G4VIA6_SCHMA Loading...

General transcription factor 3C polypeptide 5

AlphaFold DB , UniProt , Accession G4VIA6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 486 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	45.9	Very low	75.9	Confident	229 Å²	229	118.5 Å²	118.5	100%	1.128	62%	0.621	S	S	*	*				0	103	0	-86.7	-176.3	-175.6	0	0	105.5	L3	M1-L3 PolarHBondContact O-N 3.01Å; M1-L3 VanDerWaalsContact O-N 3.1Å
2	D	54.6	Low	77.4	Confident	159 Å²	159	110 Å²	110	85%	0.85	58%	0.584	S	S	*	*			trans	-67.5	107.7	170.7	-66.1	-30.7	0	0	0	107.1	T4	D2-T4 PolarHBondContact O-N 3.13Å
3	L	59.6	Low	78.8	Confident	122 Å²	122	105.5 Å²	105.5	64%	0.639	56%	0.563	S	S	*	*			trans	-72.2	94.7	175.1	-85.7	139.8	0	0	0	107.4	M1 F5 I91	M1-L3 PolarHBondContact O-N 3.01Å; M1-L3 VanDerWaalsContact O-N 3.1Å; L3-F5 PolarHBondContact O-N 2.96Å; L3-F5 VanDerWaalsContact O-N 3.09Å; L3-I91 HydrophobicContact CD2-CD1 4.12Å
4	T	69.7	Low	80	Confident	127 Å²	127	105.6 Å²	105.6	78%	0.779	56%	0.558	S	S	*	*			trans	-69.4	103.8	170.8	43.5	0	0	0	0	109.7	D2 P6	D2-T4 PolarHBondContact O-N 3.13Å; T4-P6 WeakPolarHBondContact O-CD 3.28Å; T4-P6 VanDerWaalsContact O-N 3.12Å
5	F	72.9	Confident	81.1	Confident	136 Å²	136	101.1 Å²	101.1	60%	0.596	53%	0.532	S	S	*	.			trans	-9.2	90.4	140.4	19.4	-135.9	0	0	0	117.5	L3 F70 I91	L3-F5 PolarHBondContact O-N 2.96Å; L3-F5 VanDerWaalsContact O-N 3.09Å; F5-F70 HydrophobicContact CD1-CD1 4.4Å; F5-F70 AromaticContact CD1-CE1 3.82Å; F5-F70 HydrophobicContact CD1-CE1 3.82Å; F5-F70 HydrophobicContact CD1-CZ 4.26Å; F5-F70 AromaticContact CE1-CE1 3.87Å; F5-F70 HydrophobicContact CE1-CE1 3.87Å; F5-F70 AromaticContact CE1-CZ 3.84Å; F5-F70 HydrophobicContact CE1-CZ 3.84Å; F5-I91 HydrophobicContact CD1-CD1 3.98Å; F5-I91 HydrophobicContact CD1-CG2 4.42Å; F5-I91 HydrophobicContact CE1-CD1 3.83Å
6	P	76.5	Confident	81.9	Confident	41 Å²	41	98.8 Å²	98.8	27%	0.266	53%	0.525	S	S	.	.			trans	-64.3	140.5	165.9	-13.4	27.7	0	0	0	110	T4 H8 I91 L92	T4-P6 WeakPolarHBondContact O-CD 3.28Å; T4-P6 VanDerWaalsContact O-N 3.12Å; P6-H8 PolarHBondContact O-N 3.42Å; P6-I91 HydrophobicContact CG-CG2 4.35Å; P6-I91 WeakPolarHBondContact CG-O 3.31Å; P6-L92 VanDerWaalsContact CB-O 3.29Å; P6-L92 WeakPolarHBondContact CB-O 3.44Å
7	S	83.6	Confident	82.5	Confident	112 Å²	112	95.9 Å²	95.9	78%	0.783	52%	0.518	S	S	*	.			trans	-76.4	-6.1	-178.9	55.2	0	0	0	0	114.2	T9	S7-T9 PolarHBondContact O-N 3.4Å
8	H	91.3	Very high	83.3	Confident	121 Å²	121	97.4 Å²	97.4	56%	0.56	53%	0.531	S	S	*	.			trans	-66.2	131.8	-178.3	-62.1	-66	0	0	0	111.7	P6 F10 G93 R94	P6-H8 PolarHBondContact O-N 3.42Å; H8-F10 HydrophobicContact CB-CE2 3.76Å; H8-F10 HydrophobicContact CB-CZ 4.07Å; H8-G93 VanDerWaalsContact O-CA 3.27Å; H8-G93 WeakPolarHBondContact O-CA 3.38Å; H8-R94 PolarHBondContact O-N 3.44Å
9	T	91.8	Very high	83.9	Confident	84 Å²	84	95.8 Å²	95.8	52%	0.515	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	138.9	172.4	51.9	0	0	0	0	109.5	S7 R94 T96	S7-T9 PolarHBondContact O-N 3.4Å; T9-R94 CarbonylContact C-O 3.3Å; T9-R94 WeakPolarHBondContact CA-O 3.44Å; T9-T96 HydrophobicContact CG2-CG2 4.11Å
10	F	94.2	Very high	84.5	Confident	76 Å²	76	98.7 Å²	98.7	33%	0.333	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	155.8	-178.7	-66	-82.3	0	0	0	110.2	H8 V71 L92 R94 V95 T96	H8-F10 HydrophobicContact CB-CE2 3.76Å; H8-F10 HydrophobicContact CB-CZ 4.07Å; F10-V71 HydrophobicContact CB-CG2 4.24Å; F10-V71 HydrophobicContact CD2-CB 4.45Å; F10-V71 HydrophobicContact CD2-CG2 3.95Å; F10-V71 HydrophobicContact CG-CG2 4.1Å; F10-L92 HydrophobicContact CE2-CB 4.29Å; F10-L92 HydrophobicContact CZ-CB 4.5Å; F10-R94 PolarHBondContact N-O 3.15Å; F10-V95 HydrophobicContact CB-CG2 4.18Å; F10-V95 VanDerWaalsContact O-CA 3.26Å; F10-V95 WeakPolarHBondContact O-CA 3.44Å; F10-T96 PolarHBondContact O-N 3.27Å; F10-T96 PolarHBondContact O-OG1 3.22Å
11	Y	94.5	Very high	85	Confident	96 Å²	96	97.6 Å²	97.6	38%	0.376	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	140.5	167.1	-65.5	-82.6	0	0	0	108.4	F39 R97	Y11-F39 HydrophobicContact CD1-CB 4.35Å; Y11-F39 HydrophobicContact CD1-CD2 4.45Å; Y11-F39 HydrophobicContact CD1-CG 4.2Å; Y11-F39 HydrophobicContact CD2-CB 4.09Å; Y11-F39 AromaticContact CD2-CD2 3.7Å; Y11-F39 HydrophobicContact CD2-CD2 3.7Å; Y11-F39 HydrophobicContact CD2-CE2 4.39Å; Y11-F39 HydrophobicContact CD2-CG 4.07Å; Y11-F39 HydrophobicContact CE1-CB 4.48Å; Y11-F39 HydrophobicContact CE2-CB 4.2Å; Y11-F39 HydrophobicContact CG-CB 4.17Å; Y11-F39 HydrophobicContact CG-CD1 4.4Å; Y11-F39 AromaticContact CG-CD2 3.63Å; Y11-F39 HydrophobicContact CG-CD2 3.63Å; Y11-F39 HydrophobicContact CG-CE2 4.06Å; Y11-F39 AromaticContact CG-CG 3.82Å; Y11-F39 HydrophobicContact CG-CG 3.82Å; Y11-R97 WeakPolarHBondContact CA-O 3.35Å; Y11-R97 HydrophobicContact CD1-CB 3.89Å; Y11-R97 HydrophobicContact CE1-CB 4.11Å; Y11-R97 HydrophobicContact CE1-CG 4.41Å
12	G	94.1	Very high	87.4	Confident	17 Å²	17	90.8 Å²	90.8	18%	0.175	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	147.2	177.3	0	0	0	0	0	111.4	R97 V98 Y99	G12-R97 PolarHBondContact N-O 2.79Å; G12-V98 CarbonylContact O-C 3.48Å; G12-V98 VanDerWaalsContact O-CA 3.29Å; G12-V98 WeakPolarHBondContact O-CA 3.35Å; G12-Y99 PolarHBondContact O-N 3.31Å
13	V	96.3	Very high	89.3	Confident	52 Å²	52	89.6 Å²	89.6	32%	0.315	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.1	167.9	-176	0	0	0	0	107.5	F15 L29 F39 L46 F101	V13-F15 PolarHBondContact O-N 3.34Å; V13-L29 HydrophobicContact CG1-CD1 4.25Å; V13-F39 HydrophobicContact CG2-CE1 4.25Å; V13-F39 HydrophobicContact CG2-CZ 3.75Å; V13-L46 HydrophobicContact CB-CD2 4.5Å; V13-L46 HydrophobicContact CG1-CD2 3.83Å; V13-L46 HydrophobicContact CG2-CD2 3.79Å; V13-F101 HydrophobicContact CG1-CE2 3.93Å
14	E	95.7	Very high	91	Very high	106 Å²	106	86.8 Å²	86.8	50%	0.495	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	86.6	172.2	-168.6	170.5	172	0	0	107.9	V98 Y99 K100	E14-V98 HydrophobicContact CB-CG1 4.42Å; E14-Y99 PolarHBondContact N-O 2.9Å; E14-K100 HydrophobicContact CB-CG 4.2Å; E14-K100 WeakPolarHBondContact OE2-CD 3.42Å; E14-K100 WeakPolarHBondContact OE2-CE 3.41Å; E14-K100 IonicContact OE2-NZ 3.02Å; E14-K100 PolarHBondContact OE2-NZ 3.16Å
15	F	95.5	Very high	92.3	Very high	39 Å²	39	81.2 Å²	81.2	17%	0.171	45%	0.448	C	S	.	.			trans	-68.7	127.3	-175.1	-159.7	-89.1	0	0	0	110.5	V13 A17 V19 A25 M28 L29 L48	V13-F15 PolarHBondContact O-N 3.34Å; F15-A17 HydrophobicContact CD1-CB 3.93Å; F15-A17 HydrophobicContact CE1-CB 3.87Å; F15-A17 PolarHBondContact O-N 3.49Å; F15-V19 HydrophobicContact CB-CG2 4.08Å; F15-V19 HydrophobicContact CD1-CG2 3.73Å; F15-V19 HydrophobicContact CE1-CG2 4.32Å; F15-V19 HydrophobicContact CG-CG2 3.92Å; F15-A25 HydrophobicContact CD2-CB 4.43Å; F15-A25 HydrophobicContact CE2-CB 3.89Å; F15-A25 HydrophobicContact CZ-CB 3.98Å; F15-M28 HydrophobicContact CE1-CE 4.43Å; F15-M28 HydrophobicContact CZ-CB 4.37Å; F15-M28 HydrophobicContact CZ-CE 4Å; F15-M28 HydrophobicContact CZ-SD 3.93Å; F15-L29 HydrophobicContact CD2-CD1 4.21Å; F15-L29 HydrophobicContact CD2-CG 4.44Å; F15-L29 HydrophobicContact CE2-CD1 4.19Å; F15-L29 HydrophobicContact CE2-CD2 4.28Å; F15-L29 HydrophobicContact CE2-CG 4.02Å; F15-L48 HydrophobicContact CD2-CD1 4.35Å; F15-L48 HydrophobicContact CE1-CD1 4.46Å; F15-L48 HydrophobicContact CE2-CD1 3.44Å; F15-L48 VanDerWaalsContact CE2-CD1 3.44Å; F15-L48 HydrophobicContact CZ-CD1 3.52Å
16	P	94.1	Very high	93.4	Very high	64 Å²	64	77.1 Å²	77.1	42%	0.416	43%	0.432	S	S	.	.	S	Bend	trans	-80.5	29.6	-171.5	34.9	-37.4	0	0	0	113.3	L48 F50 F101	P16-L48 HydrophobicContact CG-CD2 3.26Å; P16-F50 HydrophobicContact CG-CZ 4.48Å; P16-F101 HydrophobicContact CB-CB 4.19Å; P16-F101 HydrophobicContact CG-CB 3.95Å; P16-F101 HydrophobicContact CG-CD2 4.12Å; P16-F101 HydrophobicContact CG-CG 4.02Å
17	A	93.1	Very high	94.3	Very high	49 Å²	49	80.4 Å²	80.4	41%	0.405	44%	0.443	S	S	.	.	S	Bend	trans	-155.3	168.5	177.5	0	0	0	0	0	111.1	F15 V19	F15-A17 HydrophobicContact CD1-CB 3.93Å; F15-A17 HydrophobicContact CE1-CB 3.87Å; F15-A17 PolarHBondContact O-N 3.49Å; A17-V19 PolarHBondContact O-N 2.76Å
18	V	95.4	Very high	94.9	Very high	124 Å²	124	76.4 Å²	76.4	75%	0.752	41%	0.413	S	S	*	.			trans	-76.2	117	175.1	-177.6	0	0	0	0	109.8	N20	V18-N20 PolarHBondContact O-N 3.34Å
19	V	95.1	Very high	95.2	Very high	67 Å²	67	71.1 Å²	71.1	41%	0.406	39%	0.388	S	S	.	.			trans	-85.3	100.3	179.8	-178.3	0	0	0	0	110.1	F15 A17 V22 A25	F15-V19 HydrophobicContact CB-CG2 4.08Å; F15-V19 HydrophobicContact CD1-CG2 3.73Å; F15-V19 HydrophobicContact CE1-CG2 4.32Å; F15-V19 HydrophobicContact CG-CG2 3.92Å; A17-V19 PolarHBondContact O-N 2.76Å; V19-V22 HydrophobicContact CG1-CG2 4.32Å; V19-A25 HydrophobicContact CG1-CB 3.86Å; V19-A25 HydrophobicContact CG2-CB 4.23Å
20	N	95.4	Very high	95.3	Very high	153 Å²	153	69.2 Å²	69.2	82%	0.818	39%	0.386	S	S	*	.	S	Bend	trans	-91	-27.5	172.2	-66.9	-32.6	0	0	0	112.7	V18	V18-N20 PolarHBondContact O-N 3.34Å
21	N	95.5	Very high	95.3	Very high	75 Å²	75	66.5 Å²	66.5	40%	0.401	38%	0.379	S	S	.	.			trans	-131.2	119.9	179	-178.4	-49.2	0	0	0	108.3	E23 T24 A25	N21-E23 WeakPolarHBondContact OD1-CA 3.26Å; N21-E23 WeakPolarHBondContact OD1-CB 3.5Å; N21-E23 PolarHBondContact OD1-N 3.34Å; N21-E23 PolarHBondContact OD1-OE2 3.1Å; N21-E23 VanDerWaalsContact OD1-OE2 3.04Å; N21-T24 VanDerWaalsContact CG-OG1 3.26Å; N21-T24 PolarHBondContact OD1-N 2.85Å; N21-T24 PolarHBondContact OD1-OG1 2.87Å; N21-A25 PolarHBondContact O-N 2.95Å
22	V	95.8	Very high	95.4	Very high	86 Å²	86	67.9 Å²	67.9	52%	0.521	39%	0.392	S	S	.	.	H	α-helix	trans	-75.6	-37.3	-173.5	179.4	0	0	0	0	110.5	V19 A25 I26	V19-V22 HydrophobicContact CG1-CG2 4.32Å; V22-A25 PolarHBondContact O-N 2.86Å; V22-I26 HydrophobicContact CG1-CD1 3.86Å; V22-I26 HydrophobicContact CG1-CG1 4.44Å; V22-I26 VanDerWaalsContact O-CG1 3.31Å; V22-I26 WeakPolarHBondContact O-CG1 3.45Å; V22-I26 PolarHBondContact O-N 3.09Å
23	E	96	Very high	95.4	Very high	135 Å²	135	71.1 Å²	71.1	63%	0.631	41%	0.413	S	S	*	.	H	α-helix	trans	-63	-45.2	178.8	-63.5	71.6	-160.2	0	0	111	N21 A25 I26 E27	N21-E23 WeakPolarHBondContact OD1-CA 3.26Å; N21-E23 WeakPolarHBondContact OD1-CB 3.5Å; N21-E23 PolarHBondContact OD1-N 3.34Å; N21-E23 PolarHBondContact OD1-OE2 3.1Å; N21-E23 VanDerWaalsContact OD1-OE2 3.04Å; E23-A25 PolarHBondContact O-N 3.02Å; E23-I26 PolarHBondContact O-N 2.86Å; E23-E27 WeakPolarHBondContact O-CB 3.15Å; E23-E27 PolarHBondContact O-N 2.85Å
24	T	95	Very high	95.3	Very high	63 Å²	63	72.3 Å²	72.3	39%	0.387	42%	0.415	S	S	.	.	H	α-helix	trans	-63.8	-39.9	174.8	-51.8	0	0	0	0	111.6	N21 I26 E27 M28	N21-T24 VanDerWaalsContact CG-OG1 3.26Å; N21-T24 PolarHBondContact OD1-N 2.85Å; N21-T24 PolarHBondContact OD1-OG1 2.87Å; T24-I26 VanDerWaalsContact C-N 3.33Å; T24-I26 PolarHBondContact O-N 2.81Å; T24-E27 WeakPolarHBondContact O-CB 3.4Å; T24-E27 PolarHBondContact O-N 3.33Å; T24-M28 HydrophobicContact CG2-CG 4.48Å; T24-M28 HydrophobicContact CG2-SD 4.26Å; T24-M28 WeakPolarHBondContact O-CG 3.49Å; T24-M28 PolarHBondContact O-N 3.07Å
25	A	96	Very high	95.3	Very high	10 Å²	10	68.1 Å²	68.1	8%	0.083	40%	0.396	C	S	.	.	H	α-helix	trans	-64.7	-38.9	176.8	0	0	0	0	0	112	F15 V19 N21 V22 E23 M28 L29	F15-A25 HydrophobicContact CD2-CB 4.43Å; F15-A25 HydrophobicContact CE2-CB 3.89Å; F15-A25 HydrophobicContact CZ-CB 3.98Å; V19-A25 HydrophobicContact CG1-CB 3.86Å; V19-A25 HydrophobicContact CG2-CB 4.23Å; N21-A25 PolarHBondContact O-N 2.95Å; V22-A25 PolarHBondContact O-N 2.86Å; E23-A25 PolarHBondContact O-N 3.02Å; A25-M28 PolarHBondContact O-N 2.83Å; A25-L29 WeakPolarHBondContact O-CG 3.27Å; A25-L29 PolarHBondContact O-N 3.47Å
26	I	96.3	Very high	95.3	Very high	50 Å²	50	70.1 Å²	70.1	26%	0.256	41%	0.414	S	S	.	.	H	α-helix	trans	-65.2	-41.8	173.4	-70.5	165.9	0	0	0	110.7	V22 E23 T24 L29 G30 G31 L32 I35	V22-I26 HydrophobicContact CG1-CD1 3.86Å; V22-I26 HydrophobicContact CG1-CG1 4.44Å; V22-I26 VanDerWaalsContact O-CG1 3.31Å; V22-I26 WeakPolarHBondContact O-CG1 3.45Å; V22-I26 PolarHBondContact O-N 3.09Å; E23-I26 PolarHBondContact O-N 2.86Å; T24-I26 VanDerWaalsContact C-N 3.33Å; T24-I26 PolarHBondContact O-N 2.81Å; I26-L29 PolarHBondContact O-N 3.45Å; I26-G30 PolarHBondContact O-N 2.95Å; I26-G31 WeakPolarHBondContact O-CA 3.29Å; I26-G31 PolarHBondContact O-N 3.33Å; I26-L32 HydrophobicContact CD1-CD2 4.14Å; I26-L32 HydrophobicContact CG2-CD2 3.87Å; I26-L32 HydrophobicContact CG2-CG 3.85Å; I26-I35 HydrophobicContact CG2-CD1 4.2Å
27	E	95.8	Very high	95.3	Very high	109 Å²	109	71.8 Å²	71.8	51%	0.509	42%	0.417	S	S	.	.	H	α-helix	trans	-62	-42.4	176.1	-171.6	-172.7	171.8	0	0	112	E23 T24 L29 G30 P52	E23-E27 WeakPolarHBondContact O-CB 3.15Å; E23-E27 PolarHBondContact O-N 2.85Å; T24-E27 WeakPolarHBondContact O-CB 3.4Å; T24-E27 PolarHBondContact O-N 3.33Å; E27-L29 PolarHBondContact O-N 2.76Å; E27-G30 WeakPolarHBondContact O-CA 3.18Å; E27-G30 PolarHBondContact O-N 2.82Å; E27-P52 HydrophobicContact CG-CB 4.35Å; E27-P52 HydrophobicContact CG-CG 4.07Å
28	M	96.5	Very high	95.4	Very high	28 Å²	28	69.9 Å²	69.9	14%	0.138	40%	0.4	C	S	.	.	H	α-helix	trans	-62.5	-26.7	175.8	-69.8	168.2	76	0	0	112.9	F15 T24 A25 L48 T49 F50 P52	F15-M28 HydrophobicContact CE1-CE 4.43Å; F15-M28 HydrophobicContact CZ-CB 4.37Å; F15-M28 HydrophobicContact CZ-CE 4Å; F15-M28 HydrophobicContact CZ-SD 3.93Å; T24-M28 HydrophobicContact CG2-CG 4.48Å; T24-M28 HydrophobicContact CG2-SD 4.26Å; T24-M28 WeakPolarHBondContact O-CG 3.49Å; T24-M28 PolarHBondContact O-N 3.07Å; A25-M28 PolarHBondContact O-N 2.83Å; M28-L48 HydrophobicContact CB-CD1 3.77Å; M28-L48 HydrophobicContact CE-CD1 4.28Å; M28-T49 WeakPolarHBondContact CB-O 3.46Å; M28-T49 WeakPolarHBondContact CG-O 3.26Å; M28-T49 PolarHBondContact O-N 2.84Å; M28-F50 HydrophobicContact CE-CB 4.32Å; M28-F50 HydrophobicContact CE-CD1 3.56Å; M28-F50 HydrophobicContact CE-CE1 4.23Å; M28-F50 HydrophobicContact CE-CG 4.22Å; M28-P52 HydrophobicContact CG-CG 4.48Å
29	L	96.5	Very high	95.3	Very high	10 Å²	10	65.6 Å²	65.6	5%	0.052	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	9.9	173.7	-65.5	171.7	0	0	0	113.2	V13 F15 A25 I26 E27 Q34 I35 L46 N47 L48 F101	V13-L29 HydrophobicContact CG1-CD1 4.25Å; F15-L29 HydrophobicContact CD2-CD1 4.21Å; F15-L29 HydrophobicContact CD2-CG 4.44Å; F15-L29 HydrophobicContact CE2-CD1 4.19Å; F15-L29 HydrophobicContact CE2-CD2 4.28Å; F15-L29 HydrophobicContact CE2-CG 4.02Å; A25-L29 WeakPolarHBondContact O-CG 3.27Å; A25-L29 PolarHBondContact O-N 3.47Å; I26-L29 PolarHBondContact O-N 3.45Å; E27-L29 PolarHBondContact O-N 2.76Å; L29-Q34 PolarHBondContact O-OE1 2.85Å; L29-I35 HydrophobicContact CB-CD1 3.83Å; L29-I35 HydrophobicContact CB-CG1 3.92Å; L29-I35 HydrophobicContact CD1-CD1 4.06Å; L29-L46 HydrophobicContact CD1-CD2 4.45Å; L29-L46 HydrophobicContact CD2-CD1 4.48Å; L29-L46 HydrophobicContact CD2-CD2 3.88Å; L29-L46 HydrophobicContact CD2-CG 3.98Å; L29-N47 WeakPolarHBondContact CA-O 3.48Å; L29-L48 HydrophobicContact CD2-CB 4.07Å; L29-L48 HydrophobicContact CD2-CD1 3.75Å; L29-L48 HydrophobicContact CG-CD1 4.25Å; L29-F101 HydrophobicContact CD2-CE2 4.45Å; L29-F101 HydrophobicContact CD2-CZ 3.82Å
30	G	93.7	Very high	95.2	Very high	45 Å²	45	66.7 Å²	66.7	46%	0.464	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	12.8	179.9	0	0	0	0	0	115.3	I26 E27	I26-G30 PolarHBondContact O-N 2.95Å; E27-G30 WeakPolarHBondContact O-CA 3.18Å; E27-G30 PolarHBondContact O-N 2.82Å
31	G	95.3	Very high	95	Very high	19 Å²	19	62.2 Å²	62.2	20%	0.196	36%	0.363	C	S	.	.	H	α-helix	trans	87.7	168.4	177.5	0	0	0	0	0	114.2	I26 S33 Q34 I35	I26-G31 WeakPolarHBondContact O-CA 3.29Å; I26-G31 PolarHBondContact O-N 3.33Å; G31-S33 VanDerWaalsContact C-N 3.26Å; G31-S33 PolarHBondContact O-N 3.38Å; G31-Q34 PolarHBondContact O-N 3.02Å; G31-I35 WeakPolarHBondContact O-CG1 3.03Å; G31-I35 PolarHBondContact O-N 3.5Å; G31-I35 VanDerWaalsContact O-N 3.15Å
32	L	95.5	Very high	94.6	Very high	124 Å²	124	64.3 Å²	64.3	65%	0.649	37%	0.374	S	S	*	.	H	α-helix	trans	-59.8	-33.4	-174.6	-69.3	174.8	0	0	0	113.6	I26 S36	I26-L32 HydrophobicContact CD1-CD2 4.14Å; I26-L32 HydrophobicContact CG2-CD2 3.87Å; I26-L32 HydrophobicContact CG2-CG 3.85Å; L32-S36 WeakPolarHBondContact O-CB 3.37Å; L32-S36 PolarHBondContact O-N 2.85Å
33	S	95.5	Very high	94.2	Very high	86 Å²	86	69.4 Å²	69.4	60%	0.601	39%	0.39	S	S	*	.	H	α-helix	trans	-64.1	-50.3	178.6	-163.9	0	0	0	0	111.4	G31 I35 S36 E37	G31-S33 VanDerWaalsContact C-N 3.26Å; G31-S33 PolarHBondContact O-N 3.38Å; S33-I35 VanDerWaalsContact C-N 3.34Å; S33-I35 PolarHBondContact O-N 3.05Å; S33-S36 PolarHBondContact O-N 2.91Å; S33-E37 WeakPolarHBondContact O-CG 3.44Å; S33-E37 PolarHBondContact O-N 3.19Å
34	Q	93.3	Very high	94	Very high	77 Å²	77	68.6 Å²	68.6	36%	0.36	38%	0.381	S	S	.	.	H	α-helix	trans	-64.2	-40.9	-179.7	-176.7	165.7	78.2	0	0	111.4	L29 G31 S36 E37 V38	L29-Q34 PolarHBondContact O-OE1 2.85Å; G31-Q34 PolarHBondContact O-N 3.02Å; Q34-S36 VanDerWaalsContact C-N 3.35Å; Q34-S36 PolarHBondContact O-N 2.82Å; Q34-E37 PolarHBondContact O-N 2.87Å; Q34-V38 VanDerWaalsContact O-CG2 3.31Å; Q34-V38 WeakPolarHBondContact O-CG2 3.5Å; Q34-V38 PolarHBondContact O-N 3.5Å
35	I	96.1	Very high	94	Very high	18 Å²	18	69.2 Å²	69.2	9%	0.092	38%	0.376	C	S	.	.	H	α-helix	trans	-59.4	-46.5	174.7	-63.9	167.7	0	0	0	110.6	I26 L29 G31 S33 E37 V38 F39 L46	I26-I35 HydrophobicContact CG2-CD1 4.2Å; L29-I35 HydrophobicContact CB-CD1 3.83Å; L29-I35 HydrophobicContact CB-CG1 3.92Å; L29-I35 HydrophobicContact CD1-CD1 4.06Å; G31-I35 WeakPolarHBondContact O-CG1 3.03Å; G31-I35 PolarHBondContact O-N 3.5Å; G31-I35 VanDerWaalsContact O-N 3.15Å; S33-I35 VanDerWaalsContact C-N 3.34Å; S33-I35 PolarHBondContact O-N 3.05Å; I35-E37 PolarHBondContact O-N 3.04Å; I35-V38 PolarHBondContact O-N 2.88Å; I35-F39 HydrophobicContact CG2-CD1 4.37Å; I35-F39 HydrophobicContact CG2-CD2 3.92Å; I35-F39 HydrophobicContact CG2-CE1 3.93Å; I35-F39 HydrophobicContact CG2-CE2 3.42Å; I35-F39 VanDerWaalsContact CG2-CE2 3.42Å; I35-F39 HydrophobicContact CG2-CG 4.38Å; I35-F39 HydrophobicContact CG2-CZ 3.43Å; I35-F39 VanDerWaalsContact CG2-CZ 3.43Å; I35-F39 WeakPolarHBondContact O-CD1 3.49Å; I35-F39 VanDerWaalsContact O-CG 3.29Å; I35-F39 WeakPolarHBondContact O-CG 3.49Å; I35-F39 PolarHBondContact O-N 3.26Å; I35-L46 HydrophobicContact CG1-CD1 4.29Å
36	S	94.6	Very high	93.9	Very high	80 Å²	80	68.8 Å²	68.8	56%	0.559	37%	0.372	S	S	*	.	H	α-helix	trans	-63.6	-39.6	-179.7	-170.5	0	0	0	0	112.5	L32 S33 Q34 F39 A40	L32-S36 WeakPolarHBondContact O-CB 3.37Å; L32-S36 PolarHBondContact O-N 2.85Å; S33-S36 PolarHBondContact O-N 2.91Å; Q34-S36 VanDerWaalsContact C-N 3.35Å; Q34-S36 PolarHBondContact O-N 2.82Å; S36-F39 PolarHBondContact O-N 3.24Å; S36-A40 PolarHBondContact O-N 3.31Å; S36-A40 VanDerWaalsContact O-N 3.16Å
37	E	94.6	Very high	93.9	Very high	100 Å²	100	69.1 Å²	69.1	47%	0.467	37%	0.374	S	S	.	.	H	α-helix	trans	-64.6	-42.4	175.7	-74	175.8	-148.4	0	0	112.2	S33 Q34 I35 F39 A40 R44	S33-E37 WeakPolarHBondContact O-CG 3.44Å; S33-E37 PolarHBondContact O-N 3.19Å; Q34-E37 PolarHBondContact O-N 2.87Å; I35-E37 PolarHBondContact O-N 3.04Å; E37-F39 VanDerWaalsContact C-N 3.33Å; E37-A40 PolarHBondContact O-N 3Å; E37-R44 IonicContact OE2-NH1 3.64Å
38	V	94.5	Very high	93.8	Very high	9 Å²	9	63.9 Å²	63.9	6%	0.055	35%	0.35	C	S	.	.	H	α-helix	trans	-65.9	-37.5	177	171.9	0	0	0	0	110.8	Q34 I35 A40 D41 R44 L46 Y99	Q34-V38 VanDerWaalsContact O-CG2 3.31Å; Q34-V38 WeakPolarHBondContact O-CG2 3.5Å; Q34-V38 PolarHBondContact O-N 3.5Å; I35-V38 PolarHBondContact O-N 2.88Å; V38-A40 VanDerWaalsContact C-N 3.27Å; V38-A40 PolarHBondContact O-N 3.25Å; V38-D41 PolarHBondContact O-N 2.93Å; V38-R44 HydrophobicContact CB-CB 4.45Å; V38-R44 HydrophobicContact CG1-CB 4.14Å; V38-R44 HydrophobicContact CG2-CB 4.31Å; V38-L46 HydrophobicContact CB-CD1 4.32Å; V38-L46 HydrophobicContact CG1-CB 4.08Å; V38-L46 HydrophobicContact CG1-CD1 4.21Å; V38-L46 HydrophobicContact CG2-CD1 4.35Å; V38-Y99 HydrophobicContact CG1-CE1 3.66Å; V38-Y99 WeakPolarHBondContact CG1-OH 3.29Å; V38-Y99 PolarHBondContact O-OH 3.3Å
39	F	94	Very high	93.8	Very high	34 Å²	34	64 Å²	64	15%	0.149	35%	0.352	C	S	.	.	H	α-helix	trans	-70.5	-22.8	177.5	-68.9	-2.1	0	0	0	113.7	Y11 V13 I35 S36 E37 Y99	Y11-F39 HydrophobicContact CD1-CB 4.35Å; Y11-F39 HydrophobicContact CD1-CD2 4.45Å; Y11-F39 HydrophobicContact CD1-CG 4.2Å; Y11-F39 HydrophobicContact CD2-CB 4.09Å; Y11-F39 AromaticContact CD2-CD2 3.7Å; Y11-F39 HydrophobicContact CD2-CD2 3.7Å; Y11-F39 HydrophobicContact CD2-CE2 4.39Å; Y11-F39 HydrophobicContact CD2-CG 4.07Å; Y11-F39 HydrophobicContact CE1-CB 4.48Å; Y11-F39 HydrophobicContact CE2-CB 4.2Å; Y11-F39 HydrophobicContact CG-CB 4.17Å; Y11-F39 HydrophobicContact CG-CD1 4.4Å; Y11-F39 AromaticContact CG-CD2 3.63Å; Y11-F39 HydrophobicContact CG-CD2 3.63Å; Y11-F39 HydrophobicContact CG-CE2 4.06Å; Y11-F39 AromaticContact CG-CG 3.82Å; Y11-F39 HydrophobicContact CG-CG 3.82Å; V13-F39 HydrophobicContact CG2-CE1 4.25Å; V13-F39 HydrophobicContact CG2-CZ 3.75Å; I35-F39 HydrophobicContact CG2-CD1 4.37Å; I35-F39 HydrophobicContact CG2-CD2 3.92Å; I35-F39 HydrophobicContact CG2-CE1 3.93Å; I35-F39 HydrophobicContact CG2-CE2 3.42Å; I35-F39 VanDerWaalsContact CG2-CE2 3.42Å; I35-F39 HydrophobicContact CG2-CG 4.38Å; I35-F39 HydrophobicContact CG2-CZ 3.43Å; I35-F39 VanDerWaalsContact CG2-CZ 3.43Å; I35-F39 WeakPolarHBondContact O-CD1 3.49Å; I35-F39 VanDerWaalsContact O-CG 3.29Å; I35-F39 WeakPolarHBondContact O-CG 3.49Å; I35-F39 PolarHBondContact O-N 3.26Å; S36-F39 PolarHBondContact O-N 3.24Å; E37-F39 VanDerWaalsContact C-N 3.33Å; F39-Y99 HydrophobicContact CD1-CD2 4.02Å; F39-Y99 AromaticContact CD1-CE2 3.38Å; F39-Y99 HydrophobicContact CD1-CE2 3.38Å; F39-Y99 AromaticContact CE1-CD2 3.51Å; F39-Y99 HydrophobicContact CE1-CD2 3.51Å; F39-Y99 AromaticContact CE1-CE2 3.39Å; F39-Y99 HydrophobicContact CE1-CE2 3.39Å; F39-Y99 HydrophobicContact CE1-CG 4.45Å; F39-Y99 HydrophobicContact CZ-CD2 4.46Å
40	A	92.8	Very high	93.6	Very high	89 Å²	89	68.4 Å²	68.4	74%	0.736	37%	0.371	S	S	*	.	H	α-helix	trans	-77.5	-19.9	175.9	0	0	0	0	0	113.7	S36 E37 V38	S36-A40 PolarHBondContact O-N 3.31Å; S36-A40 VanDerWaalsContact O-N 3.16Å; E37-A40 PolarHBondContact O-N 3Å; V38-A40 VanDerWaalsContact C-N 3.27Å; V38-A40 PolarHBondContact O-N 3.25Å
41	D	91.8	Very high	93.5	Very high	60 Å²	60	73.2 Å²	73.2	32%	0.321	38%	0.375	S	S	.	.			trans	-118.7	119.6	-177.4	-172.4	-12.7	0	0	0	111.2	V38 K43 R44 R97	V38-D41 PolarHBondContact O-N 2.93Å; D41-K43 PolarHBondContact O-N 3.4Å; D41-K43 WeakPolarHBondContact OD1-CB 3.24Å; D41-K43 PolarHBondContact OD1-N 2.81Å; D41-R44 HydrophobicContact CB-CB 4.27Å; D41-R44 HydrophobicContact CB-CG 3.84Å; D41-R44 PolarHBondContact O-N 2.98Å; D41-R44 WeakPolarHBondContact OD2-CG 3.42Å; D41-R44 IonicContact OD2-NE 3.59Å; D41-R44 PolarHBondContact OD2-NE 3.44Å; D41-R97 PolarHBondContact O-NH1 3.4Å
42	D	86.4	Confident	93.3	Very high	118 Å²	118	74.7 Å²	74.7	63%	0.631	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.6	-179.6	-73.3	-10.6	0	0	0	114.1	R97	D42-R97 PolarHBondContact O-NH2 3.33Å; D42-R97 WeakPolarHBondContact OD1-CD 3.39Å; D42-R97 IonicContact OD1-CZ 3.89Å; D42-R97 IonicContact OD1-NE 2.66Å; D42-R97 PolarHBondContact OD1-NE 3.23Å; D42-R97 IonicContact OD1-NH1 3.14Å; D42-R97 PolarHBondContact OD1-NH1 3.01Å
43	K	88.6	Confident	93	Very high	194 Å²	194	75.6 Å²	75.6	84%	0.843	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-9.9	-176.9	-61.1	-178.2	-179	178.6	0	113.8	D41	D41-K43 PolarHBondContact O-N 3.4Å; D41-K43 WeakPolarHBondContact OD1-CB 3.24Å; D41-K43 PolarHBondContact OD1-N 2.81Å
44	R	92	Very high	92.6	Very high	118 Å²	118	73.7 Å²	73.7	45%	0.445	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-82.6	141.8	-179	-73.6	-176.1	-176	-155.5	-1.2	111.4	E37 V38 D41	E37-R44 IonicContact OE2-NH1 3.64Å; V38-R44 HydrophobicContact CB-CB 4.45Å; V38-R44 HydrophobicContact CG1-CB 4.14Å; V38-R44 HydrophobicContact CG2-CB 4.31Å; D41-R44 HydrophobicContact CB-CB 4.27Å; D41-R44 HydrophobicContact CB-CG 3.84Å; D41-R44 PolarHBondContact O-N 2.98Å; D41-R44 WeakPolarHBondContact OD2-CG 3.42Å; D41-R44 IonicContact OD2-NE 3.59Å; D41-R44 PolarHBondContact OD2-NE 3.44Å
45	R	93.4	Very high	92.4	Very high	76 Å²	76	75.4 Å²	75.4	29%	0.287	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-90.6	149.3	169.3	-57.5	179.1	80.7	177.8	10.4	109.1	G62 D63 D168	R45-G62 CarbonylContact C-O 3.44Å; R45-G62 WeakPolarHBondContact CA-O 3.35Å; R45-G62 WeakPolarHBondContact CB-O 3.43Å; R45-D63 WeakPolarHBondContact CD-OD1 3.44Å; R45-D63 WeakPolarHBondContact CG-OD1 3.29Å; R45-D63 IonicContact CZ-OD1 3.64Å; R45-D63 IonicContact CZ-OD2 2.78Å; R45-D63 IonicContact NE-OD1 3.09Å; R45-D63 PolarHBondContact NE-OD1 3.49Å; R45-D63 IonicContact NE-OD2 3.59Å; R45-D63 IonicContact NH2-OD1 2.79Å; R45-D63 PolarHBondContact NH2-OD1 2.83Å; R45-D63 IonicContact NH2-OD2 2.85Å; R45-D63 PolarHBondContact NH2-OD2 2.92Å; R45-D168 IonicContact CZ-OD2 3.02Å; R45-D168 VanDerWaalsContact CZ-OD2 3.22Å; R45-D168 IonicContact NH1-OD1 2.86Å; R45-D168 IonicContact NH1-OD2 3.32Å; R45-D168 PolarHBondContact NH1-OD2 3.46Å; R45-D168 IonicContact NH2-OD2 3.43Å; R45-D168 PolarHBondContact NH2-OD2 3.46Å
46	L	95.5	Very high	92	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122.5	176.7	-176.7	62.3	0	0	0	109.5	V13 L29 I35 V38 G62 Y99 F101	V13-L46 HydrophobicContact CB-CD2 4.5Å; V13-L46 HydrophobicContact CG1-CD2 3.83Å; V13-L46 HydrophobicContact CG2-CD2 3.79Å; L29-L46 HydrophobicContact CD1-CD2 4.45Å; L29-L46 HydrophobicContact CD2-CD1 4.48Å; L29-L46 HydrophobicContact CD2-CD2 3.88Å; L29-L46 HydrophobicContact CD2-CG 3.98Å; I35-L46 HydrophobicContact CG1-CD1 4.29Å; V38-L46 HydrophobicContact CB-CD1 4.32Å; V38-L46 HydrophobicContact CG1-CB 4.08Å; V38-L46 HydrophobicContact CG1-CD1 4.21Å; V38-L46 HydrophobicContact CG2-CD1 4.35Å; L46-G62 PolarHBondContact N-O 3.45Å; L46-G62 PolarHBondContact O-N 3.32Å; L46-Y99 HydrophobicContact CB-CD1 3.57Å; L46-Y99 HydrophobicContact CB-CE1 4.07Å; L46-Y99 HydrophobicContact CB-CG 4.08Å; L46-Y99 HydrophobicContact CD2-CG 4.2Å; L46-F101 HydrophobicContact CB-CZ 4.42Å; L46-F101 HydrophobicContact CD2-CZ 4.13Å; L46-F101 HydrophobicContact CG-CZ 4.17Å; L46-F101 VanDerWaalsContact O-CE1 3.31Å; L46-F101 WeakPolarHBondContact O-CE1 3.38Å
47	N	94.7	Very high	91.9	Very high	57 Å²	57	75 Å²	75	31%	0.305	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	141.2	178.4	-69.4	-16.7	0	0	0	110.8	L29 P59 A60	L29-N47 WeakPolarHBondContact CA-O 3.48Å; N47-P59 HydrophobicContact CB-CB 4.01Å; N47-A60 CarbonylContact C-O 3.54Å
48	L	95.5	Very high	91.7	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	111	172.7	174.6	69.7	0	0	0	109.7	F15 P16 M28 L29 F50 P59 A60 F101	F15-L48 HydrophobicContact CD2-CD1 4.35Å; F15-L48 HydrophobicContact CE1-CD1 4.46Å; F15-L48 HydrophobicContact CE2-CD1 3.44Å; F15-L48 VanDerWaalsContact CE2-CD1 3.44Å; F15-L48 HydrophobicContact CZ-CD1 3.52Å; P16-L48 HydrophobicContact CG-CD2 3.26Å; M28-L48 HydrophobicContact CB-CD1 3.77Å; M28-L48 HydrophobicContact CE-CD1 4.28Å; L29-L48 HydrophobicContact CD2-CB 4.07Å; L29-L48 HydrophobicContact CD2-CD1 3.75Å; L29-L48 HydrophobicContact CG-CD1 4.25Å; L48-F50 HydrophobicContact CD2-CE1 4.27Å; L48-F50 HydrophobicContact CD2-CE2 4.3Å; L48-F50 HydrophobicContact CD2-CZ 3.88Å; L48-P59 CarbonylContact O-C 3.57Å; L48-P59 WeakPolarHBondContact O-CA 3.18Å; L48-A60 HydrophobicContact CB-CB 4.49Å; L48-A60 PolarHBondContact N-O 3.37Å; L48-A60 PolarHBondContact O-N 3.09Å; L48-F101 HydrophobicContact CB-CD1 3.97Å; L48-F101 HydrophobicContact CB-CE1 3.27Å; L48-F101 HydrophobicContact CB-CZ 3.68Å; L48-F101 HydrophobicContact CD2-CD1 4.24Å; L48-F101 HydrophobicContact CD2-CE1 4.19Å; L48-F101 HydrophobicContact CD2-CG 4.49Å; L48-F101 HydrophobicContact CD2-CZ 4.39Å; L48-F101 HydrophobicContact CG-CE1 4.36Å
49	T	95	Very high	91.7	Very high	29 Å²	29	73.2 Å²	73.2	18%	0.178	36%	0.363	C	S	.	.			trans	-103.3	115.4	176.7	-55.1	0	0	0	0	109.4	M28 R51	M28-T49 WeakPolarHBondContact CB-O 3.46Å; M28-T49 WeakPolarHBondContact CG-O 3.26Å; M28-T49 PolarHBondContact O-N 2.84Å; T49-R51 WeakPolarHBondContact CG2-O 3.49Å; T49-R51 PolarHBondContact O-N 3.18Å
50	F	92.9	Very high	91.7	Very high	103 Å²	103	72 Å²	72	45%	0.452	36%	0.359	S	S	.	.	S	Bend	trans	-66.8	-17.8	178.2	-68.9	-82.1	0	0	0	113.8	P16 M28 L48 A60	P16-F50 HydrophobicContact CG-CZ 4.48Å; M28-F50 HydrophobicContact CE-CB 4.32Å; M28-F50 HydrophobicContact CE-CD1 3.56Å; M28-F50 HydrophobicContact CE-CE1 4.23Å; M28-F50 HydrophobicContact CE-CG 4.22Å; L48-F50 HydrophobicContact CD2-CE1 4.27Å; L48-F50 HydrophobicContact CD2-CE2 4.3Å; L48-F50 HydrophobicContact CD2-CZ 3.88Å; F50-A60 HydrophobicContact CE2-CB 4.4Å
51	R	91.4	Very high	91.7	Very high	146 Å²	146	69.4 Å²	69.4	55%	0.551	34%	0.335	S	S	*	.			trans	-134.1	75.3	178.3	-58.4	-178.8	-171	164.4	2.1	110	T49 H53 M54	T49-R51 WeakPolarHBondContact CG2-O 3.49Å; T49-R51 PolarHBondContact O-N 3.18Å; R51-H53 PolarHBondContact O-N 2.89Å; R51-H53 VanDerWaalsContact O-N 3.14Å; R51-M54 HydrophobicContact CB-CB 4.06Å; R51-M54 HydrophobicContact CB-CG 4.08Å; R51-M54 HydrophobicContact CB-SD 4.19Å; R51-M54 WeakPolarHBondContact CD-SD 3.31Å; R51-M54 HydrophobicContact CG-SD 4.47Å; R51-M54 PolarHBondContact O-N 3.37Å
52	P	91.8	Very high	91.8	Very high	51 Å²	51	66.5 Å²	66.5	33%	0.331	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.6	-172.9	23.4	-33	0	0	0	113.7	E27 M28 M54	E27-P52 HydrophobicContact CG-CB 4.35Å; E27-P52 HydrophobicContact CG-CG 4.07Å; M28-P52 HydrophobicContact CG-CG 4.48Å; P52-M54 VanDerWaalsContact C-N 3.26Å; P52-M54 PolarHBondContact O-N 3.48Å
53	H	88.1	Confident	92.2	Very high	143 Å²	143	63.3 Å²	63.3	66%	0.662	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-9.6	174.4	62.3	-87	0	0	0	114	R51 Y135	R51-H53 PolarHBondContact O-N 2.89Å; R51-H53 VanDerWaalsContact O-N 3.14Å; H53-Y135 PolarHBondContact O-OH 3.03Å
54	M	88.6	Confident	92.4	Very high	45 Å²	45	55.7 Å²	55.7	22%	0.222	28%	0.278	C	S	.	.			trans	-102.8	110.6	179.5	-68.7	-169.6	76.2	0	0	111.4	R51 P52 Y56 S57 Y135	R51-M54 HydrophobicContact CB-CB 4.06Å; R51-M54 HydrophobicContact CB-CG 4.08Å; R51-M54 HydrophobicContact CB-SD 4.19Å; R51-M54 WeakPolarHBondContact CD-SD 3.31Å; R51-M54 HydrophobicContact CG-SD 4.47Å; R51-M54 PolarHBondContact O-N 3.37Å; P52-M54 VanDerWaalsContact C-N 3.26Å; P52-M54 PolarHBondContact O-N 3.48Å; M54-Y56 VanDerWaalsContact C-N 3.27Å; M54-Y56 PolarHBondContact O-N 2.66Å; M54-S57 VanDerWaalsContact O-CB 3.31Å; M54-S57 WeakPolarHBondContact O-CB 3.48Å; M54-S57 PolarHBondContact O-N 3.42Å; M54-Y135 WeakPolarHBondContact CA-OH 3.17Å; M54-Y135 HydrophobicContact CB-CE2 4.46Å; M54-Y135 HydrophobicContact CE-CD2 3.94Å; M54-Y135 HydrophobicContact CE-CE2 3.84Å
55	V	87.6	Confident	92.5	Very high	113 Å²	113	53.9 Å²	53.9	69%	0.685	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-37.5	-178.7	177.2	0	0	0	0	112.1	S57 Y135 I139	V55-S57 VanDerWaalsContact C-N 3.32Å; V55-S57 PolarHBondContact O-N 3.29Å; V55-Y135 PolarHBondContact N-OH 3.36Å; V55-I139 HydrophobicContact CB-CD1 3.89Å; V55-I139 HydrophobicContact CG2-CD1 3.66Å
56	Y	88.7	Confident	92.6	Very high	75 Å²	75	55.5 Å²	55.5	29%	0.294	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	1.6	179.7	-61.7	-70.1	0	0	0	114.2	M54 K58 Y135 L138 I139 Y158 P160	M54-Y56 VanDerWaalsContact C-N 3.27Å; M54-Y56 PolarHBondContact O-N 2.66Å; Y56-K58 PolarHBondContact O-N 3.43Å; Y56-Y135 HydrophobicContact CD2-CD2 4.17Å; Y56-Y135 AromaticContact CD2-CE2 3.77Å; Y56-Y135 HydrophobicContact CD2-CE2 3.77Å; Y56-L138 HydrophobicContact CE2-CB 4.06Å; Y56-L138 HydrophobicContact CE2-CD1 3.98Å; Y56-I139 HydrophobicContact CE2-CG1 4.38Å; Y56-Y158 AromaticContact CD1-CE1 3.79Å; Y56-Y158 HydrophobicContact CD1-CE1 3.79Å; Y56-Y158 HydrophobicContact CD2-CE1 4.03Å; Y56-Y158 HydrophobicContact CE1-CD1 4.26Å; Y56-Y158 AromaticContact CE1-CE1 3.94Å; Y56-Y158 HydrophobicContact CE1-CE1 3.94Å; Y56-Y158 HydrophobicContact CE2-CD1 4.45Å; Y56-Y158 HydrophobicContact CE2-CE1 4.18Å; Y56-Y158 AromaticContact CG-CE1 3.84Å; Y56-Y158 HydrophobicContact CG-CE1 3.84Å; Y56-P160 HydrophobicContact CD1-CG 4.48Å
57	S	91.3	Very high	92.4	Very high	16 Å²	16	56.5 Å²	56.5	11%	0.112	31%	0.305	C	S	.	.			trans	-73.9	111.7	175.7	-180	0	0	0	0	109.5	M54 V55	M54-S57 VanDerWaalsContact O-CB 3.31Å; M54-S57 WeakPolarHBondContact O-CB 3.48Å; M54-S57 PolarHBondContact O-N 3.42Å; V55-S57 VanDerWaalsContact C-N 3.32Å; V55-S57 PolarHBondContact O-N 3.29Å
