A0A077Z1N0_TRITR Loading...

Reprolysin and Disintegrin and ADAM CR domain con taining protein

AlphaFold DB , UniProt , Accession A0A077Z1N0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 409 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	78.3	Confident	220 Å²	220	66.1 Å²	66.1	100%	1.084	33%	0.33	S	S	*	.				0	102.5	0	-167.2	168.4	60.8	0	0	105.6	M3	M1-M3 PolarHBondContact O-N 2.86Å
2	E	48.4	Very low	79.8	Confident	187 Å²	187	60.6 Å²	60.6	87%	0.874	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-68.8	120	178.9	-161	167.7	-165.1	0	0	106.8
3	M	65	Low	81	Confident	52 Å²	52	55.9 Å²	55.9	26%	0.256	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-76.6	133.1	179.7	-62.6	161.6	70.3	0	0	109.3	M1 K6 N47 F185 L186	M1-M3 PolarHBondContact O-N 2.86Å; M3-K6 HydrophobicContact CE-CD 4.35Å; M3-N47 PolarHBondContact O-ND2 3.44Å; M3-F185 HydrophobicContact CE-CE1 4Å; M3-L186 HydrophobicContact CE-CD2 3.25Å; M3-L186 HydrophobicContact CG-CD2 4.13Å; M3-L186 HydrophobicContact SD-CD2 3.05Å; M3-L186 WeakPolarHBondContact SD-CD2 3.5Å; M3-L186 HydrophobicContact SD-CG 4.42Å
4	D	73.4	Confident	82	Confident	123 Å²	123	51.9 Å²	51.9	66%	0.658	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-51.3	144.4	168.4	-63.3	-36.4	0	0	0	110.8	K6	D4-K6 WeakPolarHBondContact O-CD 3.28Å; D4-K6 WeakPolarHBondContact O-CE 3.46Å; D4-K6 PolarHBondContact O-N 2.85Å
5	T	84	Confident	82.8	Confident	69 Å²	69	48.5 Å²	48.5	42%	0.423	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-69	128.7	175.3	-62	0	0	0	0	109.5	F7 R49	T5-F7 HydrophobicContact CG2-CE1 4.14Å; T5-F7 HydrophobicContact CG2-CE2 4.32Å; T5-F7 HydrophobicContact CG2-CZ 3.91Å; T5-F7 WeakPolarHBondContact O-CE2 3.19Å; T5-R49 HydrophobicContact CG2-CG 3.62Å
6	K	89.2	Confident	83.5	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.017	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	159.7	176.2	-62.8	92.4	-174.2	-83.8	0	109.5	M3 D4 N47 V48 R49 L197	M3-K6 HydrophobicContact CE-CD 4.35Å; D4-K6 WeakPolarHBondContact O-CD 3.28Å; D4-K6 WeakPolarHBondContact O-CE 3.46Å; D4-K6 PolarHBondContact O-N 2.85Å; K6-N47 WeakPolarHBondContact CD-O 3.22Å; K6-N47 PolarHBondContact N-O 2.91Å; K6-V48 HydrophobicContact CB-CG2 4.02Å; K6-V48 HydrophobicContact CD-CG2 4.5Å; K6-V48 CarbonylContact O-C 3.47Å; K6-V48 WeakPolarHBondContact O-CA 3.26Å; K6-R49 PolarHBondContact O-N 3.14Å; K6-L197 CarbonylContact C-O 3.55Å; K6-L197 VanDerWaalsContact CA-O 3.31Å; K6-L197 WeakPolarHBondContact CA-O 3.38Å; K6-L197 HydrophobicContact CB-CB 4.03Å; K6-L197 HydrophobicContact CG-CB 4.43Å
7	F	90.8	Very high	84	Confident	32 Å²	32	47.5 Å²	47.5	14%	0.14	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	125.6	-175.4	-58.1	-88.3	0	0	0	110.4	T5 R49 L197 N199 R200 P201	T5-F7 HydrophobicContact CG2-CE1 4.14Å; T5-F7 HydrophobicContact CG2-CE2 4.32Å; T5-F7 HydrophobicContact CG2-CZ 3.91Å; T5-F7 WeakPolarHBondContact O-CE2 3.19Å; F7-R49 CarbonylContact C-O 3.54Å; F7-R49 WeakPolarHBondContact CA-O 3.4Å; F7-R49 HydrophobicContact CD1-CB 3.83Å; F7-R49 HydrophobicContact CD1-CG 4.3Å; F7-R49 HydrophobicContact CE1-CB 4.22Å; F7-R49 HydrophobicContact CE1-CG 4.2Å; F7-L197 PolarHBondContact N-O 3.36Å; F7-L197 VanDerWaalsContact O-CA 3.26Å; F7-L197 WeakPolarHBondContact O-CA 3.29Å; F7-L197 WeakPolarHBondContact O-CD2 3.29Å; F7-N199 WeakPolarHBondContact CB-O 3.49Å; F7-R200 HydrophobicContact CD1-CG 4.4Å; F7-R200 HydrophobicContact CD2-CB 4.27Å; F7-R200 HydrophobicContact CD2-CG 4.35Å; F7-R200 HydrophobicContact CE1-CG 3.97Å; F7-R200 HydrophobicContact CE2-CB 4.11Å; F7-R200 HydrophobicContact CE2-CG 3.93Å; F7-R200 HydrophobicContact CZ-CB 4.42Å; F7-R200 HydrophobicContact CZ-CG 3.73Å; F7-P201 VanDerWaalsContact CB-CD 3.45Å; F7-P201 HydrophobicContact CB-CG 3.83Å; F7-P201 HydrophobicContact CD1-CG 3.88Å; F7-P201 HydrophobicContact CG-CG 4.16Å
8	L	93.3	Very high	84.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	118.1	-179.5	-173.6	146.8	0	0	0	109.2	L10 V48 R49 V50 S51 D91 A92 V113 L141 M145 L197	L8-L10 HydrophobicContact CD2-CB 3.78Å; L8-L10 HydrophobicContact CD2-CD1 4.47Å; L8-L10 PolarHBondContact O-N 3.48Å; L8-V48 HydrophobicContact CB-CG1 3.9Å; L8-R49 PolarHBondContact N-O 3.35Å; L8-V50 HydrophobicContact CB-CG2 4.47Å; L8-V50 HydrophobicContact CD2-CG1 3.93Å; L8-S51 PolarHBondContact O-N 3.21Å; L8-S51 PolarHBondContact O-OG 3.41Å; L8-D91 HydrophobicContact CG-CB 4.44Å; L8-A92 HydrophobicContact CD1-CB 4.44Å; L8-A92 HydrophobicContact CD2-CB 4.3Å; L8-V113 HydrophobicContact CD1-CG1 4.5Å; L8-V113 HydrophobicContact CD1-CG2 4.49Å; L8-L141 HydrophobicContact CD1-CD2 4.23Å; L8-L141 HydrophobicContact CD2-CD1 4.45Å; L8-L141 HydrophobicContact CD2-CD2 4.47Å; L8-M145 HydrophobicContact CD1-SD 4.24Å; L8-L197 HydrophobicContact CB-CD2 3.81Å; L8-L197 HydrophobicContact CD1-CD2 4.04Å; L8-L197 HydrophobicContact CG-CD2 4.03Å
9	K	92.2	Very high	85	Confident	40 Å²	40	43.4 Å²	43.4	17%	0.174	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	101.8	171.1	-73.2	168.1	-92	156.1	0	109.5	D91 A92	K9-D91 HydrophobicContact CB-CB 4.42Å; K9-D91 WeakPolarHBondContact CB-OD2 3.42Å; K9-D91 VanDerWaalsContact CE-OD2 3.32Å; K9-D91 WeakPolarHBondContact CE-OD2 3.42Å; K9-D91 PolarHBondContact N-OD2 3.07Å; K9-D91 IonicContact NZ-OD1 3.49Å; K9-D91 PolarHBondContact O-N 3.44Å; K9-A92 PolarHBondContact O-N 2.84Å
10	L	95.1	Very high	85.4	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	129.6	-177.3	179.3	63.2	0	0	0	110.9	L8 V37 L40 V50 S51 L52 S53 A92 L94 M137	L8-L10 HydrophobicContact CD2-CB 3.78Å; L8-L10 HydrophobicContact CD2-CD1 4.47Å; L8-L10 PolarHBondContact O-N 3.48Å; L10-V37 HydrophobicContact CD2-CG2 4.14Å; L10-L40 HydrophobicContact CD2-CD2 3.86Å; L10-V50 HydrophobicContact CB-CG1 4.02Å; L10-V50 HydrophobicContact CD2-CG1 4.09Å; L10-S51 PolarHBondContact N-O 2.77Å; L10-L52 WeakPolarHBondContact O-CA 3.37Å; L10-S53 PolarHBondContact O-N 2.95Å; L10-S53 PolarHBondContact O-OG 2.91Å; L10-A92 WeakPolarHBondContact CA-O 3.33Å; L10-A92 HydrophobicContact CD1-CB 4.44Å; L10-L94 HydrophobicContact CD1-CB 4.25Å; L10-L94 HydrophobicContact CD1-CD1 3.92Å; L10-L94 HydrophobicContact CD1-CG 3.76Å; L10-L94 HydrophobicContact CD2-CD1 4.26Å; L10-M137 HydrophobicContact CD2-CE 3.65Å
11	S	94.5	Very high	85.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.6	160.5	-66.5	0	0	0	0	110.8	Y54 H90 A92 A93 L94	S11-Y54 CarbonylContact C-O 3.55Å; S11-Y54 VanDerWaalsContact CA-O 3.32Å; S11-Y54 WeakPolarHBondContact CA-O 3.29Å; S11-H90 VanDerWaalsContact OG-CB 3.25Å; S11-H90 WeakPolarHBondContact OG-CB 3.43Å; S11-A92 PolarHBondContact N-O 2.81Å; S11-A93 CarbonylContact O-C 3.54Å; S11-A93 VanDerWaalsContact O-CA 3.27Å; S11-A93 WeakPolarHBondContact O-CA 3.07Å; S11-L94 PolarHBondContact O-N 3.39Å
12	L	96.2	Very high	88.5	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	122.4	-177.7	-169.8	61.6	0	0	0	111.1	M33 V37 L52 Y54 T55 E56 L94 L96 M137	L12-M33 HydrophobicContact CB-CE 3.96Å; L12-M33 HydrophobicContact CD2-CB 3.87Å; L12-M33 HydrophobicContact CD2-CE 3.79Å; L12-M33 HydrophobicContact CD2-CG 4.09Å; L12-M33 HydrophobicContact CG-CE 3.5Å; L12-M33 VanDerWaalsContact CG-CE 3.5Å; L12-M33 WeakPolarHBondContact O-CE 3.13Å; L12-V37 HydrophobicContact CD2-CG2 4.02Å; L12-L52 HydrophobicContact CB-CD1 3.81Å; L12-Y54 PolarHBondContact N-O 2.92Å; L12-T55 WeakPolarHBondContact O-CA 3.36Å; L12-T55 PolarHBondContact O-OG1 3.49Å; L12-E56 PolarHBondContact O-N 2.89Å; L12-E56 VanDerWaalsContact O-N 3.08Å; L12-L94 HydrophobicContact CD1-CB 3.77Å; L12-L96 HydrophobicContact CD1-CD1 4.26Å; L12-L96 HydrophobicContact CD1-CD2 4.33Å; L12-L96 HydrophobicContact CD1-CG 4.03Å; L12-L96 HydrophobicContact CD2-CD1 4.43Å; L12-L96 HydrophobicContact CG-CD1 4.5Å; L12-M137 HydrophobicContact CD1-CE 3.89Å; L12-M137 HydrophobicContact CD2-CE 4.03Å
13	F	95.3	Very high	90.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	147.6	-177.7	-66.3	-101.5	0	0	0	109.7	Y54 E56 F77 L81 V86 A93 L94 F95 L96	F13-Y54 HydrophobicContact CE1-CD1 4.35Å; F13-Y54 AromaticContact CE1-CE1 3.85Å; F13-Y54 HydrophobicContact CE1-CE1 3.85Å; F13-Y54 HydrophobicContact CE2-CD1 4.46Å; F13-Y54 AromaticContact CZ-CD1 3.9Å; F13-Y54 HydrophobicContact CZ-CD1 3.9Å; F13-Y54 AromaticContact CZ-CE1 3.82Å; F13-Y54 HydrophobicContact CZ-CE1 3.82Å; F13-E56 CarbonylContact C-O 3.24Å; F13-E56 WeakPolarHBondContact CA-O 3.45Å; F13-E56 HydrophobicContact CD1-CB 3.68Å; F13-E56 HydrophobicContact CD1-CG 4.43Å; F13-E56 HydrophobicContact CE1-CB 3.87Å; F13-E56 WeakPolarHBondContact CE1-OE2 3.38Å; F13-F77 HydrophobicContact CB-CE2 4.21Å; F13-F77 HydrophobicContact CB-CZ 4.31Å; F13-F77 HydrophobicContact CD1-CE2 4.36Å; F13-F77 AromaticContact CD2-CE2 3.82Å; F13-F77 HydrophobicContact CD2-CE2 3.82Å; F13-F77 AromaticContact CD2-CZ 3.6Å; F13-F77 HydrophobicContact CD2-CZ 3.6Å; F13-F77 HydrophobicContact CE2-CE2 4.23Å; F13-F77 HydrophobicContact CE2-CZ 4.1Å; F13-F77 AromaticContact CG-CE2 3.9Å; F13-F77 HydrophobicContact CG-CE2 3.9Å; F13-F77 HydrophobicContact CG-CZ 4.07Å; F13-L81 HydrophobicContact CE2-CD2 3.79Å; F13-L81 HydrophobicContact CZ-CD2 3.86Å; F13-V86 HydrophobicContact CZ-CG1 4.08Å; F13-A93 HydrophobicContact CE2-CB 4.31Å; F13-L94 PolarHBondContact N-O 3.08Å; F13-F95 HydrophobicContact CB-CB 4.48Å; F13-F95 HydrophobicContact CB-CD2 3.47Å; F13-F95 VanDerWaalsContact CB-CD2 3.47Å; F13-F95 HydrophobicContact CB-CE2 4.17Å; F13-F95 HydrophobicContact CB-CG 4.43Å; F13-F95 CarbonylContact O-C 3.59Å; F13-F95 WeakPolarHBondContact O-CA 3.2Å; F13-L96 PolarHBondContact O-N 2.82Å
14	M	95.5	Very high	92	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	132.1	175.7	-175.8	-178.6	-67.6	0	0	110.5	A18 A19 L22 T29 Y32 M33 E56 V57 W58 L96	M14-A18 HydrophobicContact CG-CB 3.58Å; M14-A18 HydrophobicContact SD-CB 4.15Å; M14-A19 HydrophobicContact SD-CB 4.14Å; M14-L22 HydrophobicContact CE-CD1 3.66Å; M14-L22 HydrophobicContact SD-CD1 3.84Å; M14-T29 HydrophobicContact CE-CG2 4.08Å; M14-T29 HydrophobicContact SD-CG2 3.56Å; M14-T29 VanDerWaalsContact SD-CG2 3.56Å; M14-Y32 HydrophobicContact CE-CD1 4.35Å; M14-Y32 HydrophobicContact CE-CE1 4.44Å; M14-M33 HydrophobicContact CB-CE 4.07Å; M14-M33 HydrophobicContact CB-SD 4.21Å; M14-M33 HydrophobicContact CE-CG 3.75Å; M14-M33 HydrophobicContact CE-SD 3.99Å; M14-E56 PolarHBondContact N-O 3.02Å; M14-V57 HydrophobicContact CB-CG1 4.44Å; M14-V57 HydrophobicContact CB-CG2 4.4Å; M14-V57 WeakPolarHBondContact O-CA 3.47Å; M14-W58 PolarHBondContact O-N 3.37Å; M14-L96 WeakPolarHBondContact CA-O 3.37Å; M14-L96 HydrophobicContact CB-CB 4.35Å; M14-L96 HydrophobicContact CE-CB 4.34Å; M14-L96 HydrophobicContact CE-CD1 3.63Å; M14-L96 HydrophobicContact CG-CB 4.23Å
15	D	93.7	Very high	93	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.			trans	-84.5	172.8	177.4	73.4	35.9	0	0	0	114.2	S17 A18 A19 W58 K66 F95 L96 S97	D15-S17 VanDerWaalsContact CG-OG 3.29Å; D15-S17 PolarHBondContact O-N 2.85Å; D15-S17 VanDerWaalsContact OD1-CA 3.3Å; D15-S17 WeakPolarHBondContact OD1-CA 3.39Å; D15-S17 WeakPolarHBondContact OD1-CB 3.28Å; D15-S17 PolarHBondContact OD1-N 3Å; D15-S17 PolarHBondContact OD1-OG 2.96Å; D15-S17 PolarHBondContact OD2-OG 3.37Å; D15-A18 PolarHBondContact O-N 2.54Å; D15-A18 PolarHBondContact OD1-N 3.27Å; D15-A19 WeakPolarHBondContact O-CB 3.14Å; D15-A19 PolarHBondContact O-N 3.3Å; D15-W58 HydrophobicContact CB-CE3 3.91Å; D15-W58 HydrophobicContact CB-CZ3 4.36Å; D15-K66 IonicContact OD1-NZ 3.72Å; D15-K66 WeakPolarHBondContact OD2-CE 3.31Å; D15-K66 IonicContact OD2-NZ 2.54Å; D15-K66 PolarHBondContact OD2-NZ 2.97Å; D15-F95 HydrophobicContact CB-CE1 4.49Å; D15-F95 HydrophobicContact CB-CE2 3.95Å; D15-F95 HydrophobicContact CB-CZ 3.59Å; D15-L96 PolarHBondContact N-O 2.86Å; D15-L96 VanDerWaalsContact N-O 3.1Å; D15-S97 VanDerWaalsContact OD2-CA 3.26Å; D15-S97 WeakPolarHBondContact OD2-CA 3.11Å; D15-S97 WeakPolarHBondContact OD2-CB 3.32Å; D15-S97 PolarHBondContact OD2-OG 3.3Å
16	Q	93.2	Very high	93.5	Very high	46 Å²	46	33.6 Å²	33.6	22%	0.215	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-34.4	-179.1	-166.7	-172.5	64.1	0	0	112.9	K20 W58 I59 A60 N62	Q16-K20 HydrophobicContact CG-CD 4.03Å; Q16-K20 HydrophobicContact CG-CG 4.42Å; Q16-K20 VanDerWaalsContact O-CB 3.26Å; Q16-K20 WeakPolarHBondContact O-CB 3.37Å; Q16-K20 WeakPolarHBondContact O-CG 3.3Å; Q16-K20 PolarHBondContact O-N 3.37Å; Q16-W58 WeakPolarHBondContact CA-O 3.49Å; Q16-W58 WeakPolarHBondContact CB-O 3.4Å; Q16-W58 PolarHBondContact N-O 3.3Å; Q16-I59 WeakPolarHBondContact CG-O 3.26Å; Q16-I59 PolarHBondContact NE2-O 3.16Å; Q16-A60 PolarHBondContact NE2-O 2.9Å; Q16-N62 VanDerWaalsContact CB-OD1 3.28Å; Q16-N62 WeakPolarHBondContact CB-OD1 3.31Å; Q16-N62 PolarHBondContact N-OD1 3.47Å
17	S	91.7	Very high	93.8	Very high	35 Å²	35	39.3 Å²	39.3	25%	0.245	21%	0.208	C	C	.	.	H	α-helix	trans	-71.8	-40.6	-177.5	66.1	0	0	0	0	112	D15 L21 K66 A98	D15-S17 VanDerWaalsContact CG-OG 3.29Å; D15-S17 PolarHBondContact O-N 2.85Å; D15-S17 VanDerWaalsContact OD1-CA 3.3Å; D15-S17 WeakPolarHBondContact OD1-CA 3.39Å; D15-S17 WeakPolarHBondContact OD1-CB 3.28Å; D15-S17 PolarHBondContact OD1-N 3Å; D15-S17 PolarHBondContact OD1-OG 2.96Å; D15-S17 PolarHBondContact OD2-OG 3.37Å; S17-L21 VanDerWaalsContact O-CB 3.31Å; S17-L21 WeakPolarHBondContact O-CB 3.44Å; S17-L21 PolarHBondContact O-N 3.2Å; S17-K66 WeakPolarHBondContact OG-CE 3.34Å; S17-K66 PolarHBondContact OG-NZ 3.34Å; S17-A98 PolarHBondContact OG-N 3.45Å
18	A	93.7	Very high	94.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.6	-43.7	172.9	0	0	0	0	0	111.4	M14 D15 K20 L21 L22 A98 M124	M14-A18 HydrophobicContact CG-CB 3.58Å; M14-A18 HydrophobicContact SD-CB 4.15Å; D15-A18 PolarHBondContact O-N 2.54Å; D15-A18 PolarHBondContact OD1-N 3.27Å; A18-K20 VanDerWaalsContact C-N 3.33Å; A18-K20 PolarHBondContact O-N 2.54Å; A18-L21 WeakPolarHBondContact O-CB 3.48Å; A18-L21 PolarHBondContact O-N 2.78Å; A18-L21 VanDerWaalsContact O-N 3.14Å; A18-L22 PolarHBondContact O-N 3.29Å; A18-A98 HydrophobicContact CB-CB 4.45Å; A18-M124 HydrophobicContact CB-SD 3.96Å
19	A	93.3	Very high	94.2	Very high	17 Å²	17	43 Å²	43	14%	0.14	23%	0.225	C	C	.	.	H	α-helix	trans	-59.9	-43.2	175.4	0	0	0	0	0	111.9	M14 D15 L22 N23 V57	M14-A19 HydrophobicContact SD-CB 4.14Å; D15-A19 WeakPolarHBondContact O-CB 3.14Å; D15-A19 PolarHBondContact O-N 3.3Å; A19-L22 PolarHBondContact O-N 2.79Å; A19-N23 PolarHBondContact O-N 3.33Å; A19-V57 HydrophobicContact CB-CG1 3.96Å
20	K	93	Very high	94.4	Very high	135 Å²	135	44 Å²	44	59%	0.587	23%	0.232	S	C	*	.	H	α-helix	trans	-64.5	-39.4	173.8	-77.3	172	177.1	170.5	0	112.4	Q16 A18 L22 N23	Q16-K20 HydrophobicContact CG-CD 4.03Å; Q16-K20 HydrophobicContact CG-CG 4.42Å; Q16-K20 VanDerWaalsContact O-CB 3.26Å; Q16-K20 WeakPolarHBondContact O-CB 3.37Å; Q16-K20 WeakPolarHBondContact O-CG 3.3Å; Q16-K20 PolarHBondContact O-N 3.37Å; A18-K20 VanDerWaalsContact C-N 3.33Å; A18-K20 PolarHBondContact O-N 2.54Å; K20-L22 VanDerWaalsContact C-N 3.35Å; K20-N23 PolarHBondContact O-N 2.93Å
