.6	0	0	0	109.5	F342 F346 Q349 V350 Q359 I360 S365 S366 L367	F342-I363 HydrophobicContact CE2-CG2 4.18Å; F346-I363 HydrophobicContact CB-CG2 4.01Å; F346-I363 HydrophobicContact CD1-CD1 4.24Å; F346-I363 HydrophobicContact CD1-CG1 4.06Å; F346-I363 HydrophobicContact CD1-CG2 3.75Å; F346-I363 HydrophobicContact CD2-CG2 4.33Å; F346-I363 HydrophobicContact CE1-CG2 4.28Å; F346-I363 HydrophobicContact CG-CG2 3.79Å; Q349-I363 HydrophobicContact CB-CD1 3.65Å; V350-I363 HydrophobicContact CG2-CD1 4.06Å; Q359-I363 HydrophobicContact CG-CD1 4.14Å; Q359-I363 WeakPolarHBondContact O-CG1 3.38Å; Q359-I363 PolarHBondContact O-N 2.81Å; I360-I363 PolarHBondContact O-N 3.45Å; I363-S365 VanDerWaalsContact C-N 3.32Å; I363-S365 PolarHBondContact O-N 3.32Å; I363-S366 WeakPolarHBondContact O-CB 3.44Å; I363-S366 PolarHBondContact O-N 3.11Å; I363-S366 PolarHBondContact O-OG 3.2Å; I363-L367 HydrophobicContact CG2-CD1 4.29Å; I363-L367 WeakPolarHBondContact O-CG 3.4Å; I363-L367 PolarHBondContact O-N 3.34Å; I363-L367 VanDerWaalsContact O-N 3.1Å
364	L	97.2	Very high	94.8	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-39.9	-179.8	-68.9	-179.2	0	0	0	112	F328 I360 Y361 S366 L367 G368 V369 P371 V379	F328-L364 HydrophobicContact CE1-CD1 4.13Å; F328-L364 HydrophobicContact CZ-CD1 4.19Å; F328-L364 HydrophobicContact CZ-CD2 3.86Å; I360-L364 HydrophobicContact CG2-CD1 3.81Å; I360-L364 HydrophobicContact CG2-CG 4.27Å; I360-L364 WeakPolarHBondContact O-CB 3.5Å; I360-L364 VanDerWaalsContact O-CG 3.31Å; I360-L364 WeakPolarHBondContact O-CG 3.4Å; I360-L364 PolarHBondContact O-N 2.89Å; Y361-L364 PolarHBondContact O-N 3.38Å; L364-S366 VanDerWaalsContact C-N 3.32Å; L364-S366 PolarHBondContact O-N 2.96Å; L364-L367 HydrophobicContact CD2-CD1 4.33Å; L364-L367 CarbonylContact O-C 3.58Å; L364-L367 WeakPolarHBondContact O-CA 3.48Å; L364-L367 WeakPolarHBondContact O-CB 3.4Å; L364-L367 PolarHBondContact O-N 3.45Å; L364-L367 VanDerWaalsContact O-N 3.09Å; L364-G368 PolarHBondContact O-N 3.27Å; L364-V369 HydrophobicContact CB-CG2 3.75Å; L364-V369 HydrophobicContact CD2-CG2 4.36Å; L364-V369 WeakPolarHBondContact O-CG2 3.41Å; L364-V369 PolarHBondContact O-N 3.39Å; L364-P371 HydrophobicContact CB-CB 4.18Å; L364-P371 HydrophobicContact CB-CG 3.77Å; L364-P371 HydrophobicContact CD1-CB 3.66Å; L364-P371 HydrophobicContact CD1-CG 3.98Å; L364-V379 HydrophobicContact CD1-CB 4.33Å; L364-V379 HydrophobicContact CD1-CG2 3.99Å; L364-V379 HydrophobicContact CD2-CG1 4.24Å; L364-V379 HydrophobicContact CD2-CG2 4.13Å
365	S	96.3	Very high	95.2	Very high	40 Å²	40	56.6 Å²	56.6	28%	0.28	32%	0.316	S	S	.	.	H	α-helix	trans	-60.7	-39.7	172.3	-61.9	0	0	0	0	112.6	Y361 N362 I363 L367 G368 V369	Y361-S365 WeakPolarHBondContact CD1-OG 3.47Å; Y361-S365 WeakPolarHBondContact CE1-OG 3.49Å; Y361-S365 VanDerWaalsContact O-CB 3.26Å; Y361-S365 WeakPolarHBondContact O-CB 3.42Å; Y361-S365 PolarHBondContact O-N 3.03Å; Y361-S365 PolarHBondContact O-OG 2.85Å; N362-S365 PolarHBondContact O-N 2.8Å; I363-S365 VanDerWaalsContact C-N 3.32Å; I363-S365 PolarHBondContact O-N 3.32Å; S365-L367 PolarHBondContact O-N 3.25Å; S365-G368 PolarHBondContact O-N 2.97Å; S365-V369 VanDerWaalsContact CA-O 3.3Å; S365-V369 WeakPolarHBondContact CA-O 3.44Å
366	S	95.1	Very high	95.7	Very high	76 Å²	76	54.2 Å²	54.2	53%	0.531	29%	0.291	S	S	.	.	H	α-helix	trans	-67.2	-24.4	176.2	79.7	0	0	0	0	113.1	N362 I363 L364 G368	N362-S366 WeakPolarHBondContact O-CB 3.26Å; N362-S366 PolarHBondContact O-N 2.7Å; I363-S366 WeakPolarHBondContact O-CB 3.44Å; I363-S366 PolarHBondContact O-N 3.11Å; I363-S366 PolarHBondContact O-OG 3.2Å; L364-S366 VanDerWaalsContact C-N 3.32Å; L364-S366 PolarHBondContact O-N 2.96Å; S366-G368 PolarHBondContact O-N 3.42Å
367	L	94.4	Very high	96	Very high	9 Å²	9	53.1 Å²	53.1	5%	0.047	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	4.7	171.9	-60.2	170.2	0	0	0	112.2	S333 Q335 G341 F342 F346 I363 L364 S365	S333-L367 WeakPolarHBondContact CB-O 3.43Å; S333-L367 PolarHBondContact OG-O 3.04Å; Q335-L367 HydrophobicContact CB-CD2 4.38Å; Q335-L367 PolarHBondContact OE1-O 3.17Å; G341-L367 WeakPolarHBondContact O-CD2 3.4Å; F342-L367 HydrophobicContact CD2-CD1 3.58Å; F342-L367 HydrophobicContact CE2-CD1 3.89Å; F346-L367 HydrophobicContact CE2-CD2 4.29Å; I363-L367 HydrophobicContact CG2-CD1 4.29Å; I363-L367 WeakPolarHBondContact O-CG 3.4Å; I363-L367 PolarHBondContact O-N 3.34Å; I363-L367 VanDerWaalsContact O-N 3.1Å; L364-L367 HydrophobicContact CD2-CD1 4.33Å; L364-L367 CarbonylContact O-C 3.58Å; L364-L367 WeakPolarHBondContact O-CA 3.48Å; L364-L367 WeakPolarHBondContact O-CB 3.4Å; L364-L367 PolarHBondContact O-N 3.45Å; L364-L367 VanDerWaalsContact O-N 3.09Å; S365-L367 PolarHBondContact O-N 3.25Å
368	G	94	Very high	96.1	Very high	52 Å²	52	49.9 Å²	49.9	54%	0.536	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	19.1	174.9	0	0	0	0	0	114.7	L364 S365 S366	L364-G368 PolarHBondContact O-N 3.27Å; S365-G368 PolarHBondContact O-N 2.97Å; S366-G368 PolarHBondContact O-N 3.42Å
369	V	93.6	Very high	96.3	Very high	12 Å²	12	43.7 Å²	43.7	7%	0.073	25%	0.246	C	C	.	.			trans	-107.7	150.9	169.6	-62.3	0	0	0	0	110.7	F328 L364 S365 P371	F328-V369 HydrophobicContact CD1-CB 4.38Å; F328-V369 HydrophobicContact CD1-CG2 4.31Å; F328-V369 HydrophobicContact CD2-CG1 4.19Å; F328-V369 HydrophobicContact CE1-CB 4.49Å; F328-V369 HydrophobicContact CE1-CG2 3.94Å; F328-V369 HydrophobicContact CE2-CG1 4.44Å; F328-V369 HydrophobicContact CE2-CG2 4.36Å; F328-V369 HydrophobicContact CG-CB 4.5Å; F328-V369 HydrophobicContact CG-CG1 4.35Å; F328-V369 HydrophobicContact CZ-CG2 3.99Å; L364-V369 HydrophobicContact CB-CG2 3.75Å; L364-V369 HydrophobicContact CD2-CG2 4.36Å; L364-V369 WeakPolarHBondContact O-CG2 3.41Å; L364-V369 PolarHBondContact O-N 3.39Å; S365-V369 VanDerWaalsContact CA-O 3.3Å; S365-V369 WeakPolarHBondContact CA-O 3.44Å; V369-P371 VanDerWaalsContact O-CD 3.27Å; V369-P371 WeakPolarHBondContact O-CD 3.47Å
370	L	93.8	Very high	96.4	Very high	151 Å²	151	43.1 Å²	43.1	79%	0.791	24%	0.242	S	C	*	.			trans	-103.9	91.5	170.4	-73.7	167.9	0	0	0	108.2
371	P	95.4	Very high	96.4	Very high	11 Å²	11	45.4 Å²	45.4	7%	0.071	25%	0.253	C	S	.	.			trans	-76.8	144.6	-171.8	34.1	-38.8	0	0	0	111.9	F328 Y361 L364 V369 D375	F328-P371 HydrophobicContact CE1-CB 4.08Å; Y361-P371 HydrophobicContact CD2-CG 3.57Å; Y361-P371 HydrophobicContact CE2-CG 3.86Å; Y361-P371 HydrophobicContact CG-CG 4.19Å; L364-P371 HydrophobicContact CB-CB 4.18Å; L364-P371 HydrophobicContact CB-CG 3.77Å; L364-P371 HydrophobicContact CD1-CB 3.66Å; L364-P371 HydrophobicContact CD1-CG 3.98Å; V369-P371 VanDerWaalsContact O-CD 3.27Å; V369-P371 WeakPolarHBondContact O-CD 3.47Å; P371-D375 HydrophobicContact CB-CB 4.01Å
372	S	96.1	Very high	96.4	Very high	55 Å²	55	40.8 Å²	40.8	39%	0.385	24%	0.235	S	C	.	.			trans	-75.4	167.6	161.2	69.2	0	0	0	0	111.1	L374 D375 C376	S372-L374 PolarHBondContact O-N 2.68Å; S372-D375 WeakPolarHBondContact CB-OD2 3.31Å; S372-D375 PolarHBondContact N-OD2 3.12Å; S372-D375 PolarHBondContact O-N 2.94Å; S372-D375 VanDerWaalsContact O-N 3.16Å; S372-D375 PolarHBondContact OG-N 3.43Å; S372-D375 VanDerWaalsContact OG-N 3.14Å; S372-D375 PolarHBondContact OG-OD2 3.39Å; S372-C376 PolarHBondContact O-N 2.8Å; S372-C376 VanDerWaalsContact O-N 3.12Å
373	E	95.3	Very high	96.5	Very high	136 Å²	136	35.7 Å²	35.7	64%	0.636	21%	0.208	S	C	*	.	H	α-helix	trans	-56.6	-40.1	172.3	-72.3	-172.2	-175	0	0	112.3	R357 C376 D377	R357-E373 IonicContact CZ-OE2 3.52Å; R357-E373 IonicContact NH1-OE1 3.89Å; R357-E373 IonicContact NH1-OE2 3.63Å; R357-E373 PolarHBondContact NH1-OE2 3.15Å; E373-C376 WeakPolarHBondContact O-CB 3.07Å; E373-C376 PolarHBondContact O-N 3.13Å; E373-D377 PolarHBondContact O-N 3.46Å; E373-D377 VanDerWaalsContact O-N 3.13Å
374	L	95.8	Very high	96.6	Very high	37 Å²	37	37.6 Å²	37.6	19%	0.194	22%	0.217	C	C	.	.	H	α-helix	trans	-67.2	-37.3	177.7	-179.7	61.2	0	0	0	111.7	V21 K24 I25 S372 C376 D377 I378	V21-L374 HydrophobicContact CG1-CD2 4.11Å; K24-L374 HydrophobicContact CD-CD2 3.97Å; I25-L374 HydrophobicContact CD1-CD1 4.13Å; I25-L374 HydrophobicContact CG1-CD1 4.1Å; S372-L374 PolarHBondContact O-N 2.68Å; L374-C376 VanDerWaalsContact C-N 3.3Å; L374-C376 PolarHBondContact O-N 3.29Å; L374-D377 PolarHBondContact O-N 3.02Å; L374-I378 HydrophobicContact CD1-CD1 4.21Å; L374-I378 HydrophobicContact CD1-CG1 4.31Å; L374-I378 HydrophobicContact CG-CD1 3.9Å; L374-I378 HydrophobicContact CG-CG1 4.44Å; L374-I378 VanDerWaalsContact O-CG1 3.29Å; L374-I378 WeakPolarHBondContact O-CG1 3.47Å; L374-I378 PolarHBondContact O-N 2.87Å
375	D	97.5	Very high	96.7	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-39.2	175.4	-61.4	-52.9	0	0	0	111	L327 F328 P371 S372 D377 I378 V379	L327-D375 HydrophobicContact CD1-CB 3.83Å; F328-D375 HydrophobicContact CD1-CB 3.87Å; F328-D375 HydrophobicContact CE1-CB 3.67Å; F328-D375 PolarHBondContact N-OD1 2.95Å; P371-D375 HydrophobicContact CB-CB 4.01Å; S372-D375 WeakPolarHBondContact CB-OD2 3.31Å; S372-D375 PolarHBondContact N-OD2 3.12Å; S372-D375 PolarHBondContact O-N 2.94Å; S372-D375 VanDerWaalsContact O-N 3.16Å; S372-D375 PolarHBondContact OG-N 3.43Å; S372-D375 VanDerWaalsContact OG-N 3.14Å; S372-D375 PolarHBondContact OG-OD2 3.39Å; D375-D377 VanDerWaalsContact C-N 3.35Å; D375-D377 PolarHBondContact O-N 2.79Å; D375-I378 PolarHBondContact O-N 2.91Å; D375-V379 WeakPolarHBondContact O-CB 3.37Å; D375-V379 VanDerWaalsContact O-CG2 3.27Å; D375-V379 WeakPolarHBondContact O-CG2 3.22Å; D375-V379 PolarHBondContact O-N 3.18Å
376	C	98	Very high	96.8	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	21%	0.209	C	C	.	.	H	α-helix	trans	-60.3	-44.1	173.9	-69.1	0	0	0	0	111.9	R357 I360 S372 E373 L374 V379 R380	R357-C376 HydrophobicContact CB-CB 4.11Å; R357-C376 HydrophobicContact CG-CB 4.32Å; I360-C376 HydrophobicContact CB-CB 4.2Å; I360-C376 HydrophobicContact CG2-CB 3.74Å; S372-C376 PolarHBondContact O-N 2.8Å; S372-C376 VanDerWaalsContact O-N 3.12Å; E373-C376 WeakPolarHBondContact O-CB 3.07Å; E373-C376 PolarHBondContact O-N 3.13Å; L374-C376 VanDerWaalsContact C-N 3.3Å; L374-C376 PolarHBondContact O-N 3.29Å; C376-V379 PolarHBondContact O-N 2.76Å; C376-R380 PolarHBondContact O-N 2.91Å