58	K	92.3	Very high	92.2	Very high	24 Å²	24	59.6 Å²	59.6	10%	0.104	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-67.8	135.3	177.9	-55.8	-163	177.8	-157.3	0	111.5	Y56 D106 F107 Q108 P161 V162 L163 F164	Y56-K58 PolarHBondContact O-N 3.43Å; K58-D106 HydrophobicContact CB-CB 4.39Å; K58-D106 HydrophobicContact CD-CB 3.95Å; K58-D106 WeakPolarHBondContact CD-OD2 3.34Å; K58-D106 WeakPolarHBondContact CE-OD2 3.47Å; K58-D106 IonicContact NZ-OD2 2.88Å; K58-D106 PolarHBondContact NZ-OD2 2.92Å; K58-F107 WeakPolarHBondContact CD-O 3.46Å; K58-Q108 PolarHBondContact O-NE2 3.41Å; K58-P161 WeakPolarHBondContact CE-O 2.93Å; K58-P161 PolarHBondContact NZ-O 3.39Å; K58-V162 WeakPolarHBondContact CE-O 3.41Å; K58-V162 PolarHBondContact NZ-O 2.72Å; K58-L163 VanDerWaalsContact NZ-CA 3.32Å; K58-F164 HydrophobicContact CD-CD2 4.3Å; K58-F164 VanDerWaalsContact CE-CD2 3.44Å; K58-F164 VanDerWaalsContact NZ-N 3.18Å
59	P	93.6	Very high	92.1	Very high	47 Å²	47	62.5 Å²	62.5	31%	0.305	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-75.9	154.5	177.7	31.4	-34.6	0	0	0	111.4	N47 L48	N47-P59 HydrophobicContact CB-CB 4.01Å; L48-P59 CarbonylContact O-C 3.57Å; L48-P59 WeakPolarHBondContact O-CA 3.18Å
60	A	93.8	Very high	91.9	Very high	9 Å²	9	65.7 Å²	65.7	7%	0.074	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	147.9	156.1	0	0	0	0	0	109.1	N47 L48 F50 F101 A105	N47-A60 CarbonylContact C-O 3.54Å; L48-A60 HydrophobicContact CB-CB 4.49Å; L48-A60 PolarHBondContact N-O 3.37Å; L48-A60 PolarHBondContact O-N 3.09Å; F50-A60 HydrophobicContact CE2-CB 4.4Å; A60-F101 HydrophobicContact CB-CD1 4.29Å; A60-A105 HydrophobicContact CB-CB 4.44Å
61	C	92.9	Very high	92	Very high	33 Å²	33	63.2 Å²	63.2	22%	0.223	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	133	-177.7	-64.1	0	0	0	0	110.6	F101	C61-F101 VanDerWaalsContact C-CD1 3.47Å
62	G	94.3	Very high	92.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.2	176.9	0	0	0	0	0	111.1	R45 L46 K100 F101	R45-G62 CarbonylContact C-O 3.44Å; R45-G62 WeakPolarHBondContact CA-O 3.35Å; R45-G62 WeakPolarHBondContact CB-O 3.43Å; L46-G62 PolarHBondContact N-O 3.45Å; L46-G62 PolarHBondContact O-N 3.32Å; G62-K100 CarbonylContact C-O 3.56Å; G62-K100 WeakPolarHBondContact CA-O 3.36Å; G62-F101 VanDerWaalsContact N-CE1 3.31Å
63	D	94	Very high	92.1	Very high	51 Å²	51	64.5 Å²	64.5	27%	0.273	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.4	-179.1	-68.7	-55.2	0	0	0	111.3	R45 H65 Y99 K100	R45-D63 WeakPolarHBondContact CD-OD1 3.44Å; R45-D63 WeakPolarHBondContact CG-OD1 3.29Å; R45-D63 IonicContact CZ-OD1 3.64Å; R45-D63 IonicContact CZ-OD2 2.78Å; R45-D63 IonicContact NE-OD1 3.09Å; R45-D63 PolarHBondContact NE-OD1 3.49Å; R45-D63 IonicContact NE-OD2 3.59Å; R45-D63 IonicContact NH2-OD1 2.79Å; R45-D63 PolarHBondContact NH2-OD1 2.83Å; R45-D63 IonicContact NH2-OD2 2.85Å; R45-D63 PolarHBondContact NH2-OD2 2.92Å; D63-H65 PolarHBondContact O-CE1 3.08Å; D63-H65 PolarHBondContact O-N 2.93Å; D63-H65 PolarHBondContact O-ND1 2.83Å; D63-Y99 WeakPolarHBondContact O-CA 3.45Å; D63-K100 PolarHBondContact N-O 2.99Å; D63-K100 PolarHBondContact O-N 3.46Å
64	G	93.7	Very high	92.4	Very high	33 Å²	33	62.5 Å²	62.5	34%	0.34	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	115	180	0	0	0	0	0	111.7
65	H	94.1	Very high	92.5	Very high	81 Å²	81	63.8 Å²	63.8	38%	0.375	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.4	177.5	-62.2	84.8	0	0	0	110.5	D63 S67 R97 V98 D102	D63-H65 PolarHBondContact O-CE1 3.08Å; D63-H65 PolarHBondContact O-N 2.93Å; D63-H65 PolarHBondContact O-ND1 2.83Å; H65-S67 PolarHBondContact O-N 2.91Å; H65-R97 CarbonylContact O-C 3.58Å; H65-R97 VanDerWaalsContact O-CA 3.24Å; H65-R97 WeakPolarHBondContact O-CA 3.43Å; H65-V98 PolarHBondContact N-O 2.95Å; H65-V98 PolarHBondContact O-N 3.41Å; H65-D102 IonicContact CE1-OD2 3.85Å
66	S	94	Very high	92.7	Very high	109 Å²	109	68 Å²	68	76%	0.762	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.3	137.6	171.3	-174.8	0	0	0	0	110.3	T96	S66-T96 WeakPolarHBondContact CA-O 3.35Å
67	S	92.2	Very high	92.7	Very high	21 Å²	21	68.5 Å²	68.5	15%	0.147	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	151.6	-178.4	-171.8	0	0	0	0	110.6	H65 S69 V95 T96	H65-S67 PolarHBondContact O-N 2.91Å; S67-S69 WeakPolarHBondContact OG-CB 3.42Å; S67-S69 PolarHBondContact OG-N 2.8Å; S67-S69 PolarHBondContact OG-OG 3.23Å; S67-V95 CarbonylContact C-O 3.32Å; S67-V95 VanDerWaalsContact C-O 3.3Å; S67-T96 PolarHBondContact N-O 3Å; S67-T96 CarbonylContact O-C 3.59Å; S67-T96 WeakPolarHBondContact O-CA 3.44Å
68	N	90.7	Very high	92.7	Very high	122 Å²	122	76.7 Å²	76.7	65%	0.652	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	25.8	172.9	-70.9	-38.5	0	0	0	111.1
69	S	92.5	Very high	92.5	Very high	61 Å²	61	79.2 Å²	79.2	43%	0.427	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	159.9	-176.3	-58.6	0	0	0	0	111.6	S67 R94 V95	S67-S69 WeakPolarHBondContact OG-CB 3.42Å; S67-S69 PolarHBondContact OG-N 2.8Å; S67-S69 PolarHBondContact OG-OG 3.23Å; S69-R94 CarbonylContact O-C 3.58Å; S69-R94 WeakPolarHBondContact O-CA 3.48Å; S69-V95 PolarHBondContact O-N 2.97Å
70	F	92.3	Very high	92.2	Very high	97 Å²	97	87 Å²	87	43%	0.425	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.4	175.4	-61.6	-76.4	0	0	0	110.9	F5 I72 I91 G93 R94	F5-F70 HydrophobicContact CD1-CD1 4.4Å; F5-F70 AromaticContact CD1-CE1 3.82Å; F5-F70 HydrophobicContact CD1-CE1 3.82Å; F5-F70 HydrophobicContact CD1-CZ 4.26Å; F5-F70 AromaticContact CE1-CE1 3.87Å; F5-F70 HydrophobicContact CE1-CE1 3.87Å; F5-F70 AromaticContact CE1-CZ 3.84Å; F5-F70 HydrophobicContact CE1-CZ 3.84Å; F70-I72 HydrophobicContact CB-CG1 4.28Å; F70-I91 HydrophobicContact CB-CG2 4.34Å; F70-I91 HydrophobicContact CD1-CG2 4.15Å; F70-G93 WeakPolarHBondContact CA-O 3.22Å; F70-R94 HydrophobicContact CD1-CB 4.26Å; F70-R94 HydrophobicContact CE1-CB 4.27Å; F70-R94 HydrophobicContact CE1-CG 4.44Å
71	V	94.2	Very high	91.8	Very high	51 Å²	51	93.1 Å²	93.1	31%	0.309	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	119.7	166.7	-174.4	0	0	0	0	107.8	F10 L92 G93 V95	F10-V71 HydrophobicContact CB-CG2 4.24Å; F10-V71 HydrophobicContact CD2-CB 4.45Å; F10-V71 HydrophobicContact CD2-CG2 3.95Å; F10-V71 HydrophobicContact CG-CG2 4.1Å; V71-L92 HydrophobicContact CB-CB 4.32Å; V71-L92 HydrophobicContact CG1-CB 4.36Å; V71-L92 HydrophobicContact CG1-CD1 4.03Å; V71-L92 PolarHBondContact O-N 3.34Å; V71-G93 PolarHBondContact N-O 2.81Å; V71-V95 HydrophobicContact CG2-CG2 3.48Å; V71-V95 VanDerWaalsContact CG2-CG2 3.48Å
72	I	92.5	Very high	91.6	Very high	93 Å²	93	96.1 Å²	96.1	48%	0.477	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.7	-179.1	-55.2	176.3	0	0	0	109.2	F70 I74 P89 I91	F70-I72 HydrophobicContact CB-CG1 4.28Å; I72-I74 HydrophobicContact CG2-CG1 4.44Å; I72-P89 HydrophobicContact CG2-CB 3.86Å; I72-I91 HydrophobicContact CG1-CG1 4.43Å
73	R	93	Very high	91.2	Very high	131 Å²	131	97.7 Å²	97.7	49%	0.494	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	118.5	170.4	-178.2	177.1	63.5	169.7	-2.3	109.3	V90 L92	R73-V90 PolarHBondContact N-O 2.69Å; R73-V90 PolarHBondContact O-N 3.48Å; R73-L92 HydrophobicContact CB-CD1 3.91Å; R73-L92 HydrophobicContact CB-CD2 4.06Å; R73-L92 HydrophobicContact CB-CG 3.91Å
74	I	93.1	Very high	91	Very high	100 Å²	100	102.9 Å²	102.9	51%	0.513	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	107	176.2	-56.7	175.1	0	0	0	109	I72 L87	I72-I74 HydrophobicContact CG2-CG1 4.44Å; I74-L87 HydrophobicContact CG2-CB 4Å; I74-L87 HydrophobicContact CG2-CD2 4.11Å; I74-L87 HydrophobicContact CG2-CG 4.46Å
75	Q	91.4	Very high	90.9	Very high	72 Å²	72	106.4 Å²	106.4	34%	0.336	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	126.9	173.6	-63.8	-176.7	3.8	0	0	110.1	L87 V88	Q75-L87 WeakPolarHBondContact O-CA 3.47Å; Q75-V88 HydrophobicContact CB-CB 4.43Å; Q75-V88 PolarHBondContact N-O 2.89Å; Q75-V88 PolarHBondContact O-N 3.19Å
76	R	92.1	Very high	90.7	Very high	201 Å²	201	109.2 Å²	109.2	76%	0.758	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	103.9	177.6	-56.2	-167.5	174.1	171.1	-1.7	109.5	L85 L87	R76-L85 HydrophobicContact CB-CD2 4.05Å; R76-L87 HydrophobicContact CB-CD2 4.17Å; R76-L87 HydrophobicContact CG-CD2 3.61Å
77	L	89.7	Confident	90.6	Very high	86 Å²	86	108.9 Å²	108.9	45%	0.45	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.7	177.2	-59	176.5	0	0	0	109.4	L85 K86 V88	L77-L85 CarbonylContact O-C 3.47Å; L77-L85 WeakPolarHBondContact O-CA 3.48Å; L77-K86 HydrophobicContact CB-CB 4.4Å; L77-K86 PolarHBondContact N-O 2.83Å; L77-K86 PolarHBondContact O-N 2.73Å; L77-V88 HydrophobicContact CD1-CG2 3.85Å
78	R	90	Very high	90.6	Very high	189 Å²	189	109.9 Å²	109.9	71%	0.713	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.1	176.3	-171.6	177.3	-178.7	-172.1	-1.9	109.6	K80	R78-K80 PolarHBondContact O-N 3.47Å
79	N	87.7	Confident	90.6	Very high	77 Å²	77	108.2 Å²	108.2	41%	0.412	53%	0.534	S	S	.	.			trans	-67.1	123.1	171.8	-175.8	-45.1	0	0	0	109.2	V81 T82 G83 K84	N79-V81 VanDerWaalsContact C-N 3.27Å; N79-V81 PolarHBondContact O-N 2.88Å; N79-V81 PolarHBondContact OD1-N 3.27Å; N79-T82 VanDerWaalsContact CB-OG1 3.28Å; N79-T82 WeakPolarHBondContact CB-OG1 3.4Å; N79-T82 PolarHBondContact ND2-OG1 3.48Å; N79-T82 PolarHBondContact OD1-N 3.26Å; N79-T82 VanDerWaalsContact OD1-N 3.13Å; N79-T82 PolarHBondContact OD1-OG1 3.29Å; N79-G83 VanDerWaalsContact O-CA 3.26Å; N79-G83 WeakPolarHBondContact O-CA 3.39Å; N79-G83 PolarHBondContact O-N 3.49Å; N79-K84 PolarHBondContact N-O 3.38Å
80	K	88	Confident	90.5	Very high	211 Å²	211	107.6 Å²	107.6	92%	0.917	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-28.6	-176.1	-68.6	-173.9	178.2	-178.1	0	113.5	R78	R78-K80 PolarHBondContact O-N 3.47Å
81	V	85.4	Confident	90.4	Very high	137 Å²	137	104.7 Å²	104.7	83%	0.83	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-48	-175	-177.2	0	0	0	0	111	N79	N79-V81 VanDerWaalsContact C-N 3.27Å; N79-V81 PolarHBondContact O-N 2.88Å; N79-V81 PolarHBondContact OD1-N 3.27Å
82	T	87.9	Confident	90.3	Very high	96 Å²	96	105 Å²	105	59%	0.589	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-9.6	-175	60.3	0	0	0	0	113.6	N79 K84	N79-T82 VanDerWaalsContact CB-OG1 3.28Å; N79-T82 WeakPolarHBondContact CB-OG1 3.4Å; N79-T82 PolarHBondContact ND2-OG1 3.48Å; N79-T82 PolarHBondContact OD1-N 3.26Å; N79-T82 VanDerWaalsContact OD1-N 3.13Å; N79-T82 PolarHBondContact OD1-OG1 3.29Å; T82-K84 PolarHBondContact O-N 2.88Å; T82-K84 PolarHBondContact OG1-N 2.79Å
83	G	87.9	Confident	90.3	Very high	32 Å²	32	100.7 Å²	100.7	33%	0.33	49%	0.493	S	S	.	.			trans	67.8	-5.2	-172.8	0	0	0	0	0	114.6	N79 L85	N79-G83 VanDerWaalsContact O-CA 3.26Å; N79-G83 WeakPolarHBondContact O-CA 3.39Å; N79-G83 PolarHBondContact O-N 3.49Å; G83-L85 PolarHBondContact O-N 2.85Å
84	K	89.3	Confident	90.4	Very high	161 Å²	161	99.9 Å²	99.9	70%	0.7	49%	0.491	S	S	*	.			trans	-63.4	125.2	-175.4	-168.6	172.8	-178.3	174.7	0	110.9	N79 T82	N79-K84 PolarHBondContact N-O 3.38Å; T82-K84 PolarHBondContact O-N 2.88Å; T82-K84 PolarHBondContact OG1-N 2.79Å
85	L	90.8	Very high	90.4	Very high	106 Å²	106	95.9 Å²	95.9	56%	0.555	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	127.3	172.8	-99.3	144.8	0	0	0	109.9	R76 L77 G83	R76-L85 HydrophobicContact CB-CD2 4.05Å; L77-L85 CarbonylContact O-C 3.47Å; L77-L85 WeakPolarHBondContact O-CA 3.48Å; G83-L85 PolarHBondContact O-N 2.85Å
86	K	90.5	Very high	90.5	Very high	140 Å²	140	93.8 Å²	93.8	61%	0.609	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.1	170.3	-176.2	-179.4	-178.8	-178.6	0	108	L77 V88	L77-K86 HydrophobicContact CB-CB 4.4Å; L77-K86 PolarHBondContact N-O 2.83Å; L77-K86 PolarHBondContact O-N 2.73Å; K86-V88 HydrophobicContact CD-CG2 4.31Å; K86-V88 HydrophobicContact CG-CG2 4.14Å
87	L	92.4	Very high	90.6	Very high	102 Å²	102	85.3 Å²	85.3	53%	0.534	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	127.2	173.1	-57.8	-179.7	0	0	0	108.6	I74 Q75 R76	I74-L87 HydrophobicContact CG2-CB 4Å; I74-L87 HydrophobicContact CG2-CD2 4.11Å; I74-L87 HydrophobicContact CG2-CG 4.46Å; Q75-L87 WeakPolarHBondContact O-CA 3.47Å; R76-L87 HydrophobicContact CB-CD2 4.17Å; R76-L87 HydrophobicContact CG-CD2 3.61Å
88	V	90.7	Very high	90.9	Very high	43 Å²	43	82.3 Å²	82.3	26%	0.261	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	105.3	177.3	-177	0	0	0	0	108.1	Q75 L77 K86	Q75-V88 HydrophobicContact CB-CB 4.43Å; Q75-V88 PolarHBondContact N-O 2.89Å; Q75-V88 PolarHBondContact O-N 3.19Å; L77-V88 HydrophobicContact CD1-CG2 3.85Å; K86-V88 HydrophobicContact CD-CG2 4.31Å; K86-V88 HydrophobicContact CG-CG2 4.14Å
89	P	90.6	Very high	91.2	Very high	87 Å²	87	73.3 Å²	73.3	57%	0.565	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.2	175.1	30.1	-32.5	0	0	0	110.1	I72	I72-P89 HydrophobicContact CG2-CB 3.86Å
90	V	90.3	Very high	91.6	Very high	47 Å²	47	72.7 Å²	72.7	29%	0.285	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120	173.8	-179.4	0	0	0	0	107.8	R73 L92	R73-V90 PolarHBondContact N-O 2.69Å; R73-V90 PolarHBondContact O-N 3.48Å; V90-L92 PolarHBondContact O-N 2.87Å
91	I	90.8	Very high	91.9	Very high	36 Å²	36	63.9 Å²	63.9	19%	0.185	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	128.5	172.7	-57.5	176.6	0	0	0	107.4	L3 F5 P6 F70 I72	L3-I91 HydrophobicContact CD2-CD1 4.12Å; F5-I91 HydrophobicContact CD1-CD1 3.98Å; F5-I91 HydrophobicContact CD1-CG2 4.42Å; F5-I91 HydrophobicContact CE1-CD1 3.83Å; P6-I91 HydrophobicContact CG-CG2 4.35Å; P6-I91 WeakPolarHBondContact CG-O 3.31Å; F70-I91 HydrophobicContact CB-CG2 4.34Å; F70-I91 HydrophobicContact CD1-CG2 4.15Å; I72-I91 HydrophobicContact CG1-CG1 4.43Å
92	L	92.4	Very high	92.2	Very high	58 Å²	58	62.8 Å²	62.8	30%	0.304	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-32	176.5	-65.7	-175.3	0	0	0	112.3	P6 F10 V71 R73 V90	P6-L92 VanDerWaalsContact CB-O 3.29Å; P6-L92 WeakPolarHBondContact CB-O 3.44Å; F10-L92 HydrophobicContact CE2-CB 4.29Å; F10-L92 HydrophobicContact CZ-CB 4.5Å; V71-L92 HydrophobicContact CB-CB 4.32Å; V71-L92 HydrophobicContact CG1-CB 4.36Å; V71-L92 HydrophobicContact CG1-CD1 4.03Å; V71-L92 PolarHBondContact O-N 3.34Å; R73-L92 HydrophobicContact CB-CD1 3.91Å; R73-L92 HydrophobicContact CB-CD2 4.06Å; R73-L92 HydrophobicContact CB-CG 3.91Å; V90-L92 PolarHBondContact O-N 2.87Å
93	G	92.9	Very high	92.3	Very high	2 Å²	2	59 Å²	59	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.8	-175.5	179.4	0	0	0	0	0	112.7	H8 F70 V71	H8-G93 VanDerWaalsContact O-CA 3.27Å; H8-G93 WeakPolarHBondContact O-CA 3.38Å; F70-G93 WeakPolarHBondContact CA-O 3.22Å; V71-G93 PolarHBondContact N-O 2.81Å
94	R	93.9	Very high	92.5	Very high	115 Å²	115	62 Å²	62	43%	0.434	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	137	-177.4	-177.2	178.7	65.7	159.1	-1.3	111.2	H8 T9 F10 S69 F70	H8-R94 PolarHBondContact O-N 3.44Å; T9-R94 CarbonylContact C-O 3.3Å; T9-R94 WeakPolarHBondContact CA-O 3.44Å; F10-R94 PolarHBondContact N-O 3.15Å; S69-R94 CarbonylContact O-C 3.58Å; S69-R94 WeakPolarHBondContact O-CA 3.48Å; F70-R94 HydrophobicContact CD1-CB 4.26Å; F70-R94 HydrophobicContact CE1-CB 4.27Å; F70-R94 HydrophobicContact CE1-CG 4.44Å
95	V	94.3	Very high	92.5	Very high	15 Å²	15	57.1 Å²	57.1	9%	0.091	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	112.9	168.9	-173.2	0	0	0	0	108.6	F10 S67 S69 V71 R97 V98	F10-V95 HydrophobicContact CB-CG2 4.18Å; F10-V95 VanDerWaalsContact O-CA 3.26Å; F10-V95 WeakPolarHBondContact O-CA 3.44Å; S67-V95 CarbonylContact C-O 3.32Å; S67-V95 VanDerWaalsContact C-O 3.3Å; S69-V95 PolarHBondContact O-N 2.97Å; V71-V95 HydrophobicContact CG2-CG2 3.48Å; V71-V95 VanDerWaalsContact CG2-CG2 3.48Å; V95-R97 WeakPolarHBondContact CG1-O 3.48Å; V95-V98 HydrophobicContact CG1-CG2 3.64Å
96	T	93.1	Very high	92.6	Very high	28 Å²	28	53 Å²	53	17%	0.172	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-33.4	-175.2	50.4	0	0	0	0	113	T9 F10 S66 S67	T9-T96 HydrophobicContact CG2-CG2 4.11Å; F10-T96 PolarHBondContact O-N 3.27Å; F10-T96 PolarHBondContact O-OG1 3.22Å; S66-T96 WeakPolarHBondContact CA-O 3.35Å; S67-T96 PolarHBondContact N-O 3Å; S67-T96 CarbonylContact O-C 3.59Å; S67-T96 WeakPolarHBondContact O-CA 3.44Å
97	R	94.2	Very high	92.7	Very high	23 Å²	23	52.5 Å²	52.5	9%	0.087	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	139.4	178.6	-66.7	175.3	66	-146.7	-2.3	110.5	Y11 G12 D41 D42 H65 V95 Y99	Y11-R97 WeakPolarHBondContact CA-O 3.35Å; Y11-R97 HydrophobicContact CD1-CB 3.89Å; Y11-R97 HydrophobicContact CE1-CB 4.11Å; Y11-R97 HydrophobicContact CE1-CG 4.41Å; G12-R97 PolarHBondContact N-O 2.79Å; D41-R97 PolarHBondContact O-NH1 3.4Å; D42-R97 PolarHBondContact O-NH2 3.33Å; D42-R97 WeakPolarHBondContact OD1-CD 3.39Å; D42-R97 IonicContact OD1-CZ 3.89Å; D42-R97 IonicContact OD1-NE 2.66Å; D42-R97 PolarHBondContact OD1-NE 3.23Å; D42-R97 IonicContact OD1-NH1 3.14Å; D42-R97 PolarHBondContact OD1-NH1 3.01Å; H65-R97 CarbonylContact O-C 3.58Å; H65-R97 VanDerWaalsContact O-CA 3.24Å; H65-R97 WeakPolarHBondContact O-CA 3.43Å; V95-R97 WeakPolarHBondContact CG1-O 3.48Å; R97-Y99 PolarHBondContact NH1-OH 3.21Å; R97-Y99 PolarHBondContact NH2-OH 3.39Å
98	V	96.2	Very high	92.7	Very high	23 Å²	23	52.5 Å²	52.5	14%	0.139	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	123.3	177.2	179.6	0	0	0	0	108.9	G12 E14 H65 V95 K100	G12-V98 CarbonylContact O-C 3.48Å; G12-V98 VanDerWaalsContact O-CA 3.29Å; G12-V98 WeakPolarHBondContact O-CA 3.35Å; E14-V98 HydrophobicContact CB-CG1 4.42Å; H65-V98 PolarHBondContact N-O 2.95Å; H65-V98 PolarHBondContact O-N 3.41Å; V95-V98 HydrophobicContact CG1-CG2 3.64Å; V98-K100 HydrophobicContact CG1-CG 4.21Å
99	Y	96.7	Very high	92.7	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.1	174.2	-74	-95.5	0	0	0	110.4	G12 E14 V38 F39 L46 D63 R97	G12-Y99 PolarHBondContact O-N 3.31Å; E14-Y99 PolarHBondContact N-O 2.9Å; V38-Y99 HydrophobicContact CG1-CE1 3.66Å; V38-Y99 WeakPolarHBondContact CG1-OH 3.29Å; V38-Y99 PolarHBondContact O-OH 3.3Å; F39-Y99 HydrophobicContact CD1-CD2 4.02Å; F39-Y99 AromaticContact CD1-CE2 3.38Å; F39-Y99 HydrophobicContact CD1-CE2 3.38Å; F39-Y99 AromaticContact CE1-CD2 3.51Å; F39-Y99 HydrophobicContact CE1-CD2 3.51Å; F39-Y99 AromaticContact CE1-CE2 3.39Å; F39-Y99 HydrophobicContact CE1-CE2 3.39Å; F39-Y99 HydrophobicContact CE1-CG 4.45Å; F39-Y99 HydrophobicContact CZ-CD2 4.46Å; L46-Y99 HydrophobicContact CB-CD1 3.57Å; L46-Y99 HydrophobicContact CB-CE1 4.07Å; L46-Y99 HydrophobicContact CB-CG 4.08Å; L46-Y99 HydrophobicContact CD2-CG 4.2Å; D63-Y99 WeakPolarHBondContact O-CA 3.45Å; R97-Y99 PolarHBondContact NH1-OH 3.21Å; R97-Y99 PolarHBondContact NH2-OH 3.39Å
100	K	95.4	Very high	92.6	Very high	65 Å²	65	52.6 Å²	52.6	28%	0.283	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.6	-179.4	-59.4	-169.6	174.1	-144.7	0	110.9	E14 G62 D63 V98 D102	E14-K100 HydrophobicContact CB-CG 4.2Å; E14-K100 WeakPolarHBondContact OE2-CD 3.42Å; E14-K100 WeakPolarHBondContact OE2-CE 3.41Å; E14-K100 IonicContact OE2-NZ 3.02Å; E14-K100 PolarHBondContact OE2-NZ 3.16Å; G62-K100 CarbonylContact C-O 3.56Å; G62-K100 WeakPolarHBondContact CA-O 3.36Å; D63-K100 PolarHBondContact N-O 2.99Å; D63-K100 PolarHBondContact O-N 3.46Å; V98-K100 HydrophobicContact CG1-CG 4.21Å; K100-D102 WeakPolarHBondContact CB-OD2 3.43Å; K100-D102 PolarHBondContact O-N 3.2Å
101	F	94.8	Very high	92.6	Very high	25 Å²	25	50.6 Å²	50.6	11%	0.11	26%	0.256	C	S	.	.			trans	-100.4	62	-178.7	-65	-94.4	0	0	0	110.3	V13 P16 L29 L46 L48 A60 C61 G62 A103	V13-F101 HydrophobicContact CG1-CE2 3.93Å; P16-F101 HydrophobicContact CB-CB 4.19Å; P16-F101 HydrophobicContact CG-CB 3.95Å; P16-F101 HydrophobicContact CG-CD2 4.12Å; P16-F101 HydrophobicContact CG-CG 4.02Å; L29-F101 HydrophobicContact CD2-CE2 4.45Å; L29-F101 HydrophobicContact CD2-CZ 3.82Å; L46-F101 HydrophobicContact CB-CZ 4.42Å; L46-F101 HydrophobicContact CD2-CZ 4.13Å; L46-F101 HydrophobicContact CG-CZ 4.17Å; L46-F101 VanDerWaalsContact O-CE1 3.31Å; L46-F101 WeakPolarHBondContact O-CE1 3.38Å; L48-F101 HydrophobicContact CB-CD1 3.97Å; L48-F101 HydrophobicContact CB-CE1 3.27Å; L48-F101 HydrophobicContact CB-CZ 3.68Å; L48-F101 HydrophobicContact CD2-CD1 4.24Å; L48-F101 HydrophobicContact CD2-CE1 4.19Å; L48-F101 HydrophobicContact CD2-CG 4.49Å; L48-F101 HydrophobicContact CD2-CZ 4.39Å; L48-F101 HydrophobicContact CG-CE1 4.36Å; A60-F101 HydrophobicContact CB-CD1 4.29Å; C61-F101 VanDerWaalsContact C-CD1 3.47Å; G62-F101 VanDerWaalsContact N-CE1 3.31Å; F101-A103 VanDerWaalsContact C-N 3.33Å
102	D	91.3	Very high	92.6	Very high	115 Å²	115	53.9 Å²	53.9	62%	0.615	27%	0.269	S	S	*	.			trans	-80.7	-17	-177.7	-62.3	-39.4	0	0	0	112.5	H65 K100	H65-D102 IonicContact CE1-OD2 3.85Å; K100-D102 WeakPolarHBondContact CB-OD2 3.43Å; K100-D102 PolarHBondContact O-N 3.2Å
103	A	90.4	Very high	92.3	Very high	17 Å²	17	54.5 Å²	54.5	14%	0.14	27%	0.271	C	S	.	.	S	Bend	trans	-74.3	151.1	175.4	0	0	0	0	0	111.9	F101 D168	F101-A103 VanDerWaalsContact C-N 3.33Å; A103-D168 CarbonylContact C-O 3.51Å; A103-D168 WeakPolarHBondContact CA-O 3.17Å; A103-D168 HydrophobicContact CB-CB 3.99Å
104	M	90.9	Very high	92	Very high	95 Å²	95	62.3 Å²	62.3	47%	0.468	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-64.8	145	170	-69.8	176.9	57.1	0	0	110.8	D168 P170	M104-D168 PolarHBondContact N-O 3.38Å; M104-P170 HydrophobicContact SD-CB 3.53Å; M104-P170 VanDerWaalsContact SD-CB 3.53Å; M104-P170 WeakPolarHBondContact SD-CD 3.32Å; M104-P170 HydrophobicContact SD-CG 3.74Å; M104-P170 VanDerWaalsContact SD-N 3.43Å
105	A	90.9	Very high	91.5	Very high	57 Å²	57	59.4 Å²	59.4	47%	0.471	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-67.6	141	163.2	0	0	0	0	0	109.7	A60	A60-A105 HydrophobicContact CB-CB 4.44Å
106	D	92.3	Very high	90.7	Very high	20 Å²	20	63.9 Å²	63.9	11%	0.107	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-66.5	160.7	176.3	-167	22.8	0	0	0	111.5	K58 Q108 L163 F164 S165	K58-D106 HydrophobicContact CB-CB 4.39Å; K58-D106 HydrophobicContact CD-CB 3.95Å; K58-D106 WeakPolarHBondContact CD-OD2 3.34Å; K58-D106 WeakPolarHBondContact CE-OD2 3.47Å; K58-D106 IonicContact NZ-OD2 2.88Å; K58-D106 PolarHBondContact NZ-OD2 2.92Å; D106-Q108 PolarHBondContact O-N 3.14Å; D106-L163 VanDerWaalsContact OD2-CA 3.32Å; D106-L163 WeakPolarHBondContact OD2-CA 3.31Å; D106-F164 WeakPolarHBondContact OD1-CB 3.39Å; D106-F164 PolarHBondContact OD1-N 3.24Å; D106-F164 PolarHBondContact OD2-N 3.39Å; D106-S165 WeakPolarHBondContact OD1-CB 3.42Å; D106-S165 PolarHBondContact OD1-N 3.18Å
107	F	92.4	Very high	89.5	Confident	130 Å²	130	66.6 Å²	66.6	57%	0.57	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-62	135.1	176.9	-57	-76.8	0	0	0	110.6	K58 F164	K58-F107 WeakPolarHBondContact CD-O 3.46Å; F107-F164 HydrophobicContact CB-CB 3.82Å; F107-F164 HydrophobicContact CB-CD2 4.02Å; F107-F164 HydrophobicContact CB-CG 4.04Å; F107-F164 HydrophobicContact CD2-CB 3.61Å; F107-F164 HydrophobicContact CG-CB 4.19Å; F107-F164 WeakPolarHBondContact O-CD2 3.46Å
108	Q	91.6	Very high	88.1	Confident	102 Å²	102	71.5 Å²	71.5	48%	0.477	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-97.8	129.1	177.3	-63.1	-68.9	-7	0	0	109.5	K58 D106	K58-Q108 PolarHBondContact O-NE2 3.41Å; D106-Q108 PolarHBondContact O-N 3.14Å
109	F	90.3	Very high	86.3	Confident	116 Å²	116	76.3 Å²	76.3	51%	0.509	40%	0.398	S	S	.	.			trans	-120.2	136.2	167.4	-169.5	-106.8	0	0	0	106.8	Y158 P160 F164	F109-Y158 VanDerWaalsContact C-OH 3.25Å; F109-Y158 HydrophobicContact CD1-CD2 4.16Å; F109-Y158 AromaticContact CD1-CE2 3.35Å; F109-Y158 HydrophobicContact CD1-CE2 3.35Å; F109-Y158 AromaticContact CD1-CZ 3.94Å; F109-Y158 AromaticContact CE1-CD2 3.83Å; F109-Y158 HydrophobicContact CE1-CD2 3.83Å; F109-Y158 AromaticContact CE1-CE2 3.43Å; F109-Y158 HydrophobicContact CE1-CE2 3.43Å; F109-Y158 VanDerWaalsContact CE1-CE2 3.43Å; F109-Y158 PolarHBondContact O-OH 3.49Å; F109-P160 HydrophobicContact CD1-CB 4.29Å; F109-F164 HydrophobicContact CB-CE2 3.72Å; F109-F164 HydrophobicContact CB-CZ 3.55Å; F109-F164 HydrophobicContact CG-CZ 4.24Å
110	G	88.7	Confident	84.4	Confident	16 Å²	16	85.9 Å²	85.9	17%	0.165	44%	0.439	C	S	.	.			trans	-123.9	152.6	-174.6	0	0	0	0	0	111.5	F112 Y158	G110-F112 VanDerWaalsContact C-N 3.26Å; G110-F112 PolarHBondContact O-N 3.25Å; G110-Y158 VanDerWaalsContact C-CE2 3.44Å; G110-Y158 WeakPolarHBondContact CA-OH 3.5Å
111	P	91.4	Very high	82.3	Confident	4 Å²	4	87 Å²	87	3%	0.026	46%	0.456	C	S	.	.	S	Bend	trans	-81.9	74.3	-177.3	32.5	-34.4	0	0	0	111.2	F134 Y135 L138 Y158	P111-F134 HydrophobicContact CB-CD2 3.87Å; P111-F134 HydrophobicContact CB-CE1 4.27Å; P111-F134 HydrophobicContact CB-CE2 3.53Å; P111-F134 HydrophobicContact CB-CG 4.38Å; P111-F134 HydrophobicContact CB-CZ 3.75Å; P111-F134 WeakPolarHBondContact O-CD1 3.32Å; P111-F134 PolarHBondContact O-N 3.19Å; P111-Y135 HydrophobicContact CG-CD2 3.55Å; P111-Y135 HydrophobicContact CG-CG 4.08Å; P111-L138 HydrophobicContact CB-CD1 3.33Å; P111-L138 HydrophobicContact CG-CD1 3.9Å; P111-Y158 VanDerWaalsContact CA-CE2 3.49Å; P111-Y158 HydrophobicContact CB-CD1 4.32Å; P111-Y158 HydrophobicContact CB-CD2 3.88Å; P111-Y158 HydrophobicContact CB-CE1 4.22Å; P111-Y158 HydrophobicContact CB-CE2 3.76Å; P111-Y158 HydrophobicContact CB-CG 4.15Å
112	F	89.6	Confident	80.1	Confident	105 Å²	105	95.6 Å²	95.6	46%	0.461	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	140.3	172.8	58.4	-94.1	0	0	0	110.6	G110 Y131 K132 I133	G110-F112 VanDerWaalsContact C-N 3.26Å; G110-F112 PolarHBondContact O-N 3.25Å; F112-Y131 AromaticContact CD2-CD1 3.54Å; F112-Y131 HydrophobicContact CD2-CD1 3.54Å; F112-Y131 AromaticContact CD2-CE1 3.93Å; F112-Y131 HydrophobicContact CD2-CE1 3.93Å; F112-Y131 HydrophobicContact CD2-CG 4.19Å; F112-Y131 HydrophobicContact CE2-CD1 4.1Å; F112-Y131 HydrophobicContact CE2-CE1 4.02Å; F112-K132 CarbonylContact C-O 3.6Å; F112-K132 WeakPolarHBondContact CA-O 3.46Å; F112-I133 HydrophobicContact CB-CG1 4.05Å
113	E	87.5	Confident	78.4	Confident	72 Å²	72	93.1 Å²	93.1	34%	0.336	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.7	178	63.9	-175.3	171.6	0	0	110.4	V115 Y131 K132 F134	E113-V115 PolarHBondContact O-N 3.1Å; E113-Y131 CarbonylContact O-C 3.55Å; E113-Y131 VanDerWaalsContact O-CA 3.26Å; E113-Y131 WeakPolarHBondContact O-CA 3.49Å; E113-K132 HydrophobicContact CG-CB 3.93Å; E113-K132 HydrophobicContact CG-CG 4.5Å; E113-K132 PolarHBondContact N-O 3.26Å; E113-K132 PolarHBondContact O-N 2.93Å; E113-K132 VanDerWaalsContact OE1-CD 3.32Å; E113-K132 WeakPolarHBondContact OE1-CD 3.5Å; E113-K132 WeakPolarHBondContact OE1-CE 3.16Å; E113-K132 IonicContact OE1-NZ 3.47Å; E113-K132 PolarHBondContact OE1-NZ 3.33Å; E113-F134 HydrophobicContact CB-CE1 4.46Å
114	R	86.4	Confident	76.2	Confident	165 Å²	165	98.3 Å²	98.3	62%	0.623	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	122.9	175.2	-175.1	178.8	178.7	-179.5	1.9	108.8	P129 Y131	R114-P129 HydrophobicContact CG-CB 4.2Å; R114-Y131 HydrophobicContact CB-CD1 4.09Å; R114-Y131 HydrophobicContact CB-CE1 3.84Å; R114-Y131 HydrophobicContact CG-CE1 4.3Å
115	V	84.1	Confident	74.7	Confident	54 Å²	54	102.8 Å²	102.8	33%	0.327	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-81.8	123.8	176.2	-175.4	0	0	0	0	108.9	E113 T117 N130 K132	E113-V115 PolarHBondContact O-N 3.1Å; V115-T117 PolarHBondContact O-N 3.04Å; V115-N130 HydrophobicContact CB-CB 4.44Å; V115-N130 PolarHBondContact N-O 2.83Å; V115-K132 HydrophobicContact CG2-CB 3.82Å
116	P	77.3	Confident	73.2	Confident	109 Å²	109	107.2 Å²	107.2	71%	0.708	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-58.6	124.1	174.3	-21.9	32.5	0	0	0	110.4	T118	P116-T118 PolarHBondContact O-N 2.83Å
117	T	67.1	Low	71.8	Confident	85 Å²	85	111.9 Å²	111.9	52%	0.521	60%	0.595	S	S	.	*			trans	-81.8	110.4	176.1	-11.9	0	0	0	0	107.8	V115 D119	V115-T117 PolarHBondContact O-N 3.04Å; T117-D119 VanDerWaalsContact C-N 3.26Å; T117-D119 PolarHBondContact O-N 3.09Å
118	T	64.5	Low	70.7	Confident	127 Å²	127	110.6 Å²	110.6	78%	0.779	60%	0.599	S	S	*	*			trans	-76.7	-11.3	-179.7	44.6	0	0	0	0	113.6	P116 K120	P116-T118 PolarHBondContact O-N 2.83Å; T118-K120 PolarHBondContact O-N 2.74Å; T118-K120 VanDerWaalsContact O-N 3.16Å
119	D	59.1	Low	69.7	Low	123 Å²	123	108.1 Å²	108.1	66%	0.658	59%	0.592	S	S	*	*			trans	-86.8	91.6	-176.3	-69.2	-14.8	0	0	0	111.3	T117 S121	T117-D119 VanDerWaalsContact C-N 3.26Å; T117-D119 PolarHBondContact O-N 3.09Å; D119-S121 PolarHBondContact O-N 2.79Å; D119-S121 VanDerWaalsContact O-N 3.08Å
120	K	55.6	Low	69.3	Low	201 Å²	201	107.6 Å²	107.6	87%	0.874	59%	0.594	S	S	*	*			trans	-75.7	42.2	161.7	-66.7	-176.2	178.5	178.3	0	111.4	T118 E122	T118-K120 PolarHBondContact O-N 2.74Å; T118-K120 VanDerWaalsContact O-N 3.16Å; K120-E122 PolarHBondContact O-N 3.21Å
121	S	53.1	Low	69.1	Low	90 Å²	90	112 Å²	112	63%	0.629	61%	0.607	S	S	*	*			trans	-70.3	106.1	174.2	41	0	0	0	0	109.1	D119 G123	D119-S121 PolarHBondContact O-N 2.79Å; D119-S121 VanDerWaalsContact O-N 3.08Å; S121-G123 PolarHBondContact O-N 3.12Å
122	E	48.6	Very low	68.9	Low	205 Å²	205	116.8 Å²	116.8	96%	0.958	63%	0.627	S	S	*	*			trans	-52.3	98.6	171	-69.7	177.5	148.7	0	0	109.5	K120	K120-E122 PolarHBondContact O-N 3.21Å
123	G	55.2	Low	69	Low	63 Å²	63	118 Å²	118	65%	0.649	64%	0.637	S	S	*	*			trans	176.4	44.5	-170.9	0	0	0	0	0	116.6	S121 K125	S121-G123 PolarHBondContact O-N 3.12Å; G123-K125 PolarHBondContact O-N 3.44Å
124	S	44	Very low	69.1	Low	126 Å²	126	115 Å²	115	88%	0.881	62%	0.623	S	S	*	*			trans	34.4	58.2	148.6	-160.9	0	0	0	0	119
125	K	59.1	Low	69.2	Low	189 Å²	189	108.7 Å²	108.7	82%	0.822	60%	0.599	S	S	*	*			trans	-144.6	126.4	147.7	-74.4	-171.5	-178.6	174	0	107.6	G123 I127	G123-K125 PolarHBondContact O-N 3.44Å; K125-I127 PolarHBondContact O-N 2.76Å
126	V	60.2	Low	69.3	Low	149 Å²	149	110.9 Å²	110.9	90%	0.903	61%	0.609	S	S	*	*			trans	-62.7	99	175.8	179.6	0	0	0	0	107.9
127	I	62.5	Low	69.7	Low	119 Å²	119	109 Å²	109	61%	0.61	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-71.5	125.5	173.6	-57	174.3	0	0	0	106.4	K125	K125-I127 PolarHBondContact O-N 2.76Å
128	P	67.9	Low	70.6	Confident	103 Å²	103	106.3 Å²	106.3	67%	0.669	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-58.5	142.8	177	23.5	-32	0	0	0	109.9	N130	P128-N130 PolarHBondContact O-N 2.82Å
129	P	71.1	Confident	71.5	Confident	50 Å²	50	101.9 Å²	101.9	33%	0.325	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-57.1	132.1	178.3	22.2	-31.2	0	0	0	110.2	R114 Y131	R114-P129 HydrophobicContact CG-CB 4.2Å; P129-Y131 HydrophobicContact CB-CE2 4Å; P129-Y131 HydrophobicContact CG-CE2 3.73Å; P129-Y131 WeakPolarHBondContact O-CD2 3.18Å
130	N	81.4	Confident	72.7	Confident	104 Å²	104	99.8 Å²	99.8	56%	0.556	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-80.7	136.4	175.7	-161.2	6	0	0	0	109.3	V115 P128	V115-N130 HydrophobicContact CB-CB 4.44Å; V115-N130 PolarHBondContact N-O 2.83Å; P128-N130 PolarHBondContact O-N 2.82Å
131	Y	86.3	Confident	73.7	Confident	110 Å²	110	96.6 Å²	96.6	43%	0.431	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.9	-179.4	-69	-83.6	0	0	0	110.5	F112 E113 R114 P129	F112-Y131 AromaticContact CD2-CD1 3.54Å; F112-Y131 HydrophobicContact CD2-CD1 3.54Å; F112-Y131 AromaticContact CD2-CE1 3.93Å; F112-Y131 HydrophobicContact CD2-CE1 3.93Å; F112-Y131 HydrophobicContact CD2-CG 4.19Å; F112-Y131 HydrophobicContact CE2-CD1 4.1Å; F112-Y131 HydrophobicContact CE2-CE1 4.02Å; E113-Y131 CarbonylContact O-C 3.55Å; E113-Y131 VanDerWaalsContact O-CA 3.26Å; E113-Y131 WeakPolarHBondContact O-CA 3.49Å; R114-Y131 HydrophobicContact CB-CD1 4.09Å; R114-Y131 HydrophobicContact CB-CE1 3.84Å; R114-Y131 HydrophobicContact CG-CE1 4.3Å; P129-Y131 HydrophobicContact CB-CE2 4Å; P129-Y131 HydrophobicContact CG-CE2 3.73Å; P129-Y131 WeakPolarHBondContact O-CD2 3.18Å
132	K	87.1	Confident	74.9	Confident	104 Å²	104	98.2 Å²	98.2	45%	0.452	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.9	170.2	174.2	175.9	153.7	-138.8	0	108.4	F112 E113 V115	F112-K132 CarbonylContact C-O 3.6Å; F112-K132 WeakPolarHBondContact CA-O 3.46Å; E113-K132 HydrophobicContact CG-CB 3.93Å; E113-K132 HydrophobicContact CG-CG 4.5Å; E113-K132 PolarHBondContact N-O 3.26Å; E113-K132 PolarHBondContact O-N 2.93Å; E113-K132 VanDerWaalsContact OE1-CD 3.32Å; E113-K132 WeakPolarHBondContact OE1-CD 3.5Å; E113-K132 WeakPolarHBondContact OE1-CE 3.16Å; E113-K132 IonicContact OE1-NZ 3.47Å; E113-K132 PolarHBondContact OE1-NZ 3.33Å; V115-K132 HydrophobicContact CG2-CB 3.82Å
133	I	90	Very high	76.4	Confident	129 Å²	129	95.1 Å²	95.1	66%	0.662	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.7	177.8	-56.6	171	0	0	0	108.1	F112	F112-I133 HydrophobicContact CB-CG1 4.05Å