21	L	93.5	Very high	94.4	Very high	60 Å²	60	46.1 Å²	46.1	31%	0.314	25%	0.25	S	C	.	.	H	α-helix	trans	-63.7	-38.3	178.5	-179.4	65.1	0	0	0	112.3	S17 A18 N23 A98 M124	S17-L21 VanDerWaalsContact O-CB 3.31Å; S17-L21 WeakPolarHBondContact O-CB 3.44Å; S17-L21 PolarHBondContact O-N 3.2Å; A18-L21 WeakPolarHBondContact O-CB 3.48Å; A18-L21 PolarHBondContact O-N 2.78Å; A18-L21 VanDerWaalsContact O-N 3.14Å; L21-N23 VanDerWaalsContact C-N 3.28Å; L21-N23 PolarHBondContact O-N 3.4Å; L21-A98 HydrophobicContact CB-CB 4.26Å; L21-A98 HydrophobicContact CD2-CB 3.82Å; L21-M124 HydrophobicContact CD2-CB 3.92Å; L21-M124 VanDerWaalsContact CD2-O 3.28Å; L21-M124 WeakPolarHBondContact CD2-O 3.3Å
22	L	93.3	Very high	94.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-66	-33.3	175.3	-71.4	180	0	0	0	112.4	M14 A18 A19 K20 L24 T29 Y32 M124 K127	M14-L22 HydrophobicContact CE-CD1 3.66Å; M14-L22 HydrophobicContact SD-CD1 3.84Å; A18-L22 PolarHBondContact O-N 3.29Å; A19-L22 PolarHBondContact O-N 2.79Å; K20-L22 VanDerWaalsContact C-N 3.35Å; L22-L24 HydrophobicContact CB-CB 4.48Å; L22-L24 HydrophobicContact CB-CD1 4.09Å; L22-L24 HydrophobicContact CB-CG 4.08Å; L22-T29 HydrophobicContact CD1-CG2 4.22Å; L22-Y32 HydrophobicContact CD1-CD1 3.71Å; L22-Y32 HydrophobicContact CD1-CE1 3.92Å; L22-Y32 HydrophobicContact CD1-CG 4.14Å; L22-Y32 HydrophobicContact CD2-CD1 4.48Å; L22-Y32 HydrophobicContact CD2-CD2 4.4Å; L22-Y32 HydrophobicContact CD2-CE1 4.13Å; L22-Y32 HydrophobicContact CD2-CE2 4.03Å; L22-M124 HydrophobicContact CD2-CE 3.96Å; L22-M124 HydrophobicContact CG-CE 4.4Å; L22-K127 HydrophobicContact CD2-CG 4.1Å; L22-K127 PolarHBondContact O-NZ 3.31Å
23	N	93.7	Very high	94.6	Very high	144 Å²	144	46.9 Å²	46.9	77%	0.77	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	53.1	-177.2	-169	40.6	0	0	0	112.2	A19 K20 L21	A19-N23 PolarHBondContact O-N 3.33Å; K20-N23 PolarHBondContact O-N 2.93Å; L21-N23 VanDerWaalsContact C-N 3.28Å; L21-N23 PolarHBondContact O-N 3.4Å
24	L	92.9	Very high	94.6	Very high	56 Å²	56	50.8 Å²	50.8	29%	0.293	27%	0.273	S	S	.	.			trans	-123.8	159.1	-175.9	-67	179.9	0	0	0	110.6	L22 Q28	L22-L24 HydrophobicContact CB-CB 4.48Å; L22-L24 HydrophobicContact CB-CD1 4.09Å; L22-L24 HydrophobicContact CB-CG 4.08Å; L24-Q28 HydrophobicContact CB-CB 3.76Å; L24-Q28 HydrophobicContact CD1-CB 4.24Å; L24-Q28 HydrophobicContact CD2-CB 4.26Å; L24-Q28 HydrophobicContact CG-CB 4.29Å
25	S	95.2	Very high	94.7	Very high	56 Å²	56	55.9 Å²	55.9	39%	0.392	30%	0.297	S	S	.	.			trans	-65	167.9	166.9	74.9	0	0	0	0	111	D27 Q28 T29	S25-D27 PolarHBondContact O-N 3.47Å; S25-Q28 PolarHBondContact O-N 2.86Å; S25-Q28 WeakPolarHBondContact OG-CG 3.42Å; S25-Q28 PolarHBondContact OG-N 2.97Å; S25-Q28 PolarHBondContact OG-OE1 3.33Å; S25-T29 WeakPolarHBondContact O-CB 3.35Å; S25-T29 PolarHBondContact O-N 3.19Å; S25-T29 PolarHBondContact O-OG1 3.46Å
26	L	94.4	Very high	94.8	Very high	80 Å²	80	55.9 Å²	55.9	42%	0.419	30%	0.297	S	S	.	.	H	α-helix	trans	-57.9	-47.8	176.2	177.9	54.9	0	0	0	111.5	Q28 T29 L30 V57 I59	L26-Q28 VanDerWaalsContact C-N 3.31Å; L26-Q28 PolarHBondContact O-N 3.46Å; L26-T29 WeakPolarHBondContact O-CB 3.36Å; L26-T29 PolarHBondContact O-N 3.01Å; L26-T29 VanDerWaalsContact O-N 3.15Å; L26-L30 HydrophobicContact CD1-CD1 4.15Å; L26-L30 HydrophobicContact CD1-CG 4.11Å; L26-L30 HydrophobicContact CG-CD1 4.16Å; L26-L30 WeakPolarHBondContact O-CG 3.48Å; L26-L30 PolarHBondContact O-N 3.41Å; L26-V57 HydrophobicContact CD1-CB 4.18Å; L26-V57 HydrophobicContact CD1-CG2 4.34Å; L26-I59 HydrophobicContact CB-CD1 4.2Å; L26-I59 HydrophobicContact CD1-CD1 3.8Å; L26-I59 HydrophobicContact CD2-CD1 3.91Å; L26-I59 HydrophobicContact CG-CD1 4.17Å
27	D	95	Very high	95	Very high	124 Å²	124	53.8 Å²	53.8	66%	0.663	29%	0.287	S	S	*	.	H	α-helix	trans	-61.3	-40.2	179.4	-61.7	-25.4	0	0	0	112.1	S25 L30 A31	S25-D27 PolarHBondContact O-N 3.47Å; D27-L30 PolarHBondContact O-N 2.86Å; D27-A31 WeakPolarHBondContact O-CB 3.43Å; D27-A31 PolarHBondContact O-N 2.91Å
28	Q	96.3	Very high	95.1	Very high	104 Å²	104	56.4 Å²	56.4	49%	0.486	30%	0.299	S	S	.	.	H	α-helix	trans	-69.2	-36.6	176.6	-73.2	175.1	-32.8	0	0	112.2	L24 S25 L26 A31 Y32	L24-Q28 HydrophobicContact CB-CB 3.76Å; L24-Q28 HydrophobicContact CD1-CB 4.24Å; L24-Q28 HydrophobicContact CD2-CB 4.26Å; L24-Q28 HydrophobicContact CG-CB 4.29Å; S25-Q28 PolarHBondContact O-N 2.86Å; S25-Q28 WeakPolarHBondContact OG-CG 3.42Å; S25-Q28 PolarHBondContact OG-N 2.97Å; S25-Q28 PolarHBondContact OG-OE1 3.33Å; L26-Q28 VanDerWaalsContact C-N 3.31Å; L26-Q28 PolarHBondContact O-N 3.46Å; Q28-A31 PolarHBondContact O-N 3.01Å; Q28-Y32 WeakPolarHBondContact O-CB 3.26Å; Q28-Y32 PolarHBondContact O-N 3.04Å
29	T	96.2	Very high	95.2	Very high	4 Å²	4	57.2 Å²	57.2	3%	0.025	31%	0.305	C	S	.	.	H	α-helix	trans	-65.3	-42.7	174.3	-58	0	0	0	0	110.9	M14 L22 S25 L26 Y32 M33 V57	M14-T29 HydrophobicContact CE-CG2 4.08Å; M14-T29 HydrophobicContact SD-CG2 3.56Å; M14-T29 VanDerWaalsContact SD-CG2 3.56Å; L22-T29 HydrophobicContact CD1-CG2 4.22Å; S25-T29 WeakPolarHBondContact O-CB 3.35Å; S25-T29 PolarHBondContact O-N 3.19Å; S25-T29 PolarHBondContact O-OG1 3.46Å; L26-T29 WeakPolarHBondContact O-CB 3.36Å; L26-T29 PolarHBondContact O-N 3.01Å; L26-T29 VanDerWaalsContact O-N 3.15Å; T29-Y32 WeakPolarHBondContact O-CB 3.31Å; T29-Y32 PolarHBondContact O-N 3.31Å; T29-M33 HydrophobicContact CG2-SD 4.31Å; T29-M33 WeakPolarHBondContact O-CG 3.31Å; T29-M33 PolarHBondContact O-N 3.32Å; T29-V57 HydrophobicContact CG2-CG1 4.16Å; T29-V57 HydrophobicContact CG2-CG2 4.04Å
30	L	96.1	Very high	95.3	Very high	61 Å²	61	56.4 Å²	56.4	32%	0.319	30%	0.299	S	S	.	.	H	α-helix	trans	-65.5	-41.1	175.9	-68.5	173.2	0	0	0	112	L26 D27 M33 L34 T55 V57	L26-L30 HydrophobicContact CD1-CD1 4.15Å; L26-L30 HydrophobicContact CD1-CG 4.11Å; L26-L30 HydrophobicContact CG-CD1 4.16Å; L26-L30 WeakPolarHBondContact O-CG 3.48Å; L26-L30 PolarHBondContact O-N 3.41Å; D27-L30 PolarHBondContact O-N 2.86Å; L30-M33 PolarHBondContact O-N 3.34Å; L30-L34 PolarHBondContact O-N 3.4Å; L30-T55 HydrophobicContact CD2-CG2 3.71Å; L30-V57 HydrophobicContact CD2-CG2 4.03Å
31	A	96.6	Very high	95.3	Very high	45 Å²	45	51.2 Å²	51.2	37%	0.372	28%	0.278	S	S	.	.	H	α-helix	trans	-61.4	-44.9	173.6	0	0	0	0	0	111.6	D27 Q28 M33 L34 E35	D27-A31 WeakPolarHBondContact O-CB 3.43Å; D27-A31 PolarHBondContact O-N 2.91Å; Q28-A31 PolarHBondContact O-N 3.01Å; A31-M33 VanDerWaalsContact C-N 3.34Å; A31-M33 PolarHBondContact O-N 3.42Å; A31-L34 PolarHBondContact O-N 2.91Å; A31-E35 WeakPolarHBondContact O-CG 3.4Å; A31-E35 PolarHBondContact O-N 3.04Å
32	Y	97	Very high	95.2	Very high	15 Å²	15	54.4 Å²	54.4	6%	0.059	29%	0.294	C	S	.	.	H	α-helix	trans	-56.4	-47.2	174	172.9	-88	0	0	0	111.8	M14 L22 Q28 T29 L34 E35 C36 M124 I128 P130	M14-Y32 HydrophobicContact CE-CD1 4.35Å; M14-Y32 HydrophobicContact CE-CE1 4.44Å; L22-Y32 HydrophobicContact CD1-CD1 3.71Å; L22-Y32 HydrophobicContact CD1-CE1 3.92Å; L22-Y32 HydrophobicContact CD1-CG 4.14Å; L22-Y32 HydrophobicContact CD2-CD1 4.48Å; L22-Y32 HydrophobicContact CD2-CD2 4.4Å; L22-Y32 HydrophobicContact CD2-CE1 4.13Å; L22-Y32 HydrophobicContact CD2-CE2 4.03Å; Q28-Y32 WeakPolarHBondContact O-CB 3.26Å; Q28-Y32 PolarHBondContact O-N 3.04Å; T29-Y32 WeakPolarHBondContact O-CB 3.31Å; T29-Y32 PolarHBondContact O-N 3.31Å; Y32-L34 PolarHBondContact O-N 3.41Å; Y32-E35 PolarHBondContact O-N 3.22Å; Y32-C36 VanDerWaalsContact CE1-SG 3.54Å; Y32-C36 PolarHBondContact O-N 3.02Å; Y32-C36 PolarHBondContact O-SG 3.38Å; Y32-M124 HydrophobicContact CE1-CE 4.36Å; Y32-I128 WeakPolarHBondContact CE2-O 3.37Å; Y32-I128 WeakPolarHBondContact OH-CG1 3.46Å; Y32-I128 PolarHBondContact OH-O 2.77Å; Y32-P130 HydrophobicContact CD2-CG 3.79Å; Y32-P130 HydrophobicContact CE2-CG 3.78Å
33	M	97	Very high	94.9	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-61.4	-42.2	177.7	-74	173	85	0	0	111.9	L12 M14 T29 L30 A31 C36 V37 T55 V57	L12-M33 HydrophobicContact CB-CE 3.96Å; L12-M33 HydrophobicContact CD2-CB 3.87Å; L12-M33 HydrophobicContact CD2-CE 3.79Å; L12-M33 HydrophobicContact CD2-CG 4.09Å; L12-M33 HydrophobicContact CG-CE 3.5Å; L12-M33 VanDerWaalsContact CG-CE 3.5Å; L12-M33 WeakPolarHBondContact O-CE 3.13Å; M14-M33 HydrophobicContact CB-CE 4.07Å; M14-M33 HydrophobicContact CB-SD 4.21Å; M14-M33 HydrophobicContact CE-CG 3.75Å; M14-M33 HydrophobicContact CE-SD 3.99Å; T29-M33 HydrophobicContact CG2-SD 4.31Å; T29-M33 WeakPolarHBondContact O-CG 3.31Å; T29-M33 PolarHBondContact O-N 3.32Å; L30-M33 PolarHBondContact O-N 3.34Å; A31-M33 VanDerWaalsContact C-N 3.34Å; A31-M33 PolarHBondContact O-N 3.42Å; M33-C36 WeakPolarHBondContact O-CB 3.35Å; M33-C36 PolarHBondContact O-N 3.42Å; M33-V37 WeakPolarHBondContact O-CG2 3.09Å; M33-V37 PolarHBondContact O-N 3.29Å; M33-V37 VanDerWaalsContact O-N 3.14Å; M33-T55 WeakPolarHBondContact CE-OG1 3.44Å; M33-V57 HydrophobicContact CE-CG2 4.42Å; M33-V57 HydrophobicContact SD-CG2 3.59Å; M33-V57 VanDerWaalsContact SD-CG2 3.59Å
34	L	96.3	Very high	94.2	Very high	82 Å²	82	48.3 Å²	48.3	43%	0.429	26%	0.262	S	S	.	.	H	α-helix	trans	-65.1	-40.8	176.2	-177.9	61.2	0	0	0	112.1	L30 A31 Y32 C36 V37 N38 L52	L30-L34 PolarHBondContact O-N 3.4Å; A31-L34 PolarHBondContact O-N 2.91Å; Y32-L34 PolarHBondContact O-N 3.41Å; L34-C36 VanDerWaalsContact C-N 3.32Å; L34-C36 PolarHBondContact O-N 3.21Å; L34-V37 PolarHBondContact O-N 3.5Å; L34-N38 VanDerWaalsContact O-CG 3.28Å; L34-N38 PolarHBondContact O-N 3.04Å; L34-N38 PolarHBondContact O-ND2 3.44Å; L34-L52 HydrophobicContact CD1-CD2 4.23Å
35	E	96.8	Very high	93.7	Very high	107 Å²	107	50.2 Å²	50.2	50%	0.5	27%	0.269	S	S	.	.	H	α-helix	trans	-61.1	-40	174.1	-75	177.7	-155.4	0	0	112	A31 Y32 V37 N38 A39 P130	A31-E35 WeakPolarHBondContact O-CG 3.4Å; A31-E35 PolarHBondContact O-N 3.04Å; Y32-E35 PolarHBondContact O-N 3.22Å; E35-V37 VanDerWaalsContact C-N 3.33Å; E35-V37 PolarHBondContact O-N 2.92Å; E35-N38 PolarHBondContact O-N 3.33Å; E35-A39 WeakPolarHBondContact O-CB 3.3Å; E35-A39 PolarHBondContact O-N 3.15Å; E35-P130 HydrophobicContact CB-CB 3.85Å; E35-P130 HydrophobicContact CB-CG 4.15Å; E35-P130 WeakPolarHBondContact OE2-CG 3.49Å
36	C	96.6	Very high	93.3	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-44	174.3	-62.5	0	0	0	0	111.4	Y32 M33 L34 A39 L40 P130 C133 S134 M137	Y32-C36 VanDerWaalsContact CE1-SG 3.54Å; Y32-C36 PolarHBondContact O-N 3.02Å; Y32-C36 PolarHBondContact O-SG 3.38Å; M33-C36 WeakPolarHBondContact O-CB 3.35Å; M33-C36 PolarHBondContact O-N 3.42Å; L34-C36 VanDerWaalsContact C-N 3.32Å; L34-C36 PolarHBondContact O-N 3.21Å; C36-A39 PolarHBondContact O-N 3.18Å; C36-L40 VanDerWaalsContact O-CB 3.28Å; C36-L40 WeakPolarHBondContact O-CB 3.48Å; C36-L40 PolarHBondContact O-N 3.03Å; C36-P130 VanDerWaalsContact SG-CA 3.59Å; C36-C133 HydrophobicContact CB-CB 4.3Å; C36-C133 VanDerWaalsContact SG-CB 3.57Å; C36-S134 VanDerWaalsContact O-CB 3.3Å; C36-S134 WeakPolarHBondContact O-CB 3.31Å; C36-M137 HydrophobicContact CB-SD 3.81Å
37	V	96.5	Very high	93	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-69.9	-39.6	179.3	179.8	0	0	0	0	111.9	L10 L12 M33 L34 E35 A39 L40 D41 V50 L52 M137	L10-V37 HydrophobicContact CD2-CG2 4.14Å; L12-V37 HydrophobicContact CD2-CG2 4.02Å; M33-V37 WeakPolarHBondContact O-CG2 3.09Å; M33-V37 PolarHBondContact O-N 3.29Å; M33-V37 VanDerWaalsContact O-N 3.14Å; L34-V37 PolarHBondContact O-N 3.5Å; E35-V37 VanDerWaalsContact C-N 3.33Å; E35-V37 PolarHBondContact O-N 2.92Å; V37-A39 VanDerWaalsContact C-N 3.34Å; V37-A39 PolarHBondContact O-N 2.95Å; V37-L40 WeakPolarHBondContact O-CB 3.46Å; V37-L40 PolarHBondContact O-N 3.34Å; V37-D41 PolarHBondContact O-N 3.2Å; V37-V50 HydrophobicContact CG1-CG1 4.27Å; V37-L52 HydrophobicContact CG1-CB 4.11Å; V37-L52 HydrophobicContact CG2-CB 4.37Å; V37-L52 HydrophobicContact CG2-CD1 4.19Å; V37-M137 HydrophobicContact CG2-CE 4Å
38	N	94.8	Very high	92.8	Very high	90 Å²	90	42.1 Å²	42.1	48%	0.481	22%	0.222	S	C	.	.	H	α-helix	trans	-62.9	-43.1	175.5	-71.5	-22.6	0	0	0	111.2	L34 E35 L40 D41 L42	L34-N38 VanDerWaalsContact O-CG 3.28Å; L34-N38 PolarHBondContact O-N 3.04Å; L34-N38 PolarHBondContact O-ND2 3.44Å; E35-N38 PolarHBondContact O-N 3.33Å; N38-L40 VanDerWaalsContact C-N 3.31Å; N38-D41 PolarHBondContact O-N 3.16Å; N38-L42 WeakPolarHBondContact O-CG 3.44Å; N38-L42 PolarHBondContact O-N 2.83Å
39	A	94.1	Very high	92.6	Very high	17 Å²	17	43.4 Å²	43.4	14%	0.14	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-36.7	173.7	0	0	0	0	0	111.7	E35 C36 V37 L42 V43 S134	E35-A39 WeakPolarHBondContact O-CB 3.3Å; E35-A39 PolarHBondContact O-N 3.15Å; C36-A39 PolarHBondContact O-N 3.18Å; V37-A39 VanDerWaalsContact C-N 3.34Å; V37-A39 PolarHBondContact O-N 2.95Å; A39-L42 WeakPolarHBondContact O-CB 3.47Å; A39-L42 PolarHBondContact O-N 3.23Å; A39-L42 VanDerWaalsContact O-N 3.15Å; A39-V43 PolarHBondContact O-N 2.86Å; A39-S134 WeakPolarHBondContact CB-OG 3.37Å
40	L	95.2	Very high	92.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-46.6	176.6	171.5	63.2	0	0	0	111.9	L10 C36 V37 N38 L42 V43 T44 V50 M137 A138 L141	L10-L40 HydrophobicContact CD2-CD2 3.86Å; C36-L40 VanDerWaalsContact O-CB 3.28Å; C36-L40 WeakPolarHBondContact O-CB 3.48Å; C36-L40 PolarHBondContact O-N 3.03Å; V37-L40 WeakPolarHBondContact O-CB 3.46Å; V37-L40 PolarHBondContact O-N 3.34Å; N38-L40 VanDerWaalsContact C-N 3.31Å; L40-L42 PolarHBondContact O-N 2.83Å; L40-V43 HydrophobicContact CD1-CG2 4.3Å; L40-V43 WeakPolarHBondContact O-CG2 3.33Å; L40-V43 PolarHBondContact O-N 2.91Å; L40-T44 VanDerWaalsContact CD1-OG1 3.3Å; L40-T44 WeakPolarHBondContact CD1-OG1 3.37Å; L40-T44 VanDerWaalsContact O-CB 3.24Å; L40-T44 WeakPolarHBondContact O-CB 3.43Å; L40-T44 PolarHBondContact O-N 2.94Å; L40-T44 PolarHBondContact O-OG1 3.06Å; L40-V50 HydrophobicContact CD2-CB 4.4Å; L40-V50 HydrophobicContact CD2-CG1 3.78Å; L40-V50 HydrophobicContact CD2-CG2 4.45Å; L40-V50 HydrophobicContact CG-CB 4.4Å; L40-V50 HydrophobicContact CG-CG1 4.3Å; L40-V50 HydrophobicContact CG-CG2 4.27Å; L40-M137 HydrophobicContact CD1-CB 4.02Å; L40-M137 HydrophobicContact CD2-CB 3.96Å; L40-M137 HydrophobicContact CD2-CE 3.78Å; L40-M137 HydrophobicContact CD2-SD 4.47Å; L40-M137 HydrophobicContact CG-CB 4.49Å; L40-A138 HydrophobicContact CD1-CB 3.66Å; L40-L141 HydrophobicContact CD1-CD1 4.25Å; L40-L141 HydrophobicContact CD2-CD1 3.72Å; L40-L141 HydrophobicContact CG-CD1 4.47Å
41	D	94.2	Very high	92.3	Very high	27 Å²	27	42.3 Å²	42.3	14%	0.144	22%	0.22	C	C	.	.	H	α-helix	trans	-60	-33	176.7	-177.9	62.9	0	0	0	111.8	V37 N38 R49 V50	V37-D41 PolarHBondContact O-N 3.2Å; N38-D41 PolarHBondContact O-N 3.16Å; D41-R49 VanDerWaalsContact OD1-CA 3.23Å; D41-R49 WeakPolarHBondContact OD1-CA 3.44Å; D41-R49 IonicContact OD1-CZ 3.14Å; D41-R49 IonicContact OD1-NE 3.39Å; D41-R49 PolarHBondContact OD1-NE 3.15Å; D41-R49 IonicContact OD1-NH2 3.7Å; D41-R49 IonicContact OD2-CZ 2.8Å; D41-R49 IonicContact OD2-NE 3.42Å; D41-R49 PolarHBondContact OD2-NE 3.37Å; D41-R49 IonicContact OD2-NH2 3.77Å; D41-R49 PolarHBondContact OD2-NH2 2.74Å; D41-V50 HydrophobicContact CB-CB 4.36Å; D41-V50 PolarHBondContact OD1-N 2.92Å
42	L	90.9	Very high	92.1	Very high	126 Å²	126	42.7 Å²	42.7	66%	0.66	22%	0.215	S	C	*	.	H	α-helix	trans	-74.9	-38.5	176.7	-65.9	172.8	0	0	0	113.7	N38 A39 L40 Q45	N38-L42 WeakPolarHBondContact O-CG 3.44Å; N38-L42 PolarHBondContact O-N 2.83Å; A39-L42 WeakPolarHBondContact O-CB 3.47Å; A39-L42 PolarHBondContact O-N 3.23Å; A39-L42 VanDerWaalsContact O-N 3.15Å; L40-L42 PolarHBondContact O-N 2.83Å; L42-Q45 WeakPolarHBondContact O-CG 3.37Å; L42-Q45 PolarHBondContact O-NE2 3.1Å
