A0A3Q0KFK2_SCHMA Loading...

Mitogen-activated protein kinase

AlphaFold DB , UniProt , Accession A0A3Q0KFK2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 351 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	85.2	Confident	90.8	Very high	123 Å²	123	84.9 Å²	84.9	61%	0.606	43%	0.427	S	S	*	.				0	141.9	0	-69.3	-168	-87.8	0	0	109.1	E12 V13 V84	M1-E12 HydrophobicContact CB-CB 4.45Å; M1-E12 HydrophobicContact SD-CB 3.99Å; M1-E12 VanDerWaalsContact SD-O 3.41Å; M1-V13 CarbonylContact C-O 3.41Å; M1-V13 WeakPolarHBondContact CA-O 3.49Å; M1-V13 WeakPolarHBondContact CB-O 3.47Å; M1-V84 HydrophobicContact CE-CG1 4.25Å; M1-V84 HydrophobicContact CE-CG2 4.15Å; M1-V84 HydrophobicContact SD-CG2 3.89Å
2	V	88.3	Confident	91	Very high	64 Å²	64	80.4 Å²	80.4	39%	0.388	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	141.3	170.6	-178.1	0	0	0	0	108.3	V4 E12 V13 P15	V2-V4 HydrophobicContact CG1-CG2 4.09Å; V2-E12 WeakPolarHBondContact O-CA 3.16Å; V2-V13 PolarHBondContact N-O 3.04Å; V2-V13 PolarHBondContact O-N 2.77Å; V2-V13 VanDerWaalsContact O-N 3.09Å; V2-P15 HydrophobicContact CG2-CB 4.13Å; V2-P15 HydrophobicContact CG2-CG 3.87Å
3	R	91.2	Very high	91.1	Very high	176 Å²	176	74.2 Å²	74.2	66%	0.664	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.6	176	-68.7	-171.1	169.6	178.2	-4.3	110.3	V10 F11 E12	R3-V10 HydrophobicContact CB-CG1 4.43Å; R3-V10 HydrophobicContact CG-CG1 4.43Å; R3-F11 VanDerWaalsContact CA-O 3.32Å; R3-F11 WeakPolarHBondContact CA-O 3.42Å; R3-E12 HydrophobicContact CG-CG 4.21Å; R3-E12 IonicContact CZ-OE2 3.54Å; R3-E12 IonicContact NE-OE2 2.8Å; R3-E12 PolarHBondContact NE-OE2 3.24Å; R3-E12 IonicContact NH2-OE1 3.8Å; R3-E12 IonicContact NH2-OE2 3.92Å; R3-E12 PolarHBondContact NH2-OE2 3.22Å
4	V	92.5	Very high	91	Very high	48 Å²	48	69.7 Å²	69.7	29%	0.291	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.6	176.5	-173.1	0	0	0	0	108.5	V2 I6 F11	V2-V4 HydrophobicContact CG1-CG2 4.09Å; V4-I6 HydrophobicContact CG1-CD1 4.24Å; V4-I6 HydrophobicContact CG1-CG1 4.02Å; V4-F11 PolarHBondContact N-O 3.03Å; V4-F11 PolarHBondContact O-N 2.7Å
5	V	93.4	Very high	91.2	Very high	98 Å²	98	70.8 Å²	70.8	59%	0.594	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.6	177.6	-177.8	0	0	0	0	109.2	Q9 V10	V5-Q9 WeakPolarHBondContact CA-O 3.28Å; V5-V10 HydrophobicContact CG2-CG2 4.34Å
6	I	92.4	Very high	91.4	Very high	17 Å²	17	66.7 Å²	66.7	9%	0.087	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.2	-179.6	-58.4	172.4	0	0	0	107.6	V4 N8 Q9 F11 L20 M30 V32	V4-I6 HydrophobicContact CG1-CD1 4.24Å; V4-I6 HydrophobicContact CG1-CG1 4.02Å; I6-N8 PolarHBondContact O-N 3.08Å; I6-N8 VanDerWaalsContact O-N 3.16Å; I6-Q9 PolarHBondContact N-O 2.79Å; I6-Q9 PolarHBondContact O-N 3.21Å; I6-F11 HydrophobicContact CB-CD2 4.21Å; I6-F11 HydrophobicContact CB-CE2 4.08Å; I6-F11 HydrophobicContact CD1-CD2 4.1Å; I6-F11 HydrophobicContact CD1-CE2 4.31Å; I6-F11 HydrophobicContact CD1-CG 4.44Å; I6-F11 HydrophobicContact CG1-CD2 4.34Å; I6-L20 HydrophobicContact CD1-CB 3.47Å; I6-L20 VanDerWaalsContact CD1-CB 3.47Å; I6-L20 HydrophobicContact CD1-CD2 4.12Å; I6-L20 HydrophobicContact CD1-CG 4.45Å; I6-M30 HydrophobicContact CB-SD 4.39Å; I6-M30 HydrophobicContact CG2-SD 4.07Å; I6-V32 HydrophobicContact CD1-CB 4.45Å; I6-V32 HydrophobicContact CD1-CG1 3.78Å; I6-V32 HydrophobicContact CG2-CG1 4.28Å
7	K	90.7	Very high	91.7	Very high	118 Å²	118	63.1 Å²	63.1	51%	0.513	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.3	49.8	-176	-68.6	-162.8	176	-175.2	0	113.2	Q9 Y22 M30	K7-Q9 PolarHBondContact O-N 2.76Å; K7-Y22 HydrophobicContact CD-CD1 4.24Å; K7-Y22 HydrophobicContact CD-CD2 3.66Å; K7-Y22 HydrophobicContact CD-CE1 4.29Å; K7-Y22 HydrophobicContact CD-CE2 3.69Å; K7-Y22 HydrophobicContact CD-CG 3.92Å; K7-Y22 VanDerWaalsContact CE-CD1 3.49Å; K7-Y22 HydrophobicContact CG-CD2 4.21Å; K7-Y22 HydrophobicContact CG-CG 4.39Å; K7-Y22 PolarHBondContact NZ-OH 2.84Å; K7-M30 HydrophobicContact CB-CE 3.79Å
8	N	89.1	Confident	92	Very high	162 Å²	162	62.2 Å²	62.2	87%	0.866	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	9	-179.2	-51.6	-37.4	0	0	0	116.1	I6	I6-N8 PolarHBondContact O-N 3.08Å; I6-N8 VanDerWaalsContact O-N 3.16Å
9	Q	89.9	Confident	92.2	Very high	66 Å²	66	65.5 Å²	65.5	31%	0.308	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.7	170.1	-63.4	-161.3	26.4	0	0	110.9	V5 I6 K7 F11 M30	V5-Q9 WeakPolarHBondContact CA-O 3.28Å; I6-Q9 PolarHBondContact N-O 2.79Å; I6-Q9 PolarHBondContact O-N 3.21Å; K7-Q9 PolarHBondContact O-N 2.76Å; Q9-F11 HydrophobicContact CB-CE2 4.24Å; Q9-M30 HydrophobicContact CB-CE 4.08Å; Q9-M30 HydrophobicContact CB-SD 4.37Å; Q9-M30 HydrophobicContact CG-CE 3.71Å
10	V	92.1	Very high	92.4	Very high	62 Å²	62	63.2 Å²	63.2	38%	0.376	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	121.3	176	-177.1	0	0	0	0	109.1	R3 V5 E12 K47	R3-V10 HydrophobicContact CB-CG1 4.43Å; R3-V10 HydrophobicContact CG-CG1 4.43Å; V5-V10 HydrophobicContact CG2-CG2 4.34Å; V10-E12 HydrophobicContact CG1-CG 4.14Å; V10-K47 PolarHBondContact O-NZ 3.37Å
11	F	93.9	Very high	92.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.8	168.7	-77.4	-109.3	0	0	0	108.6	R3 V4 I6 Q9 V13 L20 M30 V32 K47 Y95	R3-F11 VanDerWaalsContact CA-O 3.32Å; R3-F11 WeakPolarHBondContact CA-O 3.42Å; V4-F11 PolarHBondContact N-O 3.03Å; V4-F11 PolarHBondContact O-N 2.7Å; I6-F11 HydrophobicContact CB-CD2 4.21Å; I6-F11 HydrophobicContact CB-CE2 4.08Å; I6-F11 HydrophobicContact CD1-CD2 4.1Å; I6-F11 HydrophobicContact CD1-CE2 4.31Å; I6-F11 HydrophobicContact CD1-CG 4.44Å; I6-F11 HydrophobicContact CG1-CD2 4.34Å; Q9-F11 HydrophobicContact CB-CE2 4.24Å; F11-V13 HydrophobicContact CB-CG1 4.49Å; F11-L20 HydrophobicContact CB-CD2 3.97Å; F11-L20 HydrophobicContact CD1-CD2 4.04Å; F11-L20 HydrophobicContact CG-CD2 4.14Å; F11-M30 HydrophobicContact CE2-CG 4.34Å; F11-M30 HydrophobicContact CE2-SD 3.58Å; F11-M30 VanDerWaalsContact CE2-SD 3.58Å; F11-M30 HydrophobicContact CZ-CB 4.03Å; F11-M30 HydrophobicContact CZ-CG 3.92Å; F11-M30 HydrophobicContact CZ-SD 3.78Å; F11-V32 HydrophobicContact CD1-CG2 4.12Å; F11-V32 HydrophobicContact CE1-CB 4.37Å; F11-V32 HydrophobicContact CE1-CG1 3.75Å; F11-V32 HydrophobicContact CE1-CG2 3.63Å; F11-V32 HydrophobicContact CE2-CG1 4.09Å; F11-V32 HydrophobicContact CZ-CG1 3.47Å; F11-V32 VanDerWaalsContact CZ-CG1 3.47Å; F11-V32 HydrophobicContact CZ-CG2 4.26Å; F11-K47 HydrophobicContact CD1-CB 4.47Å; F11-K47 HydrophobicContact CD1-CD 4.47Å; F11-K47 HydrophobicContact CE1-CB 3.73Å; F11-K47 HydrophobicContact CE1-CD 4.23Å; F11-K47 HydrophobicContact CE2-CD 4.37Å; F11-K47 HydrophobicContact CZ-CB 4.02Å; F11-K47 HydrophobicContact CZ-CD 4.16Å; F11-Y95 HydrophobicContact CB-CE1 4.36Å; F11-Y95 HydrophobicContact CD1-CD1 4.13Å; F11-Y95 AromaticContact CD1-CE1 3.55Å; F11-Y95 HydrophobicContact CD1-CE1 3.55Å; F11-Y95 HydrophobicContact CE1-CD1 4.46Å; F11-Y95 HydrophobicContact CE1-CE1 4.1Å; F11-Y95 HydrophobicContact CG-CE1 4.2Å
12	E	93.3	Very high	93	Very high	31 Å²	31	62.1 Å²	62.1	15%	0.145	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	91.3	173.1	-53.9	-162.1	-126.7	0	0	108.4	M1 V2 R3 V10 V84 Y95	M1-E12 HydrophobicContact CB-CB 4.45Å; M1-E12 HydrophobicContact SD-CB 3.99Å; M1-E12 VanDerWaalsContact SD-O 3.41Å; V2-E12 WeakPolarHBondContact O-CA 3.16Å; R3-E12 HydrophobicContact CG-CG 4.21Å; R3-E12 IonicContact CZ-OE2 3.54Å; R3-E12 IonicContact NE-OE2 2.8Å; R3-E12 PolarHBondContact NE-OE2 3.24Å; R3-E12 IonicContact NH2-OE1 3.8Å; R3-E12 IonicContact NH2-OE2 3.92Å; R3-E12 PolarHBondContact NH2-OE2 3.22Å; V10-E12 HydrophobicContact CG1-CG 4.14Å; E12-V84 HydrophobicContact CB-CG2 3.97Å; E12-Y95 PolarHBondContact N-OH 3.4Å
13	V	92.2	Very high	93.1	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	163.1	-175	-64.2	0	0	0	0	111.6	M1 V2 F11 Y17 L20 I82 Y95	M1-V13 CarbonylContact C-O 3.41Å; M1-V13 WeakPolarHBondContact CA-O 3.49Å; M1-V13 WeakPolarHBondContact CB-O 3.47Å; V2-V13 PolarHBondContact N-O 3.04Å; V2-V13 PolarHBondContact O-N 2.77Å; V2-V13 VanDerWaalsContact O-N 3.09Å; F11-V13 HydrophobicContact CB-CG1 4.49Å; V13-Y17 HydrophobicContact CB-CD2 4.47Å; V13-L20 HydrophobicContact CG1-CD2 4.39Å; V13-L20 HydrophobicContact CG2-CD1 4.28Å; V13-L20 HydrophobicContact CG2-CD2 4.02Å; V13-I82 HydrophobicContact CB-CD1 4.44Å; V13-I82 HydrophobicContact CG1-CD1 4.48Å; V13-Y95 HydrophobicContact CG1-CD1 4.07Å; V13-Y95 HydrophobicContact CG1-CE1 4.11Å
14	S	90.4	Very high	92.9	Very high	11 Å²	11	54.7 Å²	54.7	8%	0.077	30%	0.295	C	S	.	.			trans	-64.5	149.5	170.4	174.8	0	0	0	0	111	R16 Y17 D351	S14-R16 PolarHBondContact O-N 2.76Å; S14-R16 WeakPolarHBondContact OG-CB 3.37Å; S14-R16 PolarHBondContact OG-N 3.35Å; S14-Y17 PolarHBondContact O-N 3.08Å; S14-D351 WeakPolarHBondContact CB-OD1 3.37Å; S14-D351 PolarHBondContact OG-OD1 2.93Å; S14-D351 VanDerWaalsContact OG-OD1 3.12Å
15	P	92.9	Very high	92.4	Very high	86 Å²	86	58.4 Å²	58.4	56%	0.558	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-17.5	169.1	-21.9	31.5	0	0	0	114.2	V2 Y17	V2-P15 HydrophobicContact CG2-CB 4.13Å; V2-P15 HydrophobicContact CG2-CG 3.87Å; P15-Y17 PolarHBondContact O-N 3.17Å
16	R	95.4	Very high	91	Very high	5 Å²	5	55.8 Å²	55.8	2%	0.019	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-33.9	171.1	174.7	172.1	170.6	176.1	-5.2	113.3	S14 D36 T37 V38 E349 P350	S14-R16 PolarHBondContact O-N 2.76Å; S14-R16 WeakPolarHBondContact OG-CB 3.37Å; S14-R16 PolarHBondContact OG-N 3.35Å; R16-D36 WeakPolarHBondContact CG-OD1 3.42Å; R16-D36 IonicContact CZ-OD1 3.84Å; R16-D36 IonicContact CZ-OD2 3.73Å; R16-D36 VanDerWaalsContact NE-CG 3.29Å; R16-D36 IonicContact NE-OD1 3.75Å; R16-D36 PolarHBondContact NE-OD1 3.34Å; R16-D36 IonicContact NE-OD2 3.9Å; R16-D36 PolarHBondContact NE-OD2 3.24Å; R16-D36 VanDerWaalsContact NE-OD2 3.09Å; R16-D36 IonicContact NH2-OD1 2.75Å; R16-D36 IonicContact NH2-OD2 3.62Å; R16-D36 PolarHBondContact NH2-OD2 3.44Å; R16-T37 WeakPolarHBondContact CA-OG1 3.43Å; R16-T37 PolarHBondContact O-N 2.84Å; R16-T37 PolarHBondContact O-OG1 2.81Å; R16-V38 HydrophobicContact CG-CB 4.21Å; R16-V38 HydrophobicContact CG-CG2 3.81Å; R16-E349 IonicContact CZ-OE2 3.87Å; R16-E349 IonicContact NH1-OE2 3.78Å; R16-E349 PolarHBondContact NH1-OE2 3.28Å; R16-E349 IonicContact NH2-OE2 3.04Å; R16-E349 PolarHBondContact NH2-OE2 3.14Å; R16-P350 PolarHBondContact NH1-O 3.36Å
17	Y	96.3	Very high	89.5	Confident	6 Å²	6	59 Å²	59	2%	0.024	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.7	-177.1	-55.9	-78.2	0	0	0	110	V13 S14 P15 F35 D36 V43 I45 N80 I82 I97	V13-Y17 HydrophobicContact CB-CD2 4.47Å; S14-Y17 PolarHBondContact O-N 3.08Å; P15-Y17 PolarHBondContact O-N 3.17Å; Y17-F35 WeakPolarHBondContact CA-O 3.39Å; Y17-D36 HydrophobicContact CD1-CB 4.24Å; Y17-D36 HydrophobicContact CE1-CB 4.08Å; Y17-V43 HydrophobicContact CD1-CG2 4.02Å; Y17-V43 HydrophobicContact CE1-CG2 4.12Å; Y17-I45 HydrophobicContact CD1-CD1 3.91Å; Y17-I45 HydrophobicContact CG-CD1 3.89Å; Y17-N80 VanDerWaalsContact OH-CB 3.3Å; Y17-N80 WeakPolarHBondContact OH-CB 3.41Å; Y17-N80 PolarHBondContact OH-ND2 3.4Å; Y17-I82 HydrophobicContact CD2-CD1 3.86Å; Y17-I82 HydrophobicContact CE2-CD1 3.5Å; Y17-I82 VanDerWaalsContact CE2-CD1 3.5Å; Y17-I82 HydrophobicContact CE2-CG1 4.34Å; Y17-I97 HydrophobicContact CE1-CG1 3.93Å; Y17-I97 HydrophobicContact CE1-CG2 3.94Å
18	T	96.4	Very high	88.2	Confident	46 Å²	46	55.9 Å²	55.9	28%	0.282	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	165.9	-173.8	55.7	0	0	0	0	111.1	L20 A34 F35 T37	T18-L20 PolarHBondContact O-N 3.47Å; T18-A34 WeakPolarHBondContact O-CA 3.36Å; T18-F35 PolarHBondContact N-O 2.73Å; T18-F35 PolarHBondContact O-N 3.49Å; T18-F35 PolarHBondContact OG1-O 2.99Å; T18-T37 HydrophobicContact CG2-CG2 3.94Å
19	D	95.5	Very high	87.7	Confident	126 Å²	126	49.2 Å²	49.2	67%	0.674	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.9	47.3	175.2	-57.1	-30.7	0	0	0	114.7	N21	D19-N21 PolarHBondContact O-N 2.96Å; D19-N21 PolarHBondContact O-ND2 2.65Å
20	L	96.5	Very high	87.8	Confident	19 Å²	19	46.1 Å²	46.1	10%	0.099	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	123.1	-176.2	-74.1	67.2	0	0	0	111.9	I6 F11 V13 T18 V32 D33 A34	I6-L20 HydrophobicContact CD1-CB 3.47Å; I6-L20 VanDerWaalsContact CD1-CB 3.47Å; I6-L20 HydrophobicContact CD1-CD2 4.12Å; I6-L20 HydrophobicContact CD1-CG 4.45Å; F11-L20 HydrophobicContact CB-CD2 3.97Å; F11-L20 HydrophobicContact CD1-CD2 4.04Å; F11-L20 HydrophobicContact CG-CD2 4.14Å; V13-L20 HydrophobicContact CG1-CD2 4.39Å; V13-L20 HydrophobicContact CG2-CD1 4.28Å; V13-L20 HydrophobicContact CG2-CD2 4.02Å; T18-L20 PolarHBondContact O-N 3.47Å; L20-V32 HydrophobicContact CB-CG2 4.46Å; L20-V32 HydrophobicContact CD2-CG2 4.27Å; L20-V32 HydrophobicContact CG-CG2 4.34Å; L20-D33 CarbonylContact C-O 3.57Å; L20-D33 VanDerWaalsContact CA-O 3.23Å; L20-D33 WeakPolarHBondContact CA-O 3.24Å; L20-A34 HydrophobicContact CD1-CB 4.16Å; L20-A34 HydrophobicContact CG-CB 4.06Å
21	N	95.6	Very high	87.9	Confident	88 Å²	88	44.6 Å²	44.6	47%	0.471	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	141.9	175.7	-51.3	-75.7	0	0	0	112.7	D19 I23 V32 D33	D19-N21 PolarHBondContact O-N 2.96Å; D19-N21 PolarHBondContact O-ND2 2.65Å; N21-I23 PolarHBondContact O-N 3.29Å; N21-V32 CarbonylContact O-C 3.59Å; N21-V32 WeakPolarHBondContact O-CA 3.42Å; N21-V32 WeakPolarHBondContact O-CB 3.44Å; N21-D33 VanDerWaalsContact CB-OD1 3.3Å; N21-D33 WeakPolarHBondContact CB-OD1 3.5Å; N21-D33 PolarHBondContact N-O 3.14Å; N21-D33 PolarHBondContact N-OD1 3.48Å; N21-D33 PolarHBondContact ND2-OD1 3.38Å; N21-D33 PolarHBondContact O-N 3.48Å
22	Y	94.6	Very high	88	Confident	76 Å²	76	44.6 Å²	44.6	30%	0.298	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	128.5	176.5	176.4	-91.5	0	0	0	112.5	K7 G24 E25 M30	K7-Y22 HydrophobicContact CD-CD1 4.24Å; K7-Y22 HydrophobicContact CD-CD2 3.66Å; K7-Y22 HydrophobicContact CD-CE1 4.29Å; K7-Y22 HydrophobicContact CD-CE2 3.69Å; K7-Y22 HydrophobicContact CD-CG 3.92Å; K7-Y22 VanDerWaalsContact CE-CD1 3.49Å; K7-Y22 HydrophobicContact CG-CD2 4.21Å; K7-Y22 HydrophobicContact CG-CG 4.39Å; K7-Y22 PolarHBondContact NZ-OH 2.84Å; Y22-G24 WeakPolarHBondContact CE2-O 3.28Å; Y22-G24 VanDerWaalsContact CZ-CA 3.49Å; Y22-E25 HydrophobicContact CE2-CG 4Å; Y22-E25 PolarHBondContact OH-N 2.91Å; Y22-E25 PolarHBondContact OH-OE1 3.18Å; Y22-M30 HydrophobicContact CD2-CE 4.26Å; Y22-M30 HydrophobicContact CD2-CG 3.87Å; Y22-M30 HydrophobicContact CD2-SD 3.85Å; Y22-M30 HydrophobicContact CE2-CE 4.22Å; Y22-M30 HydrophobicContact CE2-CG 3.95Å; Y22-M30 HydrophobicContact CE2-SD 4.26Å
23	I	91	Very high	88.2	Confident	67 Å²	67	44.5 Å²	44.5	34%	0.344	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-30.2	172.7	67	171.6	0	0	0	113.4	N21 V31 D33 A44 L100	N21-I23 PolarHBondContact O-N 3.29Å; I23-V31 HydrophobicContact CD1-CB 4.08Å; I23-V31 HydrophobicContact CD1-CG1 3.52Å; I23-V31 HydrophobicContact CG1-CB 3.79Å; I23-V31 HydrophobicContact CG1-CG1 3.78Å; I23-V31 VanDerWaalsContact CG1-O 3.26Å; I23-V31 WeakPolarHBondContact CG1-O 3.4Å; I23-V31 PolarHBondContact N-O 3.28Å; I23-V31 VanDerWaalsContact N-O 3.07Å; I23-D33 HydrophobicContact CG2-CB 3.9Å; I23-A44 HydrophobicContact CD1-CB 4.4Å; I23-L100 HydrophobicContact CD1-CD1 4.2Å
24	G	86.7	Confident	88.4	Confident	16 Å²	16	44.6 Å²	44.6	17%	0.165	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.3	173.2	-179.5	0	0	0	0	0	115.2	Y22 V31	Y22-G24 WeakPolarHBondContact CE2-O 3.28Å; Y22-G24 VanDerWaalsContact CZ-CA 3.49Å; G24-V31 PolarHBondContact N-O 3.45Å; G24-V31 PolarHBondContact O-N 3.01Å
25	E	81.4	Confident	88.8	Confident	127 Å²	127	47.5 Å²	47.5	59%	0.593	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.5	169.5	-79.3	165.1	-149.4	0	0	108.6	Y22	Y22-E25 HydrophobicContact CE2-CG 4Å; Y22-E25 PolarHBondContact OH-N 2.91Å; Y22-E25 PolarHBondContact OH-OE1 3.18Å
26	G	64.6	Low	89	Confident	43 Å²	43	43.4 Å²	43.4	44%	0.443	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	178.8	168.1	0	0	0	0	0	110.8	Y28 G29	G26-Y28 PolarHBondContact O-N 2.95Å; G26-Y28 VanDerWaalsContact O-N 3.08Å; G26-G29 PolarHBondContact N-O 3.48Å
27	A	60.8	Low	89	Confident	83 Å²	83	46.6 Å²	46.6	69%	0.686	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-20	178.7	0	0	0	0	0	114.3
28	Y	63.8	Low	89	Confident	53 Å²	53	50.5 Å²	50.5	21%	0.208	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129	11.4	-171.9	-42.8	-71.2	0	0	0	114.3	G26 F56 R59	G26-Y28 PolarHBondContact O-N 2.95Å; G26-Y28 VanDerWaalsContact O-N 3.08Å; Y28-F56 HydrophobicContact CD1-CD1 4.27Å; Y28-F56 HydrophobicContact CD1-CE1 4.4Å; Y28-F56 HydrophobicContact CE1-CD1 4.43Å; Y28-F56 HydrophobicContact CE1-CE1 4.42Å; Y28-R59 PolarHBondContact OH-NH1 2.94Å
29	G	79.1	Confident	88.9	Confident	23 Å²	23	53.3 Å²	53.3	24%	0.237	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.9	-169.1	179	0	0	0	0	0	115.6	G26 K47	G26-G29 PolarHBondContact N-O 3.48Å; G29-K47 WeakPolarHBondContact CA-O 3.33Å
30	M	91.3	Very high	88.9	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	138.4	-175.8	-173.6	176.9	-69.1	0	0	110.1	I6 K7 Q9 F11 Y22 V32 K47	I6-M30 HydrophobicContact CB-SD 4.39Å; I6-M30 HydrophobicContact CG2-SD 4.07Å; K7-M30 HydrophobicContact CB-CE 3.79Å; Q9-M30 HydrophobicContact CB-CE 4.08Å; Q9-M30 HydrophobicContact CB-SD 4.37Å; Q9-M30 HydrophobicContact CG-CE 3.71Å; F11-M30 HydrophobicContact CE2-CG 4.34Å; F11-M30 HydrophobicContact CE2-SD 3.58Å; F11-M30 VanDerWaalsContact CE2-SD 3.58Å; F11-M30 HydrophobicContact CZ-CB 4.03Å; F11-M30 HydrophobicContact CZ-CG 3.92Å; F11-M30 HydrophobicContact CZ-SD 3.78Å; Y22-M30 HydrophobicContact CD2-CE 4.26Å; Y22-M30 HydrophobicContact CD2-CG 3.87Å; Y22-M30 HydrophobicContact CD2-SD 3.85Å; Y22-M30 HydrophobicContact CE2-CE 4.22Å; Y22-M30 HydrophobicContact CE2-CG 3.95Å; Y22-M30 HydrophobicContact CE2-SD 4.26Å; M30-V32 HydrophobicContact CG-CG1 4.37Å; M30-V32 HydrophobicContact SD-CG1 4.46Å; M30-K47 PolarHBondContact N-O 3.28Å; M30-K47 PolarHBondContact O-N 3.05Å
31	V	93.9	Very high	88.9	Confident	30 Å²	30	51.8 Å²	51.8	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.6	173.1	-161.6	0	0	0	0	108.7	I23 G24 A44 I45 K46	I23-V31 HydrophobicContact CD1-CB 4.08Å; I23-V31 HydrophobicContact CD1-CG1 3.52Å; I23-V31 HydrophobicContact CG1-CB 3.79Å; I23-V31 HydrophobicContact CG1-CG1 3.78Å; I23-V31 VanDerWaalsContact CG1-O 3.26Å; I23-V31 WeakPolarHBondContact CG1-O 3.4Å; I23-V31 PolarHBondContact N-O 3.28Å; I23-V31 VanDerWaalsContact N-O 3.07Å; G24-V31 PolarHBondContact N-O 3.45Å; G24-V31 PolarHBondContact O-N 3.01Å; V31-A44 HydrophobicContact CG1-CB 4.29Å; V31-I45 WeakPolarHBondContact CA-O 3.22Å; V31-K46 HydrophobicContact CG2-CB 4.37Å; V31-K46 HydrophobicContact CG2-CG 4.25Å
32	V	96.1	Very high	89	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	153.1	174.8	-59	0	0	0	0	109.5	I6 F11 L20 N21 M30 A44 I45	I6-V32 HydrophobicContact CD1-CB 4.45Å; I6-V32 HydrophobicContact CD1-CG1 3.78Å; I6-V32 HydrophobicContact CG2-CG1 4.28Å; F11-V32 HydrophobicContact CD1-CG2 4.12Å; F11-V32 HydrophobicContact CE1-CB 4.37Å; F11-V32 HydrophobicContact CE1-CG1 3.75Å; F11-V32 HydrophobicContact CE1-CG2 3.63Å; F11-V32 HydrophobicContact CE2-CG1 4.09Å; F11-V32 HydrophobicContact CZ-CG1 3.47Å; F11-V32 VanDerWaalsContact CZ-CG1 3.47Å; F11-V32 HydrophobicContact CZ-CG2 4.26Å; L20-V32 HydrophobicContact CB-CG2 4.46Å; L20-V32 HydrophobicContact CD2-CG2 4.27Å; L20-V32 HydrophobicContact CG-CG2 4.34Å; N21-V32 CarbonylContact O-C 3.59Å; N21-V32 WeakPolarHBondContact O-CA 3.42Å; N21-V32 WeakPolarHBondContact O-CB 3.44Å; M30-V32 HydrophobicContact CG-CG1 4.37Å; M30-V32 HydrophobicContact SD-CG1 4.46Å; V32-A44 CarbonylContact O-C 3.6Å; V32-A44 WeakPolarHBondContact O-CA 3.28Å; V32-I45 HydrophobicContact CG2-CB 3.77Å; V32-I45 HydrophobicContact CG2-CG1 4.42Å; V32-I45 PolarHBondContact N-O 3.32Å; V32-I45 PolarHBondContact O-N 3.11Å
33	D	96.8	Very high	89.2	Confident	28 Å²	28	50.1 Å²	50.1	15%	0.15	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	157.2	158.3	70.7	39.7	0	0	0	109.6	L20 N21 I23 V43 L100	L20-D33 CarbonylContact C-O 3.57Å; L20-D33 VanDerWaalsContact CA-O 3.23Å; L20-D33 WeakPolarHBondContact CA-O 3.24Å; N21-D33 VanDerWaalsContact CB-OD1 3.3Å; N21-D33 WeakPolarHBondContact CB-OD1 3.5Å; N21-D33 PolarHBondContact N-O 3.14Å; N21-D33 PolarHBondContact N-OD1 3.48Å; N21-D33 PolarHBondContact ND2-OD1 3.38Å; N21-D33 PolarHBondContact O-N 3.48Å; I23-D33 HydrophobicContact CG2-CB 3.9Å; D33-V43 CarbonylContact C-O 3.38Å; D33-V43 WeakPolarHBondContact CA-O 3.29Å; D33-L100 HydrophobicContact CB-CD1 3.89Å; D33-L100 HydrophobicContact CB-CD2 4.08Å
34	A	97.6	Very high	89.4	Confident	2 Å²	2	47.3 Å²	47.3	2%	0.017	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	161.9	172	0	0	0	0	0	109.7	T18 L20 K42 V43 I45	T18-A34 WeakPolarHBondContact O-CA 3.36Å; L20-A34 HydrophobicContact CD1-CB 4.16Å; L20-A34 HydrophobicContact CG-CB 4.06Å; A34-K42 CarbonylContact O-C 3.53Å; A34-K42 WeakPolarHBondContact O-CA 3.08Å; A34-V43 HydrophobicContact CB-CG2 4.32Å; A34-V43 PolarHBondContact N-O 2.88Å; A34-V43 PolarHBondContact O-N 2.79Å; A34-I45 HydrophobicContact CB-CD1 3.55Å; A34-I45 HydrophobicContact CB-CG1 4.11Å
35	F	97.9	Very high	89.9	Confident	73 Å²	73	46.6 Å²	46.6	32%	0.32	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	120.7	168.1	-174.1	-103.6	0	0	0	110.5	Y17 T18 T37 K42	Y17-F35 WeakPolarHBondContact CA-O 3.39Å; T18-F35 PolarHBondContact N-O 2.73Å; T18-F35 PolarHBondContact O-N 3.49Å; T18-F35 PolarHBondContact OG1-O 2.99Å; F35-T37 HydrophobicContact CD1-CG2 3.9Å; F35-T37 HydrophobicContact CE1-CG2 4.17Å; F35-T37 PolarHBondContact O-N 2.92Å; F35-K42 HydrophobicContact CD2-CG 4.33Å
36	D	97.2	Very high	90.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	103.7	172.1	-176	-22.8	0	0	0	109.5	R16 Y17 V38 R39 G40 E41 V43	R16-D36 WeakPolarHBondContact CG-OD1 3.42Å; R16-D36 IonicContact CZ-OD1 3.84Å; R16-D36 IonicContact CZ-OD2 3.73Å; R16-D36 VanDerWaalsContact NE-CG 3.29Å; R16-D36 IonicContact NE-OD1 3.75Å; R16-D36 PolarHBondContact NE-OD1 3.34Å; R16-D36 IonicContact NE-OD2 3.9Å; R16-D36 PolarHBondContact NE-OD2 3.24Å; R16-D36 VanDerWaalsContact NE-OD2 3.09Å; R16-D36 IonicContact NH2-OD1 2.75Å; R16-D36 IonicContact NH2-OD2 3.62Å; R16-D36 PolarHBondContact NH2-OD2 3.44Å; Y17-D36 HydrophobicContact CD1-CB 4.24Å; Y17-D36 HydrophobicContact CE1-CB 4.08Å; D36-V38 VanDerWaalsContact C-N 3.26Å; D36-V38 PolarHBondContact O-N 3.12Å; D36-V38 PolarHBondContact OD1-N 2.92Å; D36-R39 HydrophobicContact CB-CB 4.3Å; D36-R39 PolarHBondContact O-N 2.85Å; D36-R39 PolarHBondContact OD1-N 3.1Å; D36-R39 VanDerWaalsContact OD1-N 3.11Å; D36-R39 WeakPolarHBondContact OD2-CD 3.39Å; D36-G40 WeakPolarHBondContact O-CA 3.48Å; D36-G40 PolarHBondContact O-N 3.13Å; D36-E41 PolarHBondContact N-O 2.88Å; D36-E41 PolarHBondContact O-N 3.32Å; D36-V43 HydrophobicContact CB-CG1 4.02Å; D36-V43 HydrophobicContact CB-CG2 4.22Å
37	T	96.6	Very high	91.9	Very high	71 Å²	71	40.3 Å²	40.3	44%	0.436	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.4	-177.6	55.5	0	0	0	0	114.7	R16 T18 F35	R16-T37 WeakPolarHBondContact CA-OG1 3.43Å; R16-T37 PolarHBondContact O-N 2.84Å; R16-T37 PolarHBondContact O-OG1 2.81Å; T18-T37 HydrophobicContact CG2-CG2 3.94Å; F35-T37 HydrophobicContact CD1-CG2 3.9Å; F35-T37 HydrophobicContact CE1-CG2 4.17Å; F35-T37 PolarHBondContact O-N 2.92Å
38	V	94.8	Very high	93.4	Very high	89 Å²	89	36.5 Å²	36.5	54%	0.539	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-41.9	178.4	170.9	0	0	0	0	110.3	R16 D36	R16-V38 HydrophobicContact CG-CB 4.21Å; R16-V38 HydrophobicContact CG-CG2 3.81Å; D36-V38 VanDerWaalsContact C-N 3.26Å; D36-V38 PolarHBondContact O-N 3.12Å; D36-V38 PolarHBondContact OD1-N 2.92Å
39	R	94.2	Very high	94.7	Very high	104 Å²	104	36.4 Å²	36.4	39%	0.392	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-15.9	178.7	-70.3	176	163.2	-111	3.6	113.4	D36 E41 E349	D36-R39 HydrophobicContact CB-CB 4.3Å; D36-R39 PolarHBondContact O-N 2.85Å; D36-R39 PolarHBondContact OD1-N 3.1Å; D36-R39 VanDerWaalsContact OD1-N 3.11Å; D36-R39 WeakPolarHBondContact OD2-CD 3.39Å; R39-E41 VanDerWaalsContact C-N 3.34Å; R39-E41 HydrophobicContact CB-CG 3.81Å; R39-E41 IonicContact NH1-OE1 2.82Å; R39-E349 IonicContact CZ-OE1 2.82Å; R39-E349 IonicContact CZ-OE2 3.4Å; R39-E349 IonicContact NE-OE1 2.85Å; R39-E349 IonicContact NE-OE2 3.33Å; R39-E349 PolarHBondContact NE-OE2 2.86Å; R39-E349 IonicContact NH2-OE1 2.94Å; R39-E349 PolarHBondContact NH2-OE1 3.16Å; R39-E349 IonicContact NH2-OE2 3.08Å; R39-E349 PolarHBondContact NH2-OE2 3.02Å
40	G	96.4	Very high	95.2	Very high	51 Å²	51	35.5 Å²	35.5	53%	0.526	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	29.3	-179.9	0	0	0	0	0	113.5	D36	D36-G40 WeakPolarHBondContact O-CA 3.48Å; D36-G40 PolarHBondContact O-N 3.13Å
41	E	96.7	Very high	95.2	Very high	62 Å²	62	36.4 Å²	36.4	29%	0.29	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	159.8	-173.7	65.7	178.4	170.9	0	0	112.6	D36 R39 V43 K79	D36-E41 PolarHBondContact N-O 2.88Å; D36-E41 PolarHBondContact O-N 3.32Å; R39-E41 VanDerWaalsContact C-N 3.34Å; R39-E41 HydrophobicContact CB-CG 3.81Å; R39-E41 IonicContact NH1-OE1 2.82Å; E41-V43 HydrophobicContact CG-CG1 4.16Å; E41-K79 WeakPolarHBondContact OE1-CD 3.44Å; E41-K79 IonicContact OE1-NZ 3.34Å; E41-K79 PolarHBondContact OE1-NZ 3.4Å; E41-K79 IonicContact OE2-NZ 3.45Å; E41-K79 PolarHBondContact OE2-NZ 3.03Å
42	K	97.8	Very high	94.9	Very high	129 Å²	129	42.7 Å²	42.7	56%	0.561	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79	142.4	168.9	-70.7	-169	174.8	-169.5	0	110.8	A34 F35 L100	A34-K42 CarbonylContact O-C 3.53Å; A34-K42 WeakPolarHBondContact O-CA 3.08Å; F35-K42 HydrophobicContact CD2-CG 4.33Å; K42-L100 HydrophobicContact CB-CD2 3.73Å; K42-L100 HydrophobicContact CD-CD2 4.14Å
43	V	97.7	Very high	94.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.4	-178.9	-63.7	0	0	0	0	110.8	Y17 D33 A34 D36 E41 I45 K79 I97	Y17-V43 HydrophobicContact CD1-CG2 4.02Å; Y17-V43 HydrophobicContact CE1-CG2 4.12Å; D33-V43 CarbonylContact C-O 3.38Å; D33-V43 WeakPolarHBondContact CA-O 3.29Å; A34-V43 HydrophobicContact CB-CG2 4.32Å; A34-V43 PolarHBondContact N-O 2.88Å; A34-V43 PolarHBondContact O-N 2.79Å; D36-V43 HydrophobicContact CB-CG1 4.02Å; D36-V43 HydrophobicContact CB-CG2 4.22Å; E41-V43 HydrophobicContact CG-CG1 4.16Å; V43-I45 HydrophobicContact CG2-CG1 4.27Å; V43-K79 HydrophobicContact CG1-CD 4.08Å; V43-I97 HydrophobicContact CB-CG2 3.75Å; V43-I97 HydrophobicContact CG1-CG2 4.05Å; V43-I97 HydrophobicContact CG2-CG2 3.79Å
44	A	96.7	Very high	94.1	Very high	9 Å²	9	50.1 Å²	50.1	7%	0.074	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	135.7	166	0	0	0	0	0	109.4	I23 V31 V32 I97 Q98 L100	I23-A44 HydrophobicContact CD1-CB 4.4Å; V31-A44 HydrophobicContact CG1-CB 4.29Å; V32-A44 CarbonylContact O-C 3.6Å; V32-A44 WeakPolarHBondContact O-CA 3.28Å; A44-I97 CarbonylContact O-C 3.55Å; A44-I97 WeakPolarHBondContact O-CA 3.18Å; A44-Q98 PolarHBondContact N-O 2.88Å; A44-Q98 PolarHBondContact O-N 3.48Å; A44-L100 HydrophobicContact CB-CD1 4Å
45	I	95.8	Very high	93.6	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	108.8	175.3	-51.4	-175.9	0	0	0	108.4	Y17 V31 V32 A34 V43 Y95 I97	Y17-I45 HydrophobicContact CD1-CD1 3.91Å; Y17-I45 HydrophobicContact CG-CD1 3.89Å; V31-I45 WeakPolarHBondContact CA-O 3.22Å; V32-I45 HydrophobicContact CG2-CB 3.77Å; V32-I45 HydrophobicContact CG2-CG1 4.42Å; V32-I45 PolarHBondContact N-O 3.32Å; V32-I45 PolarHBondContact O-N 3.11Å; A34-I45 HydrophobicContact CB-CD1 3.55Å; A34-I45 HydrophobicContact CB-CG1 4.11Å; V43-I45 HydrophobicContact CG2-CG1 4.27Å; I45-Y95 HydrophobicContact CG2-CD1 3.75Å; I45-Y95 HydrophobicContact CG2-CG 4.29Å; I45-I97 HydrophobicContact CG1-CG1 4.13Å; I45-I97 HydrophobicContact CG2-CG1 4.43Å
46	K	94.5	Very high	93.1	Very high	23 Å²	23	53.2 Å²	53.2	10%	0.1	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	109.1	173	-178	-173.9	-175.2	-173.7	0	108.9	V31 T48 E63 Y95 I96	V31-K46 HydrophobicContact CG2-CB 4.37Å; V31-K46 HydrophobicContact CG2-CG 4.25Å; K46-T48 HydrophobicContact CD-CG2 4.44Å; K46-T48 HydrophobicContact CG-CG2 4.17Å; K46-E63 IonicContact NZ-OE1 2.76Å; K46-E63 PolarHBondContact NZ-OE1 2.85Å; K46-E63 IonicContact NZ-OE2 2.8Å; K46-E63 PolarHBondContact NZ-OE2 2.88Å; K46-Y95 WeakPolarHBondContact O-CA 3.31Å; K46-I96 HydrophobicContact CB-CB 4.39Å; K46-I96 PolarHBondContact N-O 3.47Å; K46-I96 PolarHBondContact O-N 3.12Å
47	K	94	Very high	92.8	Very high	16 Å²	16	53.2 Å²	53.2	7%	0.07	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.9	172.6	-180	-175.3	-179.5	178.7	0	109.8	V10 F11 G29 M30 D93 Y95	V10-K47 PolarHBondContact O-NZ 3.37Å; F11-K47 HydrophobicContact CD1-CB 4.47Å; F11-K47 HydrophobicContact CD1-CD 4.47Å; F11-K47 HydrophobicContact CE1-CB 3.73Å; F11-K47 HydrophobicContact CE1-CD 4.23Å; F11-K47 HydrophobicContact CE2-CD 4.37Å; F11-K47 HydrophobicContact CZ-CB 4.02Å; F11-K47 HydrophobicContact CZ-CD 4.16Å; G29-K47 WeakPolarHBondContact CA-O 3.33Å; M30-K47 PolarHBondContact N-O 3.28Å; M30-K47 PolarHBondContact O-N 3.05Å; K47-D93 WeakPolarHBondContact CE-OD1 3.44Å; K47-D93 WeakPolarHBondContact CE-OD2 3.35Å; K47-D93 IonicContact NZ-OD1 2.77Å; K47-D93 IonicContact NZ-OD2 3.41Å; K47-D93 PolarHBondContact NZ-OD2 3.43Å; K47-Y95 HydrophobicContact CB-CD1 3.88Å; K47-Y95 HydrophobicContact CB-CE1 3.78Å; K47-Y95 HydrophobicContact CD-CE1 3.77Å; K47-Y95 WeakPolarHBondContact CE-OH 3.06Å; K47-Y95 HydrophobicContact CG-CD1 4.06Å; K47-Y95 HydrophobicContact CG-CE1 3.57Å
48	T	91.7	Very high	92.5	Very high	3 Å²	3	50 Å²	50	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.8	170.6	64.6	0	0	0	0	110.8	K46 P50 D93 V94	K46-T48 HydrophobicContact CD-CG2 4.44Å; K46-T48 HydrophobicContact CG-CG2 4.17Å; T48-P50 VanDerWaalsContact C-CD 3.41Å; T48-P50 VanDerWaalsContact O-CD 3.29Å; T48-P50 WeakPolarHBondContact O-CD 3.34Å; T48-D93 CarbonylContact O-C 3.56Å; T48-D93 VanDerWaalsContact O-CA 3.29Å; T48-D93 WeakPolarHBondContact O-CA 3.47Å; T48-V94 PolarHBondContact N-O 3.43Å; T48-V94 PolarHBondContact O-N 3.47Å; T48-V94 PolarHBondContact OG1-O 3.23Å
49	S	91.7	Very high	92.3	Very high	51 Å²	51	46.3 Å²	46.3	36%	0.357	23%	0.233	S	C	.	.			trans	-117.2	68.7	174.7	-52	0	0	0	0	109.4	F51 D93	S49-F51 VanDerWaalsContact C-N 3.32Å; S49-F51 PolarHBondContact O-N 3.36Å; S49-D93 WeakPolarHBondContact CB-OD1 3.38Å; S49-D93 PolarHBondContact OG-OD1 3.21Å
50	P	90.4	Very high	92.1	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.019	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-84.6	-5.2	-158.7	37.3	-41	0	0	0	114	T48 F56 C57 T60 V94	T48-P50 VanDerWaalsContact C-CD 3.41Å; T48-P50 VanDerWaalsContact O-CD 3.29Å; T48-P50 WeakPolarHBondContact O-CD 3.34Å; P50-F56 HydrophobicContact CB-CB 4.49Å; P50-F56 CarbonylContact O-C 3.59Å; P50-C57 WeakPolarHBondContact O-CA 3.23Å; P50-C57 WeakPolarHBondContact O-CB 3.3Å; P50-C57 PolarHBondContact O-N 3.31Å; P50-T60 HydrophobicContact CB-CG2 4.28Å; P50-T60 WeakPolarHBondContact CB-OG1 3.24Å; P50-T60 HydrophobicContact CG-CG2 4.12Å; P50-V94 HydrophobicContact CG-CG2 3.98Å