134	F	90	Very high	77.6	Confident	10 Å²	10	95.6 Å²	95.6	4%	0.044	51%	0.511	C	S	.	.			trans	-117.9	20	-178.3	59.6	-90.2	0	0	0	112.4	P111 E113 N136 D137 L138 P156 Y158	P111-F134 HydrophobicContact CB-CD2 3.87Å; P111-F134 HydrophobicContact CB-CE1 4.27Å; P111-F134 HydrophobicContact CB-CE2 3.53Å; P111-F134 HydrophobicContact CB-CG 4.38Å; P111-F134 HydrophobicContact CB-CZ 3.75Å; P111-F134 WeakPolarHBondContact O-CD1 3.32Å; P111-F134 PolarHBondContact O-N 3.19Å; E113-F134 HydrophobicContact CB-CE1 4.46Å; F134-N136 VanDerWaalsContact C-N 3.3Å; F134-N136 PolarHBondContact O-N 3.47Å; F134-D137 WeakPolarHBondContact CA-OD2 3.48Å; F134-D137 WeakPolarHBondContact CB-OD2 3.02Å; F134-D137 WeakPolarHBondContact O-CB 3.43Å; F134-D137 PolarHBondContact O-N 2.73Å; F134-L138 HydrophobicContact CD2-CD1 3.94Å; F134-L138 HydrophobicContact CD2-CD2 4.47Å; F134-L138 HydrophobicContact CD2-CG 4.02Å; F134-L138 HydrophobicContact CE2-CD1 3.81Å; F134-L138 HydrophobicContact CE2-CD2 4.42Å; F134-L138 HydrophobicContact CE2-CG 4.23Å; F134-L138 PolarHBondContact O-N 2.8Å; F134-P156 HydrophobicContact CD1-CG 4.06Å; F134-P156 HydrophobicContact CD2-CB 4.45Å; F134-P156 HydrophobicContact CD2-CG 4.29Å; F134-P156 HydrophobicContact CE1-CB 4.11Å; F134-P156 HydrophobicContact CE1-CG 4.1Å; F134-P156 HydrophobicContact CE2-CB 4.01Å; F134-P156 HydrophobicContact CE2-CG 4.32Å; F134-P156 HydrophobicContact CG-CG 4.17Å; F134-P156 HydrophobicContact CZ-CB 3.84Å; F134-P156 HydrophobicContact CZ-CG 4.23Å; F134-Y158 HydrophobicContact CE2-CD2 4.18Å; F134-Y158 HydrophobicContact CE2-CG 4.17Å; F134-Y158 HydrophobicContact CZ-CD2 4.02Å; F134-Y158 HydrophobicContact CZ-CG 4.45Å
135	Y	89.4	Confident	79.4	Confident	33 Å²	33	96.5 Å²	96.5	13%	0.129	51%	0.511	C	S	.	.	H	α-helix	trans	-52.7	-43.9	178.5	-176.6	-91	0	0	0	113.4	H53 M54 V55 Y56 P111 D137 L138 I139	H53-Y135 PolarHBondContact O-OH 3.03Å; M54-Y135 WeakPolarHBondContact CA-OH 3.17Å; M54-Y135 HydrophobicContact CB-CE2 4.46Å; M54-Y135 HydrophobicContact CE-CD2 3.94Å; M54-Y135 HydrophobicContact CE-CE2 3.84Å; V55-Y135 PolarHBondContact N-OH 3.36Å; Y56-Y135 HydrophobicContact CD2-CD2 4.17Å; Y56-Y135 AromaticContact CD2-CE2 3.77Å; Y56-Y135 HydrophobicContact CD2-CE2 3.77Å; P111-Y135 HydrophobicContact CG-CD2 3.55Å; P111-Y135 HydrophobicContact CG-CG 4.08Å; Y135-D137 PolarHBondContact O-N 3.46Å; Y135-L138 PolarHBondContact O-N 3.28Å; Y135-L138 VanDerWaalsContact O-N 3.17Å; Y135-I139 HydrophobicContact CD1-CD1 4.22Å; Y135-I139 HydrophobicContact CD1-CG1 4.45Å; Y135-I139 HydrophobicContact CE1-CD1 3.34Å; Y135-I139 HydrophobicContact CE1-CG1 4.01Å; Y135-I139 HydrophobicContact CE2-CD1 3.85Å; Y135-I139 PolarHBondContact O-N 3.02Å; Y135-I139 WeakPolarHBondContact OH-CD1 3.31Å
136	N	86.3	Confident	80.3	Confident	99 Å²	99	93.7 Å²	93.7	53%	0.529	50%	0.502	S	S	.	.	H	α-helix	trans	-67.8	-22.3	-178.7	-73.7	-43.1	0	0	0	112.7	F134 L138 K141	F134-N136 VanDerWaalsContact C-N 3.3Å; F134-N136 PolarHBondContact O-N 3.47Å; N136-L138 VanDerWaalsContact C-N 3.33Å; N136-K141 VanDerWaalsContact OD1-CE 3.29Å; N136-K141 WeakPolarHBondContact OD1-CE 3.47Å; N136-K141 PolarHBondContact OD1-NZ 3.25Å
137	D	85.1	Confident	81.3	Confident	71 Å²	71	90.3 Å²	90.3	38%	0.38	48%	0.478	S	S	.	.	H	α-helix	trans	-76.2	-29.2	177.8	-53.5	-42.8	0	0	0	110.2	F134 Y135 Y150 M155	F134-D137 WeakPolarHBondContact CA-OD2 3.48Å; F134-D137 WeakPolarHBondContact CB-OD2 3.02Å; F134-D137 WeakPolarHBondContact O-CB 3.43Å; F134-D137 PolarHBondContact O-N 2.73Å; Y135-D137 PolarHBondContact O-N 3.46Å; D137-Y150 WeakPolarHBondContact O-CE2 3.46Å; D137-Y150 VanDerWaalsContact O-CZ 3.25Å; D137-Y150 PolarHBondContact O-OH 3.4Å; D137-M155 HydrophobicContact CB-CE 4.28Å; D137-M155 WeakPolarHBondContact O-CE 3.32Å
138	L	85.6	Confident	82.2	Confident	28 Å²	28	90.3 Å²	90.3	15%	0.147	48%	0.479	C	S	.	.	H	α-helix	trans	-82.9	-17.2	-180	-65	171	0	0	0	115.5	Y56 P111 F134 Y135 N136 Y150 M155 Y158	Y56-L138 HydrophobicContact CE2-CB 4.06Å; Y56-L138 HydrophobicContact CE2-CD1 3.98Å; P111-L138 HydrophobicContact CB-CD1 3.33Å; P111-L138 HydrophobicContact CG-CD1 3.9Å; F134-L138 HydrophobicContact CD2-CD1 3.94Å; F134-L138 HydrophobicContact CD2-CD2 4.47Å; F134-L138 HydrophobicContact CD2-CG 4.02Å; F134-L138 HydrophobicContact CE2-CD1 3.81Å; F134-L138 HydrophobicContact CE2-CD2 4.42Å; F134-L138 HydrophobicContact CE2-CG 4.23Å; F134-L138 PolarHBondContact O-N 2.8Å; Y135-L138 PolarHBondContact O-N 3.28Å; Y135-L138 VanDerWaalsContact O-N 3.17Å; N136-L138 VanDerWaalsContact C-N 3.33Å; L138-Y150 WeakPolarHBondContact CA-OH 3.44Å; L138-Y150 PolarHBondContact O-OH 3.01Å; L138-M155 HydrophobicContact CD2-CE 3.8Å; L138-M155 HydrophobicContact CG-CE 4.44Å; L138-Y158 HydrophobicContact CD1-CD1 3.45Å; L138-Y158 VanDerWaalsContact CD1-CD1 3.45Å; L138-Y158 HydrophobicContact CD1-CE1 4.1Å; L138-Y158 HydrophobicContact CD1-CG 3.74Å
139	I	84.5	Confident	82.7	Confident	33 Å²	33	89.1 Å²	89.1	17%	0.169	47%	0.474	C	S	.	.			trans	-107.8	125.7	-175.9	-58.7	-154.4	0	0	0	112.1	V55 Y56 Y135 K141 Y150	V55-I139 HydrophobicContact CB-CD1 3.89Å; V55-I139 HydrophobicContact CG2-CD1 3.66Å; Y56-I139 HydrophobicContact CE2-CG1 4.38Å; Y135-I139 HydrophobicContact CD1-CD1 4.22Å; Y135-I139 HydrophobicContact CD1-CG1 4.45Å; Y135-I139 HydrophobicContact CE1-CD1 3.34Å; Y135-I139 HydrophobicContact CE1-CG1 4.01Å; Y135-I139 HydrophobicContact CE2-CD1 3.85Å; Y135-I139 PolarHBondContact O-N 3.02Å; Y135-I139 WeakPolarHBondContact OH-CD1 3.31Å; I139-K141 HydrophobicContact CG2-CG 4.35Å; I139-K141 PolarHBondContact O-N 2.92Å; I139-Y150 PolarHBondContact N-OH 3.03Å; I139-Y150 VanDerWaalsContact N-OH 3.07Å
140	I	82.6	Confident	83.1	Confident	79 Å²	79	88 Å²	88	41%	0.405	46%	0.463	S	S	.	.			trans	-76.3	103.4	165.1	-56.1	175.3	0	0	0	107.7	D142 T144 I147 Y150	I140-D142 VanDerWaalsContact CG2-O 3.25Å; I140-D142 WeakPolarHBondContact CG2-O 3.4Å; I140-T144 HydrophobicContact CG2-CG2 4.15Å; I140-I147 HydrophobicContact CD1-CD1 4.26Å; I140-I147 HydrophobicContact CD1-CG1 4.39Å; I140-Y150 HydrophobicContact CD1-CD1 3.97Å; I140-Y150 HydrophobicContact CD1-CE1 3.93Å; I140-Y150 HydrophobicContact CG1-CD1 3.82Å; I140-Y150 HydrophobicContact CG1-CD2 4.38Å; I140-Y150 HydrophobicContact CG1-CE1 3.46Å; I140-Y150 VanDerWaalsContact CG1-CE1 3.46Å; I140-Y150 HydrophobicContact CG1-CE2 4.1Å; I140-Y150 HydrophobicContact CG1-CG 4.25Å
141	K	77.5	Confident	83.1	Confident	135 Å²	135	88.6 Å²	88.6	59%	0.587	47%	0.466	S	S	*	.			trans	-77.8	-36.2	-178.5	-67	-176.6	179.9	-179.7	0	113	N136 I139	N136-K141 VanDerWaalsContact OD1-CE 3.29Å; N136-K141 WeakPolarHBondContact OD1-CE 3.47Å; N136-K141 PolarHBondContact OD1-NZ 3.25Å; I139-K141 HydrophobicContact CG2-CG 4.35Å; I139-K141 PolarHBondContact O-N 2.92Å
142	D	78.9	Confident	83	Confident	123 Å²	123	88.1 Å²	88.1	66%	0.658	48%	0.479	S	S	*	.	S	Bend	trans	-116	142	-173	-59.3	-56	0	0	0	110.6	I140 T144	I140-D142 VanDerWaalsContact CG2-O 3.25Å; I140-D142 WeakPolarHBondContact CG2-O 3.4Å; D142-T144 PolarHBondContact O-N 3.46Å; D142-T144 VanDerWaalsContact O-N 3.08Å
143	P	79.8	Confident	82.7	Confident	140 Å²	140	89.2 Å²	89.2	91%	0.909	48%	0.48	S	S	*	.			trans	-54.9	117.8	170	-21.1	31.6	0	0	0	109.6
144	T	80.2	Confident	82.5	Confident	74 Å²	74	91.3 Å²	91.3	45%	0.454	49%	0.493	S	S	.	.			trans	-126.5	140.1	178.7	-173.4	0	0	0	0	110.1	I140 D142 M146	I140-T144 HydrophobicContact CG2-CG2 4.15Å; D142-T144 PolarHBondContact O-N 3.46Å; D142-T144 VanDerWaalsContact O-N 3.08Å; T144-M146 PolarHBondContact OG1-N 2.89Å
145	T	80.9	Confident	82.1	Confident	144 Å²	144	93.4 Å²	93.4	88%	0.883	50%	0.503	S	S	*	.	S	Bend	trans	-88.7	-9.7	170.4	51	0	0	0	0	112.3
146	M	78.1	Confident	81.9	Confident	131 Å²	131	93.6 Å²	93.6	65%	0.645	51%	0.508	S	S	*	.			trans	-109.8	67.1	-173.2	-62.2	-70.7	-85.2	0	0	110.7	T144 D148 S149	T144-M146 PolarHBondContact OG1-N 2.89Å; M146-D148 VanDerWaalsContact C-N 3.34Å; M146-D148 PolarHBondContact O-N 3.44Å; M146-S149 PolarHBondContact O-OG 3.41Å; M146-S149 VanDerWaalsContact O-OG 3.13Å
147	I	82.3	Confident	81.8	Confident	78 Å²	78	96 Å²	96	40%	0.4	52%	0.52	S	S	.	.			trans	-70.6	-28.4	-174.5	-153.9	163.6	0	0	0	113	I140 S149 Y150 L151	I140-I147 HydrophobicContact CD1-CD1 4.26Å; I140-I147 HydrophobicContact CD1-CG1 4.39Å; I147-S149 VanDerWaalsContact C-N 3.32Å; I147-S149 PolarHBondContact O-N 2.91Å; I147-Y150 WeakPolarHBondContact O-CA 3.29Å; I147-Y150 VanDerWaalsContact O-CB 3.3Å; I147-Y150 WeakPolarHBondContact O-CB 3.46Å; I147-Y150 PolarHBondContact O-N 3.14Å; I147-L151 HydrophobicContact CG1-CD1 4.11Å; I147-L151 HydrophobicContact CG1-CG 4.1Å; I147-L151 HydrophobicContact CG2-CD1 4.07Å; I147-L151 WeakPolarHBondContact O-CG 3.33Å; I147-L151 PolarHBondContact O-N 3.03Å
148	D	81.2	Confident	82	Confident	118 Å²	118	93.3 Å²	93.3	63%	0.631	51%	0.505	S	S	*	.	H	α-helix	trans	-60.2	-40.3	-174.7	-60.2	-27.3	0	0	0	112.7	M146 Y150 L151 S152	M146-D148 VanDerWaalsContact C-N 3.34Å; M146-D148 PolarHBondContact O-N 3.44Å; D148-Y150 PolarHBondContact O-N 3.35Å; D148-L151 PolarHBondContact O-N 2.78Å; D148-S152 WeakPolarHBondContact O-CB 3.28Å; D148-S152 PolarHBondContact O-N 2.79Å; D148-S152 PolarHBondContact O-OG 2.79Å
149	S	79.1	Confident	82.1	Confident	79 Å²	79	99 Å²	99	55%	0.552	54%	0.535	S	S	*	.	H	α-helix	trans	-64.4	-26.9	177.1	69.7	0	0	0	0	113.1	M146 I147	M146-S149 PolarHBondContact O-OG 3.41Å; M146-S149 VanDerWaalsContact O-OG 3.13Å; I147-S149 VanDerWaalsContact C-N 3.32Å; I147-S149 PolarHBondContact O-N 2.91Å
150	Y	78.9	Confident	82.4	Confident	26 Å²	26	99.2 Å²	99.2	10%	0.102	54%	0.538	C	S	.	.	H	α-helix	trans	-81.9	-43.7	177.1	-179.6	-94	0	0	0	110.9	D137 L138 I139 I140 I147 D148 S152 R153	D137-Y150 WeakPolarHBondContact O-CE2 3.46Å; D137-Y150 VanDerWaalsContact O-CZ 3.25Å; D137-Y150 PolarHBondContact O-OH 3.4Å; L138-Y150 WeakPolarHBondContact CA-OH 3.44Å; L138-Y150 PolarHBondContact O-OH 3.01Å; I139-Y150 PolarHBondContact N-OH 3.03Å; I139-Y150 VanDerWaalsContact N-OH 3.07Å; I140-Y150 HydrophobicContact CD1-CD1 3.97Å; I140-Y150 HydrophobicContact CD1-CE1 3.93Å; I140-Y150 HydrophobicContact CG1-CD1 3.82Å; I140-Y150 HydrophobicContact CG1-CD2 4.38Å; I140-Y150 HydrophobicContact CG1-CE1 3.46Å; I140-Y150 VanDerWaalsContact CG1-CE1 3.46Å; I140-Y150 HydrophobicContact CG1-CE2 4.1Å; I140-Y150 HydrophobicContact CG1-CG 4.25Å; I147-Y150 WeakPolarHBondContact O-CA 3.29Å; I147-Y150 VanDerWaalsContact O-CB 3.3Å; I147-Y150 WeakPolarHBondContact O-CB 3.46Å; I147-Y150 PolarHBondContact O-N 3.14Å; D148-Y150 PolarHBondContact O-N 3.35Å; Y150-S152 VanDerWaalsContact C-N 3.27Å; Y150-S152 PolarHBondContact O-N 3.32Å; Y150-R153 WeakPolarHBondContact O-CG 3.34Å; Y150-R153 PolarHBondContact O-N 2.97Å
151	L	81.8	Confident	82.9	Confident	116 Å²	116	98.5 Å²	98.5	61%	0.607	54%	0.539	S	S	*	.	H	α-helix	trans	-69.4	-22.8	178.5	-63	175.6	0	0	0	113.5	I147 D148 R153	I147-L151 HydrophobicContact CG1-CD1 4.11Å; I147-L151 HydrophobicContact CG1-CG 4.1Å; I147-L151 HydrophobicContact CG2-CD1 4.07Å; I147-L151 WeakPolarHBondContact O-CG 3.33Å; I147-L151 PolarHBondContact O-N 3.03Å; D148-L151 PolarHBondContact O-N 2.78Å; L151-R153 VanDerWaalsContact C-N 3.28Å; L151-R153 PolarHBondContact O-N 3.35Å
152	S	83.6	Confident	83.4	Confident	101 Å²	101	98.4 Å²	98.4	71%	0.706	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	2.7	180	-54.7	0	0	0	0	114.1	D148 Y150	D148-S152 WeakPolarHBondContact O-CB 3.28Å; D148-S152 PolarHBondContact O-N 2.79Å; D148-S152 PolarHBondContact O-OG 2.79Å; Y150-S152 VanDerWaalsContact C-N 3.27Å; Y150-S152 PolarHBondContact O-N 3.32Å
153	R	82.2	Confident	83.9	Confident	127 Å²	127	98 Å²	98	48%	0.479	55%	0.546	S	S	.	.	S	Bend	trans	-74.3	140.5	-178.4	-67	175.2	-177.4	-177.3	0.6	110.5	Y150 L151 M155	Y150-R153 WeakPolarHBondContact O-CG 3.34Å; Y150-R153 PolarHBondContact O-N 2.97Å; L151-R153 VanDerWaalsContact C-N 3.28Å; L151-R153 PolarHBondContact O-N 3.35Å; R153-M155 HydrophobicContact CB-SD 3.79Å; R153-M155 WeakPolarHBondContact O-CG 3.2Å; R153-M155 PolarHBondContact O-N 3.28Å
154	D	84.5	Confident	84.5	Confident	173 Å²	173	95.1 Å²	95.1	93%	0.925	52%	0.52	S	S	*	.			trans	-75.6	114.3	169.6	-174.2	24.4	0	0	0	109.3
155	M	81.8	Confident	84.9	Confident	53 Å²	53	93.2 Å²	93.2	26%	0.261	51%	0.51	S	S	.	.			trans	-151.9	145.9	-173.5	51.2	-153.5	-73	0	0	111.2	D137 L138 R153 L157	D137-M155 HydrophobicContact CB-CE 4.28Å; D137-M155 WeakPolarHBondContact O-CE 3.32Å; L138-M155 HydrophobicContact CD2-CE 3.8Å; L138-M155 HydrophobicContact CG-CE 4.44Å; R153-M155 HydrophobicContact CB-SD 3.79Å; R153-M155 WeakPolarHBondContact O-CG 3.2Å; R153-M155 PolarHBondContact O-N 3.28Å; M155-L157 PolarHBondContact O-N 3.47Å
156	P	84.3	Confident	85.2	Confident	38 Å²	38	98 Å²	98	25%	0.247	51%	0.511	C	S	.	.			trans	-58.8	137.8	179.9	-23.2	33.5	0	0	0	112	F134 Y158	F134-P156 HydrophobicContact CD1-CG 4.06Å; F134-P156 HydrophobicContact CD2-CB 4.45Å; F134-P156 HydrophobicContact CD2-CG 4.29Å; F134-P156 HydrophobicContact CE1-CB 4.11Å; F134-P156 HydrophobicContact CE1-CG 4.1Å; F134-P156 HydrophobicContact CE2-CB 4.01Å; F134-P156 HydrophobicContact CE2-CG 4.32Å; F134-P156 HydrophobicContact CG-CG 4.17Å; F134-P156 HydrophobicContact CZ-CB 3.84Å; F134-P156 HydrophobicContact CZ-CG 4.23Å; P156-Y158 PolarHBondContact O-N 3.48Å
157	L	85.2	Confident	85.6	Confident	149 Å²	149	97.1 Å²	97.1	78%	0.78	51%	0.506	S	S	*	.			trans	-60.5	121	175.2	-178.1	64.9	0	0	0	109.9	M155 L159	M155-L157 PolarHBondContact O-N 3.47Å; L157-L159 HydrophobicContact CD1-CD1 3.81Å; L157-L159 HydrophobicContact CD1-CG 4.12Å
158	Y	88.9	Confident	85.6	Confident	14 Å²	14	96.9 Å²	96.9	6%	0.055	51%	0.505	C	S	.	.			trans	-138.6	92.2	-179.3	-172.2	-93	0	0	0	111.1	Y56 F109 G110 P111 F134 L138 P156 P160	Y56-Y158 AromaticContact CD1-CE1 3.79Å; Y56-Y158 HydrophobicContact CD1-CE1 3.79Å; Y56-Y158 HydrophobicContact CD2-CE1 4.03Å; Y56-Y158 HydrophobicContact CE1-CD1 4.26Å; Y56-Y158 AromaticContact CE1-CE1 3.94Å; Y56-Y158 HydrophobicContact CE1-CE1 3.94Å; Y56-Y158 HydrophobicContact CE2-CD1 4.45Å; Y56-Y158 HydrophobicContact CE2-CE1 4.18Å; Y56-Y158 AromaticContact CG-CE1 3.84Å; Y56-Y158 HydrophobicContact CG-CE1 3.84Å; F109-Y158 VanDerWaalsContact C-OH 3.25Å; F109-Y158 HydrophobicContact CD1-CD2 4.16Å; F109-Y158 AromaticContact CD1-CE2 3.35Å; F109-Y158 HydrophobicContact CD1-CE2 3.35Å; F109-Y158 AromaticContact CD1-CZ 3.94Å; F109-Y158 AromaticContact CE1-CD2 3.83Å; F109-Y158 HydrophobicContact CE1-CD2 3.83Å; F109-Y158 AromaticContact CE1-CE2 3.43Å; F109-Y158 HydrophobicContact CE1-CE2 3.43Å; F109-Y158 VanDerWaalsContact CE1-CE2 3.43Å; F109-Y158 PolarHBondContact O-OH 3.49Å; G110-Y158 VanDerWaalsContact C-CE2 3.44Å; G110-Y158 WeakPolarHBondContact CA-OH 3.5Å; P111-Y158 VanDerWaalsContact CA-CE2 3.49Å; P111-Y158 HydrophobicContact CB-CD1 4.32Å; P111-Y158 HydrophobicContact CB-CD2 3.88Å; P111-Y158 HydrophobicContact CB-CE1 4.22Å; P111-Y158 HydrophobicContact CB-CE2 3.76Å; P111-Y158 HydrophobicContact CB-CG 4.15Å; F134-Y158 HydrophobicContact CE2-CD2 4.18Å; F134-Y158 HydrophobicContact CE2-CG 4.17Å; F134-Y158 HydrophobicContact CZ-CD2 4.02Å; F134-Y158 HydrophobicContact CZ-CG 4.45Å; L138-Y158 HydrophobicContact CD1-CD1 3.45Å; L138-Y158 VanDerWaalsContact CD1-CD1 3.45Å; L138-Y158 HydrophobicContact CD1-CE1 4.1Å; L138-Y158 HydrophobicContact CD1-CG 3.74Å; P156-Y158 PolarHBondContact O-N 3.48Å; Y158-P160 HydrophobicContact CD1-CG 4.26Å; Y158-P160 VanDerWaalsContact CE1-CD 3.5Å; Y158-P160 HydrophobicContact CE1-CG 3.62Å
159	L	88.9	Confident	85.7	Confident	149 Å²	149	95.7 Å²	95.7	78%	0.78	50%	0.502	S	S	*	.			trans	-131.7	67.9	179.5	-66.6	174.3	0	0	0	110.2	L157	L157-L159 HydrophobicContact CD1-CD1 3.81Å; L157-L159 HydrophobicContact CD1-CG 4.12Å
160	P	90.9	Very high	85.8	Confident	36 Å²	36	95.3 Å²	95.3	23%	0.234	50%	0.498	C	S	.	.			trans	-65.3	145.7	177.2	29.5	-35.3	0	0	0	110.4	Y56 F109 Y158 F164	Y56-P160 HydrophobicContact CD1-CG 4.48Å; F109-P160 HydrophobicContact CD1-CB 4.29Å; Y158-P160 HydrophobicContact CD1-CG 4.26Å; Y158-P160 VanDerWaalsContact CE1-CD 3.5Å; Y158-P160 HydrophobicContact CE1-CG 3.62Å; P160-F164 HydrophobicContact CB-CE2 4.22Å; P160-F164 HydrophobicContact CB-CZ 3.95Å
161	P	91.5	Very high	85.6	Confident	64 Å²	64	97.8 Å²	97.8	42%	0.416	52%	0.519	S	S	.	.			trans	-62	148.2	174.2	28.5	-36.1	0	0	0	110.5	K58 L163 F164	K58-P161 WeakPolarHBondContact CE-O 2.93Å; K58-P161 PolarHBondContact NZ-O 3.39Å; P161-L163 PolarHBondContact O-N 3.25Å; P161-F164 HydrophobicContact CG-CD1 3.55Å; P161-F164 HydrophobicContact CG-CD2 4.37Å; P161-F164 HydrophobicContact CG-CE1 3.54Å; P161-F164 HydrophobicContact CG-CE2 4.34Å; P161-F164 HydrophobicContact CG-CG 3.98Å; P161-F164 HydrophobicContact CG-CZ 3.94Å
162	V	88.6	Confident	85.1	Confident	134 Å²	134	100.3 Å²	100.3	81%	0.812	53%	0.525	S	S	*	.	S	Bend	trans	-56	-40.1	178.3	-179	0	0	0	0	111.2	K58	K58-V162 WeakPolarHBondContact CE-O 3.41Å; K58-V162 PolarHBondContact NZ-O 2.72Å
163	L	89.6	Confident	84.5	Confident	113 Å²	113	100.6 Å²	100.6	59%	0.592	51%	0.512	S	S	*	.			trans	-127.9	129.5	173.8	-65.7	169.1	0	0	0	108.8	K58 D106 P161	K58-L163 VanDerWaalsContact NZ-CA 3.32Å; D106-L163 VanDerWaalsContact OD2-CA 3.32Å; D106-L163 WeakPolarHBondContact OD2-CA 3.31Å; P161-L163 PolarHBondContact O-N 3.25Å
164	F	91.3	Very high	83.5	Confident	81 Å²	81	100.2 Å²	100.2	36%	0.355	52%	0.519	S	S	.	.	S	Bend	trans	-86.4	-48.6	171.8	-78.4	-80.5	0	0	0	109.6	K58 D106 F107 F109 P160 P161	K58-F164 HydrophobicContact CD-CD2 4.3Å; K58-F164 VanDerWaalsContact CE-CD2 3.44Å; K58-F164 VanDerWaalsContact NZ-N 3.18Å; D106-F164 WeakPolarHBondContact OD1-CB 3.39Å; D106-F164 PolarHBondContact OD1-N 3.24Å; D106-F164 PolarHBondContact OD2-N 3.39Å; F107-F164 HydrophobicContact CB-CB 3.82Å; F107-F164 HydrophobicContact CB-CD2 4.02Å; F107-F164 HydrophobicContact CB-CG 4.04Å; F107-F164 HydrophobicContact CD2-CB 3.61Å; F107-F164 HydrophobicContact CG-CB 4.19Å; F107-F164 WeakPolarHBondContact O-CD2 3.46Å; F109-F164 HydrophobicContact CB-CE2 3.72Å; F109-F164 HydrophobicContact CB-CZ 3.55Å; F109-F164 HydrophobicContact CG-CZ 4.24Å; P160-F164 HydrophobicContact CB-CE2 4.22Å; P160-F164 HydrophobicContact CB-CZ 3.95Å; P161-F164 HydrophobicContact CG-CD1 3.55Å; P161-F164 HydrophobicContact CG-CD2 4.37Å; P161-F164 HydrophobicContact CG-CE1 3.54Å; P161-F164 HydrophobicContact CG-CE2 4.34Å; P161-F164 HydrophobicContact CG-CG 3.98Å; P161-F164 HydrophobicContact CG-CZ 3.94Å
165	S	90.1	Very high	82.4	Confident	34 Å²	34	99 Å²	99	24%	0.238	51%	0.506	C	S	.	.			trans	-90.1	130.4	171.8	-169.7	0	0	0	0	110.6	D106 Q167	D106-S165 WeakPolarHBondContact OD1-CB 3.42Å; D106-S165 PolarHBondContact OD1-N 3.18Å; S165-Q167 VanDerWaalsContact C-N 3.32Å; S165-Q167 PolarHBondContact OG-N 2.69Å; S165-Q167 PolarHBondContact OG-O 3.31Å
166	R	87.3	Confident	81.2	Confident	244 Å²	244	97.6 Å²	97.6	92%	0.921	50%	0.503	S	S	*	.	S	Bend	trans	-90.2	-0.9	163.2	-62.8	-176.1	-178.7	172.2	1.1	112.3
167	Q	85.3	Confident	79.8	Confident	113 Å²	113	99.1 Å²	99.1	53%	0.528	51%	0.512	S	S	.	.			trans	-107	123.6	178.5	-63.8	-173.4	-16.1	0	0	109.8	S165 S171	S165-Q167 VanDerWaalsContact C-N 3.32Å; S165-Q167 PolarHBondContact OG-N 2.69Å; S165-Q167 PolarHBondContact OG-O 3.31Å; Q167-S171 PolarHBondContact OE1-OG 3.02Å; Q167-S171 VanDerWaalsContact OE1-OG 3.12Å
168	D	83.3	Confident	78.2	Confident	73 Å²	73	103 Å²	103	39%	0.39	52%	0.517	S	S	.	.	S	Bend	trans	-79.8	-21.7	177	-76.6	8.1	0	0	0	112.7	R45 A103 M104	R45-D168 IonicContact CZ-OD2 3.02Å; R45-D168 VanDerWaalsContact CZ-OD2 3.22Å; R45-D168 IonicContact NH1-OD1 2.86Å; R45-D168 IonicContact NH1-OD2 3.32Å; R45-D168 PolarHBondContact NH1-OD2 3.46Å; R45-D168 IonicContact NH2-OD2 3.43Å; R45-D168 PolarHBondContact NH2-OD2 3.46Å; A103-D168 CarbonylContact C-O 3.51Å; A103-D168 WeakPolarHBondContact CA-O 3.17Å; A103-D168 HydrophobicContact CB-CB 3.99Å; M104-D168 PolarHBondContact N-O 3.38Å
169	T	83.1	Confident	76.5	Confident	92 Å²	92	111.1 Å²	111.1	56%	0.564	55%	0.549	S	S	*	.	S	Bend	trans	-122.8	145.8	-178.2	53.7	0	0	0	0	110.6	S171	T169-S171 PolarHBondContact O-N 3.3Å
170	P	81.3	Confident	74.9	Confident	72 Å²	72	106.2 Å²	106.2	47%	0.468	52%	0.52	S	S	.	.			trans	-68.7	133.9	178.3	26.3	-27.7	0	0	0	109.3	M104 F172	M104-P170 HydrophobicContact SD-CB 3.53Å; M104-P170 VanDerWaalsContact SD-CB 3.53Å; M104-P170 WeakPolarHBondContact SD-CD 3.32Å; M104-P170 HydrophobicContact SD-CG 3.74Å; M104-P170 VanDerWaalsContact SD-N 3.43Å; P170-F172 PolarHBondContact O-N 2.88Å
171	S	75.1	Confident	73.5	Confident	77 Å²	77	108.7 Å²	108.7	54%	0.538	53%	0.534	S	S	.	.			trans	-65.2	125.9	170.2	-69.6	0	0	0	0	109.7	Q167 T169 Y173	Q167-S171 PolarHBondContact OE1-OG 3.02Å; Q167-S171 VanDerWaalsContact OE1-OG 3.12Å; T169-S171 PolarHBondContact O-N 3.3Å; S171-Y173 PolarHBondContact O-N 3.31Å
172	F	71	Confident	72.2	Confident	169 Å²	169	110.6 Å²	110.6	74%	0.741	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	36.5	177.3	-62.4	-78.7	0	0	0	113.5	P170 N174	P170-F172 PolarHBondContact O-N 2.88Å; F172-N174 PolarHBondContact O-N 3.14Å
173	Y	69.5	Low	70.8	Confident	107 Å²	107	110 Å²	110	42%	0.42	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-34.4	173.9	-177.4	-114.6	0	0	0	110.3	S171 F175 A176 Y179	S171-Y173 PolarHBondContact O-N 3.31Å; Y173-F175 AromaticContact CD1-CD1 3.9Å; Y173-F175 HydrophobicContact CD1-CD1 3.9Å; Y173-F175 HydrophobicContact CD1-CE1 4.17Å; Y173-F175 HydrophobicContact CD1-CG 4.08Å; Y173-F175 HydrophobicContact CE1-CB 4.4Å; Y173-F175 AromaticContact CE1-CD1 3.56Å; Y173-F175 HydrophobicContact CE1-CD1 3.56Å; Y173-F175 AromaticContact CE1-CE1 3.99Å; Y173-F175 HydrophobicContact CE1-CE1 3.99Å; Y173-F175 HydrophobicContact CE1-CG 4.09Å; Y173-F175 PolarHBondContact O-N 3.2Å; Y173-A176 PolarHBondContact O-N 2.75Å; Y173-Y179 HydrophobicContact CD2-CD2 4.3Å; Y173-Y179 HydrophobicContact CE2-CD2 4.12Å
174	N	62.6	Low	69.4	Low	119 Å²	119	108 Å²	108	64%	0.636	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	14	176.4	-69	-16.1	0	0	0	114.3	F172 A176	F172-N174 PolarHBondContact O-N 3.14Å; N174-A176 HydrophobicContact CB-CB 4.23Å; N174-A176 PolarHBondContact O-N 3.49Å
175	F	61.7	Low	68.1	Low	149 Å²	149	107 Å²	107	65%	0.654	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	44	32.2	-164.3	-63.1	-86.4	0	0	0	112.3	Y173	Y173-F175 AromaticContact CD1-CD1 3.9Å; Y173-F175 HydrophobicContact CD1-CD1 3.9Å; Y173-F175 HydrophobicContact CD1-CE1 4.17Å; Y173-F175 HydrophobicContact CD1-CG 4.08Å; Y173-F175 HydrophobicContact CE1-CB 4.4Å; Y173-F175 AromaticContact CE1-CD1 3.56Å; Y173-F175 HydrophobicContact CE1-CD1 3.56Å; Y173-F175 AromaticContact CE1-CE1 3.99Å; Y173-F175 HydrophobicContact CE1-CE1 3.99Å; Y173-F175 HydrophobicContact CE1-CG 4.09Å; Y173-F175 PolarHBondContact O-N 3.2Å
176	A	55.6	Low	66.9	Low	23 Å²	23	110.3 Å²	110.3	19%	0.19	53%	0.528	C	S	.	.			trans	-72	139	-169.7	0	0	0	0	0	110.4	Y173 N174 R178	Y173-A176 PolarHBondContact O-N 2.75Å; N174-A176 HydrophobicContact CB-CB 4.23Å; N174-A176 PolarHBondContact O-N 3.49Å; A176-R178 PolarHBondContact O-N 2.88Å
177	P	55	Low	65.6	Low	69 Å²	69	102.8 Å²	102.8	45%	0.448	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-61.7	-10.5	-177.7	-19.3	27.4	0	0	0	115.1	Y179 R180 I185	P177-Y179 PolarHBondContact O-N 3.05Å; P177-Y179 VanDerWaalsContact O-N 3.08Å; P177-R180 WeakPolarHBondContact O-CA 3.39Å; P177-R180 WeakPolarHBondContact O-CB 3.38Å; P177-R180 PolarHBondContact O-N 3.23Å; P177-I185 HydrophobicContact CB-CD1 3.71Å; P177-I185 HydrophobicContact CB-CG1 4.06Å
178	R	51.6	Low	64.5	Low	231 Å²	231	100.8 Å²	100.8	87%	0.872	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-64.9	-16.2	-173.9	-57.3	-174.7	-145	-114.1	2.6	113.9	A176	A176-R178 PolarHBondContact O-N 2.88Å
179	Y	52.8	Low	63.6	Low	185 Å²	185	104.8 Å²	104.8	73%	0.725	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-103.5	6.3	172.5	-57.3	-74.9	0	0	0	112.7	Y173 P177	Y173-Y179 HydrophobicContact CD2-CD2 4.3Å; Y173-Y179 HydrophobicContact CE2-CD2 4.12Å; P177-Y179 PolarHBondContact O-N 3.05Å; P177-Y179 VanDerWaalsContact O-N 3.08Å
180	R	56.6	Low	62.7	Low	46 Å²	46	108.9 Å²	108.9	17%	0.174	52%	0.522	C	S	.	.	S	Bend	trans	-109	132.2	-175.1	-62.1	-173.6	-177.9	176.1	-7.8	109.3	P177 Y184 E188	P177-R180 WeakPolarHBondContact O-CA 3.39Å; P177-R180 WeakPolarHBondContact O-CB 3.38Å; P177-R180 PolarHBondContact O-N 3.23Å; R180-Y184 HydrophobicContact CB-CG 4.38Å; R180-E188 IonicContact CZ-OE1 3.33Å; R180-E188 IonicContact CZ-OE2 3.36Å; R180-E188 IonicContact NH1-OE1 2.83Å; R180-E188 PolarHBondContact NH1-OE1 3.43Å; R180-E188 IonicContact NH1-OE2 3.62Å; R180-E188 PolarHBondContact NH1-OE2 2.92Å; R180-E188 IonicContact NH2-OE1 2.93Å
181	T	60.7	Low	61.5	Low	88 Å²	88	107.5 Å²	107.5	54%	0.54	51%	0.514	S	S	.	.			trans	-60.1	153.3	169.6	45.1	0	0	0	0	110.2	E183 Y184	T181-E183 PolarHBondContact O-N 2.9Å; T181-E183 VanDerWaalsContact O-N 3.09Å; T181-Y184 VanDerWaalsContact O-CB 3.32Å; T181-Y184 WeakPolarHBondContact O-CB 3.48Å; T181-Y184 PolarHBondContact O-N 2.83Å
182	T	63.3	Low	60.7	Low	104 Å²	104	113.8 Å²	113.8	64%	0.638	54%	0.535	S	S	*	.	H	α-helix	trans	-54.3	-30.6	177.4	-25.2	0	0	0	0	112.3	Y184 I185 Q186	T182-Y184 VanDerWaalsContact C-N 3.33Å; T182-Y184 PolarHBondContact O-N 3.49Å; T182-I185 PolarHBondContact O-N 3.37Å; T182-Q186 WeakPolarHBondContact O-CG 3.43Å; T182-Q186 PolarHBondContact O-N 3.28Å
183	E	60.1	Low	59.9	Low	120 Å²	120	114 Å²	114	56%	0.561	54%	0.535	S	S	*	.	H	α-helix	trans	-58	-40.8	171.4	-85.6	-171.4	146.7	0	0	112.9	T181 Q186 L187	T181-E183 PolarHBondContact O-N 2.9Å; T181-E183 VanDerWaalsContact O-N 3.09Å; E183-Q186 PolarHBondContact O-N 3.14Å; E183-L187 WeakPolarHBondContact O-CB 3.26Å; E183-L187 PolarHBondContact O-N 3.06Å
184	Y	60.7	Low	59.1	Low	71 Å²	71	116.8 Å²	116.8	28%	0.278	56%	0.557	S	S	.	*	H	α-helix	trans	-66.6	-40.6	-176.6	-123.8	-84.8	0	0	0	111.9	R180 T181 T182 L187 E188 V196	R180-Y184 HydrophobicContact CB-CG 4.38Å; T181-Y184 VanDerWaalsContact O-CB 3.32Å; T181-Y184 WeakPolarHBondContact O-CB 3.48Å; T181-Y184 PolarHBondContact O-N 2.83Å; T182-Y184 VanDerWaalsContact C-N 3.33Å; T182-Y184 PolarHBondContact O-N 3.49Å; Y184-L187 PolarHBondContact O-N 2.95Å; Y184-E188 PolarHBondContact O-N 3.03Å; Y184-E188 VanDerWaalsContact O-N 3.1Å; Y184-V196 HydrophobicContact CD1-CG2 4.39Å; Y184-V196 HydrophobicContact CD2-CG2 4.4Å; Y184-V196 HydrophobicContact CE1-CB 4.19Å; Y184-V196 HydrophobicContact CE1-CG2 3.77Å; Y184-V196 HydrophobicContact CE2-CB 4.19Å; Y184-V196 HydrophobicContact CE2-CG1 4.03Å; Y184-V196 HydrophobicContact CE2-CG2 3.78Å; Y184-V196 VanDerWaalsContact CZ-CG2 3.44Å; Y184-V196 WeakPolarHBondContact OH-CB 3.48Å; Y184-V196 VanDerWaalsContact OH-CG1 3.28Å; Y184-V196 WeakPolarHBondContact OH-CG1 3.41Å
185	I	64.2	Low	58.2	Low	60 Å²	60	112.1 Å²	112.1	31%	0.308	53%	0.533	S	S	.	.	H	α-helix	trans	-63.9	-46.7	178.3	-59.2	175.6	0	0	0	109.5	P177 T182 L187 E188 E189	P177-I185 HydrophobicContact CB-CD1 3.71Å; P177-I185 HydrophobicContact CB-CG1 4.06Å; T182-I185 PolarHBondContact O-N 3.37Å; I185-L187 VanDerWaalsContact C-N 3.27Å; I185-L187 PolarHBondContact O-N 2.75Å; I185-E188 PolarHBondContact O-N 3.24Å; I185-E189 WeakPolarHBondContact O-CG 3.26Å; I185-E189 PolarHBondContact O-N 2.84Å; I185-E189 VanDerWaalsContact O-N 3.09Å
186	Q	63.4	Low	57.8	Low	105 Å²	105	107.8 Å²	107.8	49%	0.491	52%	0.518	S	S	.	.	H	α-helix	trans	-65.3	-28.4	178.7	-68.4	178.5	2.2	0	0	113.5	T182 E183 K190	T182-Q186 WeakPolarHBondContact O-CG 3.43Å; T182-Q186 PolarHBondContact O-N 3.28Å; E183-Q186 PolarHBondContact O-N 3.14Å; Q186-K190 WeakPolarHBondContact O-CG 3.19Å; Q186-K190 PolarHBondContact O-N 2.94Å
187	L	60.4	Low	57.7	Low	85 Å²	85	112.3 Å²	112.3	45%	0.445	55%	0.549	S	S	.	.	H	α-helix	trans	-76.5	-39.4	177.6	-94.4	152.3	0	0	0	112.5	E183 Y184 I185 K190 S191 P195	E183-L187 WeakPolarHBondContact O-CB 3.26Å; E183-L187 PolarHBondContact O-N 3.06Å; Y184-L187 PolarHBondContact O-N 2.95Å; I185-L187 VanDerWaalsContact C-N 3.27Å; I185-L187 PolarHBondContact O-N 2.75Å; L187-K190 PolarHBondContact O-N 3.45Å; L187-S191 PolarHBondContact O-N 3.48Å; L187-P195 HydrophobicContact CB-CB 4.08Å; L187-P195 HydrophobicContact CB-CG 4.1Å; L187-P195 HydrophobicContact CD2-CB 4.3Å
188	E	61.8	Low	57.7	Low	72 Å²	72	119.4 Å²	119.4	34%	0.336	57%	0.566	S	S	.	*	H	α-helix	trans	-66.4	-40.9	173.3	-84.8	-178.4	157.5	0	0	111.7	R180 Y184 I185 K190 S191 P195	R180-E188 IonicContact CZ-OE1 3.33Å; R180-E188 IonicContact CZ-OE2 3.36Å; R180-E188 IonicContact NH1-OE1 2.83Å; R180-E188 PolarHBondContact NH1-OE1 3.43Å; R180-E188 IonicContact NH1-OE2 3.62Å; R180-E188 PolarHBondContact NH1-OE2 2.92Å; R180-E188 IonicContact NH2-OE1 2.93Å; Y184-E188 PolarHBondContact O-N 3.03Å; Y184-E188 VanDerWaalsContact O-N 3.1Å; I185-E188 PolarHBondContact O-N 3.24Å; E188-K190 PolarHBondContact O-N 3.11Å; E188-S191 CarbonylContact O-C 3.53Å; E188-S191 PolarHBondContact O-N 3.49Å; E188-S191 VanDerWaalsContact O-N 3.14Å; E188-S191 VanDerWaalsContact O-O 3.12Å; E188-P195 HydrophobicContact CB-CG 4.5Å; E188-P195 HydrophobicContact CG-CG 3.73Å
189	E	65.1	Low	58.1	Low	156 Å²	156	116.2 Å²	116.2	73%	0.729	56%	0.559	S	S	*	*	H	α-helix	trans	-61	-27.7	177.4	-76.1	179.3	168.1	0	0	112.9	I185	I185-E189 WeakPolarHBondContact O-CG 3.26Å; I185-E189 PolarHBondContact O-N 2.84Å; I185-E189 VanDerWaalsContact O-N 3.09Å
190	K	64.6	Low	58.8	Low	179 Å²	179	112 Å²	112	78%	0.778	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-10.8	179.6	-71.9	178.6	-177.9	177.3	0	113.9	Q186 L187 E188	Q186-K190 WeakPolarHBondContact O-CG 3.19Å; Q186-K190 PolarHBondContact O-N 2.94Å; L187-K190 PolarHBondContact O-N 3.45Å; E188-K190 PolarHBondContact O-N 3.11Å
191	S	56.6	Low	59.5	Low	43 Å²	43	119.1 Å²	119.1	30%	0.301	59%	0.589	S	S	.	*			trans	-156.2	120.5	-172.3	169.8	0	0	0	0	113	L187 E188 K193	L187-S191 PolarHBondContact O-N 3.48Å; E188-S191 CarbonylContact O-C 3.53Å; E188-S191 PolarHBondContact O-N 3.49Å; E188-S191 VanDerWaalsContact O-N 3.14Å; E188-S191 VanDerWaalsContact O-O 3.12Å; S191-K193 PolarHBondContact O-N 2.94Å; S191-K193 WeakPolarHBondContact OG-CA 3.16Å; S191-K193 VanDerWaalsContact OG-CB 3.32Å; S191-K193 WeakPolarHBondContact OG-CB 3.42Å; S191-K193 PolarHBondContact OG-N 3.49Å; S191-K193 PolarHBondContact OG-O 3.23Å
192	H	57.7	Low	59.9	Low	208 Å²	208	118.3 Å²	118.3	96%	0.963	59%	0.586	S	S	*	*	S	Bend	trans	-69.4	-7.1	166.2	-66.8	-61.9	0	0	0	114	L194	H192-L194 PolarHBondContact O-N 3.03Å
193	K	54.3	Low	60.7	Low	173 Å²	173	115.2 Å²	115.2	75%	0.752	57%	0.566	S	S	*	*	S	Bend	trans	-79.2	117.5	165.8	-56.7	179.1	178.1	-179.9	0	106.2	S191 P195	S191-K193 PolarHBondContact O-N 2.94Å; S191-K193 WeakPolarHBondContact OG-CA 3.16Å; S191-K193 VanDerWaalsContact OG-CB 3.32Å; S191-K193 WeakPolarHBondContact OG-CB 3.42Å; S191-K193 PolarHBondContact OG-N 3.49Å; S191-K193 PolarHBondContact OG-O 3.23Å; K193-P195 WeakPolarHBondContact O-CD 3.29Å
194	L	52.6	Low	61.9	Low	166 Å²	166	112 Å²	112	87%	0.869	55%	0.551	S	S	*	*			trans	-33.1	101.8	167.7	-87.2	146.3	0	0	0	108.5	H192	H192-L194 PolarHBondContact O-N 3.03Å
195	P	43.9	Very low	63.3	Low	21 Å²	21	109.3 Å²	109.3	14%	0.136	54%	0.544	C	S	.	.			trans	-72.8	151.5	177.6	30.4	-28.9	0	0	0	105.4	L187 E188 K193	L187-P195 HydrophobicContact CB-CB 4.08Å; L187-P195 HydrophobicContact CB-CG 4.1Å; L187-P195 HydrophobicContact CD2-CB 4.3Å; E188-P195 HydrophobicContact CB-CG 4.5Å; E188-P195 HydrophobicContact CG-CG 3.73Å; K193-P195 WeakPolarHBondContact O-CD 3.29Å
196	V	52.5	Low	64.6	Low	58 Å²	58	109.8 Å²	109.8	35%	0.352	54%	0.543	S	S	.	.			trans	84	72.8	167.6	-156	0	0	0	0	113.6	Y184 R198	Y184-V196 HydrophobicContact CD1-CG2 4.39Å; Y184-V196 HydrophobicContact CD2-CG2 4.4Å; Y184-V196 HydrophobicContact CE1-CB 4.19Å; Y184-V196 HydrophobicContact CE1-CG2 3.77Å; Y184-V196 HydrophobicContact CE2-CB 4.19Å; Y184-V196 HydrophobicContact CE2-CG1 4.03Å; Y184-V196 HydrophobicContact CE2-CG2 3.78Å; Y184-V196 VanDerWaalsContact CZ-CG2 3.44Å; Y184-V196 WeakPolarHBondContact OH-CB 3.48Å; Y184-V196 VanDerWaalsContact OH-CG1 3.28Å; Y184-V196 WeakPolarHBondContact OH-CG1 3.41Å; V196-R198 PolarHBondContact O-N 3.39Å
197	S	53.9	Low	66	Low	118 Å²	118	107.2 Å²	107.2	83%	0.825	53%	0.532	S	S	*	.	S	Bend		-49	119.7	125.3	178.7	0	0	0	0	106.2	K199	S197-K199 PolarHBondContact O-N 2.88Å; S197-K199 VanDerWaalsContact O-N 3.14Å
198	R	55	Low	67.6	Low	218 Å²	218	103.3 Å²	103.3	82%	0.823	51%	0.512	S	S	*	.			trans	-43.4	126.9	178.4	-74.7	177.6	174.1	176.3	-3.4	107.4	V196 A200	V196-R198 PolarHBondContact O-N 3.39Å; R198-A200 PolarHBondContact O-N 3.36Å