43	V	86.5	Confident	91.7	Very high	11 Å²	11	44.4 Å²	44.4	7%	0.067	23%	0.229	C	C	.	.	H	α-helix	trans	-80.5	-23.6	179.2	-59.8	0	0	0	0	112.5	A39 L40 Q45 Y131 A138 I163	A39-V43 PolarHBondContact O-N 2.86Å; L40-V43 HydrophobicContact CD1-CG2 4.3Å; L40-V43 WeakPolarHBondContact O-CG2 3.33Å; L40-V43 PolarHBondContact O-N 2.91Å; V43-Q45 PolarHBondContact O-N 2.89Å; V43-Y131 HydrophobicContact CG1-CE2 3.87Å; V43-A138 HydrophobicContact CG2-CB 3.91Å; V43-I163 HydrophobicContact CB-CD1 4.48Å
44	T	79.9	Confident	91.5	Very high	6 Å²	6	48 Å²	48	4%	0.037	24%	0.244	C	C	.	.			trans	-76.5	69.5	178.4	-52.8	0	0	0	0	110.5	L40 I46 V48 V50 F177	L40-T44 VanDerWaalsContact CD1-OG1 3.3Å; L40-T44 WeakPolarHBondContact CD1-OG1 3.37Å; L40-T44 VanDerWaalsContact O-CB 3.24Å; L40-T44 WeakPolarHBondContact O-CB 3.43Å; L40-T44 PolarHBondContact O-N 2.94Å; L40-T44 PolarHBondContact O-OG1 3.06Å; T44-I46 VanDerWaalsContact C-N 3.27Å; T44-I46 HydrophobicContact CG2-CD1 4.01Å; T44-I46 HydrophobicContact CG2-CG1 3.75Å; T44-I46 PolarHBondContact O-N 2.79Å; T44-V48 HydrophobicContact CG2-CB 4.24Å; T44-V50 HydrophobicContact CG2-CG2 4.34Å; T44-F177 HydrophobicContact CG2-CE2 4.43Å
45	Q	82.4	Confident	91.3	Very high	96 Å²	96	46.3 Å²	46.3	45%	0.449	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	53.6	-173.6	-62.2	-175.9	-14	0	0	113.1	L42 V43 Q176	L42-Q45 WeakPolarHBondContact O-CG 3.37Å; L42-Q45 PolarHBondContact O-NE2 3.1Å; V43-Q45 PolarHBondContact O-N 2.89Å; Q45-Q176 VanDerWaalsContact OE1-NE2 3.11Å
46	I	86.8	Confident	91.1	Very high	11 Å²	11	42.7 Å²	42.7	6%	0.056	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.2	29.4	-173.6	61.6	172.1	0	0	0	113.5	T44 V48 M145 M147 F177 K182 F185	T44-I46 VanDerWaalsContact C-N 3.27Å; T44-I46 HydrophobicContact CG2-CD1 4.01Å; T44-I46 HydrophobicContact CG2-CG1 3.75Å; T44-I46 PolarHBondContact O-N 2.79Å; I46-V48 HydrophobicContact CD1-CG2 4.05Å; I46-V48 HydrophobicContact CG1-CB 4.09Å; I46-V48 HydrophobicContact CG1-CG2 3.88Å; I46-V48 PolarHBondContact O-N 2.96Å; I46-M145 HydrophobicContact CD1-CE 3.67Å; I46-M145 HydrophobicContact CD1-SD 4.31Å; I46-M147 HydrophobicContact CD1-CE 3.49Å; I46-M147 VanDerWaalsContact CD1-CE 3.49Å; I46-M147 HydrophobicContact CG2-CE 4.33Å; I46-F177 HydrophobicContact CD1-CE2 4.38Å; I46-F177 HydrophobicContact CG2-CB 4.1Å; I46-F177 HydrophobicContact CG2-CD2 3.63Å; I46-F177 HydrophobicContact CG2-CE2 4.37Å; I46-F177 HydrophobicContact CG2-CG 4.1Å; I46-K182 HydrophobicContact CG2-CG 3.95Å; I46-F185 HydrophobicContact CB-CD1 4.43Å; I46-F185 HydrophobicContact CB-CE1 4.48Å; I46-F185 HydrophobicContact CD1-CD1 4.24Å; I46-F185 HydrophobicContact CD1-CD2 4.48Å; I46-F185 HydrophobicContact CD1-CE1 4.26Å; I46-F185 HydrophobicContact CD1-CG 4.34Å; I46-F185 HydrophobicContact CD1-CZ 4.4Å; I46-F185 HydrophobicContact CG1-CE1 4.49Å
47	N	87.7	Confident	91	Very high	77 Å²	77	43.8 Å²	43.8	41%	0.412	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	29.6	-172.7	-68.9	-2.5	0	0	0	113.7	M3 K6	M3-N47 PolarHBondContact O-ND2 3.44Å; K6-N47 WeakPolarHBondContact CD-O 3.22Å; K6-N47 PolarHBondContact N-O 2.91Å
48	V	91.3	Very high	90.9	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.6	170.5	178.4	0	0	0	0	107.6	K6 L8 T44 I46 V50 M145 F185	K6-V48 HydrophobicContact CB-CG2 4.02Å; K6-V48 HydrophobicContact CD-CG2 4.5Å; K6-V48 CarbonylContact O-C 3.47Å; K6-V48 WeakPolarHBondContact O-CA 3.26Å; L8-V48 HydrophobicContact CB-CG1 3.9Å; T44-V48 HydrophobicContact CG2-CB 4.24Å; I46-V48 HydrophobicContact CD1-CG2 4.05Å; I46-V48 HydrophobicContact CG1-CB 4.09Å; I46-V48 HydrophobicContact CG1-CG2 3.88Å; I46-V48 PolarHBondContact O-N 2.96Å; V48-V50 HydrophobicContact CG1-CG2 4.46Å; V48-M145 HydrophobicContact CG2-SD 4.47Å; V48-F185 HydrophobicContact CG2-CE1 4.01Å; V48-F185 HydrophobicContact CG2-CE2 4.18Å; V48-F185 HydrophobicContact CG2-CZ 3.41Å; V48-F185 VanDerWaalsContact CG2-CZ 3.41Å
49	R	92.4	Very high	90.6	Very high	132 Å²	132	44.4 Å²	44.4	50%	0.498	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.3	170.6	-61	-55.7	-57.5	-121.8	-8.2	109.3	T5 K6 F7 L8 D41	T5-R49 HydrophobicContact CG2-CG 3.62Å; K6-R49 PolarHBondContact O-N 3.14Å; F7-R49 CarbonylContact C-O 3.54Å; F7-R49 WeakPolarHBondContact CA-O 3.4Å; F7-R49 HydrophobicContact CD1-CB 3.83Å; F7-R49 HydrophobicContact CD1-CG 4.3Å; F7-R49 HydrophobicContact CE1-CB 4.22Å; F7-R49 HydrophobicContact CE1-CG 4.2Å; L8-R49 PolarHBondContact N-O 3.35Å; D41-R49 VanDerWaalsContact OD1-CA 3.23Å; D41-R49 WeakPolarHBondContact OD1-CA 3.44Å; D41-R49 IonicContact OD1-CZ 3.14Å; D41-R49 IonicContact OD1-NE 3.39Å; D41-R49 PolarHBondContact OD1-NE 3.15Å; D41-R49 IonicContact OD1-NH2 3.7Å; D41-R49 IonicContact OD2-CZ 2.8Å; D41-R49 IonicContact OD2-NE 3.42Å; D41-R49 PolarHBondContact OD2-NE 3.37Å; D41-R49 IonicContact OD2-NH2 3.77Å; D41-R49 PolarHBondContact OD2-NH2 2.74Å
50	V	93.7	Very high	90.4	Very high	11 Å²	11	47.9 Å²	47.9	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.3	179.8	-174.9	0	0	0	0	109.2	L8 L10 V37 L40 D41 T44 V48	L8-V50 HydrophobicContact CB-CG2 4.47Å; L8-V50 HydrophobicContact CD2-CG1 3.93Å; L10-V50 HydrophobicContact CB-CG1 4.02Å; L10-V50 HydrophobicContact CD2-CG1 4.09Å; V37-V50 HydrophobicContact CG1-CG1 4.27Å; L40-V50 HydrophobicContact CD2-CB 4.4Å; L40-V50 HydrophobicContact CD2-CG1 3.78Å; L40-V50 HydrophobicContact CD2-CG2 4.45Å; L40-V50 HydrophobicContact CG-CB 4.4Å; L40-V50 HydrophobicContact CG-CG1 4.3Å; L40-V50 HydrophobicContact CG-CG2 4.27Å; D41-V50 HydrophobicContact CB-CB 4.36Å; D41-V50 PolarHBondContact OD1-N 2.92Å; T44-V50 HydrophobicContact CG2-CG2 4.34Å; V48-V50 HydrophobicContact CG1-CG2 4.46Å
51	S	91.2	Very high	90.1	Very high	31 Å²	31	55.4 Å²	55.4	22%	0.217	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	138.1	177.7	60.2	0	0	0	0	110.1	L8 L10 S53 P201	L8-S51 PolarHBondContact O-N 3.21Å; L8-S51 PolarHBondContact O-OG 3.41Å; L10-S51 PolarHBondContact N-O 2.77Å; S51-S53 PolarHBondContact O-N 3.48Å; S51-P201 WeakPolarHBondContact OG-CG 3.33Å
52	L	92.7	Very high	90	Very high	52 Å²	52	56 Å²	56	27%	0.272	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	113	173	-176	63.8	0	0	0	108.7	L10 L12 L34 V37 Y54 T55	L10-L52 WeakPolarHBondContact O-CA 3.37Å; L12-L52 HydrophobicContact CB-CD1 3.81Å; L34-L52 HydrophobicContact CD1-CD2 4.23Å; V37-L52 HydrophobicContact CG1-CB 4.11Å; V37-L52 HydrophobicContact CG2-CB 4.37Å; V37-L52 HydrophobicContact CG2-CD1 4.19Å; L52-Y54 WeakPolarHBondContact CD1-O 3.5Å; L52-T55 HydrophobicContact CD2-CG2 4.44Å
53	S	89.2	Confident	90	Very high	51 Å²	51	54.5 Å²	54.5	36%	0.357	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-31.1	175.1	63.6	0	0	0	0	112.5	L10 S51	L10-S53 PolarHBondContact O-N 2.95Å; L10-S53 PolarHBondContact O-OG 2.91Å; S51-S53 PolarHBondContact O-N 3.48Å
54	Y	91.9	Very high	90.1	Very high	78 Å²	78	54.7 Å²	54.7	31%	0.306	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	149.7	-178	-178.9	-101.6	0	0	0	111.7	S11 L12 F13 L52 E56 V88	S11-Y54 CarbonylContact C-O 3.55Å; S11-Y54 VanDerWaalsContact CA-O 3.32Å; S11-Y54 WeakPolarHBondContact CA-O 3.29Å; L12-Y54 PolarHBondContact N-O 2.92Å; F13-Y54 HydrophobicContact CE1-CD1 4.35Å; F13-Y54 AromaticContact CE1-CE1 3.85Å; F13-Y54 HydrophobicContact CE1-CE1 3.85Å; F13-Y54 HydrophobicContact CE2-CD1 4.46Å; F13-Y54 AromaticContact CZ-CD1 3.9Å; F13-Y54 HydrophobicContact CZ-CD1 3.9Å; F13-Y54 AromaticContact CZ-CE1 3.82Å; F13-Y54 HydrophobicContact CZ-CE1 3.82Å; L52-Y54 WeakPolarHBondContact CD1-O 3.5Å; Y54-E56 HydrophobicContact CE1-CB 3.8Å; Y54-E56 PolarHBondContact OH-OE2 3.34Å; Y54-V88 VanDerWaalsContact CB-CG1 3.41Å; Y54-V88 HydrophobicContact CD1-CG1 4.35Å; Y54-V88 HydrophobicContact CD1-CG2 4.09Å; Y54-V88 HydrophobicContact CD2-CG1 4.19Å; Y54-V88 HydrophobicContact CD2-CG2 3.59Å; Y54-V88 HydrophobicContact CE1-CG2 4.26Å; Y54-V88 HydrophobicContact CE2-CG2 3.79Å; Y54-V88 HydrophobicContact CG-CB 4.29Å; Y54-V88 HydrophobicContact CG-CG1 3.76Å; Y54-V88 HydrophobicContact CG-CG2 3.75Å
55	T	92.9	Very high	90.4	Very high	45 Å²	45	62.2 Å²	62.2	28%	0.276	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	141.2	176.6	-173.5	0	0	0	0	111.2	L12 L30 M33 L52	L12-T55 WeakPolarHBondContact O-CA 3.36Å; L12-T55 PolarHBondContact O-OG1 3.49Å; L30-T55 HydrophobicContact CD2-CG2 3.71Å; M33-T55 WeakPolarHBondContact CE-OG1 3.44Å; L52-T55 HydrophobicContact CD2-CG2 4.44Å
56	E	92.6	Very high	90.4	Very high	32 Å²	32	60.9 Å²	60.9	15%	0.15	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	133.3	177.5	-170.9	-178.9	148.6	0	0	110.6	L12 F13 M14 Y54 W58 R63	L12-E56 PolarHBondContact O-N 2.89Å; L12-E56 VanDerWaalsContact O-N 3.08Å; F13-E56 CarbonylContact C-O 3.24Å; F13-E56 WeakPolarHBondContact CA-O 3.45Å; F13-E56 HydrophobicContact CD1-CB 3.68Å; F13-E56 HydrophobicContact CD1-CG 4.43Å; F13-E56 HydrophobicContact CE1-CB 3.87Å; F13-E56 WeakPolarHBondContact CE1-OE2 3.38Å; M14-E56 PolarHBondContact N-O 3.02Å; Y54-E56 HydrophobicContact CE1-CB 3.8Å; Y54-E56 PolarHBondContact OH-OE2 3.34Å; E56-W58 VanDerWaalsContact OE1-CD1 3.27Å; E56-W58 PolarHBondContact OE1-NE1 3.35Å; E56-R63 VanDerWaalsContact OE1-CD 3.31Å; E56-R63 WeakPolarHBondContact OE1-CD 3.28Å; E56-R63 IonicContact OE1-CZ 3.81Å; E56-R63 IonicContact OE1-NH1 2.83Å; E56-R63 PolarHBondContact OE1-NH1 3.42Å; E56-R63 IonicContact OE2-NH1 3.16Å; E56-R63 PolarHBondContact OE2-NH1 3.48Å; E56-R63 VanDerWaalsContact OE2-NH1 3.16Å
57	V	95.1	Very high	90.1	Very high	22 Å²	22	62.8 Å²	62.8	13%	0.133	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.2	177.6	-175.4	0	0	0	0	109.3	M14 A19 L26 T29 L30 M33 I59	M14-V57 HydrophobicContact CB-CG1 4.44Å; M14-V57 HydrophobicContact CB-CG2 4.4Å; M14-V57 WeakPolarHBondContact O-CA 3.47Å; A19-V57 HydrophobicContact CB-CG1 3.96Å; L26-V57 HydrophobicContact CD1-CB 4.18Å; L26-V57 HydrophobicContact CD1-CG2 4.34Å; T29-V57 HydrophobicContact CG2-CG1 4.16Å; T29-V57 HydrophobicContact CG2-CG2 4.04Å; L30-V57 HydrophobicContact CD2-CG2 4.03Å; M33-V57 HydrophobicContact CE-CG2 4.42Å; M33-V57 HydrophobicContact SD-CG2 3.59Å; M33-V57 VanDerWaalsContact SD-CG2 3.59Å; V57-I59 HydrophobicContact CG1-CG1 4.18Å; V57-I59 PolarHBondContact O-N 3.5Å
58	W	93.7	Very high	89.5	Confident	9 Å²	9	65.2 Å²	65.2	3%	0.034	33%	0.329	C	S	.	.			trans	-87.2	87.4	-178.8	-58.6	-16.8	0	0	0	111.5	M14 D15 Q16 E56 N62 R63 I64 L80 F95	M14-W58 PolarHBondContact O-N 3.37Å; D15-W58 HydrophobicContact CB-CE3 3.91Å; D15-W58 HydrophobicContact CB-CZ3 4.36Å; Q16-W58 WeakPolarHBondContact CA-O 3.49Å; Q16-W58 WeakPolarHBondContact CB-O 3.4Å; Q16-W58 PolarHBondContact N-O 3.3Å; E56-W58 VanDerWaalsContact OE1-CD1 3.27Å; E56-W58 PolarHBondContact OE1-NE1 3.35Å; W58-N62 HydrophobicContact CE3-CB 3.88Å; W58-N62 HydrophobicContact CZ3-CB 4.18Å; W58-R63 HydrophobicContact CD2-CB 4.34Å; W58-R63 HydrophobicContact CD2-CG 4.23Å; W58-R63 HydrophobicContact CH2-CB 3.95Å; W58-R63 HydrophobicContact CZ2-CB 3.73Å; W58-R63 HydrophobicContact CZ2-CG 4.19Å; W58-R63 HydrophobicContact CZ3-CB 4.32Å; W58-I64 HydrophobicContact CH2-CB 4.34Å; W58-I64 HydrophobicContact CH2-CD1 4.21Å; W58-I64 HydrophobicContact CH2-CG1 3.98Å; W58-I64 HydrophobicContact CH2-CG2 3.89Å; W58-I64 HydrophobicContact CZ3-CB 4.48Å; W58-I64 HydrophobicContact CZ3-CD1 4.32Å; W58-I64 HydrophobicContact CZ3-CG1 3.84Å; W58-L80 HydrophobicContact CH2-CD2 4.46Å; W58-L80 HydrophobicContact CZ2-CD2 3.94Å; W58-F95 HydrophobicContact CD2-CE2 4.45Å; W58-F95 AromaticContact CE3-CE2 3.99Å; W58-F95 HydrophobicContact CE3-CE2 3.99Å; W58-F95 AromaticContact CE3-CZ 3.97Å; W58-F95 HydrophobicContact CE3-CZ 3.97Å; W58-F95 AromaticContact CH2-CE2 3.56Å; W58-F95 HydrophobicContact CH2-CE2 3.56Å; W58-F95 AromaticContact CH2-CZ 3.59Å; W58-F95 HydrophobicContact CH2-CZ 3.59Å; W58-F95 HydrophobicContact CZ2-CE2 4.07Å; W58-F95 HydrophobicContact CZ3-CE1 4.44Å; W58-F95 AromaticContact CZ3-CE2 3.55Å; W58-F95 HydrophobicContact CZ3-CE2 3.55Å; W58-F95 AromaticContact CZ3-CZ 3.29Å; W58-F95 HydrophobicContact CZ3-CZ 3.29Å
59	I	88.8	Confident	88.8	Confident	97 Å²	97	70.5 Å²	70.5	50%	0.497	35%	0.354	S	S	.	.	S	Bend	trans	-76.3	-44.5	-177	-58.7	172.8	0	0	0	112	Q16 L26 V57	Q16-I59 WeakPolarHBondContact CG-O 3.26Å; Q16-I59 PolarHBondContact NE2-O 3.16Å; L26-I59 HydrophobicContact CB-CD1 4.2Å; L26-I59 HydrophobicContact CD1-CD1 3.8Å; L26-I59 HydrophobicContact CD2-CD1 3.91Å; L26-I59 HydrophobicContact CG-CD1 4.17Å; V57-I59 HydrophobicContact CG1-CG1 4.18Å; V57-I59 PolarHBondContact O-N 3.5Å
60	A	88.7	Confident	88.2	Confident	90 Å²	90	65.3 Å²	65.3	74%	0.744	34%	0.335	S	S	*	.	S	Bend	trans	-86.5	-54	-170.9	0	0	0	0	0	112.6	Q16	Q16-A60 PolarHBondContact NE2-O 2.9Å
61	E	90.6	Very high	87.7	Confident	158 Å²	158	69.4 Å²	69.4	74%	0.738	36%	0.357	S	S	*	.			trans	-147	145	-175.4	-172.9	175.5	-173.5	0	0	110.2
62	N	91.6	Very high	87.5	Confident	39 Å²	39	72.2 Å²	72.2	21%	0.209	37%	0.365	C	S	.	.			trans	-76.1	135.4	175.7	-64	-32.8	0	0	0	110.4	Q16 W58 I64	Q16-N62 VanDerWaalsContact CB-OD1 3.28Å; Q16-N62 WeakPolarHBondContact CB-OD1 3.31Å; Q16-N62 PolarHBondContact N-OD1 3.47Å; W58-N62 HydrophobicContact CE3-CB 3.88Å; W58-N62 HydrophobicContact CZ3-CB 4.18Å; N62-I64 VanDerWaalsContact C-N 3.34Å
63	R	89.8	Confident	87.2	Confident	94 Å²	94	69.8 Å²	69.8	36%	0.355	35%	0.352	S	S	.	.	S	Bend	trans	-82.9	-12	178.9	-60.1	176.5	63.9	-177.3	-3.7	113.6	E56 W58 L80	E56-R63 VanDerWaalsContact OE1-CD 3.31Å; E56-R63 WeakPolarHBondContact OE1-CD 3.28Å; E56-R63 IonicContact OE1-CZ 3.81Å; E56-R63 IonicContact OE1-NH1 2.83Å; E56-R63 PolarHBondContact OE1-NH1 3.42Å; E56-R63 IonicContact OE2-NH1 3.16Å; E56-R63 PolarHBondContact OE2-NH1 3.48Å; E56-R63 VanDerWaalsContact OE2-NH1 3.16Å; W58-R63 HydrophobicContact CD2-CB 4.34Å; W58-R63 HydrophobicContact CD2-CG 4.23Å; W58-R63 HydrophobicContact CH2-CB 3.95Å; W58-R63 HydrophobicContact CZ2-CB 3.73Å; W58-R63 HydrophobicContact CZ2-CG 4.19Å; W58-R63 HydrophobicContact CZ3-CB 4.32Å; R63-L80 HydrophobicContact CB-CD1 3.75Å
64	I	89.4	Confident	87.3	Confident	15 Å²	15	67.7 Å²	67.7	8%	0.077	34%	0.337	C	S	.	.	S	Bend	trans	-120.3	155.7	172.3	75.2	-174	0	0	0	110.5	W58 N62 K66 D76 F77 L80 F95	W58-I64 HydrophobicContact CH2-CB 4.34Å; W58-I64 HydrophobicContact CH2-CD1 4.21Å; W58-I64 HydrophobicContact CH2-CG1 3.98Å; W58-I64 HydrophobicContact CH2-CG2 3.89Å; W58-I64 HydrophobicContact CZ3-CB 4.48Å; W58-I64 HydrophobicContact CZ3-CD1 4.32Å; W58-I64 HydrophobicContact CZ3-CG1 3.84Å; N62-I64 VanDerWaalsContact C-N 3.34Å; I64-K66 PolarHBondContact O-N 3.23Å; I64-D76 HydrophobicContact CB-CB 3.97Å; I64-D76 HydrophobicContact CG2-CB 4.16Å; I64-F77 HydrophobicContact CD1-CB 4.13Å; I64-L80 HydrophobicContact CG2-CB 4.26Å; I64-L80 HydrophobicContact CG2-CD1 4.26Å; I64-F95 HydrophobicContact CD1-CD1 4.13Å; I64-F95 HydrophobicContact CD1-CE1 3.43Å; I64-F95 VanDerWaalsContact CD1-CE1 3.43Å; I64-F95 HydrophobicContact CD1-CZ 3.79Å; I64-F95 HydrophobicContact CG1-CE1 4.36Å; I64-F95 HydrophobicContact CG1-CZ 4.36Å
65	K	86.4	Confident	87.2	Confident	164 Å²	164	67.1 Å²	67.1	71%	0.713	34%	0.339	S	S	*	.			trans	-77	125.1	-179.3	-173.5	177.7	178.7	-179.4	0	110.2