51	F	91.5	Very high	92	Very high	20 Å²	20	39.7 Å²	39.7	9%	0.088	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-87	-9.4	-165.4	-56.9	-57.2	0	0	0	115.1	S49 L83 M91 K92 V94 K337 I340	S49-F51 VanDerWaalsContact C-N 3.32Å; S49-F51 PolarHBondContact O-N 3.36Å; F51-L83 HydrophobicContact CE2-CD1 4.18Å; F51-L83 HydrophobicContact CZ-CD1 3.99Å; F51-M91 HydrophobicContact CD2-CB 4.02Å; F51-M91 VanDerWaalsContact CD2-O 3.27Å; F51-M91 WeakPolarHBondContact CD2-O 3.23Å; F51-M91 HydrophobicContact CE1-CE 3.57Å; F51-M91 HydrophobicContact CE2-CB 3.78Å; F51-M91 HydrophobicContact CE2-CE 4.14Å; F51-M91 HydrophobicContact CZ-CB 4.14Å; F51-M91 HydrophobicContact CZ-CE 3.33Å; F51-K92 VanDerWaalsContact CD2-O 3.26Å; F51-K92 WeakPolarHBondContact CD2-O 3.33Å; F51-V94 HydrophobicContact CE2-CG2 3.9Å; F51-V94 HydrophobicContact CZ-CG2 3.53Å; F51-K337 VanDerWaalsContact CB-CE 3.46Å; F51-K337 HydrophobicContact CD1-CD 4.18Å; F51-K337 HydrophobicContact CD1-CG 3.5Å; F51-K337 HydrophobicContact CE1-CG 3.81Å; F51-K337 VanDerWaalsContact CG-CE 3.49Å; F51-K337 HydrophobicContact CG-CG 4.3Å; F51-I340 HydrophobicContact CE1-CD1 3.85Å
52	E	87.2	Confident	91.7	Very high	163 Å²	163	37.4 Å²	37.4	76%	0.762	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-74	-29	179.3	-63.2	-173.3	168	0	0	112.6
53	H	87.3	Confident	91.5	Very high	102 Å²	102	31.5 Å²	31.5	47%	0.472	16%	0.156	S	C	.	.	S	Bend	trans	-131.1	133.1	-177.9	-63.1	-70	0	0	0	111.4	T55 F56 C57	H53-T55 VanDerWaalsContact C-N 3.27Å; H53-T55 PolarHBondContact O-N 2.98Å; H53-F56 HydrophobicContact CB-CB 4.41Å; H53-F56 HydrophobicContact CB-CD2 3.73Å; H53-F56 HydrophobicContact CB-CE2 4.17Å; H53-F56 HydrophobicContact CB-CG 4.08Å; H53-F56 AromaticContact CD2-CD2 3.64Å; H53-F56 AromaticContact CD2-CE2 3.44Å; H53-F56 VanDerWaalsContact CD2-CE2 3.44Å; H53-F56 WeakPolarHBondContact CD2-CE2 3.38Å; H53-F56 PolarHBondContact O-N 2.89Å; H53-F56 VanDerWaalsContact O-N 3.08Å; H53-C57 PolarHBondContact O-N 3.41Å
54	Q	89	Confident	91.3	Very high	81 Å²	81	31.5 Å²	31.5	38%	0.379	16%	0.156	S	C	.	.	H	α-helix	trans	-52	-45	178.2	-173.3	-171.1	11.9	0	0	112.4	F56 C57 Q58 N330 L331 V333 L336	Q54-F56 VanDerWaalsContact C-N 3.34Å; Q54-F56 PolarHBondContact O-N 2.97Å; Q54-C57 PolarHBondContact O-N 2.99Å; Q54-Q58 WeakPolarHBondContact O-CB 3.48Å; Q54-Q58 PolarHBondContact O-N 3.44Å; Q54-N330 PolarHBondContact NE2-O 2.8Å; Q54-L331 PolarHBondContact NE2-O 3.09Å; Q54-V333 HydrophobicContact CB-CG2 3.89Å; Q54-V333 HydrophobicContact CG-CG2 4.36Å; Q54-L336 HydrophobicContact CG-CD1 4.43Å
55	T	86	Confident	91.1	Very high	62 Å²	62	33.6 Å²	33.6	38%	0.38	16%	0.164	S	C	.	.	H	α-helix	trans	-60.5	-40.9	179.9	-52.6	0	0	0	0	112.4	H53 R59	H53-T55 VanDerWaalsContact C-N 3.27Å; H53-T55 PolarHBondContact O-N 2.98Å; T55-R59 VanDerWaalsContact O-CG 3.24Å; T55-R59 WeakPolarHBondContact O-CG 3.3Å; T55-R59 PolarHBondContact O-N 2.65Å
56	F	88.1	Confident	91	Very high	78 Å²	78	34.1 Å²	34.1	34%	0.342	17%	0.166	S	C	.	.	H	α-helix	trans	-72.7	-38.4	179.2	-60.1	-20.5	0	0	0	111.6	Y28 P50 H53 Q54 R59 T60	Y28-F56 HydrophobicContact CD1-CD1 4.27Å; Y28-F56 HydrophobicContact CD1-CE1 4.4Å; Y28-F56 HydrophobicContact CE1-CD1 4.43Å; Y28-F56 HydrophobicContact CE1-CE1 4.42Å; P50-F56 HydrophobicContact CB-CB 4.49Å; P50-F56 CarbonylContact O-C 3.59Å; H53-F56 HydrophobicContact CB-CB 4.41Å; H53-F56 HydrophobicContact CB-CD2 3.73Å; H53-F56 HydrophobicContact CB-CE2 4.17Å; H53-F56 HydrophobicContact CB-CG 4.08Å; H53-F56 AromaticContact CD2-CD2 3.64Å; H53-F56 AromaticContact CD2-CE2 3.44Å; H53-F56 VanDerWaalsContact CD2-CE2 3.44Å; H53-F56 WeakPolarHBondContact CD2-CE2 3.38Å; H53-F56 PolarHBondContact O-N 2.89Å; H53-F56 VanDerWaalsContact O-N 3.08Å; Q54-F56 VanDerWaalsContact C-N 3.34Å; Q54-F56 PolarHBondContact O-N 2.97Å; F56-R59 PolarHBondContact O-N 2.73Å; F56-T60 PolarHBondContact O-N 3.38Å; F56-T60 PolarHBondContact O-OG1 3.43Å
57	C	91.1	Very high	91	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-46.3	174.1	-160.8	0	0	0	0	111.2	P50 H53 Q54 T60 Y61 L336	P50-C57 WeakPolarHBondContact O-CA 3.23Å; P50-C57 WeakPolarHBondContact O-CB 3.3Å; P50-C57 PolarHBondContact O-N 3.31Å; H53-C57 PolarHBondContact O-N 3.41Å; Q54-C57 PolarHBondContact O-N 2.99Å; C57-T60 PolarHBondContact O-N 3.11Å; C57-Y61 PolarHBondContact O-N 3.18Å; C57-L336 HydrophobicContact CB-CB 4.4Å; C57-L336 HydrophobicContact CB-CD1 3.99Å; C57-L336 WeakPolarHBondContact SG-CB 3.23Å
58	Q	90.1	Very high	91	Very high	5 Å²	5	34.7 Å²	34.7	2%	0.023	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-45.5	176.8	-174.1	73.8	39.9	0	0	111.6	Q54 T60 Y61 R62 L328 L336	Q54-Q58 WeakPolarHBondContact O-CB 3.48Å; Q54-Q58 PolarHBondContact O-N 3.44Å; Q58-T60 VanDerWaalsContact C-N 3.34Å; Q58-T60 PolarHBondContact O-N 3.27Å; Q58-Y61 PolarHBondContact O-N 2.92Å; Q58-R62 VanDerWaalsContact CG-NH2 3.29Å; Q58-R62 VanDerWaalsContact O-CB 3.29Å; Q58-R62 WeakPolarHBondContact O-CB 3.31Å; Q58-R62 PolarHBondContact O-N 3.08Å; Q58-L328 PolarHBondContact NE2-O 3.32Å; Q58-L328 PolarHBondContact OE1-O 2.97Å; Q58-L336 HydrophobicContact CB-CD1 4.14Å
59	R	89.5	Confident	91	Very high	10 Å²	10	36.8 Å²	36.8	4%	0.038	19%	0.193	C	C	.	.	H	α-helix	trans	-60.5	-44.1	177.9	-73.7	176.9	-170.9	-141	-8.8	111.9	Y28 T55 F56 R62 E63 G162 L163 E179	Y28-R59 PolarHBondContact OH-NH1 2.94Å; T55-R59 VanDerWaalsContact O-CG 3.24Å; T55-R59 WeakPolarHBondContact O-CG 3.3Å; T55-R59 PolarHBondContact O-N 2.65Å; F56-R59 PolarHBondContact O-N 2.73Å; R59-R62 PolarHBondContact O-N 3.19Å; R59-E63 WeakPolarHBondContact O-CB 3.41Å; R59-E63 PolarHBondContact O-N 3.2Å; R59-G162 WeakPolarHBondContact CG-O 3.43Å; R59-L163 VanDerWaalsContact CZ-CD2 3.4Å; R59-L163 VanDerWaalsContact NH2-CD2 3.33Å; R59-E179 IonicContact CZ-OE1 2.71Å; R59-E179 IonicContact CZ-OE2 3.09Å; R59-E179 IonicContact NH1-OE1 2.87Å; R59-E179 PolarHBondContact NH1-OE1 2.7Å; R59-E179 IonicContact NH1-OE2 3.73Å; R59-E179 PolarHBondContact NH1-OE2 2.97Å; R59-E179 IonicContact NH2-OE1 3.36Å; R59-E179 PolarHBondContact NH2-OE1 3.45Å; R59-E179 IonicContact NH2-OE2 3.39Å; R59-E179 PolarHBondContact NH2-OE2 3.48Å
60	T	91.8	Very high	91.2	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.037	18%	0.18	C	C	.	.	H	α-helix	trans	-66.4	-46.2	180	-55.8	0	0	0	0	111.1	P50 F56 C57 Q58 R62 E63 L64	P50-T60 HydrophobicContact CB-CG2 4.28Å; P50-T60 WeakPolarHBondContact CB-OG1 3.24Å; P50-T60 HydrophobicContact CG-CG2 4.12Å; F56-T60 PolarHBondContact O-N 3.38Å; F56-T60 PolarHBondContact O-OG1 3.43Å; C57-T60 PolarHBondContact O-N 3.11Å; Q58-T60 VanDerWaalsContact C-N 3.34Å; Q58-T60 PolarHBondContact O-N 3.27Å; T60-R62 VanDerWaalsContact C-N 3.32Å; T60-R62 PolarHBondContact O-N 2.98Å; T60-E63 PolarHBondContact O-N 2.98Å; T60-L64 HydrophobicContact CG2-CD1 4.43Å; T60-L64 WeakPolarHBondContact O-CG 3.41Å; T60-L64 PolarHBondContact O-N 3.25Å
61	Y	92.7	Very high	91.4	Very high	10 Å²	10	40 Å²	40	4%	0.039	21%	0.213	C	C	.	.	H	α-helix	trans	-57.8	-46.3	175.1	175.9	-109.8	0	0	0	111.5	C57 Q58 L64 K65 L336 M339 I340 E343	C57-Y61 PolarHBondContact O-N 3.18Å; Q58-Y61 PolarHBondContact O-N 2.92Å; Y61-L64 PolarHBondContact O-N 2.89Å; Y61-K65 WeakPolarHBondContact O-CB 3.44Å; Y61-K65 PolarHBondContact O-N 3.1Å; Y61-L336 HydrophobicContact CD1-CD2 4.18Å; Y61-L336 HydrophobicContact CG-CD2 4.34Å; Y61-M339 HydrophobicContact CD2-CB 3.95Å; Y61-M339 HydrophobicContact CE1-CE 3.57Å; Y61-M339 HydrophobicContact CE1-SD 4.47Å; Y61-M339 HydrophobicContact CE2-CB 3.61Å; Y61-M339 HydrophobicContact CE2-CE 4.01Å; Y61-M339 WeakPolarHBondContact OH-CE 3.26Å; Y61-I340 HydrophobicContact CD2-CG1 3.88Å; Y61-I340 HydrophobicContact CG-CG1 4.34Å; Y61-E343 HydrophobicContact CE2-CG 3.78Å
62	R	91.3	Very high	91.7	Very high	14 Å²	14	40.1 Å²	40.1	5%	0.053	21%	0.213	C	C	.	.	H	α-helix	trans	-61.4	-46	179	-170.9	-179.9	-58.2	105.8	-0.8	112.4	Q58 R59 T60 L64 K65 I66 G162 A164 R165 D329	Q58-R62 VanDerWaalsContact CG-NH2 3.29Å; Q58-R62 VanDerWaalsContact O-CB 3.29Å; Q58-R62 WeakPolarHBondContact O-CB 3.31Å; Q58-R62 PolarHBondContact O-N 3.08Å; R59-R62 PolarHBondContact O-N 3.19Å; T60-R62 VanDerWaalsContact C-N 3.32Å; T60-R62 PolarHBondContact O-N 2.98Å; R62-L64 VanDerWaalsContact C-N 3.35Å; R62-L64 PolarHBondContact O-N 3.26Å; R62-K65 PolarHBondContact O-N 2.96Å; R62-I66 HydrophobicContact CG-CD1 3.79Å; R62-I66 HydrophobicContact CG-CG1 4.47Å; R62-I66 WeakPolarHBondContact O-CB 3.15Å; R62-I66 WeakPolarHBondContact O-CG1 3.32Å; R62-I66 PolarHBondContact O-N 3.3Å; R62-G162 PolarHBondContact NH1-O 2.89Å; R62-A164 WeakPolarHBondContact CD-O 3.44Å; R62-R165 VanDerWaalsContact CZ-CZ 3.48Å; R62-D329 IonicContact CZ-OD1 3.76Å; R62-D329 IonicContact NH2-OD1 3.41Å; R62-D329 PolarHBondContact NH2-OD1 2.92Å
63	E	93.1	Very high	92.2	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.023	20%	0.204	C	C	.	.	H	α-helix	trans	-57.8	-48	176.8	-179.1	174.2	-164.7	0	0	110.8	K46 R59 T60 L67 F161	K46-E63 IonicContact NZ-OE1 2.76Å; K46-E63 PolarHBondContact NZ-OE1 2.85Å; K46-E63 IonicContact NZ-OE2 2.8Å; K46-E63 PolarHBondContact NZ-OE2 2.88Å; R59-E63 WeakPolarHBondContact O-CB 3.41Å; R59-E63 PolarHBondContact O-N 3.2Å; T60-E63 PolarHBondContact O-N 2.98Å; E63-L67 HydrophobicContact CG-CD1 3.81Å; E63-L67 HydrophobicContact CG-CG 4.44Å; E63-L67 VanDerWaalsContact O-CB 3.3Å; E63-L67 WeakPolarHBondContact O-CB 3.35Å; E63-L67 WeakPolarHBondContact O-CG 3.25Å; E63-L67 PolarHBondContact O-N 3.32Å; E63-F161 HydrophobicContact CG-CB 4.5Å
64	L	93.4	Very high	92.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.8	-49.8	176.1	-68.6	178.4	0	0	0	111.6	T60 Y61 R62 I66 L67 L68 I78 I81 I96 I340	T60-L64 HydrophobicContact CG2-CD1 4.43Å; T60-L64 WeakPolarHBondContact O-CG 3.41Å; T60-L64 PolarHBondContact O-N 3.25Å; Y61-L64 PolarHBondContact O-N 2.89Å; R62-L64 VanDerWaalsContact C-N 3.35Å; R62-L64 PolarHBondContact O-N 3.26Å; L64-I66 VanDerWaalsContact C-N 3.33Å; L64-I66 PolarHBondContact O-N 3.38Å; L64-L67 PolarHBondContact O-N 2.84Å; L64-L68 VanDerWaalsContact O-CB 3.28Å; L64-L68 WeakPolarHBondContact O-CB 3.47Å; L64-L68 WeakPolarHBondContact O-CG 3.12Å; L64-L68 PolarHBondContact O-N 3.36Å; L64-I78 HydrophobicContact CD2-CD1 3.74Å; L64-I81 HydrophobicContact CD2-CD1 3.76Å; L64-I81 HydrophobicContact CD2-CG1 4.21Å; L64-I96 HydrophobicContact CD2-CD1 3.73Å; L64-I96 HydrophobicContact CD2-CG1 3.98Å; L64-I96 HydrophobicContact CD2-CG2 4.47Å; L64-I96 HydrophobicContact CG-CD1 4.44Å; L64-I340 HydrophobicContact CD1-CG2 4.24Å
65	K	92.5	Very high	93.2	Very high	54 Å²	54	30 Å²	30	24%	0.235	17%	0.167	C	C	.	.	H	α-helix	trans	-59.6	-43.8	-176.1	-174.1	55	166.8	-173	0	112.4	Y61 R62 F322 E343	Y61-K65 WeakPolarHBondContact O-CB 3.44Å; Y61-K65 PolarHBondContact O-N 3.1Å; R62-K65 PolarHBondContact O-N 2.96Å; K65-F322 HydrophobicContact CG-CE1 4.42Å; K65-E343 WeakPolarHBondContact CD-OE1 3.44Å; K65-E343 IonicContact NZ-OE1 2.81Å; K65-E343 PolarHBondContact NZ-OE1 2.94Å; K65-E343 IonicContact NZ-OE2 3.95Å
66	I	93.5	Very high	93.8	Very high	10 Å²	10	27.1 Å²	27.1	5%	0.051	15%	0.149	C	C	.	.	H	α-helix	trans	-70.1	-51.7	-179.8	-70.8	172.6	0	0	0	110.6	R62 L64 L68 G69 F70 V138 F161 A164 F322	R62-I66 HydrophobicContact CG-CD1 3.79Å; R62-I66 HydrophobicContact CG-CG1 4.47Å; R62-I66 WeakPolarHBondContact O-CB 3.15Å; R62-I66 WeakPolarHBondContact O-CG1 3.32Å; R62-I66 PolarHBondContact O-N 3.3Å; L64-I66 VanDerWaalsContact C-N 3.33Å; L64-I66 PolarHBondContact O-N 3.38Å; I66-L68 PolarHBondContact O-N 3.31Å; I66-G69 PolarHBondContact O-N 2.97Å; I66-F70 HydrophobicContact CG2-CD2 3.73Å; I66-F70 HydrophobicContact CG2-CE1 4.35Å; I66-F70 HydrophobicContact CG2-CE2 3.25Å; I66-F70 HydrophobicContact CG2-CG 4.49Å; I66-F70 HydrophobicContact CG2-CZ 3.62Å; I66-F70 WeakPolarHBondContact O-CG 3.49Å; I66-F70 PolarHBondContact O-N 3.02Å; I66-V138 HydrophobicContact CD1-CG1 4.23Å; I66-F161 HydrophobicContact CB-CB 4.48Å; I66-F161 HydrophobicContact CD1-CB 4.49Å; I66-F161 HydrophobicContact CG2-CB 4.23Å; I66-F161 HydrophobicContact CG2-CD1 3.72Å; I66-F161 HydrophobicContact CG2-CE1 4.31Å; I66-F161 HydrophobicContact CG2-CG 4.03Å; I66-A164 HydrophobicContact CD1-CB 3.55Å; I66-F322 HydrophobicContact CG1-CZ 4.49Å
67	L	95	Very high	94.1	Very high	4 Å²	4	26 Å²	26	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-37.7	-175.2	-73.8	-178.6	0	0	0	112.7	E63 L64 G69 F70 I75 I76 I78 F161	E63-L67 HydrophobicContact CG-CD1 3.81Å; E63-L67 HydrophobicContact CG-CG 4.44Å; E63-L67 VanDerWaalsContact O-CB 3.3Å; E63-L67 WeakPolarHBondContact O-CB 3.35Å; E63-L67 WeakPolarHBondContact O-CG 3.25Å; E63-L67 PolarHBondContact O-N 3.32Å; L64-L67 PolarHBondContact O-N 2.84Å; L67-G69 PolarHBondContact O-N 2.84Å; L67-F70 PolarHBondContact O-N 3.25Å; L67-F70 VanDerWaalsContact O-N 3.1Å; L67-I75 HydrophobicContact CD2-CG2 4.02Å; L67-I76 HydrophobicContact CD1-CG2 4.03Å; L67-I76 HydrophobicContact CD2-CG2 3.88Å; L67-I76 WeakPolarHBondContact CD2-O 3.31Å; L67-I78 HydrophobicContact CB-CD1 3.51Å; L67-I78 HydrophobicContact CB-CG1 3.87Å; L67-I78 HydrophobicContact CD1-CD1 3.98Å; L67-I78 HydrophobicContact CD1-CG1 4.03Å; L67-I78 HydrophobicContact CG-CD1 4.4Å; L67-F161 HydrophobicContact CD1-CD2 4.44Å; L67-F161 HydrophobicContact CD2-CD2 3.38Å; L67-F161 HydrophobicContact CD2-CE2 3.46Å; L67-F161 VanDerWaalsContact CD2-CE2 3.46Å; L67-F161 HydrophobicContact CD2-CG 4.25Å; L67-F161 HydrophobicContact CD2-CZ 4.37Å; L67-F161 HydrophobicContact CG-CD2 3.94Å; L67-F161 HydrophobicContact CG-CE2 4.49Å
68	L	93.6	Very high	94.3	Very high	48 Å²	48	26.7 Å²	26.7	25%	0.251	15%	0.15	S	C	.	.	H	α-helix	trans	-64.8	-23.2	174.7	-70.2	174.1	0	0	0	112.9	L64 I66 I78 I81 E343 F347	L64-L68 VanDerWaalsContact O-CB 3.28Å; L64-L68 WeakPolarHBondContact O-CB 3.47Å; L64-L68 WeakPolarHBondContact O-CG 3.12Å; L64-L68 PolarHBondContact O-N 3.36Å; I66-L68 PolarHBondContact O-N 3.31Å; L68-I78 HydrophobicContact CD2-CB 4.24Å; L68-I78 HydrophobicContact CD2-CD1 4.3Å; L68-I78 HydrophobicContact CD2-CG2 4.25Å; L68-I78 HydrophobicContact CG-CD1 4.22Å; L68-I81 HydrophobicContact CD1-CD1 4.16Å; L68-I81 HydrophobicContact CD2-CD1 4.31Å; L68-E343 HydrophobicContact CD1-CB 4.39Å; L68-F347 HydrophobicContact CD2-CB 4.4Å; L68-F347 HydrophobicContact CD2-CD1 4.04Å; L68-F347 HydrophobicContact CD2-CD2 3.43Å; L68-F347 VanDerWaalsContact CD2-CD2 3.43Å; L68-F347 HydrophobicContact CD2-CE1 4.14Å; L68-F347 HydrophobicContact CD2-CE2 3.58Å; L68-F347 HydrophobicContact CD2-CG 3.68Å; L68-F347 HydrophobicContact CD2-CZ 3.95Å
69	G	92.4	Very high	94.6	Very high	46 Å²	46	27.2 Å²	27.2	47%	0.474	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-5.8	174.6	0	0	0	0	0	114.3	I66 L67	I66-G69 PolarHBondContact O-N 2.97Å; L67-G69 PolarHBondContact O-N 2.84Å
70	F	95.4	Very high	94.8	Very high	22 Å²	22	26.9 Å²	26.9	10%	0.096	15%	0.151	C	C	.	.			trans	-102.1	142.6	-176.5	-73.2	-12.2	0	0	0	112.7	I66 L67 I75 Y132 I133 A136 V138 F161 F322	I66-F70 HydrophobicContact CG2-CD2 3.73Å; I66-F70 HydrophobicContact CG2-CE1 4.35Å; I66-F70 HydrophobicContact CG2-CE2 3.25Å; I66-F70 HydrophobicContact CG2-CG 4.49Å; I66-F70 HydrophobicContact CG2-CZ 3.62Å; I66-F70 WeakPolarHBondContact O-CG 3.49Å; I66-F70 PolarHBondContact O-N 3.02Å; L67-F70 PolarHBondContact O-N 3.25Å; L67-F70 VanDerWaalsContact O-N 3.1Å; F70-I75 HydrophobicContact CB-CG2 4.41Å; F70-I75 HydrophobicContact CD2-CD1 3.88Å; F70-I75 HydrophobicContact CD2-CG2 3.93Å; F70-I75 HydrophobicContact CE2-CD1 4.26Å; F70-I75 HydrophobicContact CG-CD1 4.28Å; F70-Y132 HydrophobicContact CB-CE1 4.22Å; F70-Y132 HydrophobicContact CD1-CD1 4.26Å; F70-Y132 AromaticContact CD1-CE1 3.66Å; F70-Y132 HydrophobicContact CD1-CE1 3.66Å; F70-Y132 HydrophobicContact CE1-CD1 4.49Å; F70-Y132 HydrophobicContact CE1-CE1 4.2Å; F70-Y132 HydrophobicContact CG-CE1 4.07Å; F70-I133 HydrophobicContact CE2-CG1 3.98Å; F70-I133 HydrophobicContact CZ-CG1 4.27Å; F70-I133 HydrophobicContact CZ-CG2 4.46Å; F70-A136 HydrophobicContact CE1-CB 3.49Å; F70-A136 VanDerWaalsContact CE1-CB 3.49Å; F70-A136 HydrophobicContact CZ-CB 4.08Å; F70-V138 HydrophobicContact CZ-CB 4.26Å; F70-V138 HydrophobicContact CZ-CG2 4.09Å; F70-F161 HydrophobicContact CD2-CE1 4.29Å; F70-F161 HydrophobicContact CD2-CZ 4.28Å; F70-F161 HydrophobicContact CE2-CD1 4.17Å; F70-F161 AromaticContact CE2-CE1 3.61Å; F70-F161 HydrophobicContact CE2-CE1 3.61Å; F70-F161 HydrophobicContact CE2-CZ 4.03Å; F70-F322 HydrophobicContact CD1-CE2 4.17Å; F70-F322 HydrophobicContact CE1-CD2 4.43Å; F70-F322 AromaticContact CE1-CE2 3.62Å; F70-F322 HydrophobicContact CE1-CE2 3.62Å; F70-F322 HydrophobicContact CZ-CE2 4.29Å
71	S	95.4	Very high	94.9	Very high	101 Å²	101	26.8 Å²	26.8	71%	0.706	15%	0.151	S	C	*	.			trans	-146.4	91.3	174.8	-173.4	0	0	0	0	107.6
72	H	97.7	Very high	94.9	Very high	21 Å²	21	27.1 Å²	27.1	10%	0.097	15%	0.153	C	C	.	.			trans	-154.5	141.3	-174.7	-171.1	-88.6	0	0	0	110.3	N74 I75 Y132	H72-N74 VanDerWaalsContact C-N 3.32Å; H72-N74 PolarHBondContact CE1-OD1 3.1Å; H72-N74 PolarHBondContact ND1-N 3.31Å; H72-N74 PolarHBondContact O-N 3.29Å; H72-I75 HydrophobicContact CB-CB 4.22Å; H72-I75 HydrophobicContact CB-CD1 3.78Å; H72-I75 HydrophobicContact CB-CG1 3.95Å; H72-I75 PolarHBondContact O-N 3.49Å; H72-Y132 HydrophobicContact CB-CD1 3.99Å; H72-Y132 HydrophobicContact CB-CD2 4.2Å; H72-Y132 HydrophobicContact CB-CE1 4.3Å; H72-Y132 HydrophobicContact CB-CE2 4.49Å; H72-Y132 HydrophobicContact CB-CG 3.94Å; H72-Y132 AromaticContact CD2-CD2 3.56Å; H72-Y132 AromaticContact CD2-CG 3.61Å; H72-Y132 AromaticContact CG-CG 3.91Å
73	E	97.5	Very high	95	Very high	122 Å²	122	27.7 Å²	27.7	57%	0.57	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-36.4	-175.5	-64.8	169	115.2	0	0	112.5	I75 R128 K157	E73-I75 VanDerWaalsContact C-N 3.29Å; E73-I75 PolarHBondContact O-N 3.15Å; E73-R128 IonicContact OE2-CZ 3.58Å; E73-R128 VanDerWaalsContact OE2-CZ 3.27Å; E73-R128 IonicContact OE2-NH1 3.01Å; E73-R128 PolarHBondContact OE2-NH1 3.38Å; E73-R128 IonicContact OE2-NH2 3.96Å; E73-R128 PolarHBondContact OE2-NH2 3.48Å; E73-K157 WeakPolarHBondContact O-CG 3.27Å; E73-K157 PolarHBondContact O-NZ 3.38Å
74	N	98.6	Very high	94.9	Very high	8 Å²	8	27.8 Å²	27.8	4%	0.043	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	18.5	179.2	-49.3	111.4	0	0	0	115.1	H72 Q125 R128 L156 I158	H72-N74 VanDerWaalsContact C-N 3.32Å; H72-N74 PolarHBondContact CE1-OD1 3.1Å; H72-N74 PolarHBondContact ND1-N 3.31Å; H72-N74 PolarHBondContact O-N 3.29Å; N74-Q125 WeakPolarHBondContact CB-O 3.28Å; N74-Q125 WeakPolarHBondContact ND2-CB 3.32Å; N74-Q125 WeakPolarHBondContact ND2-CG 3.39Å; N74-Q125 PolarHBondContact ND2-OE1 3.47Å; N74-R128 WeakPolarHBondContact OD1-CD 3.37Å; N74-R128 PolarHBondContact OD1-NH1 3.04Å; N74-L156 WeakPolarHBondContact CA-O 3.48Å; N74-L156 WeakPolarHBondContact CB-O 3.17Å; N74-L156 PolarHBondContact ND2-O 2.62Å; N74-I158 WeakPolarHBondContact O-CG1 3.34Å; N74-I158 PolarHBondContact O-N 2.88Å
75	I	98.5	Very high	94.6	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.015	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-124.3	141.8	172.7	-57.5	176.5	0	0	0	108.2	L67 F70 H72 E73 Y132 I133 K157 F161	L67-I75 HydrophobicContact CD2-CG2 4.02Å; F70-I75 HydrophobicContact CB-CG2 4.41Å; F70-I75 HydrophobicContact CD2-CD1 3.88Å; F70-I75 HydrophobicContact CD2-CG2 3.93Å; F70-I75 HydrophobicContact CE2-CD1 4.26Å; F70-I75 HydrophobicContact CG-CD1 4.28Å; H72-I75 HydrophobicContact CB-CB 4.22Å; H72-I75 HydrophobicContact CB-CD1 3.78Å; H72-I75 HydrophobicContact CB-CG1 3.95Å; H72-I75 PolarHBondContact O-N 3.49Å; E73-I75 VanDerWaalsContact C-N 3.29Å; E73-I75 PolarHBondContact O-N 3.15Å; I75-Y132 HydrophobicContact CD1-CD1 3.62Å; I75-Y132 HydrophobicContact CD1-CE1 4.39Å; I75-Y132 HydrophobicContact CD1-CG 4.33Å; I75-I133 HydrophobicContact CD1-CD1 4.17Å; I75-I133 HydrophobicContact CD1-CG1 3.61Å; I75-I133 HydrophobicContact CG1-CD1 4.42Å; I75-I133 HydrophobicContact CG1-CG1 4.37Å; I75-K157 PolarHBondContact O-NZ 3.14Å; I75-F161 HydrophobicContact CG2-CE2 3.85Å; I75-F161 HydrophobicContact CG2-CZ 3.78Å
76	I	97.6	Very high	94.2	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.015	19%	0.194	C	C	.	.			trans	-64.6	135	175.7	-164.7	61.4	0	0	0	110.5	L67 Q98 M101 L149 K157 I158 C159	L67-I76 HydrophobicContact CD1-CG2 4.03Å; L67-I76 HydrophobicContact CD2-CG2 3.88Å; L67-I76 WeakPolarHBondContact CD2-O 3.31Å; I76-Q98 HydrophobicContact CD1-CB 4.17Å; I76-Q98 HydrophobicContact CG1-CB 4.01Å; I76-Q98 HydrophobicContact CG1-CG 4.41Å; I76-M101 HydrophobicContact CD1-CG 4.47Å; I76-L149 HydrophobicContact CD1-CD1 4.2Å; I76-K157 HydrophobicContact CB-CB 4.48Å; I76-K157 HydrophobicContact CD1-CB 4.5Å; I76-K157 HydrophobicContact CD1-CD 3.92Å; I76-I158 WeakPolarHBondContact CG2-O 3.44Å; I76-I158 PolarHBondContact N-O 3.08Å; I76-C159 HydrophobicContact CB-CB 4.06Å; I76-C159 HydrophobicContact CG2-CB 3.66Å
77	D	95.9	Very high	93.8	Very high	53 Å²	53	35.6 Å²	35.6	28%	0.283	21%	0.208	S	C	.	.			trans	-91.9	162.3	177.1	64.2	-36.7	0	0	0	111.4	K79 Q98 T99	D77-K79 WeakPolarHBondContact OD2-CE 3.33Å; D77-K79 VanDerWaalsContact OD2-CG 3.3Å; D77-K79 WeakPolarHBondContact OD2-CG 3.47Å; D77-Q98 VanDerWaalsContact O-CB 3.31Å; D77-Q98 WeakPolarHBondContact O-CB 3.16Å; D77-Q98 VanDerWaalsContact O-CG 3.3Å; D77-Q98 WeakPolarHBondContact O-CG 3.15Å; D77-Q98 PolarHBondContact O-NE2 3.31Å; D77-T99 VanDerWaalsContact CG-OG1 3.23Å; D77-T99 WeakPolarHBondContact OD1-CB 3.5Å; D77-T99 PolarHBondContact OD1-N 3.49Å; D77-T99 VanDerWaalsContact OD1-N 3.15Å; D77-T99 PolarHBondContact OD1-OG1 2.99Å; D77-T99 PolarHBondContact OD2-OG1 2.98Å
78	I	95.7	Very high	93.4	Very high	16 Å²	16	37.1 Å²	37.1	8%	0.082	22%	0.216	C	C	.	.			trans	-108.2	119.8	163.8	-63.7	177.4	0	0	0	106.5	L64 L67 L68 I81 I96 I97 F347	L64-I78 HydrophobicContact CD2-CD1 3.74Å; L67-I78 HydrophobicContact CB-CD1 3.51Å; L67-I78 HydrophobicContact CB-CG1 3.87Å; L67-I78 HydrophobicContact CD1-CD1 3.98Å; L67-I78 HydrophobicContact CD1-CG1 4.03Å; L67-I78 HydrophobicContact CG-CD1 4.4Å; L68-I78 HydrophobicContact CD2-CB 4.24Å; L68-I78 HydrophobicContact CD2-CD1 4.3Å; L68-I78 HydrophobicContact CD2-CG2 4.25Å; L68-I78 HydrophobicContact CG-CD1 4.22Å; I78-I81 HydrophobicContact CG2-CD1 4.08Å; I78-I81 HydrophobicContact CG2-CG1 3.56Å; I78-I96 HydrophobicContact CD1-CG2 4.02Å; I78-I96 HydrophobicContact CG1-CG2 3.82Å; I78-I96 HydrophobicContact CG2-CG2 4.17Å; I78-I97 CarbonylContact C-O 3.6Å; I78-F347 HydrophobicContact CG2-CD1 4.4Å; I78-F347 HydrophobicContact CG2-CE1 3.72Å; I78-F347 HydrophobicContact CG2-CZ 4.2Å; I78-F347 VanDerWaalsContact O-CZ 3.28Å; I78-F347 WeakPolarHBondContact O-CZ 3.39Å
79	K	94.8	Very high	93.1	Very high	16 Å²	16	40.6 Å²	40.6	7%	0.07	23%	0.231	C	C	.	.			trans	-90.9	-36.2	177.4	-63.8	-171.5	173.7	-170.6	0	112.4	E41 V43 D77 I97 T99	E41-K79 WeakPolarHBondContact OE1-CD 3.44Å; E41-K79 IonicContact OE1-NZ 3.34Å; E41-K79 PolarHBondContact OE1-NZ 3.4Å; E41-K79 IonicContact OE2-NZ 3.45Å; E41-K79 PolarHBondContact OE2-NZ 3.03Å; V43-K79 HydrophobicContact CG1-CD 4.08Å; D77-K79 WeakPolarHBondContact OD2-CE 3.33Å; D77-K79 VanDerWaalsContact OD2-CG 3.3Å; D77-K79 WeakPolarHBondContact OD2-CG 3.47Å; K79-I97 HydrophobicContact CB-CG2 4.23Å; K79-I97 PolarHBondContact N-O 2.99Å; K79-T99 WeakPolarHBondContact CE-OG1 3.48Å
80	N	94.4	Very high	92.9	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.011	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	161.6	176.2	-160.9	-2.6	0	0	0	110.1	Y17 I97	Y17-N80 VanDerWaalsContact OH-CB 3.3Å; Y17-N80 WeakPolarHBondContact OH-CB 3.41Å; Y17-N80 PolarHBondContact OH-ND2 3.4Å; N80-I97 HydrophobicContact CB-CB 4.02Å; N80-I97 HydrophobicContact CB-CD1 4.13Å; N80-I97 HydrophobicContact CB-CG1 4.36Å; N80-I97 PolarHBondContact N-O 3.48Å; N80-I97 WeakPolarHBondContact O-CB 3.32Å; N80-I97 WeakPolarHBondContact O-CD1 3.48Å; N80-I97 PolarHBondContact O-N 3.44Å
81	I	94.4	Very high	92.7	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	127.1	173.6	-48.2	162.1	0	0	0	108.9	L64 L68 I78 V94 Y95 V344 F347	L64-I81 HydrophobicContact CD2-CD1 3.76Å; L64-I81 HydrophobicContact CD2-CG1 4.21Å; L68-I81 HydrophobicContact CD1-CD1 4.16Å; L68-I81 HydrophobicContact CD2-CD1 4.31Å; I78-I81 HydrophobicContact CG2-CD1 4.08Å; I78-I81 HydrophobicContact CG2-CG1 3.56Å; I81-V94 HydrophobicContact CG2-CG1 3.83Å; I81-Y95 WeakPolarHBondContact CA-O 3.41Å; I81-V344 HydrophobicContact CB-CG1 4.38Å; I81-V344 HydrophobicContact CB-CG2 4.05Å; I81-V344 HydrophobicContact CD1-CG2 4.32Å; I81-V344 HydrophobicContact CG2-CG1 4.4Å; I81-V344 HydrophobicContact CG2-CG2 3.52Å; I81-F347 HydrophobicContact CD1-CB 4.43Å; I81-F347 HydrophobicContact CD1-CD1 3.82Å; I81-F347 HydrophobicContact CD1-CG 4.35Å; I81-F347 HydrophobicContact CG1-CD1 3.91Å; I81-F347 HydrophobicContact CG1-CE1 4.32Å
82	I	92.5	Very high	92.4	Very high	17 Å²	17	43.4 Å²	43.4	9%	0.087	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.6	174.9	-51.3	165.5	0	0	0	108.5	V13 Y17 Y95 I97	V13-I82 HydrophobicContact CB-CD1 4.44Å; V13-I82 HydrophobicContact CG1-CD1 4.48Å; Y17-I82 HydrophobicContact CD2-CD1 3.86Å; Y17-I82 HydrophobicContact CE2-CD1 3.5Å; Y17-I82 VanDerWaalsContact CE2-CD1 3.5Å; Y17-I82 HydrophobicContact CE2-CG1 4.34Å; I82-Y95 HydrophobicContact CB-CD2 4.31Å; I82-Y95 PolarHBondContact N-O 2.96Å; I82-Y95 PolarHBondContact O-N 3.17Å; I82-I97 HydrophobicContact CD1-CD1 3.84Å; I82-I97 HydrophobicContact CG1-CD1 3.74Å
83	L	92.6	Very high	92.2	Very high	26 Å²	26	43.1 Å²	43.1	14%	0.136	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.1	173.3	-178	64.8	0	0	0	110.2	F51 M91 V94 F341 V344	F51-L83 HydrophobicContact CE2-CD1 4.18Å; F51-L83 HydrophobicContact CZ-CD1 3.99Å; L83-M91 HydrophobicContact CD1-CB 4.48Å; L83-M91 HydrophobicContact CD1-CE 3.67Å; L83-M91 HydrophobicContact CD1-CG 4.03Å; L83-M91 HydrophobicContact CD2-CE 3.73Å; L83-M91 HydrophobicContact CD2-CG 3.9Å; L83-M91 HydrophobicContact CD2-SD 3.92Å; L83-M91 HydrophobicContact CG-CE 4.3Å; L83-M91 HydrophobicContact CG-CG 4.15Å; L83-V94 HydrophobicContact CD1-CG2 3.89Å; L83-F341 HydrophobicContact CD2-CB 4.41Å; L83-F341 HydrophobicContact CD2-CD2 3.62Å; L83-F341 HydrophobicContact CD2-CE2 4.38Å; L83-F341 HydrophobicContact CD2-CG 4.44Å; L83-V344 HydrophobicContact CB-CG1 4.2Å
84	V	91.3	Very high	92	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	114.1	174.8	173.6	0	0	0	0	109.8	M1 E12 M91 K92 D93 Y95	M1-V84 HydrophobicContact CE-CG1 4.25Å; M1-V84 HydrophobicContact CE-CG2 4.15Å; M1-V84 HydrophobicContact SD-CG2 3.89Å; E12-V84 HydrophobicContact CB-CG2 3.97Å; V84-M91 WeakPolarHBondContact O-CA 3.16Å; V84-K92 PolarHBondContact O-N 3.45Å; V84-D93 HydrophobicContact CB-CB 4.14Å; V84-D93 HydrophobicContact CG2-CB 4.33Å; V84-D93 PolarHBondContact N-O 3.39Å; V84-Y95 HydrophobicContact CB-CE2 4.47Å; V84-Y95 HydrophobicContact CG2-CD2 4.09Å; V84-Y95 HydrophobicContact CG2-CE2 3.42Å; V84-Y95 VanDerWaalsContact CG2-CE2 3.42Å
85	G	88.2	Confident	91.8	Very high	17 Å²	17	36.9 Å²	36.9	18%	0.175	19%	0.192	C	C	.	.			trans	132.5	133.7	-179	0	0	0	0	0	110.7	D90	G85-D90 WeakPolarHBondContact CA-O 3.46Å
86	N	82.4	Confident	91.7	Very high	153 Å²	153	36.8 Å²	36.8	82%	0.818	19%	0.191	S	C	*	.	S	Bend	trans	-88.6	-17.6	-179.1	-65.1	-34.6	0	0	0	112.9
87	T	86.2	Confident	91.6	Very high	57 Å²	57	36.6 Å²	36.6	35%	0.35	19%	0.19	S	C	.	.	S	Bend	trans	-126.3	162.1	179.8	70.1	0	0	0	0	109.5	E89 D90 M91	T87-E89 PolarHBondContact O-N 2.91Å; T87-D90 PolarHBondContact O-N 2.97Å; T87-D90 VanDerWaalsContact O-N 3.14Å; T87-D90 WeakPolarHBondContact OG1-CB 3.07Å; T87-D90 PolarHBondContact OG1-N 3.28Å; T87-D90 VanDerWaalsContact OG1-N 3.07Å; T87-D90 PolarHBondContact OG1-OD2 3.16Å; T87-M91 WeakPolarHBondContact O-CG 3.46Å; T87-M91 PolarHBondContact O-N 3.29Å; T87-M91 VanDerWaalsContact O-N 3.16Å
88	L	85.9	Confident	91.6	Very high	37 Å²	37	34.9 Å²	34.9	19%	0.194	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-36.6	175.9	-68.8	168.3	0	0	0	111.3	M91 K337 K338 F341	L88-M91 HydrophobicContact CD2-SD 3.84Å; L88-K337 HydrophobicContact CD2-CB 4.12Å; L88-K337 VanDerWaalsContact O-CD 3.29Å; L88-K337 WeakPolarHBondContact O-CD 3.44Å; L88-K337 PolarHBondContact O-NZ 3.4Å; L88-K338 HydrophobicContact CD1-CD 4.23Å; L88-K338 HydrophobicContact CD1-CG 3.5Å; L88-K338 HydrophobicContact CD2-CB 4.37Å; L88-K338 HydrophobicContact CD2-CG 3.78Å; L88-K338 HydrophobicContact CG-CG 4.32Å; L88-F341 HydrophobicContact CD2-CB 4.25Å
89	E	86.9	Confident	91.7	Very high	121 Å²	121	35.7 Å²	35.7	57%	0.565	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-38.8	179.1	-67.4	70.3	-157.3	0	0	111.1	T87 R334	T87-E89 PolarHBondContact O-N 2.91Å; E89-R334 IonicContact OE1-NH2 3.78Å
90	D	89.2	Confident	91.8	Very high	87 Å²	87	37 Å²	37	47%	0.465	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.9	-178	-59.9	-37.8	0	0	0	114.7	G85 T87 K92	G85-D90 WeakPolarHBondContact CA-O 3.46Å; T87-D90 PolarHBondContact O-N 2.97Å; T87-D90 VanDerWaalsContact O-N 3.14Å; T87-D90 WeakPolarHBondContact OG1-CB 3.07Å; T87-D90 PolarHBondContact OG1-N 3.28Å; T87-D90 VanDerWaalsContact OG1-N 3.07Å; T87-D90 PolarHBondContact OG1-OD2 3.16Å; D90-K92 PolarHBondContact O-N 2.82Å
91	M	90.8	Very high	91.9	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.03	20%	0.197	C	C	.	.			trans	-59.7	118.3	176.5	-76	169.5	66	0	0	111.1	F51 L83 V84 T87 L88 K337 I340 F341	F51-M91 HydrophobicContact CD2-CB 4.02Å; F51-M91 VanDerWaalsContact CD2-O 3.27Å; F51-M91 WeakPolarHBondContact CD2-O 3.23Å; F51-M91 HydrophobicContact CE1-CE 3.57Å; F51-M91 HydrophobicContact CE2-CB 3.78Å; F51-M91 HydrophobicContact CE2-CE 4.14Å; F51-M91 HydrophobicContact CZ-CB 4.14Å; F51-M91 HydrophobicContact CZ-CE 3.33Å; L83-M91 HydrophobicContact CD1-CB 4.48Å; L83-M91 HydrophobicContact CD1-CE 3.67Å; L83-M91 HydrophobicContact CD1-CG 4.03Å; L83-M91 HydrophobicContact CD2-CE 3.73Å; L83-M91 HydrophobicContact CD2-CG 3.9Å; L83-M91 HydrophobicContact CD2-SD 3.92Å; L83-M91 HydrophobicContact CG-CE 4.3Å; L83-M91 HydrophobicContact CG-CG 4.15Å; V84-M91 WeakPolarHBondContact O-CA 3.16Å; T87-M91 WeakPolarHBondContact O-CG 3.46Å; T87-M91 PolarHBondContact O-N 3.29Å; T87-M91 VanDerWaalsContact O-N 3.16Å; L88-M91 HydrophobicContact CD2-SD 3.84Å; M91-K337 HydrophobicContact CB-CD 4.5Å; M91-K337 HydrophobicContact CE-CB 4.05Å; M91-K337 HydrophobicContact CE-CG 4.14Å; M91-K337 WeakPolarHBondContact CE-O 3.39Å; M91-K337 PolarHBondContact O-NZ 3.07Å; M91-K337 HydrophobicContact SD-CB 4.1Å; M91-K337 HydrophobicContact SD-CG 4.37Å; M91-I340 HydrophobicContact CE-CB 4.39Å; M91-I340 HydrophobicContact CE-CG2 4.2Å; M91-F341 HydrophobicContact CE-CB 4.5Å; M91-F341 HydrophobicContact SD-CB 4.33Å; M91-F341 HydrophobicContact SD-CD2 4.4Å