199	K	60.9	Low	69.1	Low	165 Å²	165	102.3 Å²	102.3	72%	0.717	51%	0.508	S	S	*	.			trans	-45.7	116.5	177.1	-79.6	-178.1	-179	169.9	0	107.4	S197 R201	S197-K199 PolarHBondContact O-N 2.88Å; S197-K199 VanDerWaalsContact O-N 3.14Å; K199-R201 PolarHBondContact O-N 3.39Å; K199-R201 VanDerWaalsContact O-N 3.15Å
200	A	66.1	Low	70.2	Confident	96 Å²	96	96.2 Å²	96.2	79%	0.793	48%	0.481	S	S	*	.			trans	-53.7	125.2	-177.1	0	0	0	0	0	108.3	R198 P202	R198-A200 PolarHBondContact O-N 3.36Å; A200-P202 WeakPolarHBondContact O-CD 3.3Å
201	R	71.5	Confident	71.4	Confident	195 Å²	195	94.9 Å²	94.9	74%	0.736	48%	0.482	S	S	*	.			trans	-97.7	94.8	177.5	-66.5	-177.9	-175.7	-175.6	1.1	106.4	K199 T203	K199-R201 PolarHBondContact O-N 3.39Å; K199-R201 VanDerWaalsContact O-N 3.15Å; R201-T203 PolarHBondContact O-N 2.79Å; R201-T203 VanDerWaalsContact O-N 3.14Å
202	P	70.4	Confident	73.1	Confident	72 Å²	72	95.9 Å²	95.9	47%	0.468	48%	0.484	S	S	.	.			trans	-58.9	125.9	-176.5	22.9	-31.9	0	0	0	108.8	A200 F204 R225	A200-P202 WeakPolarHBondContact O-CD 3.3Å; P202-F204 HydrophobicContact CB-CD1 4.49Å; P202-F204 HydrophobicContact CB-CE1 3.93Å; P202-F204 HydrophobicContact CB-CZ 4.21Å; P202-F204 HydrophobicContact CG-CE1 4.29Å; P202-F204 HydrophobicContact CG-CZ 4.07Å; P202-R225 PolarHBondContact O-NH1 2.92Å; P202-R225 PolarHBondContact O-NH2 2.93Å
203	T	78.3	Confident	74.8	Confident	38 Å²	38	92.3 Å²	92.3	23%	0.233	48%	0.477	C	S	.	.			trans	-92.1	125.4	168.3	55.9	0	0	0	0	107.2	R201 T384	R201-T203 PolarHBondContact O-N 2.79Å; R201-T203 VanDerWaalsContact O-N 3.14Å; T203-T384 VanDerWaalsContact CG2-O 3.28Å; T203-T384 WeakPolarHBondContact CG2-O 3.5Å; T203-T384 WeakPolarHBondContact OG1-CB 3.17Å; T203-T384 PolarHBondContact OG1-O 3.23Å
204	F	86.8	Confident	76.6	Confident	54 Å²	54	85 Å²	85	24%	0.237	45%	0.447	C	S	.	.			trans	-95.8	1.3	-177.6	-61	-52.1	0	0	0	112.9	P202 R219 G221 A222 R225	P202-F204 HydrophobicContact CB-CD1 4.49Å; P202-F204 HydrophobicContact CB-CE1 3.93Å; P202-F204 HydrophobicContact CB-CZ 4.21Å; P202-F204 HydrophobicContact CG-CE1 4.29Å; P202-F204 HydrophobicContact CG-CZ 4.07Å; F204-R219 WeakPolarHBondContact O-CD 3.44Å; F204-G221 WeakPolarHBondContact CD2-O 3.46Å; F204-G221 VanDerWaalsContact CE2-C 3.48Å; F204-G221 WeakPolarHBondContact CE2-O 3.14Å; F204-G221 VanDerWaalsContact CG-C 3.49Å; F204-A222 HydrophobicContact CB-CB 3.64Å; F204-R225 HydrophobicContact CD2-CB 4.16Å; F204-R225 VanDerWaalsContact CD2-NE 3.31Å; F204-R225 HydrophobicContact CE2-CB 4.14Å; F204-R225 VanDerWaalsContact CE2-NE 3.28Å
205	G	89.2	Confident	78.7	Confident	13 Å²	13	77.8 Å²	77.8	13%	0.134	41%	0.41	C	S	.	.	S	Bend	trans	-81.7	151.5	179.1	0	0	0	0	0	111.9
206	Y	92.5	Very high	81.1	Confident	71 Å²	71	82.1 Å²	82.1	28%	0.278	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-85.4	127.8	165.7	-71.1	-87.4	0	0	0	109.3	P215 S217 R219 Y278 Y291	Y206-P215 HydrophobicContact CD1-CB 4.19Å; Y206-P215 HydrophobicContact CD1-CG 3.77Å; Y206-P215 HydrophobicContact CD2-CB 3.8Å; Y206-P215 HydrophobicContact CD2-CG 3.99Å; Y206-P215 HydrophobicContact CE1-CB 4.43Å; Y206-P215 HydrophobicContact CE1-CG 4.41Å; Y206-P215 HydrophobicContact CE2-CB 4.04Å; Y206-P215 HydrophobicContact CG-CB 3.86Å; Y206-P215 HydrophobicContact CG-CG 3.53Å; Y206-S217 WeakPolarHBondContact CE2-O 3.03Å; Y206-R219 HydrophobicContact CD2-CG 4.29Å; Y206-R219 HydrophobicContact CE1-CG 4.49Å; Y206-R219 HydrophobicContact CE2-CG 3.54Å; Y206-Y278 PolarHBondContact O-N 2.74Å; Y206-Y291 AromaticContact CD2-CE1 3.73Å; Y206-Y291 HydrophobicContact CD2-CE1 3.73Å; Y206-Y291 HydrophobicContact CE2-CE1 4.25Å
207	L	92.6	Very high	83.1	Confident	51 Å²	51	82.4 Å²	82.4	27%	0.267	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.4	168.6	-53.8	176.8	0	0	0	106.7	Y278 I280 Q383	L207-Y278 WeakPolarHBondContact CA-O 3.24Å; L207-Y278 HydrophobicContact CD2-CD1 3.86Å; L207-Y278 HydrophobicContact CD2-CG 4.38Å; L207-I280 HydrophobicContact CB-CD1 3.62Å; L207-I280 HydrophobicContact CB-CG1 3.86Å; L207-Q383 WeakPolarHBondContact CD1-O 2.96Å
208	V	93.1	Very high	85.1	Confident	3 Å²	3	78.2 Å²	78.2	2%	0.018	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.8	-167.2	-177.5	0	0	0	0	109.1	D212 P215 Y277 Y278 M279 I280	V208-D212 HydrophobicContact CG1-CB 3.82Å; V208-P215 HydrophobicContact CG2-CG 3.81Å; V208-Y277 HydrophobicContact CB-CD2 3.79Å; V208-Y277 HydrophobicContact CB-CE2 4.01Å; V208-Y277 HydrophobicContact CG1-CD2 4.34Å; V208-Y277 HydrophobicContact CG1-CE2 4.11Å; V208-Y277 HydrophobicContact CG2-CD2 3.43Å; V208-Y277 VanDerWaalsContact CG2-CD2 3.43Å; V208-Y277 HydrophobicContact CG2-CE2 4.03Å; V208-Y277 HydrophobicContact CG2-CG 4.1Å; V208-Y278 PolarHBondContact N-O 3.43Å; V208-M279 WeakPolarHBondContact O-CA 3.18Å; V208-I280 PolarHBondContact O-N 3.28Å
209	N	92.8	Very high	86.9	Confident	50 Å²	50	72.4 Å²	72.4	27%	0.267	39%	0.388	S	S	.	.			trans	-88.5	172.8	169.2	-60.5	-73	0	0	0	111.1	D211 D212	N209-D211 PolarHBondContact O-N 3.29Å; N209-D212 VanDerWaalsContact CB-OD2 3.28Å; N209-D212 WeakPolarHBondContact CB-OD2 3.5Å; N209-D212 PolarHBondContact N-OD2 2.89Å; N209-D212 PolarHBondContact ND2-OD2 3.09Å; N209-D212 PolarHBondContact O-N 3.31Å
210	L	88.6	Confident	88.4	Confident	29 Å²	29	69.7 Å²	69.7	15%	0.152	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.7	-176.3	-168.9	66.7	0	0	0	113.4	R296 I446 P448	L210-R296 HydrophobicContact CD1-CG 3.99Å; L210-R296 WeakPolarHBondContact O-CD 3.43Å; L210-R296 PolarHBondContact O-NH1 3.01Å; L210-I446 HydrophobicContact CD1-CD1 4.15Å; L210-P448 HydrophobicContact CD2-CB 3.84Å
211	D	89.7	Confident	89.6	Confident	150 Å²	150	66 Å²	66	80%	0.802	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-8.1	-178.3	-53.7	-49.2	0	0	0	113.3	N209	N209-D211 PolarHBondContact O-N 3.29Å
212	D	92	Very high	90.6	Very high	64 Å²	64	56.8 Å²	56.8	34%	0.342	33%	0.325	S	S	.	.	S	Bend	trans	-76.1	155.3	-174.9	-70.5	-29.5	0	0	0	112	V208 N209 T214 R296	V208-D212 HydrophobicContact CG1-CB 3.82Å; N209-D212 VanDerWaalsContact CB-OD2 3.28Å; N209-D212 WeakPolarHBondContact CB-OD2 3.5Å; N209-D212 PolarHBondContact N-OD2 2.89Å; N209-D212 PolarHBondContact ND2-OD2 3.09Å; N209-D212 PolarHBondContact O-N 3.31Å; D212-T214 PolarHBondContact O-N 3.45Å; D212-R296 VanDerWaalsContact O-CZ 3.3Å; D212-R296 PolarHBondContact O-NH1 3.42Å; D212-R296 PolarHBondContact O-NH2 3.02Å
213	V	93.4	Very high	91.6	Very high	133 Å²	133	56.8 Å²	56.8	81%	0.806	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-69.3	130.7	176.9	-178.9	0	0	0	0	110.4	P215	V213-P215 VanDerWaalsContact O-CD 3.31Å; V213-P215 WeakPolarHBondContact O-CD 3.14Å
214	T	93.9	Very high	92.2	Very high	21 Å²	21	59.5 Å²	59.5	13%	0.129	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-66.1	122.8	178.5	-62.1	0	0	0	0	111.4	D212 Y277 Y293 D294 R296	D212-T214 PolarHBondContact O-N 3.45Å; T214-Y277 HydrophobicContact CG2-CE1 3.72Å; T214-Y293 WeakPolarHBondContact CG2-O 3.3Å; T214-D294 HydrophobicContact CG2-CB 4.2Å; T214-D294 PolarHBondContact OG1-OD2 2.96Å; T214-D294 VanDerWaalsContact OG1-OD2 3.13Å; T214-R296 PolarHBondContact OG1-NH2 3.46Å
215	P	95.4	Very high	92.3	Very high	14 Å²	14	59.7 Å²	59.7	9%	0.091	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-68	133.9	175.3	-18.2	31.5	0	0	0	111.8	Y206 V208 V213 Y277 Y291 G292	Y206-P215 HydrophobicContact CD1-CB 4.19Å; Y206-P215 HydrophobicContact CD1-CG 3.77Å; Y206-P215 HydrophobicContact CD2-CB 3.8Å; Y206-P215 HydrophobicContact CD2-CG 3.99Å; Y206-P215 HydrophobicContact CE1-CB 4.43Å; Y206-P215 HydrophobicContact CE1-CG 4.41Å; Y206-P215 HydrophobicContact CE2-CB 4.04Å; Y206-P215 HydrophobicContact CG-CB 3.86Å; Y206-P215 HydrophobicContact CG-CG 3.53Å; V208-P215 HydrophobicContact CG2-CG 3.81Å; V213-P215 VanDerWaalsContact O-CD 3.31Å; V213-P215 WeakPolarHBondContact O-CD 3.14Å; P215-Y277 HydrophobicContact CG-CD1 4.44Å; P215-Y277 HydrophobicContact CG-CG 4.2Å; P215-Y291 HydrophobicContact CB-CD1 3.89Å; P215-Y291 HydrophobicContact CB-CE1 3.87Å; P215-G292 PolarHBondContact O-N 2.89Å
216	T	95	Very high	92.3	Very high	112 Å²	112	59.2 Å²	59.2	69%	0.687	32%	0.324	S	S	*	.	S	Bend	trans	-95.1	-16.4	179.6	53.1	0	0	0	0	113.6
217	S	94.6	Very high	92.2	Very high	64 Å²	64	60.1 Å²	60.1	45%	0.448	33%	0.332	S	S	.	.	S	Bend	trans	-152.4	155	-179	56.5	0	0	0	0	111.6	Y206	Y206-S217 WeakPolarHBondContact CE2-O 3.03Å
218	P	95	Very high	92.1	Very high	29 Å²	29	63.3 Å²	63.3	19%	0.188	35%	0.35	C	S	.	.			trans	-68.6	155	175.8	28.3	-36	0	0	0	112.4	A222 I223 S274 Y291	P218-A222 HydrophobicContact CB-CB 4.47Å; P218-I223 HydrophobicContact CB-CG1 4.42Å; P218-I223 HydrophobicContact CG-CD1 3.97Å; P218-I223 HydrophobicContact CG-CG1 3.98Å; P218-S274 WeakPolarHBondContact CG-O 3.48Å; P218-Y291 HydrophobicContact CB-CD2 4.17Å; P218-Y291 HydrophobicContact CB-CE2 3.51Å; P218-Y291 HydrophobicContact CG-CD2 4.37Å; P218-Y291 HydrophobicContact CG-CE2 4.17Å
219	R	93.3	Very high	91.8	Very high	96 Å²	96	65.5 Å²	65.5	36%	0.362	36%	0.361	S	S	.	.			trans	-63.9	141.9	169.2	-61.6	-174.1	180	-175.5	-2.8	109.8	F204 Y206 G221 A222	F204-R219 WeakPolarHBondContact O-CD 3.44Å; Y206-R219 HydrophobicContact CD2-CG 4.29Å; Y206-R219 HydrophobicContact CE1-CG 4.49Å; Y206-R219 HydrophobicContact CE2-CG 3.54Å; R219-G221 PolarHBondContact O-N 2.94Å; R219-G221 VanDerWaalsContact O-N 3.1Å; R219-A222 WeakPolarHBondContact O-CB 3.44Å; R219-A222 PolarHBondContact O-N 3.03Å
220	P	92.8	Very high	91.6	Very high	108 Å²	108	64.6 Å²	64.6	70%	0.701	36%	0.364	S	S	*	.	H	α-helix	trans	-54.4	-35	178.8	-28	34.8	0	0	0	113.6	A222 I223 Q224	P220-A222 VanDerWaalsContact C-N 3.29Å; P220-A222 PolarHBondContact O-N 2.93Å; P220-I223 PolarHBondContact O-N 2.63Å; P220-Q224 PolarHBondContact O-N 2.94Å
221	G	91.8	Very high	91.6	Very high	20 Å²	20	70 Å²	70	21%	0.206	39%	0.392	C	S	.	.	H	α-helix	trans	-61.7	-32.7	176	0	0	0	0	0	113.8	F204 R219 R225	F204-G221 WeakPolarHBondContact CD2-O 3.46Å; F204-G221 VanDerWaalsContact CE2-C 3.48Å; F204-G221 WeakPolarHBondContact CE2-O 3.14Å; F204-G221 VanDerWaalsContact CG-C 3.49Å; R219-G221 PolarHBondContact O-N 2.94Å; R219-G221 VanDerWaalsContact O-N 3.1Å; G221-R225 WeakPolarHBondContact O-CB 3.42Å; G221-R225 PolarHBondContact O-N 2.88Å
222	A	91.2	Very high	91.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-66.3	-43.7	176.4	0	0	0	0	0	111	F204 P218 R219 P220 R225 V226 P273	F204-A222 HydrophobicContact CB-CB 3.64Å; P218-A222 HydrophobicContact CB-CB 4.47Å; R219-A222 WeakPolarHBondContact O-CB 3.44Å; R219-A222 PolarHBondContact O-N 3.03Å; P220-A222 VanDerWaalsContact C-N 3.29Å; P220-A222 PolarHBondContact O-N 2.93Å; A222-R225 WeakPolarHBondContact O-CB 3.22Å; A222-R225 PolarHBondContact O-N 2.85Å; A222-V226 PolarHBondContact O-N 3.15Å; A222-P273 HydrophobicContact CB-CB 3.91Å
223	I	91.9	Very high	91.3	Very high	72 Å²	72	63 Å²	63	37%	0.369	36%	0.36	S	S	.	.	H	α-helix	trans	-63.1	-48.2	177	-56.3	175.5	0	0	0	110	P218 P220 R225 V226 I227	P218-I223 HydrophobicContact CB-CG1 4.42Å; P218-I223 HydrophobicContact CG-CD1 3.97Å; P218-I223 HydrophobicContact CG-CG1 3.98Å; P220-I223 PolarHBondContact O-N 2.63Å; I223-R225 PolarHBondContact O-N 3.46Å; I223-V226 PolarHBondContact O-N 2.9Å; I223-V226 VanDerWaalsContact O-N 3.11Å; I223-I227 HydrophobicContact CG2-CD1 4.15Å; I223-I227 WeakPolarHBondContact O-CG1 3.34Å; I223-I227 PolarHBondContact O-N 2.85Å; I223-I227 VanDerWaalsContact O-N 3.13Å
224	Q	91.2	Very high	91.1	Very high	96 Å²	96	59.7 Å²	59.7	45%	0.449	34%	0.337	S	S	.	.	H	α-helix	trans	-60.3	-36.3	179.6	-170.3	60.4	48.5	0	0	112	P220 V226 I227 N228	P220-Q224 PolarHBondContact O-N 2.94Å; Q224-V226 VanDerWaalsContact C-N 3.35Å; Q224-V226 PolarHBondContact O-N 2.99Å; Q224-I227 PolarHBondContact O-N 3.27Å; Q224-N228 PolarHBondContact NE2-OD1 2.97Å; Q224-N228 WeakPolarHBondContact O-CB 3.43Å; Q224-N228 PolarHBondContact O-N 3.18Å; Q224-N228 PolarHBondContact O-OD1 3.17Å
225	R	89.3	Confident	91	Very high	57 Å²	57	65 Å²	65	22%	0.215	36%	0.36	C	S	.	.	H	α-helix	trans	-61.5	-42	176.3	-175.9	174.6	-68.3	-177.4	-1.3	112.1	P202 F204 G221 A222 I223 N228 L229 Q270	P202-R225 PolarHBondContact O-NH1 2.92Å; P202-R225 PolarHBondContact O-NH2 2.93Å; F204-R225 HydrophobicContact CD2-CB 4.16Å; F204-R225 VanDerWaalsContact CD2-NE 3.31Å; F204-R225 HydrophobicContact CE2-CB 4.14Å; F204-R225 VanDerWaalsContact CE2-NE 3.28Å; G221-R225 WeakPolarHBondContact O-CB 3.42Å; G221-R225 PolarHBondContact O-N 2.88Å; A222-R225 WeakPolarHBondContact O-CB 3.22Å; A222-R225 PolarHBondContact O-N 2.85Å; I223-R225 PolarHBondContact O-N 3.46Å; R225-N228 PolarHBondContact O-N 3.25Å; R225-L229 PolarHBondContact O-N 3.16Å; R225-Q270 HydrophobicContact CG-CB 4.07Å; R225-Q270 HydrophobicContact CG-CG 4.31Å; R225-Q270 VanDerWaalsContact CG-OE1 3.26Å
226	V	89.4	Confident	90.8	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.024	36%	0.362	C	S	.	.	H	α-helix	trans	-65.3	-41.8	176.3	-179.1	0	0	0	0	111.2	A222 I223 Q224 N228 L229 A233 I234 K237 I271	A222-V226 PolarHBondContact O-N 3.15Å; I223-V226 PolarHBondContact O-N 2.9Å; I223-V226 VanDerWaalsContact O-N 3.11Å; Q224-V226 VanDerWaalsContact C-N 3.35Å; Q224-V226 PolarHBondContact O-N 2.99Å; V226-N228 VanDerWaalsContact C-N 3.29Å; V226-N228 PolarHBondContact O-N 3.43Å; V226-L229 WeakPolarHBondContact O-CB 3.46Å; V226-L229 PolarHBondContact O-N 3.33Å; V226-A233 HydrophobicContact CG1-CB 4.29Å; V226-I234 HydrophobicContact CG1-CG1 4.41Å; V226-K237 HydrophobicContact CG1-CB 4.22Å; V226-K237 HydrophobicContact CG1-CD 4.03Å; V226-I271 HydrophobicContact CG1-CG1 4.34Å; V226-I271 HydrophobicContact CG2-CB 4.29Å; V226-I271 HydrophobicContact CG2-CG1 4.01Å; V226-I271 HydrophobicContact CG2-CG2 4.46Å
227	I	90.5	Very high	90.7	Very high	89 Å²	89	62.5 Å²	62.5	46%	0.456	34%	0.34	S	S	.	.	H	α-helix	trans	-59.1	-43.8	176.1	-64.2	169.5	0	0	0	110.5	I223 Q224 L229 G230	I223-I227 HydrophobicContact CG2-CD1 4.15Å; I223-I227 WeakPolarHBondContact O-CG1 3.34Å; I223-I227 PolarHBondContact O-N 2.85Å; I223-I227 VanDerWaalsContact O-N 3.13Å; Q224-I227 PolarHBondContact O-N 3.27Å; I227-L229 PolarHBondContact O-N 3.49Å; I227-G230 PolarHBondContact O-N 3.27Å; I227-G230 VanDerWaalsContact O-N 3.14Å
228	N	89	Confident	90.7	Very high	118 Å²	118	63.2 Å²	63.2	63%	0.631	34%	0.339	S	S	*	.	H	α-helix	trans	-67.2	-20.3	-179.2	-66.7	-4.5	0	0	0	113.8	Q224 R225 V226 G230	Q224-N228 PolarHBondContact NE2-OD1 2.97Å; Q224-N228 WeakPolarHBondContact O-CB 3.43Å; Q224-N228 PolarHBondContact O-N 3.18Å; Q224-N228 PolarHBondContact O-OD1 3.17Å; R225-N228 PolarHBondContact O-N 3.25Å; V226-N228 VanDerWaalsContact C-N 3.29Å; V226-N228 PolarHBondContact O-N 3.43Å; N228-G230 VanDerWaalsContact C-N 3.28Å
229	L	87	Confident	90.6	Very high	49 Å²	49	66.1 Å²	66.1	26%	0.257	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-14	175.2	-76.5	172.7	0	0	0	113.4	R225 V226 I227 A233 Y267 Q270	R225-L229 PolarHBondContact O-N 3.16Å; V226-L229 WeakPolarHBondContact O-CB 3.46Å; V226-L229 PolarHBondContact O-N 3.33Å; I227-L229 PolarHBondContact O-N 3.49Å; L229-A233 HydrophobicContact CB-CB 3.42Å; L229-A233 VanDerWaalsContact CB-CB 3.42Å; L229-A233 HydrophobicContact CD1-CB 3.97Å; L229-A233 HydrophobicContact CG-CB 4.38Å; L229-Y267 HydrophobicContact CD1-CD1 4.11Å; L229-Y267 HydrophobicContact CD1-CE1 4.42Å; L229-Q270 HydrophobicContact CD1-CB 3.71Å; L229-Q270 HydrophobicContact CD1-CG 4.36Å; L229-Q270 VanDerWaalsContact CD1-OE1 3.26Å; L229-Q270 VanDerWaalsContact CG-OE1 3.29Å
230	G	88.5	Confident	90.6	Very high	32 Å²	32	61.6 Å²	61.6	33%	0.33	33%	0.333	S	S	.	.			trans	93.1	179.2	178.6	0	0	0	0	0	114.6	I227 N228 S232 A233	I227-G230 PolarHBondContact O-N 3.27Å; I227-G230 VanDerWaalsContact O-N 3.14Å; N228-G230 VanDerWaalsContact C-N 3.28Å; G230-S232 VanDerWaalsContact C-N 3.34Å; G230-S232 PolarHBondContact O-N 2.79Å; G230-A233 WeakPolarHBondContact O-CB 3.1Å; G230-A233 PolarHBondContact O-N 2.81Å; G230-A233 VanDerWaalsContact O-N 3.09Å
231	L	87.9	Confident	90.7	Very high	142 Å²	142	59.1 Å²	59.1	74%	0.743	31%	0.312	S	S	*	.	H	α-helix	trans	-58.7	-38.1	-168.3	-65	174.4	0	0	0	114	A233 I234 Q235	L231-A233 VanDerWaalsContact C-N 3.27Å; L231-A233 PolarHBondContact O-N 3.33Å; L231-I234 HydrophobicContact CD2-CD1 4.44Å; L231-I234 WeakPolarHBondContact O-CB 3.38Å; L231-I234 PolarHBondContact O-N 3.32Å; L231-I234 VanDerWaalsContact O-N 3.14Å; L231-Q235 PolarHBondContact O-N 2.98Å
232	S	86.6	Confident	90.9	Very high	68 Å²	68	63.4 Å²	63.4	48%	0.476	33%	0.325	S	S	.	.	H	α-helix	trans	-62.8	-33.9	178.9	-54.8	0	0	0	0	112.7	G230 I234 Q235 V236	G230-S232 VanDerWaalsContact C-N 3.34Å; G230-S232 PolarHBondContact O-N 2.79Å; S232-I234 VanDerWaalsContact C-N 3.32Å; S232-Q235 PolarHBondContact O-N 3.18Å; S232-V236 WeakPolarHBondContact O-CG2 3.32Å; S232-V236 PolarHBondContact O-N 3.31Å; S232-V236 VanDerWaalsContact O-N 3.13Å
233	A	88.8	Confident	91.1	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-71	-30.6	177.1	0	0	0	0	0	111.9	V226 L229 G230 L231 V236 K237 Y267 I271	V226-A233 HydrophobicContact CG1-CB 4.29Å; L229-A233 HydrophobicContact CB-CB 3.42Å; L229-A233 VanDerWaalsContact CB-CB 3.42Å; L229-A233 HydrophobicContact CD1-CB 3.97Å; L229-A233 HydrophobicContact CG-CB 4.38Å; G230-A233 WeakPolarHBondContact O-CB 3.1Å; G230-A233 PolarHBondContact O-N 2.81Å; G230-A233 VanDerWaalsContact O-N 3.09Å; L231-A233 VanDerWaalsContact C-N 3.27Å; L231-A233 PolarHBondContact O-N 3.33Å; A233-V236 PolarHBondContact O-N 2.69Å; A233-K237 WeakPolarHBondContact O-CB 3.4Å; A233-K237 PolarHBondContact O-N 3.12Å; A233-Y267 HydrophobicContact CB-CD1 4.28Å; A233-Y267 HydrophobicContact CB-CE1 4.01Å; A233-I271 HydrophobicContact CB-CD1 4.16Å; A233-I271 VanDerWaalsContact O-CD1 3.31Å; A233-I271 WeakPolarHBondContact O-CD1 3.47Å
234	I	90.8	Very high	91.4	Very high	62 Å²	62	61 Å²	61	32%	0.318	31%	0.313	S	S	.	.	H	α-helix	trans	-66.6	-44.9	175.1	-59.9	173.3	0	0	0	110	V226 L231 S232 V236 K237 D238	V226-I234 HydrophobicContact CG1-CG1 4.41Å; L231-I234 HydrophobicContact CD2-CD1 4.44Å; L231-I234 WeakPolarHBondContact O-CB 3.38Å; L231-I234 PolarHBondContact O-N 3.32Å; L231-I234 VanDerWaalsContact O-N 3.14Å; S232-I234 VanDerWaalsContact C-N 3.32Å; I234-V236 PolarHBondContact O-N 2.9Å; I234-K237 WeakPolarHBondContact O-CB 3.49Å; I234-K237 PolarHBondContact O-N 3.1Å; I234-K237 VanDerWaalsContact O-N 3.16Å; I234-D238 PolarHBondContact O-N 3.44Å
235	Q	91.1	Very high	91.6	Very high	132 Å²	132	60.7 Å²	60.7	62%	0.617	32%	0.315	S	S	*	.	H	α-helix	trans	-59.4	-45.9	175.5	-67.4	174.9	-27.5	0	0	111.9	L231 S232 K237 D238 E239	L231-Q235 PolarHBondContact O-N 2.98Å; S232-Q235 PolarHBondContact O-N 3.18Å; Q235-K237 VanDerWaalsContact C-N 3.31Å; Q235-K237 PolarHBondContact O-N 3.47Å; Q235-D238 PolarHBondContact O-N 3.27Å; Q235-E239 PolarHBondContact O-N 3.03Å
236	V	91.2	Very high	91.8	Very high	20 Å²	20	65.3 Å²	65.3	12%	0.121	34%	0.339	C	S	.	.	H	α-helix	trans	-64.1	-37.7	176.8	174.5	0	0	0	0	111.3	S232 A233 I234 D238 E239 I240 M259 T263 Y267 I271	S232-V236 WeakPolarHBondContact O-CG2 3.32Å; S232-V236 PolarHBondContact O-N 3.31Å; S232-V236 VanDerWaalsContact O-N 3.13Å; A233-V236 PolarHBondContact O-N 2.69Å; I234-V236 PolarHBondContact O-N 2.9Å; V236-D238 VanDerWaalsContact C-N 3.34Å; V236-E239 PolarHBondContact O-N 3.17Å; V236-I240 HydrophobicContact CG1-CD1 3.86Å; V236-I240 HydrophobicContact CG1-CG1 4.37Å; V236-I240 WeakPolarHBondContact O-CB 3.39Å; V236-I240 VanDerWaalsContact O-CG1 3.29Å; V236-I240 WeakPolarHBondContact O-CG1 3.09Å; V236-I240 PolarHBondContact O-N 3.3Å; V236-M259 HydrophobicContact CG1-SD 4.31Å; V236-T263 HydrophobicContact CG1-CG2 4.08Å; V236-T263 HydrophobicContact CG2-CG2 4.48Å; V236-Y267 HydrophobicContact CB-CD2 4.3Å; V236-Y267 HydrophobicContact CG1-CD2 4.19Å; V236-Y267 HydrophobicContact CG2-CD2 3.93Å; V236-Y267 HydrophobicContact CG2-CE2 4.1Å; V236-I271 HydrophobicContact CB-CD1 3.99Å; V236-I271 HydrophobicContact CG1-CD1 3.82Å
237	K	93.3	Very high	92.1	Very high	54 Å²	54	66.1 Å²	66.1	24%	0.235	34%	0.341	C	S	.	.	H	α-helix	trans	-59.8	-45	173.5	179.5	-167.3	166.3	-136.5	0	111.3	V226 A233 I234 Q235 E239 I240 Q241 I271 V275	V226-K237 HydrophobicContact CG1-CB 4.22Å; V226-K237 HydrophobicContact CG1-CD 4.03Å; A233-K237 WeakPolarHBondContact O-CB 3.4Å; A233-K237 PolarHBondContact O-N 3.12Å; I234-K237 WeakPolarHBondContact O-CB 3.49Å; I234-K237 PolarHBondContact O-N 3.1Å; I234-K237 VanDerWaalsContact O-N 3.16Å; Q235-K237 VanDerWaalsContact C-N 3.31Å; Q235-K237 PolarHBondContact O-N 3.47Å; K237-E239 VanDerWaalsContact C-N 3.35Å; K237-I240 PolarHBondContact O-N 2.88Å; K237-Q241 WeakPolarHBondContact O-CB 3.49Å; K237-Q241 PolarHBondContact O-N 2.88Å; K237-I271 HydrophobicContact CB-CD1 4.5Å; K237-I271 HydrophobicContact CB-CG2 3.55Å; K237-I271 HydrophobicContact CG-CG2 3.75Å; K237-V275 HydrophobicContact CG-CG2 3.81Å
238	D	93.7	Very high	92.4	Very high	79 Å²	79	62.9 Å²	62.9	42%	0.422	33%	0.326	S	S	.	.	H	α-helix	trans	-65.6	-38.8	-179.1	-65.3	-18.7	0	0	0	111.4	I234 Q235 V236 Q241 K242	I234-D238 PolarHBondContact O-N 3.44Å; Q235-D238 PolarHBondContact O-N 3.27Å; V236-D238 VanDerWaalsContact C-N 3.34Å; D238-Q241 WeakPolarHBondContact O-CB 3.45Å; D238-Q241 PolarHBondContact O-N 2.94Å; D238-K242 WeakPolarHBondContact O-CG 3.46Å; D238-K242 PolarHBondContact O-N 3.07Å
239	E	93.4	Very high	92.8	Very high	91 Å²	91	57.3 Å²	57.3	43%	0.425	30%	0.296	S	S	.	.	H	α-helix	trans	-65	-43.2	172.1	-66	-54.4	134.2	0	0	112.3	Q235 V236 K237 Q241 K242 L243 M259	Q235-E239 PolarHBondContact O-N 3.03Å; V236-E239 PolarHBondContact O-N 3.17Å; K237-E239 VanDerWaalsContact C-N 3.35Å; E239-Q241 VanDerWaalsContact C-N 3.28Å; E239-Q241 PolarHBondContact O-N 2.88Å; E239-K242 PolarHBondContact O-N 2.94Å; E239-K242 IonicContact OE1-NZ 2.79Å; E239-K242 PolarHBondContact OE1-NZ 3.46Å; E239-K242 IonicContact OE2-NZ 3.95Å; E239-L243 PolarHBondContact O-N 3.12Å; E239-M259 HydrophobicContact CB-CE 3.84Å; E239-M259 HydrophobicContact CB-SD 4.29Å
240	I	93.6	Very high	93.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.7	-40.5	175.6	-71.6	170.8	0	0	0	110.1	V236 K237 L243 F244 M259 I271 L272 V275	V236-I240 HydrophobicContact CG1-CD1 3.86Å; V236-I240 HydrophobicContact CG1-CG1 4.37Å; V236-I240 WeakPolarHBondContact O-CB 3.39Å; V236-I240 VanDerWaalsContact O-CG1 3.29Å; V236-I240 WeakPolarHBondContact O-CG1 3.09Å; V236-I240 PolarHBondContact O-N 3.3Å; K237-I240 PolarHBondContact O-N 2.88Å; I240-L243 WeakPolarHBondContact O-CB 3.28Å; I240-L243 PolarHBondContact O-N 3.1Å; I240-F244 HydrophobicContact CG2-CD2 3.7Å; I240-F244 HydrophobicContact CG2-CE2 3.64Å; I240-F244 VanDerWaalsContact O-CD2 3.29Å; I240-F244 WeakPolarHBondContact O-CD2 3.32Å; I240-F244 PolarHBondContact O-N 3.08Å; I240-M259 HydrophobicContact CB-CE 4.21Å; I240-M259 HydrophobicContact CG1-CE 3.4Å; I240-M259 HydrophobicContact CG1-SD 4.05Å; I240-I271 HydrophobicContact CD1-CB 4.47Å; I240-I271 HydrophobicContact CD1-CG2 4.04Å; I240-L272 HydrophobicContact CG2-CD2 4.2Å; I240-V275 HydrophobicContact CG2-CG1 4.28Å; I240-V275 HydrophobicContact CG2-CG2 4.45Å
241	Q	95	Very high	93.4	Very high	56 Å²	56	54.5 Å²	54.5	26%	0.262	27%	0.273	S	S	.	.	H	α-helix	trans	-60.9	-44.2	177.5	-176.4	64.8	65	0	0	111.5	K237 D238 E239 L243 F244 D245	K237-Q241 WeakPolarHBondContact O-CB 3.49Å; K237-Q241 PolarHBondContact O-N 2.88Å; D238-Q241 WeakPolarHBondContact O-CB 3.45Å; D238-Q241 PolarHBondContact O-N 2.94Å; E239-Q241 VanDerWaalsContact C-N 3.28Å; E239-Q241 PolarHBondContact O-N 2.88Å; Q241-L243 VanDerWaalsContact C-N 3.31Å; Q241-L243 PolarHBondContact O-N 3.39Å; Q241-F244 CarbonylContact O-C 3.51Å; Q241-F244 PolarHBondContact O-N 3.16Å; Q241-F244 VanDerWaalsContact O-N 3.08Å; Q241-D245 PolarHBondContact NE2-OD1 2.71Å; Q241-D245 PolarHBondContact O-N 2.76Å
242	K	96.2	Very high	93.5	Very high	110 Å²	110	51.1 Å²	51.1	48%	0.478	25%	0.25	S	S	.	.	H	α-helix	trans	-57.2	-43.5	175	-68.9	170.2	-170.7	170.9	0	111.9	D238 E239 F244 D245 E246	D238-K242 WeakPolarHBondContact O-CG 3.46Å; D238-K242 PolarHBondContact O-N 3.07Å; E239-K242 PolarHBondContact O-N 2.94Å; E239-K242 IonicContact OE1-NZ 2.79Å; E239-K242 PolarHBondContact OE1-NZ 3.46Å; E239-K242 IonicContact OE2-NZ 3.95Å; K242-F244 VanDerWaalsContact C-N 3.32Å; K242-F244 PolarHBondContact O-N 3.46Å; K242-D245 WeakPolarHBondContact O-CB 3.25Å; K242-D245 PolarHBondContact O-N 3.39Å; K242-D245 VanDerWaalsContact O-N 3.11Å; K242-E246 PolarHBondContact O-N 3.14Å
243	L	95.7	Very high	93.6	Very high	22 Å²	22	50.9 Å²	50.9	12%	0.115	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-40.8	175.5	-65.6	178.1	0	0	0	111.9	E239 I240 Q241 D245 E246 R247 W250 L255 H258 M259	E239-L243 PolarHBondContact O-N 3.12Å; I240-L243 WeakPolarHBondContact O-CB 3.28Å; I240-L243 PolarHBondContact O-N 3.1Å; Q241-L243 VanDerWaalsContact C-N 3.31Å; Q241-L243 PolarHBondContact O-N 3.39Å; L243-D245 VanDerWaalsContact C-N 3.28Å; L243-D245 PolarHBondContact O-N 3.25Å; L243-E246 PolarHBondContact O-N 3.35Å; L243-R247 PolarHBondContact O-N 3.35Å; L243-W250 HydrophobicContact CB-CZ2 4.15Å; L243-W250 HydrophobicContact CD2-CZ2 4.38Å; L243-W250 PolarHBondContact O-NE1 3.39Å; L243-L255 HydrophobicContact CB-CD2 4.16Å; L243-L255 HydrophobicContact CD1-CD2 3.77Å; L243-H258 HydrophobicContact CD1-CB 3.79Å; L243-H258 HydrophobicContact CD2-CB 4.14Å; L243-M259 HydrophobicContact CD1-CE 3.45Å; L243-M259 VanDerWaalsContact CD1-CE 3.45Å; L243-M259 HydrophobicContact CG-CE 4.32Å
244	F	96.6	Very high	93.6	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-68.8	-26.1	175.5	-85.4	-73.3	0	0	0	113.6	I240 Q241 K242 R247 W250 L255 L272 V275 A276 W288 R290	I240-F244 HydrophobicContact CG2-CD2 3.7Å; I240-F244 HydrophobicContact CG2-CE2 3.64Å; I240-F244 VanDerWaalsContact O-CD2 3.29Å; I240-F244 WeakPolarHBondContact O-CD2 3.32Å; I240-F244 PolarHBondContact O-N 3.08Å; Q241-F244 CarbonylContact O-C 3.51Å; Q241-F244 PolarHBondContact O-N 3.16Å; Q241-F244 VanDerWaalsContact O-N 3.08Å; K242-F244 VanDerWaalsContact C-N 3.32Å; K242-F244 PolarHBondContact O-N 3.46Å; F244-R247 CarbonylContact C-O 3.56Å; F244-R247 VanDerWaalsContact CA-O 3.29Å; F244-R247 WeakPolarHBondContact CA-O 3.49Å; F244-R247 CarbonylContact O-C 3.55Å; F244-R247 VanDerWaalsContact O-O 3.13Å; F244-W250 AromaticContact CD1-CD1 3.72Å; F244-W250 HydrophobicContact CE1-CB 4.15Å; F244-W250 AromaticContact CE1-CD1 3.78Å; F244-W250 HydrophobicContact CE1-CG 4.38Å; F244-W250 HydrophobicContact CZ-CB 4.14Å; F244-L255 HydrophobicContact CE2-CD1 4.03Å; F244-L255 HydrophobicContact CE2-CD2 4.34Å; F244-L255 HydrophobicContact CZ-CD1 4.09Å; F244-L272 HydrophobicContact CE2-CD2 4.07Å; F244-L272 HydrophobicContact CZ-CD2 4.4Å; F244-V275 HydrophobicContact CB-CG1 4.23Å; F244-V275 HydrophobicContact CD2-CB 4.48Å; F244-V275 HydrophobicContact CD2-CG1 3.4Å; F244-V275 VanDerWaalsContact CD2-CG1 3.4Å; F244-V275 HydrophobicContact CE2-CG1 3.98Å; F244-V275 HydrophobicContact CG-CG1 3.98Å; F244-A276 HydrophobicContact CD1-CB 4.42Å; F244-A276 HydrophobicContact CE1-CB 3.75Å; F244-A276 HydrophobicContact CE2-CB 4.09Å; F244-A276 HydrophobicContact CZ-CB 3.56Å; F244-W288 HydrophobicContact CE1-CB 4.16Å; F244-W288 WeakPolarHBondContact CE1-O 3.38Å; F244-W288 HydrophobicContact CZ-CB 3.71Å; F244-R290 HydrophobicContact CB-CB 4.31Å; F244-R290 HydrophobicContact CB-CG 4.17Å; F244-R290 HydrophobicContact CD1-CB 3.96Å; F244-R290 HydrophobicContact CG-CB 4.46Å
245	D	95.3	Very high	93.6	Very high	89 Å²	89	47.9 Å²	47.9	48%	0.476	23%	0.232	S	C	.	.	H	α-helix	trans	-76	-32.7	175.5	-64.3	-24.9	0	0	0	111.8	Q241 K242 L243 R290	Q241-D245 PolarHBondContact NE2-OD1 2.71Å; Q241-D245 PolarHBondContact O-N 2.76Å; K242-D245 WeakPolarHBondContact O-CB 3.25Å; K242-D245 PolarHBondContact O-N 3.39Å; K242-D245 VanDerWaalsContact O-N 3.11Å; L243-D245 VanDerWaalsContact C-N 3.28Å; L243-D245 PolarHBondContact O-N 3.25Å; D245-R290 IonicContact OD1-CZ 2.79Å; D245-R290 IonicContact OD1-NH1 3.25Å; D245-R290 PolarHBondContact OD1-NH1 3.48Å
246	E	95.3	Very high	93.5	Very high	154 Å²	154	41.9 Å²	41.9	72%	0.72	21%	0.205	S	C	*	.	H	α-helix	trans	-74.5	-41.8	172.2	-69.2	177.6	-177.1	0	0	112.9	K242 L243	K242-E246 PolarHBondContact O-N 3.14Å; L243-E246 PolarHBondContact O-N 3.35Å
247	R	95.4	Very high	93.3	Very high	20 Å²	20	45.9 Å²	45.9	8%	0.075	22%	0.218	C	C	.	.			trans	-137.4	120.4	-179.6	163.4	175.1	170.9	-173.6	-5.8	109.5	L243 F244 I249 W250 Y304 C424 S426 D427	L243-R247 PolarHBondContact O-N 3.35Å; F244-R247 CarbonylContact C-O 3.56Å; F244-R247 VanDerWaalsContact CA-O 3.29Å; F244-R247 WeakPolarHBondContact CA-O 3.49Å; F244-R247 CarbonylContact O-C 3.55Å; F244-R247 VanDerWaalsContact O-O 3.13Å; R247-I249 VanDerWaalsContact C-N 3.27Å; R247-I249 VanDerWaalsContact CG-O 3.32Å; R247-I249 WeakPolarHBondContact CG-O 3.36Å; R247-I249 PolarHBondContact NE-O 2.76Å; R247-I249 PolarHBondContact O-N 2.8Å; R247-W250 HydrophobicContact CB-CZ2 3.74Å; R247-W250 HydrophobicContact CG-CD2 4.31Å; R247-W250 HydrophobicContact CG-CZ2 4.12Å; R247-W250 PolarHBondContact O-NE1 2.91Å; R247-Y304 HydrophobicContact CG-CD1 4Å; R247-Y304 HydrophobicContact CG-CE1 3.63Å; R247-C424 PolarHBondContact NH2-SG 2.79Å; R247-S426 PolarHBondContact NH1-OG 3.22Å; R247-D427 IonicContact CZ-OD1 2.73Å; R247-D427 IonicContact CZ-OD2 3.22Å; R247-D427 IonicContact NH1-OD1 3.54Å; R247-D427 PolarHBondContact NH1-OD1 3.14Å; R247-D427 IonicContact NH1-OD2 3.4Å; R247-D427 PolarHBondContact NH1-OD2 3.23Å; R247-D427 VanDerWaalsContact NH1-OD2 3.16Å; R247-D427 IonicContact NH2-OD2 3.94Å; R247-D427 PolarHBondContact NH2-OD2 3.4Å
248	P	96.6	Very high	93.1	Very high	22 Å²	22	47 Å²	47	14%	0.143	22%	0.224	C	C	.	.	S	Bend	trans	-72.7	-17.2	-169.8	27.6	-35.2	0	0	0	114.4	V289 R290 Y293 Y304	P248-V289 WeakPolarHBondContact O-CA 3.33Å; P248-R290 PolarHBondContact O-N 3.39Å; P248-Y293 HydrophobicContact CB-CD1 3.56Å; P248-Y293 HydrophobicContact CB-CD2 4.17Å; P248-Y293 HydrophobicContact CB-CE1 3.69Å; P248-Y293 HydrophobicContact CB-CE2 4.32Å; P248-Y293 HydrophobicContact CB-CG 3.78Å; P248-Y293 HydrophobicContact CG-CD1 4.05Å; P248-Y293 HydrophobicContact CG-CD2 4.5Å; P248-Y293 HydrophobicContact CG-CE1 3.61Å; P248-Y293 HydrophobicContact CG-CE2 4.15Å; P248-Y293 HydrophobicContact CG-CG 4.44Å; P248-Y304 HydrophobicContact CG-CD2 4.25Å; P248-Y304 HydrophobicContact CG-CE2 3.96Å
249	I	97.3	Very high	92.9	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125	-175.1	-51.4	-179.7	0	0	0	110.5	R247 W284 A287 W288 V289 Y293 P295 Y304	R247-I249 VanDerWaalsContact C-N 3.27Å; R247-I249 VanDerWaalsContact CG-O 3.32Å; R247-I249 WeakPolarHBondContact CG-O 3.36Å; R247-I249 PolarHBondContact NE-O 2.76Å; R247-I249 PolarHBondContact O-N 2.8Å; I249-W284 HydrophobicContact CD1-CD2 4.45Å; I249-W284 HydrophobicContact CD1-CG 3.97Å; I249-A287 HydrophobicContact CG2-CB 3.58Å; I249-W288 CarbonylContact C-O 3.55Å; I249-W288 VanDerWaalsContact CA-O 3.31Å; I249-W288 WeakPolarHBondContact CA-O 3.48Å; I249-V289 HydrophobicContact CD1-CG2 4.42Å; I249-V289 HydrophobicContact CG1-CG1 4.16Å; I249-V289 HydrophobicContact CG1-CG2 4.1Å; I249-V289 HydrophobicContact CG2-CG2 4.16Å; I249-Y293 HydrophobicContact CD1-CE1 4.03Å; I249-Y293 HydrophobicContact CG1-CD1 4.37Å; I249-Y293 HydrophobicContact CG1-CE1 4.01Å; I249-P295 HydrophobicContact CD1-CB 3.7Å; I249-P295 HydrophobicContact CD1-CG 4.17Å; I249-Y304 HydrophobicContact CB-CG 4.3Å; I249-Y304 HydrophobicContact CD1-CD2 4.38Å; I249-Y304 HydrophobicContact CG1-CD2 4.49Å
250	W	95.7	Very high	92.5	Very high	12 Å²	12	43.2 Å²	43.2	5%	0.045	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	146.6	-179.7	-72.9	94.2	0	0	0	113.1	L243 F244 R247 A254 L255 H258 W288	L243-W250 HydrophobicContact CB-CZ2 4.15Å; L243-W250 HydrophobicContact CD2-CZ2 4.38Å; L243-W250 PolarHBondContact O-NE1 3.39Å; F244-W250 AromaticContact CD1-CD1 3.72Å; F244-W250 HydrophobicContact CE1-CB 4.15Å; F244-W250 AromaticContact CE1-CD1 3.78Å; F244-W250 HydrophobicContact CE1-CG 4.38Å; F244-W250 HydrophobicContact CZ-CB 4.14Å; R247-W250 HydrophobicContact CB-CZ2 3.74Å; R247-W250 HydrophobicContact CG-CD2 4.31Å; R247-W250 HydrophobicContact CG-CZ2 4.12Å; R247-W250 PolarHBondContact O-NE1 2.91Å; W250-A254 HydrophobicContact CE3-CB 3.72Å; W250-A254 HydrophobicContact CZ3-CB 3.99Å; W250-L255 HydrophobicContact CB-CD1 3.9Å; W250-L255 HydrophobicContact CB-CD2 3.72Å; W250-L255 HydrophobicContact CB-CG 3.63Å; W250-L255 HydrophobicContact CD2-CD2 3.77Å; W250-L255 HydrophobicContact CD2-CG 4.34Å; W250-L255 HydrophobicContact CE3-CD2 4.18Å; W250-L255 HydrophobicContact CE3-CG 4.46Å; W250-L255 HydrophobicContact CG-CD2 3.57Å; W250-L255 HydrophobicContact CG-CG 4.03Å; W250-H258 AromaticContact CH2-CD2 3.58Å; W250-H258 AromaticContact CH2-NE2 3.62Å; W250-H258 AromaticContact CZ3-CD2 3.47Å; W250-H258 VanDerWaalsContact CZ3-CD2 3.47Å; W250-H258 WeakPolarHBondContact CZ3-CD2 3.25Å; W250-H258 AromaticContact CZ3-NE2 3.64Å; W250-W288 PolarHBondContact N-O 2.97Å; W250-W288 PolarHBondContact O-N 3.45Å