66	K	82.6	Confident	87.1	Confident	68 Å²	68	67.8 Å²	67.8	30%	0.296	34%	0.341	S	S	.	.			trans	-63.2	135	172.6	-74	-65.2	-155.6	158.8	0	111.4	D15 S17 I64 E73 S97 T99	D15-K66 IonicContact OD1-NZ 3.72Å; D15-K66 WeakPolarHBondContact OD2-CE 3.31Å; D15-K66 IonicContact OD2-NZ 2.54Å; D15-K66 PolarHBondContact OD2-NZ 2.97Å; S17-K66 WeakPolarHBondContact OG-CE 3.34Å; S17-K66 PolarHBondContact OG-NZ 3.34Å; I64-K66 PolarHBondContact O-N 3.23Å; K66-E73 WeakPolarHBondContact CA-OE1 3.29Å; K66-E73 WeakPolarHBondContact CD-OE1 3.39Å; K66-S97 PolarHBondContact NZ-OG 3.01Å; K66-T99 PolarHBondContact NZ-OG1 3.17Å
67	N	80.9	Confident	87.1	Confident	52 Å²	52	66.3 Å²	66.3	28%	0.278	33%	0.334	S	S	.	.			trans	-144.3	138.6	180	-163.2	-43.9	0	0	0	110	Q69 F72 E73 T99	N67-Q69 PolarHBondContact O-N 2.95Å; N67-Q69 PolarHBondContact OD1-N 3.07Å; N67-F72 HydrophobicContact CB-CB 4.24Å; N67-F72 WeakPolarHBondContact ND2-CD2 3.37Å; N67-E73 HydrophobicContact CB-CG 3.86Å; N67-E73 PolarHBondContact N-OE1 3.49Å; N67-T99 WeakPolarHBondContact O-CG2 3.5Å
68	N	74.8	Confident	86.9	Confident	128 Å²	128	65.9 Å²	65.9	68%	0.684	33%	0.331	S	S	*	.	S	Bend	trans	-68.2	-5.7	178.1	-64.5	-20.3	0	0	0	113.3
69	Q	76.7	Confident	86.7	Confident	113 Å²	113	69.8 Å²	69.8	53%	0.528	35%	0.353	S	S	.	.	S	Bend	trans	-110.7	117.3	174.6	-51	-176	20.5	0	0	110.1	N67 L71 F72	N67-Q69 PolarHBondContact O-N 2.95Å; N67-Q69 PolarHBondContact OD1-N 3.07Å; Q69-L71 PolarHBondContact O-N 3.23Å; Q69-L71 VanDerWaalsContact O-N 3.15Å; Q69-F72 HydrophobicContact CB-CD2 3.85Å; Q69-F72 HydrophobicContact CB-CE2 4.39Å; Q69-F72 HydrophobicContact CG-CD2 4.36Å; Q69-F72 PolarHBondContact O-N 2.96Å
70	I	80	Confident	86.8	Confident	22 Å²	22	66.4 Å²	66.4	11%	0.113	34%	0.336	C	S	.	.	H	α-helix	trans	-55.3	-33.4	-178.1	-165.9	162.5	0	0	0	113.2	F72 E73 L74 F101 F107 M121	I70-F72 PolarHBondContact O-N 3.3Å; I70-E73 PolarHBondContact O-N 3.31Å; I70-L74 WeakPolarHBondContact O-CB 3.38Å; I70-L74 PolarHBondContact O-N 3.46Å; I70-F101 HydrophobicContact CB-CD1 3.49Å; I70-F101 VanDerWaalsContact CB-CD1 3.49Å; I70-F101 HydrophobicContact CB-CE1 3.5Å; I70-F101 HydrophobicContact CB-CG 4.01Å; I70-F101 HydrophobicContact CB-CZ 4.06Å; I70-F101 HydrophobicContact CD1-CD1 4.19Å; I70-F101 HydrophobicContact CD1-CD2 3.65Å; I70-F101 HydrophobicContact CD1-CE1 4.07Å; I70-F101 HydrophobicContact CD1-CE2 3.55Å; I70-F101 HydrophobicContact CD1-CG 3.96Å; I70-F101 HydrophobicContact CD1-CZ 3.76Å; I70-F101 HydrophobicContact CG1-CD1 4.06Å; I70-F101 HydrophobicContact CG1-CD2 4.36Å; I70-F101 HydrophobicContact CG1-CE1 3.71Å; I70-F101 HydrophobicContact CG1-CE2 4.07Å; I70-F101 HydrophobicContact CG1-CG 4.35Å; I70-F101 HydrophobicContact CG1-CZ 3.71Å; I70-F107 HydrophobicContact CB-CB 4.44Å; I70-F107 HydrophobicContact CD1-CB 3.36Å; I70-F107 HydrophobicContact CG1-CB 3.74Å; I70-F107 HydrophobicContact CG2-CB 3.85Å; I70-F107 HydrophobicContact CG2-CD1 4.38Å; I70-F107 HydrophobicContact CG2-CD2 4.2Å; I70-F107 HydrophobicContact CG2-CG 3.91Å; I70-M121 HydrophobicContact CD1-CB 3.94Å; I70-M121 HydrophobicContact CG1-CB 4.01Å; I70-M121 HydrophobicContact CG1-CE 4.5Å; I70-M121 HydrophobicContact CG1-SD 4.02Å
71	L	81.8	Confident	86.8	Confident	98 Å²	98	62.7 Å²	62.7	51%	0.513	30%	0.303	S	S	.	.	H	α-helix	trans	-63.3	-40	-177.4	-177.4	65.5	0	0	0	112.5	Q69 L74 N75 F107	Q69-L71 PolarHBondContact O-N 3.23Å; Q69-L71 VanDerWaalsContact O-N 3.15Å; L71-L74 PolarHBondContact O-N 3.48Å; L71-N75 PolarHBondContact O-N 3.34Å; L71-F107 HydrophobicContact CD1-CD1 4.45Å; L71-F107 HydrophobicContact CD1-CE1 3.59Å; L71-F107 HydrophobicContact CD1-CZ 4.18Å
72	F	86.8	Confident	86.4	Confident	90 Å²	90	58 Å²	58	40%	0.395	29%	0.292	S	S	.	.	H	α-helix	trans	-71.5	-42.1	177.9	-68.6	-57.4	0	0	0	111.3	N67 Q69 I70 L74 N75 D76	N67-F72 HydrophobicContact CB-CB 4.24Å; N67-F72 WeakPolarHBondContact ND2-CD2 3.37Å; Q69-F72 HydrophobicContact CB-CD2 3.85Å; Q69-F72 HydrophobicContact CB-CE2 4.39Å; Q69-F72 HydrophobicContact CG-CD2 4.36Å; Q69-F72 PolarHBondContact O-N 2.96Å; I70-F72 PolarHBondContact O-N 3.3Å; F72-L74 VanDerWaalsContact C-N 3.3Å; F72-L74 PolarHBondContact O-N 3.24Å; F72-N75 PolarHBondContact O-N 3.15Å; F72-D76 PolarHBondContact O-N 3.08Å
73	E	88.1	Confident	85.5	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-39.9	174.1	-65.7	-164.3	-179.2	0	0	111.1	K66 N67 I70 N75 D76 F77 T99 M121	K66-E73 WeakPolarHBondContact CA-OE1 3.29Å; K66-E73 WeakPolarHBondContact CD-OE1 3.39Å; N67-E73 HydrophobicContact CB-CG 3.86Å; N67-E73 PolarHBondContact N-OE1 3.49Å; I70-E73 PolarHBondContact O-N 3.31Å; E73-N75 PolarHBondContact O-N 3.03Å; E73-D76 PolarHBondContact O-N 3.11Å; E73-F77 WeakPolarHBondContact O-CB 3.48Å; E73-F77 PolarHBondContact O-N 3.07Å; E73-T99 PolarHBondContact OE1-OG1 3.2Å; E73-T99 PolarHBondContact OE2-OG1 3.13Å; E73-M121 HydrophobicContact CB-CE 3.44Å; E73-M121 VanDerWaalsContact CB-CE 3.44Å; E73-M121 HydrophobicContact CB-SD 3.55Å; E73-M121 VanDerWaalsContact CB-SD 3.55Å; E73-M121 HydrophobicContact CG-CE 4.32Å; E73-M121 WeakPolarHBondContact OE2-CE 3.36Å
74	L	90.6	Very high	83.9	Confident	7 Å²	7	62.7 Å²	62.7	4%	0.037	33%	0.325	C	S	.	.	H	α-helix	trans	-64	-43.5	178.5	174.3	63.3	0	0	0	110.9	I70 L71 F72 F77 I78 F107 A119 M121	I70-L74 WeakPolarHBondContact O-CB 3.38Å; I70-L74 PolarHBondContact O-N 3.46Å; L71-L74 PolarHBondContact O-N 3.48Å; F72-L74 VanDerWaalsContact C-N 3.3Å; F72-L74 PolarHBondContact O-N 3.24Å; L74-F77 WeakPolarHBondContact O-CB 3.37Å; L74-F77 PolarHBondContact O-N 3.39Å; L74-I78 HydrophobicContact CD1-CD1 4.16Å; L74-I78 HydrophobicContact CD1-CG1 4.27Å; L74-I78 HydrophobicContact CG-CD1 3.98Å; L74-I78 WeakPolarHBondContact O-CG1 3.44Å; L74-I78 PolarHBondContact O-N 3.16Å; L74-F107 HydrophobicContact CD2-CD1 3.61Å; L74-F107 HydrophobicContact CD2-CE1 4.1Å; L74-A119 HydrophobicContact CD1-CB 3.92Å; L74-M121 WeakPolarHBondContact CA-SD 3.43Å; L74-M121 HydrophobicContact CB-CG 4.19Å; L74-M121 HydrophobicContact CB-SD 3.77Å; L74-M121 HydrophobicContact CD1-CG 4.05Å; L74-M121 PolarHBondContact N-SD 3.44Å
75	N	90.3	Very high	82.4	Confident	66 Å²	66	72.1 Å²	72.1	35%	0.353	36%	0.359	S	S	.	.	H	α-helix	trans	-65.7	-40.3	179.6	-163.8	63.1	0	0	0	111.7	L71 F72 E73 F77 I78 N79	L71-N75 PolarHBondContact O-N 3.34Å; F72-N75 PolarHBondContact O-N 3.15Å; E73-N75 PolarHBondContact O-N 3.03Å; N75-F77 VanDerWaalsContact C-N 3.3Å; N75-F77 PolarHBondContact O-N 2.97Å; N75-I78 PolarHBondContact O-N 3.44Å; N75-N79 VanDerWaalsContact O-CG 3.22Å; N75-N79 PolarHBondContact O-N 2.96Å; N75-N79 PolarHBondContact O-ND2 2.86Å; N75-N79 VanDerWaalsContact O-ND2 3.11Å
76	D	90.8	Very high	81.2	Confident	60 Å²	60	64.9 Å²	64.9	32%	0.321	33%	0.328	S	S	.	.	H	α-helix	trans	-63.6	-37	173.2	-74	-9.2	0	0	0	111.6	I64 F72 E73 N79 L80	I64-D76 HydrophobicContact CB-CB 3.97Å; I64-D76 HydrophobicContact CG2-CB 4.16Å; F72-D76 PolarHBondContact O-N 3.08Å; E73-D76 PolarHBondContact O-N 3.11Å; D76-N79 PolarHBondContact O-N 3.2Å; D76-L80 WeakPolarHBondContact O-CB 3.17Å; D76-L80 PolarHBondContact O-N 3.47Å
77	F	92	Very high	80.4	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-66.8	-43.7	175	-178.7	-130.2	0	0	0	112.5	F13 I64 E73 L74 N75 N79 L80 L81 A93 F95 A119	F13-F77 HydrophobicContact CB-CE2 4.21Å; F13-F77 HydrophobicContact CB-CZ 4.31Å; F13-F77 HydrophobicContact CD1-CE2 4.36Å; F13-F77 AromaticContact CD2-CE2 3.82Å; F13-F77 HydrophobicContact CD2-CE2 3.82Å; F13-F77 AromaticContact CD2-CZ 3.6Å; F13-F77 HydrophobicContact CD2-CZ 3.6Å; F13-F77 HydrophobicContact CE2-CE2 4.23Å; F13-F77 HydrophobicContact CE2-CZ 4.1Å; F13-F77 AromaticContact CG-CE2 3.9Å; F13-F77 HydrophobicContact CG-CE2 3.9Å; F13-F77 HydrophobicContact CG-CZ 4.07Å; I64-F77 HydrophobicContact CD1-CB 4.13Å; E73-F77 WeakPolarHBondContact O-CB 3.48Å; E73-F77 PolarHBondContact O-N 3.07Å; L74-F77 WeakPolarHBondContact O-CB 3.37Å; L74-F77 PolarHBondContact O-N 3.39Å; N75-F77 VanDerWaalsContact C-N 3.3Å; N75-F77 PolarHBondContact O-N 2.97Å; F77-N79 VanDerWaalsContact C-N 3.31Å; F77-N79 PolarHBondContact O-N 3.38Å; F77-L80 HydrophobicContact CD2-CD2 4.25Å; F77-L80 HydrophobicContact CE2-CD2 4.46Å; F77-L80 WeakPolarHBondContact O-CB 3.38Å; F77-L80 PolarHBondContact O-N 3.21Å; F77-L80 VanDerWaalsContact O-N 3.16Å; F77-L81 HydrophobicContact CD1-CD1 4.21Å; F77-L81 HydrophobicContact CD2-CD1 4.44Å; F77-L81 HydrophobicContact CD2-CG 4.3Å; F77-L81 HydrophobicContact CE1-CD1 3.81Å; F77-L81 HydrophobicContact CE2-CD1 4.07Å; F77-L81 HydrophobicContact CE2-CD2 3.95Å; F77-L81 HydrophobicContact CE2-CG 3.95Å; F77-L81 HydrophobicContact CZ-CD1 3.73Å; F77-L81 HydrophobicContact CZ-CD2 4.08Å; F77-L81 HydrophobicContact CZ-CG 4.1Å; F77-L81 WeakPolarHBondContact O-CG 3.34Å; F77-L81 PolarHBondContact O-N 2.85Å; F77-A93 HydrophobicContact CE1-CB 4.18Å; F77-A93 HydrophobicContact CZ-CB 3.96Å; F77-F95 HydrophobicContact CD1-CB 3.81Å; F77-F95 HydrophobicContact CD2-CB 4.41Å; F77-F95 HydrophobicContact CD2-CG 4.43Å; F77-F95 HydrophobicContact CE1-CB 3.58Å; F77-F95 HydrophobicContact CE2-CB 4.2Å; F77-F95 HydrophobicContact CE2-CD2 4.48Å; F77-F95 HydrophobicContact CE2-CG 4.45Å; F77-F95 HydrophobicContact CG-CB 4.24Å; F77-F95 HydrophobicContact CG-CG 4.46Å; F77-F95 HydrophobicContact CZ-CB 3.79Å; F77-A119 HydrophobicContact CD1-CB 3.87Å; F77-A119 HydrophobicContact CE1-CB 3.97Å
78	I	91.6	Very high	79.8	Confident	13 Å²	13	68.6 Å²	68.6	7%	0.067	35%	0.353	C	S	.	.	H	α-helix	trans	-57.7	-45.9	173.2	-70.9	166.3	0	0	0	110.5	L74 N75 L80 L81 A82 A109 R117 A119	L74-I78 HydrophobicContact CD1-CD1 4.16Å; L74-I78 HydrophobicContact CD1-CG1 4.27Å; L74-I78 HydrophobicContact CG-CD1 3.98Å; L74-I78 WeakPolarHBondContact O-CG1 3.44Å; L74-I78 PolarHBondContact O-N 3.16Å; N75-I78 PolarHBondContact O-N 3.44Å; I78-L80 VanDerWaalsContact C-N 3.3Å; I78-L80 PolarHBondContact O-N 3.16Å; I78-L81 PolarHBondContact O-N 3Å; I78-A82 PolarHBondContact O-N 3.42Å; I78-A109 HydrophobicContact CD1-CB 4.45Å; I78-R117 HydrophobicContact CG2-CB 4.36Å; I78-R117 HydrophobicContact CG2-CG 4.14Å; I78-A119 HydrophobicContact CD1-CB 4.33Å; I78-A119 HydrophobicContact CG1-CB 3.5Å
79	N	90	Very high	79.8	Confident	92 Å²	92	69.1 Å²	69.1	49%	0.492	35%	0.354	S	S	.	.	H	α-helix	trans	-63.4	-35.8	178	-69	-31.7	0	0	0	112.5	N75 D76 F77 G83	N75-N79 VanDerWaalsContact O-CG 3.22Å; N75-N79 PolarHBondContact O-N 2.96Å; N75-N79 PolarHBondContact O-ND2 2.86Å; N75-N79 VanDerWaalsContact O-ND2 3.11Å; D76-N79 PolarHBondContact O-N 3.2Å; F77-N79 VanDerWaalsContact C-N 3.31Å; F77-N79 PolarHBondContact O-N 3.38Å; N79-G83 PolarHBondContact O-N 2.79Å
80	L	89.5	Confident	80.2	Confident	26 Å²	26	65.4 Å²	65.4	14%	0.136	34%	0.337	C	S	.	.	H	α-helix	trans	-63.7	-43.2	174.7	-175.5	103.5	0	0	0	111.5	W58 R63 I64 D76 F77 I78 G83	W58-L80 HydrophobicContact CH2-CD2 4.46Å; W58-L80 HydrophobicContact CZ2-CD2 3.94Å; R63-L80 HydrophobicContact CB-CD1 3.75Å; I64-L80 HydrophobicContact CG2-CB 4.26Å; I64-L80 HydrophobicContact CG2-CD1 4.26Å; D76-L80 WeakPolarHBondContact O-CB 3.17Å; D76-L80 PolarHBondContact O-N 3.47Å; F77-L80 HydrophobicContact CD2-CD2 4.25Å; F77-L80 HydrophobicContact CE2-CD2 4.46Å; F77-L80 WeakPolarHBondContact O-CB 3.38Å; F77-L80 PolarHBondContact O-N 3.21Å; F77-L80 VanDerWaalsContact O-N 3.16Å; I78-L80 VanDerWaalsContact C-N 3.3Å; I78-L80 PolarHBondContact O-N 3.16Å; L80-G83 PolarHBondContact O-N 3.5Å
81	L	89.1	Confident	80.8	Confident	12 Å²	12	64.7 Å²	64.7	6%	0.063	33%	0.333	C	S	.	.	H	α-helix	trans	-68.6	-38	179.2	-66.2	170.6	0	0	0	112.6	F13 F77 I78 G83 A93 A119	F13-L81 HydrophobicContact CE2-CD2 3.79Å; F13-L81 HydrophobicContact CZ-CD2 3.86Å; F77-L81 HydrophobicContact CD1-CD1 4.21Å; F77-L81 HydrophobicContact CD2-CD1 4.44Å; F77-L81 HydrophobicContact CD2-CG 4.3Å; F77-L81 HydrophobicContact CE1-CD1 3.81Å; F77-L81 HydrophobicContact CE2-CD1 4.07Å; F77-L81 HydrophobicContact CE2-CD2 3.95Å; F77-L81 HydrophobicContact CE2-CG 3.95Å; F77-L81 HydrophobicContact CZ-CD1 3.73Å; F77-L81 HydrophobicContact CZ-CD2 4.08Å; F77-L81 HydrophobicContact CZ-CG 4.1Å; F77-L81 WeakPolarHBondContact O-CG 3.34Å; F77-L81 PolarHBondContact O-N 2.85Å; I78-L81 PolarHBondContact O-N 3Å; L81-G83 VanDerWaalsContact C-N 3.28Å; L81-G83 PolarHBondContact O-N 3.02Å; L81-A93 HydrophobicContact CD1-CB 3.52Å; L81-A93 HydrophobicContact CD2-CB 4.02Å; L81-A93 HydrophobicContact CG-CB 4.43Å; L81-A119 HydrophobicContact CD1-CB 3.84Å
82	A	82.7	Confident	81.4	Confident	60 Å²	60	60 Å²	60	50%	0.496	31%	0.309	S	S	.	.	H	α-helix	trans	-72.1	-20.5	177.6	0	0	0	0	0	113.2	I78	I78-A82 PolarHBondContact O-N 3.42Å
83	G	72.7	Confident	81.8	Confident	31 Å²	31	55.7 Å²	55.7	32%	0.32	29%	0.29	S	S	.	.	S	Bend	trans	-75.5	153.8	178.2	0	0	0	0	0	113.3	N79 L80 L81 R85 V86	N79-G83 PolarHBondContact O-N 2.79Å; L80-G83 PolarHBondContact O-N 3.5Å; L81-G83 VanDerWaalsContact C-N 3.28Å; L81-G83 PolarHBondContact O-N 3.02Å; G83-R85 PolarHBondContact O-N 2.96Å; G83-V86 PolarHBondContact O-N 2.85Å
84	E	55.6	Low	82.3	Confident	200 Å²	200	55.7 Å²	55.7	94%	0.935	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-4.9	178.7	-63.8	-179.2	162.6	0	0	115.3
85	R	58.3	Low	82.5	Confident	212 Å²	212	55.4 Å²	55.4	80%	0.8	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-8.7	-172.5	-64.4	-173.7	179.3	176.6	0.2	114.1	G83	G83-R85 PolarHBondContact O-N 2.96Å
86	V	61.2	Low	82.7	Confident	12 Å²	12	52.3 Å²	52.3	7%	0.073	27%	0.271	C	S	.	.			trans	-126.2	83	174.9	-174.1	0	0	0	0	107.7	F13 G83 V88	F13-V86 HydrophobicContact CZ-CG1 4.08Å; G83-V86 PolarHBondContact O-N 2.85Å; V86-V88 HydrophobicContact CG1-CB 4.05Å; V86-V88 HydrophobicContact CG1-CG2 3.93Å; V86-V88 PolarHBondContact O-N 2.75Å
87	N	66.2	Low	82.8	Confident	163 Å²	163	49.4 Å²	49.4	87%	0.872	26%	0.256	S	S	*	.			trans	-78.8	57.3	-179.8	-165.5	20.3	0	0	0	111.3
88	V	68.2	Low	82.6	Confident	35 Å²	35	50.6 Å²	50.6	21%	0.212	27%	0.266	C	S	.	.			trans	-126.2	121.9	-175.7	179.8	0	0	0	0	108.8	Y54 V86 H90	Y54-V88 VanDerWaalsContact CB-CG1 3.41Å; Y54-V88 HydrophobicContact CD1-CG1 4.35Å; Y54-V88 HydrophobicContact CD1-CG2 4.09Å; Y54-V88 HydrophobicContact CD2-CG1 4.19Å; Y54-V88 HydrophobicContact CD2-CG2 3.59Å; Y54-V88 HydrophobicContact CE1-CG2 4.26Å; Y54-V88 HydrophobicContact CE2-CG2 3.79Å; Y54-V88 HydrophobicContact CG-CB 4.29Å; Y54-V88 HydrophobicContact CG-CG1 3.76Å; Y54-V88 HydrophobicContact CG-CG2 3.75Å; V86-V88 HydrophobicContact CG1-CB 4.05Å; V86-V88 HydrophobicContact CG1-CG2 3.93Å; V86-V88 PolarHBondContact O-N 2.75Å; V88-H90 PolarHBondContact O-N 2.86Å; V88-H90 PolarHBondContact O-ND1 2.73Å
89	I	73.3	Confident	82.1	Confident	139 Å²	139	50.7 Å²	50.7	71%	0.713	27%	0.267	S	S	*	.			trans	-73.3	117.6	173.1	-57.4	173.2	0	0	0	108.4
90	H	84.8	Confident	81.2	Confident	36 Å²	36	53.9 Å²	53.9	17%	0.167	28%	0.277	C	S	.	.			trans	-135.3	146.2	176.9	58.4	-89.5	0	0	0	110.3	S11 V88	S11-H90 VanDerWaalsContact OG-CB 3.25Å; S11-H90 WeakPolarHBondContact OG-CB 3.43Å; V88-H90 PolarHBondContact O-N 2.86Å; V88-H90 PolarHBondContact O-ND1 2.73Å
91	D	92.8	Very high	80.3	Confident	6 Å²	6	54.1 Å²	54.1	3%	0.032	28%	0.277	C	S	.	.	S	Bend	trans	-88.1	-27.4	175.2	-58.3	-25.9	0	0	0	110.4	L8 K9 C114 A118 C196 L197	L8-D91 HydrophobicContact CG-CB 4.44Å; K9-D91 HydrophobicContact CB-CB 4.42Å; K9-D91 WeakPolarHBondContact CB-OD2 3.42Å; K9-D91 VanDerWaalsContact CE-OD2 3.32Å; K9-D91 WeakPolarHBondContact CE-OD2 3.42Å; K9-D91 PolarHBondContact N-OD2 3.07Å; K9-D91 IonicContact NZ-OD1 3.49Å; K9-D91 PolarHBondContact O-N 3.44Å; D91-C114 PolarHBondContact O-N 2.94Å; D91-A118 WeakPolarHBondContact O-CB 3.45Å; D91-C196 WeakPolarHBondContact CB-SG 3.29Å; D91-C196 PolarHBondContact OD1-SG 3.3Å; D91-L197 HydrophobicContact CB-CD2 4.32Å