92	K	90.3	Very high	91.9	Very high	134 Å²	134	42.8 Å²	42.8	58%	0.583	23%	0.225	S	C	*	.			trans	-116.7	-57.1	-178.3	-71.3	179.9	-176	-176.3	0	113.4	F51 V84 D90	F51-K92 VanDerWaalsContact CD2-O 3.26Å; F51-K92 WeakPolarHBondContact CD2-O 3.33Å; V84-K92 PolarHBondContact O-N 3.45Å; D90-K92 PolarHBondContact O-N 2.82Å
93	D	93	Very high	92.1	Very high	15 Å²	15	44 Å²	44	8%	0.08	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.5	-172.1	-64.5	-36	0	0	0	110.8	K47 T48 S49 V84 Y95	K47-D93 WeakPolarHBondContact CE-OD1 3.44Å; K47-D93 WeakPolarHBondContact CE-OD2 3.35Å; K47-D93 IonicContact NZ-OD1 2.77Å; K47-D93 IonicContact NZ-OD2 3.41Å; K47-D93 PolarHBondContact NZ-OD2 3.43Å; T48-D93 CarbonylContact O-C 3.56Å; T48-D93 VanDerWaalsContact O-CA 3.29Å; T48-D93 WeakPolarHBondContact O-CA 3.47Å; S49-D93 WeakPolarHBondContact CB-OD1 3.38Å; S49-D93 PolarHBondContact OG-OD1 3.21Å; V84-D93 HydrophobicContact CB-CB 4.14Å; V84-D93 HydrophobicContact CG2-CB 4.33Å; V84-D93 PolarHBondContact N-O 3.39Å; D93-Y95 HydrophobicContact CB-CD2 4.37Å; D93-Y95 HydrophobicContact CB-CE2 3.57Å; D93-Y95 PolarHBondContact OD2-OH 2.88Å
94	V	93.8	Very high	92.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.1	167.6	-177.3	0	0	0	0	107.5	T48 P50 F51 I81 L83 I96 I340	T48-V94 PolarHBondContact N-O 3.43Å; T48-V94 PolarHBondContact O-N 3.47Å; T48-V94 PolarHBondContact OG1-O 3.23Å; P50-V94 HydrophobicContact CG-CG2 3.98Å; F51-V94 HydrophobicContact CE2-CG2 3.9Å; F51-V94 HydrophobicContact CZ-CG2 3.53Å; I81-V94 HydrophobicContact CG2-CG1 3.83Å; L83-V94 HydrophobicContact CD1-CG2 3.89Å; V94-I96 HydrophobicContact CG1-CG1 4.15Å; V94-I340 HydrophobicContact CG2-CG2 4.27Å
95	Y	94.4	Very high	92.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.8	172.2	-57.4	-102.8	0	0	0	108	F11 E12 V13 I45 K46 K47 I81 I82 V84 D93	F11-Y95 HydrophobicContact CB-CE1 4.36Å; F11-Y95 HydrophobicContact CD1-CD1 4.13Å; F11-Y95 AromaticContact CD1-CE1 3.55Å; F11-Y95 HydrophobicContact CD1-CE1 3.55Å; F11-Y95 HydrophobicContact CE1-CD1 4.46Å; F11-Y95 HydrophobicContact CE1-CE1 4.1Å; F11-Y95 HydrophobicContact CG-CE1 4.2Å; E12-Y95 PolarHBondContact N-OH 3.4Å; V13-Y95 HydrophobicContact CG1-CD1 4.07Å; V13-Y95 HydrophobicContact CG1-CE1 4.11Å; I45-Y95 HydrophobicContact CG2-CD1 3.75Å; I45-Y95 HydrophobicContact CG2-CG 4.29Å; K46-Y95 WeakPolarHBondContact O-CA 3.31Å; K47-Y95 HydrophobicContact CB-CD1 3.88Å; K47-Y95 HydrophobicContact CB-CE1 3.78Å; K47-Y95 HydrophobicContact CD-CE1 3.77Å; K47-Y95 WeakPolarHBondContact CE-OH 3.06Å; K47-Y95 HydrophobicContact CG-CD1 4.06Å; K47-Y95 HydrophobicContact CG-CE1 3.57Å; I81-Y95 WeakPolarHBondContact CA-O 3.41Å; I82-Y95 HydrophobicContact CB-CD2 4.31Å; I82-Y95 PolarHBondContact N-O 2.96Å; I82-Y95 PolarHBondContact O-N 3.17Å; V84-Y95 HydrophobicContact CB-CE2 4.47Å; V84-Y95 HydrophobicContact CG2-CD2 4.09Å; V84-Y95 HydrophobicContact CG2-CE2 3.42Å; V84-Y95 VanDerWaalsContact CG2-CE2 3.42Å; D93-Y95 HydrophobicContact CB-CD2 4.37Å; D93-Y95 HydrophobicContact CB-CE2 3.57Å; D93-Y95 PolarHBondContact OD2-OH 2.88Å
96	I	94.8	Very high	93	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.2	176.9	-50.6	178.2	0	0	0	107.1	K46 L64 I78 V94 Q98	K46-I96 HydrophobicContact CB-CB 4.39Å; K46-I96 PolarHBondContact N-O 3.47Å; K46-I96 PolarHBondContact O-N 3.12Å; L64-I96 HydrophobicContact CD2-CD1 3.73Å; L64-I96 HydrophobicContact CD2-CG1 3.98Å; L64-I96 HydrophobicContact CD2-CG2 4.47Å; L64-I96 HydrophobicContact CG-CD1 4.44Å; I78-I96 HydrophobicContact CD1-CG2 4.02Å; I78-I96 HydrophobicContact CG1-CG2 3.82Å; I78-I96 HydrophobicContact CG2-CG2 4.17Å; V94-I96 HydrophobicContact CG1-CG1 4.15Å; I96-Q98 HydrophobicContact CG2-CG 3.79Å
97	I	95.8	Very high	93.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.7	-179.2	-62.9	84.7	0	0	0	107.6	Y17 V43 A44 I45 I78 K79 N80 I82	Y17-I97 HydrophobicContact CE1-CG1 3.93Å; Y17-I97 HydrophobicContact CE1-CG2 3.94Å; V43-I97 HydrophobicContact CB-CG2 3.75Å; V43-I97 HydrophobicContact CG1-CG2 4.05Å; V43-I97 HydrophobicContact CG2-CG2 3.79Å; A44-I97 CarbonylContact O-C 3.55Å; A44-I97 WeakPolarHBondContact O-CA 3.18Å; I45-I97 HydrophobicContact CG1-CG1 4.13Å; I45-I97 HydrophobicContact CG2-CG1 4.43Å; I78-I97 CarbonylContact C-O 3.6Å; K79-I97 HydrophobicContact CB-CG2 4.23Å; K79-I97 PolarHBondContact N-O 2.99Å; N80-I97 HydrophobicContact CB-CB 4.02Å; N80-I97 HydrophobicContact CB-CD1 4.13Å; N80-I97 HydrophobicContact CB-CG1 4.36Å; N80-I97 PolarHBondContact N-O 3.48Å; N80-I97 WeakPolarHBondContact O-CB 3.32Å; N80-I97 WeakPolarHBondContact O-CD1 3.48Å; N80-I97 PolarHBondContact O-N 3.44Å; I82-I97 HydrophobicContact CD1-CD1 3.84Å; I82-I97 HydrophobicContact CG1-CD1 3.74Å
98	Q	96.6	Very high	94.2	Very high	17 Å²	17	42 Å²	42	8%	0.079	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	167.6	-170.4	-53.6	-171.5	-81.3	0	0	110.6	A44 I76 D77 I96 L100	A44-Q98 PolarHBondContact N-O 2.88Å; A44-Q98 PolarHBondContact O-N 3.48Å; I76-Q98 HydrophobicContact CD1-CB 4.17Å; I76-Q98 HydrophobicContact CG1-CB 4.01Å; I76-Q98 HydrophobicContact CG1-CG 4.41Å; D77-Q98 VanDerWaalsContact O-CB 3.31Å; D77-Q98 WeakPolarHBondContact O-CB 3.16Å; D77-Q98 VanDerWaalsContact O-CG 3.3Å; D77-Q98 WeakPolarHBondContact O-CG 3.15Å; D77-Q98 PolarHBondContact O-NE2 3.31Å; I96-Q98 HydrophobicContact CG2-CG 3.79Å; Q98-L100 PolarHBondContact O-N 3.39Å
99	T	96.7	Very high	94.7	Very high	33 Å²	33	40.5 Å²	40.5	20%	0.202	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	132.1	167.2	-67.2	0	0	0	0	110.7	D77 K79 M101	D77-T99 VanDerWaalsContact CG-OG1 3.23Å; D77-T99 WeakPolarHBondContact OD1-CB 3.5Å; D77-T99 PolarHBondContact OD1-N 3.49Å; D77-T99 VanDerWaalsContact OD1-N 3.15Å; D77-T99 PolarHBondContact OD1-OG1 2.99Å; D77-T99 PolarHBondContact OD2-OG1 2.98Å; K79-T99 WeakPolarHBondContact CE-OG1 3.48Å; T99-M101 HydrophobicContact CG2-SD 4.1Å
100	L	97.4	Very high	95.2	Very high	43 Å²	43	41 Å²	41	23%	0.225	20%	0.198	C	C	.	.			trans	-73.3	129.6	173.2	-177.4	63.4	0	0	0	109.8	I23 D33 K42 A44 Q98	I23-L100 HydrophobicContact CD1-CD1 4.2Å; D33-L100 HydrophobicContact CB-CD1 3.89Å; D33-L100 HydrophobicContact CB-CD2 4.08Å; K42-L100 HydrophobicContact CB-CD2 3.73Å; K42-L100 HydrophobicContact CD-CD2 4.14Å; A44-L100 HydrophobicContact CB-CD1 4Å; Q98-L100 PolarHBondContact O-N 3.39Å
101	M	97.1	Very high	95.5	Very high	17 Å²	17	41.7 Å²	41.7	8%	0.084	21%	0.205	C	C	.	.			trans	-118.2	147.9	173.5	-57.8	-64.5	-75.3	0	0	108.6	I76 T99 L149 N151 D155 K157	I76-M101 HydrophobicContact CD1-CG 4.47Å; T99-M101 HydrophobicContact CG2-SD 4.1Å; M101-L149 HydrophobicContact CB-CB 3.72Å; M101-L149 HydrophobicContact CB-CD1 4.29Å; M101-L149 HydrophobicContact CE-CB 4.18Å; M101-L149 WeakPolarHBondContact CE-O 3.27Å; M101-L149 HydrophobicContact CG-CB 3.65Å; M101-L149 HydrophobicContact CG-CD1 3.96Å; M101-L149 HydrophobicContact CG-CG 4.45Å; M101-N151 HydrophobicContact CE-CB 4.11Å; M101-N151 HydrophobicContact SD-CB 4.33Å; M101-D155 VanDerWaalsContact CE-O 3.31Å; M101-D155 WeakPolarHBondContact CE-O 3.25Å; M101-K157 HydrophobicContact CE-CB 4.11Å; M101-K157 HydrophobicContact CE-CD 4.17Å; M101-K157 HydrophobicContact CE-CG 4.02Å; M101-K157 HydrophobicContact SD-CD 3.79Å; M101-K157 HydrophobicContact SD-CG 4.32Å
102	D	95.1	Very high	95.7	Very high	112 Å²	112	46.8 Å²	46.8	60%	0.599	23%	0.229	S	C	*	.	S	Bend	trans	-79.5	-34.9	-171	-63.9	-66.9	0	0	0	113	L150 N151 A152	D102-L150 PolarHBondContact N-O 3.13Å; D102-N151 VanDerWaalsContact OD2-C 3.32Å; D102-N151 WeakPolarHBondContact OD2-CA 3.49Å; D102-N151 WeakPolarHBondContact OD2-CB 3.38Å; D102-A152 PolarHBondContact OD2-N 3.25Å
103	T	95.7	Very high	95.9	Very high	42 Å²	42	47.6 Å²	47.6	26%	0.258	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	-174	-177.7	-165.1	0	0	0	0	111.5	K107 L149 L150	T103-K107 WeakPolarHBondContact OG1-CB 3.36Å; T103-L149 CarbonylContact O-C 3.39Å; T103-L149 WeakPolarHBondContact O-CA 3.31Å; T103-L150 HydrophobicContact CG2-CB 3.91Å; T103-L150 PolarHBondContact N-O 3.3Å; T103-L150 PolarHBondContact O-N 3.04Å
104	D	96.4	Very high	96.1	Very high	14 Å²	14	47.9 Å²	47.9	8%	0.075	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	157.8	169.8	56.9	71	0	0	0	109.9	Y106 K107 L108 L148 L149	D104-Y106 PolarHBondContact O-N 3.47Å; D104-Y106 VanDerWaalsContact OD1-CB 3.32Å; D104-Y106 WeakPolarHBondContact OD1-CB 3.42Å; D104-Y106 PolarHBondContact OD1-N 3.21Å; D104-K107 PolarHBondContact O-N 3.13Å; D104-K107 WeakPolarHBondContact OD1-CG 3.34Å; D104-K107 PolarHBondContact OD1-N 3.03Å; D104-K107 VanDerWaalsContact OD2-CD 3.25Å; D104-K107 WeakPolarHBondContact OD2-CD 3.37Å; D104-K107 WeakPolarHBondContact OD2-CE 3.41Å; D104-K107 IonicContact OD2-NZ 2.9Å; D104-K107 PolarHBondContact OD2-NZ 2.75Å; D104-L108 PolarHBondContact O-N 3.43Å; D104-L148 CarbonylContact C-O 3.59Å; D104-L148 WeakPolarHBondContact CA-O 3.47Å; D104-L149 HydrophobicContact CB-CD2 4.19Å
105	L	98	Very high	96.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.4	-32.7	-177.8	-177	66.7	0	0	0	111.6	L108 L109 L114 F122 P145 L148 L150 I210 M214	L105-L108 HydrophobicContact CD1-CD2 4.38Å; L105-L108 PolarHBondContact O-N 2.79Å; L105-L109 HydrophobicContact CD1-CD1 4.24Å; L105-L109 HydrophobicContact CD1-CD2 4.44Å; L105-L109 HydrophobicContact CD1-CG 4.08Å; L105-L109 HydrophobicContact CD2-CD1 4.4Å; L105-L109 HydrophobicContact CG-CD1 3.9Å; L105-L109 HydrophobicContact CG-CG 4.17Å; L105-L109 WeakPolarHBondContact O-CB 3.41Å; L105-L109 VanDerWaalsContact O-CG 3.25Å; L105-L109 WeakPolarHBondContact O-CG 3.11Å; L105-L109 PolarHBondContact O-N 3.41Å; L105-L114 HydrophobicContact CD1-CD1 4.29Å; L105-F122 HydrophobicContact CD1-CD2 4.21Å; L105-P145 HydrophobicContact CB-CB 4.07Å; L105-P145 WeakPolarHBondContact CB-O 3.45Å; L105-P145 HydrophobicContact CD2-CB 4.16Å; L105-P145 HydrophobicContact CG-CB 4.11Å; L105-P145 PolarHBondContact N-O 3.5Å; L105-L148 HydrophobicContact CB-CB 4.03Å; L105-L148 HydrophobicContact CD2-CD1 3.71Å; L105-L148 PolarHBondContact N-O 3.14Å; L105-L150 HydrophobicContact CB-CD1 4.25Å; L105-L150 HydrophobicContact CD1-CD1 4.12Å; L105-I210 HydrophobicContact CD2-CG2 3.67Å; L105-M214 HydrophobicContact CD1-CG 4.28Å; L105-M214 HydrophobicContact CD1-SD 4.15Å; L105-M214 HydrophobicContact CD2-CG 4.01Å; L105-M214 HydrophobicContact CD2-SD 3.89Å
106	Y	96.4	Very high	96.3	Very high	80 Å²	80	53 Å²	53	31%	0.314	28%	0.281	S	S	.	.	H	α-helix	trans	-62	-47	176.4	178.6	-104.7	0	0	0	112.5	D104 K110 P145	D104-Y106 PolarHBondContact O-N 3.47Å; D104-Y106 VanDerWaalsContact OD1-CB 3.32Å; D104-Y106 WeakPolarHBondContact OD1-CB 3.42Å; D104-Y106 PolarHBondContact OD1-N 3.21Å; Y106-K110 HydrophobicContact CE1-CD 4.15Å; Y106-K110 VanDerWaalsContact CZ-NZ 3.3Å; Y106-K110 PolarHBondContact O-N 3.29Å; Y106-K110 WeakPolarHBondContact OH-CE 3.24Å; Y106-K110 PolarHBondContact OH-NZ 2.97Å; Y106-P145 PolarHBondContact N-O 2.69Å
107	K	95.8	Very high	96.3	Very high	104 Å²	104	59.5 Å²	59.5	45%	0.452	31%	0.311	S	S	.	.	H	α-helix	trans	-64.6	-39.4	175	-73.5	174.7	-171.5	136.6	0	111.8	T103 D104 K110 T111	T103-K107 WeakPolarHBondContact OG1-CB 3.36Å; D104-K107 PolarHBondContact O-N 3.13Å; D104-K107 WeakPolarHBondContact OD1-CG 3.34Å; D104-K107 PolarHBondContact OD1-N 3.03Å; D104-K107 VanDerWaalsContact OD2-CD 3.25Å; D104-K107 WeakPolarHBondContact OD2-CD 3.37Å; D104-K107 WeakPolarHBondContact OD2-CE 3.41Å; D104-K107 IonicContact OD2-NZ 2.9Å; D104-K107 PolarHBondContact OD2-NZ 2.75Å; K107-K110 PolarHBondContact O-N 3.5Å; K107-T111 PolarHBondContact O-OG1 2.82Å
108	L	97.3	Very high	96.4	Very high	21 Å²	21	63.3 Å²	63.3	11%	0.11	33%	0.329	C	S	.	.	H	α-helix	trans	-61.2	-50.4	177.5	-176.5	62	0	0	0	111.2	D104 L105 K110 T111 Q112 L114 F122 L150	D104-L108 PolarHBondContact O-N 3.43Å; L105-L108 HydrophobicContact CD1-CD2 4.38Å; L105-L108 PolarHBondContact O-N 2.79Å; L108-K110 PolarHBondContact O-N 2.86Å; L108-T111 PolarHBondContact O-N 3.16Å; L108-T111 PolarHBondContact O-OG1 3.16Å; L108-T111 VanDerWaalsContact O-OG1 3.08Å; L108-Q112 HydrophobicContact CD1-CB 4.11Å; L108-Q112 HydrophobicContact CD1-CG 4.17Å; L108-Q112 PolarHBondContact O-N 3.01Å; L108-L114 HydrophobicContact CD2-CD2 3.74Å; L108-L114 HydrophobicContact CG-CD2 4.03Å; L108-F122 HydrophobicContact CD2-CE2 3.72Å; L108-F122 HydrophobicContact CD2-CZ 3.99Å; L108-L150 HydrophobicContact CB-CD1 4.31Å; L108-L150 HydrophobicContact CD2-CD1 3.47Å; L108-L150 VanDerWaalsContact CD2-CD1 3.47Å
109	L	97.7	Very high	96.5	Very high	4 Å²	4	62.7 Å²	62.7	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-64.4	-23.6	-179.1	-66.8	176.3	0	0	0	113.6	L105 T111 L114 E213 M214 R217	L105-L109 HydrophobicContact CD1-CD1 4.24Å; L105-L109 HydrophobicContact CD1-CD2 4.44Å; L105-L109 HydrophobicContact CD1-CG 4.08Å; L105-L109 HydrophobicContact CD2-CD1 4.4Å; L105-L109 HydrophobicContact CG-CD1 3.9Å; L105-L109 HydrophobicContact CG-CG 4.17Å; L105-L109 WeakPolarHBondContact O-CB 3.41Å; L105-L109 VanDerWaalsContact O-CG 3.25Å; L105-L109 WeakPolarHBondContact O-CG 3.11Å; L105-L109 PolarHBondContact O-N 3.41Å; L109-T111 VanDerWaalsContact C-N 3.3Å; L109-T111 PolarHBondContact O-N 3.07Å; L109-L114 HydrophobicContact CD2-CD1 3.64Å; L109-L114 HydrophobicContact CD2-CG 3.88Å; L109-E213 HydrophobicContact CD1-CG 3.92Å; L109-M214 HydrophobicContact CD1-CG 4.15Å; L109-M214 HydrophobicContact CD2-CB 4.49Å; L109-M214 HydrophobicContact CD2-CG 4.3Å; L109-R217 HydrophobicContact CD2-CG 4.32Å; L109-R217 WeakPolarHBondContact O-CB 3.44Å; L109-R217 VanDerWaalsContact O-CD 3.29Å; L109-R217 WeakPolarHBondContact O-CD 3.43Å
110	K	96.6	Very high	96.6	Very high	132 Å²	132	61.7 Å²	61.7	57%	0.574	32%	0.321	S	S	*	.	H	α-helix	trans	-69.5	-26.9	171.6	-80	-174.3	173.9	177.9	0	113.9	Y106 K107 L108	Y106-K110 HydrophobicContact CE1-CD 4.15Å; Y106-K110 VanDerWaalsContact CZ-NZ 3.3Å; Y106-K110 PolarHBondContact O-N 3.29Å; Y106-K110 WeakPolarHBondContact OH-CE 3.24Å; Y106-K110 PolarHBondContact OH-NZ 2.97Å; K107-K110 PolarHBondContact O-N 3.5Å; L108-K110 PolarHBondContact O-N 2.86Å
111	T	95.6	Very high	96.6	Very high	102 Å²	102	62.9 Å²	62.9	63%	0.626	32%	0.323	S	S	*	.	H	α-helix	trans	-112.7	-27.6	-167.4	55.6	0	0	0	0	113	K107 L108 L109	K107-T111 PolarHBondContact O-OG1 2.82Å; L108-T111 PolarHBondContact O-N 3.16Å; L108-T111 PolarHBondContact O-OG1 3.16Å; L108-T111 VanDerWaalsContact O-OG1 3.08Å; L109-T111 VanDerWaalsContact C-N 3.3Å; L109-T111 PolarHBondContact O-N 3.07Å
112	Q	94.4	Very high	96.7	Very high	113 Å²	113	62.2 Å²	62.2	53%	0.528	32%	0.319	S	S	.	.			trans	-135.8	144.4	-171	-60.1	-176.5	10.2	0	0	111.8	L108 R217	L108-Q112 HydrophobicContact CD1-CB 4.11Å; L108-Q112 HydrophobicContact CD1-CG 4.17Å; L108-Q112 PolarHBondContact O-N 3.01Å; Q112-R217 WeakPolarHBondContact O-CD 3.48Å
113	E	95.8	Very high	96.9	Very high	150 Å²	150	56.9 Å²	56.9	70%	0.701	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-87.7	128.2	165.8	-172.4	169.4	164.7	0	0	109.2
114	L	96.7	Very high	97	Very high	21 Å²	21	55.5 Å²	55.5	11%	0.11	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-82	137.9	-177.8	-57.2	-175.7	0	0	0	109.8	L105 L108 L109 H118 T119 F122 M214	L105-L114 HydrophobicContact CD1-CD1 4.29Å; L108-L114 HydrophobicContact CD2-CD2 3.74Å; L108-L114 HydrophobicContact CG-CD2 4.03Å; L109-L114 HydrophobicContact CD2-CD1 3.64Å; L109-L114 HydrophobicContact CD2-CG 3.88Å; L114-H118 HydrophobicContact CB-CB 4.42Å; L114-T119 WeakPolarHBondContact CB-OG1 3.34Å; L114-F122 HydrophobicContact CD1-CD2 3.9Å; L114-F122 HydrophobicContact CD1-CE2 4.07Å; L114-F122 HydrophobicContact CD2-CE2 4.05Å; L114-M214 HydrophobicContact CD1-CB 4.1Å; L114-M214 HydrophobicContact CD1-CG 4.02Å; L114-M214 HydrophobicContact CD1-SD 4.18Å
115	S	96.2	Very high	97.1	Very high	53 Å²	53	55.1 Å²	55.1	37%	0.371	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-65.6	160.5	166	69.2	0	0	0	0	109.9	E117 H118 T119	S115-E117 PolarHBondContact O-N 3.21Å; S115-H118 PolarHBondContact O-N 3.29Å; S115-H118 PolarHBondContact OG-N 2.9Å; S115-H118 PolarHBondContact OG-ND1 2.95Å; S115-T119 WeakPolarHBondContact O-CB 3.34Å; S115-T119 PolarHBondContact O-N 3.1Å; S115-T119 PolarHBondContact O-OG1 3.03Å
116	G	95.7	Very high	97.2	Very high	56 Å²	56	55.2 Å²	55.2	58%	0.577	28%	0.279	S	S	*	.	H	α-helix	trans	-57.1	-35.9	173.9	0	0	0	0	0	112.4	T119 C120	G116-T119 PolarHBondContact O-N 3.32Å; G116-C120 VanDerWaalsContact O-CB 3.3Å; G116-C120 WeakPolarHBondContact O-CB 3.34Å; G116-C120 PolarHBondContact O-N 2.9Å
117	E	96.3	Very high	97.3	Very high	135 Å²	135	51.4 Å²	51.4	63%	0.631	26%	0.264	S	S	*	.	H	α-helix	trans	-65.6	-49.3	176.5	-174.1	178.1	-165.4	0	0	112.7	S115 T119 C120 Y121	S115-E117 PolarHBondContact O-N 3.21Å; E117-T119 VanDerWaalsContact C-N 3.31Å; E117-T119 PolarHBondContact O-N 3.18Å; E117-C120 PolarHBondContact O-N 3.22Å; E117-Y121 WeakPolarHBondContact O-CB 3.47Å; E117-Y121 PolarHBondContact O-N 3.19Å
118	H	97.6	Very high	97.4	Very high	81 Å²	81	46.9 Å²	46.9	38%	0.375	24%	0.244	S	C	.	.	H	α-helix	trans	-62.1	-40.4	175.5	-72.3	113	0	0	0	111.6	L114 S115 Y121 F122	L114-H118 HydrophobicContact CB-CB 4.42Å; S115-H118 PolarHBondContact O-N 3.29Å; S115-H118 PolarHBondContact OG-N 2.9Å; S115-H118 PolarHBondContact OG-ND1 2.95Å; H118-Y121 PolarHBondContact O-N 3.02Å; H118-F122 HydrophobicContact CB-CE2 4.19Å; H118-F122 WeakPolarHBondContact O-CB 3.41Å; H118-F122 VanDerWaalsContact O-CD2 3.24Å; H118-F122 WeakPolarHBondContact O-CD2 3.33Å; H118-F122 VanDerWaalsContact O-CG 3.3Å; H118-F122 WeakPolarHBondContact O-CG 3.38Å; H118-F122 PolarHBondContact O-N 3.39Å
119	T	98.2	Very high	97.5	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.018	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-47.2	176.6	-57.6	0	0	0	0	111	L114 S115 G116 E117 L123 F211 M214 L215	L114-T119 WeakPolarHBondContact CB-OG1 3.34Å; S115-T119 WeakPolarHBondContact O-CB 3.34Å; S115-T119 PolarHBondContact O-N 3.1Å; S115-T119 PolarHBondContact O-OG1 3.03Å; G116-T119 PolarHBondContact O-N 3.32Å; E117-T119 VanDerWaalsContact C-N 3.31Å; E117-T119 PolarHBondContact O-N 3.18Å; T119-L123 VanDerWaalsContact O-CB 3.23Å; T119-L123 WeakPolarHBondContact O-CB 3.37Å; T119-L123 PolarHBondContact O-N 3.04Å; T119-F211 HydrophobicContact CG2-CD2 3.97Å; T119-F211 HydrophobicContact CG2-CE2 3.77Å; T119-M214 HydrophobicContact CG2-CB 3.87Å; T119-M214 HydrophobicContact CG2-CE 4.2Å; T119-M214 HydrophobicContact CG2-SD 4.45Å; T119-L215 HydrophobicContact CG2-CD2 4.2Å
120	C	98.2	Very high	97.5	Very high	13 Å²	13	45.7 Å²	45.7	9%	0.088	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-45.3	177.6	-173.9	0	0	0	0	111.1	G116 E117 L123 Y124 Y305 Y309	G116-C120 VanDerWaalsContact O-CB 3.3Å; G116-C120 WeakPolarHBondContact O-CB 3.34Å; G116-C120 PolarHBondContact O-N 2.9Å; E117-C120 PolarHBondContact O-N 3.22Å; C120-L123 PolarHBondContact O-N 2.98Å; C120-Y124 WeakPolarHBondContact O-CB 3.46Å; C120-Y124 PolarHBondContact O-N 3.18Å; C120-Y305 HydrophobicContact CB-CE1 3.88Å; C120-Y305 PolarHBondContact SG-O 2.84Å; C120-Y309 HydrophobicContact CB-CE2 4.17Å
121	Y	98.1	Very high	97.6	Very high	67 Å²	67	40.5 Å²	40.5	26%	0.263	22%	0.216	S	C	.	.	H	α-helix	trans	-66.2	-45.9	-178.9	-173.2	-127.8	0	0	0	112.9	E117 H118 Y124 Q125 C154 Y309	E117-Y121 WeakPolarHBondContact O-CB 3.47Å; E117-Y121 PolarHBondContact O-N 3.19Å; H118-Y121 PolarHBondContact O-N 3.02Å; Y121-Y124 PolarHBondContact O-N 3.08Å; Y121-Q125 HydrophobicContact CE2-CG 4.32Å; Y121-Q125 WeakPolarHBondContact O-CG 3.32Å; Y121-Q125 PolarHBondContact O-N 2.98Å; Y121-Q125 VanDerWaalsContact O-N 3.07Å; Y121-C154 HydrophobicContact CD1-CB 4.23Å; Y121-C154 HydrophobicContact CE1-CB 4.13Å; Y121-C154 WeakPolarHBondContact CE1-O 3.25Å; Y121-Y309 HydrophobicContact CD2-CD1 4.08Å; Y121-Y309 AromaticContact CD2-CE1 3.67Å; Y121-Y309 HydrophobicContact CD2-CE1 3.67Å; Y121-Y309 AromaticContact CD2-CZ 3.92Å; Y121-Y309 HydrophobicContact CE2-CE1 4.27Å; Y121-Y309 HydrophobicContact CG-CE1 4.47Å
122	F	98.6	Very high	97.7	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.013	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-43.7	174.9	-65.9	-35.5	0	0	0	111.7	L105 L108 L114 H118 Y124 Q125 V126 L150 C154 L156 M214	L105-F122 HydrophobicContact CD1-CD2 4.21Å; L108-F122 HydrophobicContact CD2-CE2 3.72Å; L108-F122 HydrophobicContact CD2-CZ 3.99Å; L114-F122 HydrophobicContact CD1-CD2 3.9Å; L114-F122 HydrophobicContact CD1-CE2 4.07Å; L114-F122 HydrophobicContact CD2-CE2 4.05Å; H118-F122 HydrophobicContact CB-CE2 4.19Å; H118-F122 WeakPolarHBondContact O-CB 3.41Å; H118-F122 VanDerWaalsContact O-CD2 3.24Å; H118-F122 WeakPolarHBondContact O-CD2 3.33Å; H118-F122 VanDerWaalsContact O-CG 3.3Å; H118-F122 WeakPolarHBondContact O-CG 3.38Å; H118-F122 PolarHBondContact O-N 3.39Å; F122-Y124 VanDerWaalsContact C-N 3.34Å; F122-Y124 PolarHBondContact O-N 3.27Å; F122-Q125 PolarHBondContact O-N 3.43Å; F122-V126 WeakPolarHBondContact O-CG2 3.18Å; F122-V126 PolarHBondContact O-N 2.84Å; F122-L150 HydrophobicContact CD1-CD2 3.74Å; F122-L150 HydrophobicContact CE1-CD1 4.22Å; F122-L150 HydrophobicContact CE1-CD2 3.55Å; F122-L150 HydrophobicContact CE1-CG 4.49Å; F122-L150 HydrophobicContact CE2-CD1 4.33Å; F122-L150 HydrophobicContact CZ-CD1 4Å; F122-L150 HydrophobicContact CZ-CD2 4.18Å; F122-C154 HydrophobicContact CE1-CB 3.66Å; F122-C154 WeakPolarHBondContact CE1-O 3.33Å; F122-C154 HydrophobicContact CZ-CB 4.09Å; F122-L156 HydrophobicContact CB-CD1 4.29Å; F122-M214 HydrophobicContact CB-SD 4.02Å; F122-M214 HydrophobicContact CD2-SD 4.46Å
123	L	98.8	Very high	97.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.1	-41.6	179	-172.8	63.9	0	0	0	112	T119 C120 V126 L127 V207 F211 M214 L282 Y305 F306	T119-L123 VanDerWaalsContact O-CB 3.23Å; T119-L123 WeakPolarHBondContact O-CB 3.37Å; T119-L123 PolarHBondContact O-N 3.04Å; C120-L123 PolarHBondContact O-N 2.98Å; L123-V126 PolarHBondContact O-N 3.06Å; L123-L127 HydrophobicContact CG-CD1 4.24Å; L123-L127 WeakPolarHBondContact O-CG 3.43Å; L123-L127 PolarHBondContact O-N 3.39Å; L123-V207 HydrophobicContact CD1-CG1 3.49Å; L123-V207 VanDerWaalsContact CD1-CG1 3.49Å; L123-F211 HydrophobicContact CD1-CB 3.97Å; L123-F211 HydrophobicContact CD1-CG 4.3Å; L123-F211 HydrophobicContact CD2-CB 4.21Å; L123-F211 HydrophobicContact CD2-CD1 3.84Å; L123-F211 HydrophobicContact CD2-CD2 3.6Å; L123-F211 HydrophobicContact CD2-CE1 3.99Å; L123-F211 HydrophobicContact CD2-CE2 3.74Å; L123-F211 HydrophobicContact CD2-CG 3.62Å; L123-F211 HydrophobicContact CD2-CZ 3.91Å; L123-M214 HydrophobicContact CB-CE 3.89Å; L123-M214 HydrophobicContact CD1-CE 4.04Å; L123-M214 HydrophobicContact CG-CE 4.49Å; L123-L282 HydrophobicContact CD2-CD2 3.79Å; L123-Y305 HydrophobicContact CD2-CD1 4.4Å; L123-Y305 HydrophobicContact CD2-CE1 3.96Å; L123-F306 HydrophobicContact CB-CE1 4.05Å; L123-F306 HydrophobicContact CB-CZ 4.22Å; L123-F306 HydrophobicContact CD2-CE1 4.05Å; L123-F306 HydrophobicContact CD2-CZ 3.57Å; L123-F306 HydrophobicContact CG-CE1 4.03Å; L123-F306 HydrophobicContact CG-CZ 3.68Å
124	Y	98.7	Very high	98	Very high	14 Å²	14	24 Å²	24	6%	0.055	13%	0.131	C	C	.	.	H	α-helix	trans	-57.1	-49.7	174.3	174.4	-105.4	0	0	0	110.9	C120 Y121 F122 V126 L127 R128 L301 F306 Y309	C120-Y124 WeakPolarHBondContact O-CB 3.46Å; C120-Y124 PolarHBondContact O-N 3.18Å; Y121-Y124 PolarHBondContact O-N 3.08Å; F122-Y124 VanDerWaalsContact C-N 3.34Å; F122-Y124 PolarHBondContact O-N 3.27Å; Y124-V126 VanDerWaalsContact C-N 3.34Å; Y124-V126 PolarHBondContact O-N 2.89Å; Y124-L127 PolarHBondContact O-N 3.44Å; Y124-R128 VanDerWaalsContact O-CB 3.31Å; Y124-R128 WeakPolarHBondContact O-CB 3.25Å; Y124-R128 PolarHBondContact O-N 3.17Å; Y124-L301 HydrophobicContact CD2-CD2 3.72Å; Y124-L301 HydrophobicContact CE2-CD2 3.73Å; Y124-F306 HydrophobicContact CD2-CB 4.43Å; Y124-F306 HydrophobicContact CD2-CD1 4.26Å; Y124-F306 HydrophobicContact CD2-CG 4.39Å; Y124-Y309 HydrophobicContact CD1-CG 4.45Å; Y124-Y309 HydrophobicContact CG-CG 4.43Å; Y124-Y309 VanDerWaalsContact CZ-O 3.26Å; Y124-Y309 PolarHBondContact OH-O 3.38Å
125	Q	98.7	Very high	98	Very high	6 Å²	6	24.5 Å²	24.5	3%	0.028	14%	0.136	C	C	.	.	H	α-helix	trans	-62.1	-38	178.7	-72	-175.8	81.9	0	0	113.2	N74 Y121 F122 G129 C154 L156	N74-Q125 WeakPolarHBondContact CB-O 3.28Å; N74-Q125 WeakPolarHBondContact ND2-CB 3.32Å; N74-Q125 WeakPolarHBondContact ND2-CG 3.39Å; N74-Q125 PolarHBondContact ND2-OE1 3.47Å; Y121-Q125 HydrophobicContact CE2-CG 4.32Å; Y121-Q125 WeakPolarHBondContact O-CG 3.32Å; Y121-Q125 PolarHBondContact O-N 2.98Å; Y121-Q125 VanDerWaalsContact O-N 3.07Å; F122-Q125 PolarHBondContact O-N 3.43Å; Q125-G129 PolarHBondContact O-N 3.27Å; Q125-C154 PolarHBondContact NE2-O 2.91Å; Q125-L156 HydrophobicContact CB-CB 3.93Å; Q125-L156 HydrophobicContact CB-CD2 4.33Å
126	V	98.9	Very high	98	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-62.2	-49.3	173.7	174.1	0	0	0	0	110.7	F122 L123 Y124 G129 L130 L148 L156 V207	F122-V126 WeakPolarHBondContact O-CG2 3.18Å; F122-V126 PolarHBondContact O-N 2.84Å; L123-V126 PolarHBondContact O-N 3.06Å; Y124-V126 VanDerWaalsContact C-N 3.34Å; Y124-V126 PolarHBondContact O-N 2.89Å; V126-G129 PolarHBondContact O-N 2.9Å; V126-L130 VanDerWaalsContact O-CB 3.25Å; V126-L130 WeakPolarHBondContact O-CB 3.34Å; V126-L130 PolarHBondContact O-N 3.15Å; V126-L148 HydrophobicContact CG2-CD1 3.68Å; V126-L148 HydrophobicContact CG2-CD2 3.99Å; V126-L148 HydrophobicContact CG2-CG 4.43Å; V126-L156 HydrophobicContact CG2-CD1 3.53Å; V126-L156 HydrophobicContact CG2-CD2 3.86Å; V126-L156 HydrophobicContact CG2-CG 4.39Å; V126-V207 HydrophobicContact CG1-CG1 4.31Å; V126-V207 HydrophobicContact CG1-CG2 3.76Å
127	L	98.8	Very high	97.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.5	-39.4	-179.1	-72.9	170	0	0	0	111.9	L123 Y124 L130 K131 V207 V297 A300 L301 F306	L123-L127 HydrophobicContact CG-CD1 4.24Å; L123-L127 WeakPolarHBondContact O-CG 3.43Å; L123-L127 PolarHBondContact O-N 3.39Å; Y124-L127 PolarHBondContact O-N 3.44Å; L127-L130 CarbonylContact O-C 3.54Å; L127-L130 PolarHBondContact O-N 3.21Å; L127-K131 PolarHBondContact O-N 2.89Å; L127-V207 HydrophobicContact CD2-CG1 3.91Å; L127-V207 HydrophobicContact CG-CG1 4.25Å; L127-V297 HydrophobicContact CB-CG2 4.32Å; L127-V297 HydrophobicContact CD2-CG2 4.07Å; L127-V297 WeakPolarHBondContact O-CG2 3.44Å; L127-A300 HydrophobicContact CD1-CB 3.96Å; L127-A300 HydrophobicContact CD2-CB 4.06Å; L127-L301 HydrophobicContact CB-CD2 3.65Å; L127-L301 HydrophobicContact CB-CG 3.91Å; L127-F306 HydrophobicContact CD1-CE2 3.49Å; L127-F306 VanDerWaalsContact CD1-CE2 3.49Å; L127-F306 HydrophobicContact CD1-CZ 3.45Å; L127-F306 VanDerWaalsContact CD1-CZ 3.45Å
128	R	98.5	Very high	97.9	Very high	10 Å²	10	14.9 Å²	14.9	4%	0.038	7%	0.072	C	C	.	.	H	α-helix	trans	-61	-49.3	175.4	-175	-179.5	175.6	-104.2	7.3	111.3	E73 N74 Y124 L130 K131 Y132 L301 D314 E315	E73-R128 IonicContact OE2-CZ 3.58Å; E73-R128 VanDerWaalsContact OE2-CZ 3.27Å; E73-R128 IonicContact OE2-NH1 3.01Å; E73-R128 PolarHBondContact OE2-NH1 3.38Å; E73-R128 IonicContact OE2-NH2 3.96Å; E73-R128 PolarHBondContact OE2-NH2 3.48Å; N74-R128 WeakPolarHBondContact OD1-CD 3.37Å; N74-R128 PolarHBondContact OD1-NH1 3.04Å; Y124-R128 VanDerWaalsContact O-CB 3.31Å; Y124-R128 WeakPolarHBondContact O-CB 3.25Å; Y124-R128 PolarHBondContact O-N 3.17Å; R128-L130 VanDerWaalsContact C-N 3.3Å; R128-L130 PolarHBondContact O-N 2.76Å; R128-K131 WeakPolarHBondContact O-CB 3.35Å; R128-K131 PolarHBondContact O-N 2.7Å; R128-Y132 PolarHBondContact O-N 2.97Å; R128-L301 HydrophobicContact CB-CD2 4.49Å; R128-D314 IonicContact CZ-OD1 3.18Å; R128-D314 PolarHBondContact NE-O 3.02Å; R128-D314 IonicContact NE-OD2 3.75Å; R128-D314 PolarHBondContact NH2-O 3.3Å; R128-D314 IonicContact NH2-OD1 3.72Å; R128-D314 PolarHBondContact NH2-OD1 3.4Å; R128-D314 IonicContact NH2-OD2 2.9Å; R128-E315 HydrophobicContact CG-CG 4.31Å
129	G	98.6	Very high	97.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.5	-40.7	172.5	0	0	0	0	0	112.6	Q125 V126 Y132 I133	Q125-G129 PolarHBondContact O-N 3.27Å; V126-G129 PolarHBondContact O-N 2.9Å; G129-Y132 WeakPolarHBondContact O-CB 3.09Å; G129-Y132 PolarHBondContact O-N 2.92Å; G129-I133 VanDerWaalsContact O-CG1 3.31Å; G129-I133 WeakPolarHBondContact O-CG1 3.36Å; G129-I133 PolarHBondContact O-N 2.67Å
130	L	98.6	Very high	97.5	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-67.7	-36.4	179.1	-170	58.5	0	0	0	112.8	V126 L127 R128 Y132 I133 H134 L143 D203 I204 V207 V297	V126-L130 VanDerWaalsContact O-CB 3.25Å; V126-L130 WeakPolarHBondContact O-CB 3.34Å; V126-L130 PolarHBondContact O-N 3.15Å; L127-L130 CarbonylContact O-C 3.54Å; L127-L130 PolarHBondContact O-N 3.21Å; R128-L130 VanDerWaalsContact C-N 3.3Å; R128-L130 PolarHBondContact O-N 2.76Å; L130-Y132 VanDerWaalsContact C-N 3.3Å; L130-Y132 PolarHBondContact O-N 3.46Å; L130-I133 HydrophobicContact CD1-CB 4.42Å; L130-I133 HydrophobicContact CD1-CD1 4.46Å; L130-I133 PolarHBondContact O-N 2.8Å; L130-H134 VanDerWaalsContact CD1-NE2 3.33Å; L130-H134 WeakPolarHBondContact CD1-NE2 3.35Å; L130-H134 VanDerWaalsContact O-CB 3.31Å; L130-H134 WeakPolarHBondContact O-CB 3.36Å; L130-H134 PolarHBondContact O-N 2.86Å; L130-L143 HydrophobicContact CD1-CD1 4.01Å; L130-L143 HydrophobicContact CD2-CD1 4.12Å; L130-D203 HydrophobicContact CD1-CB 3.88Å; L130-D203 HydrophobicContact CD2-CB 3.91Å; L130-D203 HydrophobicContact CG-CB 4.47Å; L130-I204 HydrophobicContact CD2-CD1 3.94Å; L130-V207 HydrophobicContact CD2-CG2 3.74Å; L130-V297 HydrophobicContact CB-CG2 4.18Å; L130-V297 HydrophobicContact CG-CG2 4.4Å
131	K	98.5	Very high	97.2	Very high	23 Å²	23	11.7 Å²	11.7	10%	0.1	5%	0.054	C	C	.	.	H	α-helix	trans	-57.9	-45.4	172.9	176.6	179	174.7	-168.5	0	110.4	L127 R128 H134 S135 V297 L301 E315	L127-K131 PolarHBondContact O-N 2.89Å; R128-K131 WeakPolarHBondContact O-CB 3.35Å; R128-K131 PolarHBondContact O-N 2.7Å; K131-H134 PolarHBondContact O-N 2.79Å; K131-S135 VanDerWaalsContact O-CB 3.26Å; K131-S135 WeakPolarHBondContact O-CB 3.45Å; K131-S135 PolarHBondContact O-N 2.93Å; K131-S135 PolarHBondContact O-OG 3.04Å; K131-V297 HydrophobicContact CB-CG1 4.04Å; K131-V297 HydrophobicContact CB-CG2 3.89Å; K131-V297 HydrophobicContact CG-CG1 4.41Å; K131-L301 HydrophobicContact CB-CD1 3.92Å; K131-L301 HydrophobicContact CD-CD1 3.56Å; K131-L301 HydrophobicContact CG-CD1 4.34Å; K131-E315 HydrophobicContact CD-CB 4.07Å; K131-E315 WeakPolarHBondContact CE-O 3.29Å; K131-E315 PolarHBondContact NZ-O 3.23Å; K131-E315 IonicContact NZ-OE2 3.44Å; K131-E315 PolarHBondContact NZ-OE2 3.08Å