251	M	92.6	Very high	91.9	Very high	9 Å²	9	45.6 Å²	45.6	4%	0.044	23%	0.23	C	C	.	.			trans	-91.5	151.3	165.3	-59.9	-169.3	-58	0	0	110.4	A254 L255 A287 V306 R422 C424	M251-A254 PolarHBondContact O-N 3.21Å; M251-A254 VanDerWaalsContact O-N 3.1Å; M251-L255 PolarHBondContact O-N 3.45Å; M251-A287 HydrophobicContact CG-CB 4.34Å; M251-V306 HydrophobicContact CG-CG2 4.19Å; M251-V306 HydrophobicContact SD-CG1 3.81Å; M251-V306 HydrophobicContact SD-CG2 3.96Å; M251-R422 VanDerWaalsContact CE-O 3.3Å; M251-R422 WeakPolarHBondContact CE-O 3.28Å; M251-R422 HydrophobicContact SD-CB 4.12Å; M251-C424 HydrophobicContact CE-CB 4.05Å; M251-C424 VanDerWaalsContact CE-N 3.26Å
252	R	89.5	Confident	91.3	Very high	71 Å²	71	48.8 Å²	48.8	27%	0.268	25%	0.249	S	C	.	.	H	α-helix	trans	-54.4	-45.3	179.3	-177.9	-176.3	171.7	113.2	4.2	113.4	A254 L255 A256 L265 F268	R252-A254 VanDerWaalsContact C-N 3.3Å; R252-A254 PolarHBondContact O-N 3.03Å; R252-L255 PolarHBondContact O-N 3.3Å; R252-A256 WeakPolarHBondContact O-CB 3.31Å; R252-A256 PolarHBondContact O-N 3.39Å; R252-L265 PolarHBondContact NH2-O 3.25Å; R252-F268 VanDerWaalsContact CZ-CB 3.42Å; R252-F268 VanDerWaalsContact NH1-CB 3.26Å
253	P	87.5	Confident	90.7	Very high	63 Å²	63	44 Å²	44	41%	0.409	23%	0.229	S	C	.	.	H	α-helix	trans	-62.5	-34.5	177.8	-23.7	35.4	0	0	0	113.7	A256 Y257	P253-A256 WeakPolarHBondContact O-CB 3.36Å; P253-A256 PolarHBondContact O-N 3.34Å; P253-Y257 PolarHBondContact O-N 3.14Å
254	A	90.1	Very high	90	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-70.6	-43.6	178.2	0	0	0	0	0	111.6	W250 M251 R252 A256 Y257 H258 Y408	W250-A254 HydrophobicContact CE3-CB 3.72Å; W250-A254 HydrophobicContact CZ3-CB 3.99Å; M251-A254 PolarHBondContact O-N 3.21Å; M251-A254 VanDerWaalsContact O-N 3.1Å; R252-A254 VanDerWaalsContact C-N 3.3Å; R252-A254 PolarHBondContact O-N 3.03Å; A254-A256 VanDerWaalsContact C-N 3.29Å; A254-A256 PolarHBondContact O-N 2.95Å; A254-Y257 PolarHBondContact O-N 3.13Å; A254-H258 PolarHBondContact O-CD2 3.28Å; A254-H258 PolarHBondContact O-N 3.48Å; A254-Y408 HydrophobicContact CB-CD2 3.51Å; A254-Y408 HydrophobicContact CB-CE2 3.95Å; A254-Y408 HydrophobicContact CB-CG 3.82Å
255	L	90.7	Very high	89.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.3	-41.6	172.4	-69.2	171.2	0	0	0	111.6	L243 F244 W250 M251 R252 Y257 H258 M259 F268 L272	L243-L255 HydrophobicContact CB-CD2 4.16Å; L243-L255 HydrophobicContact CD1-CD2 3.77Å; F244-L255 HydrophobicContact CE2-CD1 4.03Å; F244-L255 HydrophobicContact CE2-CD2 4.34Å; F244-L255 HydrophobicContact CZ-CD1 4.09Å; W250-L255 HydrophobicContact CB-CD1 3.9Å; W250-L255 HydrophobicContact CB-CD2 3.72Å; W250-L255 HydrophobicContact CB-CG 3.63Å; W250-L255 HydrophobicContact CD2-CD2 3.77Å; W250-L255 HydrophobicContact CD2-CG 4.34Å; W250-L255 HydrophobicContact CE3-CD2 4.18Å; W250-L255 HydrophobicContact CE3-CG 4.46Å; W250-L255 HydrophobicContact CG-CD2 3.57Å; W250-L255 HydrophobicContact CG-CG 4.03Å; M251-L255 PolarHBondContact O-N 3.45Å; R252-L255 PolarHBondContact O-N 3.3Å; L255-Y257 VanDerWaalsContact C-N 3.3Å; L255-Y257 PolarHBondContact O-N 3.29Å; L255-H258 PolarHBondContact O-N 3.11Å; L255-M259 WeakPolarHBondContact O-CG 3.11Å; L255-M259 PolarHBondContact O-N 3.35Å; L255-F268 HydrophobicContact CB-CD1 4.48Å; L255-F268 HydrophobicContact CB-CE1 3.94Å; L255-L272 HydrophobicContact CD1-CD2 3.61Å
256	A	88.3	Confident	88.4	Confident	6 Å²	6	49.3 Å²	49.3	5%	0.05	25%	0.247	C	C	.	.	H	α-helix	trans	-58.7	-43.4	178.6	0	0	0	0	0	110.9	R252 P253 A254 H258 M259 F268 L402 V405	R252-A256 WeakPolarHBondContact O-CB 3.31Å; R252-A256 PolarHBondContact O-N 3.39Å; P253-A256 WeakPolarHBondContact O-CB 3.36Å; P253-A256 PolarHBondContact O-N 3.34Å; A254-A256 VanDerWaalsContact C-N 3.29Å; A254-A256 PolarHBondContact O-N 2.95Å; A256-H258 VanDerWaalsContact C-N 3.35Å; A256-H258 PolarHBondContact O-N 3.29Å; A256-M259 PolarHBondContact O-N 2.98Å; A256-F268 HydrophobicContact CB-CE1 4.29Å; A256-F268 HydrophobicContact CB-CZ 4.09Å; A256-L402 VanDerWaalsContact C-CD2 3.48Å; A256-L402 HydrophobicContact CB-CD1 3.61Å; A256-L402 HydrophobicContact CB-CD2 3.61Å; A256-L402 HydrophobicContact CB-CG 4.03Å; A256-L402 WeakPolarHBondContact O-CD2 3.39Å; A256-V405 HydrophobicContact CB-CG2 4.15Å
257	Y	88.3	Confident	87.9	Confident	104 Å²	104	42.8 Å²	42.8	41%	0.408	22%	0.216	S	C	.	.	H	α-helix	trans	-60.5	-38.9	177.5	-176.9	-85.1	0	0	0	113.9	P253 A254 L255 M259 Y408	P253-Y257 PolarHBondContact O-N 3.14Å; A254-Y257 PolarHBondContact O-N 3.13Å; L255-Y257 VanDerWaalsContact C-N 3.3Å; L255-Y257 PolarHBondContact O-N 3.29Å; Y257-M259 VanDerWaalsContact C-N 3.29Å; Y257-M259 PolarHBondContact O-N 2.67Å; Y257-Y408 AromaticContact CD1-CD1 3.9Å; Y257-Y408 HydrophobicContact CD1-CD1 3.9Å; Y257-Y408 AromaticContact CD1-CE1 3.46Å; Y257-Y408 HydrophobicContact CD1-CE1 3.46Å; Y257-Y408 VanDerWaalsContact CD1-CE1 3.46Å; Y257-Y408 AromaticContact CD2-CD1 3.91Å; Y257-Y408 HydrophobicContact CD2-CD1 3.91Å; Y257-Y408 HydrophobicContact CD2-CE1 4.24Å; Y257-Y408 AromaticContact CE1-CE1 3.95Å; Y257-Y408 HydrophobicContact CE1-CE1 3.95Å; Y257-Y408 AromaticContact CG-CD1 3.51Å; Y257-Y408 HydrophobicContact CG-CD1 3.51Å; Y257-Y408 AromaticContact CG-CE1 3.62Å; Y257-Y408 HydrophobicContact CG-CE1 3.62Å
258	H	89.1	Confident	87.4	Confident	77 Å²	77	41.9 Å²	41.9	36%	0.356	21%	0.213	S	C	.	.	H	α-helix	trans	-80.1	-8.5	-179.4	-69.4	-63.6	0	0	0	114	L243 W250 A254 L255 A256 Y408	L243-H258 HydrophobicContact CD1-CB 3.79Å; L243-H258 HydrophobicContact CD2-CB 4.14Å; W250-H258 AromaticContact CH2-CD2 3.58Å; W250-H258 AromaticContact CH2-NE2 3.62Å; W250-H258 AromaticContact CZ3-CD2 3.47Å; W250-H258 VanDerWaalsContact CZ3-CD2 3.47Å; W250-H258 WeakPolarHBondContact CZ3-CD2 3.25Å; W250-H258 AromaticContact CZ3-NE2 3.64Å; A254-H258 PolarHBondContact O-CD2 3.28Å; A254-H258 PolarHBondContact O-N 3.48Å; L255-H258 PolarHBondContact O-N 3.11Å; A256-H258 VanDerWaalsContact C-N 3.35Å; A256-H258 PolarHBondContact O-N 3.29Å; H258-Y408 AromaticContact NE2-CZ 3.8Å; H258-Y408 PolarHBondContact NE2-OH 3.45Å
259	M	88.8	Confident	86.7	Confident	14 Å²	14	43 Å²	43	7%	0.069	22%	0.219	C	C	.	.	S	Bend	trans	-92.3	151.8	179.3	-70.4	-75.5	145.1	0	0	111.3	V236 E239 I240 L243 L255 A256 Y257 A261 T263 F268	V236-M259 HydrophobicContact CG1-SD 4.31Å; E239-M259 HydrophobicContact CB-CE 3.84Å; E239-M259 HydrophobicContact CB-SD 4.29Å; I240-M259 HydrophobicContact CB-CE 4.21Å; I240-M259 HydrophobicContact CG1-CE 3.4Å; I240-M259 HydrophobicContact CG1-SD 4.05Å; L243-M259 HydrophobicContact CD1-CE 3.45Å; L243-M259 VanDerWaalsContact CD1-CE 3.45Å; L243-M259 HydrophobicContact CG-CE 4.32Å; L255-M259 WeakPolarHBondContact O-CG 3.11Å; L255-M259 PolarHBondContact O-N 3.35Å; A256-M259 PolarHBondContact O-N 2.98Å; Y257-M259 VanDerWaalsContact C-N 3.29Å; Y257-M259 PolarHBondContact O-N 2.67Å; M259-A261 PolarHBondContact O-N 3.25Å; M259-T263 HydrophobicContact CB-CG2 4.43Å; M259-F268 HydrophobicContact CB-CZ 4.13Å; M259-F268 HydrophobicContact CG-CE1 4.26Å; M259-F268 HydrophobicContact CG-CZ 3.91Å
260	P	85.8	Confident	86.2	Confident	76 Å²	76	44.9 Å²	44.9	49%	0.494	23%	0.228	S	C	.	.			trans	-52.7	139.2	171.5	-27.1	36	0	0	0	111.9	D262 T263	P260-D262 WeakPolarHBondContact CB-OD1 3.08Å; P260-D262 PolarHBondContact O-N 2.78Å; P260-D262 VanDerWaalsContact O-N 3.1Å; P260-T263 WeakPolarHBondContact O-CB 3.21Å; P260-T263 PolarHBondContact O-N 3.07Å; P260-T263 PolarHBondContact O-OG1 2.61Å
261	A	80.3	Confident	86	Confident	50 Å²	50	44.3 Å²	44.3	41%	0.413	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.8	-172.7	0	0	0	0	0	114.3	M259 T263	M259-A261 PolarHBondContact O-N 3.25Å; A261-T263 VanDerWaalsContact C-N 3.3Å
262	D	81.9	Confident	86.1	Confident	124 Å²	124	43.9 Å²	43.9	66%	0.663	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.9	175.1	62.4	-40.8	0	0	0	113.4	P260 R264	P260-D262 WeakPolarHBondContact CB-OD1 3.08Å; P260-D262 PolarHBondContact O-N 2.78Å; P260-D262 VanDerWaalsContact O-N 3.1Å; D262-R264 PolarHBondContact O-N 3.46Å
263	T	84	Confident	86.3	Confident	9 Å²	9	40.8 Å²	40.8	6%	0.055	21%	0.213	C	C	.	.			trans	-58.4	126.2	174.9	-56.7	0	0	0	0	110.2	V236 M259 P260 A261 Y267 F268 L402	V236-T263 HydrophobicContact CG1-CG2 4.08Å; V236-T263 HydrophobicContact CG2-CG2 4.48Å; M259-T263 HydrophobicContact CB-CG2 4.43Å; P260-T263 WeakPolarHBondContact O-CB 3.21Å; P260-T263 PolarHBondContact O-N 3.07Å; P260-T263 PolarHBondContact O-OG1 2.61Å; A261-T263 VanDerWaalsContact C-N 3.3Å; T263-Y267 HydrophobicContact CG2-CD2 3.93Å; T263-F268 HydrophobicContact CG2-CE2 3.86Å; T263-F268 HydrophobicContact CG2-CZ 4.25Å; T263-L402 PolarHBondContact O-N 3.11Å; T263-L402 VanDerWaalsContact O-N 3.14Å
264	R	80.9	Confident	86.6	Confident	128 Å²	128	38.1 Å²	38.1	48%	0.483	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-70.8	135.5	-178.5	-61.9	-176.4	179.3	172.6	-2.1	110.7	D262 I266 Y267	D262-R264 PolarHBondContact O-N 3.46Å; R264-I266 HydrophobicContact CB-CG2 3.89Å; R264-I266 PolarHBondContact O-N 3.09Å; R264-I266 VanDerWaalsContact O-N 3.12Å; R264-Y267 HydrophobicContact CB-CD1 4.47Å; R264-Y267 HydrophobicContact CB-CD2 4.04Å; R264-Y267 HydrophobicContact CB-CE1 4.46Å; R264-Y267 HydrophobicContact CB-CE2 4.04Å; R264-Y267 HydrophobicContact CB-CG 4.26Å; R264-Y267 HydrophobicContact CG-CE2 4.21Å; R264-Y267 VanDerWaalsContact O-CB 3.3Å; R264-Y267 WeakPolarHBondContact O-CB 3.16Å; R264-Y267 PolarHBondContact O-N 3.04Å
265	L	78	Confident	86.8	Confident	56 Å²	56	38.2 Å²	38.2	29%	0.293	20%	0.196	S	C	.	.	H	α-helix	trans	-58.7	-29.2	179.9	-75.4	167.4	0	0	0	113.6	R252 Y267 F268 K400 L402	R252-L265 PolarHBondContact NH2-O 3.25Å; L265-Y267 PolarHBondContact O-N 3.08Å; L265-F268 PolarHBondContact O-N 3.14Å; L265-K400 HydrophobicContact CD1-CB 3.79Å; L265-K400 PolarHBondContact N-O 2.95Å; L265-L402 HydrophobicContact CD2-CD1 3.53Å; L265-L402 HydrophobicContact CD2-CG 4.44Å; L265-L402 HydrophobicContact CG-CD1 4.5Å
266	I	80.9	Confident	87.1	Confident	39 Å²	39	38.2 Å²	38.2	20%	0.2	20%	0.196	C	C	.	.	H	α-helix	trans	-63	-25.9	176.8	-162.1	167.2	0	0	0	112.9	R264 F268 T269 Q270	R264-I266 HydrophobicContact CB-CG2 3.89Å; R264-I266 PolarHBondContact O-N 3.09Å; R264-I266 VanDerWaalsContact O-N 3.12Å; I266-F268 PolarHBondContact O-N 3.25Å; I266-T269 PolarHBondContact O-N 2.77Å; I266-T269 PolarHBondContact O-OG1 3.34Å; I266-Q270 HydrophobicContact CG1-CG 4.17Å; I266-Q270 WeakPolarHBondContact O-CG 3.19Å; I266-Q270 PolarHBondContact O-N 3.29Å; I266-Q270 VanDerWaalsContact O-N 3.16Å
267	Y	83.7	Confident	87.5	Confident	18 Å²	18	37.9 Å²	37.9	7%	0.071	19%	0.194	C	C	.	.	H	α-helix	trans	-65.2	-40.4	178.1	-67.7	-17.7	0	0	0	111.2	L229 A233 V236 T263 R264 L265 T269 Q270 I271	L229-Y267 HydrophobicContact CD1-CD1 4.11Å; L229-Y267 HydrophobicContact CD1-CE1 4.42Å; A233-Y267 HydrophobicContact CB-CD1 4.28Å; A233-Y267 HydrophobicContact CB-CE1 4.01Å; V236-Y267 HydrophobicContact CB-CD2 4.3Å; V236-Y267 HydrophobicContact CG1-CD2 4.19Å; V236-Y267 HydrophobicContact CG2-CD2 3.93Å; V236-Y267 HydrophobicContact CG2-CE2 4.1Å; T263-Y267 HydrophobicContact CG2-CD2 3.93Å; R264-Y267 HydrophobicContact CB-CD1 4.47Å; R264-Y267 HydrophobicContact CB-CD2 4.04Å; R264-Y267 HydrophobicContact CB-CE1 4.46Å; R264-Y267 HydrophobicContact CB-CE2 4.04Å; R264-Y267 HydrophobicContact CB-CG 4.26Å; R264-Y267 HydrophobicContact CG-CE2 4.21Å; R264-Y267 VanDerWaalsContact O-CB 3.3Å; R264-Y267 WeakPolarHBondContact O-CB 3.16Å; R264-Y267 PolarHBondContact O-N 3.04Å; L265-Y267 PolarHBondContact O-N 3.08Å; Y267-T269 VanDerWaalsContact C-N 3.34Å; Y267-T269 PolarHBondContact O-N 3.2Å; Y267-Q270 PolarHBondContact O-N 3.5Å; Y267-I271 HydrophobicContact CD1-CD1 4.37Å; Y267-I271 HydrophobicContact CG-CD1 4.03Å; Y267-I271 WeakPolarHBondContact O-CA 3.5Å; Y267-I271 WeakPolarHBondContact O-CB 3.38Å; Y267-I271 VanDerWaalsContact O-CG1 3.25Å; Y267-I271 WeakPolarHBondContact O-CG1 3.48Å; Y267-I271 PolarHBondContact O-N 3.13Å
268	F	84.7	Confident	87.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.8	-37.3	176.6	-64.3	-86.8	0	0	0	112.7	R252 L255 A256 M259 T263 L265 I266 L272 L402	R252-F268 VanDerWaalsContact CZ-CB 3.42Å; R252-F268 VanDerWaalsContact NH1-CB 3.26Å; L255-F268 HydrophobicContact CB-CD1 4.48Å; L255-F268 HydrophobicContact CB-CE1 3.94Å; A256-F268 HydrophobicContact CB-CE1 4.29Å; A256-F268 HydrophobicContact CB-CZ 4.09Å; M259-F268 HydrophobicContact CB-CZ 4.13Å; M259-F268 HydrophobicContact CG-CE1 4.26Å; M259-F268 HydrophobicContact CG-CZ 3.91Å; T263-F268 HydrophobicContact CG2-CE2 3.86Å; T263-F268 HydrophobicContact CG2-CZ 4.25Å; L265-F268 PolarHBondContact O-N 3.14Å; I266-F268 PolarHBondContact O-N 3.25Å; F268-L272 HydrophobicContact CB-CD1 4.15Å; F268-L272 HydrophobicContact CD1-CD1 4.45Å; F268-L272 WeakPolarHBondContact O-CB 3.21Å; F268-L272 WeakPolarHBondContact O-CD1 3.45Å; F268-L272 WeakPolarHBondContact O-CG 3.46Å; F268-L402 HydrophobicContact CD2-CD1 4.03Å; F268-L402 HydrophobicContact CE2-CD1 3.35Å; F268-L402 HydrophobicContact CZ-CD1 3.91Å
269	T	83.2	Confident	88.1	Confident	46 Å²	46	31.2 Å²	31.2	28%	0.282	17%	0.165	S	C	.	.	H	α-helix	trans	-74.6	-26.2	179.5	55.5	0	0	0	0	113.3	I266 Y267	I266-T269 PolarHBondContact O-N 2.77Å; I266-T269 PolarHBondContact O-OG1 3.34Å; Y267-T269 VanDerWaalsContact C-N 3.34Å; Y267-T269 PolarHBondContact O-N 3.2Å
270	Q	87.1	Confident	88.2	Confident	41 Å²	41	33.2 Å²	33.2	19%	0.192	18%	0.176	C	C	.	.	H	α-helix	trans	-103.1	-32.9	-174.3	-63	-161.2	21.5	0	0	114.1	R225 L229 I266 Y267	R225-Q270 HydrophobicContact CG-CB 4.07Å; R225-Q270 HydrophobicContact CG-CG 4.31Å; R225-Q270 VanDerWaalsContact CG-OE1 3.26Å; L229-Q270 HydrophobicContact CD1-CB 3.71Å; L229-Q270 HydrophobicContact CD1-CG 4.36Å; L229-Q270 VanDerWaalsContact CD1-OE1 3.26Å; L229-Q270 VanDerWaalsContact CG-OE1 3.29Å; I266-Q270 HydrophobicContact CG1-CG 4.17Å; I266-Q270 WeakPolarHBondContact O-CG 3.19Å; I266-Q270 PolarHBondContact O-N 3.29Å; I266-Q270 VanDerWaalsContact O-N 3.16Å; Y267-Q270 PolarHBondContact O-N 3.5Å
271	I	91.7	Very high	88.4	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-85.2	-39.8	-177.9	-60.3	177.8	0	0	0	111.5	V226 A233 V236 K237 I240 Y267 S274 V275	V226-I271 HydrophobicContact CG1-CG1 4.34Å; V226-I271 HydrophobicContact CG2-CB 4.29Å; V226-I271 HydrophobicContact CG2-CG1 4.01Å; V226-I271 HydrophobicContact CG2-CG2 4.46Å; A233-I271 HydrophobicContact CB-CD1 4.16Å; A233-I271 VanDerWaalsContact O-CD1 3.31Å; A233-I271 WeakPolarHBondContact O-CD1 3.47Å; V236-I271 HydrophobicContact CB-CD1 3.99Å; V236-I271 HydrophobicContact CG1-CD1 3.82Å; K237-I271 HydrophobicContact CB-CD1 4.5Å; K237-I271 HydrophobicContact CB-CG2 3.55Å; K237-I271 HydrophobicContact CG-CG2 3.75Å; I240-I271 HydrophobicContact CD1-CB 4.47Å; I240-I271 HydrophobicContact CD1-CG2 4.04Å; Y267-I271 HydrophobicContact CD1-CD1 4.37Å; Y267-I271 HydrophobicContact CG-CD1 4.03Å; Y267-I271 WeakPolarHBondContact O-CA 3.5Å; Y267-I271 WeakPolarHBondContact O-CB 3.38Å; Y267-I271 VanDerWaalsContact O-CG1 3.25Å; Y267-I271 WeakPolarHBondContact O-CG1 3.48Å; Y267-I271 PolarHBondContact O-N 3.13Å; I271-S274 WeakPolarHBondContact O-CA 3.45Å; I271-S274 WeakPolarHBondContact O-CB 3.22Å; I271-S274 PolarHBondContact O-N 2.89Å; I271-S274 PolarHBondContact O-OG 3.37Å; I271-V275 HydrophobicContact CG2-CG2 4.4Å
272	L	93.2	Very high	89	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-53.7	-44.6	-177	-73.2	176	0	0	0	113.5	I240 F244 L255 F268 S274 V275 A276 W288	I240-L272 HydrophobicContact CG2-CD2 4.2Å; F244-L272 HydrophobicContact CE2-CD2 4.07Å; F244-L272 HydrophobicContact CZ-CD2 4.4Å; L255-L272 HydrophobicContact CD1-CD2 3.61Å; F268-L272 HydrophobicContact CB-CD1 4.15Å; F268-L272 HydrophobicContact CD1-CD1 4.45Å; F268-L272 WeakPolarHBondContact O-CB 3.21Å; F268-L272 WeakPolarHBondContact O-CD1 3.45Å; F268-L272 WeakPolarHBondContact O-CG 3.46Å; L272-S274 PolarHBondContact O-N 3.37Å; L272-V275 PolarHBondContact O-N 3.44Å; L272-A276 PolarHBondContact O-N 3.45Å; L272-A276 VanDerWaalsContact O-O 3.12Å; L272-W288 HydrophobicContact CB-CD2 3.87Å; L272-W288 HydrophobicContact CB-CE3 3.79Å; L272-W288 HydrophobicContact CB-CH2 3.67Å; L272-W288 HydrophobicContact CB-CZ2 3.76Å; L272-W288 HydrophobicContact CB-CZ3 3.69Å; L272-W288 HydrophobicContact CD1-CD2 3.98Å; L272-W288 HydrophobicContact CD1-CG 4.21Å; L272-W288 HydrophobicContact CD1-CZ2 3.91Å; L272-W288 HydrophobicContact CD2-CD2 4.4Å; L272-W288 HydrophobicContact CD2-CG 4.43Å; L272-W288 HydrophobicContact CG-CD2 4.32Å; L272-W288 HydrophobicContact CG-CZ2 4.47Å
273	P	94.3	Very high	89.6	Confident	5 Å²	5	31.1 Å²	31.1	3%	0.032	15%	0.146	C	C	.	.	H	α-helix	trans	-55.1	-22.1	172.9	-30.7	38.6	0	0	0	115.6	A222 W288 Y291	A222-P273 HydrophobicContact CB-CB 3.91Å; P273-W288 HydrophobicContact CG-CH2 4.08Å; P273-W288 HydrophobicContact CG-CZ3 4.42Å; P273-Y291 WeakPolarHBondContact O-CE2 3.4Å; P273-Y291 PolarHBondContact O-OH 3.07Å
274	S	94.1	Very high	90.1	Very high	7 Å²	7	30.7 Å²	30.7	5%	0.049	14%	0.143	C	C	.	.	H	α-helix	trans	-86.4	-13.9	178.8	78.3	0	0	0	0	114	P218 I271 L272	P218-S274 WeakPolarHBondContact CG-O 3.48Å; I271-S274 WeakPolarHBondContact O-CA 3.45Å; I271-S274 WeakPolarHBondContact O-CB 3.22Å; I271-S274 PolarHBondContact O-N 2.89Å; I271-S274 PolarHBondContact O-OG 3.37Å; L272-S274 PolarHBondContact O-N 3.37Å
275	V	94.6	Very high	90.6	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-118.1	-32.5	-173.8	177.6	0	0	0	0	112.4	K237 I240 F244 I271 L272 Y291	K237-V275 HydrophobicContact CG-CG2 3.81Å; I240-V275 HydrophobicContact CG2-CG1 4.28Å; I240-V275 HydrophobicContact CG2-CG2 4.45Å; F244-V275 HydrophobicContact CB-CG1 4.23Å; F244-V275 HydrophobicContact CD2-CB 4.48Å; F244-V275 HydrophobicContact CD2-CG1 3.4Å; F244-V275 VanDerWaalsContact CD2-CG1 3.4Å; F244-V275 HydrophobicContact CE2-CG1 3.98Å; F244-V275 HydrophobicContact CG-CG1 3.98Å; I271-V275 HydrophobicContact CG2-CG2 4.4Å; L272-V275 PolarHBondContact O-N 3.44Å; V275-Y291 VanDerWaalsContact C-CE2 3.44Å; V275-Y291 WeakPolarHBondContact O-CD2 3.45Å
276	A	96.5	Very high	91.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	159.1	-173.5	0	0	0	0	0	112	F244 L272 W288 V289 Y291	F244-A276 HydrophobicContact CD1-CB 4.42Å; F244-A276 HydrophobicContact CE1-CB 3.75Å; F244-A276 HydrophobicContact CE2-CB 4.09Å; F244-A276 HydrophobicContact CZ-CB 3.56Å; L272-A276 PolarHBondContact O-N 3.45Å; L272-A276 VanDerWaalsContact O-O 3.12Å; A276-W288 HydrophobicContact CB-CB 3.97Å; A276-W288 HydrophobicContact CB-CE3 3.94Å; A276-W288 WeakPolarHBondContact O-CZ3 3.34Å; A276-V289 CarbonylContact C-O 3.48Å; A276-V289 WeakPolarHBondContact CA-O 3.42Å; A276-V289 WeakPolarHBondContact CB-O 3.43Å; A276-Y291 VanDerWaalsContact C-CZ 3.46Å; A276-Y291 VanDerWaalsContact N-CE2 3.27Å; A276-Y291 PolarHBondContact O-OH 3.35Å
277	Y	96.2	Very high	91.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	163.8	165.8	68.4	-90.7	0	0	0	110.6	V208 T214 P215 M279 W288 V289 Y291 Y293	V208-Y277 HydrophobicContact CB-CD2 3.79Å; V208-Y277 HydrophobicContact CB-CE2 4.01Å; V208-Y277 HydrophobicContact CG1-CD2 4.34Å; V208-Y277 HydrophobicContact CG1-CE2 4.11Å; V208-Y277 HydrophobicContact CG2-CD2 3.43Å; V208-Y277 VanDerWaalsContact CG2-CD2 3.43Å; V208-Y277 HydrophobicContact CG2-CE2 4.03Å; V208-Y277 HydrophobicContact CG2-CG 4.1Å; T214-Y277 HydrophobicContact CG2-CE1 3.72Å; P215-Y277 HydrophobicContact CG-CD1 4.44Å; P215-Y277 HydrophobicContact CG-CG 4.2Å; Y277-M279 HydrophobicContact CD2-CG 4.49Å; Y277-M279 HydrophobicContact CE2-CE 3.91Å; Y277-M279 HydrophobicContact CE2-CG 3.92Å; Y277-W288 CarbonylContact O-C 3.38Å; Y277-W288 VanDerWaalsContact O-CA 3.31Å; Y277-W288 WeakPolarHBondContact O-CA 3.36Å; Y277-V289 HydrophobicContact CD1-CB 4.17Å; Y277-V289 WeakPolarHBondContact CD1-O 3.43Å; Y277-V289 HydrophobicContact CD2-CB 4.3Å; Y277-V289 HydrophobicContact CE1-CB 3.66Å; Y277-V289 HydrophobicContact CE1-CG1 3.62Å; Y277-V289 HydrophobicContact CE2-CB 3.83Å; Y277-V289 HydrophobicContact CE2-CG1 4.34Å; Y277-V289 HydrophobicContact CE2-CG2 4.16Å; Y277-V289 HydrophobicContact CG-CB 4.47Å; Y277-V289 VanDerWaalsContact CZ-CB 3.49Å; Y277-V289 PolarHBondContact N-O 3.37Å; Y277-V289 PolarHBondContact O-N 3.33Å; Y277-V289 WeakPolarHBondContact OH-CG1 3.43Å; Y277-Y291 HydrophobicContact CD1-CD1 4.13Å; Y277-Y291 HydrophobicContact CD1-CE1 4.44Å; Y277-Y293 PolarHBondContact OH-O 2.94Å
278	Y	95.5	Very high	92.5	Very high	39 Å²	39	26.7 Å²	26.7	15%	0.153	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.6	-175.7	-173.1	-104.3	0	0	0	111.1	Y206 L207 V208 R286 A287 W288	Y206-Y278 PolarHBondContact O-N 2.74Å; L207-Y278 WeakPolarHBondContact CA-O 3.24Å; L207-Y278 HydrophobicContact CD2-CD1 3.86Å; L207-Y278 HydrophobicContact CD2-CG 4.38Å; V208-Y278 PolarHBondContact N-O 3.43Å; Y278-R286 WeakPolarHBondContact CE2-O 3.42Å; Y278-R286 VanDerWaalsContact CZ-CA 3.49Å; Y278-R286 VanDerWaalsContact OH-CA 3.29Å; Y278-R286 WeakPolarHBondContact OH-CA 3.39Å; Y278-R286 WeakPolarHBondContact OH-CB 3.38Å; Y278-R286 WeakPolarHBondContact OH-CD 3.33Å; Y278-A287 WeakPolarHBondContact CD2-O 3.42Å; Y278-W288 AromaticContact CD2-CD1 3.82Å; Y278-W288 AromaticContact CD2-CD2 3.88Å; Y278-W288 HydrophobicContact CD2-CD2 3.88Å; Y278-W288 AromaticContact CD2-CE2 3.55Å; Y278-W288 HydrophobicContact CD2-CG 4.06Å; Y278-W288 HydrophobicContact CD2-CZ2 4.02Å; Y278-W288 AromaticContact CD2-NE1 3.48Å; Y278-W288 AromaticContact CE2-NE1 3.71Å; Y278-W288 HydrophobicContact CG-CZ2 4.5Å
279	M	94.1	Very high	93.1	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.7	174.5	-80.2	-165.4	173.3	0	0	111.3	V208 Y277 W284 R286 A287 V289 P295	V208-M279 WeakPolarHBondContact O-CA 3.18Å; Y277-M279 HydrophobicContact CD2-CG 4.49Å; Y277-M279 HydrophobicContact CE2-CE 3.91Å; Y277-M279 HydrophobicContact CE2-CG 3.92Å; M279-W284 HydrophobicContact SD-CB 3.81Å; M279-W284 HydrophobicContact SD-CE3 4.06Å; M279-R286 PolarHBondContact O-N 3.48Å; M279-A287 PolarHBondContact N-O 3.44Å; M279-V289 HydrophobicContact CG-CG2 4.21Å; M279-V289 HydrophobicContact SD-CG2 4.36Å; M279-P295 HydrophobicContact CE-CG 3.43Å; M279-P295 VanDerWaalsContact CE-CG 3.43Å; M279-P295 HydrophobicContact SD-CG 4.13Å
280	I	91.5	Very high	93.7	Very high	57 Å²	57	28.6 Å²	28.6	29%	0.292	13%	0.129	S	C	.	.			trans	-81.5	-47.3	-177.7	-47.4	176.2	0	0	0	110.9	L207 V208 S285	L207-I280 HydrophobicContact CB-CD1 3.62Å; L207-I280 HydrophobicContact CB-CG1 3.86Å; V208-I280 PolarHBondContact O-N 3.28Å; I280-S285 WeakPolarHBondContact O-CB 3.41Å
281	R	90.3	Very high	94.2	Very high	175 Å²	175	27.7 Å²	27.7	66%	0.66	12%	0.124	S	C	*	.	S	Bend	trans	-127	165.7	-171.8	-62.6	-173.7	179	-154.9	-0	110.9
282	G	91.7	Very high	94.3	Very high	24 Å²	24	30.2 Å²	30.2	25%	0.247	15%	0.15	C	C	.	.	S	Bend	trans	90.9	-168.3	176.8	0	0	0	0	0	114.7	W284 S285	G282-W284 PolarHBondContact O-N 3.27Å; G282-S285 WeakPolarHBondContact O-CB 3.1Å; G282-S285 PolarHBondContact O-N 3.38Å; G282-S285 PolarHBondContact O-OG 3.42Å
283	P	94.8	Very high	94.5	Very high	6 Å²	6	32 Å²	32	4%	0.039	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.8	-170.7	-24.4	35	0	0	0	114.8	Q305 V306 I446 D447	P283-Q305 HydrophobicContact CB-CG 3.73Å; P283-Q305 CarbonylContact O-C 3.54Å; P283-Q305 WeakPolarHBondContact O-CA 3.45Å; P283-V306 PolarHBondContact O-N 3.24Å; P283-I446 HydrophobicContact CG-CD1 4.33Å; P283-D447 WeakPolarHBondContact CG-O 3.5Å
284	W	95.2	Very high	94.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	24.3	174.4	-54.7	-86.4	0	0	0	112.3	I249 M279 G282 R286 A287 P295 R296 A301 Y304 Q305 I446 W452	I249-W284 HydrophobicContact CD1-CD2 4.45Å; I249-W284 HydrophobicContact CD1-CG 3.97Å; M279-W284 HydrophobicContact SD-CB 3.81Å; M279-W284 HydrophobicContact SD-CE3 4.06Å; G282-W284 PolarHBondContact O-N 3.27Å; W284-R286 PolarHBondContact O-N 3.4Å; W284-A287 WeakPolarHBondContact O-CB 3.33Å; W284-A287 PolarHBondContact O-N 3.3Å; W284-A287 VanDerWaalsContact O-N 3.11Å; W284-P295 HydrophobicContact CD2-CB 3.76Å; W284-P295 HydrophobicContact CD2-CG 3.84Å; W284-P295 HydrophobicContact CE3-CB 3.84Å; W284-P295 HydrophobicContact CE3-CG 3.63Å; W284-P295 HydrophobicContact CG-CB 4.48Å; W284-P295 HydrophobicContact CG-CG 4.42Å; W284-P295 HydrophobicContact CH2-CB 3.74Å; W284-P295 HydrophobicContact CH2-CG 4.32Å; W284-P295 WeakPolarHBondContact CH2-O 3.44Å; W284-P295 HydrophobicContact CZ2-CB 3.68Å; W284-P295 HydrophobicContact CZ3-CB 3.8Å; W284-P295 HydrophobicContact CZ3-CG 3.85Å; W284-R296 HydrophobicContact CZ3-CG 4.29Å; W284-A301 HydrophobicContact CH2-CB 4.43Å; W284-A301 HydrophobicContact CZ2-CB 3.62Å; W284-A301 PolarHBondContact NE1-O 3.27Å; W284-Y304 VanDerWaalsContact CD1-C 3.47Å; W284-Q305 HydrophobicContact CD2-CG 4.48Å; W284-Q305 HydrophobicContact CZ2-CG 3.97Å; W284-I446 HydrophobicContact CE3-CD1 4.47Å; W284-I446 HydrophobicContact CH2-CD1 3.39Å; W284-I446 HydrophobicContact CZ3-CD1 3.24Å; W284-W452 AromaticContact CH2-CD1 3.69Å; W284-W452 AromaticContact CH2-NE1 3.76Å; W284-W452 AromaticContact CZ2-CD1 3.81Å
285	S	91	Very high	94.6	Very high	34 Å²	34	32.3 Å²	32.3	24%	0.238	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	139.3	179.5	62	0	0	0	0	111.4	I280 G282 A287	I280-S285 WeakPolarHBondContact O-CB 3.41Å; G282-S285 WeakPolarHBondContact O-CB 3.1Å; G282-S285 PolarHBondContact O-N 3.38Å; G282-S285 PolarHBondContact O-OG 3.42Å; S285-A287 PolarHBondContact O-N 3.03Å
286	R	91	Very high	94.5	Very high	101 Å²	101	34.2 Å²	34.2	38%	0.381	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	10.2	-179.4	-49.7	-71.6	-172.8	152.1	-1.2	115.3	Y278 M279 W284	Y278-R286 WeakPolarHBondContact CE2-O 3.42Å; Y278-R286 VanDerWaalsContact CZ-CA 3.49Å; Y278-R286 VanDerWaalsContact OH-CA 3.29Å; Y278-R286 WeakPolarHBondContact OH-CA 3.39Å; Y278-R286 WeakPolarHBondContact OH-CB 3.38Å; Y278-R286 WeakPolarHBondContact OH-CD 3.33Å; M279-R286 PolarHBondContact O-N 3.48Å; W284-R286 PolarHBondContact O-N 3.4Å
287	A	95.2	Very high	94.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.2	C	C	.	.			trans	-97.6	156.8	170.2	0	0	0	0	0	112.4	I249 M251 Y278 M279 W284 S285 V306	I249-A287 HydrophobicContact CG2-CB 3.58Å; M251-A287 HydrophobicContact CG-CB 4.34Å; Y278-A287 WeakPolarHBondContact CD2-O 3.42Å; M279-A287 PolarHBondContact N-O 3.44Å; W284-A287 WeakPolarHBondContact O-CB 3.33Å; W284-A287 PolarHBondContact O-N 3.3Å; W284-A287 VanDerWaalsContact O-N 3.11Å; S285-A287 PolarHBondContact O-N 3.03Å; A287-V306 HydrophobicContact CB-CG2 3.95Å
288	W	96.3	Very high	94.2	Very high	22 Å²	22	44.6 Å²	44.6	8%	0.083	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.4	170.4	-69.9	84.3	0	0	0	109.3	F244 I249 W250 L272 P273 A276 Y277 Y278	F244-W288 HydrophobicContact CE1-CB 4.16Å; F244-W288 WeakPolarHBondContact CE1-O 3.38Å; F244-W288 HydrophobicContact CZ-CB 3.71Å; I249-W288 CarbonylContact C-O 3.55Å; I249-W288 VanDerWaalsContact CA-O 3.31Å; I249-W288 WeakPolarHBondContact CA-O 3.48Å; W250-W288 PolarHBondContact N-O 2.97Å; W250-W288 PolarHBondContact O-N 3.45Å; L272-W288 HydrophobicContact CB-CD2 3.87Å; L272-W288 HydrophobicContact CB-CE3 3.79Å; L272-W288 HydrophobicContact CB-CH2 3.67Å; L272-W288 HydrophobicContact CB-CZ2 3.76Å; L272-W288 HydrophobicContact CB-CZ3 3.69Å; L272-W288 HydrophobicContact CD1-CD2 3.98Å; L272-W288 HydrophobicContact CD1-CG 4.21Å; L272-W288 HydrophobicContact CD1-CZ2 3.91Å; L272-W288 HydrophobicContact CD2-CD2 4.4Å; L272-W288 HydrophobicContact CD2-CG 4.43Å; L272-W288 HydrophobicContact CG-CD2 4.32Å; L272-W288 HydrophobicContact CG-CZ2 4.47Å; P273-W288 HydrophobicContact CG-CH2 4.08Å; P273-W288 HydrophobicContact CG-CZ3 4.42Å; A276-W288 HydrophobicContact CB-CB 3.97Å; A276-W288 HydrophobicContact CB-CE3 3.94Å; A276-W288 WeakPolarHBondContact O-CZ3 3.34Å; Y277-W288 CarbonylContact O-C 3.38Å; Y277-W288 VanDerWaalsContact O-CA 3.31Å; Y277-W288 WeakPolarHBondContact O-CA 3.36Å; Y278-W288 AromaticContact CD2-CD1 3.82Å; Y278-W288 AromaticContact CD2-CD2 3.88Å; Y278-W288 HydrophobicContact CD2-CD2 3.88Å; Y278-W288 AromaticContact CD2-CE2 3.55Å; Y278-W288 HydrophobicContact CD2-CG 4.06Å; Y278-W288 HydrophobicContact CD2-CZ2 4.02Å; Y278-W288 AromaticContact CD2-NE1 3.48Å; Y278-W288 AromaticContact CE2-NE1 3.71Å; Y278-W288 HydrophobicContact CG-CZ2 4.5Å
289	V	97.2	Very high	94.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.5	-177.5	-175.7	0	0	0	0	109.1	P248 I249 A276 Y277 M279 Y291 Y293	P248-V289 WeakPolarHBondContact O-CA 3.33Å; I249-V289 HydrophobicContact CD1-CG2 4.42Å; I249-V289 HydrophobicContact CG1-CG1 4.16Å; I249-V289 HydrophobicContact CG1-CG2 4.1Å; I249-V289 HydrophobicContact CG2-CG2 4.16Å; A276-V289 CarbonylContact C-O 3.48Å; A276-V289 WeakPolarHBondContact CA-O 3.42Å; A276-V289 WeakPolarHBondContact CB-O 3.43Å; Y277-V289 HydrophobicContact CD1-CB 4.17Å; Y277-V289 WeakPolarHBondContact CD1-O 3.43Å; Y277-V289 HydrophobicContact CD2-CB 4.3Å; Y277-V289 HydrophobicContact CE1-CB 3.66Å; Y277-V289 HydrophobicContact CE1-CG1 3.62Å; Y277-V289 HydrophobicContact CE2-CB 3.83Å; Y277-V289 HydrophobicContact CE2-CG1 4.34Å; Y277-V289 HydrophobicContact CE2-CG2 4.16Å; Y277-V289 HydrophobicContact CG-CB 4.47Å; Y277-V289 VanDerWaalsContact CZ-CB 3.49Å; Y277-V289 PolarHBondContact N-O 3.37Å; Y277-V289 PolarHBondContact O-N 3.33Å; Y277-V289 WeakPolarHBondContact OH-CG1 3.43Å; M279-V289 HydrophobicContact CG-CG2 4.21Å; M279-V289 HydrophobicContact SD-CG2 4.36Å; V289-Y291 PolarHBondContact O-N 2.79Å; V289-Y293 HydrophobicContact CG1-CD1 3.77Å
290	R	97	Very high	94.1	Very high	86 Å²	86	48.4 Å²	48.4	33%	0.325	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	139.1	178.9	-165.7	-179.3	80.2	176.3	-5.2	110.6	F244 D245 P248 G292 Y293	F244-R290 HydrophobicContact CB-CB 4.31Å; F244-R290 HydrophobicContact CB-CG 4.17Å; F244-R290 HydrophobicContact CD1-CB 3.96Å; F244-R290 HydrophobicContact CG-CB 4.46Å; D245-R290 IonicContact OD1-CZ 2.79Å; D245-R290 IonicContact OD1-NH1 3.25Å; D245-R290 PolarHBondContact OD1-NH1 3.48Å; P248-R290 PolarHBondContact O-N 3.39Å; R290-G292 PolarHBondContact O-N 3.45Å; R290-Y293 PolarHBondContact O-N 3.33Å
291	Y	96.8	Very high	94.2	Very high	22 Å²	22	45.7 Å²	45.7	9%	0.086	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	138.6	174.6	-71.8	-62.4	0	0	0	112.3	Y206 P215 P218 P273 V275 A276 Y277 V289 Y293	Y206-Y291 AromaticContact CD2-CE1 3.73Å; Y206-Y291 HydrophobicContact CD2-CE1 3.73Å; Y206-Y291 HydrophobicContact CE2-CE1 4.25Å; P215-Y291 HydrophobicContact CB-CD1 3.89Å; P215-Y291 HydrophobicContact CB-CE1 3.87Å; P218-Y291 HydrophobicContact CB-CD2 4.17Å; P218-Y291 HydrophobicContact CB-CE2 3.51Å; P218-Y291 HydrophobicContact CG-CD2 4.37Å; P218-Y291 HydrophobicContact CG-CE2 4.17Å; P273-Y291 WeakPolarHBondContact O-CE2 3.4Å; P273-Y291 PolarHBondContact O-OH 3.07Å; V275-Y291 VanDerWaalsContact C-CE2 3.44Å; V275-Y291 WeakPolarHBondContact O-CD2 3.45Å; A276-Y291 VanDerWaalsContact C-CZ 3.46Å; A276-Y291 VanDerWaalsContact N-CE2 3.27Å; A276-Y291 PolarHBondContact O-OH 3.35Å; Y277-Y291 HydrophobicContact CD1-CD1 4.13Å; Y277-Y291 HydrophobicContact CD1-CE1 4.44Å; V289-Y291 PolarHBondContact O-N 2.79Å; Y291-Y293 VanDerWaalsContact C-N 3.26Å; Y291-Y293 PolarHBondContact O-N 2.66Å
292	G	94.8	Very high	94.4	Very high	54 Å²	54	37.7 Å²	37.7	56%	0.557	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.9	-7.9	-179.4	0	0	0	0	0	115.8	P215 R290	P215-G292 PolarHBondContact O-N 2.89Å; R290-G292 PolarHBondContact O-N 3.45Å