92	A	95.2	Very high	78.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	153.3	173.2	0	0	0	0	0	110.5	L8 K9 L10 S11 V113 A118 L141 M144	L8-A92 HydrophobicContact CD1-CB 4.44Å; L8-A92 HydrophobicContact CD2-CB 4.3Å; K9-A92 PolarHBondContact O-N 2.84Å; L10-A92 WeakPolarHBondContact CA-O 3.33Å; L10-A92 HydrophobicContact CD1-CB 4.44Å; S11-A92 PolarHBondContact N-O 2.81Å; A92-V113 HydrophobicContact CB-CG2 4.37Å; A92-A118 CarbonylContact C-O 3.51Å; A92-A118 WeakPolarHBondContact CA-O 3.38Å; A92-L141 HydrophobicContact CB-CD2 3.83Å; A92-M144 HydrophobicContact CB-CE 3.66Å
93	A	95.9	Very high	78.1	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.8	174.7	0	0	0	0	0	110.8	S11 F13 F77 L81 A118 A119 G120	S11-A93 CarbonylContact O-C 3.54Å; S11-A93 VanDerWaalsContact O-CA 3.27Å; S11-A93 WeakPolarHBondContact O-CA 3.07Å; F13-A93 HydrophobicContact CE2-CB 4.31Å; F77-A93 HydrophobicContact CE1-CB 4.18Å; F77-A93 HydrophobicContact CZ-CB 3.96Å; L81-A93 HydrophobicContact CD1-CB 3.52Å; L81-A93 HydrophobicContact CD2-CB 4.02Å; L81-A93 HydrophobicContact CG-CB 4.43Å; A93-A118 PolarHBondContact N-O 3.47Å; A93-A119 CarbonylContact O-C 3.59Å; A93-A119 VanDerWaalsContact O-CA 3.28Å; A93-A119 WeakPolarHBondContact O-CA 3.46Å; A93-G120 PolarHBondContact O-N 3.39Å
94	L	97	Very high	77.9	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.5	175.2	-66.6	177.5	0	0	0	110.4	L10 S11 L12 F13 G120 I122 M137 T140 L141 M144	L10-L94 HydrophobicContact CD1-CB 4.25Å; L10-L94 HydrophobicContact CD1-CD1 3.92Å; L10-L94 HydrophobicContact CD1-CG 3.76Å; L10-L94 HydrophobicContact CD2-CD1 4.26Å; S11-L94 PolarHBondContact O-N 3.39Å; L12-L94 HydrophobicContact CD1-CB 3.77Å; F13-L94 PolarHBondContact N-O 3.08Å; L94-G120 CarbonylContact C-O 3.51Å; L94-G120 WeakPolarHBondContact CA-O 3.32Å; L94-I122 HydrophobicContact CD1-CD1 4.33Å; L94-M137 HydrophobicContact CD1-CB 3.82Å; L94-M137 HydrophobicContact CD1-CE 3.94Å; L94-M137 HydrophobicContact CD1-CG 3.86Å; L94-T140 HydrophobicContact CD2-CG2 3.56Å; L94-L141 HydrophobicContact CD1-CD1 4.33Å; L94-L141 HydrophobicContact CD1-CD2 4.43Å; L94-L141 HydrophobicContact CD1-CG 4.11Å; L94-M144 HydrophobicContact CD2-SD 4.03Å
95	F	95.5	Very high	79.1	Confident	1 Å²	1	61.4 Å²	61.4	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	119.1	-178.5	-176.8	-124	0	0	0	111.9	F13 D15 W58 I64 F77 G120 M121 I122	F13-F95 HydrophobicContact CB-CB 4.48Å; F13-F95 HydrophobicContact CB-CD2 3.47Å; F13-F95 VanDerWaalsContact CB-CD2 3.47Å; F13-F95 HydrophobicContact CB-CE2 4.17Å; F13-F95 HydrophobicContact CB-CG 4.43Å; F13-F95 CarbonylContact O-C 3.59Å; F13-F95 WeakPolarHBondContact O-CA 3.2Å; D15-F95 HydrophobicContact CB-CE1 4.49Å; D15-F95 HydrophobicContact CB-CE2 3.95Å; D15-F95 HydrophobicContact CB-CZ 3.59Å; W58-F95 HydrophobicContact CD2-CE2 4.45Å; W58-F95 AromaticContact CE3-CE2 3.99Å; W58-F95 HydrophobicContact CE3-CE2 3.99Å; W58-F95 AromaticContact CE3-CZ 3.97Å; W58-F95 HydrophobicContact CE3-CZ 3.97Å; W58-F95 AromaticContact CH2-CE2 3.56Å; W58-F95 HydrophobicContact CH2-CE2 3.56Å; W58-F95 AromaticContact CH2-CZ 3.59Å; W58-F95 HydrophobicContact CH2-CZ 3.59Å; W58-F95 HydrophobicContact CZ2-CE2 4.07Å; W58-F95 HydrophobicContact CZ3-CE1 4.44Å; W58-F95 AromaticContact CZ3-CE2 3.55Å; W58-F95 HydrophobicContact CZ3-CE2 3.55Å; W58-F95 AromaticContact CZ3-CZ 3.29Å; W58-F95 HydrophobicContact CZ3-CZ 3.29Å; I64-F95 HydrophobicContact CD1-CD1 4.13Å; I64-F95 HydrophobicContact CD1-CE1 3.43Å; I64-F95 VanDerWaalsContact CD1-CE1 3.43Å; I64-F95 HydrophobicContact CD1-CZ 3.79Å; I64-F95 HydrophobicContact CG1-CE1 4.36Å; I64-F95 HydrophobicContact CG1-CZ 4.36Å; F77-F95 HydrophobicContact CD1-CB 3.81Å; F77-F95 HydrophobicContact CD2-CB 4.41Å; F77-F95 HydrophobicContact CD2-CG 4.43Å; F77-F95 HydrophobicContact CE1-CB 3.58Å; F77-F95 HydrophobicContact CE2-CB 4.2Å; F77-F95 HydrophobicContact CE2-CD2 4.48Å; F77-F95 HydrophobicContact CE2-CG 4.45Å; F77-F95 HydrophobicContact CG-CB 4.24Å; F77-F95 HydrophobicContact CG-CG 4.46Å; F77-F95 HydrophobicContact CZ-CB 3.79Å; F95-G120 PolarHBondContact N-O 3.03Å; F95-M121 HydrophobicContact CB-CG 4.27Å; F95-M121 HydrophobicContact CD1-CE 3.53Å; F95-M121 HydrophobicContact CD1-CG 4.15Å; F95-M121 HydrophobicContact CD1-SD 4.33Å; F95-M121 HydrophobicContact CE1-CE 3.87Å; F95-M121 CarbonylContact O-C 3.52Å; F95-M121 WeakPolarHBondContact O-CA 3.18Å; F95-I122 PolarHBondContact O-N 3.02Å
96	L	95.1	Very high	80.4	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122	179.3	-54.5	-176.3	0	0	0	110.1	L12 F13 M14 D15 I122 M124	L12-L96 HydrophobicContact CD1-CD1 4.26Å; L12-L96 HydrophobicContact CD1-CD2 4.33Å; L12-L96 HydrophobicContact CD1-CG 4.03Å; L12-L96 HydrophobicContact CD2-CD1 4.43Å; L12-L96 HydrophobicContact CG-CD1 4.5Å; F13-L96 PolarHBondContact O-N 2.82Å; M14-L96 WeakPolarHBondContact CA-O 3.37Å; M14-L96 HydrophobicContact CB-CB 4.35Å; M14-L96 HydrophobicContact CE-CB 4.34Å; M14-L96 HydrophobicContact CE-CD1 3.63Å; M14-L96 HydrophobicContact CG-CB 4.23Å; D15-L96 PolarHBondContact N-O 2.86Å; D15-L96 VanDerWaalsContact N-O 3.1Å; L96-I122 HydrophobicContact CD2-CB 3.77Å; L96-I122 HydrophobicContact CD2-CD1 3.87Å; L96-I122 HydrophobicContact CD2-CG1 4.3Å; L96-I122 HydrophobicContact CD2-CG2 4.22Å; L96-M124 HydrophobicContact CB-SD 4.06Å
97	S	92.5	Very high	81.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	137.5	-174.2	170.3	0	0	0	0	110.7	D15 K66 T99 I122 G123 M124	D15-S97 VanDerWaalsContact OD2-CA 3.26Å; D15-S97 WeakPolarHBondContact OD2-CA 3.11Å; D15-S97 WeakPolarHBondContact OD2-CB 3.32Å; D15-S97 PolarHBondContact OD2-OG 3.3Å; K66-S97 PolarHBondContact NZ-OG 3.01Å; S97-T99 PolarHBondContact O-N 2.93Å; S97-T99 WeakPolarHBondContact OG-CB 3.42Å; S97-T99 PolarHBondContact OG-N 3.44Å; S97-T99 VanDerWaalsContact OG-N 3.16Å; S97-T99 PolarHBondContact OG-OG1 3.32Å; S97-I122 PolarHBondContact N-O 3.31Å; S97-G123 CarbonylContact O-C 3.44Å; S97-G123 VanDerWaalsContact O-CA 3.3Å; S97-G123 WeakPolarHBondContact O-CA 3.32Å; S97-M124 PolarHBondContact O-N 2.69Å
98	A	88.5	Confident	83	Confident	24 Å²	24	48.5 Å²	48.5	20%	0.198	25%	0.246	C	C	.	.			trans	-85.5	16.2	171.9	0	0	0	0	0	113	S17 A18 L21 K100 M124	S17-A98 PolarHBondContact OG-N 3.45Å; A18-A98 HydrophobicContact CB-CB 4.45Å; L21-A98 HydrophobicContact CB-CB 4.26Å; L21-A98 HydrophobicContact CD2-CB 3.82Å; A98-K100 PolarHBondContact O-N 2.95Å; A98-M124 WeakPolarHBondContact CA-O 3.3Å
99	T	80	Confident	84.1	Confident	15 Å²	15	47.7 Å²	47.7	9%	0.092	24%	0.243	C	C	.	.			trans	-63.8	124.6	171.7	-61.9	0	0	0	0	109	K66 N67 E73 S97 F101	K66-T99 PolarHBondContact NZ-OG1 3.17Å; N67-T99 WeakPolarHBondContact O-CG2 3.5Å; E73-T99 PolarHBondContact OE1-OG1 3.2Å; E73-T99 PolarHBondContact OE2-OG1 3.13Å; S97-T99 PolarHBondContact O-N 2.93Å; S97-T99 WeakPolarHBondContact OG-CB 3.42Å; S97-T99 PolarHBondContact OG-N 3.44Å; S97-T99 VanDerWaalsContact OG-N 3.16Å; S97-T99 PolarHBondContact OG-OG1 3.32Å; T99-F101 HydrophobicContact CG2-CD1 3.79Å; T99-F101 HydrophobicContact CG2-CE1 3.36Å; T99-F101 HydrophobicContact CG2-CZ 3.98Å; T99-F101 WeakPolarHBondContact O-CD2 3.48Å; T99-F101 WeakPolarHBondContact O-CE2 3.46Å; T99-F101 PolarHBondContact O-N 3.22Å
100	K	71.3	Confident	84.9	Confident	160 Å²	160	43.6 Å²	43.6	70%	0.696	23%	0.23	S	C	*	.			trans	-73.1	109.5	174	-69.5	-174.3	179.1	-175.2	0	109.3	A98	A98-K100 PolarHBondContact O-N 2.95Å
101	F	69.9	Low	85.1	Confident	31 Å²	31	45.2 Å²	45.2	14%	0.136	24%	0.238	C	C	.	.			trans	-91.4	138.3	175.7	-54.3	-57.1	0	0	0	110.2	I70 T99 K103 S104 M121	I70-F101 HydrophobicContact CB-CD1 3.49Å; I70-F101 VanDerWaalsContact CB-CD1 3.49Å; I70-F101 HydrophobicContact CB-CE1 3.5Å; I70-F101 HydrophobicContact CB-CG 4.01Å; I70-F101 HydrophobicContact CB-CZ 4.06Å; I70-F101 HydrophobicContact CD1-CD1 4.19Å; I70-F101 HydrophobicContact CD1-CD2 3.65Å; I70-F101 HydrophobicContact CD1-CE1 4.07Å; I70-F101 HydrophobicContact CD1-CE2 3.55Å; I70-F101 HydrophobicContact CD1-CG 3.96Å; I70-F101 HydrophobicContact CD1-CZ 3.76Å; I70-F101 HydrophobicContact CG1-CD1 4.06Å; I70-F101 HydrophobicContact CG1-CD2 4.36Å; I70-F101 HydrophobicContact CG1-CE1 3.71Å; I70-F101 HydrophobicContact CG1-CE2 4.07Å; I70-F101 HydrophobicContact CG1-CG 4.35Å; I70-F101 HydrophobicContact CG1-CZ 3.71Å; T99-F101 HydrophobicContact CG2-CD1 3.79Å; T99-F101 HydrophobicContact CG2-CE1 3.36Å; T99-F101 HydrophobicContact CG2-CZ 3.98Å; T99-F101 WeakPolarHBondContact O-CD2 3.48Å; T99-F101 WeakPolarHBondContact O-CE2 3.46Å; T99-F101 PolarHBondContact O-N 3.22Å; F101-K103 VanDerWaalsContact C-N 3.28Å; F101-K103 PolarHBondContact O-N 3.47Å; F101-S104 VanDerWaalsContact CB-O 3.26Å; F101-S104 WeakPolarHBondContact CB-O 3.43Å; F101-M121 HydrophobicContact CZ-CE 4.03Å
102	N	61.4	Low	85.1	Confident	152 Å²	152	45.3 Å²	45.3	81%	0.813	24%	0.238	S	C	*	.	S	Bend	trans	-65.4	-23.2	-167	-73.5	-28.1	0	0	0	115.2
103	K	64.2	Low	85	Confident	199 Å²	199	45.6 Å²	45.6	87%	0.865	24%	0.24	S	C	*	.	S	Bend	trans	-147	-16.6	-171.5	-67.8	-170.7	178.3	-178.6	0	116.5	F101	F101-K103 VanDerWaalsContact C-N 3.28Å; F101-K103 PolarHBondContact O-N 3.47Å
104	S	69.7	Low	84.7	Confident	57 Å²	57	46.8 Å²	46.8	40%	0.399	25%	0.249	S	C	.	.			trans	-139.9	130.8	-172.5	-56.1	0	0	0	0	109.7	F101 S106	F101-S104 VanDerWaalsContact CB-O 3.26Å; F101-S104 WeakPolarHBondContact CB-O 3.43Å; S104-S106 PolarHBondContact O-N 3.31Å
105	L	79.8	Confident	84.3	Confident	48 Å²	48	48.2 Å²	48.2	25%	0.251	26%	0.259	S	S	.	.	S	Bend	trans	-77.7	-6.6	176.4	-65.4	176.5	0	0	0	112.8	I122 G123 L136	L105-I122 CarbonylContact O-C 3.56Å; L105-I122 WeakPolarHBondContact O-CA 3.42Å; L105-G123 PolarHBondContact O-N 3.32Å; L105-L136 HydrophobicContact CB-CD1 4.45Å; L105-L136 HydrophobicContact CB-CD2 4.13Å; L105-L136 HydrophobicContact CD1-CD2 4.3Å
106	S	86.6	Confident	83.7	Confident	14 Å²	14	55.5 Å²	55.5	10%	0.098	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	158.2	175.7	58.8	0	0	0	0	111.8	S104 M121 H139 T140	S104-S106 PolarHBondContact O-N 3.31Å; S106-M121 CarbonylContact C-O 3.54Å; S106-M121 WeakPolarHBondContact CA-O 3.5Å; S106-M121 WeakPolarHBondContact CB-O 3.21Å; S106-H139 PolarHBondContact OG-CD2 2.91Å; S106-H139 VanDerWaalsContact OG-CD2 3.27Å; S106-T140 WeakPolarHBondContact CB-OG1 3.3Å
107	F	88.7	Confident	83.5	Confident	84 Å²	84	62.6 Å²	62.6	37%	0.368	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	141	174.9	-158.4	-98	0	0	0	109.2	I70 L71 L74 G120 M121	I70-F107 HydrophobicContact CB-CB 4.44Å; I70-F107 HydrophobicContact CD1-CB 3.36Å; I70-F107 HydrophobicContact CG1-CB 3.74Å; I70-F107 HydrophobicContact CG2-CB 3.85Å; I70-F107 HydrophobicContact CG2-CD1 4.38Å; I70-F107 HydrophobicContact CG2-CD2 4.2Å; I70-F107 HydrophobicContact CG2-CG 3.91Å; L71-F107 HydrophobicContact CD1-CD1 4.45Å; L71-F107 HydrophobicContact CD1-CE1 3.59Å; L71-F107 HydrophobicContact CD1-CZ 4.18Å; L74-F107 HydrophobicContact CD2-CD1 3.61Å; L74-F107 HydrophobicContact CD2-CE1 4.1Å; F107-G120 CarbonylContact O-C 3.56Å; F107-G120 WeakPolarHBondContact O-CA 3.41Å; F107-M121 PolarHBondContact N-O 3.02Å; F107-M121 PolarHBondContact O-N 2.96Å
108	S	92.4	Very high	83.5	Confident	17 Å²	17	62.6 Å²	62.6	12%	0.119	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	162.1	-179.9	51.5	0	0	0	0	112.1	A110 T140 H143	S108-A110 PolarHBondContact O-N 3.11Å; S108-T140 PolarHBondContact OG-O 3.31Å; S108-H143 WeakPolarHBondContact OG-CB 3.46Å
109	A	91.4	Very high	83.8	Confident	18 Å²	18	61.4 Å²	61.4	15%	0.149	31%	0.31	C	S	.	.			trans	-70.7	112.8	162.8	0	0	0	0	0	108.2	I78 S112 R117 A119 M144	I78-A109 HydrophobicContact CD1-CB 4.45Å; A109-S112 VanDerWaalsContact O-CB 3.27Å; A109-S112 WeakPolarHBondContact O-CB 3.15Å; A109-S112 PolarHBondContact O-OG 3.46Å; A109-R117 VanDerWaalsContact CB-O 3.3Å; A109-R117 WeakPolarHBondContact CB-O 3.43Å; A109-A119 PolarHBondContact N-O 2.99Å; A109-M144 WeakPolarHBondContact O-CG 3.43Å
110	A	89.8	Confident	84.5	Confident	54 Å²	54	60.7 Å²	60.7	45%	0.446	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	151.9	177.1	0	0	0	0	0	111.2	S108 S112 H143	S108-A110 PolarHBondContact O-N 3.11Å; A110-S112 PolarHBondContact O-N 3.14Å; A110-H143 WeakPolarHBondContact CA-O 3.45Å
111	H	89.9	Confident	85.6	Confident	70 Å²	70	53.1 Å²	53.1	32%	0.324	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	18.9	176.4	-52	103.7	0	0	0	115.4	H143 M144 G146 W188 E294	H111-H143 PolarHBondContact N-O 3.43Å; H111-H143 VanDerWaalsContact N-O 3.08Å; H111-M144 CarbonylContact C-O 3.49Å; H111-M144 VanDerWaalsContact C-O 3.24Å; H111-M144 WeakPolarHBondContact CA-O 3.47Å; H111-M144 PolarHBondContact N-O 3.29Å; H111-G146 WeakPolarHBondContact CD2-CA 3.48Å; H111-G146 VanDerWaalsContact NE2-CA 3.28Å; H111-G146 WeakPolarHBondContact NE2-CA 3.38Å; H111-W188 AromaticContact CD2-CD1 3.57Å; H111-W188 AromaticContact CD2-NE1 3.76Å; H111-E294 IonicContact CE1-OE1 3.13Å; H111-E294 PolarHBondContact CE1-OE1 2.02Å; H111-E294 IonicContact CG-OE1 2.92Å; H111-E294 IonicContact ND1-OE1 2.61Å; H111-E294 PolarHBondContact ND1-OE1 2.85Å
112	S	92.2	Very high	86.6	Confident	7 Å²	7	51.6 Å²	51.6	5%	0.049	27%	0.266	C	S	.	.			trans	-94.5	-8.7	-165.5	63.9	0	0	0	0	114.4	A109 A110 C114 S115 A118 M144	A109-S112 VanDerWaalsContact O-CB 3.27Å; A109-S112 WeakPolarHBondContact O-CB 3.15Å; A109-S112 PolarHBondContact O-OG 3.46Å; A110-S112 PolarHBondContact O-N 3.14Å; S112-C114 PolarHBondContact O-N 3.08Å; S112-S115 VanDerWaalsContact O-CB 3.28Å; S112-S115 WeakPolarHBondContact O-CB 3.46Å; S112-S115 PolarHBondContact O-N 3.22Å; S112-S115 PolarHBondContact O-OG 3.18Å; S112-A118 WeakPolarHBondContact O-CA 3.48Å; S112-A118 WeakPolarHBondContact O-CB 3.27Å; S112-A118 WeakPolarHBondContact OG-CA 3.2Å; S112-M144 PolarHBondContact N-O 3.23Å
113	V	93.4	Very high	87.9	Confident	6 Å²	6	44.5 Å²	44.5	4%	0.036	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	135.5	179.2	169.1	0	0	0	0	110.2	L8 A92 M144 M145 W188 L197	L8-V113 HydrophobicContact CD1-CG1 4.5Å; L8-V113 HydrophobicContact CD1-CG2 4.49Å; A92-V113 HydrophobicContact CB-CG2 4.37Å; V113-M144 HydrophobicContact CG2-CB 3.69Å; V113-M144 HydrophobicContact CG2-CE 4.44Å; V113-M144 PolarHBondContact N-O 2.88Å; V113-M145 HydrophobicContact CG2-CG 3.78Å; V113-W188 HydrophobicContact CB-CH2 3.75Å; V113-W188 HydrophobicContact CB-CZ2 4.23Å; V113-W188 HydrophobicContact CG1-CH2 4.04Å; V113-L197 HydrophobicContact CG1-CD1 4.08Å; V113-L197 HydrophobicContact CG1-CD2 3.82Å; V113-L197 HydrophobicContact CG1-CG 4.05Å
114	C	89.5	Confident	89	Confident	26 Å²	26	35 Å²	35	18%	0.176	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	13.9	-171.6	-43.8	0	0	0	0	116.5	D91 S112 G194 H195 C196	D91-C114 PolarHBondContact O-N 2.94Å; S112-C114 PolarHBondContact O-N 3.08Å; C114-G194 VanDerWaalsContact SG-C 3.5Å; C114-G194 VanDerWaalsContact SG-CA 3.56Å; C114-H195 WeakPolarHBondContact CB-CE1 3.3Å; C114-C196 WeakPolarHBondContact CA-SG 3.46Å; C114-C196 HydrophobicContact CB-CB 3.64Å; C114-C196 WeakPolarHBondContact CB-SG 3.28Å; C114-C196 VanDerWaalsContact SG-CA 3.59Å; C114-C196 WeakPolarHBondContact SG-CB 3.4Å; C114-C196 PolarHBondContact SG-N 2.89Å; C114-C196 CovalentContact SG-SG 2.02Å; C114-C196 PolarHBondContact SG-SG 2.81Å