377	D	97.1	Very high	97	Very high	54 Å²	54	32.9 Å²	32.9	29%	0.289	18%	0.184	S	C	.	.	H	α-helix	trans	-65	-41.5	178	-67.1	-23.6	0	0	0	111.6	R357 E373 L374 D375 R380 L381	R357-D377 IonicContact CZ-OD1 2.79Å; R357-D377 IonicContact CZ-OD2 3.58Å; R357-D377 IonicContact NE-OD1 3.83Å; R357-D377 PolarHBondContact NE-OD1 3.23Å; R357-D377 IonicContact NE-OD2 3.31Å; R357-D377 PolarHBondContact NE-OD2 3.39Å; R357-D377 IonicContact NH2-OD1 3.86Å; R357-D377 PolarHBondContact NH2-OD1 3.02Å; R357-D377 IonicContact NH2-OD2 2.95Å; R357-D377 PolarHBondContact NH2-OD2 2.95Å; E373-D377 PolarHBondContact O-N 3.46Å; E373-D377 VanDerWaalsContact O-N 3.13Å; L374-D377 PolarHBondContact O-N 3.02Å; D375-D377 VanDerWaalsContact C-N 3.35Å; D375-D377 PolarHBondContact O-N 2.79Å; D377-R380 WeakPolarHBondContact O-CB 3.28Å; D377-R380 PolarHBondContact O-N 3.38Å; D377-L381 WeakPolarHBondContact O-CG 3.44Å; D377-L381 PolarHBondContact O-N 3.4Å
378	I	98.4	Very high	97.2	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-64.5	-44.7	176.8	-69.2	168	0	0	0	111	V28 L321 L326 L327 L374 D375 R380 L381 V382	V28-I378 HydrophobicContact CG1-CG1 4.49Å; V28-I378 HydrophobicContact CG1-CG2 4.05Å; V28-I378 HydrophobicContact CG2-CD1 4.07Å; V28-I378 HydrophobicContact CG2-CG1 4.28Å; V28-I378 HydrophobicContact CG2-CG2 4.24Å; L321-I378 HydrophobicContact CD1-CG2 3.6Å; L326-I378 WeakPolarHBondContact O-CD1 3.29Å; L327-I378 HydrophobicContact CD1-CB 4.07Å; L327-I378 HydrophobicContact CD1-CG2 3.84Å; L374-I378 HydrophobicContact CD1-CD1 4.21Å; L374-I378 HydrophobicContact CD1-CG1 4.31Å; L374-I378 HydrophobicContact CG-CD1 3.9Å; L374-I378 HydrophobicContact CG-CG1 4.44Å; L374-I378 VanDerWaalsContact O-CG1 3.29Å; L374-I378 WeakPolarHBondContact O-CG1 3.47Å; L374-I378 PolarHBondContact O-N 2.87Å; D375-I378 PolarHBondContact O-N 2.91Å; I378-R380 PolarHBondContact O-N 2.74Å; I378-L381 WeakPolarHBondContact O-CB 3.36Å; I378-L381 PolarHBondContact O-N 2.97Å; I378-L381 VanDerWaalsContact O-N 3.12Å; I378-V382 WeakPolarHBondContact O-CG2 3.47Å; I378-V382 PolarHBondContact O-N 3.19Å
379	V	98.5	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-35.4	177.3	169.1	0	0	0	0	111.3	M318 L327 F328 V350 I360 L364 D375 C376 V382 C383	M318-V379 HydrophobicContact CG-CG2 4.48Å; M318-V379 HydrophobicContact SD-CG1 4.05Å; M318-V379 HydrophobicContact SD-CG2 3.83Å; L327-V379 HydrophobicContact CD1-CG2 4.08Å; L327-V379 HydrophobicContact CD2-CG2 4.2Å; F328-V379 HydrophobicContact CZ-CG2 3.97Å; V350-V379 HydrophobicContact CG1-CG1 4.4Å; V350-V379 HydrophobicContact CG2-CG1 4.34Å; I360-V379 HydrophobicContact CG2-CG1 4.4Å; L364-V379 HydrophobicContact CD1-CB 4.33Å; L364-V379 HydrophobicContact CD1-CG2 3.99Å; L364-V379 HydrophobicContact CD2-CG1 4.24Å; L364-V379 HydrophobicContact CD2-CG2 4.13Å; D375-V379 WeakPolarHBondContact O-CB 3.37Å; D375-V379 VanDerWaalsContact O-CG2 3.27Å; D375-V379 WeakPolarHBondContact O-CG2 3.22Å; D375-V379 PolarHBondContact O-N 3.18Å; C376-V379 PolarHBondContact O-N 2.76Å; V379-V382 PolarHBondContact O-N 3.08Å; V379-C383 PolarHBondContact O-N 3.15Å; V379-C383 PolarHBondContact O-SG 3.41Å
380	R	98.3	Very high	97.7	Very high	51 Å²	51	31.5 Å²	31.5	19%	0.192	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-49.4	171.6	-175	177.3	179.4	123.4	8.5	111.6	V350 D353 I360 C376 D377 I378 V382 C383 E384	V350-R380 HydrophobicContact CG1-CB 4.08Å; V350-R380 HydrophobicContact CG1-CG 4.36Å; D353-R380 PolarHBondContact O-NH1 3.32Å; I360-R380 HydrophobicContact CD1-CB 4.1Å; C376-R380 PolarHBondContact O-N 2.91Å; D377-R380 WeakPolarHBondContact O-CB 3.28Å; D377-R380 PolarHBondContact O-N 3.38Å; I378-R380 PolarHBondContact O-N 2.74Å; R380-V382 VanDerWaalsContact C-N 3.29Å; R380-V382 PolarHBondContact O-N 2.81Å; R380-C383 PolarHBondContact O-N 3.34Å; R380-E384 HydrophobicContact CG-CG 4.34Å; R380-E384 WeakPolarHBondContact CG-OE1 3.48Å; R380-E384 IonicContact CZ-OE1 2.75Å; R380-E384 IonicContact NE-OE1 3.8Å; R380-E384 PolarHBondContact NE-OE1 2.81Å; R380-E384 IonicContact NH2-OE1 3.01Å; R380-E384 WeakPolarHBondContact O-CB 3.1Å; R380-E384 WeakPolarHBondContact O-CG 3.43Å; R380-E384 PolarHBondContact O-N 3.28Å
381	L	98.3	Very high	97.9	Very high	49 Å²	49	24.3 Å²	24.3	26%	0.257	13%	0.127	S	C	.	.	H	α-helix	trans	-59.4	-38.2	177.3	-68.3	171.8	0	0	0	112.6	L32 D377 I378 S385	L32-L381 HydrophobicContact CD1-CB 3.65Å; D377-L381 WeakPolarHBondContact O-CG 3.44Å; D377-L381 PolarHBondContact O-N 3.4Å; I378-L381 WeakPolarHBondContact O-CB 3.36Å; I378-L381 PolarHBondContact O-N 2.97Å; I378-L381 VanDerWaalsContact O-N 3.12Å; L381-S385 VanDerWaalsContact O-CB 3.3Å; L381-S385 WeakPolarHBondContact O-CB 3.31Å; L381-S385 PolarHBondContact O-N 3.19Å; L381-S385 PolarHBondContact O-OG 3.07Å
382	V	98.8	Very high	98.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-51.7	174.2	172.2	0	0	0	0	110.8	L32 A314 V317 M318 L321 I378 V379 R380 E384 S385 V386	L32-V382 HydrophobicContact CD2-CG2 4.16Å; A314-V382 HydrophobicContact CB-CG1 4.25Å; V317-V382 HydrophobicContact CB-CG1 3.79Å; V317-V382 HydrophobicContact CG1-CB 4.42Å; V317-V382 HydrophobicContact CG1-CG1 3.77Å; V317-V382 HydrophobicContact CG1-CG2 3.88Å; M318-V382 HydrophobicContact CG-CG1 4.16Å; M318-V382 HydrophobicContact CG-CG2 4.45Å; L321-V382 HydrophobicContact CD1-CG2 3.54Å; I378-V382 WeakPolarHBondContact O-CG2 3.47Å; I378-V382 PolarHBondContact O-N 3.19Å; V379-V382 PolarHBondContact O-N 3.08Å; R380-V382 VanDerWaalsContact C-N 3.29Å; R380-V382 PolarHBondContact O-N 2.81Å; V382-E384 PolarHBondContact O-N 2.96Å; V382-S385 PolarHBondContact O-N 3.36Å; V382-V386 WeakPolarHBondContact O-CG2 3.47Å; V382-V386 PolarHBondContact O-N 2.82Å
383	C	98.7	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60	-47.2	-179.7	-67.8	0	0	0	0	111.2	V347 V350 E351 V379 R380 S385 V386 S387	V347-C383 HydrophobicContact CG1-CB 3.96Å; V350-C383 HydrophobicContact CB-CB 4.39Å; V350-C383 HydrophobicContact CG1-CB 3.97Å; E351-C383 HydrophobicContact CG-CB 4.16Å; V379-C383 PolarHBondContact O-N 3.15Å; V379-C383 PolarHBondContact O-SG 3.41Å; R380-C383 PolarHBondContact O-N 3.34Å; C383-S385 VanDerWaalsContact C-N 3.33Å; C383-S385 PolarHBondContact O-N 2.87Å; C383-V386 PolarHBondContact O-N 3.39Å; C383-S387 WeakPolarHBondContact O-CB 3.43Å; C383-S387 PolarHBondContact O-N 3.42Å; C383-S387 PolarHBondContact O-OG 2.91Å; C383-S387 VanDerWaalsContact O-OG 3.14Å
384	E	98.5	Very high	98.4	Very high	49 Å²	49	16.5 Å²	16.5	23%	0.229	8%	0.083	C	C	.	.	H	α-helix	trans	-59.5	-41.9	177.2	-72	176.7	179.3	0	0	111.9	E351 R380 V382 S387 T388	E351-E384 HydrophobicContact CG-CG 3.79Å; R380-E384 HydrophobicContact CG-CG 4.34Å; R380-E384 WeakPolarHBondContact CG-OE1 3.48Å; R380-E384 IonicContact CZ-OE1 2.75Å; R380-E384 IonicContact NE-OE1 3.8Å; R380-E384 PolarHBondContact NE-OE1 2.81Å; R380-E384 IonicContact NH2-OE1 3.01Å; R380-E384 WeakPolarHBondContact O-CB 3.1Å; R380-E384 WeakPolarHBondContact O-CG 3.43Å; R380-E384 PolarHBondContact O-N 3.28Å; V382-E384 PolarHBondContact O-N 2.96Å; E384-S387 PolarHBondContact O-OG 2.88Å; E384-T388 WeakPolarHBondContact O-CB 3.45Å; E384-T388 PolarHBondContact O-N 2.96Å; E384-T388 PolarHBondContact O-OG1 2.94Å
385	S	98.8	Very high	98.5	Very high	17 Å²	17	14.7 Å²	14.7	12%	0.119	7%	0.074	C	C	.	.	H	α-helix	trans	-66.5	-46.3	-180	-60.9	0	0	0	0	112	L381 V382 C383 R389	L381-S385 VanDerWaalsContact O-CB 3.3Å; L381-S385 WeakPolarHBondContact O-CB 3.31Å; L381-S385 PolarHBondContact O-N 3.19Å; L381-S385 PolarHBondContact O-OG 3.07Å; V382-S385 PolarHBondContact O-N 3.36Å; C383-S385 VanDerWaalsContact C-N 3.33Å; C383-S385 PolarHBondContact O-N 2.87Å; S385-R389 WeakPolarHBondContact O-CB 3.34Å; S385-R389 PolarHBondContact O-N 3.22Å; S385-R389 VanDerWaalsContact O-N 3.13Å
386	V	98.8	Very high	98.6	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.006	7%	0.073	C	C	.	.	H	α-helix	trans	-64	-51.7	178.8	175.5	0	0	0	0	110.6	F35 M310 L313 A314 V317 V382 C383 T388 R389 S390	F35-V386 HydrophobicContact CD1-CG2 4.27Å; F35-V386 HydrophobicContact CE1-CG2 3.79Å; F35-V386 HydrophobicContact CZ-CG2 4.31Å; M310-V386 HydrophobicContact CG-CG1 4.03Å; L313-V386 HydrophobicContact CB-CG1 3.84Å; L313-V386 HydrophobicContact CB-CG2 4.49Å; L313-V386 HydrophobicContact CD1-CG1 4.35Å; A314-V386 HydrophobicContact CB-CG2 4.37Å; V317-V386 HydrophobicContact CG2-CG2 4.37Å; V382-V386 WeakPolarHBondContact O-CG2 3.47Å; V382-V386 PolarHBondContact O-N 2.82Å; C383-V386 PolarHBondContact O-N 3.39Å; V386-T388 PolarHBondContact O-N 3.35Å; V386-R389 PolarHBondContact O-N 3.01Å; V386-S390 WeakPolarHBondContact O-CB 3.45Å; V386-S390 PolarHBondContact O-N 3.29Å
387	S	98.7	Very high	98.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-69.1	-33	-175.5	73.3	0	0	0	0	112.5	E351 C383 E384 S390 A391 H428 R434	E351-S387 VanDerWaalsContact OE1-CB 3.26Å; E351-S387 WeakPolarHBondContact OE1-CB 3.49Å; E351-S387 PolarHBondContact OE1-OG 2.88Å; E351-S387 PolarHBondContact OE2-OG 3.2Å; C383-S387 WeakPolarHBondContact O-CB 3.43Å; C383-S387 PolarHBondContact O-N 3.42Å; C383-S387 PolarHBondContact O-OG 2.91Å; C383-S387 VanDerWaalsContact O-OG 3.14Å; E384-S387 PolarHBondContact O-OG 2.88Å; S387-S390 VanDerWaalsContact O-CB 3.24Å; S387-S390 WeakPolarHBondContact O-CB 3.42Å; S387-S390 PolarHBondContact O-N 3.37Å; S387-A391 WeakPolarHBondContact O-CB 3.36Å; S387-A391 PolarHBondContact O-N 3.23Å; S387-H428 WeakPolarHBondContact CB-NE2 3.39Å; S387-H428 PolarHBondContact OG-CE1 3.17Å; S387-R434 PolarHBondContact OG-NH1 3.33Å
388	T	98.8	Very high	98.7	Very high	37 Å²	37	11.9 Å²	11.9	23%	0.227	6%	0.059	C	C	.	.	H	α-helix	trans	-64.5	-49.3	174.1	-62	0	0	0	0	111.1	E384 V386 S390 A391 H392 R434	E384-T388 WeakPolarHBondContact O-CB 3.45Å; E384-T388 PolarHBondContact O-N 2.96Å; E384-T388 PolarHBondContact O-OG1 2.94Å; V386-T388 PolarHBondContact O-N 3.35Å; T388-S390 VanDerWaalsContact C-N 3.28Å; T388-S390 PolarHBondContact O-N 3.08Å; T388-A391 PolarHBondContact O-N 3.37Å; T388-H392 VanDerWaalsContact CG2-CE1 3.5Å; T388-H392 WeakPolarHBondContact CG2-CE1 3.43Å; T388-H392 WeakPolarHBondContact O-CB 3.38Å; T388-H392 PolarHBondContact O-CD2 3.17Å; T388-H392 VanDerWaalsContact O-CG 3.29Å; T388-H392 PolarHBondContact O-N 3.06Å; T388-R434 WeakPolarHBondContact OG1-CD 3.32Å; T388-R434 VanDerWaalsContact OG1-CZ 3.24Å; T388-R434 PolarHBondContact OG1-NE 3.29Å; T388-R434 PolarHBondContact OG1-NH1 2.81Å