132	Y	98.5	Very high	96.9	Very high	16 Å²	16	9 Å²	9	6%	0.063	4%	0.044	C	C	.	.	H	α-helix	trans	-61.1	-49.8	175.1	-169.6	-86.4	0	0	0	111.7	F70 H72 I75 R128 G129 L130 H134 S135 A136 P316 A318	F70-Y132 HydrophobicContact CB-CE1 4.22Å; F70-Y132 HydrophobicContact CD1-CD1 4.26Å; F70-Y132 AromaticContact CD1-CE1 3.66Å; F70-Y132 HydrophobicContact CD1-CE1 3.66Å; F70-Y132 HydrophobicContact CE1-CD1 4.49Å; F70-Y132 HydrophobicContact CE1-CE1 4.2Å; F70-Y132 HydrophobicContact CG-CE1 4.07Å; H72-Y132 HydrophobicContact CB-CD1 3.99Å; H72-Y132 HydrophobicContact CB-CD2 4.2Å; H72-Y132 HydrophobicContact CB-CE1 4.3Å; H72-Y132 HydrophobicContact CB-CE2 4.49Å; H72-Y132 HydrophobicContact CB-CG 3.94Å; H72-Y132 AromaticContact CD2-CD2 3.56Å; H72-Y132 AromaticContact CD2-CG 3.61Å; H72-Y132 AromaticContact CG-CG 3.91Å; I75-Y132 HydrophobicContact CD1-CD1 3.62Å; I75-Y132 HydrophobicContact CD1-CE1 4.39Å; I75-Y132 HydrophobicContact CD1-CG 4.33Å; R128-Y132 PolarHBondContact O-N 2.97Å; G129-Y132 WeakPolarHBondContact O-CB 3.09Å; G129-Y132 PolarHBondContact O-N 2.92Å; L130-Y132 VanDerWaalsContact C-N 3.3Å; L130-Y132 PolarHBondContact O-N 3.46Å; Y132-H134 PolarHBondContact O-N 3.48Å; Y132-S135 WeakPolarHBondContact CA-OG 3.14Å; Y132-S135 PolarHBondContact O-N 2.94Å; Y132-S135 PolarHBondContact O-OG 2.97Å; Y132-A136 PolarHBondContact O-N 3.46Å; Y132-P316 HydrophobicContact CD2-CG 4.49Å; Y132-A318 HydrophobicContact CD1-CB 4.45Å; Y132-A318 HydrophobicContact CE1-CB 4Å; Y132-A318 HydrophobicContact CE2-CB 4.15Å
133	I	98.2	Very high	96.9	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-56.8	-48.3	178.1	-65.5	164.5	0	0	0	111.3	F70 I75 G129 L130 A136 V138 I158 F161	F70-I133 HydrophobicContact CE2-CG1 3.98Å; F70-I133 HydrophobicContact CZ-CG1 4.27Å; F70-I133 HydrophobicContact CZ-CG2 4.46Å; I75-I133 HydrophobicContact CD1-CD1 4.17Å; I75-I133 HydrophobicContact CD1-CG1 3.61Å; I75-I133 HydrophobicContact CG1-CD1 4.42Å; I75-I133 HydrophobicContact CG1-CG1 4.37Å; G129-I133 VanDerWaalsContact O-CG1 3.31Å; G129-I133 WeakPolarHBondContact O-CG1 3.36Å; G129-I133 PolarHBondContact O-N 2.67Å; L130-I133 HydrophobicContact CD1-CB 4.42Å; L130-I133 HydrophobicContact CD1-CD1 4.46Å; L130-I133 PolarHBondContact O-N 2.8Å; I133-A136 WeakPolarHBondContact O-CB 3.36Å; I133-A136 PolarHBondContact O-N 2.99Å; I133-V138 HydrophobicContact CG2-CB 3.86Å; I133-V138 HydrophobicContact CG2-CG1 3.85Å; I133-V138 PolarHBondContact O-N 3.44Å; I133-V138 VanDerWaalsContact O-N 3.14Å; I133-I158 HydrophobicContact CD1-CD1 3.87Å; I133-I158 HydrophobicContact CD1-CG2 4.19Å; I133-F161 HydrophobicContact CD1-CE1 3.75Å; I133-F161 HydrophobicContact CD1-CZ 3.79Å; I133-F161 HydrophobicContact CG1-CE1 4.03Å; I133-F161 HydrophobicContact CG1-CZ 4.27Å; I133-F161 HydrophobicContact CG2-CE1 4.45Å
134	H	97.5	Very high	96.8	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.009	5%	0.05	C	C	.	.	H	α-helix	trans	-66.9	-38.2	-179.5	-78.4	-171.2	0	0	0	112.2	L130 K131 Y132 A136 N137 V138 K200 D203	L130-H134 VanDerWaalsContact CD1-NE2 3.33Å; L130-H134 WeakPolarHBondContact CD1-NE2 3.35Å; L130-H134 VanDerWaalsContact O-CB 3.31Å; L130-H134 WeakPolarHBondContact O-CB 3.36Å; L130-H134 PolarHBondContact O-N 2.86Å; K131-H134 PolarHBondContact O-N 2.79Å; Y132-H134 PolarHBondContact O-N 3.48Å; H134-A136 PolarHBondContact O-N 2.81Å; H134-N137 WeakPolarHBondContact O-CA 3.01Å; H134-N137 PolarHBondContact O-N 3.03Å; H134-V138 PolarHBondContact CD2-O 2.92Å; H134-K200 HydrophobicContact CB-CD 3.78Å; H134-K200 HydrophobicContact CB-CG 4.21Å; H134-K200 VanDerWaalsContact CE1-CB 3.5Å; H134-K200 WeakPolarHBondContact CE1-CB 3.31Å; H134-K200 PolarHBondContact CE1-O 3.43Å; H134-K200 VanDerWaalsContact CE1-O 3.24Å; H134-K200 WeakPolarHBondContact O-CE 3.5Å; H134-K200 PolarHBondContact O-NZ 3.39Å; H134-D203 IonicContact CD2-OD2 2.64Å; H134-D203 IonicContact CE1-OD2 3.82Å; H134-D203 IonicContact NE2-OD2 3.62Å; H134-D203 PolarHBondContact NE2-OD2 3.15Å
135	S	97	Very high	96.7	Very high	31 Å²	31	9.7 Å²	9.7	22%	0.217	5%	0.048	C	C	.	.	H	α-helix	trans	-66.5	-25.4	175.2	72.1	0	0	0	0	112.8	K131 Y132 N137 V317 A318	K131-S135 VanDerWaalsContact O-CB 3.26Å; K131-S135 WeakPolarHBondContact O-CB 3.45Å; K131-S135 PolarHBondContact O-N 2.93Å; K131-S135 PolarHBondContact O-OG 3.04Å; Y132-S135 WeakPolarHBondContact CA-OG 3.14Å; Y132-S135 PolarHBondContact O-N 2.94Å; Y132-S135 PolarHBondContact O-OG 2.97Å; S135-N137 PolarHBondContact O-N 3.33Å; S135-V317 WeakPolarHBondContact OG-CA 3.13Å; S135-V317 WeakPolarHBondContact OG-CB 3.34Å; S135-A318 PolarHBondContact OG-N 2.87Å
136	A	96.1	Very high	96.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	6.2	170.5	0	0	0	0	0	113.7	F70 Y132 I133 H134 V138 A318 P321 F322	F70-A136 HydrophobicContact CE1-CB 3.49Å; F70-A136 VanDerWaalsContact CE1-CB 3.49Å; F70-A136 HydrophobicContact CZ-CB 4.08Å; Y132-A136 PolarHBondContact O-N 3.46Å; I133-A136 WeakPolarHBondContact O-CB 3.36Å; I133-A136 PolarHBondContact O-N 2.99Å; H134-A136 PolarHBondContact O-N 2.81Å; A136-V138 VanDerWaalsContact C-N 3.28Å; A136-V138 HydrophobicContact CB-CG2 4.31Å; A136-V138 PolarHBondContact O-N 3.2Å; A136-A318 HydrophobicContact CB-CB 3.47Å; A136-A318 VanDerWaalsContact CB-CB 3.47Å; A136-P321 CarbonylContact O-C 3.59Å; A136-P321 WeakPolarHBondContact O-CA 3.32Å; A136-F322 HydrophobicContact CB-CD2 4.15Å; A136-F322 HydrophobicContact CB-CE2 4.38Å; A136-F322 PolarHBondContact O-N 3.03Å
137	N	94.3	Very high	96.4	Very high	43 Å²	43	12.1 Å²	12.1	23%	0.23	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	34.3	-173.5	-158	45.9	0	0	0	113.5	H134 S135 V166 N167 P321	H134-N137 WeakPolarHBondContact O-CA 3.01Å; H134-N137 PolarHBondContact O-N 3.03Å; S135-N137 PolarHBondContact O-N 3.33Å; N137-V166 VanDerWaalsContact ND2-CG1 3.34Å; N137-V166 WeakPolarHBondContact ND2-CG1 3.3Å; N137-V166 CarbonylContact O-C 3.54Å; N137-V166 WeakPolarHBondContact O-CA 3.44Å; N137-N167 PolarHBondContact ND2-O 3.05Å; N137-N167 PolarHBondContact O-N 3.42Å; N137-N167 WeakPolarHBondContact OD1-CB 3.22Å; N137-N167 PolarHBondContact OD1-ND2 3.08Å; N137-N167 PolarHBondContact OD1-O 3.22Å; N137-N167 VanDerWaalsContact OD1-O 3.08Å; N137-P321 HydrophobicContact CB-CB 3.82Å
138	V	94.7	Very high	96.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	141.3	177.3	176.5	0	0	0	0	110.4	I66 F70 I133 H134 A136 A164 R165 F322	I66-V138 HydrophobicContact CD1-CG1 4.23Å; F70-V138 HydrophobicContact CZ-CB 4.26Å; F70-V138 HydrophobicContact CZ-CG2 4.09Å; I133-V138 HydrophobicContact CG2-CB 3.86Å; I133-V138 HydrophobicContact CG2-CG1 3.85Å; I133-V138 PolarHBondContact O-N 3.44Å; I133-V138 VanDerWaalsContact O-N 3.14Å; H134-V138 PolarHBondContact CD2-O 2.92Å; A136-V138 VanDerWaalsContact C-N 3.28Å; A136-V138 HydrophobicContact CB-CG2 4.31Å; A136-V138 PolarHBondContact O-N 3.2Å; V138-A164 HydrophobicContact CG1-CB 4.01Å; V138-R165 CarbonylContact C-O 3.53Å; V138-R165 WeakPolarHBondContact CA-O 3.41Å; V138-F322 HydrophobicContact CG2-CB 4.38Å; V138-F322 HydrophobicContact CG2-CD2 3.5Å; V138-F322 HydrophobicContact CG2-CE2 4.09Å; V138-F322 HydrophobicContact CG2-CG 4.15Å
139	L	94	Very high	96.3	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.4	165.7	-53.3	-178.9	0	0	0	108.5	R141 A164 R165 N167 K200 I202 D203	L139-R141 HydrophobicContact CB-CG 3.8Å; L139-A164 CarbonylContact O-C 3.48Å; L139-A164 WeakPolarHBondContact O-CA 3.46Å; L139-A164 VanDerWaalsContact O-CB 3.31Å; L139-A164 WeakPolarHBondContact O-CB 3.5Å; L139-R165 PolarHBondContact N-O 3.38Å; L139-R165 PolarHBondContact O-N 2.83Å; L139-N167 HydrophobicContact CD1-CB 4.3Å; L139-N167 HydrophobicContact CD2-CB 3.81Å; L139-N167 HydrophobicContact CG-CB 3.81Å; L139-K200 HydrophobicContact CD2-CB 4.29Å; L139-K200 HydrophobicContact CD2-CG 3.78Å; L139-I202 HydrophobicContact CD1-CD1 4.35Å; L139-D203 WeakPolarHBondContact CA-OD2 3.38Å
140	H	94.4	Very high	96.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.			trans	-74	-43.7	179.2	-172.1	-75.7	0	0	0	111.7	D142 L143 I158 C159 D160 F161 D203	H140-D142 PolarHBondContact CE1-O 2.86Å; H140-D142 VanDerWaalsContact ND1-C 3.28Å; H140-D142 PolarHBondContact ND1-N 2.89Å; H140-D142 PolarHBondContact O-N 3.15Å; H140-L143 HydrophobicContact CB-CD1 4.44Å; H140-L143 HydrophobicContact CB-CD2 4.27Å; H140-L143 HydrophobicContact CB-CG 3.94Å; H140-L143 PolarHBondContact ND1-N 3.49Å; H140-I158 WeakPolarHBondContact NE2-CG2 3.5Å; H140-C159 PolarHBondContact NE2-O 3.41Å; H140-C159 VanDerWaalsContact NE2-O 3.1Å; H140-D160 PolarHBondContact CE1-O 3.26Å; H140-F161 AromaticContact CD2-CD1 3.89Å; H140-F161 AromaticContact CD2-CE1 3.57Å; H140-F161 AromaticContact CD2-CZ 3.9Å; H140-D203 PolarHBondContact N-OD1 3.16Å; H140-D203 PolarHBondContact N-OD2 3.28Å
141	R	92.2	Very high	96.2	Very high	29 Å²	29	15.4 Å²	15.4	11%	0.109	8%	0.083	C	C	.	.			trans	66.6	-14.6	175.4	-55.9	-173.1	54.9	175.2	-4.5	117.7	L139 R165 I202 D203	L139-R141 HydrophobicContact CB-CG 3.8Å; R141-R165 VanDerWaalsContact NH1-CG 3.35Å; R141-I202 HydrophobicContact CB-CD1 4.47Å; R141-I202 HydrophobicContact CG-CD1 3.78Å; R141-D203 PolarHBondContact N-OD1 3.35Å
142	D	92.2	Very high	96.1	Very high	10 Å²	10	18.6 Å²	18.6	5%	0.053	11%	0.113	C	C	.	.			trans	-132.2	39.7	178.2	-164.1	32.5	0	0	0	112.4	H140 K144 N147 L163	H140-D142 PolarHBondContact CE1-O 2.86Å; H140-D142 VanDerWaalsContact ND1-C 3.28Å; H140-D142 PolarHBondContact ND1-N 2.89Å; H140-D142 PolarHBondContact O-N 3.15Å; D142-K144 PolarHBondContact O-N 3.28Å; D142-K144 IonicContact OD1-NZ 3.62Å; D142-K144 PolarHBondContact OD1-NZ 3.44Å; D142-K144 IonicContact OD2-NZ 3.61Å; D142-K144 PolarHBondContact OD2-NZ 2.93Å; D142-N147 PolarHBondContact O-ND2 3.02Å; D142-N147 PolarHBondContact OD2-ND2 3.18Å; D142-L163 HydrophobicContact CB-CB 4.12Å; D142-L163 HydrophobicContact CB-CD1 3.76Å
143	L	97.1	Very high	96	Very high	1 Å²	1	22 Å²	22	1%	0.005	14%	0.139	C	C	.	.			trans	-68.6	125.8	171.3	-73.6	176.3	0	0	0	109.6	L130 H140 L148 I158 Y186 D203 V207 I210	L130-L143 HydrophobicContact CD1-CD1 4.01Å; L130-L143 HydrophobicContact CD2-CD1 4.12Å; H140-L143 HydrophobicContact CB-CD1 4.44Å; H140-L143 HydrophobicContact CB-CD2 4.27Å; H140-L143 HydrophobicContact CB-CG 3.94Å; H140-L143 PolarHBondContact ND1-N 3.49Å; L143-L148 HydrophobicContact CD2-CD2 4.39Å; L143-I158 HydrophobicContact CD2-CG2 3.82Å; L143-Y186 WeakPolarHBondContact O-CB 3.47Å; L143-D203 HydrophobicContact CD1-CB 3.94Å; L143-V207 HydrophobicContact CD1-CG2 4Å; L143-I210 HydrophobicContact CB-CD1 4.2Å
144	K	96.5	Very high	95.9	Very high	30 Å²	30	23.5 Å²	23.5	13%	0.13	15%	0.149	C	C	.	.			trans	-161.3	160.5	178.1	58.8	-171.6	176.9	-138.7	0	109.1	D142 S146 N147 Y186	D142-K144 PolarHBondContact O-N 3.28Å; D142-K144 IonicContact OD1-NZ 3.62Å; D142-K144 PolarHBondContact OD1-NZ 3.44Å; D142-K144 IonicContact OD2-NZ 3.61Å; D142-K144 PolarHBondContact OD2-NZ 2.93Å; K144-S146 VanDerWaalsContact CE-OG 3.26Å; K144-S146 WeakPolarHBondContact CE-OG 3.41Å; K144-S146 WeakPolarHBondContact CG-OG 3.45Å; K144-S146 PolarHBondContact O-N 2.75Å; K144-S146 VanDerWaalsContact O-N 3.08Å; K144-N147 WeakPolarHBondContact CE-ND2 3.45Å; K144-N147 WeakPolarHBondContact CE-OD1 3.5Å; K144-N147 HydrophobicContact CG-CB 4.12Å; K144-N147 PolarHBondContact O-N 2.68Å; K144-Y186 HydrophobicContact CB-CD2 3.4Å; K144-Y186 VanDerWaalsContact CB-CD2 3.4Å; K144-Y186 HydrophobicContact CB-CE2 3.46Å; K144-Y186 VanDerWaalsContact CB-CE2 3.46Å; K144-Y186 HydrophobicContact CB-CG 4.05Å
145	P	97.5	Very high	95.9	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-57.1	-29.8	-176.1	-26.5	36.3	0	0	0	114.4	L105 Y106 N147 L148 Y186 I210	L105-P145 HydrophobicContact CB-CB 4.07Å; L105-P145 WeakPolarHBondContact CB-O 3.45Å; L105-P145 HydrophobicContact CD2-CB 4.16Å; L105-P145 HydrophobicContact CG-CB 4.11Å; L105-P145 PolarHBondContact N-O 3.5Å; Y106-P145 PolarHBondContact N-O 2.69Å; P145-N147 PolarHBondContact O-N 2.83Å; P145-L148 PolarHBondContact O-N 3.17Å; P145-Y186 VanDerWaalsContact CD-CE1 3.42Å; P145-Y186 WeakPolarHBondContact CD-OH 3.16Å; P145-Y186 HydrophobicContact CG-CE1 3.98Å; P145-I210 HydrophobicContact CG-CG1 4.18Å; P145-I210 HydrophobicContact CG-CG2 4.44Å
146	S	95	Very high	96	Very high	46 Å²	46	25 Å²	25	32%	0.322	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-73.4	-14.2	176.9	66.4	0	0	0	0	114.4	K144	K144-S146 VanDerWaalsContact CE-OG 3.26Å; K144-S146 WeakPolarHBondContact CE-OG 3.41Å; K144-S146 WeakPolarHBondContact CG-OG 3.45Å; K144-S146 PolarHBondContact O-N 2.75Å; K144-S146 VanDerWaalsContact O-N 3.08Å
147	N	96.1	Very high	96.1	Very high	11 Å²	11	26.5 Å²	26.5	6%	0.059	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-102.5	11.1	178.6	-70.3	6.1	0	0	0	111.8	D142 K144 P145 C159	D142-N147 PolarHBondContact O-ND2 3.02Å; D142-N147 PolarHBondContact OD2-ND2 3.18Å; K144-N147 WeakPolarHBondContact CE-ND2 3.45Å; K144-N147 WeakPolarHBondContact CE-OD1 3.5Å; K144-N147 HydrophobicContact CG-CB 4.12Å; K144-N147 PolarHBondContact O-N 2.68Å; P145-N147 PolarHBondContact O-N 2.83Å; N147-C159 PolarHBondContact O-N 2.91Å; N147-C159 PolarHBondContact O-SG 3.4Å
148	L	98.4	Very high	96.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	95.2	175.7	-59.2	-179.6	0	0	0	107.7	D104 L105 V126 L143 P145 L156 I158 I210	D104-L148 CarbonylContact C-O 3.59Å; D104-L148 WeakPolarHBondContact CA-O 3.47Å; L105-L148 HydrophobicContact CB-CB 4.03Å; L105-L148 HydrophobicContact CD2-CD1 3.71Å; L105-L148 PolarHBondContact N-O 3.14Å; V126-L148 HydrophobicContact CG2-CD1 3.68Å; V126-L148 HydrophobicContact CG2-CD2 3.99Å; V126-L148 HydrophobicContact CG2-CG 4.43Å; L143-L148 HydrophobicContact CD2-CD2 4.39Å; P145-L148 PolarHBondContact O-N 3.17Å; L148-L156 HydrophobicContact CB-CD1 4.11Å; L148-L156 HydrophobicContact CB-CG 4.43Å; L148-L156 HydrophobicContact CD1-CD1 4.47Å; L148-L156 HydrophobicContact CD2-CD2 4.28Å; L148-I158 HydrophobicContact CD2-CG1 3.82Å; L148-I210 HydrophobicContact CD1-CD1 4.06Å; L148-I210 HydrophobicContact CD1-CG2 3.9Å
149	L	98.1	Very high	96.4	Very high	38 Å²	38	25.3 Å²	25.3	20%	0.199	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	144.7	-177.7	-55.2	179.2	0	0	0	110.2	I76 M101 T103 D104 L156 K157 C159	I76-L149 HydrophobicContact CD1-CD1 4.2Å; M101-L149 HydrophobicContact CB-CB 3.72Å; M101-L149 HydrophobicContact CB-CD1 4.29Å; M101-L149 HydrophobicContact CE-CB 4.18Å; M101-L149 WeakPolarHBondContact CE-O 3.27Å; M101-L149 HydrophobicContact CG-CB 3.65Å; M101-L149 HydrophobicContact CG-CD1 3.96Å; M101-L149 HydrophobicContact CG-CG 4.45Å; T103-L149 CarbonylContact O-C 3.39Å; T103-L149 WeakPolarHBondContact O-CA 3.31Å; D104-L149 HydrophobicContact CB-CD2 4.19Å; L149-L156 CarbonylContact O-C 3.56Å; L149-L156 VanDerWaalsContact O-CA 3.25Å; L149-L156 WeakPolarHBondContact O-CA 3.44Å; L149-K157 PolarHBondContact N-O 3.06Å; L149-K157 PolarHBondContact O-N 3.18Å; L149-C159 HydrophobicContact CD1-CB 3.96Å; L149-C159 HydrophobicContact CG-CB 4.25Å
150	L	98.2	Very high	96.3	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.3	-176.8	-62	175.3	0	0	0	110.7	D102 T103 L105 L108 F122 D155 L156	D102-L150 PolarHBondContact N-O 3.13Å; T103-L150 HydrophobicContact CG2-CB 3.91Å; T103-L150 PolarHBondContact N-O 3.3Å; T103-L150 PolarHBondContact O-N 3.04Å; L105-L150 HydrophobicContact CB-CD1 4.25Å; L105-L150 HydrophobicContact CD1-CD1 4.12Å; L108-L150 HydrophobicContact CB-CD1 4.31Å; L108-L150 HydrophobicContact CD2-CD1 3.47Å; L108-L150 VanDerWaalsContact CD2-CD1 3.47Å; F122-L150 HydrophobicContact CD1-CD2 3.74Å; F122-L150 HydrophobicContact CE1-CD1 4.22Å; F122-L150 HydrophobicContact CE1-CD2 3.55Å; F122-L150 HydrophobicContact CE1-CG 4.49Å; F122-L150 HydrophobicContact CE2-CD1 4.33Å; F122-L150 HydrophobicContact CZ-CD1 4Å; F122-L150 HydrophobicContact CZ-CD2 4.18Å; L150-D155 WeakPolarHBondContact CA-O 3.4Å; L150-L156 HydrophobicContact CD2-CB 3.7Å; L150-L156 HydrophobicContact CD2-CD1 3.89Å; L150-L156 HydrophobicContact CD2-CG 3.95Å
151	N	96.4	Very high	96.2	Very high	39 Å²	39	26.1 Å²	26.1	21%	0.209	16%	0.16	C	C	.	.			trans	-107.9	175.7	168.9	74.1	10.2	0	0	0	111.8	M101 D102 S153 C154 D155	M101-N151 HydrophobicContact CE-CB 4.11Å; M101-N151 HydrophobicContact SD-CB 4.33Å; D102-N151 VanDerWaalsContact OD2-C 3.32Å; D102-N151 WeakPolarHBondContact OD2-CA 3.49Å; D102-N151 WeakPolarHBondContact OD2-CB 3.38Å; N151-S153 PolarHBondContact O-N 2.98Å; N151-S153 WeakPolarHBondContact OD1-CA 3.49Å; N151-S153 WeakPolarHBondContact OD1-CB 3.2Å; N151-S153 PolarHBondContact OD1-N 2.94Å; N151-C154 PolarHBondContact O-N 2.83Å; N151-C154 PolarHBondContact OD1-N 2.91Å; N151-C154 VanDerWaalsContact OD1-N 3.12Å; N151-D155 PolarHBondContact N-O 3.03Å; N151-D155 VanDerWaalsContact N-O 3.15Å; N151-D155 WeakPolarHBondContact ND2-CB 3.36Å; N151-D155 PolarHBondContact ND2-OD2 3.28Å; N151-D155 PolarHBondContact OD1-N 2.91Å; N151-D155 PolarHBondContact OD1-OD2 3.3Å
152	A	95	Very high	95.9	Very high	90 Å²	90	24.8 Å²	24.8	74%	0.744	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.9	178.6	0	0	0	0	0	114	D102 C154	D102-A152 PolarHBondContact OD2-N 3.25Å; A152-C154 PolarHBondContact O-N 3.4Å
153	S	96.5	Very high	95.7	Very high	88 Å²	88	25.4 Å²	25.4	62%	0.615	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	2.6	174.5	-55.7	0	0	0	0	113.3	N151 D155	N151-S153 PolarHBondContact O-N 2.98Å; N151-S153 WeakPolarHBondContact OD1-CA 3.49Å; N151-S153 WeakPolarHBondContact OD1-CB 3.2Å; N151-S153 PolarHBondContact OD1-N 2.94Å; S153-D155 PolarHBondContact O-N 2.95Å
154	C	96.9	Very high	95.4	Very high	31 Å²	31	25.3 Å²	25.3	21%	0.209	16%	0.159	C	C	.	.			trans	65.3	19.1	-173.6	-62.7	0	0	0	0	114.7	Y121 F122 Q125 N151 A152	Y121-C154 HydrophobicContact CD1-CB 4.23Å; Y121-C154 HydrophobicContact CE1-CB 4.13Å; Y121-C154 WeakPolarHBondContact CE1-O 3.25Å; F122-C154 HydrophobicContact CE1-CB 3.66Å; F122-C154 WeakPolarHBondContact CE1-O 3.33Å; F122-C154 HydrophobicContact CZ-CB 4.09Å; Q125-C154 PolarHBondContact NE2-O 2.91Å; N151-C154 PolarHBondContact O-N 2.83Å; N151-C154 PolarHBondContact OD1-N 2.91Å; N151-C154 VanDerWaalsContact OD1-N 3.12Å; A152-C154 PolarHBondContact O-N 3.4Å
155	D	98.2	Very high	95.1	Very high	63 Å²	63	24.3 Å²	24.3	34%	0.337	15%	0.154	S	C	.	.			trans	-72.4	135.2	168.9	-53.6	-50.3	0	0	0	109.4	M101 L150 N151 S153	M101-D155 VanDerWaalsContact CE-O 3.31Å; M101-D155 WeakPolarHBondContact CE-O 3.25Å; L150-D155 WeakPolarHBondContact CA-O 3.4Å; N151-D155 PolarHBondContact N-O 3.03Å; N151-D155 VanDerWaalsContact N-O 3.15Å; N151-D155 WeakPolarHBondContact ND2-CB 3.36Å; N151-D155 PolarHBondContact ND2-OD2 3.28Å; N151-D155 PolarHBondContact OD1-N 2.91Å; N151-D155 PolarHBondContact OD1-OD2 3.3Å; S153-D155 PolarHBondContact O-N 2.95Å
156	L	98.6	Very high	94.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.5	-178.2	-179.9	152.2	0	0	0	110.8	N74 F122 Q125 V126 L148 L149 L150 I158	N74-L156 WeakPolarHBondContact CA-O 3.48Å; N74-L156 WeakPolarHBondContact CB-O 3.17Å; N74-L156 PolarHBondContact ND2-O 2.62Å; F122-L156 HydrophobicContact CB-CD1 4.29Å; Q125-L156 HydrophobicContact CB-CB 3.93Å; Q125-L156 HydrophobicContact CB-CD2 4.33Å; V126-L156 HydrophobicContact CG2-CD1 3.53Å; V126-L156 HydrophobicContact CG2-CD2 3.86Å; V126-L156 HydrophobicContact CG2-CG 4.39Å; L148-L156 HydrophobicContact CB-CD1 4.11Å; L148-L156 HydrophobicContact CB-CG 4.43Å; L148-L156 HydrophobicContact CD1-CD1 4.47Å; L148-L156 HydrophobicContact CD2-CD2 4.28Å; L149-L156 CarbonylContact O-C 3.56Å; L149-L156 VanDerWaalsContact O-CA 3.25Å; L149-L156 WeakPolarHBondContact O-CA 3.44Å; L150-L156 HydrophobicContact CD2-CB 3.7Å; L150-L156 HydrophobicContact CD2-CD1 3.89Å; L150-L156 HydrophobicContact CD2-CG 3.95Å; L156-I158 HydrophobicContact CD2-CG1 4.17Å
157	K	98.7	Very high	94.2	Very high	33 Å²	33	23.8 Å²	23.8	14%	0.143	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.3	171.3	-70.7	-178.9	178.5	-67.8	0	111.6	E73 I75 I76 M101 L149	E73-K157 WeakPolarHBondContact O-CG 3.27Å; E73-K157 PolarHBondContact O-NZ 3.38Å; I75-K157 PolarHBondContact O-NZ 3.14Å; I76-K157 HydrophobicContact CB-CB 4.48Å; I76-K157 HydrophobicContact CD1-CB 4.5Å; I76-K157 HydrophobicContact CD1-CD 3.92Å; M101-K157 HydrophobicContact CE-CB 4.11Å; M101-K157 HydrophobicContact CE-CD 4.17Å; M101-K157 HydrophobicContact CE-CG 4.02Å; M101-K157 HydrophobicContact SD-CD 3.79Å; M101-K157 HydrophobicContact SD-CG 4.32Å; L149-K157 PolarHBondContact N-O 3.06Å; L149-K157 PolarHBondContact O-N 3.18Å
158	I	98.7	Very high	93.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	133.2	171.3	-59	169.8	0	0	0	109.1	N74 I76 I133 H140 L143 L148 L156 F161	N74-I158 WeakPolarHBondContact O-CG1 3.34Å; N74-I158 PolarHBondContact O-N 2.88Å; I76-I158 WeakPolarHBondContact CG2-O 3.44Å; I76-I158 PolarHBondContact N-O 3.08Å; I133-I158 HydrophobicContact CD1-CD1 3.87Å; I133-I158 HydrophobicContact CD1-CG2 4.19Å; H140-I158 WeakPolarHBondContact NE2-CG2 3.5Å; L143-I158 HydrophobicContact CD2-CG2 3.82Å; L148-I158 HydrophobicContact CD2-CG1 3.82Å; L156-I158 HydrophobicContact CD2-CG1 4.17Å; I158-F161 HydrophobicContact CG2-CE2 4.4Å; I158-F161 HydrophobicContact CG2-CZ 4.04Å
159	C	96	Very high	92.1	Very high	17 Å²	17	29.4 Å²	29.4	12%	0.115	18%	0.184	C	C	.	.			trans	-133.9	177.3	178.1	73.5	0	0	0	0	113	I76 H140 N147 L149	I76-C159 HydrophobicContact CB-CB 4.06Å; I76-C159 HydrophobicContact CG2-CB 3.66Å; H140-C159 PolarHBondContact NE2-O 3.41Å; H140-C159 VanDerWaalsContact NE2-O 3.1Å; N147-C159 PolarHBondContact O-N 2.91Å; N147-C159 PolarHBondContact O-SG 3.4Å; L149-C159 HydrophobicContact CD1-CB 3.96Å; L149-C159 HydrophobicContact CG-CB 4.25Å
160	D	91.3	Very high	90.7	Very high	18 Å²	18	35.9 Å²	35.9	10%	0.096	21%	0.213	C	C	.	.			trans	66.9	70.9	176.7	-164	5.9	0	0	0	114.7	H140 G162	H140-D160 PolarHBondContact CE1-O 3.26Å; D160-G162 VanDerWaalsContact C-N 3.28Å; D160-G162 PolarHBondContact O-N 3.36Å
161	F	92.5	Very high	89.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-87.4	12.5	177.4	-67.9	-95.5	0	0	0	113.4	E63 I66 L67 F70 I75 I133 H140 I158 L163 A164	E63-F161 HydrophobicContact CG-CB 4.5Å; I66-F161 HydrophobicContact CB-CB 4.48Å; I66-F161 HydrophobicContact CD1-CB 4.49Å; I66-F161 HydrophobicContact CG2-CB 4.23Å; I66-F161 HydrophobicContact CG2-CD1 3.72Å; I66-F161 HydrophobicContact CG2-CE1 4.31Å; I66-F161 HydrophobicContact CG2-CG 4.03Å; L67-F161 HydrophobicContact CD1-CD2 4.44Å; L67-F161 HydrophobicContact CD2-CD2 3.38Å; L67-F161 HydrophobicContact CD2-CE2 3.46Å; L67-F161 VanDerWaalsContact CD2-CE2 3.46Å; L67-F161 HydrophobicContact CD2-CG 4.25Å; L67-F161 HydrophobicContact CD2-CZ 4.37Å; L67-F161 HydrophobicContact CG-CD2 3.94Å; L67-F161 HydrophobicContact CG-CE2 4.49Å; F70-F161 HydrophobicContact CD2-CE1 4.29Å; F70-F161 HydrophobicContact CD2-CZ 4.28Å; F70-F161 HydrophobicContact CE2-CD1 4.17Å; F70-F161 AromaticContact CE2-CE1 3.61Å; F70-F161 HydrophobicContact CE2-CE1 3.61Å; F70-F161 HydrophobicContact CE2-CZ 4.03Å; I75-F161 HydrophobicContact CG2-CE2 3.85Å; I75-F161 HydrophobicContact CG2-CZ 3.78Å; I133-F161 HydrophobicContact CD1-CE1 3.75Å; I133-F161 HydrophobicContact CD1-CZ 3.79Å; I133-F161 HydrophobicContact CG1-CE1 4.03Å; I133-F161 HydrophobicContact CG1-CZ 4.27Å; I133-F161 HydrophobicContact CG2-CE1 4.45Å; H140-F161 AromaticContact CD2-CD1 3.89Å; H140-F161 AromaticContact CD2-CE1 3.57Å; H140-F161 AromaticContact CD2-CZ 3.9Å; I158-F161 HydrophobicContact CG2-CE2 4.4Å; I158-F161 HydrophobicContact CG2-CZ 4.04Å; F161-L163 PolarHBondContact O-N 2.73Å; F161-A164 HydrophobicContact CB-CB 4.1Å; F161-A164 HydrophobicContact CD1-CB 4.11Å; F161-A164 VanDerWaalsContact O-CB 3.24Å; F161-A164 WeakPolarHBondContact O-CB 3.46Å; F161-A164 PolarHBondContact O-N 3.38Å
162	G	87.1	Confident	87.6	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.01	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-60.7	-31.2	-177.6	0	0	0	0	0	113.1	R59 R62 D160	R59-G162 WeakPolarHBondContact CG-O 3.43Å; R62-G162 PolarHBondContact NH1-O 2.89Å; D160-G162 VanDerWaalsContact C-N 3.28Å; D160-G162 PolarHBondContact O-N 3.36Å
163	L	87.9	Confident	86.1	Confident	23 Å²	23	38.2 Å²	38.2	12%	0.12	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-94.2	-3.9	177.8	-72.8	178.6	0	0	0	114.4	R59 D142 F161 R165	R59-L163 VanDerWaalsContact CZ-CD2 3.4Å; R59-L163 VanDerWaalsContact NH2-CD2 3.33Å; D142-L163 HydrophobicContact CB-CB 4.12Å; D142-L163 HydrophobicContact CB-CD1 3.76Å; F161-L163 PolarHBondContact O-N 2.73Å; L163-R165 PolarHBondContact O-NH1 3.08Å
164	A	90.9	Very high	84	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.			trans	-60.7	161.4	-178.7	0	0	0	0	0	111.7	R62 I66 V138 L139 F161	R62-A164 WeakPolarHBondContact CD-O 3.44Å; I66-A164 HydrophobicContact CD1-CB 3.55Å; V138-A164 HydrophobicContact CG1-CB 4.01Å; L139-A164 CarbonylContact O-C 3.48Å; L139-A164 WeakPolarHBondContact O-CA 3.46Å; L139-A164 VanDerWaalsContact O-CB 3.31Å; L139-A164 WeakPolarHBondContact O-CB 3.5Å; F161-A164 HydrophobicContact CB-CB 4.1Å; F161-A164 HydrophobicContact CD1-CB 4.11Å; F161-A164 VanDerWaalsContact O-CB 3.24Å; F161-A164 WeakPolarHBondContact O-CB 3.46Å; F161-A164 PolarHBondContact O-N 3.38Å
165	R	88.7	Confident	81.7	Confident	9 Å²	9	39.2 Å²	39.2	3%	0.034	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	154.9	177.4	-73	-54.8	-167.8	-77.9	2.4	112	R62 V138 L139 R141 L163 M176 E327 D329	R62-R165 VanDerWaalsContact CZ-CZ 3.48Å; V138-R165 CarbonylContact C-O 3.53Å; V138-R165 WeakPolarHBondContact CA-O 3.41Å; L139-R165 PolarHBondContact N-O 3.38Å; L139-R165 PolarHBondContact O-N 2.83Å; R141-R165 VanDerWaalsContact NH1-CG 3.35Å; L163-R165 PolarHBondContact O-NH1 3.08Å; R165-M176 PolarHBondContact NH2-SD 3.02Å; R165-M176 VanDerWaalsContact NH2-SD 3.39Å; R165-E327 VanDerWaalsContact CD-CD 3.46Å; R165-E327 WeakPolarHBondContact CD-OE1 3.27Å; R165-E327 IonicContact NE-OE1 2.86Å; R165-E327 PolarHBondContact NE-OE1 3.4Å; R165-D329 IonicContact NE-OD2 2.79Å; R165-D329 IonicContact NH2-OD2 2.91Å
166	V	88.7	Confident	79.5	Confident	10 Å²	10	38.9 Å²	38.9	6%	0.061	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	136.1	166.7	-179.2	0	0	0	0	107.2	N137 D168 H173 F322 E327	N137-V166 VanDerWaalsContact ND2-CG1 3.34Å; N137-V166 WeakPolarHBondContact ND2-CG1 3.3Å; N137-V166 CarbonylContact O-C 3.54Å; N137-V166 WeakPolarHBondContact O-CA 3.44Å; V166-D168 PolarHBondContact O-N 3.21Å; V166-D168 VanDerWaalsContact O-N 3.14Å; V166-H173 PolarHBondContact O-CE1 3.22Å; V166-H173 VanDerWaalsContact O-CE1 3.24Å; V166-H173 PolarHBondContact O-NE2 2.92Å; V166-H173 VanDerWaalsContact O-NE2 3.13Å; V166-F322 HydrophobicContact CG2-CB 3.88Å; V166-E327 WeakPolarHBondContact CB-OE2 3.35Å; V166-E327 HydrophobicContact CG2-CB 4.3Å; V166-E327 PolarHBondContact N-OE2 3.14Å
167	N	85.3	Confident	77.2	Confident	26 Å²	26	40.1 Å²	40.1	14%	0.139	22%	0.224	C	C	.	.			trans	-79.2	94.8	177.5	173.1	68.7	0	0	0	109	N137 L139	N137-N167 PolarHBondContact ND2-O 3.05Å; N137-N167 PolarHBondContact O-N 3.42Å; N137-N167 WeakPolarHBondContact OD1-CB 3.22Å; N137-N167 PolarHBondContact OD1-ND2 3.08Å; N137-N167 PolarHBondContact OD1-O 3.22Å; N137-N167 VanDerWaalsContact OD1-O 3.08Å; L139-N167 HydrophobicContact CD1-CB 4.3Å; L139-N167 HydrophobicContact CD2-CB 3.81Å; L139-N167 HydrophobicContact CG-CB 3.81Å
168	D	79	Confident	74.6	Confident	22 Å²	22	43.2 Å²	43.2	12%	0.118	25%	0.246	C	C	.	.			trans	-112.1	116.5	175.9	-168.3	-27	0	0	0	111.1	V166 E170 H171 F324	V166-D168 PolarHBondContact O-N 3.21Å; V166-D168 VanDerWaalsContact O-N 3.14Å; D168-E170 VanDerWaalsContact C-N 3.28Å; D168-E170 PolarHBondContact O-N 3.21Å; D168-E170 WeakPolarHBondContact OD1-CB 3.33Å; D168-E170 PolarHBondContact OD1-N 3.09Å; D168-H171 HydrophobicContact CB-CB 4.19Å; D168-H171 VanDerWaalsContact CG-ND1 3.35Å; D168-H171 IonicContact OD1-ND1 2.93Å; D168-H171 IonicContact OD2-CE1 2.97Å; D168-H171 IonicContact OD2-CG 3.99Å; D168-H171 IonicContact OD2-ND1 2.79Å; D168-H171 PolarHBondContact OD2-ND1 3.2Å; D168-F324 HydrophobicContact CB-CB 4.49Å; D168-F324 HydrophobicContact CB-CD2 3.81Å; D168-F324 HydrophobicContact CB-CE2 4.47Å; D168-F324 HydrophobicContact CB-CG 4.38Å; D168-F324 WeakPolarHBondContact OD2-CB 3.41Å; D168-F324 WeakPolarHBondContact OD2-CD2 3.41Å; D168-F324 VanDerWaalsContact OD2-CG 3.24Å; D168-F324 WeakPolarHBondContact OD2-CG 3.36Å
169	P	71.5	Confident	72.3	Confident	106 Å²	106	46 Å²	46	69%	0.688	26%	0.259	S	S	*	.	S	Bend	trans	-65.7	-24.9	176.2	-19.5	32.1	0	0	0	114.9	S197	P169-S197 PolarHBondContact O-OG 3.2Å
170	E	68.4	Low	69.9	Low	175 Å²	175	53.9 Å²	53.9	82%	0.818	29%	0.288	S	S	*	.	S	Bend	trans	-88.9	-21.9	-175.3	-60.3	-164.9	159.3	0	0	112.7	D168	D168-E170 VanDerWaalsContact C-N 3.28Å; D168-E170 PolarHBondContact O-N 3.21Å; D168-E170 WeakPolarHBondContact OD1-CB 3.33Å; D168-E170 PolarHBondContact OD1-N 3.09Å
171	H	67.1	Low	67.8	Low	78 Å²	78	60 Å²	60	36%	0.361	33%	0.325	S	S	.	.	S	Bend	trans	-103.8	134.9	-177.1	-70.9	92.3	0	0	0	112.8	D168 S197 F324	D168-H171 HydrophobicContact CB-CB 4.19Å; D168-H171 VanDerWaalsContact CG-ND1 3.35Å; D168-H171 IonicContact OD1-ND1 2.93Å; D168-H171 IonicContact OD2-CE1 2.97Å; D168-H171 IonicContact OD2-CG 3.99Å; D168-H171 IonicContact OD2-ND1 2.79Å; D168-H171 PolarHBondContact OD2-ND1 3.2Å; H171-S197 WeakPolarHBondContact O-CB 3.31Å; H171-S197 PolarHBondContact O-OG 2.56Å; H171-F324 HydrophobicContact CB-CD2 4.35Å; H171-F324 HydrophobicContact CB-CE2 3.67Å; H171-F324 HydrophobicContact CB-CZ 3.8Å; H171-F324 AromaticContact CD2-CE1 3.57Å; H171-F324 AromaticContact CD2-CZ 3.4Å; H171-F324 WeakPolarHBondContact CD2-CZ 3.2Å; H171-F324 AromaticContact CE1-CD1 3.62Å; H171-F324 AromaticContact CE1-CE1 3.41Å; H171-F324 VanDerWaalsContact CE1-CE1 3.41Å; H171-F324 WeakPolarHBondContact CE1-CE1 3.35Å; H171-F324 AromaticContact CE1-CZ 3.93Å; H171-F324 AromaticContact CG-CE1 3.67Å; H171-F324 AromaticContact CG-CE2 3.64Å; H171-F324 AromaticContact CG-CZ 3.33Å; H171-F324 AromaticContact ND1-CD1 3.72Å; H171-F324 AromaticContact ND1-CE1 3.57Å; H171-F324 AromaticContact ND1-CE2 3.92Å; H171-F324 AromaticContact ND1-CG 3.96Å; H171-F324 AromaticContact ND1-CZ 3.67Å; H171-F324 AromaticContact NE2-CE1 3.41Å; H171-F324 WeakPolarHBondContact NE2-CE1 3.41Å; H171-F324 AromaticContact NE2-CZ 3.79Å
172	D	63.3	Low	66.4	Low	90 Å²	90	61.1 Å²	61.1	48%	0.481	34%	0.335	S	S	.	.			trans	-88.4	107.2	177.4	-176.1	10.5	0	0	0	111.4	M174	D172-M174 PolarHBondContact O-N 2.77Å; D172-M174 VanDerWaalsContact OD1-CB 3.24Å; D172-M174 WeakPolarHBondContact OD1-CB 3.48Å; D172-M174 WeakPolarHBondContact OD1-CG 3.37Å; D172-M174 PolarHBondContact OD1-N 3.31Å; D172-M174 WeakPolarHBondContact OD2-CB 3.34Å; D172-M174 WeakPolarHBondContact OD2-CG 3.44Å
173	H	62.3	Low	66	Low	13 Å²	13	63.9 Å²	63.9	6%	0.06	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-82	15.1	176.5	-51.5	-83.7	0	0	0	113.8	V166 G175 E327	V166-H173 PolarHBondContact O-CE1 3.22Å; V166-H173 VanDerWaalsContact O-CE1 3.24Å; V166-H173 PolarHBondContact O-NE2 2.92Å; V166-H173 VanDerWaalsContact O-NE2 3.13Å; H173-G175 VanDerWaalsContact C-N 3.29Å; H173-G175 PolarHBondContact O-N 3.04Å; H173-E327 IonicContact CE1-OE1 3.74Å; H173-E327 PolarHBondContact CE1-OE1 3Å; H173-E327 IonicContact CE1-OE2 3.5Å; H173-E327 PolarHBondContact CE1-OE2 3.37Å; H173-E327 IonicContact ND1-OE1 3.62Å; H173-E327 PolarHBondContact ND1-OE1 3.41Å; H173-E327 IonicContact ND1-OE2 2.68Å