115	S	88.2	Confident	89.4	Confident	30 Å²	30	35.2 Å²	35.2	21%	0.21	19%	0.192	C	C	.	.	S	Bend	trans	-114.1	165.6	172.6	77.5	0	0	0	0	111.8	S112 R117 A118	S112-S115 VanDerWaalsContact O-CB 3.28Å; S112-S115 WeakPolarHBondContact O-CB 3.46Å; S112-S115 PolarHBondContact O-N 3.22Å; S112-S115 PolarHBondContact O-OG 3.18Å; S115-R117 PolarHBondContact O-N 3.06Å; S115-R117 VanDerWaalsContact O-N 3.1Å; S115-R117 PolarHBondContact OG-N 3.39Å; S115-R117 VanDerWaalsContact OG-N 3.17Å; S115-A118 WeakPolarHBondContact O-CB 3.39Å; S115-A118 PolarHBondContact O-N 3.39Å; S115-A118 PolarHBondContact OG-N 3.33Å
116	E	83.9	Confident	89.7	Confident	154 Å²	154	39.4 Å²	39.4	72%	0.72	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.9	171.8	-62.8	179.5	173.9	0	0	112.9
117	R	89.4	Confident	89.8	Confident	148 Å²	148	44.5 Å²	44.5	56%	0.558	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	8.7	178.8	-57.1	-178	68.3	134.2	3.5	112.7	I78 A109 S115 A119	I78-R117 HydrophobicContact CG2-CB 4.36Å; I78-R117 HydrophobicContact CG2-CG 4.14Å; A109-R117 VanDerWaalsContact CB-O 3.3Å; A109-R117 WeakPolarHBondContact CB-O 3.43Å; S115-R117 PolarHBondContact O-N 3.06Å; S115-R117 VanDerWaalsContact O-N 3.1Å; S115-R117 PolarHBondContact OG-N 3.39Å; S115-R117 VanDerWaalsContact OG-N 3.17Å; R117-A119 PolarHBondContact O-N 2.99Å
118	A	93.5	Very high	89.8	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.			trans	-66.4	64.9	-176.4	0	0	0	0	0	112.7	D91 A92 A93 S112 S115 M144	D91-A118 WeakPolarHBondContact O-CB 3.45Å; A92-A118 CarbonylContact C-O 3.51Å; A92-A118 WeakPolarHBondContact CA-O 3.38Å; A93-A118 PolarHBondContact N-O 3.47Å; S112-A118 WeakPolarHBondContact O-CA 3.48Å; S112-A118 WeakPolarHBondContact O-CB 3.27Å; S112-A118 WeakPolarHBondContact OG-CA 3.2Å; S115-A118 WeakPolarHBondContact O-CB 3.39Å; S115-A118 PolarHBondContact O-N 3.39Å; S115-A118 PolarHBondContact OG-N 3.33Å; A118-M144 HydrophobicContact CB-CE 4.29Å; A118-M144 WeakPolarHBondContact O-CE 3.4Å
119	A	94.9	Very high	89.8	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.2	-172.1	0	0	0	0	0	112.2	L74 F77 I78 L81 A93 A109 R117	L74-A119 HydrophobicContact CD1-CB 3.92Å; F77-A119 HydrophobicContact CD1-CB 3.87Å; F77-A119 HydrophobicContact CE1-CB 3.97Å; I78-A119 HydrophobicContact CD1-CB 4.33Å; I78-A119 HydrophobicContact CG1-CB 3.5Å; L81-A119 HydrophobicContact CD1-CB 3.84Å; A93-A119 CarbonylContact O-C 3.59Å; A93-A119 VanDerWaalsContact O-CA 3.28Å; A93-A119 WeakPolarHBondContact O-CA 3.46Å; A109-A119 PolarHBondContact N-O 2.99Å; R117-A119 PolarHBondContact O-N 2.99Å
120	G	94.9	Very high	89.9	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	156.3	171.1	0	0	0	0	0	112.3	A93 L94 F95 F107	A93-G120 PolarHBondContact O-N 3.39Å; L94-G120 CarbonylContact C-O 3.51Å; L94-G120 WeakPolarHBondContact CA-O 3.32Å; F95-G120 PolarHBondContact N-O 3.03Å; F107-G120 CarbonylContact O-C 3.56Å; F107-G120 WeakPolarHBondContact O-CA 3.41Å
121	M	93.2	Very high	89.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	141.8	178	-72.7	-169.3	72.6	0	0	110.4	I70 E73 L74 F95 F101 S106 F107	I70-M121 HydrophobicContact CD1-CB 3.94Å; I70-M121 HydrophobicContact CG1-CB 4.01Å; I70-M121 HydrophobicContact CG1-CE 4.5Å; I70-M121 HydrophobicContact CG1-SD 4.02Å; E73-M121 HydrophobicContact CB-CE 3.44Å; E73-M121 VanDerWaalsContact CB-CE 3.44Å; E73-M121 HydrophobicContact CB-SD 3.55Å; E73-M121 VanDerWaalsContact CB-SD 3.55Å; E73-M121 HydrophobicContact CG-CE 4.32Å; E73-M121 WeakPolarHBondContact OE2-CE 3.36Å; L74-M121 WeakPolarHBondContact CA-SD 3.43Å; L74-M121 HydrophobicContact CB-CG 4.19Å; L74-M121 HydrophobicContact CB-SD 3.77Å; L74-M121 HydrophobicContact CD1-CG 4.05Å; L74-M121 PolarHBondContact N-SD 3.44Å; F95-M121 HydrophobicContact CB-CG 4.27Å; F95-M121 HydrophobicContact CD1-CE 3.53Å; F95-M121 HydrophobicContact CD1-CG 4.15Å; F95-M121 HydrophobicContact CD1-SD 4.33Å; F95-M121 HydrophobicContact CE1-CE 3.87Å; F95-M121 CarbonylContact O-C 3.52Å; F95-M121 WeakPolarHBondContact O-CA 3.18Å; F101-M121 HydrophobicContact CZ-CE 4.03Å; S106-M121 CarbonylContact C-O 3.54Å; S106-M121 WeakPolarHBondContact CA-O 3.5Å; S106-M121 WeakPolarHBondContact CB-O 3.21Å; F107-M121 PolarHBondContact N-O 3.02Å; F107-M121 PolarHBondContact O-N 2.96Å
122	I	92.2	Very high	89.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.8	177.7	-57.1	171.5	0	0	0	108.4	L94 F95 L96 S97 L105 L136 M137	L94-I122 HydrophobicContact CD1-CD1 4.33Å; F95-I122 PolarHBondContact O-N 3.02Å; L96-I122 HydrophobicContact CD2-CB 3.77Å; L96-I122 HydrophobicContact CD2-CD1 3.87Å; L96-I122 HydrophobicContact CD2-CG1 4.3Å; L96-I122 HydrophobicContact CD2-CG2 4.22Å; S97-I122 PolarHBondContact N-O 3.31Å; L105-I122 CarbonylContact O-C 3.56Å; L105-I122 WeakPolarHBondContact O-CA 3.42Å; I122-L136 HydrophobicContact CD1-CB 4.44Å; I122-L136 HydrophobicContact CG2-CB 3.87Å; I122-L136 HydrophobicContact CG2-CD1 3.82Å; I122-L136 HydrophobicContact CG2-CG 4.49Å; I122-M137 HydrophobicContact CD1-CB 4.04Å; I122-M137 HydrophobicContact CD1-CG 3.35Å
123	G	88.5	Confident	89.9	Confident	2 Å²	2	45.3 Å²	45.3	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	124.6	175.8	0	0	0	0	0	112.2	S97 L105	S97-G123 CarbonylContact O-C 3.44Å; S97-G123 VanDerWaalsContact O-CA 3.3Å; S97-G123 WeakPolarHBondContact O-CA 3.32Å; L105-G123 PolarHBondContact O-N 3.32Å
124	M	86.4	Confident	89.9	Confident	1 Å²	1	45 Å²	45	1%	0.005	23%	0.225	C	C	.	.			trans	-104.4	92	173.9	-58.4	174.8	76.9	0	0	108.4	A18 L21 L22 Y32 L96 S97 A98 E126 I128	A18-M124 HydrophobicContact CB-SD 3.96Å; L21-M124 HydrophobicContact CD2-CB 3.92Å; L21-M124 VanDerWaalsContact CD2-O 3.28Å; L21-M124 WeakPolarHBondContact CD2-O 3.3Å; L22-M124 HydrophobicContact CD2-CE 3.96Å; L22-M124 HydrophobicContact CG-CE 4.4Å; Y32-M124 HydrophobicContact CE1-CE 4.36Å; L96-M124 HydrophobicContact CB-SD 4.06Å; S97-M124 PolarHBondContact O-N 2.69Å; A98-M124 WeakPolarHBondContact CA-O 3.3Å; M124-E126 PolarHBondContact O-N 3.03Å; M124-I128 HydrophobicContact CE-CD1 4.25Å; M124-I128 HydrophobicContact CE-CG1 3.77Å; M124-I128 HydrophobicContact CG-CD1 4.12Å; M124-I128 HydrophobicContact CG-CG1 4.5Å
125	A	79.5	Confident	89.9	Confident	60 Å²	60	44.1 Å²	44.1	50%	0.496	22%	0.219	S	C	.	.	S	Bend	trans	-66.8	-27.1	176.9	0	0	0	0	0	112.3
126	E	85.6	Confident	90.1	Very high	137 Å²	137	42.8 Å²	42.8	64%	0.64	21%	0.209	S	C	*	.	S	Bend	trans	-147.6	177.5	176.8	64.2	-177.1	169	0	0	110.5	M124 I128	M124-E126 PolarHBondContact O-N 3.03Å; E126-I128 HydrophobicContact CG-CG2 4.46Å; E126-I128 PolarHBondContact O-N 2.91Å
127	K	88.7	Confident	90.6	Very high	120 Å²	120	35.4 Å²	35.4	52%	0.522	18%	0.175	S	C	.	.			trans	-69.3	104.5	175	179.9	168.7	-176.9	165.4	0	109.8	L22	L22-K127 HydrophobicContact CD2-CG 4.1Å; L22-K127 PolarHBondContact O-NZ 3.31Å
128	I	88.5	Confident	90.8	Very high	16 Å²	16	28.4 Å²	28.4	8%	0.082	15%	0.148	C	C	.	.			trans	-91.4	149.7	176.9	62.6	178.2	0	0	0	111.6	Y32 M124 E126 H132 C133 L136	Y32-I128 WeakPolarHBondContact CE2-O 3.37Å; Y32-I128 WeakPolarHBondContact OH-CG1 3.46Å; Y32-I128 PolarHBondContact OH-O 2.77Å; M124-I128 HydrophobicContact CE-CD1 4.25Å; M124-I128 HydrophobicContact CE-CG1 3.77Å; M124-I128 HydrophobicContact CG-CD1 4.12Å; M124-I128 HydrophobicContact CG-CG1 4.5Å; E126-I128 HydrophobicContact CG-CG2 4.46Å; E126-I128 PolarHBondContact O-N 2.91Å; I128-H132 HydrophobicContact CB-CB 4.27Å; I128-C133 HydrophobicContact CD1-CB 3.71Å; I128-C133 HydrophobicContact CG1-CB 4.14Å; I128-L136 HydrophobicContact CD1-CD1 3.94Å
129	S	91.5	Very high	90.7	Very high	64 Å²	64	28.8 Å²	28.8	45%	0.448	15%	0.15	S	C	.	.			trans	-68.7	155.8	174.6	69.2	0	0	0	0	111.4	Y131 H132 C133	S129-Y131 PolarHBondContact O-N 3.27Å; S129-H132 PolarHBondContact O-N 3.19Å; S129-H132 VanDerWaalsContact O-N 3.08Å; S129-H132 PolarHBondContact OG-N 3.35Å; S129-C133 PolarHBondContact O-N 2.86Å
130	P	93.5	Very high	90.6	Very high	29 Å²	29	28.8 Å²	28.8	19%	0.188	15%	0.15	C	C	.	.	H	α-helix	trans	-55.5	-36.9	176.3	-26.5	33.8	0	0	0	113.5	Y32 E35 C36 C133 S134	Y32-P130 HydrophobicContact CD2-CG 3.79Å; Y32-P130 HydrophobicContact CE2-CG 3.78Å; E35-P130 HydrophobicContact CB-CB 3.85Å; E35-P130 HydrophobicContact CB-CG 4.15Å; E35-P130 WeakPolarHBondContact OE2-CG 3.49Å; C36-P130 VanDerWaalsContact SG-CA 3.59Å; P130-C133 PolarHBondContact O-N 2.92Å; P130-S134 WeakPolarHBondContact O-CB 3.46Å; P130-S134 PolarHBondContact O-N 2.87Å
131	Y	91.3	Very high	90.7	Very high	99 Å²	99	28.8 Å²	28.8	39%	0.388	15%	0.15	S	C	.	.	H	α-helix	trans	-63.7	-47.9	174.6	-179.5	-102.2	0	0	0	112	V43 S129 C133 S134 V135	V43-Y131 HydrophobicContact CG1-CE2 3.87Å; S129-Y131 PolarHBondContact O-N 3.27Å; Y131-C133 VanDerWaalsContact C-N 3.34Å; Y131-C133 PolarHBondContact O-N 2.88Å; Y131-S134 WeakPolarHBondContact O-CB 3.31Å; Y131-S134 PolarHBondContact O-N 3.3Å; Y131-S134 VanDerWaalsContact O-N 3.15Å; Y131-S134 PolarHBondContact O-OG 2.67Å; Y131-V135 HydrophobicContact CE1-CG2 4.27Å; Y131-V135 PolarHBondContact O-N 2.95Å; Y131-V135 VanDerWaalsContact O-N 3.15Å
132	H	88.9	Confident	90.7	Very high	60 Å²	60	28.8 Å²	28.8	28%	0.278	15%	0.15	S	C	.	.	H	α-helix	trans	-61.2	-44.7	176.9	-170.1	130	0	0	0	110.9	I128 S129 S134 V135 L136	I128-H132 HydrophobicContact CB-CB 4.27Å; S129-H132 PolarHBondContact O-N 3.19Å; S129-H132 VanDerWaalsContact O-N 3.08Å; S129-H132 PolarHBondContact OG-N 3.35Å; H132-S134 VanDerWaalsContact C-N 3.26Å; H132-S134 PolarHBondContact O-N 2.87Å; H132-V135 PolarHBondContact O-N 2.96Å; H132-V135 VanDerWaalsContact O-N 3.13Å; H132-L136 PolarHBondContact O-N 3.32Å
133	C	92.2	Very high	90.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.2	-42.7	175.1	-170.8	0	0	0	0	111.3	C36 I128 S129 P130 Y131 V135 L136 M137	C36-C133 HydrophobicContact CB-CB 4.3Å; C36-C133 VanDerWaalsContact SG-CB 3.57Å; I128-C133 HydrophobicContact CD1-CB 3.71Å; I128-C133 HydrophobicContact CG1-CB 4.14Å; S129-C133 PolarHBondContact O-N 2.86Å; P130-C133 PolarHBondContact O-N 2.92Å; Y131-C133 VanDerWaalsContact C-N 3.34Å; Y131-C133 PolarHBondContact O-N 2.88Å; C133-V135 VanDerWaalsContact C-N 3.32Å; C133-V135 PolarHBondContact O-N 3.49Å; C133-L136 PolarHBondContact O-N 2.87Å; C133-M137 WeakPolarHBondContact O-CG 3.42Å; C133-M137 PolarHBondContact O-N 2.9Å
134	S	93.3	Very high	90.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.7	-35	177.8	78	0	0	0	0	114	C36 A39 P130 Y131 H132 M137 A138	C36-S134 VanDerWaalsContact O-CB 3.3Å; C36-S134 WeakPolarHBondContact O-CB 3.31Å; A39-S134 WeakPolarHBondContact CB-OG 3.37Å; P130-S134 WeakPolarHBondContact O-CB 3.46Å; P130-S134 PolarHBondContact O-N 2.87Å; Y131-S134 WeakPolarHBondContact O-CB 3.31Å; Y131-S134 PolarHBondContact O-N 3.3Å; Y131-S134 VanDerWaalsContact O-N 3.15Å; Y131-S134 PolarHBondContact O-OG 2.67Å; H132-S134 VanDerWaalsContact C-N 3.26Å; H132-S134 PolarHBondContact O-N 2.87Å; S134-M137 PolarHBondContact O-N 3.27Å; S134-A138 WeakPolarHBondContact O-CB 3.4Å; S134-A138 PolarHBondContact O-N 3.22Å
135	V	90.6	Very high	91.3	Very high	6 Å²	6	31 Å²	31	4%	0.036	16%	0.16	C	C	.	.	H	α-helix	trans	-68.2	-42.7	175.5	175	0	0	0	0	110.7	Y131 H132 C133 M137 A138 H139 Y168 Y175	Y131-V135 HydrophobicContact CE1-CG2 4.27Å; Y131-V135 PolarHBondContact O-N 2.95Å; Y131-V135 VanDerWaalsContact O-N 3.15Å; H132-V135 PolarHBondContact O-N 2.96Å; H132-V135 VanDerWaalsContact O-N 3.13Å; C133-V135 VanDerWaalsContact C-N 3.32Å; C133-V135 PolarHBondContact O-N 3.49Å; V135-M137 VanDerWaalsContact C-N 3.33Å; V135-M137 PolarHBondContact O-N 2.93Å; V135-A138 PolarHBondContact O-N 3.48Å; V135-H139 WeakPolarHBondContact O-CB 3.28Å; V135-H139 PolarHBondContact O-N 3.38Å; V135-Y168 HydrophobicContact CG1-CD1 3.7Å; V135-Y168 HydrophobicContact CG1-CE1 3.97Å; V135-Y175 HydrophobicContact CG1-CD2 4.01Å; V135-Y175 HydrophobicContact CG1-CG 4.19Å; V135-Y175 HydrophobicContact CG2-CD2 4Å
136	L	90.9	Very high	91.7	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-38.7	173.9	-64.5	176.8	0	0	0	111.8	L105 I122 I128 H132 C133 H139 T140	L105-L136 HydrophobicContact CB-CD1 4.45Å; L105-L136 HydrophobicContact CB-CD2 4.13Å; L105-L136 HydrophobicContact CD1-CD2 4.3Å; I122-L136 HydrophobicContact CD1-CB 4.44Å; I122-L136 HydrophobicContact CG2-CB 3.87Å; I122-L136 HydrophobicContact CG2-CD1 3.82Å; I122-L136 HydrophobicContact CG2-CG 4.49Å; I128-L136 HydrophobicContact CD1-CD1 3.94Å; H132-L136 PolarHBondContact O-N 3.32Å; C133-L136 PolarHBondContact O-N 2.87Å; L136-H139 PolarHBondContact O-N 3.49Å; L136-T140 WeakPolarHBondContact O-CB 3.37Å; L136-T140 PolarHBondContact O-N 3.48Å; L136-T140 PolarHBondContact O-OG1 3.4Å
137	M	94.9	Very high	91.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64	-43.3	174	-65.9	166.6	80.3	0	0	111.3	L10 L12 C36 V37 L40 L94 I122 C133 S134 V135 T140 L141	L10-M137 HydrophobicContact CD2-CE 3.65Å; L12-M137 HydrophobicContact CD1-CE 3.89Å; L12-M137 HydrophobicContact CD2-CE 4.03Å; C36-M137 HydrophobicContact CB-SD 3.81Å; V37-M137 HydrophobicContact CG2-CE 4Å; L40-M137 HydrophobicContact CD1-CB 4.02Å; L40-M137 HydrophobicContact CD2-CB 3.96Å; L40-M137 HydrophobicContact CD2-CE 3.78Å; L40-M137 HydrophobicContact CD2-SD 4.47Å; L40-M137 HydrophobicContact CG-CB 4.49Å; L94-M137 HydrophobicContact CD1-CB 3.82Å; L94-M137 HydrophobicContact CD1-CE 3.94Å; L94-M137 HydrophobicContact CD1-CG 3.86Å; I122-M137 HydrophobicContact CD1-CB 4.04Å; I122-M137 HydrophobicContact CD1-CG 3.35Å; C133-M137 WeakPolarHBondContact O-CG 3.42Å; C133-M137 PolarHBondContact O-N 2.9Å; S134-M137 PolarHBondContact O-N 3.27Å; V135-M137 VanDerWaalsContact C-N 3.33Å; V135-M137 PolarHBondContact O-N 2.93Å; M137-T140 PolarHBondContact O-N 3.23Å; M137-L141 WeakPolarHBondContact O-CB 3.31Å; M137-L141 WeakPolarHBondContact O-CG 3.34Å; M137-L141 PolarHBondContact O-N 2.84Å
138	A	94.1	Very high	91.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.3	-43.9	177.5	0	0	0	0	0	111.3	L40 V43 S134 V135 T140 L141 G142 I163 F177	L40-A138 HydrophobicContact CD1-CB 3.66Å; V43-A138 HydrophobicContact CG2-CB 3.91Å; S134-A138 WeakPolarHBondContact O-CB 3.4Å; S134-A138 PolarHBondContact O-N 3.22Å; V135-A138 PolarHBondContact O-N 3.48Å; A138-T140 PolarHBondContact O-N 2.93Å; A138-L141 PolarHBondContact O-N 2.88Å; A138-G142 PolarHBondContact O-N 3.47Å; A138-I163 HydrophobicContact CB-CD1 4.36Å; A138-I163 HydrophobicContact CB-CG2 3.71Å; A138-F177 HydrophobicContact CB-CE2 4.49Å; A138-F177 HydrophobicContact CB-CZ 4.19Å; A138-F177 WeakPolarHBondContact O-CZ 3.46Å
139	H	91.4	Very high	90.4	Very high	8 Å²	8	19 Å²	19	4%	0.037	11%	0.11	C	C	.	.	H	α-helix	trans	-57.4	-49.1	173.2	179.4	84.2	0	0	0	111.8	S106 V135 L136 L141 G142 H143 I163 Y168	S106-H139 PolarHBondContact OG-CD2 2.91Å; S106-H139 VanDerWaalsContact OG-CD2 3.27Å; V135-H139 WeakPolarHBondContact O-CB 3.28Å; V135-H139 PolarHBondContact O-N 3.38Å; L136-H139 PolarHBondContact O-N 3.49Å; H139-L141 PolarHBondContact O-N 3.37Å; H139-G142 PolarHBondContact O-N 3.15Å; H139-H143 AromaticContact CD2-CD2 3.97Å; H139-H143 AromaticContact CE1-NE2 3.63Å; H139-H143 AromaticContact NE2-CD2 3.59Å; H139-H143 AromaticContact NE2-NE2 3.35Å; H139-H143 PolarHBondContact NE2-NE2 2.72Å; H139-H143 PolarHBondContact O-N 3.21Å; H139-I163 HydrophobicContact CB-CG2 4.3Å; H139-I163 WeakPolarHBondContact CB-O 3.27Å; H139-I163 PolarHBondContact ND1-O 3.15Å; H139-Y168 PolarHBondContact CE1-OH 2.9Å; H139-Y168 AromaticContact ND1-CE2 3.71Å; H139-Y168 AromaticContact ND1-CZ 3.41Å; H139-Y168 PolarHBondContact ND1-OH 3Å