389	R	98.8	Very high	98.7	Very high	6 Å²	6	11.8 Å²	11.8	2%	0.023	6%	0.059	C	C	.	.	H	α-helix	trans	-58	-43.9	175.2	-169.9	-174.3	67.2	157.9	4.6	111.3	F35 L37 D286 S385 V386 A391 H392 M393	F35-R389 HydrophobicContact CB-CB 4.39Å; F35-R389 HydrophobicContact CD1-CB 4.3Å; F35-R389 WeakPolarHBondContact O-CB 3.47Å; F35-R389 WeakPolarHBondContact O-CG 3.26Å; L37-R389 HydrophobicContact CD1-CG 4.05Å; L37-R389 HydrophobicContact CG-CG 4.47Å; D286-R389 IonicContact OD1-CZ 3.09Å; D286-R389 IonicContact OD1-NH1 3.54Å; D286-R389 IonicContact OD1-NH2 2.61Å; D286-R389 PolarHBondContact OD1-NH2 3.32Å; D286-R389 IonicContact OD2-CZ 3.44Å; D286-R389 IonicContact OD2-NH1 3.08Å; D286-R389 PolarHBondContact OD2-NH1 3.44Å; D286-R389 IonicContact OD2-NH2 2.72Å; D286-R389 PolarHBondContact OD2-NH2 3.1Å; S385-R389 WeakPolarHBondContact O-CB 3.34Å; S385-R389 PolarHBondContact O-N 3.22Å; S385-R389 VanDerWaalsContact O-N 3.13Å; V386-R389 PolarHBondContact O-N 3.01Å; R389-A391 PolarHBondContact O-N 3.36Å; R389-H392 PolarHBondContact O-N 2.76Å; R389-M393 HydrophobicContact CG-CG 4.37Å; R389-M393 WeakPolarHBondContact O-CB 3.33Å; R389-M393 WeakPolarHBondContact O-CG 3.22Å; R389-M393 PolarHBondContact O-N 2.75Å
390	S	98.7	Very high	98.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-53	-51.3	174.4	-127.7	0	0	0	0	111.8	I304 I305 M310 V386 S387 T388 C394	I304-S390 PolarHBondContact O-OG 3.12Å; I305-S390 VanDerWaalsContact C-OG 3.31Å; I305-S390 VanDerWaalsContact CA-OG 3.22Å; I305-S390 WeakPolarHBondContact CA-OG 3.42Å; I305-S390 PolarHBondContact O-OG 2.9Å; M310-S390 WeakPolarHBondContact CE-OG 3.01Å; V386-S390 WeakPolarHBondContact O-CB 3.45Å; V386-S390 PolarHBondContact O-N 3.29Å; S387-S390 VanDerWaalsContact O-CB 3.24Å; S387-S390 WeakPolarHBondContact O-CB 3.42Å; S387-S390 PolarHBondContact O-N 3.37Å; T388-S390 VanDerWaalsContact C-N 3.28Å; T388-S390 PolarHBondContact O-N 3.08Å; S390-C394 WeakPolarHBondContact O-CB 3.11Å; S390-C394 PolarHBondContact O-N 2.82Å; S390-C394 VanDerWaalsContact O-N 3.1Å
391	A	98.8	Very high	98.7	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-67.3	-38.6	-179.8	0	0	0	0	0	112.6	S387 T388 R389 G395 F431 R434 F435	S387-A391 WeakPolarHBondContact O-CB 3.36Å; S387-A391 PolarHBondContact O-N 3.23Å; T388-A391 PolarHBondContact O-N 3.37Å; R389-A391 PolarHBondContact O-N 3.36Å; A391-G395 PolarHBondContact O-N 3.36Å; A391-F431 HydrophobicContact CB-CD1 4.46Å; A391-F431 HydrophobicContact CB-CD2 3.86Å; A391-F431 HydrophobicContact CB-CE1 4.44Å; A391-F431 HydrophobicContact CB-CE2 3.88Å; A391-F431 HydrophobicContact CB-CG 4.16Å; A391-F431 HydrophobicContact CB-CZ 4.16Å; A391-R434 HydrophobicContact CB-CB 3.78Å; A391-F435 HydrophobicContact CB-CB 4.21Å
392	H	98.9	Very high	98.7	Very high	35 Å²	35	7 Å²	7	16%	0.162	4%	0.037	C	C	.	.	H	α-helix	trans	-68.8	-47.6	179.8	-70.6	-168.8	0	0	0	112.1	L42 T388 R389 C394 G395 A396 V438	L42-H392 HydrophobicContact CD1-CB 4.25Å; L42-H392 HydrophobicContact CD2-CB 3.89Å; T388-H392 VanDerWaalsContact CG2-CE1 3.5Å; T388-H392 WeakPolarHBondContact CG2-CE1 3.43Å; T388-H392 WeakPolarHBondContact O-CB 3.38Å; T388-H392 PolarHBondContact O-CD2 3.17Å; T388-H392 VanDerWaalsContact O-CG 3.29Å; T388-H392 PolarHBondContact O-N 3.06Å; R389-H392 PolarHBondContact O-N 2.76Å; H392-C394 VanDerWaalsContact C-N 3.33Å; H392-C394 PolarHBondContact O-N 3.46Å; H392-G395 PolarHBondContact O-N 2.94Å; H392-G395 VanDerWaalsContact O-N 3.12Å; H392-A396 PolarHBondContact O-N 3.48Å; H392-V438 HydrophobicContact CB-CG2 4.11Å; H392-V438 WeakPolarHBondContact CD2-CG2 3.32Å
393	M	98.8	Very high	98.7	Very high	3 Å²	3	7.9 Å²	7.9	2%	0.015	4%	0.041	C	C	.	.	H	α-helix	trans	-56.1	-51.4	174.4	-73.2	-67.6	-78.5	0	0	110.1	L37 V45 L278 Y301 I304 I305 R389 G395 A396 G397	L37-M393 HydrophobicContact CD1-CG 3.66Å; L37-M393 HydrophobicContact CD1-SD 3.4Å; L37-M393 WeakPolarHBondContact CD1-SD 3.48Å; V45-M393 HydrophobicContact CG1-CE 4.28Å; V45-M393 HydrophobicContact CG1-SD 4.29Å; V45-M393 HydrophobicContact CG2-CE 4.34Å; V45-M393 HydrophobicContact CG2-SD 4.08Å; L278-M393 HydrophobicContact CD1-CE 4.36Å; L278-M393 HydrophobicContact CD2-CE 4.24Å; Y301-M393 HydrophobicContact CD2-CE 4.15Å; Y301-M393 HydrophobicContact CE2-CB 4.22Å; Y301-M393 HydrophobicContact CE2-CE 4.03Å; Y301-M393 PolarHBondContact OH-O 3.08Å; I304-M393 HydrophobicContact CD1-CE 4.19Å; I304-M393 HydrophobicContact CG2-CB 4.36Å; I304-M393 HydrophobicContact CG2-CG 3.99Å; I305-M393 HydrophobicContact CD1-CB 4.25Å; I305-M393 HydrophobicContact CG1-CB 4.13Å; R389-M393 HydrophobicContact CG-CG 4.37Å; R389-M393 WeakPolarHBondContact O-CB 3.33Å; R389-M393 WeakPolarHBondContact O-CG 3.22Å; R389-M393 PolarHBondContact O-N 2.75Å; M393-G395 VanDerWaalsContact C-N 3.25Å; M393-G395 PolarHBondContact O-N 2.9Å; M393-A396 WeakPolarHBondContact O-CB 3.49Å; M393-A396 PolarHBondContact O-N 3.11Å; M393-A396 VanDerWaalsContact O-N 3.1Å; M393-G397 PolarHBondContact O-N 3.26Å; M393-G397 VanDerWaalsContact O-N 3.08Å
394	C	98.8	Very high	98.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-54.7	-40.3	176.5	-166.3	0	0	0	0	113	M236 I305 S390 H392 L398 F431 F435	M236-C394 WeakPolarHBondContact CE-SG 3.39Å; I305-C394 HydrophobicContact CD1-CB 3.97Å; I305-C394 HydrophobicContact CG1-CB 4.22Å; I305-C394 HydrophobicContact CG2-CB 3.81Å; S390-C394 WeakPolarHBondContact O-CB 3.11Å; S390-C394 PolarHBondContact O-N 2.82Å; S390-C394 VanDerWaalsContact O-N 3.1Å; H392-C394 VanDerWaalsContact C-N 3.33Å; H392-C394 PolarHBondContact O-N 3.46Å; C394-L398 PolarHBondContact O-N 2.82Å; C394-L398 VanDerWaalsContact O-N 3.17Å; C394-F431 HydrophobicContact CB-CZ 4.1Å; C394-F435 HydrophobicContact CB-CD2 4.12Å; C394-F435 HydrophobicContact CB-CE2 4.4Å
395	G	98.8	Very high	98.4	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-66.5	-41.7	176.9	0	0	0	0	0	113	A391 H392 M393 L398 A399	A391-G395 PolarHBondContact O-N 3.36Å; H392-G395 PolarHBondContact O-N 2.94Å; H392-G395 VanDerWaalsContact O-N 3.12Å; M393-G395 VanDerWaalsContact C-N 3.25Å; M393-G395 PolarHBondContact O-N 2.9Å; G395-L398 PolarHBondContact O-N 2.89Å; G395-A399 WeakPolarHBondContact O-CB 3.44Å; G395-A399 PolarHBondContact O-N 2.86Å
396	A	98.8	Very high	98.3	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-62.5	-41.2	175.6	0	0	0	0	0	112.4	L42 V45 H392 M393 A399 G400 L442	L42-A396 HydrophobicContact CB-CB 4.33Å; L42-A396 HydrophobicContact CD2-CB 4.15Å; L42-A396 WeakPolarHBondContact O-CB 3.35Å; V45-A396 HydrophobicContact CB-CB 4.14Å; V45-A396 HydrophobicContact CG1-CB 3.9Å; H392-A396 PolarHBondContact O-N 3.48Å; M393-A396 WeakPolarHBondContact O-CB 3.49Å; M393-A396 PolarHBondContact O-N 3.11Å; M393-A396 VanDerWaalsContact O-N 3.1Å; A396-A399 PolarHBondContact O-N 2.78Å; A396-G400 PolarHBondContact O-N 3.47Å; A396-L442 HydrophobicContact CB-CD1 4.01Å
397	G	98.8	Very high	98	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.7	-46.8	174.8	0	0	0	0	0	113.1	Y301 M393 A399 G400 V401	Y301-G397 VanDerWaalsContact OH-CA 3.28Å; Y301-G397 WeakPolarHBondContact OH-CA 3.34Å; Y301-G397 PolarHBondContact OH-N 3.07Å; M393-G397 PolarHBondContact O-N 3.26Å; M393-G397 VanDerWaalsContact O-N 3.08Å; G397-A399 VanDerWaalsContact C-N 3.34Å; G397-A399 PolarHBondContact O-N 3.49Å; G397-G400 PolarHBondContact O-N 2.96Å; G397-G400 VanDerWaalsContact O-N 3.16Å; G397-V401 PolarHBondContact O-N 2.88Å
398	L	98.8	Very high	97.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.9	-38.6	176.8	178.6	62.9	0	0	0	111.9	V234 M236 W269 C394 G395 G400 V401 I402 V418 F435 V439 F450	V234-L398 HydrophobicContact CG1-CD1 3.83Å; M236-L398 HydrophobicContact SD-CB 4.47Å; M236-L398 HydrophobicContact SD-CD1 4.46Å; M236-L398 HydrophobicContact SD-CD2 4.09Å; W269-L398 HydrophobicContact CH2-CB 4.19Å; W269-L398 HydrophobicContact CZ3-CB 4.44Å; C394-L398 PolarHBondContact O-N 2.82Å; C394-L398 VanDerWaalsContact O-N 3.17Å; G395-L398 PolarHBondContact O-N 2.89Å; L398-G400 PolarHBondContact O-N 3.42Å; L398-V401 HydrophobicContact CD1-CB 4.44Å; L398-V401 WeakPolarHBondContact O-CB 3.08Å; L398-V401 PolarHBondContact O-N 2.91Å; L398-V401 VanDerWaalsContact O-N 3.15Å; L398-I402 HydrophobicContact CD1-CD1 4.08Å; L398-I402 HydrophobicContact CD1-CG1 4.12Å; L398-I402 HydrophobicContact CD2-CD1 4.21Å; L398-I402 HydrophobicContact CG-CD1 3.84Å; L398-I402 HydrophobicContact CG-CG1 4.29Å; L398-I402 WeakPolarHBondContact O-CG1 3.26Å; L398-I402 PolarHBondContact O-N 2.86Å; L398-V418 HydrophobicContact CD1-CG1 4.44Å; L398-V418 HydrophobicContact CD2-CG1 4.07Å; L398-V418 HydrophobicContact CD2-CG2 4.26Å; L398-F435 HydrophobicContact CB-CE2 4.17Å; L398-F435 HydrophobicContact CB-CZ 4.3Å; L398-F435 HydrophobicContact CD2-CE1 4.27Å; L398-F435 HydrophobicContact CD2-CE2 4.09Å; L398-F435 HydrophobicContact CD2-CZ 3.41Å; L398-F435 VanDerWaalsContact CD2-CZ 3.41Å; L398-F435 HydrophobicContact CG-CZ 4.47Å; L398-V439 HydrophobicContact CB-CG2 4.21Å; L398-V439 HydrophobicContact CD2-CG1 4.26Å; L398-V439 HydrophobicContact CD2-CG2 3.98Å; L398-V439 HydrophobicContact CG-CG1 4.45Å; L398-V439 HydrophobicContact CG-CG2 4.37Å; L398-F450 HydrophobicContact CD2-CE1 3.63Å; L398-F450 HydrophobicContact CD2-CZ 4.1Å
399	A	98.7	Very high	97.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.4	-38	174.2	0	0	0	0	0	111.6	M46 G395 A396 G397 I402 N403 L442 T443	M46-A399 HydrophobicContact CG-CB 4.14Å; M46-A399 HydrophobicContact SD-CB 3.93Å; G395-A399 WeakPolarHBondContact O-CB 3.44Å; G395-A399 PolarHBondContact O-N 2.86Å; A396-A399 PolarHBondContact O-N 2.78Å; G397-A399 VanDerWaalsContact C-N 3.34Å; G397-A399 PolarHBondContact O-N 3.49Å; A399-I402 PolarHBondContact O-N 2.81Å; A399-N403 VanDerWaalsContact O-CB 3.31Å; A399-N403 WeakPolarHBondContact O-CB 3.48Å; A399-N403 PolarHBondContact O-N 2.92Å; A399-N403 PolarHBondContact O-ND2 3.08Å; A399-L442 HydrophobicContact CB-CB 3.5Å; A399-L442 HydrophobicContact CB-CD1 4.02Å; A399-L442 HydrophobicContact CB-CG 4.43Å; A399-T443 HydrophobicContact CB-CG2 3.67Å
400	G	98.4	Very high	96.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61	-45	174.8	0	0	0	0	0	112.2	Q50 A396 G397 L398 Q404	Q50-G400 VanDerWaalsContact CG-O 3.28Å; Q50-G400 WeakPolarHBondContact CG-O 3.35Å; A396-G400 PolarHBondContact O-N 3.47Å; G397-G400 PolarHBondContact O-N 2.96Å; G397-G400 VanDerWaalsContact O-N 3.16Å; L398-G400 PolarHBondContact O-N 3.42Å; G400-Q404 VanDerWaalsContact O-CB 3.31Å; G400-Q404 WeakPolarHBondContact O-CB 3.49Å; G400-Q404 PolarHBondContact O-N 3.09Å