174	M	52.4	Low	66.1	Low	72 Å²	72	64.2 Å²	64.2	36%	0.355	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-56	-37.5	-179	-87.7	-147.1	105.9	0	0	113.8	D172 M176 L177 S195	D172-M174 PolarHBondContact O-N 2.77Å; D172-M174 VanDerWaalsContact OD1-CB 3.24Å; D172-M174 WeakPolarHBondContact OD1-CB 3.48Å; D172-M174 WeakPolarHBondContact OD1-CG 3.37Å; D172-M174 PolarHBondContact OD1-N 3.31Å; D172-M174 WeakPolarHBondContact OD2-CB 3.34Å; D172-M174 WeakPolarHBondContact OD2-CG 3.44Å; M174-M176 PolarHBondContact O-N 2.89Å; M174-L177 PolarHBondContact O-N 3.46Å; M174-S195 VanDerWaalsContact SD-CA 3.5Å
175	G	49.6	Very low	66.4	Low	68 Å²	68	67.6 Å²	67.6	70%	0.701	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-60.3	-16.5	-164.4	0	0	0	0	0	116.9	H173	H173-G175 VanDerWaalsContact C-N 3.29Å; H173-G175 PolarHBondContact O-N 3.04Å
176	M	50.6	Low	66.7	Low	55 Å²	55	67.8 Å²	67.8	27%	0.271	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-112	0.8	-176.9	-79.5	-132.6	-152.9	0	0	115.6	R165 M174 T178	R165-M176 PolarHBondContact NH2-SD 3.02Å; R165-M176 VanDerWaalsContact NH2-SD 3.39Å; M174-M176 PolarHBondContact O-N 2.89Å; M176-T178 PolarHBondContact O-N 2.88Å; M176-T178 VanDerWaalsContact O-N 3.13Å
177	L	50.6	Low	66.9	Low	27 Å²	27	68.3 Å²	68.3	14%	0.141	37%	0.366	C	S	.	.			trans	-71.2	-2.7	177.9	-83.3	164.9	0	0	0	114.6	M174 E179 I191 Y198 Y226	M174-L177 PolarHBondContact O-N 3.46Å; L177-E179 PolarHBondContact O-N 3.48Å; L177-I191 HydrophobicContact CD1-CG2 3.87Å; L177-I191 HydrophobicContact CD2-CG2 3.98Å; L177-Y198 HydrophobicContact CD1-CD2 4.38Å; L177-Y198 HydrophobicContact CD1-CE1 4.38Å; L177-Y198 HydrophobicContact CD1-CE2 3.29Å; L177-Y198 WeakPolarHBondContact CD1-OH 3.42Å; L177-Y198 HydrophobicContact CG-CE2 4.42Å; L177-Y226 PolarHBondContact O-OH 2.88Å
178	T	45	Very low	67.3	Low	98 Å²	98	67.1 Å²	67.1	60%	0.601	36%	0.359	S	S	*	.			trans	-70.6	16.9	-174.5	-19.9	0	0	0	0	114.9	M176 Y180	M176-T178 PolarHBondContact O-N 2.88Å; M176-T178 VanDerWaalsContact O-N 3.13Å; T178-Y180 VanDerWaalsContact C-N 3.34Å; T178-Y180 HydrophobicContact CG2-CD2 4.35Å; T178-Y180 HydrophobicContact CG2-CE2 4.26Å; T178-Y180 PolarHBondContact O-N 3.26Å
179	E	50.5	Low	67.9	Low	57 Å²	57	66 Å²	66	27%	0.266	35%	0.353	S	S	.	.			trans	-73.3	91.5	170.4	-83.2	-169.7	147.2	0	0	111.1	R59 L177 V181	R59-E179 IonicContact CZ-OE1 2.71Å; R59-E179 IonicContact CZ-OE2 3.09Å; R59-E179 IonicContact NH1-OE1 2.87Å; R59-E179 PolarHBondContact NH1-OE1 2.7Å; R59-E179 IonicContact NH1-OE2 3.73Å; R59-E179 PolarHBondContact NH1-OE2 2.97Å; R59-E179 IonicContact NH2-OE1 3.36Å; R59-E179 PolarHBondContact NH2-OE1 3.45Å; R59-E179 IonicContact NH2-OE2 3.39Å; R59-E179 PolarHBondContact NH2-OE2 3.48Å; L177-E179 PolarHBondContact O-N 3.48Å; E179-V181 PolarHBondContact O-N 3.11Å
180	Y	44.8	Very low	68.8	Low	184 Å²	184	61.4 Å²	61.4	72%	0.722	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-3.1	171.9	-95.7	-92.5	0	0	0	114.6	T178	T178-Y180 VanDerWaalsContact C-N 3.34Å; T178-Y180 HydrophobicContact CG2-CD2 4.35Å; T178-Y180 HydrophobicContact CG2-CE2 4.26Å; T178-Y180 PolarHBondContact O-N 3.26Å
181	V	47.2	Very low	69.7	Low	145 Å²	145	54 Å²	54	88%	0.879	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	2.2	-167.6	-161	0	0	0	0	114	E179	E179-V181 PolarHBondContact O-N 3.11Å
182	A	63.7	Low	70.5	Confident	24 Å²	24	52.2 Å²	52.2	20%	0.198	28%	0.281	C	S	.	.	S	Bend	trans	-98.1	154.3	-178.4	0	0	0	0	0	114	R184	A182-R184 PolarHBondContact O-N 3.27Å
183	T	79.6	Confident	71.5	Confident	60 Å²	60	48.2 Å²	48.2	37%	0.368	26%	0.259	S	S	.	.			trans	-62.2	120.2	172	-55.8	0	0	0	0	110.4	W185 Y186	T183-W185 HydrophobicContact CG2-CB 4.08Å; T183-W185 HydrophobicContact CG2-CD2 3.51Å; T183-W185 HydrophobicContact CG2-CE3 3.75Å; T183-W185 HydrophobicContact CG2-CG 3.66Å; T183-W185 HydrophobicContact CG2-CZ3 4.42Å; T183-Y186 HydrophobicContact CG2-CD2 4.47Å; T183-Y186 HydrophobicContact CG2-CE2 4.05Å
184	R	89.4	Confident	72	Confident	29 Å²	29	48.3 Å²	48.3	11%	0.109	26%	0.261	C	S	.	.			trans	-101.7	3.6	-178.3	71.8	-175.5	66	76	-4	114.8	A182 Y186 R187 G223 K224 H225 Q229	A182-R184 PolarHBondContact O-N 3.27Å; R184-Y186 PolarHBondContact O-N 3.25Å; R184-Y186 VanDerWaalsContact O-N 3.14Å; R184-R187 HydrophobicContact CB-CG 4.36Å; R184-R187 WeakPolarHBondContact O-CB 3.42Å; R184-R187 PolarHBondContact O-N 3.04Å; R184-G223 PolarHBondContact NH1-O 3.07Å; R184-K224 PolarHBondContact NH1-O 3.24Å; R184-K224 PolarHBondContact NH2-O 3.31Å; R184-H225 VanDerWaalsContact CZ-CA 3.5Å; R184-Q229 HydrophobicContact CG-CB 4.14Å; R184-Q229 HydrophobicContact CG-CG 4.08Å; R184-Q229 PolarHBondContact O-NE2 3.2Å
185	W	96	Very high	72.5	Confident	72 Å²	72	47.8 Å²	47.8	27%	0.273	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.9	-169.1	-56.7	-18.2	0	0	0	114.2	T183 P219 F221 P222 G223 Q229	T183-W185 HydrophobicContact CG2-CB 4.08Å; T183-W185 HydrophobicContact CG2-CD2 3.51Å; T183-W185 HydrophobicContact CG2-CE3 3.75Å; T183-W185 HydrophobicContact CG2-CG 3.66Å; T183-W185 HydrophobicContact CG2-CZ3 4.42Å; W185-P219 HydrophobicContact CD2-CB 4.31Å; W185-P219 HydrophobicContact CE3-CB 3.71Å; W185-P219 HydrophobicContact CE3-CG 3.64Å; W185-P219 HydrophobicContact CZ3-CB 4.17Å; W185-P219 HydrophobicContact CZ3-CG 3.6Å; W185-F221 WeakPolarHBondContact CA-O 3.3Å; W185-F221 WeakPolarHBondContact CB-O 3.23Å; W185-P222 VanDerWaalsContact CD1-CA 3.45Å; W185-P222 HydrophobicContact CD2-CB 4.35Å; W185-P222 HydrophobicContact CZ2-CB 4.38Å; W185-G223 PolarHBondContact NE1-O 3.38Å; W185-Q229 PolarHBondContact O-NE2 2.97Å
186	Y	96.5	Very high	73.3	Confident	12 Å²	12	50.7 Å²	50.7	5%	0.047	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	2.5	-179.1	-43.7	-82.1	0	0	0	112.4	L143 K144 P145 T183 R184 W205 S206 C209 I210 E213	L143-Y186 WeakPolarHBondContact O-CB 3.47Å; K144-Y186 HydrophobicContact CB-CD2 3.4Å; K144-Y186 VanDerWaalsContact CB-CD2 3.4Å; K144-Y186 HydrophobicContact CB-CE2 3.46Å; K144-Y186 VanDerWaalsContact CB-CE2 3.46Å; K144-Y186 HydrophobicContact CB-CG 4.05Å; P145-Y186 VanDerWaalsContact CD-CE1 3.42Å; P145-Y186 WeakPolarHBondContact CD-OH 3.16Å; P145-Y186 HydrophobicContact CG-CE1 3.98Å; T183-Y186 HydrophobicContact CG2-CD2 4.47Å; T183-Y186 HydrophobicContact CG2-CE2 4.05Å; R184-Y186 PolarHBondContact O-N 3.25Å; R184-Y186 VanDerWaalsContact O-N 3.14Å; Y186-W205 VanDerWaalsContact O-CD1 3.31Å; Y186-S206 WeakPolarHBondContact O-CA 3.33Å; Y186-S206 PolarHBondContact O-OG 3.45Å; Y186-C209 HydrophobicContact CD1-CB 3.68Å; Y186-C209 HydrophobicContact CE1-CB 4.49Å; Y186-C209 HydrophobicContact CG-CB 4.5Å; Y186-I210 HydrophobicContact CD1-CG1 3.89Å; Y186-I210 HydrophobicContact CE1-CG1 4.17Å; Y186-E213 WeakPolarHBondContact CE1-OE2 3.33Å; Y186-E213 PolarHBondContact OH-OE2 2.97Å
187	R	93.1	Very high	74.1	Confident	22 Å²	22	49.7 Å²	49.7	8%	0.083	26%	0.257	C	S	.	.			trans	-79.6	135.6	-178	-66.6	-175.8	-175.7	-179.4	-1.6	111.2	R184 I191 W205 Y226	R184-R187 HydrophobicContact CB-CG 4.36Å; R184-R187 WeakPolarHBondContact O-CB 3.42Å; R184-R187 PolarHBondContact O-N 3.04Å; R187-I191 HydrophobicContact CB-CD1 4.07Å; R187-I191 HydrophobicContact CG-CD1 4.38Å; R187-W205 PolarHBondContact O-NE1 3Å; R187-Y226 PolarHBondContact NH1-OH 3.29Å
188	A	93.2	Very high	75.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.251	C	S	.	.			trans	-66.3	150.4	179.5	0	0	0	0	0	113.2	E190 I191 M192 I202 W205	A188-E190 VanDerWaalsContact C-N 3.26Å; A188-E190 HydrophobicContact CB-CG 4.3Å; A188-E190 VanDerWaalsContact CB-OE1 3.3Å; A188-E190 WeakPolarHBondContact CB-OE1 3.48Å; A188-E190 VanDerWaalsContact CB-OE2 3.31Å; A188-E190 WeakPolarHBondContact CB-OE2 3.17Å; A188-E190 PolarHBondContact O-N 3.27Å; A188-I191 HydrophobicContact CB-CD1 4.4Å; A188-I191 HydrophobicContact CB-CG1 4.41Å; A188-I191 WeakPolarHBondContact O-CB 3.31Å; A188-I191 PolarHBondContact O-N 3.41Å; A188-I191 VanDerWaalsContact O-N 3.13Å; A188-M192 WeakPolarHBondContact O-CE 3.33Å; A188-I202 HydrophobicContact CB-CB 4.14Å; A188-I202 HydrophobicContact CB-CG2 4.13Å; A188-W205 HydrophobicContact CB-CB 3.65Å; A188-W205 HydrophobicContact CB-CD2 4.24Å; A188-W205 HydrophobicContact CB-CG 3.6Å
189	P	92.3	Very high	77.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.5	-35.4	-179.2	22.9	-33	0	0	0	112.9	I191 M192 L193 W205 L230 F289	P189-I191 PolarHBondContact O-N 3.44Å; P189-M192 PolarHBondContact O-N 2.87Å; P189-L193 HydrophobicContact CB-CD1 4.22Å; P189-L193 WeakPolarHBondContact O-CB 3.26Å; P189-L193 WeakPolarHBondContact O-CG 3.47Å; P189-L193 PolarHBondContact O-N 2.81Å; P189-W205 HydrophobicContact CG-CE3 4.32Å; P189-W205 HydrophobicContact CG-CH2 4.28Å; P189-W205 HydrophobicContact CG-CZ3 4.11Å; P189-L230 HydrophobicContact CB-CD1 4.21Å; P189-F289 HydrophobicContact CB-CD2 4.13Å; P189-F289 HydrophobicContact CB-CE2 3.79Å; P189-F289 HydrophobicContact CG-CD2 3.95Å; P189-F289 HydrophobicContact CG-CE2 4.1Å
190	E	89.2	Confident	79.6	Confident	8 Å²	8	47.9 Å²	47.9	4%	0.037	24%	0.244	C	C	.	.	H	α-helix	trans	-64.6	-25	178.8	64.1	-88.1	-157.9	0	0	113.8	A188 M192 L193 S194 I202 W247 P291 R294	A188-E190 VanDerWaalsContact C-N 3.26Å; A188-E190 HydrophobicContact CB-CG 4.3Å; A188-E190 VanDerWaalsContact CB-OE1 3.3Å; A188-E190 WeakPolarHBondContact CB-OE1 3.48Å; A188-E190 VanDerWaalsContact CB-OE2 3.31Å; A188-E190 WeakPolarHBondContact CB-OE2 3.17Å; A188-E190 PolarHBondContact O-N 3.27Å; E190-M192 PolarHBondContact O-N 3.47Å; E190-L193 PolarHBondContact O-N 3.24Å; E190-S194 VanDerWaalsContact O-CB 3.3Å; E190-S194 WeakPolarHBondContact O-CB 3.45Å; E190-S194 PolarHBondContact O-N 3.32Å; E190-I202 HydrophobicContact CG-CG2 4.07Å; E190-I202 WeakPolarHBondContact OE1-CG2 3.16Å; E190-W247 HydrophobicContact CB-CE3 4.31Å; E190-W247 HydrophobicContact CB-CH2 3.66Å; E190-W247 HydrophobicContact CB-CZ2 4.47Å; E190-W247 HydrophobicContact CB-CZ3 3.57Å; E190-P291 HydrophobicContact CB-CG 4.4Å; E190-P291 HydrophobicContact CG-CB 4.46Å; E190-P291 HydrophobicContact CG-CG 4.39Å; E190-R294 IonicContact OE1-CZ 2.65Å; E190-R294 IonicContact OE1-NH1 3.59Å; E190-R294 PolarHBondContact OE1-NH1 2.85Å; E190-R294 IonicContact OE1-NH2 3.95Å; E190-R294 PolarHBondContact OE1-NH2 3.35Å; E190-R294 IonicContact OE2-CZ 3.52Å; E190-R294 IonicContact OE2-NH1 3.55Å; E190-R294 IonicContact OE2-NH2 3.97Å; E190-R294 PolarHBondContact OE2-NH2 2.82Å
191	I	86.6	Confident	82	Confident	19 Å²	19	39.5 Å²	39.5	10%	0.097	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-30.3	172	-62.7	177.7	0	0	0	110.8	L177 R187 A188 P189 Y198 I202	L177-I191 HydrophobicContact CD1-CG2 3.87Å; L177-I191 HydrophobicContact CD2-CG2 3.98Å; R187-I191 HydrophobicContact CB-CD1 4.07Å; R187-I191 HydrophobicContact CG-CD1 4.38Å; A188-I191 HydrophobicContact CB-CD1 4.4Å; A188-I191 HydrophobicContact CB-CG1 4.41Å; A188-I191 WeakPolarHBondContact O-CB 3.31Å; A188-I191 PolarHBondContact O-N 3.41Å; A188-I191 VanDerWaalsContact O-N 3.13Å; P189-I191 PolarHBondContact O-N 3.44Å; I191-Y198 HydrophobicContact CB-CE1 4.37Å; I191-Y198 HydrophobicContact CG1-CD1 4.1Å; I191-Y198 HydrophobicContact CG1-CE1 4.11Å; I191-I202 HydrophobicContact CD1-CB 4.16Å; I191-I202 HydrophobicContact CD1-CD1 4.46Å; I191-I202 HydrophobicContact CD1-CG2 4.16Å; I191-I202 HydrophobicContact CG1-CG2 4.02Å
192	M	84.5	Confident	84.3	Confident	41 Å²	41	32.7 Å²	32.7	20%	0.202	17%	0.172	C	C	.	.	H	α-helix	trans	-96.3	-22.3	-178.2	-66.5	169.2	-93.3	0	0	113.3	A188 P189 E190 Y226 Q229 L230 I233	A188-M192 WeakPolarHBondContact O-CE 3.33Å; P189-M192 PolarHBondContact O-N 2.87Å; E190-M192 PolarHBondContact O-N 3.47Å; M192-Y226 HydrophobicContact CG-CD1 3.76Å; M192-Y226 HydrophobicContact CG-CE1 4.4Å; M192-Y226 HydrophobicContact CG-CG 4.45Å; M192-Y226 HydrophobicContact SD-CD1 4.11Å; M192-Q229 HydrophobicContact CE-CB 4.48Å; M192-Q229 HydrophobicContact CE-CG 3.68Å; M192-Q229 HydrophobicContact SD-CB 3.85Å; M192-Q229 HydrophobicContact SD-CG 3.7Å; M192-L230 HydrophobicContact SD-CB 4.33Å; M192-I233 HydrophobicContact CE-CD1 3.96Å
193	L	84.4	Confident	85.9	Confident	6 Å²	6	31.5 Å²	31.5	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-109	-23.8	-170.1	-72.7	173.7	0	0	0	114.6	P189 E190 L230 W247 I248 A253 V257 F289	P189-L193 HydrophobicContact CB-CD1 4.22Å; P189-L193 WeakPolarHBondContact O-CB 3.26Å; P189-L193 WeakPolarHBondContact O-CG 3.47Å; P189-L193 PolarHBondContact O-N 2.81Å; E190-L193 PolarHBondContact O-N 3.24Å; L193-L230 HydrophobicContact CD1-CD1 3.94Å; L193-L230 HydrophobicContact CD1-CD2 4.43Å; L193-L230 HydrophobicContact CD2-CD2 3.54Å; L193-L230 HydrophobicContact CG-CD1 4.18Å; L193-L230 HydrophobicContact CG-CD2 3.99Å; L193-W247 HydrophobicContact CB-CH2 3.8Å; L193-W247 HydrophobicContact CB-CZ3 3.72Å; L193-W247 HydrophobicContact CD1-CH2 3.73Å; L193-W247 HydrophobicContact CD1-CZ2 4.45Å; L193-W247 HydrophobicContact CD1-CZ3 4.45Å; L193-W247 HydrophobicContact CG-CH2 4.43Å; L193-I248 HydrophobicContact CD1-CD1 4.01Å; L193-A253 HydrophobicContact CD2-CB 3.66Å; L193-V257 HydrophobicContact CD1-CG2 4.12Å; L193-V257 HydrophobicContact CD2-CG2 3.89Å; L193-F289 HydrophobicContact CD1-CE2 4.01Å; L193-F289 HydrophobicContact CD1-CZ 3.62Å
194	S	73	Confident	86.8	Confident	15 Å²	15	28.8 Å²	28.8	11%	0.105	15%	0.146	C	C	.	.			trans	-111.1	149.3	-174.3	-170.2	0	0	0	0	112.2	E190 K196	E190-S194 VanDerWaalsContact O-CB 3.3Å; E190-S194 WeakPolarHBondContact O-CB 3.45Å; E190-S194 PolarHBondContact O-N 3.32Å; S194-K196 WeakPolarHBondContact OG-CB 3.49Å; S194-K196 PolarHBondContact OG-N 2.79Å
195	S	63.3	Low	87.2	Confident	62 Å²	62	27.4 Å²	27.4	43%	0.434	14%	0.14	S	C	.	.			trans	-102.1	9.5	166.7	67	0	0	0	0	113.2	M174	M174-S195 VanDerWaalsContact SD-CA 3.5Å
196	K	65.5	Low	87.3	Confident	128 Å²	128	24.2 Å²	24.2	56%	0.557	13%	0.129	S	C	*	.	S	Bend	trans	-91.1	161.8	178.9	-65.2	-170.7	175.9	-174.6	0	111.4	S194	S194-K196 WeakPolarHBondContact OG-CB 3.49Å; S194-K196 PolarHBondContact OG-N 2.79Å
197	S	68.4	Low	87.4	Confident	34 Å²	34	23.7 Å²	23.7	24%	0.238	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-47.2	136.4	169.7	-45.5	0	0	0	0	111.7	P169 H171	P169-S197 PolarHBondContact O-OG 3.2Å; H171-S197 WeakPolarHBondContact O-CB 3.31Å; H171-S197 PolarHBondContact O-OG 2.56Å
198	Y	77.7	Confident	87.7	Confident	6 Å²	6	22.6 Å²	22.6	2%	0.024	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-82.3	144.6	178.4	-53.3	-62.3	0	0	0	110.4	L177 I191 I202	L177-Y198 HydrophobicContact CD1-CD2 4.38Å; L177-Y198 HydrophobicContact CD1-CE1 4.38Å; L177-Y198 HydrophobicContact CD1-CE2 3.29Å; L177-Y198 WeakPolarHBondContact CD1-OH 3.42Å; L177-Y198 HydrophobicContact CG-CE2 4.42Å; I191-Y198 HydrophobicContact CB-CE1 4.37Å; I191-Y198 HydrophobicContact CG1-CD1 4.1Å; I191-Y198 HydrophobicContact CG1-CE1 4.11Å; Y198-I202 HydrophobicContact CD1-CG2 4.39Å
199	T	88.9	Confident	88	Confident	70 Å²	70	22.7 Å²	22.7	43%	0.429	12%	0.123	S	C	.	.			trans	-108.4	173.7	178.1	70.3	0	0	0	0	110.5	A201 I202	T199-A201 PolarHBondContact O-N 2.87Å; T199-A201 VanDerWaalsContact OG1-CB 3.32Å; T199-A201 WeakPolarHBondContact OG1-CB 3.44Å; T199-A201 PolarHBondContact OG1-N 2.93Å; T199-I202 WeakPolarHBondContact O-CG1 3.5Å; T199-I202 PolarHBondContact O-N 3.15Å; T199-I202 VanDerWaalsContact O-N 3.15Å
200	K	94.9	Very high	88.3	Confident	68 Å²	68	22.8 Å²	22.8	30%	0.296	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.4	-27	168.8	-71.4	174.5	177.1	-177.3	0	114.3	H134 L139 I202 D203 I204	H134-K200 HydrophobicContact CB-CD 3.78Å; H134-K200 HydrophobicContact CB-CG 4.21Å; H134-K200 VanDerWaalsContact CE1-CB 3.5Å; H134-K200 WeakPolarHBondContact CE1-CB 3.31Å; H134-K200 PolarHBondContact CE1-O 3.43Å; H134-K200 VanDerWaalsContact CE1-O 3.24Å; H134-K200 WeakPolarHBondContact O-CE 3.5Å; H134-K200 PolarHBondContact O-NZ 3.39Å; L139-K200 HydrophobicContact CD2-CB 4.29Å; L139-K200 HydrophobicContact CD2-CG 3.78Å; K200-I202 PolarHBondContact O-N 2.76Å; K200-I202 VanDerWaalsContact O-N 3.16Å; K200-D203 PolarHBondContact O-N 2.91Å; K200-D203 VanDerWaalsContact O-N 3.15Å; K200-I204 PolarHBondContact O-N 2.97Å
201	A	95.3	Very high	88.7	Confident	9 Å²	9	22.4 Å²	22.4	7%	0.074	12%	0.122	C	C	.	.	H	α-helix	trans	-59.1	-27	-179.3	0	0	0	0	0	113.6	T199 D203 I204 W205 P291 R294	T199-A201 PolarHBondContact O-N 2.87Å; T199-A201 VanDerWaalsContact OG1-CB 3.32Å; T199-A201 WeakPolarHBondContact OG1-CB 3.44Å; T199-A201 PolarHBondContact OG1-N 2.93Å; A201-D203 VanDerWaalsContact C-N 3.28Å; A201-D203 PolarHBondContact O-N 2.88Å; A201-I204 WeakPolarHBondContact O-CB 3.48Å; A201-I204 PolarHBondContact O-N 3.13Å; A201-W205 PolarHBondContact O-N 3.24Å; A201-P291 HydrophobicContact CB-CB 3.79Å; A201-R294 PolarHBondContact O-NH1 3.36Å
202	I	94.5	Very high	89.3	Confident	1 Å²	1	21.5 Å²	21.5	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-64.9	-34.7	179	68.8	179	0	0	0	112.2	L139 R141 A188 E190 I191 Y198 T199 K200 S206	L139-I202 HydrophobicContact CD1-CD1 4.35Å; R141-I202 HydrophobicContact CB-CD1 4.47Å; R141-I202 HydrophobicContact CG-CD1 3.78Å; A188-I202 HydrophobicContact CB-CB 4.14Å; A188-I202 HydrophobicContact CB-CG2 4.13Å; E190-I202 HydrophobicContact CG-CG2 4.07Å; E190-I202 WeakPolarHBondContact OE1-CG2 3.16Å; I191-I202 HydrophobicContact CD1-CB 4.16Å; I191-I202 HydrophobicContact CD1-CD1 4.46Å; I191-I202 HydrophobicContact CD1-CG2 4.16Å; I191-I202 HydrophobicContact CG1-CG2 4.02Å; Y198-I202 HydrophobicContact CD1-CG2 4.39Å; T199-I202 WeakPolarHBondContact O-CG1 3.5Å; T199-I202 PolarHBondContact O-N 3.15Å; T199-I202 VanDerWaalsContact O-N 3.15Å; K200-I202 PolarHBondContact O-N 2.76Å; K200-I202 VanDerWaalsContact O-N 3.16Å; I202-S206 PolarHBondContact O-N 3.48Å; I202-S206 PolarHBondContact O-OG 3.44Å
203	D	97.4	Very high	90	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-74.4	-38.6	178.5	-68.2	-30.4	0	0	0	109.5	L130 H134 L139 H140 R141 L143 K200 A201 W205 S206 V207	L130-D203 HydrophobicContact CD1-CB 3.88Å; L130-D203 HydrophobicContact CD2-CB 3.91Å; L130-D203 HydrophobicContact CG-CB 4.47Å; H134-D203 IonicContact CD2-OD2 2.64Å; H134-D203 IonicContact CE1-OD2 3.82Å; H134-D203 IonicContact NE2-OD2 3.62Å; H134-D203 PolarHBondContact NE2-OD2 3.15Å; L139-D203 WeakPolarHBondContact CA-OD2 3.38Å; H140-D203 PolarHBondContact N-OD1 3.16Å; H140-D203 PolarHBondContact N-OD2 3.28Å; R141-D203 PolarHBondContact N-OD1 3.35Å; L143-D203 HydrophobicContact CD1-CB 3.94Å; K200-D203 PolarHBondContact O-N 2.91Å; K200-D203 VanDerWaalsContact O-N 3.15Å; A201-D203 VanDerWaalsContact C-N 3.28Å; A201-D203 PolarHBondContact O-N 2.88Å; D203-W205 VanDerWaalsContact C-N 3.3Å; D203-W205 PolarHBondContact O-N 3.1Å; D203-S206 WeakPolarHBondContact O-CA 3.47Å; D203-S206 VanDerWaalsContact O-CB 3.27Å; D203-S206 WeakPolarHBondContact O-CB 3.32Å; D203-S206 PolarHBondContact O-N 3.23Å; D203-V207 WeakPolarHBondContact O-CG2 3.36Å; D203-V207 PolarHBondContact O-N 3.32Å
204	I	98.7	Very high	90.6	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.015	11%	0.108	C	C	.	.	H	α-helix	trans	-57.7	-43.6	173.9	-54.4	-57.2	0	0	0	111.4	L130 K200 A201 S206 V207 G208 L286 R294 I295 V297	L130-I204 HydrophobicContact CD2-CD1 3.94Å; K200-I204 PolarHBondContact O-N 2.97Å; A201-I204 WeakPolarHBondContact O-CB 3.48Å; A201-I204 PolarHBondContact O-N 3.13Å; I204-S206 VanDerWaalsContact C-N 3.31Å; I204-S206 PolarHBondContact O-N 3.46Å; I204-V207 WeakPolarHBondContact O-CB 3.49Å; I204-V207 PolarHBondContact O-N 3.37Å; I204-G208 PolarHBondContact O-N 3.36Å; I204-L286 HydrophobicContact CG2-CD2 3.55Å; I204-R294 HydrophobicContact CG2-CG 4.07Å; I204-I295 HydrophobicContact CG2-CG2 4.04Å; I204-I295 WeakPolarHBondContact CG2-O 2.98Å; I204-V297 HydrophobicContact CD1-CB 3.83Å
205	W	98.4	Very high	91.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.7	-44	174.1	175.7	-80.8	0	0	0	111.7	Y186 R187 A188 P189 A201 D203 V207 G208 C209 F221 I233 L237 L287	Y186-W205 VanDerWaalsContact O-CD1 3.31Å; R187-W205 PolarHBondContact O-NE1 3Å; A188-W205 HydrophobicContact CB-CB 3.65Å; A188-W205 HydrophobicContact CB-CD2 4.24Å; A188-W205 HydrophobicContact CB-CG 3.6Å; P189-W205 HydrophobicContact CG-CE3 4.32Å; P189-W205 HydrophobicContact CG-CH2 4.28Å; P189-W205 HydrophobicContact CG-CZ3 4.11Å; A201-W205 PolarHBondContact O-N 3.24Å; D203-W205 VanDerWaalsContact C-N 3.3Å; D203-W205 PolarHBondContact O-N 3.1Å; W205-V207 VanDerWaalsContact C-N 3.29Å; W205-V207 PolarHBondContact O-N 2.82Å; W205-G208 WeakPolarHBondContact O-CA 3.46Å; W205-G208 PolarHBondContact O-N 3.47Å; W205-C209 PolarHBondContact NE1-SG 2.93Å; W205-C209 VanDerWaalsContact NE1-SG 3.39Å; W205-C209 PolarHBondContact O-N 3.29Å; W205-F221 HydrophobicContact CH2-CE2 4.23Å; W205-F221 HydrophobicContact CZ2-CD2 4.12Å; W205-F221 AromaticContact CZ2-CE2 3.7Å; W205-F221 HydrophobicContact CZ2-CE2 3.7Å; W205-F221 HydrophobicContact CZ2-CZ 4.46Å; W205-I233 HydrophobicContact CH2-CD1 4.49Å; W205-I233 HydrophobicContact CH2-CG1 4.44Å; W205-I233 HydrophobicContact CH2-CG2 3.62Å; W205-I233 HydrophobicContact CZ2-CD1 3.73Å; W205-I233 HydrophobicContact CZ2-CG1 3.87Å; W205-I233 HydrophobicContact CZ2-CG2 3.92Å; W205-L237 HydrophobicContact CH2-CD1 3.68Å; W205-L237 HydrophobicContact CZ3-CD1 3.89Å; W205-L287 HydrophobicContact CD2-CD2 4Å; W205-L287 HydrophobicContact CE3-CD2 4.03Å; W205-L287 HydrophobicContact CH2-CD2 4.2Å; W205-L287 HydrophobicContact CZ2-CD2 4.18Å; W205-L287 HydrophobicContact CZ3-CB 4.33Å; W205-L287 HydrophobicContact CZ3-CD2 4.14Å
206	S	98.4	Very high	93.4	Very high	5 Å²	5	20.5 Å²	20.5	4%	0.035	11%	0.107	C	C	.	.	H	α-helix	trans	-58.9	-43.6	178.1	-52.7	0	0	0	0	110.8	Y186 I202 D203 I204 C209 I210	Y186-S206 WeakPolarHBondContact O-CA 3.33Å; Y186-S206 PolarHBondContact O-OG 3.45Å; I202-S206 PolarHBondContact O-N 3.48Å; I202-S206 PolarHBondContact O-OG 3.44Å; D203-S206 WeakPolarHBondContact O-CA 3.47Å; D203-S206 VanDerWaalsContact O-CB 3.27Å; D203-S206 WeakPolarHBondContact O-CB 3.32Å; D203-S206 PolarHBondContact O-N 3.23Å; I204-S206 VanDerWaalsContact C-N 3.31Å; I204-S206 PolarHBondContact O-N 3.46Å; S206-C209 PolarHBondContact O-N 3.18Å; S206-I210 WeakPolarHBondContact O-CD1 3.44Å; S206-I210 VanDerWaalsContact O-CG1 3.24Å; S206-I210 WeakPolarHBondContact O-CG1 3.48Å; S206-I210 PolarHBondContact O-N 3.41Å
207	V	98.8	Very high	94.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.5	-44	172.6	177.8	0	0	0	0	111.3	L123 V126 L127 L130 L143 D203 I204 W205 C209 I210 F211	L123-V207 HydrophobicContact CD1-CG1 3.49Å; L123-V207 VanDerWaalsContact CD1-CG1 3.49Å; V126-V207 HydrophobicContact CG1-CG1 4.31Å; V126-V207 HydrophobicContact CG1-CG2 3.76Å; L127-V207 HydrophobicContact CD2-CG1 3.91Å; L127-V207 HydrophobicContact CG-CG1 4.25Å; L130-V207 HydrophobicContact CD2-CG2 3.74Å; L143-V207 HydrophobicContact CD1-CG2 4Å; D203-V207 WeakPolarHBondContact O-CG2 3.36Å; D203-V207 PolarHBondContact O-N 3.32Å; I204-V207 WeakPolarHBondContact O-CB 3.49Å; I204-V207 PolarHBondContact O-N 3.37Å; W205-V207 VanDerWaalsContact C-N 3.29Å; W205-V207 PolarHBondContact O-N 2.82Å; V207-C209 VanDerWaalsContact C-N 3.34Å; V207-C209 PolarHBondContact O-N 2.84Å; V207-I210 PolarHBondContact O-N 2.86Å; V207-I210 VanDerWaalsContact O-N 3.16Å; V207-F211 WeakPolarHBondContact O-CB 3.3Å; V207-F211 PolarHBondContact O-N 2.88Å
208	G	98.8	Very high	96.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.3	-42.5	175.7	0	0	0	0	0	113.3	I204 W205 F211 G212 L283	I204-G208 PolarHBondContact O-N 3.36Å; W205-G208 WeakPolarHBondContact O-CA 3.46Å; W205-G208 PolarHBondContact O-N 3.47Å; G208-F211 PolarHBondContact O-N 2.66Å; G208-G212 PolarHBondContact O-N 3.43Å; G208-L283 WeakPolarHBondContact O-CD1 3.4Å
209	C	98.7	Very high	97.1	Very high	2 Å²	2	28 Å²	28	1%	0.014	13%	0.131	C	C	.	.	H	α-helix	trans	-63.6	-42.8	174	-71.6	0	0	0	0	112.1	Y186 W205 S206 V207 G212 E213	Y186-C209 HydrophobicContact CD1-CB 3.68Å; Y186-C209 HydrophobicContact CE1-CB 4.49Å; Y186-C209 HydrophobicContact CG-CB 4.5Å; W205-C209 PolarHBondContact NE1-SG 2.93Å; W205-C209 VanDerWaalsContact NE1-SG 3.39Å; W205-C209 PolarHBondContact O-N 3.29Å; S206-C209 PolarHBondContact O-N 3.18Å; V207-C209 VanDerWaalsContact C-N 3.34Å; V207-C209 PolarHBondContact O-N 2.84Å; C209-G212 PolarHBondContact O-N 3.02Å; C209-E213 WeakPolarHBondContact O-CB 3.38Å; C209-E213 PolarHBondContact O-N 3.32Å
210	I	98.8	Very high	97.5	Very high	1 Å²	1	26 Å²	26	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-64.7	-42.4	177.9	-66.4	162.3	0	0	0	110.4	L105 L143 P145 L148 Y186 S206 V207 E213 M214	L105-I210 HydrophobicContact CD2-CG2 3.67Å; L143-I210 HydrophobicContact CB-CD1 4.2Å; P145-I210 HydrophobicContact CG-CG1 4.18Å; P145-I210 HydrophobicContact CG-CG2 4.44Å; L148-I210 HydrophobicContact CD1-CD1 4.06Å; L148-I210 HydrophobicContact CD1-CG2 3.9Å; Y186-I210 HydrophobicContact CD1-CG1 3.89Å; Y186-I210 HydrophobicContact CE1-CG1 4.17Å; S206-I210 WeakPolarHBondContact O-CD1 3.44Å; S206-I210 VanDerWaalsContact O-CG1 3.24Å; S206-I210 WeakPolarHBondContact O-CG1 3.48Å; S206-I210 PolarHBondContact O-N 3.41Å; V207-I210 PolarHBondContact O-N 2.86Å; V207-I210 VanDerWaalsContact O-N 3.16Å; I210-E213 PolarHBondContact O-N 2.94Å; I210-E213 VanDerWaalsContact O-N 3.16Å; I210-M214 HydrophobicContact CG2-CE 4.37Å; I210-M214 WeakPolarHBondContact O-CG 3.37Å; I210-M214 PolarHBondContact O-N 3.39Å
211	F	98.8	Very high	97.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.1	-49.2	175.7	-178.3	-151.5	0	0	0	111.2	T119 L123 V207 G208 E213 M214 L215 T279 L282 L283 L286 Y305	T119-F211 HydrophobicContact CG2-CD2 3.97Å; T119-F211 HydrophobicContact CG2-CE2 3.77Å; L123-F211 HydrophobicContact CD1-CB 3.97Å; L123-F211 HydrophobicContact CD1-CG 4.3Å; L123-F211 HydrophobicContact CD2-CB 4.21Å; L123-F211 HydrophobicContact CD2-CD1 3.84Å; L123-F211 HydrophobicContact CD2-CD2 3.6Å; L123-F211 HydrophobicContact CD2-CE1 3.99Å; L123-F211 HydrophobicContact CD2-CE2 3.74Å; L123-F211 HydrophobicContact CD2-CG 3.62Å; L123-F211 HydrophobicContact CD2-CZ 3.91Å; V207-F211 WeakPolarHBondContact O-CB 3.3Å; V207-F211 PolarHBondContact O-N 2.88Å; G208-F211 PolarHBondContact O-N 2.66Å; F211-E213 PolarHBondContact O-N 2.95Å; F211-M214 HydrophobicContact CB-CE 4.49Å; F211-M214 HydrophobicContact CD2-CE 4.25Å; F211-M214 PolarHBondContact O-N 3.13Å; F211-M214 VanDerWaalsContact O-N 3.11Å; F211-L215 HydrophobicContact CD2-CD1 4.38Å; F211-L215 HydrophobicContact CD2-CG 4.23Å; F211-L215 HydrophobicContact CE2-CD1 4.21Å; F211-L215 HydrophobicContact CE2-CD2 3.99Å; F211-L215 HydrophobicContact CE2-CG 4.13Å; F211-L215 HydrophobicContact CZ-CD1 4.44Å; F211-L215 WeakPolarHBondContact O-CG 3.37Å; F211-L215 PolarHBondContact O-N 2.96Å; F211-T279 HydrophobicContact CE1-CG2 4.37Å; F211-T279 HydrophobicContact CE2-CG2 4.27Å; F211-T279 HydrophobicContact CZ-CG2 3.66Å; F211-L282 HydrophobicContact CE1-CB 4.2Å; F211-L282 HydrophobicContact CE1-CD2 4.04Å; F211-L282 HydrophobicContact CE1-CG 4.1Å; F211-L282 HydrophobicContact CZ-CD2 4.43Å; F211-L283 HydrophobicContact CB-CD1 4.38Å; F211-L283 HydrophobicContact CD1-CB 4.01Å; F211-L283 HydrophobicContact CD1-CD1 3.75Å; F211-L283 HydrophobicContact CD1-CG 4.48Å; F211-L283 HydrophobicContact CE1-CB 3.94Å; F211-L283 HydrophobicContact CE1-CD1 4.49Å; F211-L283 HydrophobicContact CG-CD1 4.32Å; F211-L286 HydrophobicContact CD1-CD1 3.91Å; F211-Y305 HydrophobicContact CE2-CE1 4.17Å; F211-Y305 AromaticContact CE2-CZ 3.94Å; F211-Y305 AromaticContact CZ-CE1 3.95Å; F211-Y305 HydrophobicContact CZ-CE1 3.95Å; F211-Y305 HydrophobicContact CZ-CE2 4.22Å; F211-Y305 AromaticContact CZ-CZ 3.76Å
212	G	98.4	Very high	97.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.5	-35.8	174.2	0	0	0	0	0	113.3	G208 C209 N216 Y272	G208-G212 PolarHBondContact O-N 3.43Å; C209-G212 PolarHBondContact O-N 3.02Å; G212-N216 PolarHBondContact O-OD1 3.32Å; G212-Y272 WeakPolarHBondContact CA-OH 3.31Å; G212-Y272 WeakPolarHBondContact O-CE1 3.38Å; G212-Y272 PolarHBondContact O-OH 3.13Å
213	E	98.3	Very high	97.7	Very high	5 Å²	5	25 Å²	25	2%	0.023	12%	0.117	C	C	.	.	H	α-helix	trans	-73.4	-34.8	176.1	-173	169.3	159.8	0	0	112.6	L109 Y186 C209 I210 F211 L215 N216 R217 P219	L109-E213 HydrophobicContact CD1-CG 3.92Å; Y186-E213 WeakPolarHBondContact CE1-OE2 3.33Å; Y186-E213 PolarHBondContact OH-OE2 2.97Å; C209-E213 WeakPolarHBondContact O-CB 3.38Å; C209-E213 PolarHBondContact O-N 3.32Å; I210-E213 PolarHBondContact O-N 2.94Å; I210-E213 VanDerWaalsContact O-N 3.16Å; F211-E213 PolarHBondContact O-N 2.95Å; E213-L215 VanDerWaalsContact C-N 3.26Å; E213-L215 PolarHBondContact O-N 2.95Å; E213-N216 PolarHBondContact O-N 3.47Å; E213-R217 WeakPolarHBondContact O-CA 3.41Å; E213-R217 PolarHBondContact O-N 2.99Å; E213-P219 WeakPolarHBondContact OE2-CA 3.38Å
214	M	98.5	Very high	97.4	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.02	15%	0.151	C	C	.	.	H	α-helix	trans	-62.7	-34	173.8	-72.2	-169.4	-68.3	0	0	112.4	L105 L109 L114 T119 F122 L123 I210 F211 N216	L105-M214 HydrophobicContact CD1-CG 4.28Å; L105-M214 HydrophobicContact CD1-SD 4.15Å; L105-M214 HydrophobicContact CD2-CG 4.01Å; L105-M214 HydrophobicContact CD2-SD 3.89Å; L109-M214 HydrophobicContact CD1-CG 4.15Å; L109-M214 HydrophobicContact CD2-CB 4.49Å; L109-M214 HydrophobicContact CD2-CG 4.3Å; L114-M214 HydrophobicContact CD1-CB 4.1Å; L114-M214 HydrophobicContact CD1-CG 4.02Å; L114-M214 HydrophobicContact CD1-SD 4.18Å; T119-M214 HydrophobicContact CG2-CB 3.87Å; T119-M214 HydrophobicContact CG2-CE 4.2Å; T119-M214 HydrophobicContact CG2-SD 4.45Å; F122-M214 HydrophobicContact CB-SD 4.02Å; F122-M214 HydrophobicContact CD2-SD 4.46Å; L123-M214 HydrophobicContact CB-CE 3.89Å; L123-M214 HydrophobicContact CD1-CE 4.04Å; L123-M214 HydrophobicContact CG-CE 4.49Å; I210-M214 HydrophobicContact CG2-CE 4.37Å; I210-M214 WeakPolarHBondContact O-CG 3.37Å; I210-M214 PolarHBondContact O-N 3.39Å; F211-M214 HydrophobicContact CB-CE 4.49Å; F211-M214 HydrophobicContact CD2-CE 4.25Å; F211-M214 PolarHBondContact O-N 3.13Å; F211-M214 VanDerWaalsContact O-N 3.11Å; M214-N216 PolarHBondContact O-N 3.28Å