293	Y	96.5	Very high	94.6	Very high	38 Å²	38	41 Å²	41	15%	0.149	20%	0.197	C	C	.	.			trans	-95.9	131.5	171.8	-179.1	-102.6	0	0	0	110.3	T214 P248 I249 Y277 V289 R290 Y291 P295 D298 A301	T214-Y293 WeakPolarHBondContact CG2-O 3.3Å; P248-Y293 HydrophobicContact CB-CD1 3.56Å; P248-Y293 HydrophobicContact CB-CD2 4.17Å; P248-Y293 HydrophobicContact CB-CE1 3.69Å; P248-Y293 HydrophobicContact CB-CE2 4.32Å; P248-Y293 HydrophobicContact CB-CG 3.78Å; P248-Y293 HydrophobicContact CG-CD1 4.05Å; P248-Y293 HydrophobicContact CG-CD2 4.5Å; P248-Y293 HydrophobicContact CG-CE1 3.61Å; P248-Y293 HydrophobicContact CG-CE2 4.15Å; P248-Y293 HydrophobicContact CG-CG 4.44Å; I249-Y293 HydrophobicContact CD1-CE1 4.03Å; I249-Y293 HydrophobicContact CG1-CD1 4.37Å; I249-Y293 HydrophobicContact CG1-CE1 4.01Å; Y277-Y293 PolarHBondContact OH-O 2.94Å; V289-Y293 HydrophobicContact CG1-CD1 3.77Å; R290-Y293 PolarHBondContact O-N 3.33Å; Y291-Y293 VanDerWaalsContact C-N 3.26Å; Y291-Y293 PolarHBondContact O-N 2.66Å; Y293-P295 HydrophobicContact CE1-CB 3.99Å; Y293-D298 HydrophobicContact CE2-CB 4.33Å; Y293-D298 WeakPolarHBondContact CE2-OD2 3.29Å; Y293-D298 PolarHBondContact OH-OD2 3.41Å; Y293-A301 WeakPolarHBondContact OH-CB 3.47Å
294	D	95.1	Very high	94.6	Very high	18 Å²	18	43.1 Å²	43.1	10%	0.096	20%	0.204	C	C	.	.			trans	-119.5	104.3	178.2	-171.9	-4.6	0	0	0	110.3	T214 R296 K297	T214-D294 HydrophobicContact CG2-CB 4.2Å; T214-D294 PolarHBondContact OG1-OD2 2.96Å; T214-D294 VanDerWaalsContact OG1-OD2 3.13Å; D294-R296 PolarHBondContact O-N 3.17Å; D294-R296 VanDerWaalsContact O-N 3.15Å; D294-R296 VanDerWaalsContact OD1-CB 3.31Å; D294-R296 WeakPolarHBondContact OD1-CB 3.36Å; D294-R296 WeakPolarHBondContact OD1-CG 3.39Å; D294-R296 IonicContact OD1-CZ 2.93Å; D294-R296 PolarHBondContact OD1-N 3.09Å; D294-R296 VanDerWaalsContact OD1-N 3.12Å; D294-R296 IonicContact OD1-NE 3.61Å; D294-R296 PolarHBondContact OD1-NE 2.91Å; D294-R296 IonicContact OD1-NH2 2.8Å; D294-R296 IonicContact OD2-CZ 2.72Å; D294-R296 IonicContact OD2-NE 3.39Å; D294-R296 PolarHBondContact OD2-NE 3.34Å; D294-R296 IonicContact OD2-NH2 2.63Å; D294-R296 PolarHBondContact OD2-NH2 3.5Å; D294-R296 VanDerWaalsContact OD2-NH2 3.09Å; D294-K297 HydrophobicContact CB-CD 4.26Å; D294-K297 HydrophobicContact CB-CG 4.39Å; D294-K297 PolarHBondContact O-N 3.39Å; D294-K297 VanDerWaalsContact O-N 3.14Å; D294-K297 VanDerWaalsContact OD2-CE 3.31Å; D294-K297 WeakPolarHBondContact OD2-CE 3.3Å; D294-K297 IonicContact OD2-NZ 3.7Å
295	P	95.1	Very high	94.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-68.1	-15.7	-176.3	30.8	-37	0	0	0	112.9	I249 M279 W284 Y293 K297 D298 A301 W452	I249-P295 HydrophobicContact CD1-CB 3.7Å; I249-P295 HydrophobicContact CD1-CG 4.17Å; M279-P295 HydrophobicContact CE-CG 3.43Å; M279-P295 VanDerWaalsContact CE-CG 3.43Å; M279-P295 HydrophobicContact SD-CG 4.13Å; W284-P295 HydrophobicContact CD2-CB 3.76Å; W284-P295 HydrophobicContact CD2-CG 3.84Å; W284-P295 HydrophobicContact CE3-CB 3.84Å; W284-P295 HydrophobicContact CE3-CG 3.63Å; W284-P295 HydrophobicContact CG-CB 4.48Å; W284-P295 HydrophobicContact CG-CG 4.42Å; W284-P295 HydrophobicContact CH2-CB 3.74Å; W284-P295 HydrophobicContact CH2-CG 4.32Å; W284-P295 WeakPolarHBondContact CH2-O 3.44Å; W284-P295 HydrophobicContact CZ2-CB 3.68Å; W284-P295 HydrophobicContact CZ3-CB 3.8Å; W284-P295 HydrophobicContact CZ3-CG 3.85Å; Y293-P295 HydrophobicContact CE1-CB 3.99Å; P295-K297 PolarHBondContact O-N 3.45Å; P295-D298 PolarHBondContact O-N 3.05Å; P295-A301 HydrophobicContact CB-CB 3.58Å; P295-W452 PolarHBondContact O-NE1 2.96Å
296	R	93.2	Very high	94.9	Very high	41 Å²	41	42.1 Å²	42.1	16%	0.155	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-71.8	-12.5	175.8	-56	171.5	-67.8	-171.9	-4.6	113.4	L210 D212 T214 W284 D294 I446 W452	L210-R296 HydrophobicContact CD1-CG 3.99Å; L210-R296 WeakPolarHBondContact O-CD 3.43Å; L210-R296 PolarHBondContact O-NH1 3.01Å; D212-R296 VanDerWaalsContact O-CZ 3.3Å; D212-R296 PolarHBondContact O-NH1 3.42Å; D212-R296 PolarHBondContact O-NH2 3.02Å; T214-R296 PolarHBondContact OG1-NH2 3.46Å; W284-R296 HydrophobicContact CZ3-CG 4.29Å; D294-R296 PolarHBondContact O-N 3.17Å; D294-R296 VanDerWaalsContact O-N 3.15Å; D294-R296 VanDerWaalsContact OD1-CB 3.31Å; D294-R296 WeakPolarHBondContact OD1-CB 3.36Å; D294-R296 WeakPolarHBondContact OD1-CG 3.39Å; D294-R296 IonicContact OD1-CZ 2.93Å; D294-R296 PolarHBondContact OD1-N 3.09Å; D294-R296 VanDerWaalsContact OD1-N 3.12Å; D294-R296 IonicContact OD1-NE 3.61Å; D294-R296 PolarHBondContact OD1-NE 2.91Å; D294-R296 IonicContact OD1-NH2 2.8Å; D294-R296 IonicContact OD2-CZ 2.72Å; D294-R296 IonicContact OD2-NE 3.39Å; D294-R296 PolarHBondContact OD2-NE 3.34Å; D294-R296 IonicContact OD2-NH2 2.63Å; D294-R296 PolarHBondContact OD2-NH2 3.5Å; D294-R296 VanDerWaalsContact OD2-NH2 3.09Å; R296-I446 HydrophobicContact CB-CD1 4.29Å; R296-I446 HydrophobicContact CB-CG2 4.48Å; R296-I446 HydrophobicContact CG-CD1 4.09Å; R296-W452 WeakPolarHBondContact O-CZ2 3.19Å
297	K	92.5	Very high	95.1	Very high	167 Å²	167	37.3 Å²	37.3	73%	0.726	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-109.9	-6.8	-179.2	-62	180	-176.1	173.9	0	113	D294 P295	D294-K297 HydrophobicContact CB-CD 4.26Å; D294-K297 HydrophobicContact CB-CG 4.39Å; D294-K297 PolarHBondContact O-N 3.39Å; D294-K297 VanDerWaalsContact O-N 3.14Å; D294-K297 VanDerWaalsContact OD2-CE 3.31Å; D294-K297 WeakPolarHBondContact OD2-CE 3.3Å; D294-K297 IonicContact OD2-NZ 3.7Å; P295-K297 PolarHBondContact O-N 3.45Å
298	D	93.6	Very high	95	Very high	52 Å²	52	39.3 Å²	39.3	28%	0.278	19%	0.189	S	C	.	.			trans	-118.7	104.2	-176	178.9	10.5	0	0	0	109.9	Y293 P295 E300 A301 W452	Y293-D298 HydrophobicContact CE2-CB 4.33Å; Y293-D298 WeakPolarHBondContact CE2-OD2 3.29Å; Y293-D298 PolarHBondContact OH-OD2 3.41Å; P295-D298 PolarHBondContact O-N 3.05Å; D298-E300 PolarHBondContact O-N 3.23Å; D298-E300 VanDerWaalsContact O-N 3.17Å; D298-E300 WeakPolarHBondContact OD1-CB 3.34Å; D298-E300 PolarHBondContact OD1-N 3.05Å; D298-A301 HydrophobicContact CB-CB 4.31Å; D298-A301 WeakPolarHBondContact O-CB 3.46Å; D298-A301 PolarHBondContact O-N 3.22Å; D298-W452 PolarHBondContact O-NE1 2.93Å; D298-W452 VanDerWaalsContact O-NE1 3.08Å
299	P	93.6	Very high	94.7	Very high	45 Å²	45	38.8 Å²	38.8	29%	0.292	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-57.4	-26.2	177.3	-26.7	35.9	0	0	0	114.4	A301 R302 P441 W452	P299-A301 PolarHBondContact O-N 3.02Å; P299-R302 WeakPolarHBondContact O-CB 3.29Å; P299-R302 WeakPolarHBondContact O-CD 2.96Å; P299-R302 WeakPolarHBondContact O-CG 3.45Å; P299-R302 PolarHBondContact O-N 3.24Å; P299-P441 HydrophobicContact CB-CB 3.78Å; P299-P441 HydrophobicContact CB-CG 3.8Å; P299-W452 HydrophobicContact CB-CD2 4.23Å; P299-W452 HydrophobicContact CB-CE3 4.27Å; P299-W452 HydrophobicContact CG-CD2 4.49Å; P299-W452 HydrophobicContact CG-CE3 4.34Å; P299-W452 HydrophobicContact CG-CH2 4.15Å; P299-W452 HydrophobicContact CG-CZ2 4.24Å; P299-W452 HydrophobicContact CG-CZ3 4.2Å
300	E	93.2	Very high	94.3	Very high	74 Å²	74	45 Å²	45	35%	0.346	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-72.5	-17.8	177	-70.7	-59.1	122	0	0	112.6	D298 R302 R303	D298-E300 PolarHBondContact O-N 3.23Å; D298-E300 VanDerWaalsContact O-N 3.17Å; D298-E300 WeakPolarHBondContact OD1-CB 3.34Å; D298-E300 PolarHBondContact OD1-N 3.05Å; E300-R302 PolarHBondContact O-N 3.38Å; E300-R303 PolarHBondContact O-N 2.99Å; E300-R303 VanDerWaalsContact O-N 3.16Å; E300-R303 IonicContact OE2-CZ 2.69Å; E300-R303 IonicContact OE2-NE 3.31Å; E300-R303 PolarHBondContact OE2-NE 3.46Å; E300-R303 IonicContact OE2-NH2 3.77Å; E300-R303 PolarHBondContact OE2-NH2 3.36Å
301	A	94.7	Very high	93.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-60	-13.8	173.9	0	0	0	0	0	113	W284 Y293 P295 D298 P299 R303 Y304	W284-A301 HydrophobicContact CH2-CB 4.43Å; W284-A301 HydrophobicContact CZ2-CB 3.62Å; W284-A301 PolarHBondContact NE1-O 3.27Å; Y293-A301 WeakPolarHBondContact OH-CB 3.47Å; P295-A301 HydrophobicContact CB-CB 3.58Å; D298-A301 HydrophobicContact CB-CB 4.31Å; D298-A301 WeakPolarHBondContact O-CB 3.46Å; D298-A301 PolarHBondContact O-N 3.22Å; P299-A301 PolarHBondContact O-N 3.02Å; A301-R303 PolarHBondContact O-N 3.17Å; A301-Y304 WeakPolarHBondContact O-CA 3.3Å; A301-Y304 PolarHBondContact O-N 2.89Å
302	R	94.3	Very high	92.2	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.026	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-51.3	-35.9	172.1	78.6	-172.2	178.3	160.6	-0.3	113.1	P299 E300 Y304 Q305 L437 E439 W452	P299-R302 WeakPolarHBondContact O-CB 3.29Å; P299-R302 WeakPolarHBondContact O-CD 2.96Å; P299-R302 WeakPolarHBondContact O-CG 3.45Å; P299-R302 PolarHBondContact O-N 3.24Å; E300-R302 PolarHBondContact O-N 3.38Å; R302-Y304 PolarHBondContact O-N 2.98Å; R302-Y304 VanDerWaalsContact O-N 3.13Å; R302-Q305 WeakPolarHBondContact O-CB 3.48Å; R302-Q305 WeakPolarHBondContact O-CG 3.47Å; R302-Q305 PolarHBondContact O-N 3.43Å; R302-Q305 VanDerWaalsContact O-N 3.13Å; R302-L437 HydrophobicContact CG-CD2 4.5Å; R302-L437 VanDerWaalsContact NH2-C 3.26Å; R302-L437 PolarHBondContact NH2-O 3.1Å; R302-E439 PolarHBondContact NH1-O 3.35Å; R302-E439 PolarHBondContact NH2-O 2.67Å; R302-W452 HydrophobicContact CB-CB 3.64Å
303	R	95.1	Very high	90.9	Very high	93 Å²	93	43.4 Å²	43.4	35%	0.351	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-60.8	-25.4	178.9	-61.6	176.2	-169.8	-109.9	0.8	111.3	E300 A301 S426	E300-R303 PolarHBondContact O-N 2.99Å; E300-R303 VanDerWaalsContact O-N 3.16Å; E300-R303 IonicContact OE2-CZ 2.69Å; E300-R303 IonicContact OE2-NE 3.31Å; E300-R303 PolarHBondContact OE2-NE 3.46Å; E300-R303 IonicContact OE2-NH2 3.77Å; E300-R303 PolarHBondContact OE2-NH2 3.36Å; A301-R303 PolarHBondContact O-N 3.17Å; R303-S426 WeakPolarHBondContact O-CB 3.39Å; R303-S426 PolarHBondContact O-N 3.35Å
304	Y	96.3	Very high	89.5	Confident	51 Å²	51	48.9 Å²	48.9	20%	0.2	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-100.9	3.9	-176.6	-51.8	-52.8	0	0	0	114.4	R247 P248 I249 W284 A301 R302 C424	R247-Y304 HydrophobicContact CG-CD1 4Å; R247-Y304 HydrophobicContact CG-CE1 3.63Å; P248-Y304 HydrophobicContact CG-CD2 4.25Å; P248-Y304 HydrophobicContact CG-CE2 3.96Å; I249-Y304 HydrophobicContact CB-CG 4.3Å; I249-Y304 HydrophobicContact CD1-CD2 4.38Å; I249-Y304 HydrophobicContact CG1-CD2 4.49Å; W284-Y304 VanDerWaalsContact CD1-C 3.47Å; A301-Y304 WeakPolarHBondContact O-CA 3.3Å; A301-Y304 PolarHBondContact O-N 2.89Å; R302-Y304 PolarHBondContact O-N 2.98Å; R302-Y304 VanDerWaalsContact O-N 3.13Å; Y304-C424 VanDerWaalsContact C-SG 3.54Å; Y304-C424 WeakPolarHBondContact CA-SG 3.35Å; Y304-C424 PolarHBondContact O-SG 3.17Å
305	Q	96.1	Very high	87.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.226	C	C	.	.			trans	-58.4	150.9	175.9	-75.3	177.2	-151.2	0	0	111.1	P283 W284 R302 C424 L425 D450	P283-Q305 HydrophobicContact CB-CG 3.73Å; P283-Q305 CarbonylContact O-C 3.54Å; P283-Q305 WeakPolarHBondContact O-CA 3.45Å; W284-Q305 HydrophobicContact CD2-CG 4.48Å; W284-Q305 HydrophobicContact CZ2-CG 3.97Å; R302-Q305 WeakPolarHBondContact O-CB 3.48Å; R302-Q305 WeakPolarHBondContact O-CG 3.47Å; R302-Q305 PolarHBondContact O-N 3.43Å; R302-Q305 VanDerWaalsContact O-N 3.13Å; Q305-C424 CarbonylContact O-C 3.59Å; Q305-C424 WeakPolarHBondContact O-CA 3.28Å; Q305-L425 HydrophobicContact CB-CD1 3.81Å; Q305-L425 HydrophobicContact CB-CG 4.07Å; Q305-L425 WeakPolarHBondContact O-CG 3.29Å; Q305-L425 PolarHBondContact O-N 3.39Å; Q305-D450 PolarHBondContact NE2-O 2.65Å; Q305-D450 PolarHBondContact OE1-O 3.03Å
306	V	96	Very high	86.3	Confident	13 Å²	13	50.8 Å²	50.8	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.4	-176.9	-179.9	0	0	0	0	109.4	M251 P283 A287 R422 Y423	M251-V306 HydrophobicContact CG-CG2 4.19Å; M251-V306 HydrophobicContact SD-CG1 3.81Å; M251-V306 HydrophobicContact SD-CG2 3.96Å; P283-V306 PolarHBondContact O-N 3.24Å; A287-V306 HydrophobicContact CB-CG2 3.95Å; V306-R422 HydrophobicContact CG1-CB 3.89Å; V306-R422 HydrophobicContact CG1-CG 4.42Å; V306-Y423 CarbonylContact C-O 3.45Å; V306-Y423 WeakPolarHBondContact CA-O 3.02Å
307	I	94.7	Very high	84.9	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.6	173.8	-168.7	168.8	0	0	0	110.6	R422 Y423 L425 I428 I458 I461 R462 L465	I307-R422 VanDerWaalsContact O-CA 3.29Å; I307-R422 WeakPolarHBondContact O-CA 3.35Å; I307-Y423 PolarHBondContact N-O 3.02Å; I307-Y423 PolarHBondContact O-N 2.78Å; I307-L425 HydrophobicContact CB-CD2 4.12Å; I307-L425 HydrophobicContact CG2-CD2 3.96Å; I307-I428 HydrophobicContact CG2-CD1 3.83Å; I307-I458 HydrophobicContact CD1-CG2 4.15Å; I307-I458 HydrophobicContact CG1-CG2 4.23Å; I307-I461 HydrophobicContact CD1-CB 3.96Å; I307-I461 HydrophobicContact CD1-CG2 3.64Å; I307-R462 HydrophobicContact CD1-CB 4.1Å; I307-L465 HydrophobicContact CD1-CD1 4.11Å; I307-L465 HydrophobicContact CG2-CD1 4.22Å
308	D	92	Very high	83.6	Confident	42 Å²	42	50.1 Å²	50.1	23%	0.225	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.5	169.1	-165.8	-50.1	0	0	0	109.3	R310 Q420 R422 R462	D308-R310 WeakPolarHBondContact OD1-CG 3.42Å; D308-R310 IonicContact OD1-NE 2.74Å; D308-R310 PolarHBondContact OD1-NE 2.82Å; D308-Q420 WeakPolarHBondContact OD1-CG 3.14Å; D308-Q420 PolarHBondContact OD1-NE2 2.58Å; D308-Q420 PolarHBondContact OD2-NE2 3.41Å; D308-R422 HydrophobicContact CB-CG 4.5Å; D308-R422 IonicContact OD2-NE 3.6Å; D308-R462 PolarHBondContact O-NE 3.01Å
309	F	90.9	Very high	82.2	Confident	11 Å²	11	51.6 Å²	51.6	5%	0.048	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.7	178.6	-176.1	-112.9	0	0	0	110.2	V311 F410 P416 Q420 V421 Y423 R462 L465 L469	F309-V311 HydrophobicContact CD1-CG2 4.11Å; F309-V311 HydrophobicContact CE1-CG2 3.54Å; F309-V311 HydrophobicContact CZ-CG2 4.24Å; F309-F410 HydrophobicContact CD1-CE2 4.47Å; F309-F410 HydrophobicContact CE1-CE2 4.15Å; F309-P416 HydrophobicContact CD1-CG 3.98Å; F309-P416 HydrophobicContact CE1-CG 3.88Å; F309-Q420 WeakPolarHBondContact O-CA 3.39Å; F309-V421 PolarHBondContact N-O 2.95Å; F309-V421 PolarHBondContact O-N 2.8Å; F309-Y423 HydrophobicContact CB-CD2 4.33Å; F309-Y423 HydrophobicContact CB-CE2 4.38Å; F309-Y423 HydrophobicContact CD1-CE2 4.45Å; F309-R462 HydrophobicContact CD2-CG 4.21Å; F309-L465 HydrophobicContact CB-CD1 4.07Å; F309-L465 HydrophobicContact CD2-CB 3.7Å; F309-L465 HydrophobicContact CD2-CD1 3.79Å; F309-L465 HydrophobicContact CD2-CG 4.4Å; F309-L465 HydrophobicContact CE2-CB 3.5Å; F309-L465 VanDerWaalsContact CE2-CB 3.5Å; F309-L465 HydrophobicContact CE2-CD1 4.46Å; F309-L465 HydrophobicContact CG-CB 4.33Å; F309-L465 HydrophobicContact CG-CD1 3.98Å; F309-L465 HydrophobicContact CZ-CB 3.96Å; F309-L469 HydrophobicContact CE1-CD2 3.93Å; F309-L469 HydrophobicContact CZ-CD2 4.08Å
310	R	88.2	Confident	80.8	Confident	129 Å²	129	49.7 Å²	49.7	49%	0.487	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.8	-178.1	-62.6	-175.4	-174.2	-177.3	3.8	111.6	D308 H419 Q420	D308-R310 WeakPolarHBondContact OD1-CG 3.42Å; D308-R310 IonicContact OD1-NE 2.74Å; D308-R310 PolarHBondContact OD1-NE 2.82Å; R310-H419 CarbonylContact C-O 3.58Å; R310-H419 VanDerWaalsContact CA-O 3.22Å; R310-H419 WeakPolarHBondContact CA-O 3.46Å; R310-Q420 HydrophobicContact CG-CB 4.19Å; R310-Q420 HydrophobicContact CG-CG 3.95Å; R310-Q420 VanDerWaalsContact NH2-NE2 3.2Å
311	V	81.8	Confident	79.3	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.042	22%	0.218	C	C	.	.			trans	-97.8	94.2	178.2	-177.5	0	0	0	0	108.8	F309 V316 V317 L320 P416 H419 L469	F309-V311 HydrophobicContact CD1-CG2 4.11Å; F309-V311 HydrophobicContact CE1-CG2 3.54Å; F309-V311 HydrophobicContact CZ-CG2 4.24Å; V311-V316 HydrophobicContact CG1-CB 3.93Å; V311-V316 HydrophobicContact CG1-CG1 3.64Å; V311-V317 HydrophobicContact CB-CG2 4.44Å; V311-V317 HydrophobicContact CG1-CG2 4.17Å; V311-L320 HydrophobicContact CG1-CD1 4.21Å; V311-P416 HydrophobicContact CG2-CB 4.34Å; V311-P416 HydrophobicContact CG2-CG 4.34Å; V311-H419 PolarHBondContact N-O 3.5Å; V311-H419 PolarHBondContact O-CD2 3.13Å; V311-L469 HydrophobicContact CG1-CD2 4.44Å; V311-L469 HydrophobicContact CG2-CD2 3.88Å
312	Q	69.1	Low	77.7	Confident	117 Å²	117	54.2 Å²	54.2	55%	0.547	25%	0.245	S	C	.	.			trans	-73.3	-27.9	-173.2	-66.7	-176.1	-10	0	0	114.2	Y314	Q312-Y314 PolarHBondContact O-N 2.98Å
313	A	67.9	Low	75.9	Confident	6 Å²	6	57.8 Å²	57.8	5%	0.05	26%	0.261	C	S	.	.			trans	-71.9	107.4	-176.3	0	0	0	0	0	110.9	M315 V316 V317 L361	A313-M315 PolarHBondContact O-N 2.96Å; A313-M315 VanDerWaalsContact O-N 3.09Å; A313-V316 HydrophobicContact CB-CB 4.02Å; A313-V316 HydrophobicContact CB-CG2 3.7Å; A313-V316 WeakPolarHBondContact O-CA 3.47Å; A313-V316 WeakPolarHBondContact O-CB 3.27Å; A313-V316 PolarHBondContact O-N 3.31Å; A313-V317 PolarHBondContact O-N 3.2Å; A313-L361 HydrophobicContact CB-CD1 4.3Å
314	Y	65.4	Low	73.9	Confident	153 Å²	153	55 Å²	55	60%	0.6	26%	0.257	S	S	*	.	H	α-helix	trans	-52.8	-34	178	76.5	-82.8	0	0	0	112.6	Q312 V317 R318	Q312-Y314 PolarHBondContact O-N 2.98Å; Y314-V317 PolarHBondContact O-N 2.94Å; Y314-R318 WeakPolarHBondContact O-CB 3.25Å; Y314-R318 PolarHBondContact O-N 2.96Å
315	M	57.1	Low	71.7	Confident	58 Å²	58	56.3 Å²	56.3	29%	0.286	27%	0.273	S	S	.	.	H	α-helix	trans	-67.1	-37.5	176.3	-69.8	-66.6	-80.7	0	0	112.4	A313 R318 K319 F357	A313-M315 PolarHBondContact O-N 2.96Å; A313-M315 VanDerWaalsContact O-N 3.09Å; M315-R318 WeakPolarHBondContact O-CB 3.39Å; M315-R318 PolarHBondContact O-N 3.21Å; M315-K319 PolarHBondContact O-N 2.83Å; M315-F357 HydrophobicContact CB-CE2 4.27Å
316	V	65.7	Low	69.3	Low	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-69.8	-44.1	175.8	177.7	0	0	0	0	109.7	V311 A313 R318 K319 L320 F357 L361 L469 I473	V311-V316 HydrophobicContact CG1-CB 3.93Å; V311-V316 HydrophobicContact CG1-CG1 3.64Å; A313-V316 HydrophobicContact CB-CB 4.02Å; A313-V316 HydrophobicContact CB-CG2 3.7Å; A313-V316 WeakPolarHBondContact O-CA 3.47Å; A313-V316 WeakPolarHBondContact O-CB 3.27Å; A313-V316 PolarHBondContact O-N 3.31Å; V316-R318 PolarHBondContact O-N 3.16Å; V316-K319 PolarHBondContact O-N 2.95Å; V316-L320 HydrophobicContact CG1-CD1 3.67Å; V316-L320 HydrophobicContact CG1-CG 4.05Å; V316-L320 VanDerWaalsContact O-CB 3.3Å; V316-L320 WeakPolarHBondContact O-CB 3.22Å; V316-L320 WeakPolarHBondContact O-CD1 3.4Å; V316-L320 WeakPolarHBondContact O-CG 3.46Å; V316-L320 PolarHBondContact O-N 2.84Å; V316-F357 HydrophobicContact CG2-CE2 3.8Å; V316-F357 HydrophobicContact CG2-CZ 4.02Å; V316-L361 HydrophobicContact CG2-CD1 3.68Å; V316-L469 HydrophobicContact CG1-CD2 4.49Å; V316-I473 HydrophobicContact CG1-CD1 3.45Å; V316-I473 VanDerWaalsContact CG1-CD1 3.45Å; V316-I473 HydrophobicContact CG2-CD1 4.37Å
317	V	64.8	Low	66.9	Low	29 Å²	29	68.9 Å²	68.9	18%	0.176	34%	0.336	C	S	.	.	H	α-helix	trans	-56	-41.6	171.8	179.9	0	0	0	0	110.5	V311 A313 Y314 L320 L321 H419	V311-V317 HydrophobicContact CB-CG2 4.44Å; V311-V317 HydrophobicContact CG1-CG2 4.17Å; A313-V317 PolarHBondContact O-N 3.2Å; Y314-V317 PolarHBondContact O-N 2.94Å; V317-L320 PolarHBondContact O-N 2.69Å; V317-L321 HydrophobicContact CG1-CD1 3.95Å; V317-L321 HydrophobicContact CG1-CG 4.32Å; V317-L321 WeakPolarHBondContact O-CB 3.22Å; V317-L321 WeakPolarHBondContact O-CG 3.44Å; V317-L321 PolarHBondContact O-N 3.41Å; V317-H419 HydrophobicContact CG2-CB 4.36Å
318	R	65.8	Low	64.2	Low	165 Å²	165	74 Å²	74	62%	0.623	36%	0.358	S	S	*	.	H	α-helix	trans	-64.5	-45.6	176.6	-163.6	178.2	-177.2	-170.1	2.1	112.6	Y314 M315 V316 L321 C322	Y314-R318 WeakPolarHBondContact O-CB 3.25Å; Y314-R318 PolarHBondContact O-N 2.96Å; M315-R318 WeakPolarHBondContact O-CB 3.39Å; M315-R318 PolarHBondContact O-N 3.21Å; V316-R318 PolarHBondContact O-N 3.16Å; R318-L321 PolarHBondContact O-N 2.92Å; R318-C322 PolarHBondContact O-N 3.28Å; R318-C322 PolarHBondContact O-SG 3.44Å
319	K	63.7	Low	61.1	Low	82 Å²	82	83.8 Å²	83.8	36%	0.357	39%	0.392	S	S	.	.	H	α-helix	trans	-62.4	-41.8	174.6	-76.2	-165.2	176.7	-164	0	111.6	M315 V316 L321 C322 H323 I473 D477	M315-K319 PolarHBondContact O-N 2.83Å; V316-K319 PolarHBondContact O-N 2.95Å; K319-L321 PolarHBondContact O-N 3.2Å; K319-C322 WeakPolarHBondContact O-CB 3.47Å; K319-C322 PolarHBondContact O-N 3.41Å; K319-H323 PolarHBondContact O-N 3.1Å; K319-I473 HydrophobicContact CD-CG2 4.37Å; K319-D477 IonicContact NZ-OD1 3.88Å; K319-D477 PolarHBondContact NZ-OD1 2.7Å; K319-D477 IonicContact NZ-OD2 2.79Å; K319-D477 PolarHBondContact NZ-OD2 3.28Å
320	L	63.7	Low	58	Low	5 Å²	5	91.3 Å²	91.3	3%	0.026	43%	0.43	C	S	.	.	H	α-helix	trans	-61.6	-42.5	176.5	-71.9	166.6	0	0	0	112	V311 V316 V317 H323 S324 W415 P416 L469	V311-L320 HydrophobicContact CG1-CD1 4.21Å; V316-L320 HydrophobicContact CG1-CD1 3.67Å; V316-L320 HydrophobicContact CG1-CG 4.05Å; V316-L320 VanDerWaalsContact O-CB 3.3Å; V316-L320 WeakPolarHBondContact O-CB 3.22Å; V316-L320 WeakPolarHBondContact O-CD1 3.4Å; V316-L320 WeakPolarHBondContact O-CG 3.46Å; V316-L320 PolarHBondContact O-N 2.84Å; V317-L320 PolarHBondContact O-N 2.69Å; L320-H323 PolarHBondContact O-N 3.06Å; L320-S324 WeakPolarHBondContact O-CB 3.36Å; L320-S324 PolarHBondContact O-N 3.06Å; L320-S324 PolarHBondContact O-OG 3.33Å; L320-W415 HydrophobicContact CD2-CB 3.56Å; L320-W415 HydrophobicContact CD2-CD2 4.24Å; L320-W415 HydrophobicContact CD2-CE3 3.6Å; L320-W415 HydrophobicContact CD2-CG 4.3Å; L320-P416 WeakPolarHBondContact CD1-O 3.41Å; L320-P416 WeakPolarHBondContact CD2-O 3.37Å; L320-L469 HydrophobicContact CD2-CD1 4.36Å
321	L	62.5	Low	55.2	Low	87 Å²	87	92.5 Å²	92.5	46%	0.455	45%	0.445	S	S	.	.	H	α-helix	trans	-66	-37.9	175.7	-72.1	170.5	0	0	0	111.7	V317 R318 K319 S324 S325	V317-L321 HydrophobicContact CG1-CD1 3.95Å; V317-L321 HydrophobicContact CG1-CG 4.32Å; V317-L321 WeakPolarHBondContact O-CB 3.22Å; V317-L321 WeakPolarHBondContact O-CG 3.44Å; V317-L321 PolarHBondContact O-N 3.41Å; R318-L321 PolarHBondContact O-N 2.92Å; K319-L321 PolarHBondContact O-N 3.2Å; L321-S324 PolarHBondContact O-N 3.16Å; L321-S325 VanDerWaalsContact O-CB 3.29Å; L321-S325 WeakPolarHBondContact O-CB 2.89Å; L321-S325 PolarHBondContact O-N 3.17Å; L321-S325 PolarHBondContact O-OG 3.26Å
322	C	60	Low	52.7	Low	82 Å²	82	96.5 Å²	96.5	55%	0.554	47%	0.472	S	S	*	.	H	α-helix	trans	-63.8	-44.1	173.3	-68.9	0	0	0	0	111.8	R318 K319 S324 S325 S326	R318-C322 PolarHBondContact O-N 3.28Å; R318-C322 PolarHBondContact O-SG 3.44Å; K319-C322 WeakPolarHBondContact O-CB 3.47Å; K319-C322 PolarHBondContact O-N 3.41Å; C322-S324 VanDerWaalsContact C-N 3.34Å; C322-S324 PolarHBondContact O-N 2.98Å; C322-S325 PolarHBondContact O-N 3.31Å; C322-S326 PolarHBondContact O-N 3.12Å; C322-S326 PolarHBondContact O-OG 3.35Å
323	H	56.9	Low	51	Low	82 Å²	82	95.1 Å²	95.1	38%	0.38	47%	0.472	S	S	.	.	H	α-helix	trans	-65.7	-37.2	178.7	-134.9	76.8	0	0	0	112.1	K319 L320	K319-H323 PolarHBondContact O-N 3.1Å; L320-H323 PolarHBondContact O-N 3.06Å
324	S	53.1	Low	49.2	Very low	36 Å²	36	100.1 Å²	100.1	25%	0.252	50%	0.498	S	S	.	.	H	α-helix	trans	-73.9	-36.1	177.5	-61.2	0	0	0	0	113.1	L320 L321 C322 S326 R327 K328	L320-S324 WeakPolarHBondContact O-CB 3.36Å; L320-S324 PolarHBondContact O-N 3.06Å; L320-S324 PolarHBondContact O-OG 3.33Å; L321-S324 PolarHBondContact O-N 3.16Å; C322-S324 VanDerWaalsContact C-N 3.34Å; C322-S324 PolarHBondContact O-N 2.98Å; S324-S326 VanDerWaalsContact C-N 3.32Å; S324-S326 PolarHBondContact O-N 2.88Å; S324-R327 PolarHBondContact O-N 3.47Å; S324-R327 VanDerWaalsContact O-N 3.11Å; S324-K328 PolarHBondContact O-N 3.17Å
325	S	50	Low	47.7	Very low	78 Å²	78	96.6 Å²	96.6	55%	0.545	50%	0.5	S	S	.	.	H	α-helix	trans	-67.3	-32	179.1	-60.6	0	0	0	0	112.4	L321 C322 R327 K328	L321-S325 VanDerWaalsContact O-CB 3.29Å; L321-S325 WeakPolarHBondContact O-CB 2.89Å; L321-S325 PolarHBondContact O-N 3.17Å; L321-S325 PolarHBondContact O-OG 3.26Å; C322-S325 PolarHBondContact O-N 3.31Å; S325-R327 PolarHBondContact O-N 3.02Å; S325-K328 CarbonylContact O-C 3.56Å; S325-K328 PolarHBondContact O-N 2.76Å
326	S	46.4	Very low	46.7	Very low	112 Å²	112	98.6 Å²	98.6	78%	0.783	51%	0.512	S	S	*	.	H	α-helix	trans	-66.2	-25.8	172.6	-67.2	0	0	0	0	113	C322 S324	C322-S326 PolarHBondContact O-N 3.12Å; C322-S326 PolarHBondContact O-OG 3.35Å; S324-S326 VanDerWaalsContact C-N 3.32Å; S324-S326 PolarHBondContact O-N 2.88Å
327	R	44.5	Very low	45.1	Very low	165 Å²	165	104 Å²	104	62%	0.623	54%	0.536	S	S	*	.	H	α-helix	trans	-92.6	-16.2	174.6	-66	-171.9	-166.1	172.9	7.9	113.9	S324 S325 N413	S324-R327 PolarHBondContact O-N 3.47Å; S324-R327 VanDerWaalsContact O-N 3.11Å; S325-R327 PolarHBondContact O-N 3.02Å; R327-N413 PolarHBondContact NH1-O 2.98Å
328	K	37.7	Very low	43.6	Very low	108 Å²	108	112.4 Å²	112.4	47%	0.47	56%	0.564	S	S	.	*			trans	-130.1	82.9	-177.5	-72.7	-176.6	173.9	-174.3	0	111.8	S324 S325 K404	S324-K328 PolarHBondContact O-N 3.17Å; S325-K328 CarbonylContact O-C 3.56Å; S325-K328 PolarHBondContact O-N 2.76Å; K328-K404 PolarHBondContact NZ-O 2.92Å
329	R	27.2	Very low	42.1	Very low	247 Å²	247	109.7 Å²	109.7	93%	0.932	57%	0.565	S	S	*	*			trans	-66.6	128.8	146.2	-100.4	-179.3	-86.7	-176.2	-5.5	106.4
330	M	27.2	Very low	40.7	Very low	170 Å²	170	111.6 Å²	111.6	84%	0.837	58%	0.579	S	S	*	*	S	Bend	trans	96.2	93.6	169.5	-143.2	165.2	81.6	0	0	115.3
331	L	29.1	Very low	39.3	Very low	153 Å²	153	114.2 Å²	114.2	80%	0.801	60%	0.601	S	S	*	*			trans	152.9	64	138.9	-78	164.3	0	0	0	110.3
332	C	28	Very low	38	Very low	91 Å²	91	117 Å²	117	62%	0.615	62%	0.616	S	S	*	*			trans	-102.6	111.4	155	-71.2	0	0	0	0	106.7
333	T	33.9	Very low	36.7	Very low	89 Å²	89	117.8 Å²	117.8	55%	0.546	62%	0.622	S	S	.	*			trans	-61.9	145.6	165.3	50	0	0	0	0	109.3	A335 N336	T333-A335 PolarHBondContact O-N 2.87Å; T333-N336 PolarHBondContact O-N 3.25Å
334	D	29.9	Very low	35.7	Very low	111 Å²	111	124.8 Å²	124.8	59%	0.594	65%	0.645	S	S	*	*	H	α-helix	trans	-63.3	-12.3	-169	-88.9	-27.5	0	0	0	114.9	K337	D334-K337 WeakPolarHBondContact OD1-CD 3.46Å; D334-K337 IonicContact OD1-NZ 3.38Å; D334-K337 PolarHBondContact OD1-NZ 3.21Å
335	A	34.6	Very low	34.7	Very low	78 Å²	78	132.3 Å²	132.3	65%	0.645	67%	0.673	S	S	*	*	H	α-helix	trans	-67.6	-35.7	176.2	0	0	0	0	0	113	T333	T333-A335 PolarHBondContact O-N 2.87Å
336	N	35.2	Very low	33.8	Very low	101 Å²	101	134.8 Å²	134.8	54%	0.54	69%	0.691	S	S	.	*	H	α-helix	trans	-85	-13.6	-178.9	-76.5	-28.1	0	0	0	113.9	T333 R338	T333-N336 PolarHBondContact O-N 3.25Å; N336-R338 VanDerWaalsContact C-N 3.31Å; N336-R338 PolarHBondContact O-N 3.45Å
337	K	33	Very low	33	Very low	114 Å²	114	140.1 Å²	140.1	50%	0.496	70%	0.695	S	S	.	*	H	α-helix	trans	-70	-26.6	176.6	-76.3	-174.3	-166.2	150.7	0	113.1	D334 A341	D334-K337 WeakPolarHBondContact OD1-CD 3.46Å; D334-K337 IonicContact OD1-NZ 3.38Å; D334-K337 PolarHBondContact OD1-NZ 3.21Å; K337-A341 WeakPolarHBondContact O-CB 3.46Å; K337-A341 PolarHBondContact O-N 2.94Å
338	R	33.6	Very low	32.2	Very low	204 Å²	204	141.2 Å²	141.2	77%	0.77	71%	0.707	S	S	*	*	H	α-helix	trans	-73.7	-33.4	-179.1	-69.5	-174.2	-167.9	152.8	5.3	112.8	N336	N336-R338 VanDerWaalsContact C-N 3.31Å; N336-R338 PolarHBondContact O-N 3.45Å
339	V	34.7	Very low	31.9	Very low	108 Å²	108	141.3 Å²	141.3	66%	0.655	72%	0.722	S	S	*	*	H	α-helix	trans	-75.6	-33.3	178	-177.9	0	0	0	0	111.9
340	L	34.5	Very low	32.2	Very low	123 Å²	123	133.9 Å²	133.9	64%	0.644	70%	0.704	S	S	*	*	H	α-helix	trans	-81.1	-18	178.8	-80.9	159.6	0	0	0	114.1
341	A	33.5	Very low	32.6	Very low	60 Å²	60	134.2 Å²	134.2	50%	0.496	70%	0.703	S	S	.	*	H	α-helix	trans	-75.1	-27.7	178.2	0	0	0	0	0	113.2	K337	K337-A341 WeakPolarHBondContact O-CB 3.46Å; K337-A341 PolarHBondContact O-N 2.94Å
342	D	34.2	Very low	32.8	Very low	144 Å²	144	132.2 Å²	132.2	77%	0.77	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-81.6	-16	-178.9	-92.1	-21.8	0	0	0	114.2	R344	D342-R344 PolarHBondContact O-N 2.96Å
343	C	34.6	Very low	33.6	Very low	100 Å²	100	136 Å²	136	68%	0.676	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-81.5	12	176	-69.1	0	0	0	0	114.5
344	R	34.5	Very low	33.9	Very low	228 Å²	228	137.5 Å²	137.5	86%	0.86	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-91.3	16	-178.9	-83.3	-173.9	174.6	179.6	-1.7	115	D342	D342-R344 PolarHBondContact O-N 2.96Å
345	K	31.8	Very low	34.4	Very low	194 Å²	194	139.3 Å²	139.3	84%	0.843	71%	0.713	S	S	*	*			trans	-118.5	134.1	179	-71.4	-179.1	178.4	174	0	113.1
346	S	31.6	Very low	35.2	Very low	130 Å²	130	138.6 Å²	138.6	91%	0.909	70%	0.704	S	S	*	*			trans	75.2	95.1	-179.4	82.2	0	0	0	0	117.5
347	Y	29.2	Very low	35.8	Very low	225 Å²	225	135.9 Å²	135.9	88%	0.882	69%	0.687	S	S	*	*			trans	-101.9	114.8	164.7	-163.6	-86.4	0	0	0	106.2
348	E	28.4	Very low	36.5	Very low	187 Å²	187	133.2 Å²	133.2	87%	0.874	68%	0.676	S	S	*	*			trans	172.9	134.2	158.5	-98.6	158.4	-160.1	0	0	109
349	S	30.7	Very low	37.3	Very low	111 Å²	111	128.6 Å²	128.6	78%	0.776	67%	0.666	S	S	*	*			trans	87.9	69.8	176.9	-167.8	0	0	0	0	118.1
350	V	34.9	Very low	38.2	Very low	91 Å²	91	129 Å²	129	55%	0.552	66%	0.661	S	S	*	*			trans	-141.9	69.4	166.6	-168.2	0	0	0	0	110.6
351	H	34.5	Very low	38.7	Very low	177 Å²	177	124.4 Å²	124.4	82%	0.819	64%	0.637	S	S	*	*	S	Bend	trans	-125.3	0.6	168.3	-82.1	-46.9	0	0	0	113.7
352	S	34.8	Very low	39.4	Very low	110 Å²	110	125.2 Å²	125.2	77%	0.769	63%	0.633	S	S	*	*	S	Bend	trans	-112.2	8.4	-178.3	60.3	0	0	0	0	115
353	R	44.7	Very low	40	Very low	171 Å²	171	122.6 Å²	122.6	65%	0.645	62%	0.618	S	S	*	*			trans	-113	0.4	-173.6	-77.5	178.6	115.9	146.5	0.5	115.2	D355 S356 F357	R353-D355 VanDerWaalsContact C-N 3.32Å; R353-D355 PolarHBondContact O-N 2.65Å; R353-S356 PolarHBondContact O-N 3.14Å; R353-S356 PolarHBondContact O-OG 2.91Å; R353-F357 PolarHBondContact O-N 2.85Å; R353-F357 VanDerWaalsContact O-N 3.12Å
354	E	40	Very low	40.5	Very low	121 Å²	121	120 Å²	120	57%	0.565	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-23.9	-174.6	-67.4	-177.4	168.2	0	0	113.8	F357	E354-F357 WeakPolarHBondContact O-CB 3.37Å
355	D	39.3	Very low	40.8	Very low	148 Å²	148	110.2 Å²	110.2	79%	0.791	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-35.9	174.4	-68.3	-32.8	0	0	0	112	R353 F357	R353-D355 VanDerWaalsContact C-N 3.32Å; R353-D355 PolarHBondContact O-N 2.65Å; D355-F357 PolarHBondContact O-N 2.87Å
356	S	52.8	Low	41.1	Very low	63 Å²	63	109.1 Å²	109.1	44%	0.441	56%	0.563	S	S	.	*	H	α-helix	trans	-67.6	-21.2	172.3	64.8	0	0	0	0	113.6	R353 F358 E360	R353-S356 PolarHBondContact O-N 3.14Å; R353-S356 PolarHBondContact O-OG 2.91Å; S356-F358 VanDerWaalsContact C-N 3.33Å; S356-F358 PolarHBondContact O-N 2.89Å; S356-E360 PolarHBondContact O-N 3.28Å
357	F	47.3	Very low	41.2	Very low	44 Å²	44	111 Å²	111	19%	0.193	56%	0.555	C	S	.	*	H	α-helix	trans	-64.7	-35.1	-177.4	159.9	-105.3	0	0	0	112.9	M315 V316 R353 E354 D355	M315-F357 HydrophobicContact CB-CE2 4.27Å; V316-F357 HydrophobicContact CG2-CE2 3.8Å; V316-F357 HydrophobicContact CG2-CZ 4.02Å; R353-F357 PolarHBondContact O-N 2.85Å; R353-F357 VanDerWaalsContact O-N 3.12Å; E354-F357 WeakPolarHBondContact O-CB 3.37Å; D355-F357 PolarHBondContact O-N 2.87Å
358	F	47.2	Very low	41	Very low	58 Å²	58	105.4 Å²	105.4	25%	0.254	55%	0.549	S	S	.	.	H	α-helix	trans	-87.6	-29.6	-174.7	-75.4	-57.6	0	0	0	113.8	S356 L361 K470	S356-F358 VanDerWaalsContact C-N 3.33Å; S356-F358 PolarHBondContact O-N 2.89Å; F358-L361 PolarHBondContact O-N 3.48Å; F358-K470 HydrophobicContact CD1-CD 3.57Å; F358-K470 HydrophobicContact CD1-CG 3.91Å; F358-K470 HydrophobicContact CE1-CD 3.94Å; F358-K470 VanDerWaalsContact CE1-CE 3.45Å; F358-K470 HydrophobicContact CE1-CG 3.77Å; F358-K470 HydrophobicContact CG-CD 4.5Å
359	D	51.1	Low	41.1	Very low	107 Å²	107	103.2 Å²	103.2	57%	0.572	54%	0.539	S	S	*	.	H	α-helix	trans	-71.2	-35	177.5	-82.3	-17.8	0	0	0	112	L361 L362 N363	D359-L361 PolarHBondContact O-N 3.13Å; D359-L362 PolarHBondContact O-N 2.7Å; D359-N363 WeakPolarHBondContact O-CB 3.34Å; D359-N363 PolarHBondContact O-N 3.28Å; D359-N363 PolarHBondContact O-ND2 2.96Å
360	E	52.9	Low	41	Very low	118 Å²	118	105.7 Å²	105.7	55%	0.551	54%	0.538	S	S	*	.	H	α-helix	trans	-66	-29.2	176.9	-160.4	169.5	-162.5	0	0	112.2	S356	S356-E360 PolarHBondContact O-N 3.28Å
361	L	45.8	Very low	40.7	Very low	26 Å²	26	107.5 Å²	107.5	14%	0.136	54%	0.544	C	S	.	.	H	α-helix	trans	-73.6	-33.9	179.9	-154.8	135.3	0	0	0	112.9	A313 V316 F358 D359 K470	A313-L361 HydrophobicContact CB-CD1 4.3Å; V316-L361 HydrophobicContact CG2-CD1 3.68Å; F358-L361 PolarHBondContact O-N 3.48Å; D359-L361 PolarHBondContact O-N 3.13Å; L361-K470 HydrophobicContact CD2-CB 4.26Å
362	L	47.3	Very low	40.5	Very low	77 Å²	77	104.8 Å²	104.8	40%	0.403	54%	0.536	S	S	.	.	H	α-helix	trans	-90	-18.4	-178.3	-71.2	167.3	0	0	0	113.4	D359 S364 S365	D359-L362 PolarHBondContact O-N 2.7Å; L362-S364 PolarHBondContact O-N 2.81Å; L362-S364 VanDerWaalsContact O-N 3.17Å; L362-S365 PolarHBondContact O-N 3.06Å
363	N	47.8	Very low	40.2	Very low	88 Å²	88	106.2 Å²	106.2	47%	0.471	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-75	0.2	-177.5	-79.3	-28.6	0	0	0	114.9	D359 S365	D359-N363 WeakPolarHBondContact O-CB 3.34Å; D359-N363 PolarHBondContact O-N 3.28Å; D359-N363 PolarHBondContact O-ND2 2.96Å; N363-S365 VanDerWaalsContact C-N 3.34Å