140	T	93.3	Very high	88.7	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.9	-45.1	-178.6	-52.4	0	0	0	0	111.4	L94 S106 S108 L136 M137 A138 G142 H143 M144	L94-T140 HydrophobicContact CD2-CG2 3.56Å; S106-T140 WeakPolarHBondContact CB-OG1 3.3Å; S108-T140 PolarHBondContact OG-O 3.31Å; L136-T140 WeakPolarHBondContact O-CB 3.37Å; L136-T140 PolarHBondContact O-N 3.48Å; L136-T140 PolarHBondContact O-OG1 3.4Å; M137-T140 PolarHBondContact O-N 3.23Å; A138-T140 PolarHBondContact O-N 2.93Å; T140-G142 VanDerWaalsContact C-N 3.33Å; T140-H143 PolarHBondContact O-N 3.5Å; T140-M144 HydrophobicContact CG2-SD 4.34Å; T140-M144 VanDerWaalsContact O-CG 3.29Å; T140-M144 WeakPolarHBondContact O-CG 3.37Å; T140-M144 PolarHBondContact O-N 3.1Å
141	L	95.6	Very high	86.7	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-67.3	-33.6	175.3	-73.3	173.2	0	0	0	112.1	L8 L40 A92 L94 M137 A138 H139 H143 M144 M145	L8-L141 HydrophobicContact CD1-CD2 4.23Å; L8-L141 HydrophobicContact CD2-CD1 4.45Å; L8-L141 HydrophobicContact CD2-CD2 4.47Å; L40-L141 HydrophobicContact CD1-CD1 4.25Å; L40-L141 HydrophobicContact CD2-CD1 3.72Å; L40-L141 HydrophobicContact CG-CD1 4.47Å; A92-L141 HydrophobicContact CB-CD2 3.83Å; L94-L141 HydrophobicContact CD1-CD1 4.33Å; L94-L141 HydrophobicContact CD1-CD2 4.43Å; L94-L141 HydrophobicContact CD1-CG 4.11Å; M137-L141 WeakPolarHBondContact O-CB 3.31Å; M137-L141 WeakPolarHBondContact O-CG 3.34Å; M137-L141 PolarHBondContact O-N 2.84Å; A138-L141 PolarHBondContact O-N 2.88Å; H139-L141 PolarHBondContact O-N 3.37Å; L141-H143 VanDerWaalsContact C-N 3.34Å; L141-H143 PolarHBondContact O-N 2.86Å; L141-M144 HydrophobicContact CD2-CE 4.4Å; L141-M144 HydrophobicContact CD2-SD 3.99Å; L141-M144 CarbonylContact O-C 3.38Å; L141-M144 PolarHBondContact O-N 3.19Å; L141-M144 VanDerWaalsContact O-N 3.1Å; L141-M145 HydrophobicContact CB-CE 4.07Å; L141-M145 WeakPolarHBondContact O-CB 3.17Å; L141-M145 VanDerWaalsContact O-CG 3.29Å; L141-M145 WeakPolarHBondContact O-CG 3.43Å; L141-M145 PolarHBondContact O-N 3.02Å
142	G	93.6	Very high	84.5	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-54.9	-50.7	173.9	0	0	0	0	0	111	A138 H139 T140 M144 M145 G146 M147	A138-G142 PolarHBondContact O-N 3.47Å; H139-G142 PolarHBondContact O-N 3.15Å; T140-G142 VanDerWaalsContact C-N 3.33Å; G142-M144 VanDerWaalsContact C-N 3.33Å; G142-M144 PolarHBondContact O-N 3.15Å; G142-M145 CarbonylContact O-C 3.55Å; G142-M145 PolarHBondContact O-N 3.4Å; G142-M145 VanDerWaalsContact O-N 3.14Å; G142-G146 PolarHBondContact O-N 2.91Å; G142-G146 VanDerWaalsContact O-N 3.17Å; G142-M147 VanDerWaalsContact O-CB 3.31Å; G142-M147 WeakPolarHBondContact O-CB 3.47Å; G142-M147 WeakPolarHBondContact O-CG 3.29Å; G142-M147 PolarHBondContact O-N 3.48Å
143	H	91.4	Very high	82.4	Confident	46 Å²	46	27.7 Å²	27.7	21%	0.213	16%	0.156	C	C	.	.	H	α-helix	trans	-59.1	-41.3	173	-77.1	-47.3	0	0	0	113.1	S108 A110 H111 H139 T140 L141 M145 G146 M147 S148 M164	S108-H143 WeakPolarHBondContact OG-CB 3.46Å; A110-H143 WeakPolarHBondContact CA-O 3.45Å; H111-H143 PolarHBondContact N-O 3.43Å; H111-H143 VanDerWaalsContact N-O 3.08Å; H139-H143 AromaticContact CD2-CD2 3.97Å; H139-H143 AromaticContact CE1-NE2 3.63Å; H139-H143 AromaticContact NE2-CD2 3.59Å; H139-H143 AromaticContact NE2-NE2 3.35Å; H139-H143 PolarHBondContact NE2-NE2 2.72Å; H139-H143 PolarHBondContact O-N 3.21Å; T140-H143 PolarHBondContact O-N 3.5Å; L141-H143 VanDerWaalsContact C-N 3.34Å; L141-H143 PolarHBondContact O-N 2.86Å; H143-M145 VanDerWaalsContact C-N 3.27Å; H143-M145 PolarHBondContact O-N 2.61Å; H143-G146 PolarHBondContact O-N 3.41Å; H143-M147 WeakPolarHBondContact CA-O 3.33Å; H143-M147 PolarHBondContact ND1-O 2.81Å; H143-S148 PolarHBondContact CE1-O 2.99Å; H143-M164 WeakPolarHBondContact CE1-CE 3.12Å; H143-M164 WeakPolarHBondContact ND1-CE 3.35Å
144	M	94.6	Very high	79.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68.1	-27.3	178	-60.5	168.6	62.8	0	0	112.7	A92 L94 A109 H111 S112 V113 A118 T140 L141 G142 G146	A92-M144 HydrophobicContact CB-CE 3.66Å; L94-M144 HydrophobicContact CD2-SD 4.03Å; A109-M144 WeakPolarHBondContact O-CG 3.43Å; H111-M144 CarbonylContact C-O 3.49Å; H111-M144 VanDerWaalsContact C-O 3.24Å; H111-M144 WeakPolarHBondContact CA-O 3.47Å; H111-M144 PolarHBondContact N-O 3.29Å; S112-M144 PolarHBondContact N-O 3.23Å; V113-M144 HydrophobicContact CG2-CB 3.69Å; V113-M144 HydrophobicContact CG2-CE 4.44Å; V113-M144 PolarHBondContact N-O 2.88Å; A118-M144 HydrophobicContact CB-CE 4.29Å; A118-M144 WeakPolarHBondContact O-CE 3.4Å; T140-M144 HydrophobicContact CG2-SD 4.34Å; T140-M144 VanDerWaalsContact O-CG 3.29Å; T140-M144 WeakPolarHBondContact O-CG 3.37Å; T140-M144 PolarHBondContact O-N 3.1Å; L141-M144 HydrophobicContact CD2-CE 4.4Å; L141-M144 HydrophobicContact CD2-SD 3.99Å; L141-M144 CarbonylContact O-C 3.38Å; L141-M144 PolarHBondContact O-N 3.19Å; L141-M144 VanDerWaalsContact O-N 3.1Å; G142-M144 VanDerWaalsContact C-N 3.33Å; G142-M144 PolarHBondContact O-N 3.15Å; M144-G146 VanDerWaalsContact C-N 3.33Å
145	M	93.9	Very high	77.8	Confident	2 Å²	2	44 Å²	44	1%	0.01	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	12.5	176.4	-67.1	-174.8	-63.2	0	0	113.2	L8 I46 V48 V113 L141 G142 H143 F185 W188	L8-M145 HydrophobicContact CD1-SD 4.24Å; I46-M145 HydrophobicContact CD1-CE 3.67Å; I46-M145 HydrophobicContact CD1-SD 4.31Å; V48-M145 HydrophobicContact CG2-SD 4.47Å; V113-M145 HydrophobicContact CG2-CG 3.78Å; L141-M145 HydrophobicContact CB-CE 4.07Å; L141-M145 WeakPolarHBondContact O-CB 3.17Å; L141-M145 VanDerWaalsContact O-CG 3.29Å; L141-M145 WeakPolarHBondContact O-CG 3.43Å; L141-M145 PolarHBondContact O-N 3.02Å; G142-M145 CarbonylContact O-C 3.55Å; G142-M145 PolarHBondContact O-N 3.4Å; G142-M145 VanDerWaalsContact O-N 3.14Å; H143-M145 VanDerWaalsContact C-N 3.27Å; H143-M145 PolarHBondContact O-N 2.61Å; M145-F185 HydrophobicContact CB-CD2 3.94Å; M145-F185 HydrophobicContact CB-CE2 4.21Å; M145-F185 HydrophobicContact CG-CE2 4.45Å; M145-F185 HydrophobicContact SD-CD2 4.46Å; M145-F185 HydrophobicContact SD-CE2 3.99Å; M145-W188 HydrophobicContact CB-CE3 4.44Å; M145-W188 HydrophobicContact CB-CZ3 4.3Å; M145-W188 HydrophobicContact CG-CZ3 4.49Å; M145-W188 VanDerWaalsContact O-CD2 3.26Å; M145-W188 VanDerWaalsContact O-CE3 3.25Å
146	G	89	Confident	75.4	Confident	7 Å²	7	52.5 Å²	52.5	7%	0.072	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	20.1	172.3	0	0	0	0	0	116.8	H111 G142 H143 M144	H111-G146 WeakPolarHBondContact CD2-CA 3.48Å; H111-G146 VanDerWaalsContact NE2-CA 3.28Å; H111-G146 WeakPolarHBondContact NE2-CA 3.38Å; G142-G146 PolarHBondContact O-N 2.91Å; G142-G146 VanDerWaalsContact O-N 3.17Å; H143-G146 PolarHBondContact O-N 3.41Å; M144-G146 VanDerWaalsContact C-N 3.33Å
147	M	89.2	Confident	73.1	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	31%	0.307	C	S	.	.			trans	-88	123.6	170.4	-52.3	175.1	178.4	0	0	109.3	I46 G142 H143 M164 F177 S181 E184 F185	I46-M147 HydrophobicContact CD1-CE 3.49Å; I46-M147 VanDerWaalsContact CD1-CE 3.49Å; I46-M147 HydrophobicContact CG2-CE 4.33Å; G142-M147 VanDerWaalsContact O-CB 3.31Å; G142-M147 WeakPolarHBondContact O-CB 3.47Å; G142-M147 WeakPolarHBondContact O-CG 3.29Å; G142-M147 PolarHBondContact O-N 3.48Å; H143-M147 WeakPolarHBondContact CA-O 3.33Å; H143-M147 PolarHBondContact ND1-O 2.81Å; M147-M164 HydrophobicContact CB-CE 3.93Å; M147-M164 HydrophobicContact CB-CG 4.08Å; M147-M164 HydrophobicContact CB-SD 4.02Å; M147-M164 WeakPolarHBondContact O-CE 3.25Å; M147-M164 HydrophobicContact SD-CG 4.34Å; M147-M164 HydrophobicContact SD-SD 4.25Å; M147-F177 HydrophobicContact CE-CD1 4.11Å; M147-F177 HydrophobicContact CE-CE1 4.18Å; M147-F177 HydrophobicContact CE-CG 4.33Å; M147-F177 HydrophobicContact CE-CZ 4.46Å; M147-F177 HydrophobicContact SD-CD1 3.41Å; M147-F177 WeakPolarHBondContact SD-CD1 3.39Å; M147-F177 HydrophobicContact SD-CE1 3.35Å; M147-F177 WeakPolarHBondContact SD-CE1 3.34Å; M147-F177 HydrophobicContact SD-CG 4.2Å; M147-F177 HydrophobicContact SD-CZ 4.08Å; M147-S181 WeakPolarHBondContact CG-O 3.35Å; M147-E184 WeakPolarHBondContact CA-OE2 3.44Å; M147-F185 HydrophobicContact CE-CB 3.46Å; M147-F185 VanDerWaalsContact CE-CB 3.46Å; M147-F185 HydrophobicContact CE-CD2 4.37Å; M147-F185 HydrophobicContact CE-CG 3.95Å; M147-F185 HydrophobicContact CG-CB 4.3Å
148	S	77.2	Confident	70.8	Confident	39 Å²	39	65.9 Å²	65.9	27%	0.273	35%	0.351	S	S	.	.			trans	-91.8	-30.2	-177.6	77	0	0	0	0	112.1	H143 T150 E184	H143-S148 PolarHBondContact CE1-O 2.99Å; S148-T150 PolarHBondContact O-N 3.03Å; S148-T150 PolarHBondContact OG-N 2.92Å; S148-T150 PolarHBondContact OG-OG1 3.47Å; S148-E184 WeakPolarHBondContact CB-OE1 3.34Å; S148-E184 PolarHBondContact N-OE2 3.26Å; S148-E184 PolarHBondContact OG-OE1 3.04Å
149	G	68.1	Low	68.6	Low	34 Å²	34	68 Å²	68	35%	0.351	37%	0.369	S	S	.	.	S	Bend	trans	69.5	8.6	-169.7	0	0	0	0	0	114
150	T	56.6	Low	66.7	Low	104 Å²	104	73.2 Å²	73.2	64%	0.638	40%	0.403	S	S	*	.			trans	-101.7	-5.2	-170.8	65.5	0	0	0	0	115.2	S148 Q152	S148-T150 PolarHBondContact O-N 3.03Å; S148-T150 PolarHBondContact OG-N 2.92Å; S148-T150 PolarHBondContact OG-OG1 3.47Å; T150-Q152 PolarHBondContact O-N 3.13Å
151	L	50.8	Low	65.4	Low	81 Å²	81	75.6 Å²	75.6	42%	0.424	42%	0.416	S	S	.	.	S	Bend	trans	-62.9	107.9	170.4	-77.3	165.8	0	0	0	108.3	I153 C180 E184	L151-I153 PolarHBondContact O-N 3.02Å; L151-C180 HydrophobicContact CB-CB 4.17Å; L151-C180 HydrophobicContact CD1-CB 3.94Å; L151-E184 HydrophobicContact CD1-CG 3.97Å
152	Q	44.8	Very low	64.5	Low	187 Å²	187	75.7 Å²	75.7	87%	0.874	42%	0.417	S	S	*	.			trans	-52.1	102.1	-178.8	-70	179.5	3.9	0	0	108.7	T150 D154	T150-Q152 PolarHBondContact O-N 3.13Å; Q152-D154 PolarHBondContact O-N 3.35Å; Q152-D154 VanDerWaalsContact O-N 3.15Å
153	I	44.6	Very low	64.2	Low	62 Å²	62	75.7 Å²	75.7	32%	0.318	42%	0.417	S	S	.	.			trans	-61.9	118.5	160.1	-57.3	174.8	0	0	0	104.2	L151 K155 A159 E165	L151-I153 PolarHBondContact O-N 3.02Å; I153-K155 PolarHBondContact O-N 3.17Å; I153-A159 HydrophobicContact CD1-CB 4.12Å; I153-A159 HydrophobicContact CG2-CB 3.81Å; I153-E165 WeakPolarHBondContact CD1-OE1 2.95Å
154	D	40.7	Very low	63.8	Low	129 Å²	129	73.8 Å²	73.8	69%	0.69	41%	0.409	S	S	*	.			trans	-43.3	111.5	166.9	-82.9	-34.7	0	0	0	107.4	Q152 E156 K157	Q152-D154 PolarHBondContact O-N 3.35Å; Q152-D154 VanDerWaalsContact O-N 3.15Å; D154-E156 PolarHBondContact O-N 3.12Å; D154-K157 PolarHBondContact O-N 3.34Å; D154-K157 VanDerWaalsContact O-N 3.1Å
155	K	47.4	Very low	63	Low	213 Å²	213	76 Å²	76	93%	0.926	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-4.5	-176.3	-69.3	-178.3	177.9	177.2	0	113.2	I153	I153-K155 PolarHBondContact O-N 3.17Å
156	E	42.1	Very low	61.5	Low	186 Å²	186	83.6 Å²	83.6	87%	0.869	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-10.8	-179.7	-66.9	-168.9	153.3	0	0	114.6	D154	D154-E156 PolarHBondContact O-N 3.12Å
157	K	41.9	Very low	60	Low	169 Å²	169	90.2 Å²	90.2	74%	0.735	48%	0.483	S	S	*	.	S	Bend	trans	-118.8	121.2	172.3	-73.6	177.4	-177.1	167.7	0	109.9	D154 A159	D154-K157 PolarHBondContact O-N 3.34Å; D154-K157 VanDerWaalsContact O-N 3.1Å; K157-A159 PolarHBondContact O-N 3.17Å
158	A	46.1	Very low	58.3	Low	113 Å²	113	91.2 Å²	91.2	93%	0.934	49%	0.487	S	S	*	.			trans	-61.9	77.9	169.9	0	0	0	0	0	109.8
159	A	47.4	Very low	57.1	Low	45 Å²	45	96.1 Å²	96.1	37%	0.372	51%	0.506	S	S	.	.			trans	-68.8	141.7	169.8	0	0	0	0	0	108.1	I153 K157 L161	I153-A159 HydrophobicContact CD1-CB 4.12Å; I153-A159 HydrophobicContact CG2-CB 3.81Å; K157-A159 PolarHBondContact O-N 3.17Å; A159-L161 PolarHBondContact O-N 3.1Å
160	P	52.1	Low	56.2	Low	117 Å²	117	102.7 Å²	102.7	76%	0.76	53%	0.527	S	S	*	.			trans	-59.2	129.6	175.2	22.7	-30.3	0	0	0	109.7	G162	P160-G162 PolarHBondContact O-N 3.45Å
161	L	65.6	Low	55.8	Low	51 Å²	51	102.2 Å²	102.2	27%	0.267	52%	0.521	S	S	.	.			trans	-48.7	109.6	178.5	-70.6	162.4	0	0	0	110.3	A159 E165 Q167 Y175	A159-L161 PolarHBondContact O-N 3.1Å; L161-E165 WeakPolarHBondContact CA-OE2 3.44Å; L161-E165 WeakPolarHBondContact CD2-OE2 3.42Å; L161-Q167 HydrophobicContact CD2-CB 4.26Å; L161-Y175 HydrophobicContact CB-CE1 4.49Å
162	G	77	Confident	55.8	Low	3 Å²	3	102.8 Å²	102.8	3%	0.031	55%	0.546	C	S	.	.			trans	-80.7	162.4	-177.7	0	0	0	0	0	114.2	P160 M164 E165 Q176	P160-G162 PolarHBondContact O-N 3.45Å; G162-M164 PolarHBondContact O-N 2.59Å; G162-E165 VanDerWaalsContact N-CD 3.32Å; G162-E165 PolarHBondContact N-OE1 2.63Å; G162-E165 PolarHBondContact O-N 3.43Å; G162-E165 VanDerWaalsContact O-N 3.09Å; G162-Q176 CarbonylContact C-O 3.32Å; G162-Q176 VanDerWaalsContact CA-O 3.25Å; G162-Q176 WeakPolarHBondContact CA-O 3.39Å
163	I	87	Confident	56.6	Low	0 Å²	0	98.1 Å²	98.1	0%	0	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-9	173.4	-66.8	171.9	0	0	0	113.5	V43 A138 H139 Y168 Q176 F177	V43-I163 HydrophobicContact CB-CD1 4.48Å; A138-I163 HydrophobicContact CB-CD1 4.36Å; A138-I163 HydrophobicContact CB-CG2 3.71Å; H139-I163 HydrophobicContact CB-CG2 4.3Å; H139-I163 WeakPolarHBondContact CB-O 3.27Å; H139-I163 PolarHBondContact ND1-O 3.15Å; I163-Y168 PolarHBondContact O-OH 3.36Å; I163-Q176 PolarHBondContact N-O 2.95Å; I163-F177 HydrophobicContact CB-CD1 3.82Å; I163-F177 HydrophobicContact CB-CE1 3.81Å; I163-F177 HydrophobicContact CB-CG 4.25Å; I163-F177 HydrophobicContact CB-CZ 4.25Å; I163-F177 HydrophobicContact CD1-CD2 3.94Å; I163-F177 HydrophobicContact CD1-CE2 4Å; I163-F177 HydrophobicContact CD1-CG 4.28Å; I163-F177 HydrophobicContact CD1-CZ 4.37Å; I163-F177 HydrophobicContact CG2-CD1 4.02Å; I163-F177 HydrophobicContact CG2-CE1 3.45Å; I163-F177 VanDerWaalsContact CG2-CE1 3.45Å; I163-F177 HydrophobicContact CG2-CE2 4.28Å; I163-F177 HydrophobicContact CG2-CZ 3.62Å
164	M	84.6	Confident	57.3	Low	6 Å²	6	100.4 Å²	100.4	3%	0.03	54%	0.544	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-4.5	177.3	-62.8	-52.8	-59.4	0	0	114	H143 M147 G162 Y168 F177 S181	H143-M164 WeakPolarHBondContact CE1-CE 3.12Å; H143-M164 WeakPolarHBondContact ND1-CE 3.35Å; M147-M164 HydrophobicContact CB-CE 3.93Å; M147-M164 HydrophobicContact CB-CG 4.08Å; M147-M164 HydrophobicContact CB-SD 4.02Å; M147-M164 WeakPolarHBondContact O-CE 3.25Å; M147-M164 HydrophobicContact SD-CG 4.34Å; M147-M164 HydrophobicContact SD-SD 4.25Å; G162-M164 PolarHBondContact O-N 2.59Å; M164-Y168 WeakPolarHBondContact CA-OH 3.48Å; M164-Y168 PolarHBondContact N-OH 3.21Å; M164-F177 HydrophobicContact CG-CD1 3.96Å; M164-F177 HydrophobicContact CG-CE1 4.04Å; M164-F177 HydrophobicContact SD-CD1 4.24Å; M164-F177 HydrophobicContact SD-CE1 3.69Å; M164-S181 VanDerWaalsContact CG-OG 3.28Å; M164-S181 WeakPolarHBondContact CG-OG 3.28Å