215	L	98	Very high	96.9	Very high	38 Å²	38	37.4 Å²	37.4	20%	0.199	17%	0.172	C	C	.	.	H	α-helix	trans	-71	-26	-178.2	-66	173.8	0	0	0	114.3	T119 F211 E213 Y272 T279 L283	T119-L215 HydrophobicContact CG2-CD2 4.2Å; F211-L215 HydrophobicContact CD2-CD1 4.38Å; F211-L215 HydrophobicContact CD2-CG 4.23Å; F211-L215 HydrophobicContact CE2-CD1 4.21Å; F211-L215 HydrophobicContact CE2-CD2 3.99Å; F211-L215 HydrophobicContact CE2-CG 4.13Å; F211-L215 HydrophobicContact CZ-CD1 4.44Å; F211-L215 WeakPolarHBondContact O-CG 3.37Å; F211-L215 PolarHBondContact O-N 2.96Å; E213-L215 VanDerWaalsContact C-N 3.26Å; E213-L215 PolarHBondContact O-N 2.95Å; L215-Y272 HydrophobicContact CB-CD1 3.64Å; L215-Y272 HydrophobicContact CB-CE1 3.67Å; L215-Y272 HydrophobicContact CD1-CD1 4.05Å; L215-Y272 HydrophobicContact CD1-CE1 4.24Å; L215-Y272 HydrophobicContact CD1-CG 4.22Å; L215-T279 HydrophobicContact CD1-CG2 3.77Å; L215-T279 HydrophobicContact CD2-CG2 3.76Å; L215-T279 HydrophobicContact CG-CG2 4.43Å; L215-L283 HydrophobicContact CD1-CD2 4.31Å
216	N	95.4	Very high	96.4	Very high	57 Å²	57	41 Å²	41	31%	0.305	19%	0.186	S	C	.	.	H	α-helix	trans	-141.6	6.9	-176	72.9	6.2	0	0	0	115.2	G212 E213 M214 R218 Y272	G212-N216 PolarHBondContact O-OD1 3.32Å; E213-N216 PolarHBondContact O-N 3.47Å; M214-N216 PolarHBondContact O-N 3.28Å; N216-R218 PolarHBondContact O-N 3.09Å; N216-R218 PolarHBondContact OD1-N 2.89Å; N216-R218 PolarHBondContact OD1-O 3.41Å; N216-R218 VanDerWaalsContact OD1-O 3.12Å; N216-Y272 HydrophobicContact CB-CD1 4.3Å; N216-Y272 HydrophobicContact CB-CE1 3.97Å; N216-Y272 VanDerWaalsContact ND2-CE1 3.28Å; N216-Y272 WeakPolarHBondContact ND2-CE1 3.3Å
217	R	96.7	Very high	96	Very high	105 Å²	105	44.5 Å²	44.5	40%	0.396	21%	0.208	S	C	.	.	S	Bend	trans	61.2	20.9	179.3	-53.9	-178.4	-69.2	159.9	-13.1	114.9	L109 Q112 E213	L109-R217 HydrophobicContact CD2-CG 4.32Å; L109-R217 WeakPolarHBondContact O-CB 3.44Å; L109-R217 VanDerWaalsContact O-CD 3.29Å; L109-R217 WeakPolarHBondContact O-CD 3.43Å; Q112-R217 WeakPolarHBondContact O-CD 3.48Å; E213-R217 WeakPolarHBondContact O-CA 3.41Å; E213-R217 PolarHBondContact O-N 2.99Å
218	R	96.6	Very high	95.8	Very high	184 Å²	184	47 Å²	47	69%	0.694	22%	0.219	S	C	*	.	S	Bend	trans	-130	133.6	-179.2	-65.2	-179.2	-176.9	-177.3	1.7	110.5	N216 L220	N216-R218 PolarHBondContact O-N 3.09Å; N216-R218 PolarHBondContact OD1-N 2.89Å; N216-R218 PolarHBondContact OD1-O 3.41Å; N216-R218 VanDerWaalsContact OD1-O 3.12Å; R218-L220 PolarHBondContact O-N 2.84Å
219	P	97.5	Very high	95.5	Very high	36 Å²	36	47 Å²	47	23%	0.234	22%	0.219	C	C	.	.			trans	-55.1	129.4	174	-24.1	31.9	0	0	0	110.5	W185 E213 P222	W185-P219 HydrophobicContact CD2-CB 4.31Å; W185-P219 HydrophobicContact CE3-CB 3.71Å; W185-P219 HydrophobicContact CE3-CG 3.64Å; W185-P219 HydrophobicContact CZ3-CB 4.17Å; W185-P219 HydrophobicContact CZ3-CG 3.6Å; E213-P219 WeakPolarHBondContact OE2-CA 3.38Å; P219-P222 HydrophobicContact CB-CB 4.3Å; P219-P222 WeakPolarHBondContact O-CD 3.33Å
220	L	97.1	Very high	95.2	Very high	27 Å²	27	47.4 Å²	47.4	14%	0.141	22%	0.221	C	C	.	.	S	Bend	trans	-68.1	-38.3	-174.9	179.5	56.7	0	0	0	112.4	R218 W268 L287	R218-L220 PolarHBondContact O-N 2.84Å; L220-W268 HydrophobicContact CD1-CZ3 4.15Å; L220-W268 HydrophobicContact CD2-CH2 4Å; L220-W268 HydrophobicContact CD2-CZ3 3.88Å; L220-L287 HydrophobicContact CD2-CD1 3.44Å; L220-L287 VanDerWaalsContact CD2-CD1 3.44Å
221	F	97.4	Very high	95	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	24%	0.236	C	C	.	.			trans	-130	76.7	-178	-52.9	-61.8	0	0	0	111.5	W185 W205 G223 Q229 L232 I233 V236 W268 L287	W185-F221 WeakPolarHBondContact CA-O 3.3Å; W185-F221 WeakPolarHBondContact CB-O 3.23Å; W205-F221 HydrophobicContact CH2-CE2 4.23Å; W205-F221 HydrophobicContact CZ2-CD2 4.12Å; W205-F221 AromaticContact CZ2-CE2 3.7Å; W205-F221 HydrophobicContact CZ2-CE2 3.7Å; W205-F221 HydrophobicContact CZ2-CZ 4.46Å; F221-G223 VanDerWaalsContact C-N 3.3Å; F221-G223 PolarHBondContact O-N 3.4Å; F221-Q229 VanDerWaalsContact CB-NE2 3.27Å; F221-Q229 PolarHBondContact O-NE2 3.32Å; F221-Q229 PolarHBondContact O-OE1 2.82Å; F221-L232 HydrophobicContact CB-CB 4.36Å; F221-L232 HydrophobicContact CD1-CB 4.11Å; F221-I233 HydrophobicContact CB-CG1 4.21Å; F221-I233 HydrophobicContact CD1-CG1 3.94Å; F221-I233 HydrophobicContact CD2-CG1 3.9Å; F221-I233 HydrophobicContact CE1-CB 4.49Å; F221-I233 HydrophobicContact CE1-CG1 4.25Å; F221-I233 HydrophobicContact CE2-CG1 4.21Å; F221-I233 HydrophobicContact CG-CG1 3.75Å; F221-I233 HydrophobicContact CZ-CG1 4.37Å; F221-V236 HydrophobicContact CE1-CB 3.92Å; F221-V236 HydrophobicContact CE1-CG1 4.48Å; F221-V236 HydrophobicContact CE1-CG2 3.85Å; F221-V236 HydrophobicContact CZ-CB 4.47Å; F221-W268 HydrophobicContact CZ-CH2 4.33Å; F221-L287 HydrophobicContact CE2-CD2 4.41Å
222	P	96.5	Very high	94.9	Very high	58 Å²	58	52.7 Å²	52.7	38%	0.377	25%	0.251	S	S	.	.			trans	-83.1	56	-174.6	33.7	-36.5	0	0	0	114.1	W185 P219 L232	W185-P222 VanDerWaalsContact CD1-CA 3.45Å; W185-P222 HydrophobicContact CD2-CB 4.35Å; W185-P222 HydrophobicContact CZ2-CB 4.38Å; P219-P222 HydrophobicContact CB-CB 4.3Å; P219-P222 WeakPolarHBondContact O-CD 3.33Å; P222-L232 HydrophobicContact CG-CD1 4.47Å
223	G	94.9	Very high	94.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.251	C	S	.	.			trans	-74.9	133.4	-176.3	0	0	0	0	0	114.9	R184 W185 F221 Q229	R184-G223 PolarHBondContact NH1-O 3.07Å; W185-G223 PolarHBondContact NE1-O 3.38Å; F221-G223 VanDerWaalsContact C-N 3.3Å; F221-G223 PolarHBondContact O-N 3.4Å; G223-Q229 VanDerWaalsContact CA-OE1 3.24Å
224	K	91.2	Very high	94.7	Very high	163 Å²	163	52.4 Å²	52.4	71%	0.709	25%	0.25	S	C	*	.	S	Bend	trans	-82.8	-17.7	-178	-53.4	165.8	-175.8	167.5	0	113.9	R184 E228	R184-K224 PolarHBondContact NH1-O 3.24Å; R184-K224 PolarHBondContact NH2-O 3.31Å; K224-E228 WeakPolarHBondContact CA-OE2 3.05Å; K224-E228 WeakPolarHBondContact CB-OE2 3.26Å; K224-E228 WeakPolarHBondContact CD-OE2 3.35Å; K224-E228 WeakPolarHBondContact CG-OE2 3.16Å; K224-E228 PolarHBondContact N-OE2 2.83Å
225	H	88.5	Confident	94.5	Very high	99 Å²	99	53.3 Å²	53.3	46%	0.458	26%	0.26	S	S	.	.	S	Bend	trans	-150.3	171.2	169.6	51.5	77.2	0	0	0	110.7	R184 V227 E228 Q229	R184-H225 VanDerWaalsContact CZ-CA 3.5Å; H225-V227 VanDerWaalsContact C-N 3.32Å; H225-V227 PolarHBondContact O-N 2.74Å; H225-E228 PolarHBondContact CE1-N 3.44Å; H225-E228 PolarHBondContact ND1-N 3.48Å; H225-E228 PolarHBondContact O-N 3.43Å; H225-E228 VanDerWaalsContact O-N 3.11Å; H225-Q229 PolarHBondContact O-N 3.49Å
226	Y	87.5	Confident	94.4	Very high	75 Å²	75	52.3 Å²	52.3	29%	0.294	26%	0.255	S	S	.	.	H	α-helix	trans	-54.7	-44.5	-174.3	-69.2	-50.6	0	0	0	113.7	L177 R187 M192 E228 Q229 L230	L177-Y226 PolarHBondContact O-OH 2.88Å; R187-Y226 PolarHBondContact NH1-OH 3.29Å; M192-Y226 HydrophobicContact CG-CD1 3.76Å; M192-Y226 HydrophobicContact CG-CE1 4.4Å; M192-Y226 HydrophobicContact CG-CG 4.45Å; M192-Y226 HydrophobicContact SD-CD1 4.11Å; Y226-E228 PolarHBondContact O-N 3.39Å; Y226-Q229 PolarHBondContact O-N 2.7Å; Y226-L230 WeakPolarHBondContact O-CB 3.48Å; Y226-L230 PolarHBondContact O-N 3.26Å
227	V	90.1	Very high	94.4	Very high	80 Å²	80	50 Å²	50	49%	0.485	24%	0.243	S	C	.	.	H	α-helix	trans	-62.1	-42.2	178.4	174.6	0	0	0	0	112.2	H225 T231 F256	H225-V227 VanDerWaalsContact C-N 3.32Å; H225-V227 PolarHBondContact O-N 2.74Å; V227-T231 WeakPolarHBondContact O-CB 3.35Å; V227-T231 PolarHBondContact O-N 3.18Å; V227-T231 PolarHBondContact O-OG1 3.26Å; V227-F256 HydrophobicContact CG1-CE2 3.63Å; V227-F256 HydrophobicContact CG1-CZ 3.92Å
228	E	93.2	Very high	94.2	Very high	53 Å²	53	45 Å²	45	25%	0.248	23%	0.225	C	C	.	.	H	α-helix	trans	-71.8	-39.8	178.5	-173.1	-179.2	-157.6	0	0	111.2	K224 H225 Y226 L230 T231 L232	K224-E228 WeakPolarHBondContact CA-OE2 3.05Å; K224-E228 WeakPolarHBondContact CB-OE2 3.26Å; K224-E228 WeakPolarHBondContact CD-OE2 3.35Å; K224-E228 WeakPolarHBondContact CG-OE2 3.16Å; K224-E228 PolarHBondContact N-OE2 2.83Å; H225-E228 PolarHBondContact CE1-N 3.44Å; H225-E228 PolarHBondContact ND1-N 3.48Å; H225-E228 PolarHBondContact O-N 3.43Å; H225-E228 VanDerWaalsContact O-N 3.11Å; Y226-E228 PolarHBondContact O-N 3.39Å; E228-L230 VanDerWaalsContact C-N 3.34Å; E228-L230 PolarHBondContact O-N 2.87Å; E228-T231 WeakPolarHBondContact O-CB 3.46Å; E228-T231 PolarHBondContact O-N 3.06Å; E228-T231 VanDerWaalsContact O-N 3.17Å; E228-L232 HydrophobicContact CG-CD1 4.31Å; E228-L232 WeakPolarHBondContact O-CG 3.5Å; E228-L232 PolarHBondContact O-N 3.4Å
229	Q	94.1	Very high	93.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-55.4	-51.6	174.8	-175.8	65.7	23.7	0	0	111	R184 W185 M192 F221 G223 H225 Y226 T231 L232 I233	R184-Q229 HydrophobicContact CG-CB 4.14Å; R184-Q229 HydrophobicContact CG-CG 4.08Å; R184-Q229 PolarHBondContact O-NE2 3.2Å; W185-Q229 PolarHBondContact O-NE2 2.97Å; M192-Q229 HydrophobicContact CE-CB 4.48Å; M192-Q229 HydrophobicContact CE-CG 3.68Å; M192-Q229 HydrophobicContact SD-CB 3.85Å; M192-Q229 HydrophobicContact SD-CG 3.7Å; F221-Q229 VanDerWaalsContact CB-NE2 3.27Å; F221-Q229 PolarHBondContact O-NE2 3.32Å; F221-Q229 PolarHBondContact O-OE1 2.82Å; G223-Q229 VanDerWaalsContact CA-OE1 3.24Å; H225-Q229 PolarHBondContact O-N 3.49Å; Y226-Q229 PolarHBondContact O-N 2.7Å; Q229-T231 VanDerWaalsContact C-N 3.31Å; Q229-T231 PolarHBondContact O-N 3.38Å; Q229-L232 PolarHBondContact O-N 3.14Å; Q229-I233 HydrophobicContact CG-CD1 4.19Å; Q229-I233 WeakPolarHBondContact O-CG1 3.26Å; Q229-I233 PolarHBondContact O-N 2.78Å; Q229-I233 VanDerWaalsContact O-N 3.08Å
230	L	92.4	Very high	93.2	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.052	20%	0.195	C	C	.	.	H	α-helix	trans	-66.3	-35.1	179.1	-173.5	62.3	0	0	0	112.2	P189 M192 L193 Y226 E228 I233 L234 F256	P189-L230 HydrophobicContact CB-CD1 4.21Å; M192-L230 HydrophobicContact SD-CB 4.33Å; L193-L230 HydrophobicContact CD1-CD1 3.94Å; L193-L230 HydrophobicContact CD1-CD2 4.43Å; L193-L230 HydrophobicContact CD2-CD2 3.54Å; L193-L230 HydrophobicContact CG-CD1 4.18Å; L193-L230 HydrophobicContact CG-CD2 3.99Å; Y226-L230 WeakPolarHBondContact O-CB 3.48Å; Y226-L230 PolarHBondContact O-N 3.26Å; E228-L230 VanDerWaalsContact C-N 3.34Å; E228-L230 PolarHBondContact O-N 2.87Å; L230-I233 PolarHBondContact O-N 3Å; L230-L234 HydrophobicContact CD1-CD1 4.19Å; L230-L234 HydrophobicContact CD1-CG 4.21Å; L230-L234 HydrophobicContact CG-CD1 3.95Å; L230-L234 HydrophobicContact CG-CG 4.37Å; L230-L234 WeakPolarHBondContact O-CB 3.38Å; L230-L234 WeakPolarHBondContact O-CG 3.02Å; L230-L234 PolarHBondContact O-N 3.29Å; L230-F256 HydrophobicContact CB-CE1 4.06Å; L230-F256 HydrophobicContact CD2-CD1 3.38Å; L230-F256 HydrophobicContact CD2-CE1 3.47Å; L230-F256 VanDerWaalsContact CD2-CE1 3.47Å; L230-F256 HydrophobicContact CD2-CG 4.39Å; L230-F256 HydrophobicContact CG-CD1 4.05Å; L230-F256 HydrophobicContact CG-CE1 3.67Å
231	T	94.8	Very high	92.7	Very high	53 Å²	53	38 Å²	38	33%	0.325	21%	0.206	S	C	.	.	H	α-helix	trans	-60	-44.4	173.3	-62.8	0	0	0	0	111.9	V227 E228 Q229 G235 F256 F260	V227-T231 WeakPolarHBondContact O-CB 3.35Å; V227-T231 PolarHBondContact O-N 3.18Å; V227-T231 PolarHBondContact O-OG1 3.26Å; E228-T231 WeakPolarHBondContact O-CB 3.46Å; E228-T231 PolarHBondContact O-N 3.06Å; E228-T231 VanDerWaalsContact O-N 3.17Å; Q229-T231 VanDerWaalsContact C-N 3.31Å; Q229-T231 PolarHBondContact O-N 3.38Å; T231-G235 WeakPolarHBondContact O-CA 3.5Å; T231-G235 PolarHBondContact O-N 2.74Å; T231-F256 WeakPolarHBondContact OG1-CZ 3.12Å; T231-F260 HydrophobicContact CG2-CE1 4.13Å; T231-F260 HydrophobicContact CG2-CZ 3.84Å
232	L	96.7	Very high	92	Very high	58 Å²	58	48.2 Å²	48.2	30%	0.304	25%	0.245	S	C	.	.	H	α-helix	trans	-64.9	-43.3	178.5	-69.6	166.7	0	0	0	111.2	F221 P222 E228 Q229 G235 V236	F221-L232 HydrophobicContact CB-CB 4.36Å; F221-L232 HydrophobicContact CD1-CB 4.11Å; P222-L232 HydrophobicContact CG-CD1 4.47Å; E228-L232 HydrophobicContact CG-CD1 4.31Å; E228-L232 WeakPolarHBondContact O-CG 3.5Å; E228-L232 PolarHBondContact O-N 3.4Å; Q229-L232 PolarHBondContact O-N 3.14Å; L232-G235 PolarHBondContact O-N 3.15Å; L232-V236 PolarHBondContact O-N 2.81Å
233	I	96.4	Very high	91.5	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.7	-56.3	177.2	-67.9	169.7	0	0	0	110.8	M192 W205 F221 Q229 L230 G235 V236 L237	M192-I233 HydrophobicContact CE-CD1 3.96Å; W205-I233 HydrophobicContact CH2-CD1 4.49Å; W205-I233 HydrophobicContact CH2-CG1 4.44Å; W205-I233 HydrophobicContact CH2-CG2 3.62Å; W205-I233 HydrophobicContact CZ2-CD1 3.73Å; W205-I233 HydrophobicContact CZ2-CG1 3.87Å; W205-I233 HydrophobicContact CZ2-CG2 3.92Å; F221-I233 HydrophobicContact CB-CG1 4.21Å; F221-I233 HydrophobicContact CD1-CG1 3.94Å; F221-I233 HydrophobicContact CD2-CG1 3.9Å; F221-I233 HydrophobicContact CE1-CB 4.49Å; F221-I233 HydrophobicContact CE1-CG1 4.25Å; F221-I233 HydrophobicContact CE2-CG1 4.21Å; F221-I233 HydrophobicContact CG-CG1 3.75Å; F221-I233 HydrophobicContact CZ-CG1 4.37Å; Q229-I233 HydrophobicContact CG-CD1 4.19Å; Q229-I233 WeakPolarHBondContact O-CG1 3.26Å; Q229-I233 PolarHBondContact O-N 2.78Å; Q229-I233 VanDerWaalsContact O-N 3.08Å; L230-I233 PolarHBondContact O-N 3Å; I233-G235 PolarHBondContact O-N 2.78Å; I233-V236 PolarHBondContact O-N 3.45Å; I233-V236 VanDerWaalsContact O-N 3.1Å; I233-L237 HydrophobicContact CG2-CD1 3.91Å; I233-L237 HydrophobicContact CG2-CG 4.3Å; I233-L237 PolarHBondContact O-N 3.45Å
234	L	95.1	Very high	91	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66.8	-26.5	-179.6	-64.9	174.2	0	0	0	112.4	L230 V236 G238 P240 F256 V257 F260 F289	L230-L234 HydrophobicContact CD1-CD1 4.19Å; L230-L234 HydrophobicContact CD1-CG 4.21Å; L230-L234 HydrophobicContact CG-CD1 3.95Å; L230-L234 HydrophobicContact CG-CG 4.37Å; L230-L234 WeakPolarHBondContact O-CB 3.38Å; L230-L234 WeakPolarHBondContact O-CG 3.02Å; L230-L234 PolarHBondContact O-N 3.29Å; L234-V236 PolarHBondContact O-N 3.11Å; L234-G238 CarbonylContact O-C 3.6Å; L234-G238 VanDerWaalsContact O-CA 3.28Å; L234-G238 WeakPolarHBondContact O-CA 3.45Å; L234-G238 PolarHBondContact O-N 3.32Å; L234-P240 HydrophobicContact CD2-CG 4.45Å; L234-F256 HydrophobicContact CD1-CD1 4.26Å; L234-F256 HydrophobicContact CD1-CE1 4.08Å; L234-V257 HydrophobicContact CD1-CG2 4.13Å; L234-F260 HydrophobicContact CB-CB 4.27Å; L234-F260 HydrophobicContact CB-CD1 3.59Å; L234-F260 HydrophobicContact CB-CD2 4.16Å; L234-F260 HydrophobicContact CB-CE1 3.94Å; L234-F260 HydrophobicContact CB-CE2 4.47Å; L234-F260 HydrophobicContact CB-CG 3.74Å; L234-F260 HydrophobicContact CB-CZ 4.38Å; L234-F260 HydrophobicContact CD1-CD2 3.63Å; L234-F260 HydrophobicContact CD1-CE2 3.94Å; L234-F260 HydrophobicContact CD1-CG 4.01Å; L234-F289 HydrophobicContact CD2-CD2 4.37Å; L234-F289 HydrophobicContact CD2-CE2 3.84Å
235	G	95.3	Very high	90.6	Very high	22 Å²	22	48.5 Å²	48.5	23%	0.227	25%	0.245	C	C	.	.	H	α-helix	trans	-68.9	-17.7	174	0	0	0	0	0	114.3	T231 L232 I233 K266	T231-G235 WeakPolarHBondContact O-CA 3.5Å; T231-G235 PolarHBondContact O-N 2.74Å; L232-G235 PolarHBondContact O-N 3.15Å; I233-G235 PolarHBondContact O-N 2.78Å; G235-K266 WeakPolarHBondContact O-CE 3.34Å
236	V	96	Very high	90.3	Very high	17 Å²	17	49.3 Å²	49.3	10%	0.103	26%	0.257	C	S	.	.	H	α-helix	trans	-102.7	-51.7	173.3	173.8	0	0	0	0	110.8	F221 L232 I233 L234 G238 K266 W268 I271	F221-V236 HydrophobicContact CE1-CB 3.92Å; F221-V236 HydrophobicContact CE1-CG1 4.48Å; F221-V236 HydrophobicContact CE1-CG2 3.85Å; F221-V236 HydrophobicContact CZ-CB 4.47Å; L232-V236 PolarHBondContact O-N 2.81Å; I233-V236 PolarHBondContact O-N 3.45Å; I233-V236 VanDerWaalsContact O-N 3.1Å; L234-V236 PolarHBondContact O-N 3.11Å; V236-G238 PolarHBondContact O-N 2.91Å; V236-K266 PolarHBondContact O-N 3.45Å; V236-W268 HydrophobicContact CG1-CE3 4.31Å; V236-W268 HydrophobicContact CG1-CH2 3.51Å; V236-W268 HydrophobicContact CG1-CZ2 4.27Å; V236-W268 HydrophobicContact CG1-CZ3 3.55Å; V236-I271 HydrophobicContact CG1-CD1 3.59Å; V236-I271 HydrophobicContact CG2-CD1 4.35Å
237	L	95	Very high	90.1	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-71.1	-15.7	-176.3	-62.4	-169	0	0	0	113.6	W205 I233 R265 W268 F289	W205-L237 HydrophobicContact CH2-CD1 3.68Å; W205-L237 HydrophobicContact CZ3-CD1 3.89Å; I233-L237 HydrophobicContact CG2-CD1 3.91Å; I233-L237 HydrophobicContact CG2-CG 4.3Å; I233-L237 PolarHBondContact O-N 3.45Å; L237-R265 WeakPolarHBondContact O-CB 3.37Å; L237-R265 WeakPolarHBondContact O-CG 3.41Å; L237-R265 PolarHBondContact O-NH1 3.44Å; L237-W268 HydrophobicContact CD2-CH2 3.99Å; L237-W268 HydrophobicContact CD2-CZ2 3.51Å; L237-F289 HydrophobicContact CD1-CB 4.11Å; L237-F289 HydrophobicContact CD1-CD2 4.36Å
238	G	91.9	Very high	89.8	Confident	2 Å²	2	43.6 Å²	43.6	2%	0.021	23%	0.226	C	C	.	.			trans	76	-172.3	-171.4	0	0	0	0	0	112	L234 V236 N263	L234-G238 CarbonylContact O-C 3.6Å; L234-G238 VanDerWaalsContact O-CA 3.28Å; L234-G238 WeakPolarHBondContact O-CA 3.45Å; L234-G238 PolarHBondContact O-N 3.32Å; V236-G238 PolarHBondContact O-N 2.91Å; G238-N263 WeakPolarHBondContact CA-O 3.35Å
239	S	86.8	Confident	89.1	Confident	34 Å²	34	44.8 Å²	44.8	24%	0.238	24%	0.237	C	C	.	.	S	Bend	trans	-68.4	127.9	170.9	-157.9	0	0	0	0	110.5	F260 K261 N263	S239-F260 VanDerWaalsContact CB-O 3.31Å; S239-F260 WeakPolarHBondContact CB-O 3.43Å; S239-K261 WeakPolarHBondContact OG-CA 3.37Å; S239-N263 PolarHBondContact N-O 2.85Å
240	P	86.5	Confident	88.5	Confident	12 Å²	12	48.6 Å²	48.6	8%	0.078	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-62.5	147.8	170.6	26.5	-33.6	0	0	0	110.3	L234 D244 Q245 V257 F289	L234-P240 HydrophobicContact CD2-CG 4.45Å; P240-D244 HydrophobicContact CB-CB 3.95Å; P240-Q245 HydrophobicContact CB-CG 4.15Å; P240-Q245 HydrophobicContact CG-CG 3.73Å; P240-Q245 PolarHBondContact O-NE2 2.77Å; P240-V257 HydrophobicContact CG-CG1 3.4Å; P240-F289 HydrophobicContact CB-CD1 3.43Å; P240-F289 VanDerWaalsContact CB-CD1 3.43Å; P240-F289 HydrophobicContact CB-CE1 3.52Å; P240-F289 HydrophobicContact CB-CG 3.98Å; P240-F289 HydrophobicContact CB-CZ 4.15Å; P240-F289 HydrophobicContact CG-CD1 4.01Å; P240-F289 HydrophobicContact CG-CE1 3.59Å; P240-F289 HydrophobicContact CG-CE2 4.34Å; P240-F289 HydrophobicContact CG-CZ 3.78Å
241	S	86.1	Confident	88.1	Confident	52 Å²	52	53.3 Å²	53.3	36%	0.364	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-59.6	162.6	175.8	75.1	0	0	0	0	111.1	E243 D244 Q245	S241-E243 PolarHBondContact O-N 2.99Å; S241-E243 PolarHBondContact OG-N 2.87Å; S241-D244 CarbonylContact O-C 3.58Å; S241-D244 PolarHBondContact O-N 2.96Å; S241-D244 VanDerWaalsContact O-N 3.13Å; S241-D244 WeakPolarHBondContact OG-CB 3.3Å; S241-D244 PolarHBondContact OG-N 3.39Å; S241-D244 PolarHBondContact OG-OD2 2.86Å; S241-Q245 WeakPolarHBondContact O-CG 3.34Å; S241-Q245 PolarHBondContact O-N 2.98Å; S241-Q245 VanDerWaalsContact O-N 3.1Å
242	R	83.3	Confident	87.7	Confident	216 Å²	216	59.2 Å²	59.2	82%	0.815	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-36.4	174.8	-78.4	-175.8	173	176.4	-3.1	112	Q245 V246	R242-Q245 PolarHBondContact O-N 2.95Å; R242-V246 WeakPolarHBondContact O-CG2 3.1Å
243	E	84.8	Confident	87.2	Confident	159 Å²	159	57.2 Å²	57.2	74%	0.743	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-64.8	-41.1	176.5	-65.9	173.1	-168.4	0	0	111	S241 Q245 V246	S241-E243 PolarHBondContact O-N 2.99Å; S241-E243 PolarHBondContact OG-N 2.87Å; E243-Q245 PolarHBondContact O-N 3.05Å; E243-V246 WeakPolarHBondContact O-CB 3.36Å; E243-V246 VanDerWaalsContact O-CG2 3.27Å; E243-V246 WeakPolarHBondContact O-CG2 3.46Å; E243-V246 PolarHBondContact O-N 3.31Å
244	D	84.8	Confident	86.7	Confident	44 Å²	44	61.1 Å²	61.1	24%	0.235	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-74.3	-8	176.4	-66.2	-44.8	0	0	0	114.3	P240 S241 W247 F289 N290	P240-D244 HydrophobicContact CB-CB 3.95Å; S241-D244 CarbonylContact O-C 3.58Å; S241-D244 PolarHBondContact O-N 2.96Å; S241-D244 VanDerWaalsContact O-N 3.13Å; S241-D244 WeakPolarHBondContact OG-CB 3.3Å; S241-D244 PolarHBondContact OG-N 3.39Å; S241-D244 PolarHBondContact OG-OD2 2.86Å; D244-W247 VanDerWaalsContact O-CD1 3.23Å; D244-W247 PolarHBondContact O-NE1 3.43Å; D244-F289 HydrophobicContact CB-CD1 4.26Å; D244-N290 HydrophobicContact CB-CB 4.07Å; D244-N290 WeakPolarHBondContact OD1-CB 3.47Å; D244-N290 PolarHBondContact OD1-ND2 3.33Å
245	Q	83.3	Confident	86.4	Confident	25 Å²	25	64.2 Å²	64.2	12%	0.117	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-95.6	-9	174.9	-70	177.9	40.7	0	0	112.9	P240 S241 R242 E243 W247 I248 V257	P240-Q245 HydrophobicContact CB-CG 4.15Å; P240-Q245 HydrophobicContact CG-CG 3.73Å; P240-Q245 PolarHBondContact O-NE2 2.77Å; S241-Q245 WeakPolarHBondContact O-CG 3.34Å; S241-Q245 PolarHBondContact O-N 2.98Å; S241-Q245 VanDerWaalsContact O-N 3.1Å; R242-Q245 PolarHBondContact O-N 2.95Å; E243-Q245 PolarHBondContact O-N 3.05Å; Q245-W247 PolarHBondContact O-N 2.75Å; Q245-W247 VanDerWaalsContact O-N 3.13Å; Q245-I248 HydrophobicContact CB-CD1 4.34Å; Q245-I248 HydrophobicContact CG-CD1 4.26Å; Q245-I248 WeakPolarHBondContact O-CB 3.36Å; Q245-I248 PolarHBondContact O-N 3.5Å; Q245-V257 HydrophobicContact CG-CG1 4.33Å
246	V	82.2	Confident	86	Confident	116 Å²	116	64.9 Å²	64.9	70%	0.703	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.6	-173	173.8	0	0	0	0	112.6	R242 E243 I248	R242-V246 WeakPolarHBondContact O-CG2 3.1Å; E243-V246 WeakPolarHBondContact O-CB 3.36Å; E243-V246 VanDerWaalsContact O-CG2 3.27Å; E243-V246 WeakPolarHBondContact O-CG2 3.46Å; E243-V246 PolarHBondContact O-N 3.31Å; V246-I248 VanDerWaalsContact C-N 3.3Å; V246-I248 PolarHBondContact O-N 2.89Å
247	W	82.2	Confident	85.7	Confident	34 Å²	34	64 Å²	64	13%	0.129	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-12.9	178.7	61.9	-96	0	0	0	113.9	E190 L193 D244 Q245 V249 F289	E190-W247 HydrophobicContact CB-CE3 4.31Å; E190-W247 HydrophobicContact CB-CH2 3.66Å; E190-W247 HydrophobicContact CB-CZ2 4.47Å; E190-W247 HydrophobicContact CB-CZ3 3.57Å; L193-W247 HydrophobicContact CB-CH2 3.8Å; L193-W247 HydrophobicContact CB-CZ3 3.72Å; L193-W247 HydrophobicContact CD1-CH2 3.73Å; L193-W247 HydrophobicContact CD1-CZ2 4.45Å; L193-W247 HydrophobicContact CD1-CZ3 4.45Å; L193-W247 HydrophobicContact CG-CH2 4.43Å; D244-W247 VanDerWaalsContact O-CD1 3.23Å; D244-W247 PolarHBondContact O-NE1 3.43Å; Q245-W247 PolarHBondContact O-N 2.75Å; Q245-W247 VanDerWaalsContact O-N 3.13Å; W247-V249 PolarHBondContact O-N 2.78Å; W247-F289 AromaticContact CE2-CE1 3.97Å; W247-F289 HydrophobicContact CH2-CE1 4.31Å; W247-F289 HydrophobicContact CH2-CZ 4.23Å; W247-F289 AromaticContact CZ2-CD1 3.96Å; W247-F289 HydrophobicContact CZ2-CD1 3.96Å; W247-F289 AromaticContact CZ2-CE1 3.37Å; W247-F289 HydrophobicContact CZ2-CE1 3.37Å; W247-F289 AromaticContact CZ2-CZ 3.7Å; W247-F289 HydrophobicContact CZ2-CZ 3.7Å
248	I	83.8	Confident	85.4	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.344	C	S	.	.			trans	-80.7	98.7	178.4	-53.3	174.2	0	0	0	108.9	L193 Q245 V246 A253 R254 V257 F289	L193-I248 HydrophobicContact CD1-CD1 4.01Å; Q245-I248 HydrophobicContact CB-CD1 4.34Å; Q245-I248 HydrophobicContact CG-CD1 4.26Å; Q245-I248 WeakPolarHBondContact O-CB 3.36Å; Q245-I248 PolarHBondContact O-N 3.5Å; V246-I248 VanDerWaalsContact C-N 3.3Å; V246-I248 PolarHBondContact O-N 2.89Å; I248-A253 HydrophobicContact CG2-CB 3.79Å; I248-R254 HydrophobicContact CG2-CB 4.34Å; I248-R254 PolarHBondContact O-NH2 3.33Å; I248-V257 HydrophobicContact CD1-CG2 4.04Å; I248-F289 HydrophobicContact CD1-CE1 4.21Å; I248-F289 HydrophobicContact CD1-CZ 4.12Å
249	V	78.9	Confident	85.3	Confident	79 Å²	79	76.2 Å²	76.2	48%	0.479	38%	0.377	S	S	.	.			trans	-78.8	-36.6	-177.3	-174.9	0	0	0	0	112.2	W247 D251	W247-V249 PolarHBondContact O-N 2.78Å; V249-D251 PolarHBondContact O-N 2.88Å
250	N	82.7	Confident	85.4	Confident	80 Å²	80	75.7 Å²	75.7	43%	0.428	37%	0.37	S	S	.	.			trans	-77.3	122.6	-173	-176.1	-42.5	0	0	0	112.2	K252 A253 R254	N250-K252 VanDerWaalsContact C-N 3.33Å; N250-K252 PolarHBondContact O-N 3.02Å; N250-K252 WeakPolarHBondContact OD1-CB 3.37Å; N250-K252 PolarHBondContact OD1-N 2.74Å; N250-A253 HydrophobicContact CB-CB 3.9Å; N250-A253 WeakPolarHBondContact O-CB 3.41Å; N250-A253 PolarHBondContact O-N 2.87Å; N250-A253 VanDerWaalsContact O-N 3.09Å; N250-A253 PolarHBondContact OD1-N 2.86Å; N250-R254 PolarHBondContact O-N 3.38Å
251	D	84.4	Confident	85.3	Confident	109 Å²	109	81.9 Å²	81.9	58%	0.583	40%	0.396	S	S	*	.	H	α-helix	trans	-62.4	-33.7	-178.1	-68.6	-35.7	0	0	0	114	V249 A253 R254 S255	V249-D251 PolarHBondContact O-N 2.88Å; D251-A253 VanDerWaalsContact C-N 3.32Å; D251-R254 PolarHBondContact O-N 3.08Å; D251-R254 IonicContact OD1-NH1 3.27Å; D251-R254 PolarHBondContact OD1-NH1 2.93Å; D251-S255 VanDerWaalsContact O-CB 3.31Å; D251-S255 WeakPolarHBondContact O-CB 3.31Å; D251-S255 PolarHBondContact O-N 3.19Å; D251-S255 PolarHBondContact O-OG 2.88Å
252	K	85.2	Confident	85.4	Confident	177 Å²	177	86.4 Å²	86.4	77%	0.77	42%	0.416	S	S	*	.	H	α-helix	trans	-66.8	-38.8	175.4	-65.3	-178	179.2	176.8	0	110.9	N250 F256	N250-K252 VanDerWaalsContact C-N 3.33Å; N250-K252 PolarHBondContact O-N 3.02Å; N250-K252 WeakPolarHBondContact OD1-CB 3.37Å; N250-K252 PolarHBondContact OD1-N 2.74Å; K252-F256 PolarHBondContact O-N 3.16Å
253	A	85.5	Confident	85.7	Confident	15 Å²	15	79.4 Å²	79.4	12%	0.124	40%	0.395	C	S	.	.	H	α-helix	trans	-66.9	-45.2	177.3	0	0	0	0	0	110.6	L193 I248 N250 D251 F256 V257	L193-A253 HydrophobicContact CD2-CB 3.66Å; I248-A253 HydrophobicContact CG2-CB 3.79Å; N250-A253 HydrophobicContact CB-CB 3.9Å; N250-A253 WeakPolarHBondContact O-CB 3.41Å; N250-A253 PolarHBondContact O-N 2.87Å; N250-A253 VanDerWaalsContact O-N 3.09Å; N250-A253 PolarHBondContact OD1-N 2.86Å; D251-A253 VanDerWaalsContact C-N 3.32Å; A253-F256 WeakPolarHBondContact O-CB 3.3Å; A253-F256 PolarHBondContact O-N 2.9Å; A253-V257 WeakPolarHBondContact O-CG2 3.49Å; A253-V257 PolarHBondContact O-N 2.92Å; A253-V257 VanDerWaalsContact O-N 3.09Å
254	R	86.6	Confident	86	Confident	83 Å²	83	76.9 Å²	76.9	31%	0.313	39%	0.392	S	S	.	.	H	α-helix	trans	-59.9	-48.5	173.8	-168.9	-178.9	-62	142.5	4.7	112	I248 N250 D251 F256 V257 E258	I248-R254 HydrophobicContact CG2-CB 4.34Å; I248-R254 PolarHBondContact O-NH2 3.33Å; N250-R254 PolarHBondContact O-N 3.38Å; D251-R254 PolarHBondContact O-N 3.08Å; D251-R254 IonicContact OD1-NH1 3.27Å; D251-R254 PolarHBondContact OD1-NH1 2.93Å; R254-F256 PolarHBondContact O-N 3.02Å; R254-V257 PolarHBondContact O-N 2.9Å; R254-V257 VanDerWaalsContact O-N 3.08Å; R254-E258 WeakPolarHBondContact O-CG 3.31Å; R254-E258 PolarHBondContact O-N 3.31Å
255	S	88.2	Confident	86.5	Confident	64 Å²	64	79.9 Å²	79.9	45%	0.448	40%	0.4	S	S	.	.	H	α-helix	trans	-58.7	-32.1	176.8	-58.4	0	0	0	0	112.7	D251	D251-S255 VanDerWaalsContact O-CB 3.31Å; D251-S255 WeakPolarHBondContact O-CB 3.31Å; D251-S255 PolarHBondContact O-N 3.19Å; D251-S255 PolarHBondContact O-OG 2.88Å
256	F	88.6	Confident	87.1	Confident	36 Å²	36	84 Å²	84	16%	0.158	42%	0.418	C	S	.	.	H	α-helix	trans	-69.6	-47.2	174.6	-176.7	-88.9	0	0	0	111.7	V227 L230 T231 L234 K252 A253 R254 E258 K259 F260	V227-F256 HydrophobicContact CG1-CE2 3.63Å; V227-F256 HydrophobicContact CG1-CZ 3.92Å; L230-F256 HydrophobicContact CB-CE1 4.06Å; L230-F256 HydrophobicContact CD2-CD1 3.38Å; L230-F256 HydrophobicContact CD2-CE1 3.47Å; L230-F256 VanDerWaalsContact CD2-CE1 3.47Å; L230-F256 HydrophobicContact CD2-CG 4.39Å; L230-F256 HydrophobicContact CG-CD1 4.05Å; L230-F256 HydrophobicContact CG-CE1 3.67Å; T231-F256 WeakPolarHBondContact OG1-CZ 3.12Å; L234-F256 HydrophobicContact CD1-CD1 4.26Å; L234-F256 HydrophobicContact CD1-CE1 4.08Å; K252-F256 PolarHBondContact O-N 3.16Å; A253-F256 WeakPolarHBondContact O-CB 3.3Å; A253-F256 PolarHBondContact O-N 2.9Å; R254-F256 PolarHBondContact O-N 3.02Å; F256-E258 VanDerWaalsContact C-N 3.29Å; F256-E258 PolarHBondContact O-N 2.86Å; F256-K259 WeakPolarHBondContact O-CB 3.3Å; F256-K259 PolarHBondContact O-N 3.43Å; F256-F260 HydrophobicContact CD1-CE2 4.31Å; F256-F260 AromaticContact CE1-CE2 3.69Å; F256-F260 HydrophobicContact CE1-CE2 3.69Å; F256-F260 HydrophobicContact CE1-CZ 4.37Å; F256-F260 AromaticContact CZ-CE2 3.9Å; F256-F260 HydrophobicContact CZ-CE2 3.9Å; F256-F260 HydrophobicContact CZ-CZ 4.35Å
257	V	89	Confident	87.7	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-61.7	-38.5	178.3	174.6	0	0	0	0	111.4	L193 L234 P240 Q245 I248 A253 R254 K259 F260	L193-V257 HydrophobicContact CD1-CG2 4.12Å; L193-V257 HydrophobicContact CD2-CG2 3.89Å; L234-V257 HydrophobicContact CD1-CG2 4.13Å; P240-V257 HydrophobicContact CG-CG1 3.4Å; Q245-V257 HydrophobicContact CG-CG1 4.33Å; I248-V257 HydrophobicContact CD1-CG2 4.04Å; A253-V257 WeakPolarHBondContact O-CG2 3.49Å; A253-V257 PolarHBondContact O-N 2.92Å; A253-V257 VanDerWaalsContact O-N 3.09Å; R254-V257 PolarHBondContact O-N 2.9Å; R254-V257 VanDerWaalsContact O-N 3.08Å; V257-K259 PolarHBondContact O-N 3.42Å; V257-F260 WeakPolarHBondContact O-CB 3.42Å; V257-F260 PolarHBondContact O-N 3.1Å
258	E	88.2	Confident	88.5	Confident	105 Å²	105	79.9 Å²	79.9	49%	0.491	40%	0.398	S	S	.	.	H	α-helix	trans	-60.6	-24.9	177.9	-76.4	-179.6	174.3	0	0	113.7	R254 F256 F260 K261	R254-E258 WeakPolarHBondContact O-CG 3.31Å; R254-E258 PolarHBondContact O-N 3.31Å; F256-E258 VanDerWaalsContact C-N 3.29Å; F256-E258 PolarHBondContact O-N 2.86Å; E258-F260 PolarHBondContact O-N 3.08Å; E258-F260 VanDerWaalsContact O-N 3.15Å; E258-K261 WeakPolarHBondContact O-CB 3.43Å; E258-K261 PolarHBondContact O-N 3.02Å
259	K	89.3	Confident	89.1	Confident	161 Å²	161	84.3 Å²	84.3	70%	0.7	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.4	173.8	-63.8	178.3	-179	-179	0	112.7	F256 V257	F256-K259 WeakPolarHBondContact O-CB 3.3Å; F256-K259 PolarHBondContact O-N 3.43Å; V257-K259 PolarHBondContact O-N 3.42Å
260	F	89.3	Confident	90	Very high	22 Å²	22	86.6 Å²	86.6	10%	0.096	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	4.8	179.3	-64.6	-101.8	0	0	0	112.5	T231 L234 S239 F256 V257 E258 N262 N263	T231-F260 HydrophobicContact CG2-CE1 4.13Å; T231-F260 HydrophobicContact CG2-CZ 3.84Å; L234-F260 HydrophobicContact CB-CB 4.27Å; L234-F260 HydrophobicContact CB-CD1 3.59Å; L234-F260 HydrophobicContact CB-CD2 4.16Å; L234-F260 HydrophobicContact CB-CE1 3.94Å; L234-F260 HydrophobicContact CB-CE2 4.47Å; L234-F260 HydrophobicContact CB-CG 3.74Å; L234-F260 HydrophobicContact CB-CZ 4.38Å; L234-F260 HydrophobicContact CD1-CD2 3.63Å; L234-F260 HydrophobicContact CD1-CE2 3.94Å; L234-F260 HydrophobicContact CD1-CG 4.01Å; S239-F260 VanDerWaalsContact CB-O 3.31Å; S239-F260 WeakPolarHBondContact CB-O 3.43Å; F256-F260 HydrophobicContact CD1-CE2 4.31Å; F256-F260 AromaticContact CE1-CE2 3.69Å; F256-F260 HydrophobicContact CE1-CE2 3.69Å; F256-F260 HydrophobicContact CE1-CZ 4.37Å; F256-F260 AromaticContact CZ-CE2 3.9Å; F256-F260 HydrophobicContact CZ-CE2 3.9Å; F256-F260 HydrophobicContact CZ-CZ 4.35Å; V257-F260 WeakPolarHBondContact O-CB 3.42Å; V257-F260 PolarHBondContact O-N 3.1Å; E258-F260 PolarHBondContact O-N 3.08Å; E258-F260 VanDerWaalsContact O-N 3.15Å; F260-N262 PolarHBondContact O-N 3.18Å; F260-N263 HydrophobicContact CB-CB 4.42Å; F260-N263 VanDerWaalsContact CD1-ND2 3.33Å; F260-N263 WeakPolarHBondContact CD1-ND2 3.39Å; F260-N263 VanDerWaalsContact O-CB 3.32Å; F260-N263 WeakPolarHBondContact O-CB 2.96Å; F260-N263 PolarHBondContact O-N 3.01Å