401	V	98.6	Very high	96.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60	-50.4	175.2	176.3	0	0	0	0	111.2	M53 Y246 W269 G397 L398 Q404 M405	M53-V401 HydrophobicContact CE-CB 4.27Å; M53-V401 HydrophobicContact CE-CG1 4.4Å; M53-V401 HydrophobicContact CE-CG2 3.82Å; M53-V401 HydrophobicContact SD-CG2 3.84Å; Y246-V401 HydrophobicContact CD1-CG1 3.7Å; Y246-V401 HydrophobicContact CD2-CG1 4.41Å; Y246-V401 HydrophobicContact CE1-CG1 4.34Å; Y246-V401 HydrophobicContact CG-CG1 3.75Å; W269-V401 HydrophobicContact CE3-CG2 4.08Å; W269-V401 HydrophobicContact CZ3-CG2 3.8Å; G397-V401 PolarHBondContact O-N 2.88Å; L398-V401 HydrophobicContact CD1-CB 4.44Å; L398-V401 WeakPolarHBondContact O-CB 3.08Å; L398-V401 PolarHBondContact O-N 2.91Å; L398-V401 VanDerWaalsContact O-N 3.15Å; V401-Q404 PolarHBondContact O-N 3.26Å; V401-M405 HydrophobicContact CG1-SD 4.16Å; V401-M405 WeakPolarHBondContact O-CG 3.43Å; V401-M405 PolarHBondContact O-N 2.66Å
402	I	98.3	Very high	95.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.7	-44.6	-176	-68.2	176	0	0	0	111.4	L398 A399 Q404 M405 Q406 M414 V418 V439 T443 S446 I448	L398-I402 HydrophobicContact CD1-CD1 4.08Å; L398-I402 HydrophobicContact CD1-CG1 4.12Å; L398-I402 HydrophobicContact CD2-CD1 4.21Å; L398-I402 HydrophobicContact CG-CD1 3.84Å; L398-I402 HydrophobicContact CG-CG1 4.29Å; L398-I402 WeakPolarHBondContact O-CG1 3.26Å; L398-I402 PolarHBondContact O-N 2.86Å; A399-I402 PolarHBondContact O-N 2.81Å; I402-Q404 VanDerWaalsContact C-N 3.35Å; I402-M405 PolarHBondContact O-N 3.26Å; I402-Q406 WeakPolarHBondContact O-CB 3.37Å; I402-Q406 PolarHBondContact O-N 2.57Å; I402-M414 HydrophobicContact CG2-CE 3.65Å; I402-M414 WeakPolarHBondContact O-CE 3.3Å; I402-V418 HydrophobicContact CD1-CG2 4.2Å; I402-V439 HydrophobicContact CD1-CG1 4.03Å; I402-T443 HydrophobicContact CB-CG2 4.04Å; I402-T443 HydrophobicContact CG2-CG2 3.92Å; I402-S446 WeakPolarHBondContact CG2-OG 3.17Å; I402-I448 HydrophobicContact CD1-CD1 3.54Å; I402-I448 HydrophobicContact CD1-CG1 4.16Å; I402-I448 HydrophobicContact CG2-CD1 4.35Å
403	N	97.6	Very high	95.3	Very high	17 Å²	17	33.9 Å²	33.9	9%	0.091	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-39.3	177.5	-74	-23	0	0	0	111.2	M46 A399 M405 Q406 E407 L442	M46-N403 PolarHBondContact SD-ND2 3.35Å; A399-N403 VanDerWaalsContact O-CB 3.31Å; A399-N403 WeakPolarHBondContact O-CB 3.48Å; A399-N403 PolarHBondContact O-N 2.92Å; A399-N403 PolarHBondContact O-ND2 3.08Å; N403-M405 PolarHBondContact O-N 3.07Å; N403-Q406 PolarHBondContact O-N 3.19Å; N403-E407 WeakPolarHBondContact O-CB 3.47Å; N403-E407 VanDerWaalsContact O-CG 3.25Å; N403-E407 WeakPolarHBondContact O-CG 3.32Å; N403-E407 PolarHBondContact O-N 2.95Å; N403-L442 PolarHBondContact ND2-O 2.92Å
404	Q	96.4	Very high	95	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	18%	0.184	C	C	.	.	H	α-helix	trans	-59.2	-48.8	172.2	177.5	168.1	-39.9	0	0	111.3	Q50 M53 Y246 E248 G400 V401 I402 Q406 E407 R408	Q50-Q404 HydrophobicContact CG-CB 4.41Å; M53-Q404 VanDerWaalsContact CB-OE1 3.31Å; Y246-Q404 PolarHBondContact OH-NE2 2.89Å; Y246-Q404 VanDerWaalsContact OH-NE2 3.09Å; E248-Q404 PolarHBondContact OE2-NE2 3.35Å; G400-Q404 VanDerWaalsContact O-CB 3.31Å; G400-Q404 WeakPolarHBondContact O-CB 3.49Å; G400-Q404 PolarHBondContact O-N 3.09Å; V401-Q404 PolarHBondContact O-N 3.26Å; I402-Q404 VanDerWaalsContact C-N 3.35Å; Q404-Q406 VanDerWaalsContact C-N 3.3Å; Q404-Q406 PolarHBondContact O-N 2.99Å; Q404-E407 PolarHBondContact O-N 3.14Å; Q404-R408 HydrophobicContact CG-CG 4.24Å; Q404-R408 VanDerWaalsContact O-CG 3.25Å; Q404-R408 WeakPolarHBondContact O-CG 3.4Å; Q404-R408 PolarHBondContact O-N 3.31Å
405	M	95.9	Very high	94.9	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-57.6	-44	177.2	-69.9	175.6	74.8	0	0	112	E233 V234 Y246 V401 I402 N403 R408 R409 M414 I416	E233-M405 HydrophobicContact CB-CE 3.96Å; V234-M405 HydrophobicContact CG2-CE 4.32Å; V234-M405 HydrophobicContact CG2-SD 3.69Å; Y246-M405 HydrophobicContact CD2-CE 4.18Å; Y246-M405 HydrophobicContact CD2-CG 3.43Å; Y246-M405 VanDerWaalsContact CD2-CG 3.43Å; Y246-M405 HydrophobicContact CD2-SD 3.61Å; Y246-M405 HydrophobicContact CE2-CG 3.84Å; Y246-M405 HydrophobicContact CG-CG 4.27Å; Y246-M405 HydrophobicContact CG-SD 3.96Å; V401-M405 HydrophobicContact CG1-SD 4.16Å; V401-M405 WeakPolarHBondContact O-CG 3.43Å; V401-M405 PolarHBondContact O-N 2.66Å; I402-M405 PolarHBondContact O-N 3.26Å; N403-M405 PolarHBondContact O-N 3.07Å; M405-R408 PolarHBondContact O-N 2.92Å; M405-R409 WeakPolarHBondContact O-CB 3.29Å; M405-R409 WeakPolarHBondContact O-CD 3.25Å; M405-R409 VanDerWaalsContact O-CG 3.26Å; M405-R409 WeakPolarHBondContact O-CG 3.25Å; M405-R409 PolarHBondContact O-N 2.91Å; M405-R409 VanDerWaalsContact O-N 3.12Å; M405-M414 HydrophobicContact CB-CE 4.08Å; M405-M414 HydrophobicContact CB-SD 4.12Å; M405-I416 HydrophobicContact CE-CD1 3.49Å; M405-I416 VanDerWaalsContact CE-CD1 3.49Å; M405-I416 HydrophobicContact SD-CD1 3.74Å
406	Q	95.3	Very high	94.7	Very high	19 Å²	19	39.4 Å²	39.4	9%	0.089	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-48.9	177.6	-175.6	-176.1	4.4	0	0	111.6	I402 N403 Q404 R408 R409 G410 Q411 D412 M414	I402-Q406 WeakPolarHBondContact O-CB 3.37Å; I402-Q406 PolarHBondContact O-N 2.57Å; N403-Q406 PolarHBondContact O-N 3.19Å; Q404-Q406 VanDerWaalsContact C-N 3.3Å; Q404-Q406 PolarHBondContact O-N 2.99Å; Q406-R408 PolarHBondContact O-N 3.25Å; Q406-R409 PolarHBondContact O-N 3.29Å; Q406-G410 PolarHBondContact O-N 3.34Å; Q406-G410 VanDerWaalsContact O-N 3.11Å; Q406-Q411 VanDerWaalsContact CG-O 3.28Å; Q406-Q411 WeakPolarHBondContact CG-O 3.45Å; Q406-Q411 PolarHBondContact NE2-O 2.62Å; Q406-Q411 PolarHBondContact O-N 3.17Å; Q406-D412 PolarHBondContact NE2-O 2.85Å; Q406-D412 VanDerWaalsContact NE2-O 3.14Å; Q406-M414 HydrophobicContact CB-CE 4.22Å; Q406-M414 HydrophobicContact CB-SD 4.42Å; Q406-M414 HydrophobicContact CG-CB 4.34Å
407	E	93.8	Very high	94.7	Very high	129 Å²	129	39.4 Å²	39.4	60%	0.603	21%	0.208	S	C	*	.	H	α-helix	trans	-59.5	-44.8	178.1	-72.6	167.4	-157.8	0	0	111.6	Q50 N403 Q404 R409 G410	Q50-E407 PolarHBondContact NE2-OE1 2.95Å; N403-E407 WeakPolarHBondContact O-CB 3.47Å; N403-E407 VanDerWaalsContact O-CG 3.25Å; N403-E407 WeakPolarHBondContact O-CG 3.32Å; N403-E407 PolarHBondContact O-N 2.95Å; Q404-E407 PolarHBondContact O-N 3.14Å; E407-R409 VanDerWaalsContact C-N 3.28Å; E407-R409 PolarHBondContact O-N 3.5Å; E407-G410 PolarHBondContact O-N 3.09Å; E407-G410 VanDerWaalsContact O-N 3.14Å
408	R	92.5	Very high	94.7	Very high	79 Å²	79	39.4 Å²	39.4	30%	0.298	21%	0.208	S	C	.	.	H	α-helix	trans	-64	-32.3	179.6	-68.1	-53	-174.9	167.9	1.8	113.3	N54 E249 R251 Q404 M405 Q406	N54-R408 PolarHBondContact OD1-NH2 3.34Å; E249-R408 HydrophobicContact CG-CB 4.42Å; R251-R408 PolarHBondContact NH2-O 3.36Å; Q404-R408 HydrophobicContact CG-CG 4.24Å; Q404-R408 VanDerWaalsContact O-CG 3.25Å; Q404-R408 WeakPolarHBondContact O-CG 3.4Å; Q404-R408 PolarHBondContact O-N 3.31Å; M405-R408 PolarHBondContact O-N 2.92Å; Q406-R408 PolarHBondContact O-N 3.25Å
409	R	91.2	Very high	94.6	Very high	50 Å²	50	39.4 Å²	39.4	19%	0.189	21%	0.208	C	C	.	.	H	α-helix	trans	-83.9	-13.2	178	-67.2	170.9	-176.8	-163.4	-1.8	113	E233 M405 Q406 E407 Q411	E233-R409 VanDerWaalsContact CD-NH2 3.27Å; E233-R409 IonicContact OE1-NH2 3.22Å; E233-R409 PolarHBondContact OE1-NH2 3.12Å; E233-R409 IonicContact OE2-CZ 3.1Å; E233-R409 IonicContact OE2-NH1 3.43Å; E233-R409 PolarHBondContact OE2-NH1 2.93Å; E233-R409 IonicContact OE2-NH2 3.57Å; E233-R409 PolarHBondContact OE2-NH2 2.87Å; M405-R409 WeakPolarHBondContact O-CB 3.29Å; M405-R409 WeakPolarHBondContact O-CD 3.25Å; M405-R409 VanDerWaalsContact O-CG 3.26Å; M405-R409 WeakPolarHBondContact O-CG 3.25Å; M405-R409 PolarHBondContact O-N 2.91Å; M405-R409 VanDerWaalsContact O-N 3.12Å; Q406-R409 PolarHBondContact O-N 3.29Å; E407-R409 VanDerWaalsContact C-N 3.28Å; E407-R409 PolarHBondContact O-N 3.5Å; R409-Q411 HydrophobicContact CB-CB 4.43Å; R409-Q411 HydrophobicContact CB-CG 3.89Å; R409-Q411 PolarHBondContact O-N 3.3Å
410	G	89.3	Confident	94.5	Very high	69 Å²	69	39.4 Å²	39.4	71%	0.711	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	33	-176.5	0	0	0	0	0	112.7	Q406 E407	Q406-G410 PolarHBondContact O-N 3.34Å; Q406-G410 VanDerWaalsContact O-N 3.11Å; E407-G410 PolarHBondContact O-N 3.09Å; E407-G410 VanDerWaalsContact O-N 3.14Å
411	Q	87	Confident	94.3	Very high	85 Å²	85	40.3 Å²	40.3	40%	0.397	21%	0.213	S	C	.	.			trans	-97	128.5	-176.9	-73.6	179.5	-17.7	0	0	111.2	Q406 R409 T413	Q406-Q411 VanDerWaalsContact CG-O 3.28Å; Q406-Q411 WeakPolarHBondContact CG-O 3.45Å; Q406-Q411 PolarHBondContact NE2-O 2.62Å; Q406-Q411 PolarHBondContact O-N 3.17Å; R409-Q411 HydrophobicContact CB-CB 4.43Å; R409-Q411 HydrophobicContact CB-CG 3.89Å; R409-Q411 PolarHBondContact O-N 3.3Å; Q411-T413 VanDerWaalsContact C-N 3.28Å; Q411-T413 PolarHBondContact O-N 3.39Å
412	D	85.6	Confident	94	Very high	149 Å²	149	40.8 Å²	40.8	80%	0.797	22%	0.218	S	C	*	.	S	Bend	trans	-63.5	-36.7	174.4	-68.4	-28.7	0	0	0	111.9	Q406	Q406-D412 PolarHBondContact NE2-O 2.85Å; Q406-D412 VanDerWaalsContact NE2-O 3.14Å
413	T	89.8	Confident	93.7	Very high	108 Å²	108	43.5 Å²	43.5	66%	0.663	24%	0.237	S	C	*	.	S	Bend	trans	-135.8	136.9	171.6	52.5	0	0	0	0	110.8	Q411 H445	Q411-T413 VanDerWaalsContact C-N 3.28Å; Q411-T413 PolarHBondContact O-N 3.39Å; T413-H445 VanDerWaalsContact CA-O 3.26Å; T413-H445 WeakPolarHBondContact CA-O 3.4Å
414	M	93.5	Very high	93.6	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.6	179.2	-174.3	176	66.7	0	0	110.1	I402 M405 Q406 I416 H445 S446 E447	I402-M414 HydrophobicContact CG2-CE 3.65Å; I402-M414 WeakPolarHBondContact O-CE 3.3Å; M405-M414 HydrophobicContact CB-CE 4.08Å; M405-M414 HydrophobicContact CB-SD 4.12Å; Q406-M414 HydrophobicContact CB-CE 4.22Å; Q406-M414 HydrophobicContact CB-SD 4.42Å; Q406-M414 HydrophobicContact CG-CB 4.34Å; M414-I416 HydrophobicContact CE-CB 4.19Å; M414-I416 HydrophobicContact CE-CD1 3.75Å; M414-I416 HydrophobicContact CE-CG2 4.12Å; M414-I416 HydrophobicContact CG-CB 4.48Å; M414-I416 HydrophobicContact SD-CD1 4.25Å; M414-H445 PolarHBondContact N-O 2.89Å; M414-S446 CarbonylContact O-C 3.36Å; M414-S446 VanDerWaalsContact O-CA 3.26Å; M414-S446 WeakPolarHBondContact O-CA 3.29Å; M414-E447 PolarHBondContact O-N 3.46Å
415	K	95.3	Very high	93.6	Very high	116 Å²	116	43.1 Å²	43.1	50%	0.504	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125	167.6	-176.6	172.6	-179	168.2	0	108.6	E447	K415-E447 WeakPolarHBondContact CA-O 3.25Å; K415-E447 HydrophobicContact CG-CB 4.46Å; K415-E447 IonicContact NZ-OE1 2.77Å