364	S	43.2	Very low	39.3	Very low	47 Å²	47	104.8 Å²	104.8	33%	0.329	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-74.1	-19.4	172.2	71.7	0	0	0	0	114	L362 K366	L362-S364 PolarHBondContact O-N 2.81Å; L362-S364 VanDerWaalsContact O-N 3.17Å; S364-K366 VanDerWaalsContact C-N 3.33Å
365	S	41.1	Very low	38.8	Very low	21 Å²	21	108.3 Å²	108.3	15%	0.147	55%	0.548	C	S	.	.	G	3₁₀ helix	trans	-82.1	-11.4	178	-158.8	0	0	0	0	114	L362 N363 K459 D463	L362-S365 PolarHBondContact O-N 3.06Å; N363-S365 VanDerWaalsContact C-N 3.34Å; S365-K459 WeakPolarHBondContact O-CE 3.49Å; S365-K459 PolarHBondContact O-NZ 2.79Å; S365-K459 WeakPolarHBondContact OG-CE 3.2Å; S365-D463 WeakPolarHBondContact CB-OD1 3.48Å; S365-D463 PolarHBondContact OG-OD1 2.97Å; S365-D463 PolarHBondContact OG-OD2 3.2Å; S365-D463 VanDerWaalsContact OG-OD2 3.09Å
366	K	38.9	Very low	38.3	Very low	171 Å²	171	108.3 Å²	108.3	74%	0.743	55%	0.548	S	S	*	.	S	Bend	trans	-101.6	-8.1	-178.3	-70.4	-176.5	178.8	175.1	0	114.4	S364	S364-K366 VanDerWaalsContact C-N 3.33Å
367	K	32.6	Very low	37.1	Very low	171 Å²	171	107.3 Å²	107.3	74%	0.743	55%	0.548	S	S	*	.			trans	-98.6	74.2	166.6	-82.5	-175.5	173.1	-177.4	0	110	Q369	K367-Q369 PolarHBondContact O-N 2.87Å; K367-Q369 VanDerWaalsContact O-N 3.11Å
368	S	26.7	Very low	36.1	Very low	107 Å²	107	113.1 Å²	113.1	75%	0.748	58%	0.581	S	S	*	*			trans	-76	72.1	149.5	52.5	0	0	0	0	107.1
369	Q	29.4	Very low	35.3	Very low	141 Å²	141	116 Å²	116	66%	0.659	60%	0.599	S	S	*	*			trans	-92.9	109.7	158.2	-168	164.2	-11.6	0	0	104.6	K367 D371	K367-Q369 PolarHBondContact O-N 2.87Å; K367-Q369 VanDerWaalsContact O-N 3.11Å; Q369-D371 PolarHBondContact O-N 3.06Å
370	E	29.4	Very low	34.3	Very low	163 Å²	163	121 Å²	121	76%	0.762	62%	0.619	S	S	*	*			trans	-51	88.4	158.3	-66.1	170.9	164.6	0	0	106.9	N372	E370-N372 PolarHBondContact O-N 3.36Å
371	D	29.1	Very low	33.3	Very low	128 Å²	128	120.9 Å²	120.9	68%	0.684	62%	0.622	S	S	*	*			trans	-72.6	72.3	154.2	-74.5	-16.1	0	0	0	105.1	Q369 I373	Q369-D371 PolarHBondContact O-N 3.06Å; D371-I373 PolarHBondContact O-N 3.08Å
372	N	28.8	Very low	32.6	Very low	120 Å²	120	124.6 Å²	124.6	64%	0.642	64%	0.642	S	S	*	*			trans	-56.5	88.2	148.6	-80	-31.3	0	0	0	104.8	E370 D374	E370-N372 PolarHBondContact O-N 3.36Å; N372-D374 PolarHBondContact O-N 3.07Å
373	I	28.4	Very low	31.8	Very low	140 Å²	140	129.6 Å²	129.6	72%	0.718	66%	0.663	S	S	*	*			trans	-69.4	84.3	156.7	-57.4	174.5	0	0	0	103.8	D371 Y375	D371-I373 PolarHBondContact O-N 3.08Å; I373-Y375 PolarHBondContact O-N 3.42Å
374	D	27.4	Very low	30.9	Very low	142 Å²	142	127.8 Å²	127.8	76%	0.759	66%	0.655	S	S	*	*			trans	-58.7	99.4	153.3	-87.2	-24.4	0	0	0	105.4	N372 D376	N372-D374 PolarHBondContact O-N 3.07Å; D374-D376 PolarHBondContact O-N 3.38Å
375	Y	28.5	Very low	30.4	Very low	194 Å²	194	130.3 Å²	130.3	76%	0.761	66%	0.664	S	S	*	*			trans	-76.1	76.6	166.5	-159	-91.5	0	0	0	106.4	I373	I373-Y375 PolarHBondContact O-N 3.42Å
376	D	28.6	Very low	30.2	Very low	148 Å²	148	132.9 Å²	132.9	79%	0.791	68%	0.675	S	S	*	*			trans	-83.5	135.9	169	-176.3	20.5	0	0	0	109.2	D374	D374-D376 PolarHBondContact O-N 3.38Å
377	G	28	Very low	29.8	Very low	43 Å²	43	131 Å²	131	44%	0.443	67%	0.674	S	S	.	*	S	Bend	trans	105.6	84.1	163.1	0	0	0	0	0	116.2
378	N	26.7	Very low	29.8	Very low	165 Å²	165	126.6 Å²	126.6	88%	0.882	66%	0.658	S	S	*	*			trans	46	83.3	135.8	-69.4	-30.3	0	0	0	117.5
379	D	30.3	Very low	30	Very low	119 Å²	119	126.1 Å²	126.1	64%	0.636	66%	0.661	S	S	*	*			trans	-139.6	120.2	143.5	-96.2	-30.7	0	0	0	107.8	L381	D379-L381 HydrophobicContact CB-CB 4.46Å; D379-L381 HydrophobicContact CB-CD1 3.83Å; D379-L381 HydrophobicContact CB-CG 4Å; D379-L381 PolarHBondContact O-N 3.25Å
380	E	29.5	Very low	30.2	Very low	211 Å²	211	125.9 Å²	125.9	99%	0.986	66%	0.659	S	S	*	*			trans	-66.4	55	167.1	-73.7	-177.8	138	0	0	110.6
381	L	31.6	Very low	30.4	Very low	116 Å²	116	126.1 Å²	126.1	61%	0.607	67%	0.666	S	S	*	*			trans	-92.7	112.1	174.7	-76.6	168	0	0	0	108.8	D379 Q383	D379-L381 HydrophobicContact CB-CB 4.46Å; D379-L381 HydrophobicContact CB-CD1 3.83Å; D379-L381 HydrophobicContact CB-CG 4Å; D379-L381 PolarHBondContact O-N 3.25Å; L381-Q383 PolarHBondContact O-N 3.11Å
382	D	31.8	Very low	30.7	Very low	104 Å²	104	123.9 Å²	123.9	56%	0.556	65%	0.654	S	S	*	*			trans	-34.5	112.5	177.5	-162.6	-14.8	0	0	0	112.4	T384 I385	D382-T384 PolarHBondContact O-N 2.9Å; D382-T384 WeakPolarHBondContact OD1-CB 3.48Å; D382-T384 WeakPolarHBondContact OD1-CG2 3.14Å; D382-T384 PolarHBondContact OD1-OG1 3.22Å; D382-T384 PolarHBondContact OD2-OG1 2.79Å; D382-I385 PolarHBondContact O-N 2.87Å
383	Q	30.4	Very low	31.1	Very low	183 Å²	183	124.3 Å²	124.3	86%	0.855	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	12.8	-178.4	-65.1	177.4	-0	0	0	113.5	L207 L381	L207-Q383 WeakPolarHBondContact CD1-O 2.96Å; L381-Q383 PolarHBondContact O-N 3.11Å
384	T	29.5	Very low	31.7	Very low	49 Å²	49	120.5 Å²	120.5	30%	0.301	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.4	4.4	-177.8	63.1	0	0	0	0	113.5	T203 D382 I386	T203-T384 VanDerWaalsContact CG2-O 3.28Å; T203-T384 WeakPolarHBondContact CG2-O 3.5Å; T203-T384 WeakPolarHBondContact OG1-CB 3.17Å; T203-T384 PolarHBondContact OG1-O 3.23Å; D382-T384 PolarHBondContact O-N 2.9Å; D382-T384 WeakPolarHBondContact OD1-CB 3.48Å; D382-T384 WeakPolarHBondContact OD1-CG2 3.14Å; D382-T384 PolarHBondContact OD1-OG1 3.22Å; D382-T384 PolarHBondContact OD2-OG1 2.79Å; T384-I386 PolarHBondContact O-N 3.42Å
385	I	32.7	Very low	32.3	Very low	100 Å²	100	120 Å²	120	51%	0.513	64%	0.642	S	S	.	*			trans	-85.6	113.6	-179.5	-59.9	173.3	0	0	0	109.9	D382 D387	D382-I385 PolarHBondContact O-N 2.87Å; I385-D387 PolarHBondContact O-N 2.96Å
386	I	37.2	Very low	33	Very low	76 Å²	76	114.6 Å²	114.6	39%	0.39	63%	0.627	S	S	.	*			trans	-67.2	100.5	160.9	-60.4	172	0	0	0	106	T384 D388	T384-I386 PolarHBondContact O-N 3.42Å; I386-D388 HydrophobicContact CG2-CB 4.13Å; I386-D388 WeakPolarHBondContact CG2-OD2 3.17Å; I386-D388 PolarHBondContact O-N 2.8Å
387	D	29.2	Very low	33.6	Very low	132 Å²	132	111.5 Å²	111.5	71%	0.706	60%	0.604	S	S	*	*			trans	-66.5	73.5	163	-94.1	-16.2	0	0	0	109.1	I385	I385-D387 PolarHBondContact O-N 2.96Å
388	D	33.5	Very low	34.5	Very low	78 Å²	78	113.7 Å²	113.7	42%	0.417	61%	0.605	S	S	.	*			trans	-97.4	77.2	153	-73.4	-23.7	0	0	0	105.7	I386 E390	I386-D388 HydrophobicContact CG2-CB 4.13Å; I386-D388 WeakPolarHBondContact CG2-OD2 3.17Å; I386-D388 PolarHBondContact O-N 2.8Å; D388-E390 PolarHBondContact O-N 3.39Å
389	A	29.8	Very low	35.3	Very low	97 Å²	97	114.1 Å²	114.1	80%	0.802	60%	0.602	S	S	*	*			trans	-65.4	68	163.3	0	0	0	0	0	109.4
390	E	34.7	Very low	36.6	Very low	135 Å²	135	111.3 Å²	111.3	63%	0.631	58%	0.584	S	S	*	*			trans	-102.4	97.8	148.6	-73.3	-174.9	172.7	0	0	105.5	D388 D392 R397	D388-E390 PolarHBondContact O-N 3.39Å; E390-D392 PolarHBondContact O-N 2.96Å; E390-R397 PolarHBondContact O-NH2 3.16Å
391	D	33.6	Very low	37.9	Very low	169 Å²	169	104.4 Å²	104.4	90%	0.904	56%	0.559	S	S	*	*			trans	-70.7	54.1	177.2	-142.1	11.1	0	0	0	110.4
392	D	35.7	Very low	39.2	Very low	80 Å²	80	100.1 Å²	100.1	43%	0.428	54%	0.536	S	S	.	.			trans	-110.9	124	174.7	-88.6	-3.7	0	0	0	108.2	E390 K400	E390-D392 PolarHBondContact O-N 2.96Å; D392-K400 IonicContact OD2-NZ 2.69Å; D392-K400 PolarHBondContact OD2-NZ 2.89Å
393	D	37.2	Very low	40.3	Very low	130 Å²	130	96.2 Å²	96.2	70%	0.695	52%	0.52	S	S	*	.			trans	-40.9	137	-178.9	-71.1	-56.3	0	0	0	113	D395 D396	D393-D395 PolarHBondContact O-N 2.81Å; D393-D396 WeakPolarHBondContact O-CB 3.31Å; D393-D396 PolarHBondContact O-N 3.24Å
394	A	40.4	Very low	41.5	Very low	59 Å²	59	96.3 Å²	96.3	49%	0.488	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22	-175.7	0	0	0	0	0	113.8
395	D	39.9	Very low	42.8	Very low	131 Å²	131	96.2 Å²	96.2	70%	0.701	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-35.8	176	-117.8	-9.6	0	0	0	112.3	D393 R397 I398	D393-D395 PolarHBondContact O-N 2.81Å; D395-R397 VanDerWaalsContact C-N 3.27Å; D395-R397 PolarHBondContact O-N 3.05Å; D395-I398 PolarHBondContact O-N 2.75Å
396	D	42.7	Very low	44	Very low	82 Å²	82	92.9 Å²	92.9	44%	0.439	51%	0.505	S	S	.	.	H	α-helix	trans	-67.5	-28.6	179.9	-101.6	19.4	0	0	0	112.4	D393 I398 Q399 K400	D393-D396 WeakPolarHBondContact O-CB 3.31Å; D393-D396 PolarHBondContact O-N 3.24Å; D396-I398 VanDerWaalsContact C-N 3.28Å; D396-I398 PolarHBondContact O-N 2.84Å; D396-Q399 PolarHBondContact O-N 3.25Å; D396-K400 WeakPolarHBondContact O-CG 3.43Å; D396-K400 PolarHBondContact O-N 2.95Å; D396-K400 IonicContact OD2-NZ 3.36Å; D396-K400 PolarHBondContact OD2-NZ 2.83Å
397	R	41.7	Very low	45.5	Very low	83 Å²	83	91.6 Å²	91.6	31%	0.313	50%	0.499	S	S	.	.	H	α-helix	trans	-70	-22.9	-178.8	-69.2	-171.2	-178.1	-157.3	0.9	113.4	E390 D395 Q399	E390-R397 PolarHBondContact O-NH2 3.16Å; D395-R397 VanDerWaalsContact C-N 3.27Å; D395-R397 PolarHBondContact O-N 3.05Å; R397-Q399 VanDerWaalsContact C-N 3.28Å; R397-Q399 PolarHBondContact O-N 3.48Å
398	I	45.8	Very low	48.2	Very low	88 Å²	88	86.1 Å²	86.1	45%	0.451	47%	0.468	S	S	.	.	H	α-helix	trans	-71.4	-28.8	-177.4	-62	177.3	0	0	0	110.9	D395 D396	D395-I398 PolarHBondContact O-N 2.75Å; D396-I398 VanDerWaalsContact C-N 3.28Å; D396-I398 PolarHBondContact O-N 2.84Å
399	Q	44	Very low	51	Low	175 Å²	175	86.5 Å²	86.5	82%	0.818	46%	0.464	S	S	*	.	H	α-helix	trans	-106	-15	-173.8	-65.8	-178.7	-4.8	0	0	114.6	D396 R397 S401	D396-Q399 PolarHBondContact O-N 3.25Å; R397-Q399 VanDerWaalsContact C-N 3.28Å; R397-Q399 PolarHBondContact O-N 3.48Å; Q399-S401 PolarHBondContact O-N 3.22Å
400	K	57.3	Low	53.9	Low	60 Å²	60	81.9 Å²	81.9	26%	0.261	43%	0.426	S	S	.	.			trans	-73.5	110.1	179.5	-73.6	173.7	-175.7	165.8	0	111.4	L265 D392 D396	L265-K400 HydrophobicContact CD1-CB 3.79Å; L265-K400 PolarHBondContact N-O 2.95Å; D392-K400 IonicContact OD2-NZ 2.69Å; D392-K400 PolarHBondContact OD2-NZ 2.89Å; D396-K400 WeakPolarHBondContact O-CG 3.43Å; D396-K400 PolarHBondContact O-N 2.95Å; D396-K400 IonicContact OD2-NZ 3.36Å; D396-K400 PolarHBondContact OD2-NZ 2.83Å
401	S	56.5	Low	56.5	Low	66 Å²	66	75.5 Å²	75.5	46%	0.462	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-72.9	154.4	164.3	58.4	0	0	0	0	110.3	Q399 G403	Q399-S401 PolarHBondContact O-N 3.22Å; S401-G403 PolarHBondContact O-N 3.11Å
402	L	59.3	Low	58.8	Low	25 Å²	25	70.3 Å²	70.3	13%	0.131	37%	0.371	C	S	.	.			trans	-50.4	-33.7	179.8	-154.5	85.1	0	0	0	114.3	A256 T263 L265 F268 V405	A256-L402 VanDerWaalsContact C-CD2 3.48Å; A256-L402 HydrophobicContact CB-CD1 3.61Å; A256-L402 HydrophobicContact CB-CD2 3.61Å; A256-L402 HydrophobicContact CB-CG 4.03Å; A256-L402 WeakPolarHBondContact O-CD2 3.39Å; T263-L402 PolarHBondContact O-N 3.11Å; T263-L402 VanDerWaalsContact O-N 3.14Å; L265-L402 HydrophobicContact CD2-CD1 3.53Å; L265-L402 HydrophobicContact CD2-CG 4.44Å; L265-L402 HydrophobicContact CG-CD1 4.5Å; F268-L402 HydrophobicContact CD2-CD1 4.03Å; F268-L402 HydrophobicContact CE2-CD1 3.35Å; F268-L402 HydrophobicContact CZ-CD1 3.91Å; L402-V405 HydrophobicContact CD1-CG2 4.37Å; L402-V405 HydrophobicContact CD2-CG2 3.46Å; L402-V405 VanDerWaalsContact CD2-CG2 3.46Å; L402-V405 HydrophobicContact CG-CG2 3.49Å; L402-V405 VanDerWaalsContact CG-CG2 3.49Å
403	G	55.6	Low	61	Low	22 Å²	22	71.7 Å²	71.7	23%	0.227	38%	0.379	C	S	.	.			trans	66.5	175.1	-168.7	0	0	0	0	0	111.2	S401 V405	S401-G403 PolarHBondContact O-N 3.11Å; G403-V405 VanDerWaalsContact C-N 3.31Å; G403-V405 PolarHBondContact O-N 2.88Å
404	K	54.8	Low	63.1	Low	185 Å²	185	67 Å²	67	80%	0.804	35%	0.354	S	S	*	.	S	Bend	trans	-71.2	92.1	171.1	-72.7	-170.4	178.1	-174.5	0	108.8	K328 A406	K328-K404 PolarHBondContact NZ-O 2.92Å; K404-A406 PolarHBondContact O-N 3.21Å
405	V	57.6	Low	65	Low	48 Å²	48	66.1 Å²	66.1	29%	0.291	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-54.5	135.4	175.4	-179	0	0	0	0	108.5	A256 L402 G403	A256-V405 HydrophobicContact CB-CG2 4.15Å; L402-V405 HydrophobicContact CD1-CG2 4.37Å; L402-V405 HydrophobicContact CD2-CG2 3.46Å; L402-V405 VanDerWaalsContact CD2-CG2 3.46Å; L402-V405 HydrophobicContact CG-CG2 3.49Å; L402-V405 VanDerWaalsContact CG-CG2 3.49Å; G403-V405 VanDerWaalsContact C-N 3.31Å; G403-V405 PolarHBondContact O-N 2.88Å
406	A	57.6	Low	66.9	Low	30 Å²	30	59.9 Å²	59.9	25%	0.248	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-59.9	146.8	173.6	0	0	0	0	0	108.9	K404 Y408 T417	K404-A406 PolarHBondContact O-N 3.21Å; A406-Y408 PolarHBondContact O-N 2.98Å; A406-T417 HydrophobicContact CB-CG2 3.92Å
407	D	69.4	Low	68.2	Low	49 Å²	49	58.6 Å²	58.6	26%	0.262	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-51	132.2	-174.6	-148.1	-47.3	0	0	0	111.5	R409 N414	D407-R409 PolarHBondContact O-N 3.24Å; D407-R409 WeakPolarHBondContact OD1-CB 3.48Å; D407-R409 WeakPolarHBondContact OD1-CG 3.29Å; D407-R409 PolarHBondContact OD1-N 2.74Å; D407-N414 HydrophobicContact CB-CB 3.98Å; D407-N414 VanDerWaalsContact CB-CG 3.46Å; D407-N414 VanDerWaalsContact CG-CG 3.49Å; D407-N414 PolarHBondContact OD2-ND2 3.39Å
408	Y	86.2	Confident	69.7	Low	16 Å²	16	58 Å²	58	6%	0.063	31%	0.305	C	S	.	.	S	Bend	trans	-81.5	-6.1	-179.1	68.7	-82.4	0	0	0	111.8	A254 Y257 H258 A406 Y423 D427	A254-Y408 HydrophobicContact CB-CD2 3.51Å; A254-Y408 HydrophobicContact CB-CE2 3.95Å; A254-Y408 HydrophobicContact CB-CG 3.82Å; Y257-Y408 AromaticContact CD1-CD1 3.9Å; Y257-Y408 HydrophobicContact CD1-CD1 3.9Å; Y257-Y408 AromaticContact CD1-CE1 3.46Å; Y257-Y408 HydrophobicContact CD1-CE1 3.46Å; Y257-Y408 VanDerWaalsContact CD1-CE1 3.46Å; Y257-Y408 AromaticContact CD2-CD1 3.91Å; Y257-Y408 HydrophobicContact CD2-CD1 3.91Å; Y257-Y408 HydrophobicContact CD2-CE1 4.24Å; Y257-Y408 AromaticContact CE1-CE1 3.95Å; Y257-Y408 HydrophobicContact CE1-CE1 3.95Å; Y257-Y408 AromaticContact CG-CD1 3.51Å; Y257-Y408 HydrophobicContact CG-CD1 3.51Å; Y257-Y408 AromaticContact CG-CE1 3.62Å; Y257-Y408 HydrophobicContact CG-CE1 3.62Å; H258-Y408 AromaticContact NE2-CZ 3.8Å; H258-Y408 PolarHBondContact NE2-OH 3.45Å; A406-Y408 PolarHBondContact O-N 2.98Å; Y408-Y423 VanDerWaalsContact O-CD1 3.27Å; Y408-Y423 WeakPolarHBondContact O-CD1 3.28Å; Y408-D427 HydrophobicContact CD2-CB 3.97Å; Y408-D427 WeakPolarHBondContact CD2-OD2 3.47Å; Y408-D427 HydrophobicContact CE2-CB 3.89Å; Y408-D427 WeakPolarHBondContact CE2-OD2 3.29Å
409	R	90.4	Very high	71.2	Confident	87 Å²	87	57.8 Å²	57.8	33%	0.328	30%	0.302	S	S	.	.	S	Bend	trans	-91.2	154	-179.3	-59	-177.4	-174.7	-176.7	1.1	111.7	D407 D427 E429	D407-R409 PolarHBondContact O-N 3.24Å; D407-R409 WeakPolarHBondContact OD1-CB 3.48Å; D407-R409 WeakPolarHBondContact OD1-CG 3.29Å; D407-R409 PolarHBondContact OD1-N 2.74Å; R409-D427 VanDerWaalsContact CA-O 3.22Å; R409-D427 WeakPolarHBondContact CA-O 3.43Å; R409-D427 WeakPolarHBondContact CB-O 3.31Å; R409-D427 HydrophobicContact CG-CB 4.36Å; R409-E429 VanDerWaalsContact CD-OE1 3.25Å; R409-E429 WeakPolarHBondContact CD-OE1 3.39Å; R409-E429 IonicContact NH1-OE1 3.81Å; R409-E429 PolarHBondContact NH1-OE1 3Å
410	F	91.5	Very high	73.1	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-105.8	117.2	169.6	-175.3	-84	0	0	0	109.2	F309 P416 Y423 D427 I428 E429 I430 L465 L469 W472	F309-F410 HydrophobicContact CD1-CE2 4.47Å; F309-F410 HydrophobicContact CE1-CE2 4.15Å; F410-P416 HydrophobicContact CD2-CG 4.09Å; F410-P416 HydrophobicContact CE2-CG 3.8Å; F410-Y423 HydrophobicContact CB-CD1 3.95Å; F410-Y423 HydrophobicContact CB-CD2 4.29Å; F410-Y423 HydrophobicContact CB-CE1 3.85Å; F410-Y423 HydrophobicContact CB-CE2 4.19Å; F410-Y423 HydrophobicContact CB-CG 4.17Å; F410-Y423 HydrophobicContact CD2-CD2 4.41Å; F410-Y423 AromaticContact CD2-CE2 3.74Å; F410-Y423 HydrophobicContact CD2-CE2 3.74Å; F410-Y423 AromaticContact CD2-CZ 3.82Å; F410-Y423 HydrophobicContact CG-CE2 4.4Å; F410-D427 PolarHBondContact N-O 2.89Å; F410-I428 HydrophobicContact CB-CG1 4.4Å; F410-I428 HydrophobicContact CB-CG2 4.49Å; F410-I428 HydrophobicContact CD1-CG2 4.27Å; F410-E429 WeakPolarHBondContact O-CB 3.34Å; F410-E429 PolarHBondContact O-N 3.4Å; F410-I430 HydrophobicContact CD1-CD1 4.05Å; F410-I430 HydrophobicContact CD1-CG1 4.22Å; F410-I430 HydrophobicContact CE1-CD1 3.75Å; F410-I430 HydrophobicContact CE1-CG1 4.2Å; F410-L465 HydrophobicContact CB-CD2 4.21Å; F410-L465 HydrophobicContact CD1-CD2 3.27Å; F410-L465 HydrophobicContact CD2-CD2 3.86Å; F410-L465 HydrophobicContact CE1-CB 4.47Å; F410-L465 HydrophobicContact CE1-CD2 3.43Å; F410-L465 VanDerWaalsContact CE1-CD2 3.43Å; F410-L465 HydrophobicContact CE2-CD2 3.97Å; F410-L465 HydrophobicContact CG-CD2 3.5Å; F410-L465 VanDerWaalsContact CG-CD2 3.5Å; F410-L465 HydrophobicContact CZ-CB 4.18Å; F410-L465 HydrophobicContact CZ-CD2 3.77Å; F410-L465 WeakPolarHBondContact CZ-O 3.19Å; F410-L469 HydrophobicContact CZ-CB 4.15Å; F410-W472 AromaticContact CD1-CH2 3.97Å; F410-W472 HydrophobicContact CD1-CH2 3.97Å; F410-W472 AromaticContact CD1-CZ3 3.89Å; F410-W472 HydrophobicContact CD1-CZ3 3.89Å; F410-W472 HydrophobicContact CE1-CE3 4.38Å; F410-W472 AromaticContact CE1-CH2 3.56Å; F410-W472 HydrophobicContact CE1-CH2 3.56Å; F410-W472 AromaticContact CE1-CZ3 3.27Å; F410-W472 HydrophobicContact CE1-CZ3 3.27Å; F410-W472 HydrophobicContact CZ-CE3 4.5Å; F410-W472 HydrophobicContact CZ-CH2 4.42Å; F410-W472 AromaticContact CZ-CZ3 3.72Å; F410-W472 HydrophobicContact CZ-CZ3 3.72Å
411	G	89.3	Confident	74.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-165.2	175.3	-176	0	0	0	0	0	113	N413 N414 W472	G411-N413 PolarHBondContact O-N 3.24Å; G411-N413 VanDerWaalsContact O-N 3.09Å; G411-N414 PolarHBondContact N-O 2.92Å; G411-N414 VanDerWaalsContact N-O 3.07Å; G411-N414 CarbonylContact O-C 3.57Å; G411-N414 VanDerWaalsContact O-C 3.32Å; G411-N414 PolarHBondContact O-N 3.02Å; G411-W472 VanDerWaalsContact CA-CH2 3.49Å; G411-W472 VanDerWaalsContact O-CZ3 3.24Å; G411-W472 WeakPolarHBondContact O-CZ3 3.32Å
412	P	82.7	Confident	76.2	Confident	60 Å²	60	52.8 Å²	52.8	39%	0.39	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.4	-175.9	21.7	-32.6	0	0	0	113.1	W415 W472	P412-W415 PolarHBondContact O-NE1 2.94Å; P412-W472 HydrophobicContact CB-CD2 4.3Å; P412-W472 HydrophobicContact CB-CZ2 3.97Å; P412-W472 HydrophobicContact CG-CZ2 4.37Å
413	N	80.5	Confident	77.8	Confident	110 Å²	110	51.8 Å²	51.8	59%	0.588	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-10.6	179.5	-64.5	-39.1	0	0	0	114.1	R327 G411	R327-N413 PolarHBondContact NH1-O 2.98Å; G411-N413 PolarHBondContact O-N 3.24Å; G411-N413 VanDerWaalsContact O-N 3.09Å
414	N	81.1	Confident	79.7	Confident	31 Å²	31	50.7 Å²	50.7	17%	0.166	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-137.7	91.2	-164.1	-68.8	-23.7	0	0	0	110.3	D407 G411	D407-N414 HydrophobicContact CB-CB 3.98Å; D407-N414 VanDerWaalsContact CB-CG 3.46Å; D407-N414 VanDerWaalsContact CG-CG 3.49Å; D407-N414 PolarHBondContact OD2-ND2 3.39Å; G411-N414 PolarHBondContact N-O 2.92Å; G411-N414 VanDerWaalsContact N-O 3.07Å; G411-N414 CarbonylContact O-C 3.57Å; G411-N414 VanDerWaalsContact O-C 3.32Å; G411-N414 PolarHBondContact O-N 3.02Å
415	W	80.6	Confident	81.7	Confident	40 Å²	40	41.9 Å²	41.9	15%	0.152	22%	0.216	C	C	.	.			trans	-95.8	158.2	-179	-56.5	-9	0	0	0	111.2	L320 P412 T417 L469 W472 I473 S476	L320-W415 HydrophobicContact CD2-CB 3.56Å; L320-W415 HydrophobicContact CD2-CD2 4.24Å; L320-W415 HydrophobicContact CD2-CE3 3.6Å; L320-W415 HydrophobicContact CD2-CG 4.3Å; P412-W415 PolarHBondContact O-NE1 2.94Å; W415-T417 PolarHBondContact O-N 3.29Å; W415-L469 HydrophobicContact CB-CD1 4.23Å; W415-L469 HydrophobicContact CD2-CD1 4.42Å; W415-L469 HydrophobicContact CG-CD1 4.19Å; W415-W472 AromaticContact CD1-CE3 3.81Å; W415-W472 HydrophobicContact CH2-CB 4.49Å; W415-W472 WeakPolarHBondContact CH2-O 3.38Å; W415-W472 HydrophobicContact CZ2-CB 3.56Å; W415-W472 WeakPolarHBondContact CZ2-O 3.33Å; W415-W472 AromaticContact NE1-CE3 3.67Å; W415-I473 HydrophobicContact CE3-CG1 4.3Å; W415-I473 HydrophobicContact CH2-CG1 4.17Å; W415-I473 HydrophobicContact CZ3-CG1 3.86Å; W415-S476 WeakPolarHBondContact CH2-OG 3.29Å
416	P	79.9	Confident	83.4	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	22%	0.215	C	C	.	.			trans	-52.7	127.9	173	-22.6	30.8	0	0	0	111.6	F309 V311 L320 F410 V421 Y423 L469	F309-P416 HydrophobicContact CD1-CG 3.98Å; F309-P416 HydrophobicContact CE1-CG 3.88Å; V311-P416 HydrophobicContact CG2-CB 4.34Å; V311-P416 HydrophobicContact CG2-CG 4.34Å; L320-P416 WeakPolarHBondContact CD1-O 3.41Å; L320-P416 WeakPolarHBondContact CD2-O 3.37Å; F410-P416 HydrophobicContact CD2-CG 4.09Å; F410-P416 HydrophobicContact CE2-CG 3.8Å; P416-V421 HydrophobicContact CB-CG2 3.88Å; P416-Y423 WeakPolarHBondContact CA-OH 3.41Å; P416-L469 HydrophobicContact CG-CD2 4.47Å
417	T	71.4	Confident	85.2	Confident	55 Å²	55	40.5 Å²	40.5	34%	0.337	21%	0.206	S	C	.	.	S	Bend	trans	-91.5	-9.2	179.1	54.8	0	0	0	0	113.2	A406 W415	A406-T417 HydrophobicContact CB-CG2 3.92Å; W415-T417 PolarHBondContact O-N 3.29Å
418	T	73.1	Confident	86.4	Confident	70 Å²	70	38.2 Å²	38.2	43%	0.429	19%	0.193	S	C	.	.	S	Bend	trans	-134.3	164.1	-178.8	57	0	0	0	0	110.7	Q420 V421	T418-Q420 PolarHBondContact O-N 3.09Å; T418-Q420 PolarHBondContact OG1-O 3.01Å; T418-V421 WeakPolarHBondContact OG1-CG2 3.42Å
419	H	77.1	Confident	86.7	Confident	84 Å²	84	41 Å²	41	39%	0.389	21%	0.207	S	C	.	.	S	Bend	trans	-58.9	-34.9	176.5	163.3	-84.4	0	0	0	112.6	R310 V311 V317	R310-H419 CarbonylContact C-O 3.58Å; R310-H419 VanDerWaalsContact CA-O 3.22Å; R310-H419 WeakPolarHBondContact CA-O 3.46Å; V311-H419 PolarHBondContact N-O 3.5Å; V311-H419 PolarHBondContact O-CD2 3.13Å; V317-H419 HydrophobicContact CG2-CB 4.36Å
420	Q	83.8	Confident	86.9	Confident	71 Å²	71	36.8 Å²	36.8	33%	0.332	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122.9	-179.1	-179	175.5	5.9	0	0	108.9	D308 F309 R310 T418	D308-Q420 WeakPolarHBondContact OD1-CG 3.14Å; D308-Q420 PolarHBondContact OD1-NE2 2.58Å; D308-Q420 PolarHBondContact OD2-NE2 3.41Å; F309-Q420 WeakPolarHBondContact O-CA 3.39Å; R310-Q420 HydrophobicContact CG-CB 4.19Å; R310-Q420 HydrophobicContact CG-CG 3.95Å; R310-Q420 VanDerWaalsContact NH2-NE2 3.2Å; T418-Q420 PolarHBondContact O-N 3.09Å; T418-Q420 PolarHBondContact OG1-O 3.01Å
421	V	86.7	Confident	87	Confident	28 Å²	28	41 Å²	41	17%	0.17	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.5	177	-172.8	0	0	0	0	108.9	F309 P416 T418 Y423	F309-V421 PolarHBondContact N-O 2.95Å; F309-V421 PolarHBondContact O-N 2.8Å; P416-V421 HydrophobicContact CB-CG2 3.88Å; T418-V421 WeakPolarHBondContact OG1-CG2 3.42Å; V421-Y423 HydrophobicContact CB-CE2 3.77Å; V421-Y423 HydrophobicContact CG1-CD1 4.35Å; V421-Y423 HydrophobicContact CG1-CD2 4.22Å; V421-Y423 HydrophobicContact CG1-CE1 3.75Å; V421-Y423 HydrophobicContact CG1-CE2 3.6Å; V421-Y423 WeakPolarHBondContact CG1-OH 3.12Å
422	R	91.6	Very high	87.3	Confident	96 Å²	96	44.7 Å²	44.7	36%	0.362	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.2	171.1	-62.2	-175.5	-164.1	108.1	4.1	109	M251 V306 I307 D308	M251-R422 VanDerWaalsContact CE-O 3.3Å; M251-R422 WeakPolarHBondContact CE-O 3.28Å; M251-R422 HydrophobicContact SD-CB 4.12Å; V306-R422 HydrophobicContact CG1-CB 3.89Å; V306-R422 HydrophobicContact CG1-CG 4.42Å; I307-R422 VanDerWaalsContact O-CA 3.29Å; I307-R422 WeakPolarHBondContact O-CA 3.35Å; D308-R422 HydrophobicContact CB-CG 4.5Å; D308-R422 IonicContact OD2-NE 3.6Å
423	Y	93.9	Very high	87.9	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.1	175.4	-63.6	-73.8	0	0	0	109	V306 I307 F309 Y408 F410 P416 V421	V306-Y423 CarbonylContact C-O 3.45Å; V306-Y423 WeakPolarHBondContact CA-O 3.02Å; I307-Y423 PolarHBondContact N-O 3.02Å; I307-Y423 PolarHBondContact O-N 2.78Å; F309-Y423 HydrophobicContact CB-CD2 4.33Å; F309-Y423 HydrophobicContact CB-CE2 4.38Å; F309-Y423 HydrophobicContact CD1-CE2 4.45Å; Y408-Y423 VanDerWaalsContact O-CD1 3.27Å; Y408-Y423 WeakPolarHBondContact O-CD1 3.28Å; F410-Y423 HydrophobicContact CB-CD1 3.95Å; F410-Y423 HydrophobicContact CB-CD2 4.29Å; F410-Y423 HydrophobicContact CB-CE1 3.85Å; F410-Y423 HydrophobicContact CB-CE2 4.19Å; F410-Y423 HydrophobicContact CB-CG 4.17Å; F410-Y423 HydrophobicContact CD2-CD2 4.41Å; F410-Y423 AromaticContact CD2-CE2 3.74Å; F410-Y423 HydrophobicContact CD2-CE2 3.74Å; F410-Y423 AromaticContact CD2-CZ 3.82Å; F410-Y423 HydrophobicContact CG-CE2 4.4Å; P416-Y423 WeakPolarHBondContact CA-OH 3.41Å; V421-Y423 HydrophobicContact CB-CE2 3.77Å; V421-Y423 HydrophobicContact CG1-CD1 4.35Å; V421-Y423 HydrophobicContact CG1-CD2 4.22Å; V421-Y423 HydrophobicContact CG1-CE1 3.75Å; V421-Y423 HydrophobicContact CG1-CE2 3.6Å; V421-Y423 WeakPolarHBondContact CG1-OH 3.12Å
424	C	95.2	Very high	88.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	143	162.2	172.9	0	0	0	0	108.1	R247 M251 Y304 Q305 S426 D427	R247-C424 PolarHBondContact NH2-SG 2.79Å; M251-C424 HydrophobicContact CE-CB 4.05Å; M251-C424 VanDerWaalsContact CE-N 3.26Å; Y304-C424 VanDerWaalsContact C-SG 3.54Å; Y304-C424 WeakPolarHBondContact CA-SG 3.35Å; Y304-C424 PolarHBondContact O-SG 3.17Å; Q305-C424 CarbonylContact O-C 3.59Å; Q305-C424 WeakPolarHBondContact O-CA 3.28Å; C424-S426 VanDerWaalsContact C-N 3.26Å; C424-S426 PolarHBondContact O-N 3.2Å; C424-S426 PolarHBondContact SG-OG 3.02Å; C424-D427 HydrophobicContact CB-CB 4.45Å; C424-D427 VanDerWaalsContact CB-OD2 3.29Å; C424-D427 WeakPolarHBondContact CB-OD2 3.21Å; C424-D427 WeakPolarHBondContact O-CA 3.48Å; C424-D427 WeakPolarHBondContact O-CB 3.5Å; C424-D427 PolarHBondContact O-N 3.47Å
425	L	96.1	Very high	89.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-58.1	-38.1	-175.3	-61.3	-171.5	0	0	0	112.9	Q305 I307 D427 I428 L437 L453 I458 I461	Q305-L425 HydrophobicContact CB-CD1 3.81Å; Q305-L425 HydrophobicContact CB-CG 4.07Å; Q305-L425 WeakPolarHBondContact O-CG 3.29Å; Q305-L425 PolarHBondContact O-N 3.39Å; I307-L425 HydrophobicContact CB-CD2 4.12Å; I307-L425 HydrophobicContact CG2-CD2 3.96Å; L425-D427 PolarHBondContact O-N 3.21Å; L425-D427 VanDerWaalsContact O-N 3.11Å; L425-I428 HydrophobicContact CD2-CD1 3.84Å; L425-I428 PolarHBondContact O-N 3.02Å; L425-L437 HydrophobicContact CB-CD1 3.96Å; L425-L437 HydrophobicContact CB-CD2 4.04Å; L425-L437 HydrophobicContact CD1-CD2 4.02Å; L425-L453 HydrophobicContact CD1-CD1 3.74Å; L425-L453 HydrophobicContact CD1-CD2 4.47Å; L425-L453 HydrophobicContact CD1-CG 4.45Å; L425-I458 HydrophobicContact CD1-CD1 4.42Å; L425-I461 HydrophobicContact CD1-CD1 3.92Å; L425-I461 HydrophobicContact CD2-CD1 3.85Å; L425-I461 HydrophobicContact CD2-CG2 4.13Å
426	S	94.1	Very high	89.8	Confident	39 Å²	39	39.6 Å²	39.6	27%	0.273	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-58.6	-21.9	174.1	64.9	0	0	0	0	114.2	R247 R303 C424	R247-S426 PolarHBondContact NH1-OG 3.22Å; R303-S426 WeakPolarHBondContact O-CB 3.39Å; R303-S426 PolarHBondContact O-N 3.35Å; C424-S426 VanDerWaalsContact C-N 3.26Å; C424-S426 PolarHBondContact O-N 3.2Å; C424-S426 PolarHBondContact SG-OG 3.02Å
427	D	94.2	Very high	90.4	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.053	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-99.5	9.5	-173.2	-52.9	-26.5	0	0	0	111.5	R247 Y408 R409 F410 C424 L425	R247-D427 IonicContact CZ-OD1 2.73Å; R247-D427 IonicContact CZ-OD2 3.22Å; R247-D427 IonicContact NH1-OD1 3.54Å; R247-D427 PolarHBondContact NH1-OD1 3.14Å; R247-D427 IonicContact NH1-OD2 3.4Å; R247-D427 PolarHBondContact NH1-OD2 3.23Å; R247-D427 VanDerWaalsContact NH1-OD2 3.16Å; R247-D427 IonicContact NH2-OD2 3.94Å; R247-D427 PolarHBondContact NH2-OD2 3.4Å; Y408-D427 HydrophobicContact CD2-CB 3.97Å; Y408-D427 WeakPolarHBondContact CD2-OD2 3.47Å; Y408-D427 HydrophobicContact CE2-CB 3.89Å; Y408-D427 WeakPolarHBondContact CE2-OD2 3.29Å; R409-D427 VanDerWaalsContact CA-O 3.22Å; R409-D427 WeakPolarHBondContact CA-O 3.43Å; R409-D427 WeakPolarHBondContact CB-O 3.31Å; R409-D427 HydrophobicContact CG-CB 4.36Å; F410-D427 PolarHBondContact N-O 2.89Å; C424-D427 HydrophobicContact CB-CB 4.45Å; C424-D427 VanDerWaalsContact CB-OD2 3.29Å; C424-D427 WeakPolarHBondContact CB-OD2 3.21Å; C424-D427 WeakPolarHBondContact O-CA 3.48Å; C424-D427 WeakPolarHBondContact O-CB 3.5Å; C424-D427 PolarHBondContact O-N 3.47Å; L425-D427 PolarHBondContact O-N 3.21Å; L425-D427 VanDerWaalsContact O-N 3.11Å
428	I	94.8	Very high	91.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-100.7	109.9	178.7	-59.5	172	0	0	0	110.1	I307 F410 L425 I430 V433 Q434 I461 L465	I307-I428 HydrophobicContact CG2-CD1 3.83Å; F410-I428 HydrophobicContact CB-CG1 4.4Å; F410-I428 HydrophobicContact CB-CG2 4.49Å; F410-I428 HydrophobicContact CD1-CG2 4.27Å; L425-I428 HydrophobicContact CD2-CD1 3.84Å; L425-I428 PolarHBondContact O-N 3.02Å; I428-I430 HydrophobicContact CG2-CB 3.97Å; I428-I430 HydrophobicContact CG2-CD1 3.96Å; I428-I430 HydrophobicContact CG2-CG1 3.82Å; I428-I430 PolarHBondContact O-N 2.97Å; I428-V433 HydrophobicContact CB-CG1 4.16Å; I428-V433 HydrophobicContact CD1-CG1 4.37Å; I428-V433 HydrophobicContact CG2-CB 4.16Å; I428-V433 HydrophobicContact CG2-CG1 4.09Å; I428-V433 HydrophobicContact CG2-CG2 4.1Å; I428-Q434 PolarHBondContact O-NE2 2.78Å; I428-I461 HydrophobicContact CD1-CG2 4.01Å; I428-L465 HydrophobicContact CD1-CD1 4.47Å; I428-L465 HydrophobicContact CD1-CD2 4.25Å; I428-L465 HydrophobicContact CG1-CD2 4.44Å; I428-L465 HydrophobicContact CG2-CD2 3.77Å
429	E	92.7	Very high	92.1	Very high	74 Å²	74	44 Å²	44	35%	0.346	22%	0.224	S	C	.	.			trans	-84.1	49.1	-179.5	-57.8	177.6	175.1	0	0	111.8	R409 F410	R409-E429 VanDerWaalsContact CD-OE1 3.25Å; R409-E429 WeakPolarHBondContact CD-OE1 3.39Å; R409-E429 IonicContact NH1-OE1 3.81Å; R409-E429 PolarHBondContact NH1-OE1 3Å; F410-E429 WeakPolarHBondContact O-CB 3.34Å; F410-E429 PolarHBondContact O-N 3.4Å
430	I	94.5	Very high	92.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.			trans	-108.4	123.3	172	-66	178.8	0	0	0	108.5	F410 I428 E432 V433 Q434 L464 L465 Y468 W472	F410-I430 HydrophobicContact CD1-CD1 4.05Å; F410-I430 HydrophobicContact CD1-CG1 4.22Å; F410-I430 HydrophobicContact CE1-CD1 3.75Å; F410-I430 HydrophobicContact CE1-CG1 4.2Å; I428-I430 HydrophobicContact CG2-CB 3.97Å; I428-I430 HydrophobicContact CG2-CD1 3.96Å; I428-I430 HydrophobicContact CG2-CG1 3.82Å; I428-I430 PolarHBondContact O-N 2.97Å; I430-E432 VanDerWaalsContact C-N 3.31Å; I430-E432 HydrophobicContact CG2-CB 4.35Å; I430-E432 WeakPolarHBondContact CG2-OE2 3.48Å; I430-E432 PolarHBondContact O-N 3.47Å; I430-V433 HydrophobicContact CB-CB 4.06Å; I430-V433 HydrophobicContact CB-CG2 3.74Å; I430-V433 HydrophobicContact CD1-CG2 4.32Å; I430-V433 HydrophobicContact CG2-CB 4.37Å; I430-V433 HydrophobicContact CG2-CG2 3.81Å; I430-V433 PolarHBondContact O-N 3.11Å; I430-Q434 PolarHBondContact O-N 3.13Å; I430-L464 HydrophobicContact CD1-CB 4.32Å; I430-L465 HydrophobicContact CD1-CD2 3.8Å; I430-L465 HydrophobicContact CD1-CG 4.39Å; I430-Y468 HydrophobicContact CD1-CD2 3.9Å; I430-Y468 HydrophobicContact CD1-CG 4Å; I430-Y468 HydrophobicContact CG1-CD1 4.48Å; I430-Y468 HydrophobicContact CG1-CD2 4.18Å; I430-Y468 HydrophobicContact CG1-CG 4.09Å; I430-Y468 HydrophobicContact CG2-CD2 3.78Å; I430-Y468 HydrophobicContact CG2-CE2 3.51Å; I430-Y468 HydrophobicContact CG2-CG 4.42Å; I430-W472 HydrophobicContact CG1-CH2 4.47Å
431	P	94.3	Very high	92.7	Very high	88 Å²	88	43.7 Å²	43.7	57%	0.571	23%	0.233	S	C	*	.	H	α-helix	trans	-54.6	-41.4	-176.9	-27.4	35.1	0	0	0	114.3	V433 Q434 A435	P431-V433 VanDerWaalsContact C-N 3.33Å; P431-V433 PolarHBondContact O-N 2.84Å; P431-Q434 PolarHBondContact O-N 2.92Å; P431-A435 WeakPolarHBondContact O-CB 3.49Å; P431-A435 PolarHBondContact O-N 3.21Å
432	E	95	Very high	92.6	Very high	78 Å²	78	48.2 Å²	48.2	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-68.7	-33.3	179.5	-60.5	87	159.4	0	0	111.9	I430 M436 L464 Y468	I430-E432 VanDerWaalsContact C-N 3.31Å; I430-E432 HydrophobicContact CG2-CB 4.35Å; I430-E432 WeakPolarHBondContact CG2-OE2 3.48Å; I430-E432 PolarHBondContact O-N 3.47Å; E432-M436 VanDerWaalsContact O-CG 3.23Å; E432-M436 WeakPolarHBondContact O-CG 3.4Å; E432-M436 PolarHBondContact O-N 3.41Å; E432-L464 HydrophobicContact CB-CD1 3.75Å; E432-L464 HydrophobicContact CB-CD2 4.23Å; E432-L464 HydrophobicContact CG-CD2 4.36Å; E432-Y468 PolarHBondContact OE1-OH 3.13Å; E432-Y468 VanDerWaalsContact OE2-CE2 3.28Å; E432-Y468 WeakPolarHBondContact OE2-CE2 3.44Å; E432-Y468 VanDerWaalsContact OE2-CZ 3.28Å; E432-Y468 PolarHBondContact OE2-OH 2.89Å