261	K	85.5	Confident	90.7	Very high	143 Å²	143	85.1 Å²	85.1	62%	0.622	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-34.4	-175.2	-176.7	-179.7	175.8	-171.4	0	114.6	S239 E258	S239-K261 WeakPolarHBondContact OG-CA 3.37Å; E258-K261 WeakPolarHBondContact O-CB 3.43Å; E258-K261 PolarHBondContact O-N 3.02Å
262	N	86.7	Confident	91.3	Very high	146 Å²	146	80.1 Å²	80.1	78%	0.781	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	4.5	-178.8	-60.7	-30.8	0	0	0	113.3	F260 P264	F260-N262 PolarHBondContact O-N 3.18Å; N262-P264 WeakPolarHBondContact O-CD 3.39Å
263	N	89.9	Confident	91.8	Very high	69 Å²	69	76 Å²	76	37%	0.369	38%	0.383	S	S	.	.			trans	-85.2	114.5	179	-69.5	19.5	0	0	0	109.2	G238 S239 F260	G238-N263 WeakPolarHBondContact CA-O 3.35Å; S239-N263 PolarHBondContact N-O 2.85Å; F260-N263 HydrophobicContact CB-CB 4.42Å; F260-N263 VanDerWaalsContact CD1-ND2 3.33Å; F260-N263 WeakPolarHBondContact CD1-ND2 3.39Å; F260-N263 VanDerWaalsContact O-CB 3.32Å; F260-N263 WeakPolarHBondContact O-CB 2.96Å; F260-N263 PolarHBondContact O-N 3.01Å
264	P	91.8	Very high	92.3	Very high	107 Å²	107	80.5 Å²	80.5	70%	0.695	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-67.1	146.8	175.3	29.2	-34.2	0	0	0	110.3	N262 K266	N262-P264 WeakPolarHBondContact O-CD 3.39Å; P264-K266 PolarHBondContact O-N 2.64Å
265	R	94.4	Very high	92.7	Very high	106 Å²	106	77 Å²	77	40%	0.4	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-60.8	134.7	169	-177.1	177.8	-169.3	95.7	-8.7	109.2	L237 D284	L237-R265 WeakPolarHBondContact O-CB 3.37Å; L237-R265 WeakPolarHBondContact O-CG 3.41Å; L237-R265 PolarHBondContact O-NH1 3.44Å; R265-D284 IonicContact CZ-OD1 3.35Å; R265-D284 IonicContact NE-OD1 2.86Å; R265-D284 IonicContact NH2-OD1 2.78Å; R265-D284 PolarHBondContact NH2-OD1 3.04Å; R265-D284 IonicContact NH2-OD2 2.75Å
266	K	95.7	Very high	93.2	Very high	111 Å²	111	78.1 Å²	78.1	48%	0.483	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-79.9	140.7	171.2	-64.3	-176.2	-179.4	174.9	0	109.6	G235 V236 P264 W268 I271	G235-K266 WeakPolarHBondContact O-CE 3.34Å; V236-K266 PolarHBondContact O-N 3.45Å; P264-K266 PolarHBondContact O-N 2.64Å; K266-W268 PolarHBondContact O-N 3.03Å; K266-I271 HydrophobicContact CB-CD1 4.23Å
267	S	96.3	Very high	93.6	Very high	58 Å²	58	80.4 Å²	80.4	41%	0.406	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-69.2	131.8	172.1	179.9	0	0	0	0	109.6	K269 D270 I271	S267-K269 PolarHBondContact O-N 3.41Å; S267-K269 WeakPolarHBondContact OG-CB 3.41Å; S267-K269 PolarHBondContact OG-N 3.43Å; S267-D270 WeakPolarHBondContact CB-OD2 3.35Å; S267-D270 WeakPolarHBondContact O-CB 3.28Å; S267-D270 PolarHBondContact O-N 3Å; S267-I271 PolarHBondContact O-N 3.29Å
268	W	97.8	Very high	94.1	Very high	6 Å²	6	84.3 Å²	84.3	2%	0.023	45%	0.446	C	S	.	.	H	α-helix	trans	-59	-30.1	170.5	-66.3	121.6	0	0	0	112	L220 F221 V236 L237 K266 D270 I271 Y272 I280 L283 D284 L287	L220-W268 HydrophobicContact CD1-CZ3 4.15Å; L220-W268 HydrophobicContact CD2-CH2 4Å; L220-W268 HydrophobicContact CD2-CZ3 3.88Å; F221-W268 HydrophobicContact CZ-CH2 4.33Å; V236-W268 HydrophobicContact CG1-CE3 4.31Å; V236-W268 HydrophobicContact CG1-CH2 3.51Å; V236-W268 HydrophobicContact CG1-CZ2 4.27Å; V236-W268 HydrophobicContact CG1-CZ3 3.55Å; L237-W268 HydrophobicContact CD2-CH2 3.99Å; L237-W268 HydrophobicContact CD2-CZ2 3.51Å; K266-W268 PolarHBondContact O-N 3.03Å; W268-D270 PolarHBondContact O-N 3.37Å; W268-I271 HydrophobicContact CE3-CD1 3.83Å; W268-I271 HydrophobicContact CZ3-CD1 3.94Å; W268-I271 PolarHBondContact O-N 2.96Å; W268-I271 VanDerWaalsContact O-N 3.14Å; W268-Y272 HydrophobicContact CE3-CD2 4.25Å; W268-Y272 AromaticContact CE3-CE2 3.93Å; W268-Y272 HydrophobicContact CE3-CE2 3.93Å; W268-Y272 HydrophobicContact CZ3-CE2 4.31Å; W268-Y272 WeakPolarHBondContact O-CB 3.48Å; W268-Y272 PolarHBondContact O-N 2.81Å; W268-I280 HydrophobicContact CB-CD1 3.64Å; W268-I280 HydrophobicContact CB-CG2 3.97Å; W268-L283 HydrophobicContact CD2-CD2 4.02Å; W268-L283 HydrophobicContact CD2-CG 4.43Å; W268-L283 HydrophobicContact CE3-CD2 3.91Å; W268-L283 HydrophobicContact CG-CD2 4.29Å; W268-L283 HydrophobicContact CZ3-CD2 4.48Å; W268-D284 PolarHBondContact NE1-OD1 2.93Å; W268-L287 HydrophobicContact CH2-CB 4.39Å; W268-L287 HydrophobicContact CH2-CD1 3.45Å; W268-L287 VanDerWaalsContact CH2-CD1 3.45Å; W268-L287 HydrophobicContact CZ2-CB 3.92Å; W268-L287 HydrophobicContact CZ2-CD1 3.72Å; W268-L287 HydrophobicContact CZ2-CG 4.49Å; W268-L287 HydrophobicContact CZ3-CD1 4.16Å
269	K	97.2	Very high	94.5	Very high	94 Å²	94	79.7 Å²	79.7	41%	0.409	43%	0.425	S	S	.	.	H	α-helix	trans	-65.1	-29.3	176.1	-171.5	62	173.2	172.7	0	112.2	S267 Y272 P273 A275	S267-K269 PolarHBondContact O-N 3.41Å; S267-K269 WeakPolarHBondContact OG-CB 3.41Å; S267-K269 PolarHBondContact OG-N 3.43Å; K269-Y272 CarbonylContact O-C 3.54Å; K269-P273 WeakPolarHBondContact CE-O 3.48Å; K269-P273 PolarHBondContact NZ-O 3Å; K269-P273 WeakPolarHBondContact O-CA 3.43Å; K269-A275 PolarHBondContact NZ-O 2.94Å
270	D	96.9	Very high	95	Very high	127 Å²	127	73.5 Å²	73.5	68%	0.679	40%	0.399	S	S	*	.	H	α-helix	trans	-74.6	-31.6	175.2	-60.6	-24.4	0	0	0	111.4	S267 W268	S267-D270 WeakPolarHBondContact CB-OD2 3.35Å; S267-D270 WeakPolarHBondContact O-CB 3.28Å; S267-D270 PolarHBondContact O-N 3Å; W268-D270 PolarHBondContact O-N 3.37Å
271	I	97.1	Very high	95.4	Very high	49 Å²	49	75.4 Å²	75.4	25%	0.251	41%	0.411	S	S	.	.	H	α-helix	trans	-79.8	-37.9	178	-58.7	173.7	0	0	0	110.8	V236 K266 S267 W268 P273	V236-I271 HydrophobicContact CG1-CD1 3.59Å; V236-I271 HydrophobicContact CG2-CD1 4.35Å; K266-I271 HydrophobicContact CB-CD1 4.23Å; S267-I271 PolarHBondContact O-N 3.29Å; W268-I271 HydrophobicContact CE3-CD1 3.83Å; W268-I271 HydrophobicContact CZ3-CD1 3.94Å; W268-I271 PolarHBondContact O-N 2.96Å; W268-I271 VanDerWaalsContact O-N 3.14Å; I271-P273 VanDerWaalsContact C-CD 3.49Å; I271-P273 WeakPolarHBondContact O-CD 3.43Å
272	Y	97.4	Very high	96.1	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.016	38%	0.381	C	S	.	.			trans	-124.4	71.5	-177.1	-58.5	-76	0	0	0	110.3	G212 L215 N216 W268 K269 S274 A275 L283	G212-Y272 WeakPolarHBondContact CA-OH 3.31Å; G212-Y272 WeakPolarHBondContact O-CE1 3.38Å; G212-Y272 PolarHBondContact O-OH 3.13Å; L215-Y272 HydrophobicContact CB-CD1 3.64Å; L215-Y272 HydrophobicContact CB-CE1 3.67Å; L215-Y272 HydrophobicContact CD1-CD1 4.05Å; L215-Y272 HydrophobicContact CD1-CE1 4.24Å; L215-Y272 HydrophobicContact CD1-CG 4.22Å; N216-Y272 HydrophobicContact CB-CD1 4.3Å; N216-Y272 HydrophobicContact CB-CE1 3.97Å; N216-Y272 VanDerWaalsContact ND2-CE1 3.28Å; N216-Y272 WeakPolarHBondContact ND2-CE1 3.3Å; W268-Y272 HydrophobicContact CE3-CD2 4.25Å; W268-Y272 AromaticContact CE3-CE2 3.93Å; W268-Y272 HydrophobicContact CE3-CE2 3.93Å; W268-Y272 HydrophobicContact CZ3-CE2 4.31Å; W268-Y272 WeakPolarHBondContact O-CB 3.48Å; W268-Y272 PolarHBondContact O-N 2.81Å; K269-Y272 CarbonylContact O-C 3.54Å; Y272-S274 PolarHBondContact O-N 3.24Å; Y272-A275 WeakPolarHBondContact O-CB 3.33Å; Y272-A275 PolarHBondContact O-N 3.14Å; Y272-A275 VanDerWaalsContact O-N 3.08Å; Y272-L283 HydrophobicContact CD2-CD2 3.71Å; Y272-L283 HydrophobicContact CE2-CD2 3.53Å
273	P	96.7	Very high	96.6	Very high	91 Å²	91	61.7 Å²	61.7	59%	0.591	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.8	-173.7	23.8	-34.2	0	0	0	113.8	K269 I271	K269-P273 WeakPolarHBondContact CE-O 3.48Å; K269-P273 PolarHBondContact NZ-O 3Å; K269-P273 WeakPolarHBondContact O-CA 3.43Å; I271-P273 VanDerWaalsContact C-CD 3.49Å; I271-P273 WeakPolarHBondContact O-CD 3.43Å
274	S	94.7	Very high	97	Very high	109 Å²	109	61 Å²	61	76%	0.762	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-15.8	176.9	51.9	0	0	0	0	114.3	Y272	Y272-S274 PolarHBondContact O-N 3.24Å
275	A	96.9	Very high	97.4	Very high	8 Å²	8	61.3 Å²	61.3	7%	0.066	33%	0.328	C	S	.	.			trans	-72.4	136.9	-176.4	0	0	0	0	0	112	K269 Y272 T279 I280	K269-A275 PolarHBondContact NZ-O 2.94Å; Y272-A275 WeakPolarHBondContact O-CB 3.33Å; Y272-A275 PolarHBondContact O-N 3.14Å; Y272-A275 VanDerWaalsContact O-N 3.08Å; A275-T279 HydrophobicContact CB-CG2 3.67Å; A275-I280 HydrophobicContact CB-CD1 3.71Å; A275-I280 HydrophobicContact CB-CG1 3.93Å
276	D	96.9	Very high	97.6	Very high	88 Å²	88	56.3 Å²	56.3	47%	0.471	31%	0.309	S	S	.	.			trans	-76.6	175	175.1	67.6	26.2	0	0	0	112.4	K278 T279 I280	D276-K278 VanDerWaalsContact C-N 3.33Å; D276-K278 PolarHBondContact O-N 2.82Å; D276-K278 PolarHBondContact OD1-N 2.76Å; D276-T279 WeakPolarHBondContact O-CB 3.3Å; D276-T279 PolarHBondContact O-N 2.95Å; D276-T279 VanDerWaalsContact OD1-CB 3.24Å; D276-T279 WeakPolarHBondContact OD1-CB 2.93Å; D276-T279 PolarHBondContact OD1-N 3.39Å; D276-T279 PolarHBondContact OD1-OG1 3.4Å; D276-I280 VanDerWaalsContact O-CG1 3.28Å; D276-I280 WeakPolarHBondContact O-CG1 3.24Å; D276-I280 PolarHBondContact O-N 3.41Å
277	A	98.1	Very high	97.7	Very high	85 Å²	85	51 Å²	51	70%	0.702	29%	0.286	S	S	*	.	H	α-helix	trans	-63.2	-36.9	-177	0	0	0	0	0	113.1	I280 D281	A277-I280 PolarHBondContact O-N 2.87Å; A277-D281 WeakPolarHBondContact O-CB 3.15Å; A277-D281 PolarHBondContact O-N 2.95Å
278	K	98.3	Very high	97.7	Very high	81 Å²	81	49.7 Å²	49.7	35%	0.352	28%	0.275	S	S	.	.	H	α-helix	trans	-67.3	-41	178.9	-70.2	179.9	168.5	-164.5	0	110.9	D276 L282 H303 P304 Y305 E307	D276-K278 VanDerWaalsContact C-N 3.33Å; D276-K278 PolarHBondContact O-N 2.82Å; D276-K278 PolarHBondContact OD1-N 2.76Å; K278-L282 PolarHBondContact O-N 3.09Å; K278-L282 VanDerWaalsContact O-N 3.08Å; K278-H303 PolarHBondContact O-CE1 2.9Å; K278-P304 HydrophobicContact CD-CB 4.36Å; K278-P304 WeakPolarHBondContact CD-O 3.33Å; K278-P304 WeakPolarHBondContact CE-O 3.43Å; K278-P304 PolarHBondContact NZ-O 2.85Å; K278-Y305 HydrophobicContact CB-CD2 4.2Å; K278-E307 IonicContact NZ-OE2 2.74Å; K278-E307 PolarHBondContact NZ-OE2 3.47Å
279	T	98.4	Very high	97.5	Very high	9 Å²	9	50 Å²	50	6%	0.055	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-48.2	176.1	-56.1	0	0	0	0	110.6	F211 L215 A275 D276 L283 Y305	F211-T279 HydrophobicContact CE1-CG2 4.37Å; F211-T279 HydrophobicContact CE2-CG2 4.27Å; F211-T279 HydrophobicContact CZ-CG2 3.66Å; L215-T279 HydrophobicContact CD1-CG2 3.77Å; L215-T279 HydrophobicContact CD2-CG2 3.76Å; L215-T279 HydrophobicContact CG-CG2 4.43Å; A275-T279 HydrophobicContact CB-CG2 3.67Å; D276-T279 WeakPolarHBondContact O-CB 3.3Å; D276-T279 PolarHBondContact O-N 2.95Å; D276-T279 VanDerWaalsContact OD1-CB 3.24Å; D276-T279 WeakPolarHBondContact OD1-CB 2.93Å; D276-T279 PolarHBondContact OD1-N 3.39Å; D276-T279 PolarHBondContact OD1-OG1 3.4Å; T279-L283 WeakPolarHBondContact O-CB 3.05Å; T279-L283 PolarHBondContact O-N 2.75Å; T279-Y305 HydrophobicContact CG2-CE2 4.43Å; T279-Y305 VanDerWaalsContact OG1-CE2 3.28Å; T279-Y305 WeakPolarHBondContact OG1-CE2 3.34Å
280	I	98.5	Very high	97.3	Very high	30 Å²	30	46.3 Å²	46.3	15%	0.154	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-43.3	-179.9	-65.8	-66.3	0	0	0	111.5	W268 A275 D276 A277 L283 D284	W268-I280 HydrophobicContact CB-CD1 3.64Å; W268-I280 HydrophobicContact CB-CG2 3.97Å; A275-I280 HydrophobicContact CB-CD1 3.71Å; A275-I280 HydrophobicContact CB-CG1 3.93Å; D276-I280 VanDerWaalsContact O-CG1 3.28Å; D276-I280 WeakPolarHBondContact O-CG1 3.24Å; D276-I280 PolarHBondContact O-N 3.41Å; A277-I280 PolarHBondContact O-N 2.87Å; I280-L283 PolarHBondContact O-N 2.88Å; I280-D284 WeakPolarHBondContact O-CB 3.24Å; I280-D284 PolarHBondContact O-N 3.02Å
281	D	98.6	Very high	97.1	Very high	63 Å²	63	41.4 Å²	41.4	34%	0.337	24%	0.236	S	C	.	.	H	α-helix	trans	-63	-46.7	178.9	-167.7	63.7	0	0	0	111.7	A277 L283 D284 R285 H303	A277-D281 WeakPolarHBondContact O-CB 3.15Å; A277-D281 PolarHBondContact O-N 2.95Å; D281-L283 PolarHBondContact O-N 3.33Å; D281-D284 PolarHBondContact O-N 3.48Å; D281-R285 WeakPolarHBondContact O-CG 3.45Å; D281-R285 PolarHBondContact O-N 3.19Å; D281-R285 VanDerWaalsContact O-N 3.11Å; D281-R285 IonicContact OD1-NE 2.79Å; D281-R285 IonicContact OD1-NH2 3.13Å; D281-R285 IonicContact OD2-CZ 2.77Å; D281-R285 IonicContact OD2-NE 4Å; D281-R285 PolarHBondContact OD2-NE 3.05Å; D281-R285 IonicContact OD2-NH2 3.4Å; D281-R285 PolarHBondContact OD2-NH2 3.29Å; D281-R285 VanDerWaalsContact OD2-NH2 3.13Å; D281-H303 IonicContact OD2-CD2 3.98Å; D281-H303 IonicContact OD2-CE1 3.03Å; D281-H303 IonicContact OD2-NE2 3.63Å; D281-H303 PolarHBondContact OD2-NE2 3.12Å
282	L	98.8	Very high	96.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-45.6	177.5	-179.6	58.9	0	0	0	111.7	L123 F211 K278 D284 R285 L286 A300 H303 Y305 F306	L123-L282 HydrophobicContact CD2-CD2 3.79Å; F211-L282 HydrophobicContact CE1-CB 4.2Å; F211-L282 HydrophobicContact CE1-CD2 4.04Å; F211-L282 HydrophobicContact CE1-CG 4.1Å; F211-L282 HydrophobicContact CZ-CD2 4.43Å; K278-L282 PolarHBondContact O-N 3.09Å; K278-L282 VanDerWaalsContact O-N 3.08Å; L282-D284 VanDerWaalsContact C-N 3.31Å; L282-D284 PolarHBondContact O-N 3.06Å; L282-R285 PolarHBondContact O-N 2.9Å; L282-L286 HydrophobicContact CD1-CD1 4.1Å; L282-L286 HydrophobicContact CD1-CG 4.1Å; L282-L286 HydrophobicContact CD2-CD1 4.5Å; L282-L286 HydrophobicContact CG-CD1 3.87Å; L282-L286 HydrophobicContact CG-CG 4.33Å; L282-L286 VanDerWaalsContact O-CG 3.31Å; L282-L286 WeakPolarHBondContact O-CG 3.34Å; L282-L286 PolarHBondContact O-N 3.36Å; L282-A300 HydrophobicContact CD1-CB 4.4Å; L282-H303 HydrophobicContact CD1-CB 4.05Å; L282-Y305 HydrophobicContact CD2-CD1 3.44Å; L282-Y305 VanDerWaalsContact CD2-CD1 3.44Å; L282-Y305 HydrophobicContact CD2-CE1 4.19Å; L282-Y305 HydrophobicContact CD2-CG 3.83Å; L282-F306 HydrophobicContact CD1-CE2 4.49Å; L282-F306 HydrophobicContact CD2-CD2 4.49Å; L282-F306 HydrophobicContact CD2-CE2 3.52Å; L282-F306 HydrophobicContact CD2-CZ 3.59Å
283	L	98.7	Very high	96.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-42.1	179.3	-177.5	66.2	0	0	0	111.5	G208 F211 L215 W268 Y272 T279 I280 D281 L286 L287	G208-L283 WeakPolarHBondContact O-CD1 3.4Å; F211-L283 HydrophobicContact CB-CD1 4.38Å; F211-L283 HydrophobicContact CD1-CB 4.01Å; F211-L283 HydrophobicContact CD1-CD1 3.75Å; F211-L283 HydrophobicContact CD1-CG 4.48Å; F211-L283 HydrophobicContact CE1-CB 3.94Å; F211-L283 HydrophobicContact CE1-CD1 4.49Å; F211-L283 HydrophobicContact CG-CD1 4.32Å; L215-L283 HydrophobicContact CD1-CD2 4.31Å; W268-L283 HydrophobicContact CD2-CD2 4.02Å; W268-L283 HydrophobicContact CD2-CG 4.43Å; W268-L283 HydrophobicContact CE3-CD2 3.91Å; W268-L283 HydrophobicContact CG-CD2 4.29Å; W268-L283 HydrophobicContact CZ3-CD2 4.48Å; Y272-L283 HydrophobicContact CD2-CD2 3.71Å; Y272-L283 HydrophobicContact CE2-CD2 3.53Å; T279-L283 WeakPolarHBondContact O-CB 3.05Å; T279-L283 PolarHBondContact O-N 2.75Å; I280-L283 PolarHBondContact O-N 2.88Å; D281-L283 PolarHBondContact O-N 3.33Å; L283-L286 PolarHBondContact O-N 3.31Å; L283-L287 HydrophobicContact CD1-CD1 3.66Å; L283-L287 HydrophobicContact CD1-CG 4.28Å; L283-L287 HydrophobicContact CG-CD1 4.09Å; L283-L287 WeakPolarHBondContact O-CB 3.48Å; L283-L287 PolarHBondContact O-N 3.39Å
284	D	98.4	Very high	96.8	Very high	54 Å²	54	44.9 Å²	44.9	29%	0.289	26%	0.258	S	S	.	.	H	α-helix	trans	-62.5	-43.4	178.8	-163.9	68.2	0	0	0	112.2	R265 W268 I280 D281 L282 L287 T288	R265-D284 IonicContact CZ-OD1 3.35Å; R265-D284 IonicContact NE-OD1 2.86Å; R265-D284 IonicContact NH2-OD1 2.78Å; R265-D284 PolarHBondContact NH2-OD1 3.04Å; R265-D284 IonicContact NH2-OD2 2.75Å; W268-D284 PolarHBondContact NE1-OD1 2.93Å; I280-D284 WeakPolarHBondContact O-CB 3.24Å; I280-D284 PolarHBondContact O-N 3.02Å; D281-D284 PolarHBondContact O-N 3.48Å; L282-D284 VanDerWaalsContact C-N 3.31Å; L282-D284 PolarHBondContact O-N 3.06Å; D284-L287 CarbonylContact O-C 3.6Å; D284-L287 PolarHBondContact O-N 2.9Å; D284-T288 PolarHBondContact O-N 3.4Å; D284-T288 PolarHBondContact O-OG1 3.33Å
285	R	98.7	Very high	96.9	Very high	115 Å²	115	40.3 Å²	40.3	43%	0.434	23%	0.225	S	C	.	.	H	α-helix	trans	-67.3	-40.8	177.8	-68.9	176.4	-170.4	-101.1	-1.1	112.7	D281 L282 T288 I295	D281-R285 WeakPolarHBondContact O-CG 3.45Å; D281-R285 PolarHBondContact O-N 3.19Å; D281-R285 VanDerWaalsContact O-N 3.11Å; D281-R285 IonicContact OD1-NE 2.79Å; D281-R285 IonicContact OD1-NH2 3.13Å; D281-R285 IonicContact OD2-CZ 2.77Å; D281-R285 IonicContact OD2-NE 4Å; D281-R285 PolarHBondContact OD2-NE 3.05Å; D281-R285 IonicContact OD2-NH2 3.4Å; D281-R285 PolarHBondContact OD2-NH2 3.29Å; D281-R285 VanDerWaalsContact OD2-NH2 3.13Å; L282-R285 PolarHBondContact O-N 2.9Å; R285-T288 PolarHBondContact O-N 2.81Å; R285-T288 PolarHBondContact O-OG1 3.28Å; R285-T288 VanDerWaalsContact O-OG1 3.13Å; R285-I295 HydrophobicContact CB-CB 4.04Å; R285-I295 HydrophobicContact CB-CD1 4.07Å; R285-I295 HydrophobicContact CB-CG2 4.05Å; R285-I295 WeakPolarHBondContact O-CG2 3.41Å
286	L	98.8	Very high	97	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-39.2	174.9	-70.7	169.6	0	0	0	111.8	I204 F211 L282 L283 T288 R294 I295 A300	I204-L286 HydrophobicContact CG2-CD2 3.55Å; F211-L286 HydrophobicContact CD1-CD1 3.91Å; L282-L286 HydrophobicContact CD1-CD1 4.1Å; L282-L286 HydrophobicContact CD1-CG 4.1Å; L282-L286 HydrophobicContact CD2-CD1 4.5Å; L282-L286 HydrophobicContact CG-CD1 3.87Å; L282-L286 HydrophobicContact CG-CG 4.33Å; L282-L286 VanDerWaalsContact O-CG 3.31Å; L282-L286 WeakPolarHBondContact O-CG 3.34Å; L282-L286 PolarHBondContact O-N 3.36Å; L283-L286 PolarHBondContact O-N 3.31Å; L286-T288 VanDerWaalsContact C-N 3.34Å; L286-T288 PolarHBondContact O-N 3.01Å; L286-R294 WeakPolarHBondContact O-CD 3.42Å; L286-I295 HydrophobicContact CD2-CG2 3.85Å; L286-I295 HydrophobicContact CG-CG2 4.29Å; L286-A300 HydrophobicContact CD2-CB 4.31Å
287	L	98.3	Very high	97.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	31.7	-179.2	-64.4	177.1	0	0	0	113.2	W205 L220 F221 W268 L283 D284	W205-L287 HydrophobicContact CD2-CD2 4Å; W205-L287 HydrophobicContact CE3-CD2 4.03Å; W205-L287 HydrophobicContact CH2-CD2 4.2Å; W205-L287 HydrophobicContact CZ2-CD2 4.18Å; W205-L287 HydrophobicContact CZ3-CB 4.33Å; W205-L287 HydrophobicContact CZ3-CD2 4.14Å; L220-L287 HydrophobicContact CD2-CD1 3.44Å; L220-L287 VanDerWaalsContact CD2-CD1 3.44Å; F221-L287 HydrophobicContact CE2-CD2 4.41Å; W268-L287 HydrophobicContact CH2-CB 4.39Å; W268-L287 HydrophobicContact CH2-CD1 3.45Å; W268-L287 VanDerWaalsContact CH2-CD1 3.45Å; W268-L287 HydrophobicContact CZ2-CB 3.92Å; W268-L287 HydrophobicContact CZ2-CD1 3.72Å; W268-L287 HydrophobicContact CZ2-CG 4.49Å; W268-L287 HydrophobicContact CZ3-CD1 4.16Å; L283-L287 HydrophobicContact CD1-CD1 3.66Å; L283-L287 HydrophobicContact CD1-CG 4.28Å; L283-L287 HydrophobicContact CG-CD1 4.09Å; L283-L287 WeakPolarHBondContact O-CB 3.48Å; L283-L287 PolarHBondContact O-N 3.39Å; D284-L287 CarbonylContact O-C 3.6Å; D284-L287 PolarHBondContact O-N 2.9Å
288	T	96.5	Very high	97.1	Very high	30 Å²	30	38.4 Å²	38.4	18%	0.184	20%	0.201	C	C	.	.			trans	-70.2	129.7	171.8	-68.4	0	0	0	0	110.4	D284 R285 L286 T293 R294	D284-T288 PolarHBondContact O-N 3.4Å; D284-T288 PolarHBondContact O-OG1 3.33Å; R285-T288 PolarHBondContact O-N 2.81Å; R285-T288 PolarHBondContact O-OG1 3.28Å; R285-T288 VanDerWaalsContact O-OG1 3.13Å; L286-T288 VanDerWaalsContact C-N 3.34Å; L286-T288 PolarHBondContact O-N 3.01Å; T288-T293 WeakPolarHBondContact CG2-OG1 3.24Å; T288-R294 HydrophobicContact CG2-CB 4.4Å; T288-R294 PolarHBondContact O-NE 2.95Å; T288-R294 PolarHBondContact O-NH2 2.91Å; T288-R294 VanDerWaalsContact O-NH2 3.17Å
289	F	94.1	Very high	97.1	Very high	13 Å²	13	39.8 Å²	39.8	6%	0.057	21%	0.209	C	C	.	.	S	Bend	trans	-63.4	-47.7	-173.2	178.9	-96.9	0	0	0	112.4	P189 L193 L234 L237 P240 D244 W247 I248 P291 R294	P189-F289 HydrophobicContact CB-CD2 4.13Å; P189-F289 HydrophobicContact CB-CE2 3.79Å; P189-F289 HydrophobicContact CG-CD2 3.95Å; P189-F289 HydrophobicContact CG-CE2 4.1Å; L193-F289 HydrophobicContact CD1-CE2 4.01Å; L193-F289 HydrophobicContact CD1-CZ 3.62Å; L234-F289 HydrophobicContact CD2-CD2 4.37Å; L234-F289 HydrophobicContact CD2-CE2 3.84Å; L237-F289 HydrophobicContact CD1-CB 4.11Å; L237-F289 HydrophobicContact CD1-CD2 4.36Å; P240-F289 HydrophobicContact CB-CD1 3.43Å; P240-F289 VanDerWaalsContact CB-CD1 3.43Å; P240-F289 HydrophobicContact CB-CE1 3.52Å; P240-F289 HydrophobicContact CB-CG 3.98Å; P240-F289 HydrophobicContact CB-CZ 4.15Å; P240-F289 HydrophobicContact CG-CD1 4.01Å; P240-F289 HydrophobicContact CG-CE1 3.59Å; P240-F289 HydrophobicContact CG-CE2 4.34Å; P240-F289 HydrophobicContact CG-CZ 3.78Å; D244-F289 HydrophobicContact CB-CD1 4.26Å; W247-F289 AromaticContact CE2-CE1 3.97Å; W247-F289 HydrophobicContact CH2-CE1 4.31Å; W247-F289 HydrophobicContact CH2-CZ 4.23Å; W247-F289 AromaticContact CZ2-CD1 3.96Å; W247-F289 HydrophobicContact CZ2-CD1 3.96Å; W247-F289 AromaticContact CZ2-CE1 3.37Å; W247-F289 HydrophobicContact CZ2-CE1 3.37Å; W247-F289 AromaticContact CZ2-CZ 3.7Å; W247-F289 HydrophobicContact CZ2-CZ 3.7Å; I248-F289 HydrophobicContact CD1-CE1 4.21Å; I248-F289 HydrophobicContact CD1-CZ 4.12Å; F289-P291 WeakPolarHBondContact O-CD 3.38Å; F289-R294 PolarHBondContact O-NH2 2.85Å; F289-R294 VanDerWaalsContact O-NH2 3.14Å
290	N	92.5	Very high	97.1	Very high	16 Å²	16	39.4 Å²	39.4	9%	0.086	21%	0.206	C	C	.	.	S	Bend	trans	-77.5	118.4	-178.5	178.4	-8.3	0	0	0	110.1	D244 T292 T293 R294	D244-N290 HydrophobicContact CB-CB 4.07Å; D244-N290 WeakPolarHBondContact OD1-CB 3.47Å; D244-N290 PolarHBondContact OD1-ND2 3.33Å; N290-T292 PolarHBondContact O-N 3.38Å; N290-T292 WeakPolarHBondContact OD1-CB 3.32Å; N290-T292 PolarHBondContact OD1-N 2.95Å; N290-T293 WeakPolarHBondContact CB-OG1 3.32Å; N290-T293 PolarHBondContact O-N 3.39Å; N290-T293 PolarHBondContact O-OG1 3.31Å; N290-R294 PolarHBondContact O-N 3.24Å
291	P	92.8	Very high	97.1	Very high	24 Å²	24	38 Å²	38	16%	0.156	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.1	-175.9	26.7	-35	0	0	0	113.6	E190 A201 F289	E190-P291 HydrophobicContact CB-CG 4.4Å; E190-P291 HydrophobicContact CG-CB 4.46Å; E190-P291 HydrophobicContact CG-CG 4.39Å; A201-P291 HydrophobicContact CB-CB 3.79Å; F289-P291 WeakPolarHBondContact O-CD 3.38Å
292	T	92.2	Very high	97.1	Very high	122 Å²	122	37.3 Å²	37.3	75%	0.748	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-27.1	179.1	-52.7	0	0	0	0	112.7	N290	N290-T292 PolarHBondContact O-N 3.38Å; N290-T292 WeakPolarHBondContact OD1-CB 3.32Å; N290-T292 PolarHBondContact OD1-N 2.95Å
293	T	94.7	Very high	97.1	Very high	85 Å²	85	37.9 Å²	37.9	52%	0.521	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-2	178.7	55.9	0	0	0	0	112.7	T288 N290	T288-T293 WeakPolarHBondContact CG2-OG1 3.24Å; N290-T293 WeakPolarHBondContact CB-OG1 3.32Å; N290-T293 PolarHBondContact O-N 3.39Å; N290-T293 PolarHBondContact O-OG1 3.31Å
294	R	97.2	Very high	97	Very high	10 Å²	10	41.3 Å²	41.3	4%	0.038	23%	0.227	C	C	.	.	S	Bend	trans	-66.8	134.8	171	-168.8	-178.4	-58.1	141.4	6.3	109.3	E190 A201 I204 L286 T288 F289 N290	E190-R294 IonicContact OE1-CZ 2.65Å; E190-R294 IonicContact OE1-NH1 3.59Å; E190-R294 PolarHBondContact OE1-NH1 2.85Å; E190-R294 IonicContact OE1-NH2 3.95Å; E190-R294 PolarHBondContact OE1-NH2 3.35Å; E190-R294 IonicContact OE2-CZ 3.52Å; E190-R294 IonicContact OE2-NH1 3.55Å; E190-R294 IonicContact OE2-NH2 3.97Å; E190-R294 PolarHBondContact OE2-NH2 2.82Å; A201-R294 PolarHBondContact O-NH1 3.36Å; I204-R294 HydrophobicContact CG2-CG 4.07Å; L286-R294 WeakPolarHBondContact O-CD 3.42Å; T288-R294 HydrophobicContact CG2-CB 4.4Å; T288-R294 PolarHBondContact O-NE 2.95Å; T288-R294 PolarHBondContact O-NH2 2.91Å; T288-R294 VanDerWaalsContact O-NH2 3.17Å; F289-R294 PolarHBondContact O-NH2 2.85Å; F289-R294 VanDerWaalsContact O-NH2 3.14Å; N290-R294 PolarHBondContact O-N 3.24Å
295	I	98.6	Very high	97	Very high	13 Å²	13	39.9 Å²	39.9	7%	0.067	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-52.1	141.3	-178.4	-164.7	171.4	0	0	0	111.7	I204 R285 L286 E299 A300	I204-I295 HydrophobicContact CG2-CG2 4.04Å; I204-I295 WeakPolarHBondContact CG2-O 2.98Å; R285-I295 HydrophobicContact CB-CB 4.04Å; R285-I295 HydrophobicContact CB-CD1 4.07Å; R285-I295 HydrophobicContact CB-CG2 4.05Å; R285-I295 WeakPolarHBondContact O-CG2 3.41Å; L286-I295 HydrophobicContact CD2-CG2 3.85Å; L286-I295 HydrophobicContact CG-CG2 4.29Å; I295-E299 WeakPolarHBondContact CA-OE2 3.04Å; I295-E299 HydrophobicContact CD1-CB 3.96Å; I295-E299 HydrophobicContact CG1-CB 3.37Å; I295-E299 HydrophobicContact CG1-CG 4.5Å; I295-A300 HydrophobicContact CD1-CB 4.06Å; I295-A300 HydrophobicContact CG1-CB 4.33Å; I295-A300 HydrophobicContact CG2-CB 4.38Å
296	T	98.3	Very high	97	Very high	57 Å²	57	34.4 Å²	34.4	35%	0.35	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-79	169.3	172.8	79.1	0	0	0	0	111.4	E298 E299 A300	T296-E298 VanDerWaalsContact C-N 3.31Å; T296-E298 WeakPolarHBondContact CB-OE2 3.38Å; T296-E298 PolarHBondContact O-N 3.01Å; T296-E298 PolarHBondContact OG1-N 2.79Å; T296-E298 PolarHBondContact OG1-OE2 3.13Å; T296-E299 PolarHBondContact N-OE2 2.89Å; T296-E299 PolarHBondContact O-N 2.72Å; T296-E299 WeakPolarHBondContact OG1-CG 3.37Å; T296-E299 PolarHBondContact OG1-N 2.94Å; T296-A300 VanDerWaalsContact O-CB 3.27Å; T296-A300 WeakPolarHBondContact O-CB 3.37Å; T296-A300 PolarHBondContact O-N 3.12Å
297	V	98.4	Very high	96.9	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-37	176.3	65.6	0	0	0	0	111.8	L127 L130 K131 I204 A300 L301	L127-V297 HydrophobicContact CB-CG2 4.32Å; L127-V297 HydrophobicContact CD2-CG2 4.07Å; L127-V297 WeakPolarHBondContact O-CG2 3.44Å; L130-V297 HydrophobicContact CB-CG2 4.18Å; L130-V297 HydrophobicContact CG-CG2 4.4Å; K131-V297 HydrophobicContact CB-CG1 4.04Å; K131-V297 HydrophobicContact CB-CG2 3.89Å; K131-V297 HydrophobicContact CG-CG1 4.41Å; I204-V297 HydrophobicContact CD1-CB 3.83Å; V297-A300 PolarHBondContact O-N 2.97Å; V297-L301 HydrophobicContact CG2-CD1 4.3Å; V297-L301 WeakPolarHBondContact O-CG 3.18Å; V297-L301 PolarHBondContact O-N 2.99Å
298	E	98	Very high	96.7	Very high	83 Å²	83	48.9 Å²	48.9	39%	0.388	27%	0.265	S	S	.	.	H	α-helix	trans	-66.6	-44.2	176.9	-60.8	79.7	-174.2	0	0	111.7	T296 A300 L301 A302	T296-E298 VanDerWaalsContact C-N 3.31Å; T296-E298 WeakPolarHBondContact CB-OE2 3.38Å; T296-E298 PolarHBondContact O-N 3.01Å; T296-E298 PolarHBondContact OG1-N 2.79Å; T296-E298 PolarHBondContact OG1-OE2 3.13Å; E298-A300 VanDerWaalsContact C-N 3.33Å; E298-L301 PolarHBondContact O-N 3.26Å; E298-A302 WeakPolarHBondContact O-CB 3.28Å; E298-A302 PolarHBondContact O-N 2.78Å; E298-A302 VanDerWaalsContact O-N 3.08Å
299	E	98.4	Very high	96.5	Very high	110 Å²	110	50.5 Å²	50.5	51%	0.514	27%	0.268	S	S	.	.	H	α-helix	trans	-65.8	-37.1	175.5	-69.6	173.1	155.6	0	0	111.7	I295 T296 A302 H303	I295-E299 WeakPolarHBondContact CA-OE2 3.04Å; I295-E299 HydrophobicContact CD1-CB 3.96Å; I295-E299 HydrophobicContact CG1-CB 3.37Å; I295-E299 HydrophobicContact CG1-CG 4.5Å; T296-E299 PolarHBondContact N-OE2 2.89Å; T296-E299 PolarHBondContact O-N 2.72Å; T296-E299 WeakPolarHBondContact OG1-CG 3.37Å; T296-E299 PolarHBondContact OG1-N 2.94Å; E299-A302 PolarHBondContact O-N 3.39Å; E299-H303 PolarHBondContact O-N 3.2Å
300	A	98.7	Very high	96.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-43.4	176.6	0	0	0	0	0	111.8	L127 L282 L286 I295 T296 V297 E298 A302 H303 F306	L127-A300 HydrophobicContact CD1-CB 3.96Å; L127-A300 HydrophobicContact CD2-CB 4.06Å; L282-A300 HydrophobicContact CD1-CB 4.4Å; L286-A300 HydrophobicContact CD2-CB 4.31Å; I295-A300 HydrophobicContact CD1-CB 4.06Å; I295-A300 HydrophobicContact CG1-CB 4.33Å; I295-A300 HydrophobicContact CG2-CB 4.38Å; T296-A300 VanDerWaalsContact O-CB 3.27Å; T296-A300 WeakPolarHBondContact O-CB 3.37Å; T296-A300 PolarHBondContact O-N 3.12Å; V297-A300 PolarHBondContact O-N 2.97Å; E298-A300 VanDerWaalsContact C-N 3.33Å; A300-A302 VanDerWaalsContact C-N 3.33Å; A300-A302 PolarHBondContact O-N 2.88Å; A300-H303 WeakPolarHBondContact O-CB 3.4Å; A300-H303 PolarHBondContact O-N 3.28Å; A300-H303 VanDerWaalsContact O-N 3.16Å; A300-F306 WeakPolarHBondContact O-CD2 3.5Å; A300-F306 WeakPolarHBondContact O-CE2 3.36Å
301	L	98.4	Very high	96.6	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-40.2	175.3	-76.3	163.3	0	0	0	111.9	Y124 L127 R128 K131 V297 E298 H303 Y310 E315	Y124-L301 HydrophobicContact CD2-CD2 3.72Å; Y124-L301 HydrophobicContact CE2-CD2 3.73Å; L127-L301 HydrophobicContact CB-CD2 3.65Å; L127-L301 HydrophobicContact CB-CG 3.91Å; R128-L301 HydrophobicContact CB-CD2 4.49Å; K131-L301 HydrophobicContact CB-CD1 3.92Å; K131-L301 HydrophobicContact CD-CD1 3.56Å; K131-L301 HydrophobicContact CG-CD1 4.34Å; V297-L301 HydrophobicContact CG2-CD1 4.3Å; V297-L301 WeakPolarHBondContact O-CG 3.18Å; V297-L301 PolarHBondContact O-N 2.99Å; E298-L301 PolarHBondContact O-N 3.26Å; L301-H303 PolarHBondContact O-N 2.75Å; L301-H303 VanDerWaalsContact O-N 3.17Å; L301-Y310 VanDerWaalsContact C-CD2 3.47Å; L301-Y310 HydrophobicContact CB-CD2 4.26Å; L301-Y310 HydrophobicContact CB-CE2 4.19Å; L301-Y310 WeakPolarHBondContact O-CD2 3.34Å; L301-E315 HydrophobicContact CD1-CG 4.49Å
302	A	98	Very high	96.6	Very high	49 Å²	49	59.2 Å²	59.2	41%	0.405	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-0.1	176.4	0	0	0	0	0	114.4	E298 E299 A300 Y310	E298-A302 WeakPolarHBondContact O-CB 3.28Å; E298-A302 PolarHBondContact O-N 2.78Å; E298-A302 VanDerWaalsContact O-N 3.08Å; E299-A302 PolarHBondContact O-N 3.39Å; A300-A302 VanDerWaalsContact C-N 3.33Å; A300-A302 PolarHBondContact O-N 2.88Å; A302-Y310 HydrophobicContact CB-CE1 4.28Å; A302-Y310 HydrophobicContact CB-CE2 3.95Å
303	H	98.6	Very high	96.6	Very high	13 Å²	13	58.5 Å²	58.5	6%	0.06	31%	0.311	C	S	.	.	S	Bend	trans	-69.7	142.6	-176.7	-171.7	-91.2	0	0	0	111.8	K278 D281 L282 E299 A300 L301 Y305 F306	K278-H303 PolarHBondContact O-CE1 2.9Å; D281-H303 IonicContact OD2-CD2 3.98Å; D281-H303 IonicContact OD2-CE1 3.03Å; D281-H303 IonicContact OD2-NE2 3.63Å; D281-H303 PolarHBondContact OD2-NE2 3.12Å; L282-H303 HydrophobicContact CD1-CB 4.05Å; E299-H303 PolarHBondContact O-N 3.2Å; A300-H303 WeakPolarHBondContact O-CB 3.4Å; A300-H303 PolarHBondContact O-N 3.28Å; A300-H303 VanDerWaalsContact O-N 3.16Å; L301-H303 PolarHBondContact O-N 2.75Å; L301-H303 VanDerWaalsContact O-N 3.17Å; H303-Y305 WeakPolarHBondContact ND1-CB 3.24Å; H303-Y305 PolarHBondContact ND1-N 2.92Å; H303-Y305 VanDerWaalsContact ND1-N 3.1Å; H303-Y305 PolarHBondContact O-N 3.42Å; H303-F306 HydrophobicContact CB-CD2 4.37Å; H303-F306 PolarHBondContact O-N 3.46Å
304	P	98.2	Very high	96.6	Very high	72 Å²	72	58 Å²	58	47%	0.468	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-56.8	-12.2	179	-28.3	35.7	0	0	0	116.6	K278 F306	K278-P304 HydrophobicContact CD-CB 4.36Å; K278-P304 WeakPolarHBondContact CD-O 3.33Å; K278-P304 WeakPolarHBondContact CE-O 3.43Å; K278-P304 PolarHBondContact NZ-O 2.85Å; P304-F306 VanDerWaalsContact C-N 3.27Å