416	I	96.3	Very high	93.5	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	148.1	-175.6	-163.2	163.4	0	0	0	111.3	E233 V234 M405 M414 E447 I448 T449	E233-I416 HydrophobicContact CB-CD1 4.38Å; E233-I416 HydrophobicContact CB-CG1 4.46Å; V234-I416 HydrophobicContact CG2-CD1 3.7Å; V234-I416 HydrophobicContact CG2-CG1 4.4Å; M405-I416 HydrophobicContact CE-CD1 3.49Å; M405-I416 VanDerWaalsContact CE-CD1 3.49Å; M405-I416 HydrophobicContact SD-CD1 3.74Å; M414-I416 HydrophobicContact CE-CB 4.19Å; M414-I416 HydrophobicContact CE-CD1 3.75Å; M414-I416 HydrophobicContact CE-CG2 4.12Å; M414-I416 HydrophobicContact CG-CB 4.48Å; M414-I416 HydrophobicContact SD-CD1 4.25Å; I416-E447 PolarHBondContact N-O 3.41Å; I416-I448 HydrophobicContact CG2-CB 4.49Å; I416-I448 HydrophobicContact CG2-CG1 3.91Å; I416-I448 HydrophobicContact CG2-CG2 4.48Å; I416-I448 WeakPolarHBondContact O-CA 3.45Å; I416-T449 PolarHBondContact O-N 2.99Å
417	T	97.9	Very high	93.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.8	171.3	-62.8	0	0	0	0	110	D229 S231 C232 E233 T449 L451	D229-T417 HydrophobicContact CB-CG2 4.2Å; D229-T417 WeakPolarHBondContact OD2-CB 3.39Å; D229-T417 PolarHBondContact OD2-OG1 2.95Å; S231-T417 PolarHBondContact O-N 3.23Å; C232-T417 VanDerWaalsContact CA-O 3.32Å; C232-T417 WeakPolarHBondContact CA-O 3.24Å; C232-T417 HydrophobicContact CB-CG2 3.99Å; E233-T417 PolarHBondContact N-O 2.88Å; T417-T449 CarbonylContact C-O 3.51Å; T417-T449 VanDerWaalsContact CA-O 3.26Å; T417-T449 WeakPolarHBondContact CA-O 3.49Å; T417-T449 HydrophobicContact CG2-CG2 4.36Å; T417-T449 WeakPolarHBondContact OG1-CB 3.31Å; T417-L451 HydrophobicContact CG2-CB 4.22Å; T417-L451 HydrophobicContact CG2-CD1 3.56Å; T417-L451 HydrophobicContact CG2-CG 3.58Å
418	V	98.4	Very high	93.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	112.7	178.1	-175.3	0	0	0	0	107.7	V234 M236 L398 I402 V420 I448 T449 F450 L451	V234-V418 HydrophobicContact CB-CB 4.4Å; V234-V418 HydrophobicContact CB-CG1 4.12Å; V234-V418 HydrophobicContact CB-CG2 4.12Å; V234-V418 HydrophobicContact CG1-CG1 3.94Å; V234-V418 HydrophobicContact CG2-CG2 4.48Å; M236-V418 HydrophobicContact CB-CG1 4.38Å; L398-V418 HydrophobicContact CD1-CG1 4.44Å; L398-V418 HydrophobicContact CD2-CG1 4.07Å; L398-V418 HydrophobicContact CD2-CG2 4.26Å; I402-V418 HydrophobicContact CD1-CG2 4.2Å; V418-V420 HydrophobicContact CG1-CG2 3.79Å; V418-I448 HydrophobicContact CG2-CG2 3.92Å; V418-T449 PolarHBondContact N-O 3.44Å; V418-F450 HydrophobicContact CB-CD1 3.78Å; V418-F450 HydrophobicContact CB-CE1 4Å; V418-F450 HydrophobicContact CG1-CD1 4.13Å; V418-F450 HydrophobicContact CG1-CE1 4.18Å; V418-F450 HydrophobicContact CG2-CD1 4.36Å; V418-F450 HydrophobicContact CG2-CE1 4.15Å; V418-F450 WeakPolarHBondContact O-CA 3.42Å; V418-L451 PolarHBondContact O-N 3.27Å
419	G	97.6	Very high	93.8	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	121.2	171.3	0	0	0	0	0	110.2	C225 V234 G235 M236 L451	C225-G419 WeakPolarHBondContact SG-CA 3.18Å; V234-G419 PolarHBondContact O-N 2.92Å; G235-G419 CarbonylContact C-O 3.54Å; G235-G419 WeakPolarHBondContact CA-O 3.4Å; M236-G419 PolarHBondContact N-O 3.35Å; G419-L451 CarbonylContact C-O 3.57Å; G419-L451 WeakPolarHBondContact CA-O 3.33Å
420	V	96.8	Very high	94.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.5	-176.2	-165.4	0	0	0	0	111.3	M236 V418 Y425 F450 L451 Q452 S453	M236-V420 HydrophobicContact CB-CG1 4.45Å; M236-V420 HydrophobicContact CB-CG2 4.41Å; M236-V420 WeakPolarHBondContact O-CA 3.49Å; V418-V420 HydrophobicContact CG1-CG2 3.79Å; V420-Y425 HydrophobicContact CB-CD1 4.09Å; V420-Y425 HydrophobicContact CB-CD2 4.44Å; V420-Y425 HydrophobicContact CB-CE1 3.86Å; V420-Y425 HydrophobicContact CB-CE2 4.22Å; V420-Y425 HydrophobicContact CB-CG 4.37Å; V420-Y425 HydrophobicContact CG1-CD1 3.72Å; V420-Y425 HydrophobicContact CG1-CD2 3.63Å; V420-Y425 HydrophobicContact CG1-CE1 3.96Å; V420-Y425 HydrophobicContact CG1-CE2 3.86Å; V420-Y425 HydrophobicContact CG1-CG 3.54Å; V420-Y425 HydrophobicContact CG2-CE2 4.29Å; V420-F450 HydrophobicContact CG2-CD1 4.03Å; V420-L451 PolarHBondContact N-O 3.18Å; V420-Q452 WeakPolarHBondContact O-CA 3.26Å; V420-S453 PolarHBondContact O-N 2.97Å
421	D	93.6	Very high	94.6	Very high	19 Å²	19	42.5 Å²	42.5	10%	0.102	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	171.9	168.1	-157.7	-20.3	0	0	0	109.7	T221 M236 I237 V238 K426	T221-D421 HydrophobicContact CG2-CB 3.95Å; M236-D421 PolarHBondContact O-N 3.21Å; I237-D421 CarbonylContact C-O 3.58Å; I237-D421 WeakPolarHBondContact CA-O 3.48Å; I237-D421 HydrophobicContact CD1-CB 3.72Å; V238-D421 PolarHBondContact N-O 3.09Å; D421-K426 VanDerWaalsContact CG-NZ 3.32Å; D421-K426 WeakPolarHBondContact OD1-CE 3.46Å; D421-K426 IonicContact OD1-NZ 3.55Å; D421-K426 PolarHBondContact OD1-NZ 3.49Å; D421-K426 IonicContact OD2-NZ 2.71Å
422	G	92	Very high	95	Very high	9 Å²	9	43.5 Å²	43.5	9%	0.093	22%	0.222	C	C	.	.			trans	119	144.5	176.8	0	0	0	0	0	113	V238 V424 Y425 K426	V238-G422 CarbonylContact O-C 3.59Å; V238-G422 WeakPolarHBondContact O-CA 3.43Å; G422-V424 VanDerWaalsContact C-N 3.34Å; G422-V424 PolarHBondContact O-N 2.9Å; G422-Y425 PolarHBondContact O-N 3.34Å; G422-K426 WeakPolarHBondContact O-CB 3.43Å; G422-K426 VanDerWaalsContact O-CG 3.3Å; G422-K426 WeakPolarHBondContact O-CG 3.35Å; G422-K426 PolarHBondContact O-N 2.96Å
423	S	91.8	Very high	95.6	Very high	58 Å²	58	40.4 Å²	40.4	41%	0.406	21%	0.206	S	C	.	.	H	α-helix	trans	-64.7	-33.1	-173.6	50.5	0	0	0	0	113.7	V238 L427	V238-S423 PolarHBondContact O-N 3.42Å; S423-L427 WeakPolarHBondContact O-CB 3.37Å; S423-L427 WeakPolarHBondContact O-CG 3.42Å; S423-L427 PolarHBondContact O-N 2.98Å
424	V	95.6	Very high	96.1	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.024	18%	0.182	C	C	.	.	H	α-helix	trans	-67.3	-48.8	177.9	176.2	0	0	0	0	109.5	V238 G307 M310 T344 G422 K426 H428 F431	V238-V424 HydrophobicContact CG1-CB 4.09Å; V238-V424 HydrophobicContact CG1-CG1 4.22Å; V238-V424 WeakPolarHBondContact O-CB 3.26Å; V238-V424 PolarHBondContact O-N 3.26Å; V238-V424 VanDerWaalsContact O-N 3.11Å; G307-V424 VanDerWaalsContact CA-CG2 3.44Å; M310-V424 HydrophobicContact CE-CG1 3.87Å; T344-V424 HydrophobicContact CG2-CG2 4.46Å; G422-V424 VanDerWaalsContact C-N 3.34Å; G422-V424 PolarHBondContact O-N 2.9Å; V424-K426 VanDerWaalsContact C-N 3.33Å; V424-K426 PolarHBondContact O-N 3.37Å; V424-H428 HydrophobicContact CG1-CB 4.46Å; V424-H428 WeakPolarHBondContact O-CB 3.47Å; V424-H428 PolarHBondContact O-N 2.88Å; V424-H428 VanDerWaalsContact O-N 3.07Å; V424-F431 HydrophobicContact CG1-CB 4.44Å; V424-F431 HydrophobicContact CG1-CD1 4.31Å; V424-F431 HydrophobicContact CG1-CD2 3.54Å; V424-F431 HydrophobicContact CG1-CE2 3.75Å; V424-F431 HydrophobicContact CG1-CG 3.85Å; V424-F431 HydrophobicContact CG1-CZ 4.26Å
425	Y	96.4	Very high	96.3	Very high	6 Å²	6	37 Å²	37	2%	0.024	18%	0.181	C	C	.	.	H	α-helix	trans	-61.7	-40.6	178.2	-176	-93	0	0	0	112.7	V238 V420 G422 R432 F435 H436 Q452	V238-Y425 PolarHBondContact O-N 3.03Å; V420-Y425 HydrophobicContact CB-CD1 4.09Å; V420-Y425 HydrophobicContact CB-CD2 4.44Å; V420-Y425 HydrophobicContact CB-CE1 3.86Å; V420-Y425 HydrophobicContact CB-CE2 4.22Å; V420-Y425 HydrophobicContact CB-CG 4.37Å; V420-Y425 HydrophobicContact CG1-CD1 3.72Å; V420-Y425 HydrophobicContact CG1-CD2 3.63Å; V420-Y425 HydrophobicContact CG1-CE1 3.96Å; V420-Y425 HydrophobicContact CG1-CE2 3.86Å; V420-Y425 HydrophobicContact CG1-CG 3.54Å; V420-Y425 HydrophobicContact CG2-CE2 4.29Å; G422-Y425 PolarHBondContact O-N 3.34Å; Y425-R432 HydrophobicContact CD2-CB 4.42Å; Y425-R432 HydrophobicContact CD2-CG 4.48Å; Y425-R432 HydrophobicContact CE1-CG 4.4Å; Y425-R432 HydrophobicContact CE2-CB 4.12Å; Y425-R432 HydrophobicContact CE2-CG 3.71Å; Y425-F435 HydrophobicContact CD2-CD1 4.36Å; Y425-F435 AromaticContact CE2-CD1 3.91Å; Y425-F435 HydrophobicContact CE2-CD1 3.91Å; Y425-F435 HydrophobicContact CE2-CE1 4.02Å; Y425-H436 AromaticContact CE2-NE2 3.74Å; Y425-H436 AromaticContact CZ-NE2 3.75Å; Y425-H436 PolarHBondContact OH-CE1 3.15Å; Y425-H436 PolarHBondContact OH-NE2 2.93Å; Y425-Q452 HydrophobicContact CE1-CB 4.28Å; Y425-Q452 HydrophobicContact CE1-CG 4.3Å
426	K	93.8	Very high	96.5	Very high	62 Å²	62	32.4 Å²	32.4	27%	0.27	16%	0.161	S	C	.	.	H	α-helix	trans	-77.4	-38.8	-176.3	-72.6	176.6	168.3	177.5	0	114.2	D421 G422 V424 Q452 S453	D421-K426 VanDerWaalsContact CG-NZ 3.32Å; D421-K426 WeakPolarHBondContact OD1-CE 3.46Å; D421-K426 IonicContact OD1-NZ 3.55Å; D421-K426 PolarHBondContact OD1-NZ 3.49Å; D421-K426 IonicContact OD2-NZ 2.71Å; G422-K426 WeakPolarHBondContact O-CB 3.43Å; G422-K426 VanDerWaalsContact O-CG 3.3Å; G422-K426 WeakPolarHBondContact O-CG 3.35Å; G422-K426 PolarHBondContact O-N 2.96Å; V424-K426 VanDerWaalsContact C-N 3.33Å; V424-K426 PolarHBondContact O-N 3.37Å; K426-Q452 HydrophobicContact CG-CG 4.08Å; K426-S453 WeakPolarHBondContact CE-O 3.47Å; K426-S453 PolarHBondContact NZ-O 3.28Å
427	L	93.7	Very high	96.6	Very high	130 Å²	130	37.9 Å²	37.9	68%	0.681	19%	0.187	S	C	*	.	H	α-helix	trans	-109.4	-20.4	-165.5	-53.2	177.4	0	0	0	113.6	S423	S423-L427 WeakPolarHBondContact O-CB 3.37Å; S423-L427 WeakPolarHBondContact O-CG 3.42Å; S423-L427 PolarHBondContact O-N 2.98Å
428	H	97.4	Very high	96.6	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.032	19%	0.188	C	C	.	.			trans	-76.8	129	178	-167.7	-78	0	0	0	110.4	S348 E351 S387 V424 Y430 F431	S348-H428 PolarHBondContact OG-CD2 3Å; S348-H428 VanDerWaalsContact OG-CD2 3.3Å; E351-H428 VanDerWaalsContact CD-CE1 3.47Å; E351-H428 IonicContact OE1-CE1 2.78Å; E351-H428 PolarHBondContact OE1-CE1 2.88Å; E351-H428 VanDerWaalsContact OE1-CE1 3.22Å; E351-H428 IonicContact OE1-NE2 3.51Å; E351-H428 PolarHBondContact OE1-NE2 2.61Å; E351-H428 VanDerWaalsContact OE1-NE2 3.1Å; E351-H428 IonicContact OE2-CE1 3.82Å; S387-H428 WeakPolarHBondContact CB-NE2 3.39Å; S387-H428 PolarHBondContact OG-CE1 3.17Å; V424-H428 HydrophobicContact CG1-CB 4.46Å; V424-H428 WeakPolarHBondContact O-CB 3.47Å; V424-H428 PolarHBondContact O-N 2.88Å; V424-H428 VanDerWaalsContact O-N 3.07Å; H428-Y430 VanDerWaalsContact C-N 3.32Å; H428-Y430 PolarHBondContact ND1-N 3.27Å; H428-Y430 PolarHBondContact O-N 3.24Å; H428-F431 HydrophobicContact CB-CB 3.69Å; H428-F431 PolarHBondContact ND1-N 3.25Å
429	P	97.1	Very high	96.6	Very high	49 Å²	49	38.1 Å²	38.1	32%	0.318	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.5	-168.6	22.6	-34.2	0	0	0	114.2	E351	E351-P429 HydrophobicContact CB-CG 3.78Å