433	V	94.9	Very high	92.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-70.7	-42.8	174.8	179.3	0	0	0	0	109.7	I428 I430 P431 A435 M436 L437 I461 L464	I428-V433 HydrophobicContact CB-CG1 4.16Å; I428-V433 HydrophobicContact CD1-CG1 4.37Å; I428-V433 HydrophobicContact CG2-CB 4.16Å; I428-V433 HydrophobicContact CG2-CG1 4.09Å; I428-V433 HydrophobicContact CG2-CG2 4.1Å; I430-V433 HydrophobicContact CB-CB 4.06Å; I430-V433 HydrophobicContact CB-CG2 3.74Å; I430-V433 HydrophobicContact CD1-CG2 4.32Å; I430-V433 HydrophobicContact CG2-CB 4.37Å; I430-V433 HydrophobicContact CG2-CG2 3.81Å; I430-V433 PolarHBondContact O-N 3.11Å; P431-V433 VanDerWaalsContact C-N 3.33Å; P431-V433 PolarHBondContact O-N 2.84Å; V433-A435 PolarHBondContact O-N 3.17Å; V433-M436 WeakPolarHBondContact O-CB 3.5Å; V433-M436 PolarHBondContact O-N 2.78Å; V433-L437 WeakPolarHBondContact O-CG 3.35Å; V433-L437 PolarHBondContact O-N 3.13Å; V433-L437 VanDerWaalsContact O-N 3.07Å; V433-I461 HydrophobicContact CG1-CD1 4.3Å; V433-I461 HydrophobicContact CG1-CG1 4.3Å; V433-I461 HydrophobicContact CG1-CG2 4.16Å; V433-I461 HydrophobicContact CG2-CB 4.49Å; V433-I461 HydrophobicContact CG2-CG1 4.26Å; V433-I461 HydrophobicContact CG2-CG2 3.96Å; V433-L464 HydrophobicContact CG2-CB 4.42Å; V433-L464 HydrophobicContact CG2-CD1 3.92Å
434	Q	94.9	Very high	91.9	Very high	67 Å²	67	52.6 Å²	52.6	31%	0.313	28%	0.284	S	S	.	.	H	α-helix	trans	-62.2	-42.9	175.5	-65.5	-60.7	-37.4	0	0	111.6	I428 I430 P431 M436 L437 E438	I428-Q434 PolarHBondContact O-NE2 2.78Å; I430-Q434 PolarHBondContact O-N 3.13Å; P431-Q434 PolarHBondContact O-N 2.92Å; Q434-M436 VanDerWaalsContact C-N 3.34Å; Q434-M436 PolarHBondContact O-N 2.82Å; Q434-L437 CarbonylContact O-C 3.55Å; Q434-L437 WeakPolarHBondContact O-CA 3.43Å; Q434-L437 WeakPolarHBondContact O-CB 3.38Å; Q434-L437 PolarHBondContact O-N 3.25Å; Q434-E438 WeakPolarHBondContact O-CG 3.31Å; Q434-E438 PolarHBondContact O-N 3.01Å; Q434-E438 VanDerWaalsContact O-N 3.13Å
435	A	94.2	Very high	91.6	Very high	48 Å²	48	60.1 Å²	60.1	40%	0.397	32%	0.319	S	S	.	.	H	α-helix	trans	-59.3	-42.8	173.9	0	0	0	0	0	112.1	P431 V433 L437 E438 E439	P431-A435 WeakPolarHBondContact O-CB 3.49Å; P431-A435 PolarHBondContact O-N 3.21Å; V433-A435 PolarHBondContact O-N 3.17Å; A435-L437 PolarHBondContact O-N 3.44Å; A435-E438 PolarHBondContact O-N 3.48Å; A435-E439 PolarHBondContact O-N 2.83Å
436	M	93	Very high	91.4	Very high	19 Å²	19	62.2 Å²	62.2	9%	0.094	33%	0.33	C	S	.	.	H	α-helix	trans	-61.7	-29.7	174.3	-73.5	173.9	62.4	0	0	112.9	E432 V433 Q434 E438 K460 I461 L464	E432-M436 VanDerWaalsContact O-CG 3.23Å; E432-M436 WeakPolarHBondContact O-CG 3.4Å; E432-M436 PolarHBondContact O-N 3.41Å; V433-M436 WeakPolarHBondContact O-CB 3.5Å; V433-M436 PolarHBondContact O-N 2.78Å; Q434-M436 VanDerWaalsContact C-N 3.34Å; Q434-M436 PolarHBondContact O-N 2.82Å; M436-E438 VanDerWaalsContact C-N 3.34Å; M436-K460 HydrophobicContact CE-CB 4.44Å; M436-K460 HydrophobicContact CE-CD 4.12Å; M436-K460 HydrophobicContact SD-CD 3.86Å; M436-K460 HydrophobicContact SD-CG 4.27Å; M436-I461 HydrophobicContact CE-CD1 4.07Å; M436-I461 HydrophobicContact CE-CG1 3.77Å; M436-I461 HydrophobicContact SD-CG1 4.15Å; M436-L464 HydrophobicContact SD-CD1 4.45Å
437	L	92.4	Very high	91.3	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-82.1	-9.1	175.6	-65.5	-180	0	0	0	113.8	R302 L425 V433 Q434 A435 L453	R302-L437 HydrophobicContact CG-CD2 4.5Å; R302-L437 VanDerWaalsContact NH2-C 3.26Å; R302-L437 PolarHBondContact NH2-O 3.1Å; L425-L437 HydrophobicContact CB-CD1 3.96Å; L425-L437 HydrophobicContact CB-CD2 4.04Å; L425-L437 HydrophobicContact CD1-CD2 4.02Å; V433-L437 WeakPolarHBondContact O-CG 3.35Å; V433-L437 PolarHBondContact O-N 3.13Å; V433-L437 VanDerWaalsContact O-N 3.07Å; Q434-L437 CarbonylContact O-C 3.55Å; Q434-L437 WeakPolarHBondContact O-CA 3.43Å; Q434-L437 WeakPolarHBondContact O-CB 3.38Å; Q434-L437 PolarHBondContact O-N 3.25Å; A435-L437 PolarHBondContact O-N 3.44Å; L437-L453 HydrophobicContact CD2-CD2 4.37Å
438	E	91.6	Very high	91.2	Very high	142 Å²	142	65.5 Å²	65.5	66%	0.664	35%	0.348	S	S	*	.	H	α-helix	trans	-96.5	-24.9	176	-71.9	176.6	179.4	0	0	113	Q434 A435 M436	Q434-E438 WeakPolarHBondContact O-CG 3.31Å; Q434-E438 PolarHBondContact O-N 3.01Å; Q434-E438 VanDerWaalsContact O-N 3.13Å; A435-E438 PolarHBondContact O-N 3.48Å; M436-E438 VanDerWaalsContact C-N 3.34Å
439	E	89.8	Confident	91.1	Very high	72 Å²	72	70.3 Å²	70.3	34%	0.336	38%	0.377	S	S	.	.	S	Bend	trans	-55.4	147.4	177.5	-69.7	179.5	-161.9	0	0	112.5	R302 A435 R454	R302-E439 PolarHBondContact NH1-O 3.35Å; R302-E439 PolarHBondContact NH2-O 2.67Å; A435-E439 PolarHBondContact O-N 2.83Å; E439-R454 IonicContact OE2-CZ 3Å; E439-R454 IonicContact OE2-NE 2.7Å; E439-R454 PolarHBondContact OE2-NE 3Å; E439-R454 IonicContact OE2-NH2 3.84Å; E439-R454 PolarHBondContact OE2-NH2 3.46Å
440	V	86.7	Confident	91.1	Very high	122 Å²	122	67.6 Å²	67.6	74%	0.739	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-67.8	134.1	177.3	-178.5	0	0	0	0	111.2	E442	V440-E442 PolarHBondContact O-N 3.28Å
441	P	85.5	Confident	91	Very high	28 Å²	28	67.6 Å²	67.6	18%	0.182	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-59.4	125.3	174.4	-20	29.9	0	0	0	111.6	P299	P299-P441 HydrophobicContact CB-CB 3.78Å; P299-P441 HydrophobicContact CB-CG 3.8Å
442	E	84.9	Confident	91.1	Very high	123 Å²	123	64 Å²	64	58%	0.575	34%	0.34	S	S	*	.			trans	-92.7	-22.7	-178.3	-66.5	-176.8	162.5	0	0	113.6	V440 R454	V440-E442 PolarHBondContact O-N 3.28Å; E442-R454 VanDerWaalsContact CD-NH2 3.35Å; E442-R454 IonicContact OE1-CZ 3.16Å; E442-R454 IonicContact OE1-NH1 2.84Å; E442-R454 PolarHBondContact OE1-NH1 3.13Å; E442-R454 IonicContact OE1-NH2 3.24Å; E442-R454 PolarHBondContact OE1-NH2 3.14Å; E442-R454 IonicContact OE2-CZ 3.38Å; E442-R454 IonicContact OE2-NH1 2.79Å; E442-R454 PolarHBondContact OE2-NH1 3Å; E442-R454 IonicContact OE2-NH2 3.85Å
443	R	87	Confident	91	Very high	61 Å²	61	60.5 Å²	60.5	23%	0.23	32%	0.324	C	S	.	.			trans	-77.6	138.3	-175.4	-69.1	-174.7	-179.7	-112	17.8	111.1	E445 D447 G451 W452 L453	R443-E445 WeakPolarHBondContact CB-O 3.06Å; R443-D447 IonicContact CZ-OD2 2.72Å; R443-D447 IonicContact NH1-OD2 2.79Å; R443-D447 PolarHBondContact NH1-OD2 3.5Å; R443-D447 IonicContact NH2-OD2 3.54Å; R443-D447 PolarHBondContact NH2-OD2 3.23Å; R443-G451 WeakPolarHBondContact CD-O 3.46Å; R443-W452 HydrophobicContact CB-CE3 4.11Å; R443-W452 HydrophobicContact CB-CZ3 4.4Å; R443-W452 WeakPolarHBondContact O-CZ3 3.42Å; R443-L453 WeakPolarHBondContact CD-O 3.31Å; R443-L453 PolarHBondContact NE-O 2.75Å
444	T	85.1	Confident	90.8	Very high	131 Å²	131	65.9 Å²	65.9	80%	0.804	35%	0.345	S	S	*	.	S	Bend	trans	-90	-25.9	169.3	51.8	0	0	0	0	112.4
445	E	88.5	Confident	90.7	Very high	158 Å²	158	67.5 Å²	67.5	74%	0.738	36%	0.361	S	S	*	.	S	Bend	trans	-123.7	146.6	180	-66	-177.7	-179.5	0	0	110.4	R443	R443-E445 WeakPolarHBondContact CB-O 3.06Å
446	I	91	Very high	90.6	Very high	44 Å²	44	67 Å²	67	23%	0.226	36%	0.36	C	S	.	.			trans	-75.1	133.6	-178.1	-175.1	169.5	0	0	0	111.8	L210 P283 W284 R296 W452	L210-I446 HydrophobicContact CD1-CD1 4.15Å; P283-I446 HydrophobicContact CG-CD1 4.33Å; W284-I446 HydrophobicContact CE3-CD1 4.47Å; W284-I446 HydrophobicContact CH2-CD1 3.39Å; W284-I446 HydrophobicContact CZ3-CD1 3.24Å; R296-I446 HydrophobicContact CB-CD1 4.29Å; R296-I446 HydrophobicContact CB-CG2 4.48Å; R296-I446 HydrophobicContact CG-CD1 4.09Å; I446-W452 HydrophobicContact CB-CZ2 4.46Å
447	D	93	Very high	90.6	Very high	36 Å²	36	66.2 Å²	66.2	19%	0.193	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-83.8	135.3	170.6	-166	-81.5	0	0	0	111	P283 R443 V449 D450 G451	P283-D447 WeakPolarHBondContact CG-O 3.5Å; R443-D447 IonicContact CZ-OD2 2.72Å; R443-D447 IonicContact NH1-OD2 2.79Å; R443-D447 PolarHBondContact NH1-OD2 3.5Å; R443-D447 IonicContact NH2-OD2 3.54Å; R443-D447 PolarHBondContact NH2-OD2 3.23Å; D447-V449 PolarHBondContact O-N 2.88Å; D447-V449 VanDerWaalsContact O-N 3.15Å; D447-V449 WeakPolarHBondContact OD1-CA 3.4Å; D447-V449 PolarHBondContact OD1-N 3.49Å; D447-D450 HydrophobicContact CB-CB 4.2Å; D447-D450 PolarHBondContact OD1-N 3.07Å; D447-G451 WeakPolarHBondContact CB-O 3.37Å; D447-G451 PolarHBondContact N-O 3.33Å; D447-G451 WeakPolarHBondContact O-CA 3.45Å; D447-G451 PolarHBondContact O-N 2.98Å
448	P	92.3	Very high	90.6	Very high	81 Å²	81	66.7 Å²	66.7	53%	0.526	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.4	-179.8	25.5	-34.1	0	0	0	113.8	L210	L210-P448 HydrophobicContact CD2-CB 3.84Å
449	V	91.5	Very high	90.7	Very high	101 Å²	101	64.4 Å²	64.4	61%	0.612	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-57.8	-178.4	-179	0	0	0	0	111.2	D447 G451	D447-V449 PolarHBondContact O-N 2.88Å; D447-V449 VanDerWaalsContact O-N 3.15Å; D447-V449 WeakPolarHBondContact OD1-CA 3.4Å; D447-V449 PolarHBondContact OD1-N 3.49Å; V449-G451 VanDerWaalsContact C-N 3.31Å
450	D	92.8	Very high	91	Very high	17 Å²	17	66.4 Å²	66.4	9%	0.091	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-9.7	-176	-77.1	-48.9	0	0	0	113.2	Q305 D447 W452 L453 P455 G456 G457 I458	Q305-D450 PolarHBondContact NE2-O 2.65Å; Q305-D450 PolarHBondContact OE1-O 3.03Å; D447-D450 HydrophobicContact CB-CB 4.2Å; D447-D450 PolarHBondContact OD1-N 3.07Å; D450-W452 PolarHBondContact O-N 2.8Å; D450-L453 WeakPolarHBondContact O-CB 3.44Å; D450-L453 PolarHBondContact O-N 3.09Å; D450-L453 VanDerWaalsContact O-N 3.1Å; D450-P455 WeakPolarHBondContact OD2-CA 3.31Å; D450-G456 PolarHBondContact OD2-N 3.45Å; D450-G457 PolarHBondContact OD1-N 3.24Å; D450-I458 WeakPolarHBondContact OD1-CB 3.38Å; D450-I458 WeakPolarHBondContact OD1-CG1 3.09Å; D450-I458 PolarHBondContact OD1-N 2.76Å
451	G	93.5	Very high	91.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	59	-118.9	-173.9	0	0	0	0	0	112.1	R443 D447 V449	R443-G451 WeakPolarHBondContact CD-O 3.46Å; D447-G451 WeakPolarHBondContact CB-O 3.37Å; D447-G451 PolarHBondContact N-O 3.33Å; D447-G451 WeakPolarHBondContact O-CA 3.45Å; D447-G451 PolarHBondContact O-N 2.98Å; V449-G451 VanDerWaalsContact C-N 3.31Å
452	W	94.8	Very high	91.8	Very high	12 Å²	12	63.3 Å²	63.3	5%	0.045	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	0.9	-179.8	-70	119.8	0	0	0	113.3	W284 P295 R296 D298 P299 R302 R443 I446 D450	W284-W452 AromaticContact CH2-CD1 3.69Å; W284-W452 AromaticContact CH2-NE1 3.76Å; W284-W452 AromaticContact CZ2-CD1 3.81Å; P295-W452 PolarHBondContact O-NE1 2.96Å; R296-W452 WeakPolarHBondContact O-CZ2 3.19Å; D298-W452 PolarHBondContact O-NE1 2.93Å; D298-W452 VanDerWaalsContact O-NE1 3.08Å; P299-W452 HydrophobicContact CB-CD2 4.23Å; P299-W452 HydrophobicContact CB-CE3 4.27Å; P299-W452 HydrophobicContact CG-CD2 4.49Å; P299-W452 HydrophobicContact CG-CE3 4.34Å; P299-W452 HydrophobicContact CG-CH2 4.15Å; P299-W452 HydrophobicContact CG-CZ2 4.24Å; P299-W452 HydrophobicContact CG-CZ3 4.2Å; R302-W452 HydrophobicContact CB-CB 3.64Å; R443-W452 HydrophobicContact CB-CE3 4.11Å; R443-W452 HydrophobicContact CB-CZ3 4.4Å; R443-W452 WeakPolarHBondContact O-CZ3 3.42Å; I446-W452 HydrophobicContact CB-CZ2 4.46Å; D450-W452 PolarHBondContact O-N 2.8Å
453	L	93.2	Very high	92.2	Very high	6 Å²	6	59.8 Å²	59.8	3%	0.031	31%	0.312	C	S	.	.	S	Bend	trans	-74.7	160.6	173.4	-62.8	177.2	0	0	0	111.2	L425 L437 R443 D450 I458 I461	L425-L453 HydrophobicContact CD1-CD1 3.74Å; L425-L453 HydrophobicContact CD1-CD2 4.47Å; L425-L453 HydrophobicContact CD1-CG 4.45Å; L437-L453 HydrophobicContact CD2-CD2 4.37Å; R443-L453 WeakPolarHBondContact CD-O 3.31Å; R443-L453 PolarHBondContact NE-O 2.75Å; D450-L453 WeakPolarHBondContact O-CB 3.44Å; D450-L453 PolarHBondContact O-N 3.09Å; D450-L453 VanDerWaalsContact O-N 3.1Å; L453-I458 HydrophobicContact CD1-CD1 3.7Å; L453-I458 HydrophobicContact CD1-CG1 4.04Å; L453-I461 HydrophobicContact CD1-CD1 3.76Å
454	R	91.9	Very high	92.6	Very high	113 Å²	113	57.7 Å²	57.7	43%	0.426	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-55.6	149.2	168.2	-65.8	177.4	-174.6	-94.4	-5.6	110.4	E439 E442 G456 G457	E439-R454 IonicContact OE2-CZ 3Å; E439-R454 IonicContact OE2-NE 2.7Å; E439-R454 PolarHBondContact OE2-NE 3Å; E439-R454 IonicContact OE2-NH2 3.84Å; E439-R454 PolarHBondContact OE2-NH2 3.46Å; E442-R454 VanDerWaalsContact CD-NH2 3.35Å; E442-R454 IonicContact OE1-CZ 3.16Å; E442-R454 IonicContact OE1-NH1 2.84Å; E442-R454 PolarHBondContact OE1-NH1 3.13Å; E442-R454 IonicContact OE1-NH2 3.24Å; E442-R454 PolarHBondContact OE1-NH2 3.14Å; E442-R454 IonicContact OE2-CZ 3.38Å; E442-R454 IonicContact OE2-NH1 2.79Å; E442-R454 PolarHBondContact OE2-NH1 3Å; E442-R454 IonicContact OE2-NH2 3.85Å; R454-G456 PolarHBondContact O-N 2.67Å; R454-G457 WeakPolarHBondContact O-CA 3.31Å; R454-G457 PolarHBondContact O-N 3.36Å
455	P	91.4	Very high	92.9	Very high	101 Å²	101	51.4 Å²	51.4	66%	0.656	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	128.4	174	-23.9	30.9	0	0	0	112.3	D450 G457	D450-P455 WeakPolarHBondContact OD2-CA 3.31Å; P455-G457 VanDerWaalsContact C-N 3.29Å
456	G	91.9	Very high	93	Very high	36 Å²	36	44.4 Å²	44.4	37%	0.371	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	5.3	-175.8	0	0	0	0	0	114.9	D450 R454 I458 K459 K460	D450-G456 PolarHBondContact OD2-N 3.45Å; R454-G456 PolarHBondContact O-N 2.67Å; G456-I458 PolarHBondContact O-N 2.59Å; G456-K459 PolarHBondContact O-N 2.9Å; G456-K460 PolarHBondContact O-N 3.15Å
457	G	92.6	Very high	93.1	Very high	4 Å²	4	47.2 Å²	47.2	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-45.9	180	0	0	0	0	0	112.6	D450 R454 P455 K459 K460 I461	D450-G457 PolarHBondContact OD1-N 3.24Å; R454-G457 WeakPolarHBondContact O-CA 3.31Å; R454-G457 PolarHBondContact O-N 3.36Å; P455-G457 VanDerWaalsContact C-N 3.29Å; G457-K459 VanDerWaalsContact C-N 3.31Å; G457-K459 PolarHBondContact O-N 3.15Å; G457-K460 PolarHBondContact O-N 2.83Å; G457-I461 VanDerWaalsContact O-CG1 3.31Å; G457-I461 WeakPolarHBondContact O-CG1 3.47Å; G457-I461 PolarHBondContact O-N 3.12Å
458	I	93.7	Very high	93	Very high	13 Å²	13	47.3 Å²	47.3	7%	0.067	25%	0.247	C	C	.	.	H	α-helix	trans	-64	-38.8	178.7	-67	-68.5	0	0	0	111.3	I307 L425 D450 L453 G456 I461 R462	I307-I458 HydrophobicContact CD1-CG2 4.15Å; I307-I458 HydrophobicContact CG1-CG2 4.23Å; L425-I458 HydrophobicContact CD1-CD1 4.42Å; D450-I458 WeakPolarHBondContact OD1-CB 3.38Å; D450-I458 WeakPolarHBondContact OD1-CG1 3.09Å; D450-I458 PolarHBondContact OD1-N 2.76Å; L453-I458 HydrophobicContact CD1-CD1 3.7Å; L453-I458 HydrophobicContact CD1-CG1 4.04Å; G456-I458 PolarHBondContact O-N 2.59Å; I458-I461 PolarHBondContact O-N 2.92Å; I458-R462 PolarHBondContact O-N 3.48Å
459	K	94.1	Very high	92.8	Very high	93 Å²	93	43.5 Å²	43.5	40%	0.404	22%	0.222	S	C	.	.	H	α-helix	trans	-62.4	-47.8	176.1	-175.8	178.1	-179.2	172.4	0	111.1	S365 G456 G457 I461 R462 D463	S365-K459 WeakPolarHBondContact O-CE 3.49Å; S365-K459 PolarHBondContact O-NZ 2.79Å; S365-K459 WeakPolarHBondContact OG-CE 3.2Å; G456-K459 PolarHBondContact O-N 2.9Å; G457-K459 VanDerWaalsContact C-N 3.31Å; G457-K459 PolarHBondContact O-N 3.15Å; K459-I461 VanDerWaalsContact C-N 3.34Å; K459-I461 PolarHBondContact O-N 2.93Å; K459-R462 WeakPolarHBondContact O-CB 3.33Å; K459-R462 PolarHBondContact O-N 3.02Å; K459-R462 VanDerWaalsContact O-N 3.13Å; K459-D463 PolarHBondContact O-N 2.98Å
460	K	95	Very high	92.5	Very high	115 Å²	115	41.5 Å²	41.5	50%	0.5	21%	0.205	S	C	.	.	H	α-helix	trans	-59.1	-42.8	177.6	-175	178.7	176.4	-170.7	0	112.1	M436 G456 G457 R462 D463 L464	M436-K460 HydrophobicContact CE-CB 4.44Å; M436-K460 HydrophobicContact CE-CD 4.12Å; M436-K460 HydrophobicContact SD-CD 3.86Å; M436-K460 HydrophobicContact SD-CG 4.27Å; G456-K460 PolarHBondContact O-N 3.15Å; G457-K460 PolarHBondContact O-N 2.83Å; K460-R462 VanDerWaalsContact C-N 3.35Å; K460-R462 PolarHBondContact O-N 2.87Å; K460-D463 PolarHBondContact O-N 2.96Å; K460-L464 HydrophobicContact CG-CD1 4.48Å; K460-L464 WeakPolarHBondContact O-CG 3.15Å; K460-L464 PolarHBondContact O-N 3.36Å
461	I	95.5	Very high	92.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.3	-42.9	175.8	-65	169	0	0	0	110.6	I307 L425 I428 V433 M436 L453 G457 I458 K459 D463 L464 L465	I307-I461 HydrophobicContact CD1-CB 3.96Å; I307-I461 HydrophobicContact CD1-CG2 3.64Å; L425-I461 HydrophobicContact CD1-CD1 3.92Å; L425-I461 HydrophobicContact CD2-CD1 3.85Å; L425-I461 HydrophobicContact CD2-CG2 4.13Å; I428-I461 HydrophobicContact CD1-CG2 4.01Å; V433-I461 HydrophobicContact CG1-CD1 4.3Å; V433-I461 HydrophobicContact CG1-CG1 4.3Å; V433-I461 HydrophobicContact CG1-CG2 4.16Å; V433-I461 HydrophobicContact CG2-CB 4.49Å; V433-I461 HydrophobicContact CG2-CG1 4.26Å; V433-I461 HydrophobicContact CG2-CG2 3.96Å; M436-I461 HydrophobicContact CE-CD1 4.07Å; M436-I461 HydrophobicContact CE-CG1 3.77Å; M436-I461 HydrophobicContact SD-CG1 4.15Å; L453-I461 HydrophobicContact CD1-CD1 3.76Å; G457-I461 VanDerWaalsContact O-CG1 3.31Å; G457-I461 WeakPolarHBondContact O-CG1 3.47Å; G457-I461 PolarHBondContact O-N 3.12Å; I458-I461 PolarHBondContact O-N 2.92Å; K459-I461 VanDerWaalsContact C-N 3.34Å; K459-I461 PolarHBondContact O-N 2.93Å; I461-D463 VanDerWaalsContact C-N 3.3Å; I461-D463 PolarHBondContact O-N 3.37Å; I461-L464 PolarHBondContact O-N 3.1Å; I461-L465 HydrophobicContact CG2-CD1 4.42Å; I461-L465 HydrophobicContact CG2-CG 4.49Å; I461-L465 WeakPolarHBondContact O-CG 3.42Å; I461-L465 PolarHBondContact O-N 3.24Å
462	R	93.8	Very high	92	Very high	85 Å²	85	46.6 Å²	46.6	32%	0.321	23%	0.226	S	C	.	.	H	α-helix	trans	-59.8	-41.1	176.5	-165.2	179.6	-65.1	110.5	0.3	112.3	I307 D308 F309 I458 K459 K460 L465 G466	I307-R462 HydrophobicContact CD1-CB 4.1Å; D308-R462 PolarHBondContact O-NE 3.01Å; F309-R462 HydrophobicContact CD2-CG 4.21Å; I458-R462 PolarHBondContact O-N 3.48Å; K459-R462 WeakPolarHBondContact O-CB 3.33Å; K459-R462 PolarHBondContact O-N 3.02Å; K459-R462 VanDerWaalsContact O-N 3.13Å; K460-R462 VanDerWaalsContact C-N 3.35Å; K460-R462 PolarHBondContact O-N 2.87Å; R462-L465 PolarHBondContact O-N 3.41Å; R462-G466 PolarHBondContact O-N 3.4Å; R462-G466 VanDerWaalsContact O-N 3.12Å
463	D	93.5	Very high	91.3	Very high	49 Å²	49	46.4 Å²	46.4	26%	0.262	23%	0.225	S	C	.	.	H	α-helix	trans	-65.3	-42.4	177.6	-66.1	-18.2	0	0	0	111.4	S365 K459 K460 I461 G466 Q467	S365-D463 WeakPolarHBondContact CB-OD1 3.48Å; S365-D463 PolarHBondContact OG-OD1 2.97Å; S365-D463 PolarHBondContact OG-OD2 3.2Å; S365-D463 VanDerWaalsContact OG-OD2 3.09Å; K459-D463 PolarHBondContact O-N 2.98Å; K460-D463 PolarHBondContact O-N 2.96Å; I461-D463 VanDerWaalsContact C-N 3.3Å; I461-D463 PolarHBondContact O-N 3.37Å; D463-G466 PolarHBondContact O-N 3.01Å; D463-Q467 VanDerWaalsContact O-CG 3.28Å; D463-Q467 WeakPolarHBondContact O-CG 3.4Å; D463-Q467 PolarHBondContact O-N 3.16Å
464	L	94.7	Very high	90.8	Very high	16 Å²	16	48.9 Å²	48.9	8%	0.084	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-45	174.7	-72.3	168	0	0	0	111.7	I430 E432 V433 M436 K460 I461 G466 Q467 Y468	I430-L464 HydrophobicContact CD1-CB 4.32Å; E432-L464 HydrophobicContact CB-CD1 3.75Å; E432-L464 HydrophobicContact CB-CD2 4.23Å; E432-L464 HydrophobicContact CG-CD2 4.36Å; V433-L464 HydrophobicContact CG2-CB 4.42Å; V433-L464 HydrophobicContact CG2-CD1 3.92Å; M436-L464 HydrophobicContact SD-CD1 4.45Å; K460-L464 HydrophobicContact CG-CD1 4.48Å; K460-L464 WeakPolarHBondContact O-CG 3.15Å; K460-L464 PolarHBondContact O-N 3.36Å; I461-L464 PolarHBondContact O-N 3.1Å; L464-G466 VanDerWaalsContact C-N 3.29Å; L464-G466 PolarHBondContact O-N 2.77Å; L464-Q467 PolarHBondContact O-N 2.86Å; L464-Y468 HydrophobicContact CD2-CE2 4.37Å; L464-Y468 WeakPolarHBondContact O-CB 3.43Å; L464-Y468 WeakPolarHBondContact O-CD2 3.48Å; L464-Y468 PolarHBondContact O-N 2.86Å
465	L	92.7	Very high	90.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-55.6	-44.9	175	-68.7	172.4	0	0	0	111.3	I307 F309 F410 I428 I430 I461 R462 L469	I307-L465 HydrophobicContact CD1-CD1 4.11Å; I307-L465 HydrophobicContact CG2-CD1 4.22Å; F309-L465 HydrophobicContact CB-CD1 4.07Å; F309-L465 HydrophobicContact CD2-CB 3.7Å; F309-L465 HydrophobicContact CD2-CD1 3.79Å; F309-L465 HydrophobicContact CD2-CG 4.4Å; F309-L465 HydrophobicContact CE2-CB 3.5Å; F309-L465 VanDerWaalsContact CE2-CB 3.5Å; F309-L465 HydrophobicContact CE2-CD1 4.46Å; F309-L465 HydrophobicContact CG-CB 4.33Å; F309-L465 HydrophobicContact CG-CD1 3.98Å; F309-L465 HydrophobicContact CZ-CB 3.96Å; F410-L465 HydrophobicContact CB-CD2 4.21Å; F410-L465 HydrophobicContact CD1-CD2 3.27Å; F410-L465 HydrophobicContact CD2-CD2 3.86Å; F410-L465 HydrophobicContact CE1-CB 4.47Å; F410-L465 HydrophobicContact CE1-CD2 3.43Å; F410-L465 VanDerWaalsContact CE1-CD2 3.43Å; F410-L465 HydrophobicContact CE2-CD2 3.97Å; F410-L465 HydrophobicContact CG-CD2 3.5Å; F410-L465 VanDerWaalsContact CG-CD2 3.5Å; F410-L465 HydrophobicContact CZ-CB 4.18Å; F410-L465 HydrophobicContact CZ-CD2 3.77Å; F410-L465 WeakPolarHBondContact CZ-O 3.19Å; I428-L465 HydrophobicContact CD1-CD1 4.47Å; I428-L465 HydrophobicContact CD1-CD2 4.25Å; I428-L465 HydrophobicContact CG1-CD2 4.44Å; I428-L465 HydrophobicContact CG2-CD2 3.77Å; I430-L465 HydrophobicContact CD1-CD2 3.8Å; I430-L465 HydrophobicContact CD1-CG 4.39Å; I461-L465 HydrophobicContact CG2-CD1 4.42Å; I461-L465 HydrophobicContact CG2-CG 4.49Å; I461-L465 WeakPolarHBondContact O-CG 3.42Å; I461-L465 PolarHBondContact O-N 3.24Å; R462-L465 PolarHBondContact O-N 3.41Å; L465-L469 WeakPolarHBondContact O-CB 3.38Å; L465-L469 PolarHBondContact O-N 2.8Å
466	G	90.9	Very high	89.7	Confident	11 Å²	11	46.9 Å²	46.9	11%	0.113	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-44.3	176.6	0	0	0	0	0	113.3	R462 D463 L464 K470	R462-G466 PolarHBondContact O-N 3.4Å; R462-G466 VanDerWaalsContact O-N 3.12Å; D463-G466 PolarHBondContact O-N 3.01Å; L464-G466 VanDerWaalsContact C-N 3.29Å; L464-G466 PolarHBondContact O-N 2.77Å; G466-K470 WeakPolarHBondContact O-CB 3.46Å; G466-K470 PolarHBondContact O-N 3.25Å
467	Q	91.3	Very high	88.5	Confident	102 Å²	102	48.1 Å²	48.1	48%	0.477	23%	0.233	S	C	.	.	H	α-helix	trans	-64.4	-47.3	179	-71.9	171.7	39.2	0	0	112.2	D463 L464 K470 K471	D463-Q467 VanDerWaalsContact O-CG 3.28Å; D463-Q467 WeakPolarHBondContact O-CG 3.4Å; D463-Q467 PolarHBondContact O-N 3.16Å; L464-Q467 PolarHBondContact O-N 2.86Å; Q467-K470 PolarHBondContact O-N 3.4Å; Q467-K471 WeakPolarHBondContact O-CB 3.46Å; Q467-K471 PolarHBondContact O-N 2.88Å
468	Y	91.7	Very high	86.8	Confident	38 Å²	38	53.5 Å²	53.5	15%	0.149	27%	0.268	C	S	.	.	H	α-helix	trans	-67	-40.9	178.6	-89	-92	0	0	0	111.9	I430 E432 L464 K470 K471 W472	I430-Y468 HydrophobicContact CD1-CD2 3.9Å; I430-Y468 HydrophobicContact CD1-CG 4Å; I430-Y468 HydrophobicContact CG1-CD1 4.48Å; I430-Y468 HydrophobicContact CG1-CD2 4.18Å; I430-Y468 HydrophobicContact CG1-CG 4.09Å; I430-Y468 HydrophobicContact CG2-CD2 3.78Å; I430-Y468 HydrophobicContact CG2-CE2 3.51Å; I430-Y468 HydrophobicContact CG2-CG 4.42Å; E432-Y468 PolarHBondContact OE1-OH 3.13Å; E432-Y468 VanDerWaalsContact OE2-CE2 3.28Å; E432-Y468 WeakPolarHBondContact OE2-CE2 3.44Å; E432-Y468 VanDerWaalsContact OE2-CZ 3.28Å; E432-Y468 PolarHBondContact OE2-OH 2.89Å; L464-Y468 HydrophobicContact CD2-CE2 4.37Å; L464-Y468 WeakPolarHBondContact O-CB 3.43Å; L464-Y468 WeakPolarHBondContact O-CD2 3.48Å; L464-Y468 PolarHBondContact O-N 2.86Å; Y468-K470 VanDerWaalsContact C-N 3.32Å; Y468-K470 PolarHBondContact O-N 3.04Å; Y468-K471 PolarHBondContact O-N 3.28Å; Y468-W472 AromaticContact CD1-CE2 3.81Å; Y468-W472 HydrophobicContact CD1-CH2 4.29Å; Y468-W472 AromaticContact CD1-CZ2 3.53Å; Y468-W472 HydrophobicContact CD1-CZ2 3.53Å; Y468-W472 AromaticContact CD1-NE1 3.99Å; Y468-W472 HydrophobicContact CE1-CZ2 4.44Å; Y468-W472 HydrophobicContact CG-CZ2 4.19Å; Y468-W472 VanDerWaalsContact O-CD2 3.25Å; Y468-W472 VanDerWaalsContact O-CG 3.23Å; Y468-W472 PolarHBondContact O-N 3.05Å
469	L	88.5	Confident	84.9	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-59	-45.1	173.7	-177.5	61.6	0	0	0	111.4	F309 V311 V316 L320 F410 W415 P416 L465 W472 I473	F309-L469 HydrophobicContact CE1-CD2 3.93Å; F309-L469 HydrophobicContact CZ-CD2 4.08Å; V311-L469 HydrophobicContact CG1-CD2 4.44Å; V311-L469 HydrophobicContact CG2-CD2 3.88Å; V316-L469 HydrophobicContact CG1-CD2 4.49Å; L320-L469 HydrophobicContact CD2-CD1 4.36Å; F410-L469 HydrophobicContact CZ-CB 4.15Å; W415-L469 HydrophobicContact CB-CD1 4.23Å; W415-L469 HydrophobicContact CD2-CD1 4.42Å; W415-L469 HydrophobicContact CG-CD1 4.19Å; P416-L469 HydrophobicContact CG-CD2 4.47Å; L465-L469 WeakPolarHBondContact O-CB 3.38Å; L465-L469 PolarHBondContact O-N 2.8Å; L469-W472 PolarHBondContact O-N 3.29Å; L469-I473 HydrophobicContact CD1-CD1 4.01Å; L469-I473 HydrophobicContact CD1-CG1 4.36Å; L469-I473 HydrophobicContact CG-CD1 3.84Å; L469-I473 WeakPolarHBondContact O-CD1 3.48Å; L469-I473 WeakPolarHBondContact O-CG1 3.35Å; L469-I473 PolarHBondContact O-N 3.01Å
470	K	84.2	Confident	82.4	Confident	58 Å²	58	62.4 Å²	62.4	25%	0.252	32%	0.318	S	S	.	.	H	α-helix	trans	-59.7	-47.7	176.4	176.1	175.3	165.5	169.4	0	111.3	F358 L361 G466 Q467 Y468 I473 S474	F358-K470 HydrophobicContact CD1-CD 3.57Å; F358-K470 HydrophobicContact CD1-CG 3.91Å; F358-K470 HydrophobicContact CE1-CD 3.94Å; F358-K470 VanDerWaalsContact CE1-CE 3.45Å; F358-K470 HydrophobicContact CE1-CG 3.77Å; F358-K470 HydrophobicContact CG-CD 4.5Å; L361-K470 HydrophobicContact CD2-CB 4.26Å; G466-K470 WeakPolarHBondContact O-CB 3.46Å; G466-K470 PolarHBondContact O-N 3.25Å; Q467-K470 PolarHBondContact O-N 3.4Å; Y468-K470 VanDerWaalsContact C-N 3.32Å; Y468-K470 PolarHBondContact O-N 3.04Å; K470-I473 PolarHBondContact O-N 3.08Å; K470-S474 PolarHBondContact O-N 2.57Å; K470-S474 PolarHBondContact O-OG 2.62Å
471	K	88.9	Confident	79.8	Confident	105 Å²	105	61.3 Å²	61.3	46%	0.457	33%	0.331	S	S	.	.	H	α-helix	trans	-57	-51.5	178.1	178.8	-179.5	172.5	-178.6	0	111.6	Q467 Y468 I473 S474 E475	Q467-K471 WeakPolarHBondContact O-CB 3.46Å; Q467-K471 PolarHBondContact O-N 2.88Å; Y468-K471 PolarHBondContact O-N 3.28Å; K471-I473 VanDerWaalsContact C-N 3.34Å; K471-I473 PolarHBondContact O-N 3.17Å; K471-S474 PolarHBondContact O-N 2.68Å; K471-E475 WeakPolarHBondContact CE-OE1 3.47Å; K471-E475 WeakPolarHBondContact CG-OE1 3.14Å; K471-E475 WeakPolarHBondContact O-CG 3.23Å; K471-E475 PolarHBondContact O-N 3.32Å
472	W	86.6	Confident	77.2	Confident	19 Å²	19	69.4 Å²	69.4	7%	0.072	37%	0.374	C	S	.	.	H	α-helix	trans	-66.2	-33.9	-178.1	-60.6	-33.5	0	0	0	113.2	F410 G411 P412 W415 I430 Y468 L469 S476	F410-W472 AromaticContact CD1-CH2 3.97Å; F410-W472 HydrophobicContact CD1-CH2 3.97Å; F410-W472 AromaticContact CD1-CZ3 3.89Å; F410-W472 HydrophobicContact CD1-CZ3 3.89Å; F410-W472 HydrophobicContact CE1-CE3 4.38Å; F410-W472 AromaticContact CE1-CH2 3.56Å; F410-W472 HydrophobicContact CE1-CH2 3.56Å; F410-W472 AromaticContact CE1-CZ3 3.27Å; F410-W472 HydrophobicContact CE1-CZ3 3.27Å; F410-W472 HydrophobicContact CZ-CE3 4.5Å; F410-W472 HydrophobicContact CZ-CH2 4.42Å; F410-W472 AromaticContact CZ-CZ3 3.72Å; F410-W472 HydrophobicContact CZ-CZ3 3.72Å; G411-W472 VanDerWaalsContact CA-CH2 3.49Å; G411-W472 VanDerWaalsContact O-CZ3 3.24Å; G411-W472 WeakPolarHBondContact O-CZ3 3.32Å; P412-W472 HydrophobicContact CB-CD2 4.3Å; P412-W472 HydrophobicContact CB-CZ2 3.97Å; P412-W472 HydrophobicContact CG-CZ2 4.37Å; W415-W472 AromaticContact CD1-CE3 3.81Å; W415-W472 HydrophobicContact CH2-CB 4.49Å; W415-W472 WeakPolarHBondContact CH2-O 3.38Å; W415-W472 HydrophobicContact CZ2-CB 3.56Å; W415-W472 WeakPolarHBondContact CZ2-O 3.33Å; W415-W472 AromaticContact NE1-CE3 3.67Å; I430-W472 HydrophobicContact CG1-CH2 4.47Å; Y468-W472 AromaticContact CD1-CE2 3.81Å; Y468-W472 HydrophobicContact CD1-CH2 4.29Å; Y468-W472 AromaticContact CD1-CZ2 3.53Å; Y468-W472 HydrophobicContact CD1-CZ2 3.53Å; Y468-W472 AromaticContact CD1-NE1 3.99Å; Y468-W472 HydrophobicContact CE1-CZ2 4.44Å; Y468-W472 HydrophobicContact CG-CZ2 4.19Å; Y468-W472 VanDerWaalsContact O-CD2 3.25Å; Y468-W472 VanDerWaalsContact O-CG 3.23Å; Y468-W472 PolarHBondContact O-N 3.05Å; L469-W472 PolarHBondContact O-N 3.29Å; W472-S476 WeakPolarHBondContact O-CB 3.49Å; W472-S476 PolarHBondContact O-N 3.32Å; W472-S476 VanDerWaalsContact O-N 3.14Å
473	I	81.3	Confident	74.6	Confident	8 Å²	8	70.8 Å²	70.8	4%	0.041	40%	0.397	C	S	.	.	H	α-helix	trans	-63.8	-48.5	172.9	-69.6	165	0	0	0	110.3	V316 K319 W415 L469 K470 K471 E475 S476 D477	V316-I473 HydrophobicContact CG1-CD1 3.45Å; V316-I473 VanDerWaalsContact CG1-CD1 3.45Å; V316-I473 HydrophobicContact CG2-CD1 4.37Å; K319-I473 HydrophobicContact CD-CG2 4.37Å; W415-I473 HydrophobicContact CE3-CG1 4.3Å; W415-I473 HydrophobicContact CH2-CG1 4.17Å; W415-I473 HydrophobicContact CZ3-CG1 3.86Å; L469-I473 HydrophobicContact CD1-CD1 4.01Å; L469-I473 HydrophobicContact CD1-CG1 4.36Å; L469-I473 HydrophobicContact CG-CD1 3.84Å; L469-I473 WeakPolarHBondContact O-CD1 3.48Å; L469-I473 WeakPolarHBondContact O-CG1 3.35Å; L469-I473 PolarHBondContact O-N 3.01Å; K470-I473 PolarHBondContact O-N 3.08Å; K471-I473 VanDerWaalsContact C-N 3.34Å; K471-I473 PolarHBondContact O-N 3.17Å; I473-E475 VanDerWaalsContact C-N 3.3Å; I473-E475 PolarHBondContact O-N 2.98Å; I473-S476 PolarHBondContact O-N 3.47Å; I473-S476 VanDerWaalsContact O-N 3.1Å; I473-S476 PolarHBondContact O-OG 2.79Å; I473-D477 PolarHBondContact O-N 3.04Å
474	S	83.2	Confident	71.8	Confident	59 Å²	59	72.1 Å²	72.1	41%	0.413	42%	0.422	S	S	.	.	H	α-helix	trans	-61.5	-36.9	178.9	-64.3	0	0	0	0	112.7	K470 K471 S476	K470-S474 PolarHBondContact O-N 2.57Å; K470-S474 PolarHBondContact O-OG 2.62Å; K471-S474 PolarHBondContact O-N 2.68Å; S474-S476 VanDerWaalsContact C-N 3.28Å; S474-S476 PolarHBondContact O-N 2.72Å
475	E	84.3	Confident	68.9	Low	127 Å²	127	76.2 Å²	76.2	59%	0.593	46%	0.458	S	S	*	.	H	α-helix	trans	-70.2	-23.9	176.3	-71.9	169.3	177.9	0	0	112.9	K471 I473	K471-E475 WeakPolarHBondContact CE-OE1 3.47Å; K471-E475 WeakPolarHBondContact CG-OE1 3.14Å; K471-E475 WeakPolarHBondContact O-CG 3.23Å; K471-E475 PolarHBondContact O-N 3.32Å; I473-E475 VanDerWaalsContact C-N 3.3Å; I473-E475 PolarHBondContact O-N 2.98Å
476	S	74.9	Confident	66.2	Low	45 Å²	45	89.3 Å²	89.3	32%	0.315	52%	0.519	S	S	.	.	H	α-helix	trans	-87.8	-14.7	-178.7	75	0	0	0	0	115	W415 W472 I473 S474 P478	W415-S476 WeakPolarHBondContact CH2-OG 3.29Å; W472-S476 WeakPolarHBondContact O-CB 3.49Å; W472-S476 PolarHBondContact O-N 3.32Å; W472-S476 VanDerWaalsContact O-N 3.14Å; I473-S476 PolarHBondContact O-N 3.47Å; I473-S476 VanDerWaalsContact O-N 3.1Å; I473-S476 PolarHBondContact O-OG 2.79Å; S474-S476 VanDerWaalsContact C-N 3.28Å; S474-S476 PolarHBondContact O-N 2.72Å; S476-P478 VanDerWaalsContact O-CD 3.26Å; S476-P478 WeakPolarHBondContact O-CD 3.43Å
477	D	67.6	Low	65	Low	62 Å²	62	93.2 Å²	93.2	33%	0.332	54%	0.539	S	S	.	.			trans	-78.5	113.8	177.7	-84	-35.7	0	0	0	109.2	K319 I473 T479	K319-D477 IonicContact NZ-OD1 3.88Å; K319-D477 PolarHBondContact NZ-OD1 2.7Å; K319-D477 IonicContact NZ-OD2 2.79Å; K319-D477 PolarHBondContact NZ-OD2 3.28Å; I473-D477 PolarHBondContact O-N 3.04Å; D477-T479 PolarHBondContact O-N 2.79Å
478	P	55.8	Low	63.6	Low	117 Å²	117	92.7 Å²	92.7	76%	0.76	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-73.6	14.4	-173.5	28.8	-33.8	0	0	0	114.8	S476	S476-P478 VanDerWaalsContact O-CD 3.26Å; S476-P478 WeakPolarHBondContact O-CD 3.43Å
479	T	53.9	Low	62	Low	118 Å²	118	95.8 Å²	95.8	72%	0.724	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-90.1	1.7	-170.5	41	0	0	0	0	115.4	D477	D477-T479 PolarHBondContact O-N 2.79Å
480	H	42.7	Very low	60.5	Low	175 Å²	175	101.3 Å²	101.3	81%	0.81	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-119.5	5.6	-179	-95.3	-64.8	0	0	0	116
481	A	39.9	Very low	59	Low	92 Å²	92	104 Å²	104	76%	0.76	62%	0.619	S	S	*	*	S	Bend	trans	-98.7	1.7	-172.7	0	0	0	0	0	116.1
482	D	39.7	Very low	57	Low	169 Å²	169	103.9 Å²	103.9	90%	0.904	63%	0.63	S	S	*	*	S	Bend	trans	-125.4	21.4	-168.1	-119.7	2.1	0	0	0	115.9
483	S	40.1	Very low	54.9	Low	115 Å²	115	110 Å²	110	80%	0.804	67%	0.669	S	S	*	*	S	Bend	trans	-113.6	35.6	-179.6	71.8	0	0	0	0	114.5
484	G	34.6	Very low	52.9	Low	77 Å²	77	117.8 Å²	117.8	79%	0.794	72%	0.718	S	S	*	*			trans	-152.4	50.1	-174.5	0	0	0	0	0	114.2
485	A	34.8	Very low	50.3	Low	102 Å²	102	122.8 Å²	122.8	84%	0.843	74%	0.743	S	S	*	*			trans	-152.7	83.9	165.3	0	0	0	0	0	109.6
486	E	35.7	Very low	47.2	Very low	274 Å²	274	122.4 Å²	122.4	100%	1.28	76%	0.757	S	S	*	*			trans	-116.4	0	151.1	-86.9	-169.2	161	0	0	108.6

Retrieved 486 of 486 residues in 194.8 ms (Link to these results)

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