305	Y	98.5	Very high	96.5	Very high	24 Å²	24	57.9 Å²	57.9	9%	0.094	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-67.6	-28.2	173	-177.1	-103.6	0	0	0	112.1	C120 L123 F211 K278 T279 L282 H303	C120-Y305 HydrophobicContact CB-CE1 3.88Å; C120-Y305 PolarHBondContact SG-O 2.84Å; L123-Y305 HydrophobicContact CD2-CD1 4.4Å; L123-Y305 HydrophobicContact CD2-CE1 3.96Å; F211-Y305 HydrophobicContact CE2-CE1 4.17Å; F211-Y305 AromaticContact CE2-CZ 3.94Å; F211-Y305 AromaticContact CZ-CE1 3.95Å; F211-Y305 HydrophobicContact CZ-CE1 3.95Å; F211-Y305 HydrophobicContact CZ-CE2 4.22Å; F211-Y305 AromaticContact CZ-CZ 3.76Å; K278-Y305 HydrophobicContact CB-CD2 4.2Å; T279-Y305 HydrophobicContact CG2-CE2 4.43Å; T279-Y305 VanDerWaalsContact OG1-CE2 3.28Å; T279-Y305 WeakPolarHBondContact OG1-CE2 3.34Å; L282-Y305 HydrophobicContact CD2-CD1 3.44Å; L282-Y305 VanDerWaalsContact CD2-CD1 3.44Å; L282-Y305 HydrophobicContact CD2-CE1 4.19Å; L282-Y305 HydrophobicContact CD2-CG 3.83Å; H303-Y305 WeakPolarHBondContact ND1-CB 3.24Å; H303-Y305 PolarHBondContact ND1-N 2.92Å; H303-Y305 VanDerWaalsContact ND1-N 3.1Å; H303-Y305 PolarHBondContact O-N 3.42Å
306	F	98.2	Very high	96.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-102.3	17.5	179.4	-56	-66.5	0	0	0	113.5	L123 Y124 L127 L282 A300 H303 P304 H308 Y309 Y310	L123-F306 HydrophobicContact CB-CE1 4.05Å; L123-F306 HydrophobicContact CB-CZ 4.22Å; L123-F306 HydrophobicContact CD2-CE1 4.05Å; L123-F306 HydrophobicContact CD2-CZ 3.57Å; L123-F306 HydrophobicContact CG-CE1 4.03Å; L123-F306 HydrophobicContact CG-CZ 3.68Å; Y124-F306 HydrophobicContact CD2-CB 4.43Å; Y124-F306 HydrophobicContact CD2-CD1 4.26Å; Y124-F306 HydrophobicContact CD2-CG 4.39Å; L127-F306 HydrophobicContact CD1-CE2 3.49Å; L127-F306 VanDerWaalsContact CD1-CE2 3.49Å; L127-F306 HydrophobicContact CD1-CZ 3.45Å; L127-F306 VanDerWaalsContact CD1-CZ 3.45Å; L282-F306 HydrophobicContact CD1-CE2 4.49Å; L282-F306 HydrophobicContact CD2-CD2 4.49Å; L282-F306 HydrophobicContact CD2-CE2 3.52Å; L282-F306 HydrophobicContact CD2-CZ 3.59Å; A300-F306 WeakPolarHBondContact O-CD2 3.5Å; A300-F306 WeakPolarHBondContact O-CE2 3.36Å; H303-F306 HydrophobicContact CB-CD2 4.37Å; H303-F306 PolarHBondContact O-N 3.46Å; P304-F306 VanDerWaalsContact C-N 3.27Å; F306-H308 PolarHBondContact O-N 3.34Å; F306-Y309 PolarHBondContact O-N 2.98Å; F306-Y310 WeakPolarHBondContact O-CB 3.46Å; F306-Y310 PolarHBondContact O-N 2.94Å
307	E	95.8	Very high	96.4	Very high	128 Å²	128	61.1 Å²	61.1	60%	0.598	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-30.4	-175.1	-176.6	175.6	-175.1	0	0	114.2	K278	K278-E307 IonicContact NZ-OE2 2.74Å; K278-E307 PolarHBondContact NZ-OE2 3.47Å
308	H	94.3	Very high	96.2	Very high	175 Å²	175	61.6 Å²	61.6	81%	0.81	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-18.8	178.5	-62.9	-53.9	0	0	0	115.3	F306	F306-H308 PolarHBondContact O-N 3.34Å
309	Y	93.8	Very high	95.9	Very high	65 Å²	65	67.8 Å²	67.8	26%	0.255	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-21.5	-176.2	-61.9	-64.8	0	0	0	113.3	C120 Y121 Y124 F306 D311	C120-Y309 HydrophobicContact CB-CE2 4.17Å; Y121-Y309 HydrophobicContact CD2-CD1 4.08Å; Y121-Y309 AromaticContact CD2-CE1 3.67Å; Y121-Y309 HydrophobicContact CD2-CE1 3.67Å; Y121-Y309 AromaticContact CD2-CZ 3.92Å; Y121-Y309 HydrophobicContact CE2-CE1 4.27Å; Y121-Y309 HydrophobicContact CG-CE1 4.47Å; Y124-Y309 HydrophobicContact CD1-CG 4.45Å; Y124-Y309 HydrophobicContact CG-CG 4.43Å; Y124-Y309 VanDerWaalsContact CZ-O 3.26Å; Y124-Y309 PolarHBondContact OH-O 3.38Å; F306-Y309 PolarHBondContact O-N 2.98Å; Y309-D311 PolarHBondContact O-N 3.03Å; Y309-D311 VanDerWaalsContact O-N 3.1Å
310	Y	92.6	Very high	95.5	Very high	97 Å²	97	69.6 Å²	69.6	38%	0.38	36%	0.362	S	S	.	.			trans	-62.5	111.4	-174.4	179.6	-120	0	0	0	111.3	L301 A302 F306 P312 E315	L301-Y310 VanDerWaalsContact C-CD2 3.47Å; L301-Y310 HydrophobicContact CB-CD2 4.26Å; L301-Y310 HydrophobicContact CB-CE2 4.19Å; L301-Y310 WeakPolarHBondContact O-CD2 3.34Å; A302-Y310 HydrophobicContact CB-CE1 4.28Å; A302-Y310 HydrophobicContact CB-CE2 3.95Å; F306-Y310 WeakPolarHBondContact O-CB 3.46Å; F306-Y310 PolarHBondContact O-N 2.94Å; Y310-P312 HydrophobicContact CE1-CG 3.78Å; Y310-P312 HydrophobicContact CE2-CG 3.88Å; Y310-P312 VanDerWaalsContact CZ-CG 3.43Å; Y310-P312 WeakPolarHBondContact OH-CG 3.15Å; Y310-E315 WeakPolarHBondContact CD2-OE1 3.39Å; Y310-E315 WeakPolarHBondContact CE2-OE1 3.29Å
311	D	94.1	Very high	95.2	Very high	67 Å²	67	73.1 Å²	73.1	36%	0.358	39%	0.385	S	S	.	.			trans	-139.6	97.6	174.2	-177.3	-6.5	0	0	0	109.7	Y309 S313 D314 E315	Y309-D311 PolarHBondContact O-N 3.03Å; Y309-D311 VanDerWaalsContact O-N 3.1Å; D311-S313 VanDerWaalsContact CG-OG 3.32Å; D311-S313 PolarHBondContact O-N 2.87Å; D311-S313 WeakPolarHBondContact OD1-CA 3.17Å; D311-S313 WeakPolarHBondContact OD1-CB 3.45Å; D311-S313 PolarHBondContact OD1-N 2.74Å; D311-S313 PolarHBondContact OD1-OG 3.09Å; D311-S313 PolarHBondContact OD2-OG 2.93Å; D311-D314 HydrophobicContact CB-CB 4.15Å; D311-D314 CarbonylContact O-C 3.34Å; D311-D314 PolarHBondContact O-N 2.97Å; D311-D314 PolarHBondContact OD1-N 2.85Å; D311-E315 VanDerWaalsContact O-CG 3.3Å; D311-E315 WeakPolarHBondContact O-CG 3.41Å; D311-E315 PolarHBondContact O-N 2.71Å
312	P	93.2	Very high	94.8	Very high	71 Å²	71	74.1 Å²	74.1	46%	0.461	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-55.2	-26.4	177.6	-29.4	37	0	0	0	114.7	Y310 D314 E315	Y310-P312 HydrophobicContact CE1-CG 3.78Å; Y310-P312 HydrophobicContact CE2-CG 3.88Å; Y310-P312 VanDerWaalsContact CZ-CG 3.43Å; Y310-P312 WeakPolarHBondContact OH-CG 3.15Å; P312-D314 VanDerWaalsContact C-N 3.35Å; P312-E315 PolarHBondContact O-N 2.92Å
313	S	93.5	Very high	94.3	Very high	107 Å²	107	74 Å²	74	75%	0.748	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-76.8	-25.1	179.7	76.4	0	0	0	0	112.7	D311	D311-S313 VanDerWaalsContact CG-OG 3.32Å; D311-S313 PolarHBondContact O-N 2.87Å; D311-S313 WeakPolarHBondContact OD1-CA 3.17Å; D311-S313 WeakPolarHBondContact OD1-CB 3.45Å; D311-S313 PolarHBondContact OD1-N 2.74Å; D311-S313 PolarHBondContact OD1-OG 3.09Å; D311-S313 PolarHBondContact OD2-OG 2.93Å
314	D	93.9	Very high	93.3	Very high	76 Å²	76	76.5 Å²	76.5	41%	0.406	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-100.1	17.6	173	-171.9	37.5	0	0	0	112.4	R128 D311 P312 P316	R128-D314 IonicContact CZ-OD1 3.18Å; R128-D314 PolarHBondContact NE-O 3.02Å; R128-D314 IonicContact NE-OD2 3.75Å; R128-D314 PolarHBondContact NH2-O 3.3Å; R128-D314 IonicContact NH2-OD1 3.72Å; R128-D314 PolarHBondContact NH2-OD1 3.4Å; R128-D314 IonicContact NH2-OD2 2.9Å; D311-D314 HydrophobicContact CB-CB 4.15Å; D311-D314 CarbonylContact O-C 3.34Å; D311-D314 PolarHBondContact O-N 2.97Å; D311-D314 PolarHBondContact OD1-N 2.85Å; P312-D314 VanDerWaalsContact C-N 3.35Å; D314-P316 VanDerWaalsContact C-CD 3.46Å; D314-P316 VanDerWaalsContact O-CD 3.22Å; D314-P316 WeakPolarHBondContact O-CD 3.29Å
315	E	95.9	Very high	92.4	Very high	6 Å²	6	79.7 Å²	79.7	3%	0.028	41%	0.405	C	S	.	.	S	Bend	trans	-117.4	73.8	176.3	-71.5	170.1	-170.6	0	0	110.7	R128 K131 L301 Y310 D311 P312	R128-E315 HydrophobicContact CG-CG 4.31Å; K131-E315 HydrophobicContact CD-CB 4.07Å; K131-E315 WeakPolarHBondContact CE-O 3.29Å; K131-E315 PolarHBondContact NZ-O 3.23Å; K131-E315 IonicContact NZ-OE2 3.44Å; K131-E315 PolarHBondContact NZ-OE2 3.08Å; L301-E315 HydrophobicContact CD1-CG 4.49Å; Y310-E315 WeakPolarHBondContact CD2-OE1 3.39Å; Y310-E315 WeakPolarHBondContact CE2-OE1 3.29Å; D311-E315 VanDerWaalsContact O-CG 3.3Å; D311-E315 WeakPolarHBondContact O-CG 3.41Å; D311-E315 PolarHBondContact O-N 2.71Å; P312-E315 PolarHBondContact O-N 2.92Å
316	P	96.3	Very high	91.4	Very high	55 Å²	55	80.9 Å²	80.9	36%	0.357	41%	0.412	S	S	.	.			trans	-68.2	157.3	-169.9	29.2	-36.8	0	0	0	112.9	Y132 D314	Y132-P316 HydrophobicContact CD2-CG 4.49Å; D314-P316 VanDerWaalsContact C-CD 3.46Å; D314-P316 VanDerWaalsContact O-CD 3.22Å; D314-P316 WeakPolarHBondContact O-CD 3.29Å
317	V	97.1	Very high	90.3	Very high	83 Å²	83	81.6 Å²	81.6	50%	0.503	42%	0.415	S	S	.	.			trans	-110.8	154.7	171.9	-65.1	0	0	0	0	110.3	S135 K319	S135-V317 WeakPolarHBondContact OG-CA 3.13Å; S135-V317 WeakPolarHBondContact OG-CB 3.34Å; V317-K319 PolarHBondContact O-N 3.24Å
318	A	94.8	Very high	89.2	Confident	13 Å²	13	78.7 Å²	78.7	11%	0.107	40%	0.403	C	S	.	.			trans	-63.7	135	176.4	0	0	0	0	0	110.8	Y132 S135 A136 K320	Y132-A318 HydrophobicContact CD1-CB 4.45Å; Y132-A318 HydrophobicContact CE1-CB 4Å; Y132-A318 HydrophobicContact CE2-CB 4.15Å; S135-A318 PolarHBondContact OG-N 2.87Å; A136-A318 HydrophobicContact CB-CB 3.47Å; A136-A318 VanDerWaalsContact CB-CB 3.47Å; A318-K320 VanDerWaalsContact C-N 3.3Å; A318-K320 PolarHBondContact O-N 2.97Å
319	K	91.5	Very high	88.3	Confident	213 Å²	213	72.9 Å²	72.9	93%	0.926	38%	0.378	S	S	*	.	S	Bend	trans	-67.7	-31	-178.3	-65.5	179.5	-179.2	174.4	0	113.1	V317	V317-K319 PolarHBondContact O-N 3.24Å
320	K	89.8	Confident	87.6	Confident	148 Å²	148	75.5 Å²	75.5	64%	0.643	40%	0.397	S	S	*	.	S	Bend	trans	-136.1	121.5	-178.9	-172.2	-171	173.1	-158.9	0	109.1	A318	A318-K320 VanDerWaalsContact C-N 3.3Å; A318-K320 PolarHBondContact O-N 2.97Å
321	P	92.1	Very high	87.3	Confident	74 Å²	74	72.5 Å²	72.5	48%	0.481	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-71.6	149.2	170.6	30.1	-33.3	0	0	0	110.9	A136 N137	A136-P321 CarbonylContact O-C 3.59Å; A136-P321 WeakPolarHBondContact O-CA 3.32Å; N137-P321 HydrophobicContact CB-CB 3.82Å
322	F	90.5	Very high	87.2	Confident	21 Å²	21	72.7 Å²	72.7	9%	0.092	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-71.5	138	169.2	-72	-91.8	0	0	0	109.9	K65 I66 F70 A136 V138 V166 E326	K65-F322 HydrophobicContact CG-CE1 4.42Å; I66-F322 HydrophobicContact CG1-CZ 4.49Å; F70-F322 HydrophobicContact CD1-CE2 4.17Å; F70-F322 HydrophobicContact CE1-CD2 4.43Å; F70-F322 AromaticContact CE1-CE2 3.62Å; F70-F322 HydrophobicContact CE1-CE2 3.62Å; F70-F322 HydrophobicContact CZ-CE2 4.29Å; A136-F322 HydrophobicContact CB-CD2 4.15Å; A136-F322 HydrophobicContact CB-CE2 4.38Å; A136-F322 PolarHBondContact O-N 3.03Å; V138-F322 HydrophobicContact CG2-CB 4.38Å; V138-F322 HydrophobicContact CG2-CD2 3.5Å; V138-F322 HydrophobicContact CG2-CE2 4.09Å; V138-F322 HydrophobicContact CG2-CG 4.15Å; V166-F322 HydrophobicContact CG2-CB 3.88Å; F322-E326 WeakPolarHBondContact CA-OE2 3.44Å
323	S	87	Confident	87.1	Confident	47 Å²	47	71.2 Å²	71.2	33%	0.329	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-93.8	154.9	174.5	86.5	0	0	0	0	111.1	E325 E326	S323-E325 WeakPolarHBondContact CB-OE2 3.46Å; S323-E325 PolarHBondContact O-N 3.41Å; S323-E325 PolarHBondContact OG-OE2 3.33Å; S323-E326 PolarHBondContact N-OE2 3.29Å; S323-E326 WeakPolarHBondContact O-CB 3.32Å; S323-E326 PolarHBondContact O-N 2.57Å
324	F	79	Confident	87	Confident	64 Å²	64	73.7 Å²	73.7	28%	0.281	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-62	-30.5	-178.8	179.6	-102.4	0	0	0	112.1	D168 H171 E326 E327	D168-F324 HydrophobicContact CB-CB 4.49Å; D168-F324 HydrophobicContact CB-CD2 3.81Å; D168-F324 HydrophobicContact CB-CE2 4.47Å; D168-F324 HydrophobicContact CB-CG 4.38Å; D168-F324 WeakPolarHBondContact OD2-CB 3.41Å; D168-F324 WeakPolarHBondContact OD2-CD2 3.41Å; D168-F324 VanDerWaalsContact OD2-CG 3.24Å; D168-F324 WeakPolarHBondContact OD2-CG 3.36Å; H171-F324 HydrophobicContact CB-CD2 4.35Å; H171-F324 HydrophobicContact CB-CE2 3.67Å; H171-F324 HydrophobicContact CB-CZ 3.8Å; H171-F324 AromaticContact CD2-CE1 3.57Å; H171-F324 AromaticContact CD2-CZ 3.4Å; H171-F324 WeakPolarHBondContact CD2-CZ 3.2Å; H171-F324 AromaticContact CE1-CD1 3.62Å; H171-F324 AromaticContact CE1-CE1 3.41Å; H171-F324 VanDerWaalsContact CE1-CE1 3.41Å; H171-F324 WeakPolarHBondContact CE1-CE1 3.35Å; H171-F324 AromaticContact CE1-CZ 3.93Å; H171-F324 AromaticContact CG-CE1 3.67Å; H171-F324 AromaticContact CG-CE2 3.64Å; H171-F324 AromaticContact CG-CZ 3.33Å; H171-F324 AromaticContact ND1-CD1 3.72Å; H171-F324 AromaticContact ND1-CE1 3.57Å; H171-F324 AromaticContact ND1-CE2 3.92Å; H171-F324 AromaticContact ND1-CG 3.96Å; H171-F324 AromaticContact ND1-CZ 3.67Å; H171-F324 AromaticContact NE2-CE1 3.41Å; H171-F324 WeakPolarHBondContact NE2-CE1 3.41Å; H171-F324 AromaticContact NE2-CZ 3.79Å; F324-E326 PolarHBondContact O-N 2.59Å; F324-E326 VanDerWaalsContact O-N 3.09Å; F324-E327 WeakPolarHBondContact O-CB 3.34Å; F324-E327 PolarHBondContact O-N 3.01Å
325	E	78.4	Confident	86.9	Confident	139 Å²	139	74.6 Å²	74.6	65%	0.65	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-60.7	-18.8	174.8	-56.3	82.7	179.4	0	0	112.9	S323 L328	S323-E325 WeakPolarHBondContact CB-OE2 3.46Å; S323-E325 PolarHBondContact O-N 3.41Å; S323-E325 PolarHBondContact OG-OE2 3.33Å; E325-L328 WeakPolarHBondContact O-CD2 3.4Å; E325-L328 WeakPolarHBondContact O-CG 3.41Å
326	E	78	Confident	86.8	Confident	50 Å²	50	74.3 Å²	74.3	23%	0.234	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-84.5	-14.6	175.6	-58.9	-178.7	93.2	0	0	113.3	F322 S323 F324 L328	F322-E326 WeakPolarHBondContact CA-OE2 3.44Å; S323-E326 PolarHBondContact N-OE2 3.29Å; S323-E326 WeakPolarHBondContact O-CB 3.32Å; S323-E326 PolarHBondContact O-N 2.57Å; F324-E326 PolarHBondContact O-N 2.59Å; F324-E326 VanDerWaalsContact O-N 3.09Å; E326-L328 VanDerWaalsContact C-N 3.29Å; E326-L328 PolarHBondContact O-N 2.88Å
327	E	75.4	Confident	86.7	Confident	14 Å²	14	73 Å²	73	7%	0.065	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-29.1	-177.4	-172.8	163.1	138	0	0	112.5	R165 V166 H173 F324 D329	R165-E327 VanDerWaalsContact CD-CD 3.46Å; R165-E327 WeakPolarHBondContact CD-OE1 3.27Å; R165-E327 IonicContact NE-OE1 2.86Å; R165-E327 PolarHBondContact NE-OE1 3.4Å; V166-E327 WeakPolarHBondContact CB-OE2 3.35Å; V166-E327 HydrophobicContact CG2-CB 4.3Å; V166-E327 PolarHBondContact N-OE2 3.14Å; H173-E327 IonicContact CE1-OE1 3.74Å; H173-E327 PolarHBondContact CE1-OE1 3Å; H173-E327 IonicContact CE1-OE2 3.5Å; H173-E327 PolarHBondContact CE1-OE2 3.37Å; H173-E327 IonicContact ND1-OE1 3.62Å; H173-E327 PolarHBondContact ND1-OE1 3.41Å; H173-E327 IonicContact ND1-OE2 2.68Å; F324-E327 WeakPolarHBondContact O-CB 3.34Å; F324-E327 PolarHBondContact O-N 3.01Å; E327-D329 PolarHBondContact O-N 3.39Å
328	L	71.9	Confident	86.5	Confident	67 Å²	67	73.8 Å²	73.8	35%	0.351	36%	0.36	S	S	.	.			trans	38.3	59.7	169.7	-66	177.2	0	0	0	113.5	Q58 E325 E326 L331 M339	Q58-L328 PolarHBondContact NE2-O 3.32Å; Q58-L328 PolarHBondContact OE1-O 2.97Å; E325-L328 WeakPolarHBondContact O-CD2 3.4Å; E325-L328 WeakPolarHBondContact O-CG 3.41Å; E326-L328 VanDerWaalsContact C-N 3.29Å; E326-L328 PolarHBondContact O-N 2.88Å; L328-L331 HydrophobicContact CB-CD1 3.89Å; L328-L331 HydrophobicContact CB-CG 4.41Å; L328-M339 HydrophobicContact CD1-CE 3.15Å; L328-M339 HydrophobicContact CD1-SD 4.31Å
329	D	76.6	Confident	86.3	Confident	53 Å²	53	74.7 Å²	74.7	28%	0.283	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	154.4	-176.9	-94.9	-0.7	0	0	0	112.9	R62 R165 E327 L331	R62-D329 IonicContact CZ-OD1 3.76Å; R62-D329 IonicContact NH2-OD1 3.41Å; R62-D329 PolarHBondContact NH2-OD1 2.92Å; R165-D329 IonicContact NE-OD2 2.79Å; R165-D329 IonicContact NH2-OD2 2.91Å; E327-D329 PolarHBondContact O-N 3.39Å; D329-L331 VanDerWaalsContact C-N 3.26Å; D329-L331 PolarHBondContact O-N 3.4Å
330	N	78.5	Confident	86.4	Confident	121 Å²	121	64.5 Å²	64.5	65%	0.647	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	19.8	176.6	-56.6	-48.8	0	0	0	116.3	Q54	Q54-N330 PolarHBondContact NE2-O 2.8Å
331	L	86.3	Confident	86.5	Confident	34 Å²	34	61.3 Å²	61.3	18%	0.178	30%	0.304	C	S	.	.			trans	-65.8	142.7	175.5	-63.2	-174.2	0	0	0	111.7	Q54 L328 D329 Q335 L336 M339	Q54-L331 PolarHBondContact NE2-O 3.09Å; L328-L331 HydrophobicContact CB-CD1 3.89Å; L328-L331 HydrophobicContact CB-CG 4.41Å; D329-L331 VanDerWaalsContact C-N 3.26Å; D329-L331 PolarHBondContact O-N 3.4Å; L331-Q335 HydrophobicContact CB-CB 4.42Å; L331-L336 HydrophobicContact CB-CD1 4.5Å; L331-L336 HydrophobicContact CB-CD2 4.06Å; L331-L336 HydrophobicContact CB-CG 3.94Å; L331-L336 HydrophobicContact CD1-CD2 4.28Å; L331-L336 WeakPolarHBondContact O-CD1 3.47Å; L331-M339 HydrophobicContact CD1-CE 4.46Å; L331-M339 HydrophobicContact CD1-SD 3.53Å; L331-M339 VanDerWaalsContact CD1-SD 3.53Å
332	P	90.7	Very high	86.4	Confident	71 Å²	71	63.2 Å²	63.2	46%	0.461	31%	0.307	S	S	.	.			trans	-58.6	145.9	171.9	-23.5	33.2	0	0	0	111.9	R334 Q335 L336	P332-R334 PolarHBondContact O-N 3.47Å; P332-Q335 WeakPolarHBondContact O-CB 3.41Å; P332-Q335 PolarHBondContact O-N 3.21Å; P332-L336 PolarHBondContact O-N 3.43Å; P332-L336 VanDerWaalsContact O-N 3.12Å
333	V	91	Very high	86.3	Confident	40 Å²	40	63.3 Å²	63.3	24%	0.242	31%	0.308	C	S	.	.	H	α-helix	trans	-48.1	-39.4	178.2	174.4	0	0	0	0	112.3	Q54 Q335 L336 K337	Q54-V333 HydrophobicContact CB-CG2 3.89Å; Q54-V333 HydrophobicContact CG-CG2 4.36Å; V333-Q335 VanDerWaalsContact C-N 3.33Å; V333-Q335 PolarHBondContact O-N 2.94Å; V333-L336 PolarHBondContact O-N 2.95Å; V333-K337 HydrophobicContact CG1-CD 4.34Å; V333-K337 HydrophobicContact CG1-CG 4.27Å; V333-K337 WeakPolarHBondContact O-CB 3.11Å; V333-K337 WeakPolarHBondContact O-CG 3.42Å; V333-K337 PolarHBondContact O-N 2.91Å
334	R	92.1	Very high	86.4	Confident	158 Å²	158	61.5 Å²	61.5	60%	0.596	30%	0.295	S	S	*	.	H	α-helix	trans	-62.8	-36.8	179.2	-168.1	177.5	-170.7	179.6	6	113.1	E89 P332 K338	E89-R334 IonicContact OE1-NH2 3.78Å; P332-R334 PolarHBondContact O-N 3.47Å; R334-K338 WeakPolarHBondContact O-CG 3.29Å; R334-K338 PolarHBondContact O-N 3.14Å
335	Q	92.7	Very high	86.8	Confident	96 Å²	96	61.8 Å²	61.8	45%	0.449	30%	0.304	S	S	.	.	H	α-helix	trans	-72.8	-44.5	175.7	-70.8	-177.3	-12.8	0	0	110.3	L331 P332 V333 K337 K338 M339	L331-Q335 HydrophobicContact CB-CB 4.42Å; P332-Q335 WeakPolarHBondContact O-CB 3.41Å; P332-Q335 PolarHBondContact O-N 3.21Å; V333-Q335 VanDerWaalsContact C-N 3.33Å; V333-Q335 PolarHBondContact O-N 2.94Å; Q335-K337 VanDerWaalsContact C-N 3.32Å; Q335-K337 PolarHBondContact O-N 3.33Å; Q335-K338 WeakPolarHBondContact O-CB 3.44Å; Q335-K338 PolarHBondContact O-N 3.42Å; Q335-M339 WeakPolarHBondContact O-CG 3.27Å; Q335-M339 PolarHBondContact O-N 2.82Å
336	L	92.5	Very high	87.2	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.7	-41.4	175.7	-67.7	168	0	0	0	112.5	Q54 C57 Q58 Y61 L331 P332 V333 K338 M339 I340	Q54-L336 HydrophobicContact CG-CD1 4.43Å; C57-L336 HydrophobicContact CB-CB 4.4Å; C57-L336 HydrophobicContact CB-CD1 3.99Å; C57-L336 WeakPolarHBondContact SG-CB 3.23Å; Q58-L336 HydrophobicContact CB-CD1 4.14Å; Y61-L336 HydrophobicContact CD1-CD2 4.18Å; Y61-L336 HydrophobicContact CG-CD2 4.34Å; L331-L336 HydrophobicContact CB-CD1 4.5Å; L331-L336 HydrophobicContact CB-CD2 4.06Å; L331-L336 HydrophobicContact CB-CG 3.94Å; L331-L336 HydrophobicContact CD1-CD2 4.28Å; L331-L336 WeakPolarHBondContact O-CD1 3.47Å; P332-L336 PolarHBondContact O-N 3.43Å; P332-L336 VanDerWaalsContact O-N 3.12Å; V333-L336 PolarHBondContact O-N 2.95Å; L336-K338 VanDerWaalsContact C-N 3.35Å; L336-K338 PolarHBondContact O-N 2.71Å; L336-M339 PolarHBondContact O-N 3.35Å; L336-I340 WeakPolarHBondContact O-CG1 3.26Å; L336-I340 PolarHBondContact O-N 2.87Å
337	K	93.8	Very high	87.6	Confident	28 Å²	28	63.3 Å²	63.3	12%	0.122	31%	0.311	C	S	.	.	H	α-helix	trans	-56	-46.6	172	-80.9	-173.3	163	-157.1	0	112.1	F51 L88 M91 V333 Q335 M339 I340 F341	F51-K337 VanDerWaalsContact CB-CE 3.46Å; F51-K337 HydrophobicContact CD1-CD 4.18Å; F51-K337 HydrophobicContact CD1-CG 3.5Å; F51-K337 HydrophobicContact CE1-CG 3.81Å; F51-K337 VanDerWaalsContact CG-CE 3.49Å; F51-K337 HydrophobicContact CG-CG 4.3Å; L88-K337 HydrophobicContact CD2-CB 4.12Å; L88-K337 VanDerWaalsContact O-CD 3.29Å; L88-K337 WeakPolarHBondContact O-CD 3.44Å; L88-K337 PolarHBondContact O-NZ 3.4Å; M91-K337 HydrophobicContact CB-CD 4.5Å; M91-K337 HydrophobicContact CE-CB 4.05Å; M91-K337 HydrophobicContact CE-CG 4.14Å; M91-K337 WeakPolarHBondContact CE-O 3.39Å; M91-K337 PolarHBondContact O-NZ 3.07Å; M91-K337 HydrophobicContact SD-CB 4.1Å; M91-K337 HydrophobicContact SD-CG 4.37Å; V333-K337 HydrophobicContact CG1-CD 4.34Å; V333-K337 HydrophobicContact CG1-CG 4.27Å; V333-K337 WeakPolarHBondContact O-CB 3.11Å; V333-K337 WeakPolarHBondContact O-CG 3.42Å; V333-K337 PolarHBondContact O-N 2.91Å; Q335-K337 VanDerWaalsContact C-N 3.32Å; Q335-K337 PolarHBondContact O-N 3.33Å; K337-M339 VanDerWaalsContact C-N 3.3Å; K337-M339 PolarHBondContact O-N 2.81Å; K337-I340 PolarHBondContact O-N 3.21Å; K337-F341 VanDerWaalsContact O-CB 3.32Å; K337-F341 WeakPolarHBondContact O-CB 3.34Å; K337-F341 PolarHBondContact O-N 3.23Å
338	K	93	Very high	87.3	Confident	99 Å²	99	70.1 Å²	70.1	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-60.5	-42.2	177.3	-73.1	177.4	177.9	-171.8	0	111.8	L88 R334 Q335 L336 F341 Q342	L88-K338 HydrophobicContact CD1-CD 4.23Å; L88-K338 HydrophobicContact CD1-CG 3.5Å; L88-K338 HydrophobicContact CD2-CB 4.37Å; L88-K338 HydrophobicContact CD2-CG 3.78Å; L88-K338 HydrophobicContact CG-CG 4.32Å; R334-K338 WeakPolarHBondContact O-CG 3.29Å; R334-K338 PolarHBondContact O-N 3.14Å; Q335-K338 WeakPolarHBondContact O-CB 3.44Å; Q335-K338 PolarHBondContact O-N 3.42Å; L336-K338 VanDerWaalsContact C-N 3.35Å; L336-K338 PolarHBondContact O-N 2.71Å; K338-F341 PolarHBondContact O-N 3.38Å; K338-Q342 VanDerWaalsContact O-CG 3.26Å; K338-Q342 WeakPolarHBondContact O-CG 3.37Å; K338-Q342 PolarHBondContact O-N 2.82Å
339	M	92.1	Very high	87.4	Confident	31 Å²	31	69.5 Å²	69.5	15%	0.153	33%	0.331	C	S	.	.	H	α-helix	trans	-69.5	-44.8	-178.7	-64.8	175.5	75.7	0	0	111.8	Y61 L328 L331 Q335 L336 K337 F341 Q342 E343	Y61-M339 HydrophobicContact CD2-CB 3.95Å; Y61-M339 HydrophobicContact CE1-CE 3.57Å; Y61-M339 HydrophobicContact CE1-SD 4.47Å; Y61-M339 HydrophobicContact CE2-CB 3.61Å; Y61-M339 HydrophobicContact CE2-CE 4.01Å; Y61-M339 WeakPolarHBondContact OH-CE 3.26Å; L328-M339 HydrophobicContact CD1-CE 3.15Å; L328-M339 HydrophobicContact CD1-SD 4.31Å; L331-M339 HydrophobicContact CD1-CE 4.46Å; L331-M339 HydrophobicContact CD1-SD 3.53Å; L331-M339 VanDerWaalsContact CD1-SD 3.53Å; Q335-M339 WeakPolarHBondContact O-CG 3.27Å; Q335-M339 PolarHBondContact O-N 2.82Å; L336-M339 PolarHBondContact O-N 3.35Å; K337-M339 VanDerWaalsContact C-N 3.3Å; K337-M339 PolarHBondContact O-N 2.81Å; M339-F341 VanDerWaalsContact C-N 3.31Å; M339-F341 PolarHBondContact O-N 2.91Å; M339-Q342 WeakPolarHBondContact O-CB 3.33Å; M339-Q342 PolarHBondContact O-N 3.48Å; M339-Q342 VanDerWaalsContact O-N 3.14Å; M339-E343 WeakPolarHBondContact O-CG 3.41Å; M339-E343 PolarHBondContact O-N 3.2Å
340	I	93	Very high	86.6	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-57.8	-46.6	172.3	-69.8	168	0	0	0	110	F51 Y61 L64 M91 V94 L336 K337 Q342 E343 V344	F51-I340 HydrophobicContact CE1-CD1 3.85Å; Y61-I340 HydrophobicContact CD2-CG1 3.88Å; Y61-I340 HydrophobicContact CG-CG1 4.34Å; L64-I340 HydrophobicContact CD1-CG2 4.24Å; M91-I340 HydrophobicContact CE-CB 4.39Å; M91-I340 HydrophobicContact CE-CG2 4.2Å; V94-I340 HydrophobicContact CG2-CG2 4.27Å; L336-I340 WeakPolarHBondContact O-CG1 3.26Å; L336-I340 PolarHBondContact O-N 2.87Å; K337-I340 PolarHBondContact O-N 3.21Å; I340-Q342 VanDerWaalsContact C-N 3.28Å; I340-Q342 PolarHBondContact O-N 3.43Å; I340-E343 PolarHBondContact O-N 3.26Å; I340-V344 HydrophobicContact CG2-CG2 4.26Å; I340-V344 WeakPolarHBondContact O-CB 3.49Å; I340-V344 VanDerWaalsContact O-CG2 3.23Å; I340-V344 WeakPolarHBondContact O-CG2 3.46Å; I340-V344 PolarHBondContact O-N 3.4Å
341	F	91.5	Very high	85.6	Confident	80 Å²	80	71 Å²	71	35%	0.351	35%	0.345	S	S	.	.	H	α-helix	trans	-57.9	-40.7	177	-175.7	-85.3	0	0	0	112.2	L83 L88 M91 K337 K338 M339 S345	L83-F341 HydrophobicContact CD2-CB 4.41Å; L83-F341 HydrophobicContact CD2-CD2 3.62Å; L83-F341 HydrophobicContact CD2-CE2 4.38Å; L83-F341 HydrophobicContact CD2-CG 4.44Å; L88-F341 HydrophobicContact CD2-CB 4.25Å; M91-F341 HydrophobicContact CE-CB 4.5Å; M91-F341 HydrophobicContact SD-CB 4.33Å; M91-F341 HydrophobicContact SD-CD2 4.4Å; K337-F341 VanDerWaalsContact O-CB 3.32Å; K337-F341 WeakPolarHBondContact O-CB 3.34Å; K337-F341 PolarHBondContact O-N 3.23Å; K338-F341 PolarHBondContact O-N 3.38Å; M339-F341 VanDerWaalsContact C-N 3.31Å; M339-F341 PolarHBondContact O-N 2.91Å; F341-S345 WeakPolarHBondContact CE1-OG 3.46Å; F341-S345 VanDerWaalsContact O-CB 3.29Å; F341-S345 WeakPolarHBondContact O-CB 3.32Å; F341-S345 PolarHBondContact O-N 3.01Å; F341-S345 PolarHBondContact O-OG 2.92Å
342	Q	90.5	Very high	85.6	Confident	114 Å²	114	72.8 Å²	72.8	53%	0.533	35%	0.353	S	S	.	.	H	α-helix	trans	-66.8	-49.3	177.2	-75.4	170.3	-18.3	0	0	112.5	K338 M339 I340 V344 S345 Q346	K338-Q342 VanDerWaalsContact O-CG 3.26Å; K338-Q342 WeakPolarHBondContact O-CG 3.37Å; K338-Q342 PolarHBondContact O-N 2.82Å; M339-Q342 WeakPolarHBondContact O-CB 3.33Å; M339-Q342 PolarHBondContact O-N 3.48Å; M339-Q342 VanDerWaalsContact O-N 3.14Å; I340-Q342 VanDerWaalsContact C-N 3.28Å; I340-Q342 PolarHBondContact O-N 3.43Å; Q342-V344 VanDerWaalsContact C-N 3.32Å; Q342-V344 PolarHBondContact O-N 3.43Å; Q342-S345 PolarHBondContact O-N 3.04Å; Q342-Q346 WeakPolarHBondContact O-CG 3.42Å; Q342-Q346 PolarHBondContact O-N 3.35Å
343	E	89	Confident	85.3	Confident	24 Å²	24	72.9 Å²	72.9	11%	0.112	35%	0.348	C	S	.	.	H	α-helix	trans	-58.5	-45.4	177.5	-66.1	-68.8	168.1	0	0	110.6	Y61 K65 L68 M339 I340 S345 Q346 F347	Y61-E343 HydrophobicContact CE2-CG 3.78Å; K65-E343 WeakPolarHBondContact CD-OE1 3.44Å; K65-E343 IonicContact NZ-OE1 2.81Å; K65-E343 PolarHBondContact NZ-OE1 2.94Å; K65-E343 IonicContact NZ-OE2 3.95Å; L68-E343 HydrophobicContact CD1-CB 4.39Å; M339-E343 WeakPolarHBondContact O-CG 3.41Å; M339-E343 PolarHBondContact O-N 3.2Å; I340-E343 PolarHBondContact O-N 3.26Å; E343-S345 PolarHBondContact O-N 3.33Å; E343-Q346 PolarHBondContact O-N 2.82Å; E343-F347 WeakPolarHBondContact O-CB 3.29Å; E343-F347 PolarHBondContact O-N 3.12Å
344	V	88.8	Confident	85	Confident	9 Å²	9	74.7 Å²	74.7	6%	0.055	35%	0.354	C	S	.	.	H	α-helix	trans	-62.8	-43.7	176.8	175.3	0	0	0	0	111.3	I81 L83 I340 Q342 Q346 F347 R348	I81-V344 HydrophobicContact CB-CG1 4.38Å; I81-V344 HydrophobicContact CB-CG2 4.05Å; I81-V344 HydrophobicContact CD1-CG2 4.32Å; I81-V344 HydrophobicContact CG2-CG1 4.4Å; I81-V344 HydrophobicContact CG2-CG2 3.52Å; L83-V344 HydrophobicContact CB-CG1 4.2Å; I340-V344 HydrophobicContact CG2-CG2 4.26Å; I340-V344 WeakPolarHBondContact O-CB 3.49Å; I340-V344 VanDerWaalsContact O-CG2 3.23Å; I340-V344 WeakPolarHBondContact O-CG2 3.46Å; I340-V344 PolarHBondContact O-N 3.4Å; Q342-V344 VanDerWaalsContact C-N 3.32Å; Q342-V344 PolarHBondContact O-N 3.43Å; V344-Q346 VanDerWaalsContact C-N 3.29Å; V344-Q346 PolarHBondContact O-N 3.3Å; V344-F347 PolarHBondContact O-N 3.4Å; V344-R348 WeakPolarHBondContact O-CB 3.44Å; V344-R348 PolarHBondContact O-N 2.85Å
345	S	87	Confident	84.6	Confident	69 Å²	69	69.8 Å²	69.8	48%	0.483	34%	0.339	S	S	.	.	H	α-helix	trans	-66.1	-31.5	-179.7	-60.9	0	0	0	0	112.9	F341 Q342 E343	F341-S345 WeakPolarHBondContact CE1-OG 3.46Å; F341-S345 VanDerWaalsContact O-CB 3.29Å; F341-S345 WeakPolarHBondContact O-CB 3.32Å; F341-S345 PolarHBondContact O-N 3.01Å; F341-S345 PolarHBondContact O-OG 2.92Å; Q342-S345 PolarHBondContact O-N 3.04Å; E343-S345 PolarHBondContact O-N 3.33Å
346	Q	86.8	Confident	84	Confident	156 Å²	156	68.2 Å²	68.2	73%	0.729	33%	0.333	S	S	*	.	H	α-helix	trans	-76.7	-33.2	176.3	-71.6	176.2	10	0	0	112.4	Q342 E343 V344	Q342-Q346 WeakPolarHBondContact O-CG 3.42Å; Q342-Q346 PolarHBondContact O-N 3.35Å; E343-Q346 PolarHBondContact O-N 2.82Å; V344-Q346 VanDerWaalsContact C-N 3.29Å; V344-Q346 PolarHBondContact O-N 3.3Å
347	F	85.9	Confident	83.5	Confident	65 Å²	65	72.7 Å²	72.7	29%	0.285	36%	0.355	S	S	.	.	H	α-helix	trans	-88.6	-22.2	-177.6	-171.8	-107.9	0	0	0	114.1	L68 I78 I81 E343 V344 E349	L68-F347 HydrophobicContact CD2-CB 4.4Å; L68-F347 HydrophobicContact CD2-CD1 4.04Å; L68-F347 HydrophobicContact CD2-CD2 3.43Å; L68-F347 VanDerWaalsContact CD2-CD2 3.43Å; L68-F347 HydrophobicContact CD2-CE1 4.14Å; L68-F347 HydrophobicContact CD2-CE2 3.58Å; L68-F347 HydrophobicContact CD2-CG 3.68Å; L68-F347 HydrophobicContact CD2-CZ 3.95Å; I78-F347 HydrophobicContact CG2-CD1 4.4Å; I78-F347 HydrophobicContact CG2-CE1 3.72Å; I78-F347 HydrophobicContact CG2-CZ 4.2Å; I78-F347 VanDerWaalsContact O-CZ 3.28Å; I78-F347 WeakPolarHBondContact O-CZ 3.39Å; I81-F347 HydrophobicContact CD1-CB 4.43Å; I81-F347 HydrophobicContact CD1-CD1 3.82Å; I81-F347 HydrophobicContact CD1-CG 4.35Å; I81-F347 HydrophobicContact CG1-CD1 3.91Å; I81-F347 HydrophobicContact CG1-CE1 4.32Å; E343-F347 WeakPolarHBondContact O-CB 3.29Å; E343-F347 PolarHBondContact O-N 3.12Å; V344-F347 PolarHBondContact O-N 3.4Å; F347-E349 PolarHBondContact O-N 3.18Å; F347-E349 VanDerWaalsContact O-N 3.12Å
348	R	70.4	Confident	82.7	Confident	157 Å²	157	75.9 Å²	75.9	59%	0.592	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-49.6	117.9	-169	-173.3	171.6	-174.8	-174.1	2	112.7	V344 D351	V344-R348 WeakPolarHBondContact O-CB 3.44Å; V344-R348 PolarHBondContact O-N 2.85Å; R348-D351 IonicContact CZ-OD2 2.66Å; R348-D351 IonicContact NE-OD2 2.95Å; R348-D351 IonicContact NH2-OD2 3.56Å; R348-D351 PolarHBondContact NH2-OD2 2.69Å
349	E	72.6	Confident	82	Confident	54 Å²	54	74.2 Å²	74.2	25%	0.252	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-76.5	149.7	162.8	-65.3	-166.7	156.8	0	0	109.9	R16 R39 F347 D351	R16-E349 IonicContact CZ-OE2 3.87Å; R16-E349 IonicContact NH1-OE2 3.78Å; R16-E349 PolarHBondContact NH1-OE2 3.28Å; R16-E349 IonicContact NH2-OE2 3.04Å; R16-E349 PolarHBondContact NH2-OE2 3.14Å; R39-E349 IonicContact CZ-OE1 2.82Å; R39-E349 IonicContact CZ-OE2 3.4Å; R39-E349 IonicContact NE-OE1 2.85Å; R39-E349 IonicContact NE-OE2 3.33Å; R39-E349 PolarHBondContact NE-OE2 2.86Å; R39-E349 IonicContact NH2-OE1 2.94Å; R39-E349 PolarHBondContact NH2-OE1 3.16Å; R39-E349 IonicContact NH2-OE2 3.08Å; R39-E349 PolarHBondContact NH2-OE2 3.02Å; F347-E349 PolarHBondContact O-N 3.18Å; F347-E349 VanDerWaalsContact O-N 3.12Å; E349-D351 PolarHBondContact O-N 3.07Å
350	P	60.6	Low	81.1	Confident	112 Å²	112	77.8 Å²	77.8	73%	0.727	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-51.9	136.4	167.8	-21.3	31.6	0	0	0	111	R16	R16-P350 PolarHBondContact NH1-O 3.36Å
351	D	57.3	Low	80	Confident	93 Å²	93	84.8 Å²	84.8	50%	0.497	42%	0.42	S	S	.	.			trans	-68.5	0	171.1	-80.8	-58	0	0	0	111.8	S14 R348 E349	S14-D351 WeakPolarHBondContact CB-OD1 3.37Å; S14-D351 PolarHBondContact OG-OD1 2.93Å; S14-D351 VanDerWaalsContact OG-OD1 3.12Å; R348-D351 IonicContact CZ-OD2 2.66Å; R348-D351 IonicContact NE-OD2 2.95Å; R348-D351 IonicContact NH2-OD2 3.56Å; R348-D351 PolarHBondContact NH2-OD2 2.69Å; E349-D351 PolarHBondContact O-N 3.07Å

Retrieved 351 of 351 residues in 705.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).