430	Y	97.9	Very high	96.6	Very high	87 Å²	87	44.7 Å²	44.7	34%	0.341	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-1.7	-173.1	-54.3	-64.3	0	0	0	114.9	E351 H428 R432 D433 R434	E351-Y430 HydrophobicContact CB-CD2 4.02Å; E351-Y430 HydrophobicContact CB-CE2 4.03Å; E351-Y430 VanDerWaalsContact O-CE2 3.3Å; E351-Y430 WeakPolarHBondContact O-CE2 3.36Å; E351-Y430 WeakPolarHBondContact OE2-CD2 3.37Å; H428-Y430 VanDerWaalsContact C-N 3.32Å; H428-Y430 PolarHBondContact ND1-N 3.27Å; H428-Y430 PolarHBondContact O-N 3.24Å; Y430-R432 PolarHBondContact O-N 3.33Å; Y430-D433 PolarHBondContact O-N 2.81Å; Y430-R434 WeakPolarHBondContact O-CG 3.18Å; Y430-R434 PolarHBondContact O-N 3.34Å; Y430-R434 VanDerWaalsContact O-N 3.17Å
431	F	98.4	Very high	96.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-48.2	-172.5	-175.9	-79.6	0	0	0	110.2	V238 I305 M310 A391 C394 V424 H428 D433 R434 F435	V238-F431 HydrophobicContact CG1-CE1 3.85Å; V238-F431 HydrophobicContact CG1-CE2 4.48Å; V238-F431 HydrophobicContact CG1-CZ 3.68Å; I305-F431 HydrophobicContact CG2-CZ 4.42Å; M310-F431 HydrophobicContact CE-CD2 4.28Å; M310-F431 HydrophobicContact CE-CE2 4.25Å; A391-F431 HydrophobicContact CB-CD1 4.46Å; A391-F431 HydrophobicContact CB-CD2 3.86Å; A391-F431 HydrophobicContact CB-CE1 4.44Å; A391-F431 HydrophobicContact CB-CE2 3.88Å; A391-F431 HydrophobicContact CB-CG 4.16Å; A391-F431 HydrophobicContact CB-CZ 4.16Å; C394-F431 HydrophobicContact CB-CZ 4.1Å; V424-F431 HydrophobicContact CG1-CB 4.44Å; V424-F431 HydrophobicContact CG1-CD1 4.31Å; V424-F431 HydrophobicContact CG1-CD2 3.54Å; V424-F431 HydrophobicContact CG1-CE2 3.75Å; V424-F431 HydrophobicContact CG1-CG 3.85Å; V424-F431 HydrophobicContact CG1-CZ 4.26Å; H428-F431 HydrophobicContact CB-CB 3.69Å; H428-F431 PolarHBondContact ND1-N 3.25Å; F431-D433 VanDerWaalsContact C-N 3.34Å; F431-D433 PolarHBondContact O-N 2.95Å; F431-R434 PolarHBondContact O-N 2.86Å; F431-F435 HydrophobicContact CD1-CB 4.23Å; F431-F435 HydrophobicContact CE1-CB 4.09Å; F431-F435 HydrophobicContact CE1-CG 4.37Å; F431-F435 WeakPolarHBondContact O-CB 3.47Å; F431-F435 PolarHBondContact O-N 2.88Å
432	R	97.3	Very high	96.9	Very high	106 Å²	106	48.2 Å²	48.2	40%	0.4	23%	0.229	S	C	.	.	H	α-helix	trans	-54.9	-47.9	179.8	-179.1	179.6	70.3	-164	-1.8	112.2	Y425 Y430 F435 H436	Y425-R432 HydrophobicContact CD2-CB 4.42Å; Y425-R432 HydrophobicContact CD2-CG 4.48Å; Y425-R432 HydrophobicContact CE1-CG 4.4Å; Y425-R432 HydrophobicContact CE2-CB 4.12Å; Y425-R432 HydrophobicContact CE2-CG 3.71Å; Y430-R432 PolarHBondContact O-N 3.33Å; R432-F435 PolarHBondContact O-N 2.82Å; R432-H436 WeakPolarHBondContact CG-CE1 3.42Å; R432-H436 WeakPolarHBondContact O-CB 3.48Å; R432-H436 PolarHBondContact O-CD2 2.95Å; R432-H436 PolarHBondContact O-N 2.58Å
433	D	98.2	Very high	97.2	Very high	85 Å²	85	47.9 Å²	47.9	46%	0.455	23%	0.225	S	C	.	.	H	α-helix	trans	-69.7	-43.6	-173.7	-62.3	-10.6	0	0	0	111.1	Y430 F431 H436 Q437	Y430-D433 PolarHBondContact O-N 2.81Å; F431-D433 VanDerWaalsContact C-N 3.34Å; F431-D433 PolarHBondContact O-N 2.95Å; D433-H436 PolarHBondContact O-N 2.96Å; D433-Q437 WeakPolarHBondContact O-CB 3.35Å; D433-Q437 PolarHBondContact O-N 2.83Å
434	R	98.6	Very high	97.3	Very high	40 Å²	40	49.6 Å²	49.6	15%	0.151	24%	0.235	C	C	.	.	H	α-helix	trans	-62.3	-43.5	174.7	-66.7	173.8	-174.2	149.5	4.1	111.6	E351 S387 T388 A391 Y430 F431 Q437 V438	E351-R434 IonicContact OE1-NH1 3.86Å; E351-R434 IonicContact OE2-CZ 3.47Å; E351-R434 VanDerWaalsContact OE2-CZ 3.31Å; E351-R434 IonicContact OE2-NH1 2.77Å; E351-R434 PolarHBondContact OE2-NH1 2.95Å; E351-R434 IonicContact OE2-NH2 3.73Å; E351-R434 PolarHBondContact OE2-NH2 3.1Å; S387-R434 PolarHBondContact OG-NH1 3.33Å; T388-R434 WeakPolarHBondContact OG1-CD 3.32Å; T388-R434 VanDerWaalsContact OG1-CZ 3.24Å; T388-R434 PolarHBondContact OG1-NE 3.29Å; T388-R434 PolarHBondContact OG1-NH1 2.81Å; A391-R434 HydrophobicContact CB-CB 3.78Å; Y430-R434 WeakPolarHBondContact O-CG 3.18Å; Y430-R434 PolarHBondContact O-N 3.34Å; Y430-R434 VanDerWaalsContact O-N 3.17Å; F431-R434 PolarHBondContact O-N 2.86Å; R434-Q437 PolarHBondContact O-N 2.93Å; R434-V438 PolarHBondContact O-N 2.91Å
435	F	98.6	Very high	97.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62	-50.6	176.3	164.8	-109.5	0	0	0	111.6	M236 A391 C394 L398 Y425 F431 R432 Q437 V438 V439 F450	M236-F435 HydrophobicContact CE-CE2 3.73Å; M236-F435 HydrophobicContact CE-CZ 3.71Å; M236-F435 HydrophobicContact SD-CE2 4.23Å; M236-F435 HydrophobicContact SD-CZ 3.66Å; A391-F435 HydrophobicContact CB-CB 4.21Å; C394-F435 HydrophobicContact CB-CD2 4.12Å; C394-F435 HydrophobicContact CB-CE2 4.4Å; L398-F435 HydrophobicContact CB-CE2 4.17Å; L398-F435 HydrophobicContact CB-CZ 4.3Å; L398-F435 HydrophobicContact CD2-CE1 4.27Å; L398-F435 HydrophobicContact CD2-CE2 4.09Å; L398-F435 HydrophobicContact CD2-CZ 3.41Å; L398-F435 VanDerWaalsContact CD2-CZ 3.41Å; L398-F435 HydrophobicContact CG-CZ 4.47Å; Y425-F435 HydrophobicContact CD2-CD1 4.36Å; Y425-F435 AromaticContact CE2-CD1 3.91Å; Y425-F435 HydrophobicContact CE2-CD1 3.91Å; Y425-F435 HydrophobicContact CE2-CE1 4.02Å; F431-F435 HydrophobicContact CD1-CB 4.23Å; F431-F435 HydrophobicContact CE1-CB 4.09Å; F431-F435 HydrophobicContact CE1-CG 4.37Å; F431-F435 WeakPolarHBondContact O-CB 3.47Å; F431-F435 PolarHBondContact O-N 2.88Å; R432-F435 PolarHBondContact O-N 2.82Å; F435-Q437 VanDerWaalsContact C-N 3.28Å; F435-Q437 PolarHBondContact O-N 2.7Å; F435-V438 PolarHBondContact O-N 2.75Å; F435-V439 HydrophobicContact CD2-CG2 4.1Å; F435-V439 HydrophobicContact CE2-CG2 3.77Å; F435-V439 HydrophobicContact CZ-CG2 4.03Å; F435-V439 VanDerWaalsContact O-CG2 3.32Å; F435-V439 WeakPolarHBondContact O-CG2 3.37Å; F435-V439 PolarHBondContact O-N 2.92Å; F435-F450 HydrophobicContact CD1-CE1 4.44Å; F435-F450 HydrophobicContact CE1-CD1 4.06Å; F435-F450 AromaticContact CE1-CE1 3.47Å; F435-F450 HydrophobicContact CE1-CE1 3.47Å; F435-F450 VanDerWaalsContact CE1-CE1 3.47Å; F435-F450 HydrophobicContact CE1-CZ 4.04Å; F435-F450 AromaticContact CZ-CE1 3.94Å; F435-F450 HydrophobicContact CZ-CE1 3.94Å
436	H	98.5	Very high	97.2	Very high	18 Å²	18	55.2 Å²	55.2	8%	0.083	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-36.5	178.7	-68.8	-178.6	0	0	0	112.5	Y425 R432 D433 R440 F450	Y425-H436 AromaticContact CE2-NE2 3.74Å; Y425-H436 AromaticContact CZ-NE2 3.75Å; Y425-H436 PolarHBondContact OH-CE1 3.15Å; Y425-H436 PolarHBondContact OH-NE2 2.93Å; R432-H436 WeakPolarHBondContact CG-CE1 3.42Å; R432-H436 WeakPolarHBondContact O-CB 3.48Å; R432-H436 PolarHBondContact O-CD2 2.95Å; R432-H436 PolarHBondContact O-N 2.58Å; D433-H436 PolarHBondContact O-N 2.96Å; H436-R440 WeakPolarHBondContact O-CB 3.46Å; H436-R440 VanDerWaalsContact O-CG 3.32Å; H436-R440 WeakPolarHBondContact O-CG 3.4Å; H436-R440 PolarHBondContact O-N 3.12Å; H436-F450 HydrophobicContact CB-CE2 4.19Å; H436-F450 AromaticContact CD2-CD1 3.84Å; H436-F450 AromaticContact CD2-CD2 3.38Å; H436-F450 WeakPolarHBondContact CD2-CD2 3.47Å; H436-F450 AromaticContact CD2-CE1 3.86Å; H436-F450 AromaticContact CD2-CE2 3.39Å; H436-F450 WeakPolarHBondContact CD2-CE2 3.43Å; H436-F450 AromaticContact CD2-CG 3.6Å; H436-F450 AromaticContact CD2-CZ 3.63Å; H436-F450 AromaticContact CE1-CD2 3.56Å; H436-F450 AromaticContact CE1-CG 3.62Å; H436-F450 AromaticContact CG-CD2 3.73Å; H436-F450 AromaticContact CG-CE2 3.74Å; H436-F450 AromaticContact ND1-CD2 3.82Å; H436-F450 WeakPolarHBondContact NE2-CB 3.35Å; H436-F450 AromaticContact NE2-CD1 3.53Å; H436-F450 AromaticContact NE2-CD2 3.3Å; H436-F450 VanDerWaalsContact NE2-CD2 3.3Å; H436-F450 WeakPolarHBondContact NE2-CD2 3.33Å; H436-F450 AromaticContact NE2-CE2 3.83Å; H436-F450 AromaticContact NE2-CG 3.12Å; H436-F450 WeakPolarHBondContact NE2-CG 3.36Å
437	Q	98.3	Very high	97.3	Very high	116 Å²	116	57.8 Å²	57.8	54%	0.542	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-51.7	176.7	179	-178.4	-14.3	0	0	111	D433 R434 F435 R440 E441	D433-Q437 WeakPolarHBondContact O-CB 3.35Å; D433-Q437 PolarHBondContact O-N 2.83Å; R434-Q437 PolarHBondContact O-N 2.93Å; F435-Q437 VanDerWaalsContact C-N 3.28Å; F435-Q437 PolarHBondContact O-N 2.7Å; Q437-R440 PolarHBondContact O-N 3.33Å; Q437-E441 WeakPolarHBondContact O-CB 3.46Å; Q437-E441 PolarHBondContact O-N 3.13Å
438	V	98.7	Very high	97.5	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.03	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-44.2	-179.5	171.2	0	0	0	0	111.5	L42 H392 R434 F435 R440 E441 L442	L42-V438 HydrophobicContact CD1-CG1 4.05Å; L42-V438 HydrophobicContact CD1-CG2 4.18Å; H392-V438 HydrophobicContact CB-CG2 4.11Å; H392-V438 WeakPolarHBondContact CD2-CG2 3.32Å; R434-V438 PolarHBondContact O-N 2.91Å; F435-V438 PolarHBondContact O-N 2.75Å; V438-R440 PolarHBondContact O-N 3.31Å; V438-E441 PolarHBondContact O-N 2.88Å; V438-L442 HydrophobicContact CG1-CD1 3.65Å; V438-L442 HydrophobicContact CG1-CG 4.27Å; V438-L442 WeakPolarHBondContact O-CG 3.48Å; V438-L442 PolarHBondContact O-N 3.04Å
439	V	98.6	Very high	97.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.8	-50.7	178.6	178.9	0	0	0	0	110.1	L398 I402 F435 E441 L442 T443 I448 F450	L398-V439 HydrophobicContact CB-CG2 4.21Å; L398-V439 HydrophobicContact CD2-CG1 4.26Å; L398-V439 HydrophobicContact CD2-CG2 3.98Å; L398-V439 HydrophobicContact CG-CG1 4.45Å; L398-V439 HydrophobicContact CG-CG2 4.37Å; I402-V439 HydrophobicContact CD1-CG1 4.03Å; F435-V439 HydrophobicContact CD2-CG2 4.1Å; F435-V439 HydrophobicContact CE2-CG2 3.77Å; F435-V439 HydrophobicContact CZ-CG2 4.03Å; F435-V439 VanDerWaalsContact O-CG2 3.32Å; F435-V439 WeakPolarHBondContact O-CG2 3.37Å; F435-V439 PolarHBondContact O-N 2.92Å; V439-E441 VanDerWaalsContact C-N 3.29Å; V439-E441 PolarHBondContact O-N 3.3Å; V439-L442 PolarHBondContact O-N 3.36Å; V439-T443 HydrophobicContact CG1-CG2 4.35Å; V439-T443 WeakPolarHBondContact O-CG2 3.08Å; V439-T443 PolarHBondContact O-N 3.41Å; V439-T443 PolarHBondContact O-OG1 3.48Å; V439-I448 HydrophobicContact CG1-CD1 3.56Å; V439-F450 HydrophobicContact CB-CZ 4.14Å; V439-F450 HydrophobicContact CG1-CZ 4.02Å; V439-F450 HydrophobicContact CG2-CZ 4.23Å
440	R	98	Very high	97.5	Very high	137 Å²	137	53.4 Å²	53.4	52%	0.517	25%	0.251	S	S	.	.	H	α-helix	trans	-62.1	-36	179.9	-71.1	-178.1	-170.7	114.9	5.2	113	H436 Q437 V438 L442	H436-R440 WeakPolarHBondContact O-CB 3.46Å; H436-R440 VanDerWaalsContact O-CG 3.32Å; H436-R440 WeakPolarHBondContact O-CG 3.4Å; H436-R440 PolarHBondContact O-N 3.12Å; Q437-R440 PolarHBondContact O-N 3.33Å; V438-R440 PolarHBondContact O-N 3.31Å; R440-L442 VanDerWaalsContact C-N 3.34Å
441	E	98.1	Very high	97.5	Very high	83 Å²	83	51 Å²	51	39%	0.388	24%	0.244	S	C	.	.	H	α-helix	trans	-66.2	-37.4	177.5	177.4	164.9	-162.2	0	0	112.4	K39 Q437 V438 V439	K39-E441 VanDerWaalsContact CD-OE1 3.29Å; K39-E441 WeakPolarHBondContact CD-OE1 3.31Å; K39-E441 WeakPolarHBondContact CE-OE1 3.47Å; K39-E441 IonicContact NZ-OE1 3.48Å; K39-E441 PolarHBondContact NZ-OE1 3.23Å; Q437-E441 WeakPolarHBondContact O-CB 3.46Å; Q437-E441 PolarHBondContact O-N 3.13Å; V438-E441 PolarHBondContact O-N 2.88Å; V439-E441 VanDerWaalsContact C-N 3.29Å; V439-E441 PolarHBondContact O-N 3.3Å
442	L	98.5	Very high	97.3	Very high	11 Å²	11	54.5 Å²	54.5	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-90.2	-10.3	-177.1	-62.6	177.9	0	0	0	113.8	L42 E43 M46 A396 A399 N403 V438 V439 R440 P444	L42-L442 HydrophobicContact CB-CD1 4.08Å; E43-L442 HydrophobicContact CG-CD2 3.53Å; M46-L442 HydrophobicContact SD-CB 4.02Å; A396-L442 HydrophobicContact CB-CD1 4.01Å; A399-L442 HydrophobicContact CB-CB 3.5Å; A399-L442 HydrophobicContact CB-CD1 4.02Å; A399-L442 HydrophobicContact CB-CG 4.43Å; N403-L442 PolarHBondContact ND2-O 2.92Å; V438-L442 HydrophobicContact CG1-CD1 3.65Å; V438-L442 HydrophobicContact CG1-CG 4.27Å; V438-L442 WeakPolarHBondContact O-CG 3.48Å; V438-L442 PolarHBondContact O-N 3.04Å; V439-L442 PolarHBondContact O-N 3.36Å; R440-L442 VanDerWaalsContact C-N 3.34Å; L442-P444 WeakPolarHBondContact O-CD 3.4Å
443	T	97.3	Very high	96.8	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	24%	0.242	C	C	.	.			trans	-123.3	59.1	177.6	68.2	0	0	0	0	111.8	A399 I402 V439 H445 S446 I448	A399-T443 HydrophobicContact CB-CG2 3.67Å; I402-T443 HydrophobicContact CB-CG2 4.04Å; I402-T443 HydrophobicContact CG2-CG2 3.92Å; V439-T443 HydrophobicContact CG1-CG2 4.35Å; V439-T443 WeakPolarHBondContact O-CG2 3.08Å; V439-T443 PolarHBondContact O-N 3.41Å; V439-T443 PolarHBondContact O-OG1 3.48Å; T443-H445 PolarHBondContact O-N 3.14Å; T443-S446 PolarHBondContact O-N 2.71Å; T443-S446 VanDerWaalsContact O-N 3.09Å; T443-I448 HydrophobicContact CG2-CD1 4.44Å; T443-I448 WeakPolarHBondContact OG1-CD1 3.48Å
444	P	95	Very high	95.6	Very high	95 Å²	95	53.3 Å²	53.3	62%	0.617	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.6	-171.8	26.9	-36.2	0	0	0	114.4	L442	L442-P444 WeakPolarHBondContact O-CD 3.4Å
445	H	93.8	Very high	94.3	Very high	109 Å²	109	53.8 Å²	53.8	51%	0.505	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	7.3	-178.5	-57.2	-63.2	0	0	0	113.7	T413 M414 T443	T413-H445 VanDerWaalsContact CA-O 3.26Å; T413-H445 WeakPolarHBondContact CA-O 3.4Å; M414-H445 PolarHBondContact N-O 2.89Å; T443-H445 PolarHBondContact O-N 3.14Å
446	S	95.3	Very high	93	Very high	18 Å²	18	53.8 Å²	53.8	13%	0.126	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.4	179.4	-67.9	0	0	0	0	112	I402 M414 T443	I402-S446 WeakPolarHBondContact CG2-OG 3.17Å; M414-S446 CarbonylContact O-C 3.36Å; M414-S446 VanDerWaalsContact O-CA 3.26Å; M414-S446 WeakPolarHBondContact O-CA 3.29Å; T443-S446 PolarHBondContact O-N 2.71Å; T443-S446 VanDerWaalsContact O-N 3.09Å
447	E	95.8	Very high	92.2	Very high	117 Å²	117	53.2 Å²	53.2	55%	0.547	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	104.9	169.2	-173.3	-171.6	151.6	0	0	108.6	M414 K415 I416	M414-E447 PolarHBondContact O-N 3.46Å; K415-E447 WeakPolarHBondContact CA-O 3.25Å; K415-E447 HydrophobicContact CG-CB 4.46Å; K415-E447 IonicContact NZ-OE1 2.77Å; I416-E447 PolarHBondContact N-O 3.41Å
448	I	97.5	Very high	91.5	Very high	19 Å²	19	47.7 Å²	47.7	10%	0.097	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.3	-170.6	-55	167.8	0	0	0	111.2	I402 I416 V418 V439 T443 F450	I402-I448 HydrophobicContact CD1-CD1 3.54Å; I402-I448 HydrophobicContact CD1-CG1 4.16Å; I402-I448 HydrophobicContact CG2-CD1 4.35Å; I416-I448 HydrophobicContact CG2-CB 4.49Å; I416-I448 HydrophobicContact CG2-CG1 3.91Å; I416-I448 HydrophobicContact CG2-CG2 4.48Å; I416-I448 WeakPolarHBondContact O-CA 3.45Å; V418-I448 HydrophobicContact CG2-CG2 3.92Å; V439-I448 HydrophobicContact CG1-CD1 3.56Å; T443-I448 HydrophobicContact CG2-CD1 4.44Å; T443-I448 WeakPolarHBondContact OG1-CD1 3.48Å; I448-F450 HydrophobicContact CB-CE2 4.37Å; I448-F450 HydrophobicContact CG2-CD2 3.98Å; I448-F450 HydrophobicContact CG2-CE1 4.28Å; I448-F450 HydrophobicContact CG2-CE2 3.57Å; I448-F450 HydrophobicContact CG2-CZ 3.74Å
449	T	98.1	Very high	91	Very high	48 Å²	48	48.9 Å²	48.9	29%	0.294	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.4	165.8	-56.7	0	0	0	0	109.4	I416 T417 V418 L451	I416-T449 PolarHBondContact O-N 2.99Å; T417-T449 CarbonylContact C-O 3.51Å; T417-T449 VanDerWaalsContact CA-O 3.26Å; T417-T449 WeakPolarHBondContact CA-O 3.49Å; T417-T449 HydrophobicContact CG2-CG2 4.36Å; T417-T449 WeakPolarHBondContact OG1-CB 3.31Å; V418-T449 PolarHBondContact N-O 3.44Å; T449-L451 HydrophobicContact CG2-CD2 4.18Å; T449-L451 HydrophobicContact CG2-CG 4.32Å
450	F	97.9	Very high	90.5	Very high	26 Å²	26	48.9 Å²	48.9	11%	0.114	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.7	171.8	-68.4	-87.1	0	0	0	109.4	L398 V418 V420 F435 H436 V439 I448	L398-F450 HydrophobicContact CD2-CE1 3.63Å; L398-F450 HydrophobicContact CD2-CZ 4.1Å; V418-F450 HydrophobicContact CB-CD1 3.78Å; V418-F450 HydrophobicContact CB-CE1 4Å; V418-F450 HydrophobicContact CG1-CD1 4.13Å; V418-F450 HydrophobicContact CG1-CE1 4.18Å; V418-F450 HydrophobicContact CG2-CD1 4.36Å; V418-F450 HydrophobicContact CG2-CE1 4.15Å; V418-F450 WeakPolarHBondContact O-CA 3.42Å; V420-F450 HydrophobicContact CG2-CD1 4.03Å; F435-F450 HydrophobicContact CD1-CE1 4.44Å; F435-F450 HydrophobicContact CE1-CD1 4.06Å; F435-F450 AromaticContact CE1-CE1 3.47Å; F435-F450 HydrophobicContact CE1-CE1 3.47Å; F435-F450 VanDerWaalsContact CE1-CE1 3.47Å; F435-F450 HydrophobicContact CE1-CZ 4.04Å; F435-F450 AromaticContact CZ-CE1 3.94Å; F435-F450 HydrophobicContact CZ-CE1 3.94Å; H436-F450 HydrophobicContact CB-CE2 4.19Å; H436-F450 AromaticContact CD2-CD1 3.84Å; H436-F450 AromaticContact CD2-CD2 3.38Å; H436-F450 WeakPolarHBondContact CD2-CD2 3.47Å; H436-F450 AromaticContact CD2-CE1 3.86Å; H436-F450 AromaticContact CD2-CE2 3.39Å; H436-F450 WeakPolarHBondContact CD2-CE2 3.43Å; H436-F450 AromaticContact CD2-CG 3.6Å; H436-F450 AromaticContact CD2-CZ 3.63Å; H436-F450 AromaticContact CE1-CD2 3.56Å; H436-F450 AromaticContact CE1-CG 3.62Å; H436-F450 AromaticContact CG-CD2 3.73Å; H436-F450 AromaticContact CG-CE2 3.74Å; H436-F450 AromaticContact ND1-CD2 3.82Å; H436-F450 WeakPolarHBondContact NE2-CB 3.35Å; H436-F450 AromaticContact NE2-CD1 3.53Å; H436-F450 AromaticContact NE2-CD2 3.3Å; H436-F450 VanDerWaalsContact NE2-CD2 3.3Å; H436-F450 WeakPolarHBondContact NE2-CD2 3.33Å; H436-F450 AromaticContact NE2-CE2 3.83Å; H436-F450 AromaticContact NE2-CG 3.12Å; H436-F450 WeakPolarHBondContact NE2-CG 3.36Å; V439-F450 HydrophobicContact CB-CZ 4.14Å; V439-F450 HydrophobicContact CG1-CZ 4.02Å; V439-F450 HydrophobicContact CG2-CZ 4.23Å; I448-F450 HydrophobicContact CB-CE2 4.37Å; I448-F450 HydrophobicContact CG2-CD2 3.98Å; I448-F450 HydrophobicContact CG2-CE1 4.28Å; I448-F450 HydrophobicContact CG2-CE2 3.57Å; I448-F450 HydrophobicContact CG2-CZ 3.74Å
451	L	96.2	Very high	90.2	Very high	38 Å²	38	42.4 Å²	42.4	20%	0.199	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.1	174.9	-68.6	-176.5	0	0	0	109.8	C225 E228 D229 T417 V418 G419 V420 T449	C225-L451 HydrophobicContact CB-CB 4.46Å; E228-L451 HydrophobicContact CB-CD1 4.32Å; D229-L451 HydrophobicContact CB-CD1 3.54Å; T417-L451 HydrophobicContact CG2-CB 4.22Å; T417-L451 HydrophobicContact CG2-CD1 3.56Å; T417-L451 HydrophobicContact CG2-CG 3.58Å; V418-L451 PolarHBondContact O-N 3.27Å; G419-L451 CarbonylContact C-O 3.57Å; G419-L451 WeakPolarHBondContact CA-O 3.33Å; V420-L451 PolarHBondContact N-O 3.18Å; T449-L451 HydrophobicContact CG2-CD2 4.18Å; T449-L451 HydrophobicContact CG2-CG 4.32Å
452	Q	94.1	Very high	89.8	Confident	73 Å²	73	38.4 Å²	38.4	34%	0.341	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	123.4	174	-175.9	-177.2	-60.5	0	0	109.2	V420 Y425 K426	V420-Q452 WeakPolarHBondContact O-CA 3.26Å; Y425-Q452 HydrophobicContact CE1-CB 4.28Å; Y425-Q452 HydrophobicContact CE1-CG 4.3Å; K426-Q452 HydrophobicContact CG-CG 4.08Å
453	S	87.6	Confident	89.3	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.007	19%	0.191	C	C	.	.			trans	-83.4	131	177.2	-154.5	0	0	0	0	111.4	V420 K426 G456	V420-S453 PolarHBondContact O-N 2.97Å; K426-S453 WeakPolarHBondContact CE-O 3.47Å; K426-S453 PolarHBondContact NZ-O 3.28Å; S453-G456 WeakPolarHBondContact OG-CA 3.26Å; S453-G456 PolarHBondContact OG-N 3Å
454	E	73.9	Confident	89	Confident	164 Å²	164	38.2 Å²	38.2	77%	0.766	19%	0.193	S	C	*	.	S	Bend	trans	-84.7	-36.4	176.9	-65.4	-161.3	160.8	0	0	112.9
455	E	70.8	Confident	88.7	Confident	51 Å²	51	33.7 Å²	33.7	24%	0.238	16%	0.163	C	C	.	.	S	Bend	trans	-136.6	39.1	-179.9	-60	-169.2	148.8	0	0	112.4	M99 T115 N117 S457 G458 R459	M99-E455 HydrophobicContact CE-CB 4.33Å; M99-E455 WeakPolarHBondContact CE-OE2 3.43Å; T115-E455 VanDerWaalsContact CB-OE2 3.32Å; T115-E455 WeakPolarHBondContact CB-OE2 3.28Å; T115-E455 PolarHBondContact OG1-OE2 3.14Å; N117-E455 PolarHBondContact ND2-OE1 3.2Å; E455-S457 PolarHBondContact O-N 3.26Å; E455-G458 PolarHBondContact O-N 2.65Å; E455-R459 WeakPolarHBondContact O-CB 3.49Å; E455-R459 PolarHBondContact O-N 3.42Å; E455-R459 VanDerWaalsContact O-N 3.11Å
456	G	72.1	Confident	88.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.2	-47.9	-160.7	0	0	0	0	0	115.8	A220 S224 S453 G460	A220-G456 CarbonylContact C-O 3.49Å; S224-G456 VanDerWaalsContact CB-O 3.3Å; S224-G456 WeakPolarHBondContact CB-O 3.43Å; S453-G456 WeakPolarHBondContact OG-CA 3.26Å; S453-G456 PolarHBondContact OG-N 3Å; G456-G460 WeakPolarHBondContact O-CA 3.05Å; G456-G460 PolarHBondContact O-N 3.22Å
457	S	80.6	Confident	87.9	Confident	5 Å²	5	28.6 Å²	28.6	4%	0.035	14%	0.139	C	C	.	.	H	α-helix	trans	-63.3	-45.3	-175.6	48.9	0	0	0	0	113.5	D90 T161 A220 E455 A461	D90-S457 WeakPolarHBondContact OD1-CB 3.47Å; D90-S457 PolarHBondContact OD1-OG 3.01Å; D90-S457 PolarHBondContact OD2-OG 3.41Å; T161-S457 PolarHBondContact OG1-O 3.25Å; A220-S457 WeakPolarHBondContact CB-O 3.47Å; E455-S457 PolarHBondContact O-N 3.26Å; S457-A461 PolarHBondContact O-N 3.39Å
458	G	84.9	Confident	87.5	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-82	-39.9	-177.2	0	0	0	0	0	113.1	A88 M99 E455 A462	A88-G458 WeakPolarHBondContact CB-O 3.48Å; M99-G458 VanDerWaalsContact SD-CA 3.56Å; E455-G458 PolarHBondContact O-N 2.65Å; G458-A462 PolarHBondContact O-N 3.04Å
459	R	86.9	Confident	86.9	Confident	31 Å²	31	24.9 Å²	24.9	12%	0.117	13%	0.129	C	C	.	.	H	α-helix	trans	-63	-44.4	174.6	-176.9	177.3	-178.9	-164.5	7.2	111.3	V113 S224 E228 E455 A462 L463	V113-R459 HydrophobicContact CG1-CG 4.24Å; S224-R459 WeakPolarHBondContact OG-CD 3.23Å; E228-R459 IonicContact OE1-NH1 2.69Å; E228-R459 PolarHBondContact OE1-NH1 2.82Å; E228-R459 VanDerWaalsContact OE1-NH1 3.07Å; E455-R459 WeakPolarHBondContact O-CB 3.49Å; E455-R459 PolarHBondContact O-N 3.42Å; E455-R459 VanDerWaalsContact O-N 3.11Å; R459-A462 PolarHBondContact O-N 2.86Å; R459-L463 HydrophobicContact CG-CD1 4.32Å; R459-L463 WeakPolarHBondContact O-CG 3.4Å; R459-L463 PolarHBondContact O-N 2.69Å; R459-L463 VanDerWaalsContact O-N 3.08Å
460	G	89.3	Confident	86	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.7	-48.5	177.9	0	0	0	0	0	113.5	A220 G456 A462 L463 I464	A220-G460 VanDerWaalsContact O-CA 3.22Å; A220-G460 WeakPolarHBondContact O-CA 3.49Å; G456-G460 WeakPolarHBondContact O-CA 3.05Å; G456-G460 PolarHBondContact O-N 3.22Å; G460-A462 VanDerWaalsContact C-N 3.3Å; G460-A462 PolarHBondContact O-N 3Å; G460-L463 PolarHBondContact O-N 2.99Å; G460-L463 VanDerWaalsContact O-N 3.11Å; G460-I464 WeakPolarHBondContact O-CG1 3.41Å; G460-I464 PolarHBondContact O-N 3.22Å
461	A	90.6	Very high	85	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.6	-36	178.9	0	0	0	0	0	113.4	A88 T161 V215 S457 I464 S465	A88-A461 HydrophobicContact CB-CB 4.27Å; T161-A461 WeakPolarHBondContact OG1-CB 3.31Å; V215-A461 HydrophobicContact CG2-CB 3.88Å; S457-A461 PolarHBondContact O-N 3.39Å; A461-I464 PolarHBondContact O-N 2.83Å; A461-S465 WeakPolarHBondContact O-CB 3.24Å; A461-S465 PolarHBondContact O-N 2.66Å; A461-S465 PolarHBondContact O-OG 3.43Å
462	A	89.3	Confident	84	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-42.7	172.4	0	0	0	0	0	112.3	F86 A88 V101 G458 R459 G460 S465 A466	F86-A462 HydrophobicContact CB-CB 3.88Å; A88-A462 HydrophobicContact CB-CB 4.29Å; V101-A462 HydrophobicContact CB-CB 3.42Å; V101-A462 VanDerWaalsContact CB-CB 3.42Å; V101-A462 HydrophobicContact CG1-CB 3.74Å; V101-A462 HydrophobicContact CG2-CB 3.44Å; V101-A462 VanDerWaalsContact CG2-CB 3.44Å; G458-A462 PolarHBondContact O-N 3.04Å; R459-A462 PolarHBondContact O-N 2.86Å; G460-A462 VanDerWaalsContact C-N 3.3Å; G460-A462 PolarHBondContact O-N 3Å; A462-S465 WeakPolarHBondContact O-CB 3.44Å; A462-S465 PolarHBondContact O-N 2.83Å; A462-A466 PolarHBondContact O-N 2.87Å
463	L	88.5	Confident	82.7	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.1	-39.7	176.8	-67.1	175.3	0	0	0	112.2	P78 V103 F111 V113 I223 Y227 R459 G460 S465 A466 V467	P78-L463 HydrophobicContact CG-CB 4.16Å; V103-L463 HydrophobicContact CG1-CD2 4.38Å; V103-L463 HydrophobicContact CG2-CD2 4.16Å; F111-L463 HydrophobicContact CE2-CD2 3.65Å; F111-L463 HydrophobicContact CZ-CD2 4.32Å; V113-L463 HydrophobicContact CG2-CD2 4.44Å; I223-L463 HydrophobicContact CG2-CB 3.88Å; I223-L463 HydrophobicContact CG2-CD1 4.4Å; Y227-L463 HydrophobicContact CD2-CD1 4.48Å; R459-L463 HydrophobicContact CG-CD1 4.32Å; R459-L463 WeakPolarHBondContact O-CG 3.4Å; R459-L463 PolarHBondContact O-N 2.69Å; R459-L463 VanDerWaalsContact O-N 3.08Å; G460-L463 PolarHBondContact O-N 2.99Å; G460-L463 VanDerWaalsContact O-N 3.11Å; L463-S465 VanDerWaalsContact C-N 3.32Å; L463-S465 PolarHBondContact O-N 2.72Å; L463-A466 WeakPolarHBondContact O-CB 2.99Å; L463-A466 PolarHBondContact O-N 3.11Å; L463-A466 VanDerWaalsContact O-N 3.15Å; L463-V467 WeakPolarHBondContact O-CG2 3.14Å; L463-V467 PolarHBondContact O-N 2.8Å
464	I	90.1	Very high	81.2	Confident	8 Å²	8	40.7 Å²	40.7	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-41.7	174.6	-65.6	167.5	0	0	0	110.5	V74 L171 A213 V215 V219 I223 G460 A461 A466 V467 A468	V74-I464 HydrophobicContact CG2-CG2 4.29Å; L171-I464 HydrophobicContact CD1-CG2 4.28Å; A213-I464 HydrophobicContact CB-CG2 4.01Å; V215-I464 HydrophobicContact CB-CD1 4.24Å; V215-I464 HydrophobicContact CG1-CD1 3.71Å; V215-I464 HydrophobicContact CG1-CG2 3.97Å; V215-I464 HydrophobicContact CG2-CD1 4.19Å; V219-I464 HydrophobicContact CG1-CD1 3.99Å; I223-I464 HydrophobicContact CB-CD1 4.15Å; I223-I464 HydrophobicContact CB-CG1 4.08Å; I223-I464 HydrophobicContact CG1-CD1 3.73Å; I223-I464 HydrophobicContact CG1-CG1 3.79Å; I223-I464 HydrophobicContact CG2-CG1 3.91Å; G460-I464 WeakPolarHBondContact O-CG1 3.41Å; G460-I464 PolarHBondContact O-N 3.22Å; A461-I464 PolarHBondContact O-N 2.83Å; I464-A466 PolarHBondContact O-N 3.35Å; I464-V467 PolarHBondContact O-N 3.43Å; I464-A468 WeakPolarHBondContact O-CB 3.43Å; I464-A468 PolarHBondContact O-N 2.71Å
465	S	89.4	Confident	79.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59	-38.8	173.9	-58.3	0	0	0	0	111.6	G159 V212 A461 A462 L463 A468 C469	G159-S465 WeakPolarHBondContact CA-OG 3.33Å; G159-S465 PolarHBondContact N-OG 3.34Å; G159-S465 VanDerWaalsContact N-OG 3.08Å; V212-S465 VanDerWaalsContact CG2-CB 3.45Å; A461-S465 WeakPolarHBondContact O-CB 3.24Å; A461-S465 PolarHBondContact O-N 2.66Å; A461-S465 PolarHBondContact O-OG 3.43Å; A462-S465 WeakPolarHBondContact O-CB 3.44Å; A462-S465 PolarHBondContact O-N 2.83Å; L463-S465 VanDerWaalsContact C-N 3.32Å; L463-S465 PolarHBondContact O-N 2.72Å; S465-A468 PolarHBondContact O-N 2.84Å; S465-C469 WeakPolarHBondContact O-CB 3.38Å; S465-C469 PolarHBondContact O-N 2.92Å; S465-C469 PolarHBondContact O-SG 3.27Å
466	A	87.3	Confident	80.1	Confident	4 Å²	4	41 Å²	41	3%	0.033	23%	0.227	C	C	.	.	H	α-helix	trans	-67.3	-41.6	178.2	0	0	0	0	0	112.5	E82 F86 A462 L463 I464 K470	E82-A466 HydrophobicContact CB-CB 3.65Å; E82-A466 HydrophobicContact CG-CB 3.99Å; F86-A466 HydrophobicContact CD1-CB 4.3Å; F86-A466 HydrophobicContact CD2-CB 4.25Å; F86-A466 VanDerWaalsContact CE1-CA 3.42Å; F86-A466 HydrophobicContact CE1-CB 3.66Å; F86-A466 HydrophobicContact CE2-CB 3.57Å; F86-A466 VanDerWaalsContact CZ-CA 3.49Å; F86-A466 HydrophobicContact CZ-CB 3.25Å; A462-A466 PolarHBondContact O-N 2.87Å; L463-A466 WeakPolarHBondContact O-CB 2.99Å; L463-A466 PolarHBondContact O-N 3.11Å; L463-A466 VanDerWaalsContact O-N 3.15Å; I464-A466 PolarHBondContact O-N 3.35Å; A466-K470 WeakPolarHBondContact O-CB 3.05Å; A466-K470 PolarHBondContact O-N 3.14Å
467	V	85.7	Confident	80.5	Confident	15 Å²	15	43.2 Å²	43.2	9%	0.091	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-45.8	172	175.6	0	0	0	0	110.7	P78 E82 L463 I464 K470 M471	P78-V467 HydrophobicContact CB-CG2 4.18Å; P78-V467 HydrophobicContact CG-CG2 4.11Å; E82-V467 HydrophobicContact CG-CG2 4.07Å; L463-V467 WeakPolarHBondContact O-CG2 3.14Å; L463-V467 PolarHBondContact O-N 2.8Å; I464-V467 PolarHBondContact O-N 3.43Å; V467-K470 WeakPolarHBondContact O-CB 3.04Å; V467-K470 PolarHBondContact O-N 3.22Å; V467-M471 HydrophobicContact CG1-CG 4.47Å; V467-M471 HydrophobicContact CG1-SD 4.26Å; V467-M471 WeakPolarHBondContact O-CG 3.43Å; V467-M471 PolarHBondContact O-N 2.78Å
468	A	86.2	Confident	80.5	Confident	18 Å²	18	45.3 Å²	45.3	15%	0.149	25%	0.25	C	C	.	.	H	α-helix	trans	-60.7	-48.9	179.2	0	0	0	0	0	112.3	L171 I464 S465 K470 M471 A472	L171-A468 HydrophobicContact CD2-CB 3.55Å; I464-A468 WeakPolarHBondContact O-CB 3.43Å; I464-A468 PolarHBondContact O-N 2.71Å; S465-A468 PolarHBondContact O-N 2.84Å; A468-K470 VanDerWaalsContact C-N 3.29Å; A468-K470 PolarHBondContact O-N 2.93Å; A468-M471 PolarHBondContact O-N 3.35Å; A468-A472 PolarHBondContact O-N 3.22Å
469	C	85.1	Confident	80.2	Confident	41 Å²	41	47.9 Å²	47.9	28%	0.277	27%	0.265	S	S	.	.	H	α-helix	trans	-60.4	-39.4	175.6	-70.9	0	0	0	0	111.9	S465 S473	S465-C469 WeakPolarHBondContact O-CB 3.38Å; S465-C469 PolarHBondContact O-N 2.92Å; S465-C469 PolarHBondContact O-SG 3.27Å; C469-S473 PolarHBondContact O-N 3.45Å
470	K	80.6	Confident	79.8	Confident	46 Å²	46	49 Å²	49	20%	0.2	27%	0.274	C	S	.	.	H	α-helix	trans	-61.4	-55.6	174.6	-177.7	-177.5	168.8	-167.4	0	109.2	E79 S81 A466 V467 A468 A472 S473	E79-K470 IonicContact OE2-NZ 3.5Å; E79-K470 PolarHBondContact OE2-NZ 2.89Å; S81-K470 PolarHBondContact OG-NZ 2.59Å; A466-K470 WeakPolarHBondContact O-CB 3.05Å; A466-K470 PolarHBondContact O-N 3.14Å; V467-K470 WeakPolarHBondContact O-CB 3.04Å; V467-K470 PolarHBondContact O-N 3.22Å; A468-K470 VanDerWaalsContact C-N 3.29Å; A468-K470 PolarHBondContact O-N 2.93Å; K470-A472 VanDerWaalsContact C-N 3.27Å; K470-A472 PolarHBondContact O-N 2.77Å; K470-S473 WeakPolarHBondContact O-CB 3.24Å; K470-S473 PolarHBondContact O-N 3.04Å; K470-S473 PolarHBondContact O-OG 2.99Å
471	M	76.3	Confident	79.2	Confident	116 Å²	116	52.3 Å²	52.3	57%	0.571	29%	0.292	S	S	*	.	H	α-helix	trans	-56.5	-39.7	-178	-67.7	-174	77.3	0	0	112.9	V467 A468 S473 W474	V467-M471 HydrophobicContact CG1-CG 4.47Å; V467-M471 HydrophobicContact CG1-SD 4.26Å; V467-M471 WeakPolarHBondContact O-CG 3.43Å; V467-M471 PolarHBondContact O-N 2.78Å; A468-M471 PolarHBondContact O-N 3.35Å; M471-S473 PolarHBondContact O-N 3.33Å; M471-W474 PolarHBondContact O-N 3.35Å; M471-W474 VanDerWaalsContact O-N 3.14Å
472	A	75.1	Confident	78.4	Confident	67 Å²	67	56 Å²	56	55%	0.554	31%	0.313	S	S	*	.	H	α-helix	trans	-63.9	-21.2	176.7	0	0	0	0	0	114.2	A468 K470 W474	A468-A472 PolarHBondContact O-N 3.22Å; K470-A472 VanDerWaalsContact C-N 3.27Å; K470-A472 PolarHBondContact O-N 2.77Å; A472-W474 VanDerWaalsContact C-N 3.33Å
473	S	65.7	Low	77.6	Confident	87 Å²	87	60.3 Å²	60.3	61%	0.608	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-7.7	176.7	70.1	0	0	0	0	114.5	C469 K470 M471	C469-S473 PolarHBondContact O-N 3.45Å; K470-S473 WeakPolarHBondContact O-CB 3.24Å; K470-S473 PolarHBondContact O-N 3.04Å; K470-S473 PolarHBondContact O-OG 2.99Å; M471-S473 PolarHBondContact O-N 3.33Å
474	W	56.3	Low	76.6	Confident	201 Å²	201	65.3 Å²	65.3	76%	0.761	37%	0.365	S	S	*	.			trans	-97.2	-12.8	179.3	-64.4	54.8	0	0	0	112.1	M471 A472	M471-W474 PolarHBondContact O-N 3.35Å; M471-W474 VanDerWaalsContact O-N 3.14Å; A472-W474 VanDerWaalsContact C-N 3.33Å
475	V	42	Very low	75.4	Confident	181 Å²	181	70.5 Å²	70.5	100%	1.097	40%	0.395	S	S	*	.			trans	-98.3	0	175.3	-174.9	0	0	0	0	108.5

Retrieved 475 of 475 residues in 254.4 ms (Link to these results)

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