165	E	76	Confident	58.8	Low	46 Å²	46	95.2 Å²	95.2	22%	0.215	52%	0.515	C	S	.	.	S	Bend	trans	-88.6	141.3	-176.3	-70.1	170.9	-140.5	0	0	112.5	I153 L161 G162 Q167 Y168	I153-E165 WeakPolarHBondContact CD1-OE1 2.95Å; L161-E165 WeakPolarHBondContact CA-OE2 3.44Å; L161-E165 WeakPolarHBondContact CD2-OE2 3.42Å; G162-E165 VanDerWaalsContact N-CD 3.32Å; G162-E165 PolarHBondContact N-OE1 2.63Å; G162-E165 PolarHBondContact O-N 3.43Å; G162-E165 VanDerWaalsContact O-N 3.09Å; E165-Q167 PolarHBondContact O-N 2.94Å; E165-Y168 PolarHBondContact N-OH 2.86Å; E165-Y168 WeakPolarHBondContact O-CE2 3.29Å; E165-Y168 PolarHBondContact O-OH 3.07Å
166	H	62.1	Low	60.5	Low	162 Å²	162	89.4 Å²	89.4	75%	0.75	49%	0.491	S	S	*	.	S	Bend	trans	-67.1	5	-172.2	-70.8	-64.2	0	0	0	116.7
167	Q	57.8	Low	62.5	Low	146 Å²	146	80.8 Å²	80.8	68%	0.682	45%	0.451	S	S	*	.			trans	-113.8	69.9	-174.3	-64.5	-167.1	-16.7	0	0	112.4	L161 E165	L161-Q167 HydrophobicContact CD2-CB 4.26Å; E165-Q167 PolarHBondContact O-N 2.94Å
168	Y	55	Low	64.5	Low	23 Å²	23	74.1 Å²	74.1	9%	0.09	43%	0.425	C	S	.	.			trans	-82.3	-15	175	-60.6	-72.4	0	0	0	114	V135 H139 I163 M164 E165 Q170 Y175	V135-Y168 HydrophobicContact CG1-CD1 3.7Å; V135-Y168 HydrophobicContact CG1-CE1 3.97Å; H139-Y168 PolarHBondContact CE1-OH 2.9Å; H139-Y168 AromaticContact ND1-CE2 3.71Å; H139-Y168 AromaticContact ND1-CZ 3.41Å; H139-Y168 PolarHBondContact ND1-OH 3Å; I163-Y168 PolarHBondContact O-OH 3.36Å; M164-Y168 WeakPolarHBondContact CA-OH 3.48Å; M164-Y168 PolarHBondContact N-OH 3.21Å; E165-Y168 PolarHBondContact N-OH 2.86Å; E165-Y168 WeakPolarHBondContact O-CE2 3.29Å; E165-Y168 PolarHBondContact O-OH 3.07Å; Y168-Q170 PolarHBondContact O-N 3.1Å; Y168-Y175 HydrophobicContact CD1-CD1 4.4Å; Y168-Y175 HydrophobicContact CD1-CE1 4.32Å; Y168-Y175 PolarHBondContact O-OH 3.39Å
169	E	51	Low	66.3	Low	142 Å²	142	74.3 Å²	74.3	66%	0.664	41%	0.411	S	S	*	.	S	Bend	trans	-87	-1.8	-155.1	-76	-168.6	165.4	0	0	116.5
170	Q	49.6	Very low	68.1	Low	172 Å²	172	74.3 Å²	74.3	80%	0.804	41%	0.407	S	S	*	.	S	Bend	trans	-134.2	-9.3	-165.8	-65.6	-151.9	-8.7	0	0	119.6	Y168	Y168-Q170 PolarHBondContact O-N 3.1Å
171	N	48.2	Very low	69.7	Low	93 Å²	93	68.8 Å²	68.8	50%	0.497	37%	0.372	S	S	.	.			trans	-134.9	127.9	-179.3	-76.6	-40.1	0	0	0	110.9	N173 Y175	N171-N173 PolarHBondContact O-N 3.4Å; N171-Y175 PolarHBondContact O-OH 3.44Å
172	G	50.6	Low	70.8	Confident	93 Å²	93	69.4 Å²	69.4	96%	0.959	37%	0.372	S	S	*	.			trans	-66.7	40.8	175.5	0	0	0	0	0	114.1
173	N	61.2	Low	71.3	Confident	90 Å²	90	74.7 Å²	74.7	48%	0.481	40%	0.396	S	S	.	.			trans	-83.8	148.9	177.7	-68.4	-20.1	0	0	0	109.8	N171 Y175	N171-N173 PolarHBondContact O-N 3.4Å; N173-Y175 VanDerWaalsContact O-CD2 3.3Å; N173-Y175 WeakPolarHBondContact O-CD2 3.32Å; N173-Y175 WeakPolarHBondContact O-CE2 3.3Å; N173-Y175 PolarHBondContact O-N 3.21Å
174	V	58.9	Low	71.3	Confident	110 Å²	110	76.2 Å²	76.2	67%	0.667	40%	0.403	S	S	*	.			trans	-71	114.8	171.4	178.5	0	0	0	0	108
175	Y	72.5	Confident	71.6	Confident	19 Å²	19	76 Å²	76	8%	0.075	40%	0.402	C	S	.	.			trans	-81.3	130.7	177	-58.7	-80.1	0	0	0	110.1	V135 L161 Y168 N171 N173	V135-Y175 HydrophobicContact CG1-CD2 4.01Å; V135-Y175 HydrophobicContact CG1-CG 4.19Å; V135-Y175 HydrophobicContact CG2-CD2 4Å; L161-Y175 HydrophobicContact CB-CE1 4.49Å; Y168-Y175 HydrophobicContact CD1-CD1 4.4Å; Y168-Y175 HydrophobicContact CD1-CE1 4.32Å; Y168-Y175 PolarHBondContact O-OH 3.39Å; N171-Y175 PolarHBondContact O-OH 3.44Å; N173-Y175 VanDerWaalsContact O-CD2 3.3Å; N173-Y175 WeakPolarHBondContact O-CD2 3.32Å; N173-Y175 WeakPolarHBondContact O-CE2 3.3Å; N173-Y175 PolarHBondContact O-N 3.21Å
176	Q	83	Confident	72.2	Confident	92 Å²	92	76.7 Å²	76.7	43%	0.43	41%	0.407	S	S	.	.			trans	-127.2	155.2	171.5	-67.9	-177.6	-8.3	0	0	109.1	Q45 G162 I163 S178	Q45-Q176 VanDerWaalsContact OE1-NE2 3.11Å; G162-Q176 CarbonylContact C-O 3.32Å; G162-Q176 VanDerWaalsContact CA-O 3.25Å; G162-Q176 WeakPolarHBondContact CA-O 3.39Å; I163-Q176 PolarHBondContact N-O 2.95Å; Q176-S178 PolarHBondContact O-N 3.18Å
177	F	85.3	Confident	73.3	Confident	5 Å²	5	72.5 Å²	72.5	2%	0.022	40%	0.396	C	S	.	.			trans	-63.7	134.3	167.2	-72.3	-72.3	0	0	0	109.9	T44 I46 A138 M147 I163 M164 K182	T44-F177 HydrophobicContact CG2-CE2 4.43Å; I46-F177 HydrophobicContact CD1-CE2 4.38Å; I46-F177 HydrophobicContact CG2-CB 4.1Å; I46-F177 HydrophobicContact CG2-CD2 3.63Å; I46-F177 HydrophobicContact CG2-CE2 4.37Å; I46-F177 HydrophobicContact CG2-CG 4.1Å; A138-F177 HydrophobicContact CB-CE2 4.49Å; A138-F177 HydrophobicContact CB-CZ 4.19Å; A138-F177 WeakPolarHBondContact O-CZ 3.46Å; M147-F177 HydrophobicContact CE-CD1 4.11Å; M147-F177 HydrophobicContact CE-CE1 4.18Å; M147-F177 HydrophobicContact CE-CG 4.33Å; M147-F177 HydrophobicContact CE-CZ 4.46Å; M147-F177 HydrophobicContact SD-CD1 3.41Å; M147-F177 WeakPolarHBondContact SD-CD1 3.39Å; M147-F177 HydrophobicContact SD-CE1 3.35Å; M147-F177 WeakPolarHBondContact SD-CE1 3.34Å; M147-F177 HydrophobicContact SD-CG 4.2Å; M147-F177 HydrophobicContact SD-CZ 4.08Å; I163-F177 HydrophobicContact CB-CD1 3.82Å; I163-F177 HydrophobicContact CB-CE1 3.81Å; I163-F177 HydrophobicContact CB-CG 4.25Å; I163-F177 HydrophobicContact CB-CZ 4.25Å; I163-F177 HydrophobicContact CD1-CD2 3.94Å; I163-F177 HydrophobicContact CD1-CE2 4Å; I163-F177 HydrophobicContact CD1-CG 4.28Å; I163-F177 HydrophobicContact CD1-CZ 4.37Å; I163-F177 HydrophobicContact CG2-CD1 4.02Å; I163-F177 HydrophobicContact CG2-CE1 3.45Å; I163-F177 VanDerWaalsContact CG2-CE1 3.45Å; I163-F177 HydrophobicContact CG2-CE2 4.28Å; I163-F177 HydrophobicContact CG2-CZ 3.62Å; M164-F177 HydrophobicContact CG-CD1 3.96Å; M164-F177 HydrophobicContact CG-CE1 4.04Å; M164-F177 HydrophobicContact SD-CD1 4.24Å; M164-F177 HydrophobicContact SD-CE1 3.69Å; F177-K182 HydrophobicContact CB-CG 4.33Å; F177-K182 WeakPolarHBondContact O-CE 3.44Å
178	S	84.4	Confident	74.8	Confident	29 Å²	29	66.5 Å²	66.5	20%	0.203	37%	0.367	C	S	.	.			trans	-65.9	163.2	175	73.9	0	0	0	0	110.5	Q176 C180 S181 K182	Q176-S178 PolarHBondContact O-N 3.18Å; S178-C180 PolarHBondContact O-N 3.47Å; S178-S181 PolarHBondContact O-N 3.4Å; S178-S181 PolarHBondContact OG-N 2.77Å; S178-S181 PolarHBondContact OG-OG 2.7Å; S178-S181 VanDerWaalsContact OG-OG 3.12Å; S178-K182 WeakPolarHBondContact O-CG 3.42Å; S178-K182 PolarHBondContact O-N 3.09Å
179	N	83.8	Confident	76.3	Confident	117 Å²	117	66.1 Å²	66.1	63%	0.626	37%	0.366	S	S	*	.	H	α-helix	trans	-60.4	-37.1	175.4	-70.4	-17.3	0	0	0	111.5	S181 K182 E183	N179-S181 PolarHBondContact O-N 2.88Å; N179-K182 WeakPolarHBondContact O-CB 3.33Å; N179-K182 PolarHBondContact O-N 2.97Å; N179-E183 WeakPolarHBondContact O-CG 3.09Å; N179-E183 PolarHBondContact O-N 3.43Å
180	C	84.3	Confident	77.7	Confident	44 Å²	44	65.7 Å²	65.7	30%	0.297	37%	0.367	S	S	.	.	H	α-helix	trans	-60.5	-46.2	174.9	-56.8	0	0	0	0	111.6	L151 S178 K182 E183 E184	L151-C180 HydrophobicContact CB-CB 4.17Å; L151-C180 HydrophobicContact CD1-CB 3.94Å; S178-C180 PolarHBondContact O-N 3.47Å; C180-K182 VanDerWaalsContact C-N 3.28Å; C180-K182 PolarHBondContact O-N 3.18Å; C180-E183 PolarHBondContact O-N 3.48Å; C180-E183 VanDerWaalsContact O-N 3.17Å; C180-E184 WeakPolarHBondContact O-CG 3.34Å; C180-E184 PolarHBondContact O-N 2.88Å
181	S	86.7	Confident	79.2	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.014	36%	0.362	C	S	.	.	H	α-helix	trans	-62.6	-36.7	176.7	-57.4	0	0	0	0	112.2	M147 M164 S178 N179 F185	M147-S181 WeakPolarHBondContact CG-O 3.35Å; M164-S181 VanDerWaalsContact CG-OG 3.28Å; M164-S181 WeakPolarHBondContact CG-OG 3.28Å; S178-S181 PolarHBondContact O-N 3.4Å; S178-S181 PolarHBondContact OG-N 2.77Å; S178-S181 PolarHBondContact OG-OG 2.7Å; S178-S181 VanDerWaalsContact OG-OG 3.12Å; N179-S181 PolarHBondContact O-N 2.88Å; S181-F185 PolarHBondContact O-N 3.28Å
182	K	88.1	Confident	80.7	Confident	64 Å²	64	59.8 Å²	59.8	28%	0.278	37%	0.366	S	S	.	.	H	α-helix	trans	-63.9	-45.6	173.7	-68.8	173.7	-176.5	172.5	0	111	I46 F177 S178 N179 C180 F185 L186	I46-K182 HydrophobicContact CG2-CG 3.95Å; F177-K182 HydrophobicContact CB-CG 4.33Å; F177-K182 WeakPolarHBondContact O-CE 3.44Å; S178-K182 WeakPolarHBondContact O-CG 3.42Å; S178-K182 PolarHBondContact O-N 3.09Å; N179-K182 WeakPolarHBondContact O-CB 3.33Å; N179-K182 PolarHBondContact O-N 2.97Å; C180-K182 VanDerWaalsContact C-N 3.28Å; C180-K182 PolarHBondContact O-N 3.18Å; K182-F185 WeakPolarHBondContact O-CB 3.47Å; K182-F185 PolarHBondContact O-N 2.59Å; K182-L186 VanDerWaalsContact O-CG 3.24Å; K182-L186 WeakPolarHBondContact O-CG 3.23Å; K182-L186 PolarHBondContact O-N 3.01Å
183	E	86.6	Confident	82.4	Confident	114 Å²	114	57.4 Å²	57.4	53%	0.533	34%	0.335	S	S	.	.	H	α-helix	trans	-63.4	-39.1	177.5	-72.9	172.4	-175.9	0	0	113.2	N179 C180 L186 S187	N179-E183 WeakPolarHBondContact O-CG 3.09Å; N179-E183 PolarHBondContact O-N 3.43Å; C180-E183 PolarHBondContact O-N 3.48Å; C180-E183 VanDerWaalsContact O-N 3.17Å; E183-L186 WeakPolarHBondContact O-CB 3.4Å; E183-L186 PolarHBondContact O-N 3.02Å; E183-S187 WeakPolarHBondContact O-CB 3.25Å; E183-S187 PolarHBondContact O-N 3.31Å; E183-S187 PolarHBondContact O-OG 3.03Å
184	E	88.1	Confident	83.5	Confident	31 Å²	31	53.2 Å²	53.2	15%	0.145	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-47.4	172.9	-72.7	-179.5	144.4	0	0	110.9	M147 S148 L151 C180 L186 S187 W188	M147-E184 WeakPolarHBondContact CA-OE2 3.44Å; S148-E184 WeakPolarHBondContact CB-OE1 3.34Å; S148-E184 PolarHBondContact N-OE2 3.26Å; S148-E184 PolarHBondContact OG-OE1 3.04Å; L151-E184 HydrophobicContact CD1-CG 3.97Å; C180-E184 WeakPolarHBondContact O-CG 3.34Å; C180-E184 PolarHBondContact O-N 2.88Å; E184-L186 PolarHBondContact O-N 3.45Å; E184-S187 PolarHBondContact O-N 2.79Å; E184-W188 WeakPolarHBondContact O-CB 3.5Å; E184-W188 PolarHBondContact O-N 2.84Å
185	F	90.4	Very high	84.8	Confident	3 Å²	3	54 Å²	54	1%	0.013	31%	0.309	C	S	.	.	H	α-helix	trans	-61.3	-41.4	175.2	171.4	-110.9	0	0	0	113	M3 I46 V48 M145 M147 S181 K182 S187 W188 I189	M3-F185 HydrophobicContact CE-CE1 4Å; I46-F185 HydrophobicContact CB-CD1 4.43Å; I46-F185 HydrophobicContact CB-CE1 4.48Å; I46-F185 HydrophobicContact CD1-CD1 4.24Å; I46-F185 HydrophobicContact CD1-CD2 4.48Å; I46-F185 HydrophobicContact CD1-CE1 4.26Å; I46-F185 HydrophobicContact CD1-CG 4.34Å; I46-F185 HydrophobicContact CD1-CZ 4.4Å; I46-F185 HydrophobicContact CG1-CE1 4.49Å; V48-F185 HydrophobicContact CG2-CE1 4.01Å; V48-F185 HydrophobicContact CG2-CE2 4.18Å; V48-F185 HydrophobicContact CG2-CZ 3.41Å; V48-F185 VanDerWaalsContact CG2-CZ 3.41Å; M145-F185 HydrophobicContact CB-CD2 3.94Å; M145-F185 HydrophobicContact CB-CE2 4.21Å; M145-F185 HydrophobicContact CG-CE2 4.45Å; M145-F185 HydrophobicContact SD-CD2 4.46Å; M145-F185 HydrophobicContact SD-CE2 3.99Å; M147-F185 HydrophobicContact CE-CB 3.46Å; M147-F185 VanDerWaalsContact CE-CB 3.46Å; M147-F185 HydrophobicContact CE-CD2 4.37Å; M147-F185 HydrophobicContact CE-CG 3.95Å; M147-F185 HydrophobicContact CG-CB 4.3Å; S181-F185 PolarHBondContact O-N 3.28Å; K182-F185 WeakPolarHBondContact O-CB 3.47Å; K182-F185 PolarHBondContact O-N 2.59Å; F185-S187 VanDerWaalsContact C-N 3.34Å; F185-W188 HydrophobicContact CD2-CE3 4.14Å; F185-W188 HydrophobicContact CE2-CE3 4.2Å; F185-W188 HydrophobicContact CE2-CZ3 4.27Å; F185-W188 PolarHBondContact O-N 3Å; F185-I189 HydrophobicContact CD2-CG1 4.22Å; F185-I189 HydrophobicContact CE1-CG1 4.33Å; F185-I189 HydrophobicContact CE2-CD1 3.97Å; F185-I189 HydrophobicContact CE2-CG1 3.79Å; F185-I189 HydrophobicContact CZ-CD1 4.13Å; F185-I189 HydrophobicContact CZ-CG1 3.85Å; F185-I189 WeakPolarHBondContact O-CG1 3.39Å; F185-I189 PolarHBondContact O-N 2.97Å
186	L	87.7	Confident	85.5	Confident	59 Å²	59	53.7 Å²	53.7	31%	0.309	31%	0.309	S	S	.	.	H	α-helix	trans	-59.2	-47.5	174.1	-68.1	176.6	0	0	0	111.4	M3 K182 E183 E184 W188 I189 I190	M3-L186 HydrophobicContact CE-CD2 3.25Å; M3-L186 HydrophobicContact CG-CD2 4.13Å; M3-L186 HydrophobicContact SD-CD2 3.05Å; M3-L186 WeakPolarHBondContact SD-CD2 3.5Å; M3-L186 HydrophobicContact SD-CG 4.42Å; K182-L186 VanDerWaalsContact O-CG 3.24Å; K182-L186 WeakPolarHBondContact O-CG 3.23Å; K182-L186 PolarHBondContact O-N 3.01Å; E183-L186 WeakPolarHBondContact O-CB 3.4Å; E183-L186 PolarHBondContact O-N 3.02Å; E184-L186 PolarHBondContact O-N 3.45Å; L186-W188 VanDerWaalsContact C-N 3.31Å; L186-W188 PolarHBondContact O-N 2.91Å; L186-I189 PolarHBondContact O-N 2.82Å; L186-I190 WeakPolarHBondContact O-CB 3.49Å; L186-I190 WeakPolarHBondContact O-CD1 3.37Å; L186-I190 WeakPolarHBondContact O-CG1 3.44Å; L186-I190 PolarHBondContact O-N 3.49Å
187	S	86.2	Confident	85.9	Confident	75 Å²	75	49.3 Å²	49.3	52%	0.524	29%	0.289	S	S	.	.	H	α-helix	trans	-62.5	-41.6	-179.5	-57.8	0	0	0	0	110.9	E183 E184 F185 I190 A191	E183-S187 WeakPolarHBondContact O-CB 3.25Å; E183-S187 PolarHBondContact O-N 3.31Å; E183-S187 PolarHBondContact O-OG 3.03Å; E184-S187 PolarHBondContact O-N 2.79Å; F185-S187 VanDerWaalsContact C-N 3.34Å; S187-I190 PolarHBondContact O-N 2.79Å; S187-A191 WeakPolarHBondContact O-CB 3.3Å; S187-A191 PolarHBondContact O-N 3.35Å
188	W	88.5	Confident	85.8	Confident	19 Å²	19	54.7 Å²	54.7	7%	0.072	31%	0.31	C	S	.	.	H	α-helix	trans	-62.1	-43.5	176.3	-178.9	72.5	0	0	0	112.7	H111 V113 M145 E184 F185 L186 S193 G194 L197	H111-W188 AromaticContact CD2-CD1 3.57Å; H111-W188 AromaticContact CD2-NE1 3.76Å; V113-W188 HydrophobicContact CB-CH2 3.75Å; V113-W188 HydrophobicContact CB-CZ2 4.23Å; V113-W188 HydrophobicContact CG1-CH2 4.04Å; M145-W188 HydrophobicContact CB-CE3 4.44Å; M145-W188 HydrophobicContact CB-CZ3 4.3Å; M145-W188 HydrophobicContact CG-CZ3 4.49Å; M145-W188 VanDerWaalsContact O-CD2 3.26Å; M145-W188 VanDerWaalsContact O-CE3 3.25Å; E184-W188 WeakPolarHBondContact O-CB 3.5Å; E184-W188 PolarHBondContact O-N 2.84Å; F185-W188 HydrophobicContact CD2-CE3 4.14Å; F185-W188 HydrophobicContact CE2-CE3 4.2Å; F185-W188 HydrophobicContact CE2-CZ3 4.27Å; F185-W188 PolarHBondContact O-N 3Å; L186-W188 VanDerWaalsContact C-N 3.31Å; L186-W188 PolarHBondContact O-N 2.91Å; W188-S193 VanDerWaalsContact CZ2-CB 3.45Å; W188-S193 VanDerWaalsContact NE1-CB 3.25Å; W188-S193 PolarHBondContact NE1-OG 2.97Å; W188-S193 VanDerWaalsContact O-CB 3.23Å; W188-S193 WeakPolarHBondContact O-CB 3.36Å; W188-S193 PolarHBondContact O-N 3.27Å; W188-S193 PolarHBondContact O-OG 2.85Å; W188-G194 VanDerWaalsContact CH2-CA 3.44Å; W188-L197 HydrophobicContact CZ3-CD1 4.17Å
189	I	86.4	Confident	85.3	Confident	16 Å²	16	57.5 Å²	57.5	8%	0.082	32%	0.323	C	S	.	.	H	α-helix	trans	-66.5	-46.1	175	-66.8	-69.1	0	0	0	111.4	F185 L186 A191 G192 L197 Y198	F185-I189 HydrophobicContact CD2-CG1 4.22Å; F185-I189 HydrophobicContact CE1-CG1 4.33Å; F185-I189 HydrophobicContact CE2-CD1 3.97Å; F185-I189 HydrophobicContact CE2-CG1 3.79Å; F185-I189 HydrophobicContact CZ-CD1 4.13Å; F185-I189 HydrophobicContact CZ-CG1 3.85Å; F185-I189 WeakPolarHBondContact O-CG1 3.39Å; F185-I189 PolarHBondContact O-N 2.97Å; L186-I189 PolarHBondContact O-N 2.82Å; I189-A191 PolarHBondContact O-N 2.91Å; I189-G192 PolarHBondContact O-N 3.31Å; I189-L197 HydrophobicContact CD1-CD1 4.29Å; I189-Y198 WeakPolarHBondContact CG2-OH 3.49Å
190	I	80.9	Confident	84.5	Confident	133 Å²	133	57.8 Å²	57.8	68%	0.682	32%	0.315	S	S	*	.	H	α-helix	trans	-64	-31.2	-178.7	-69.3	165.9	0	0	0	111.1	L186 S187 G192	L186-I190 WeakPolarHBondContact O-CB 3.49Å; L186-I190 WeakPolarHBondContact O-CD1 3.37Å; L186-I190 WeakPolarHBondContact O-CG1 3.44Å; L186-I190 PolarHBondContact O-N 3.49Å; S187-I190 PolarHBondContact O-N 2.79Å; I190-G192 PolarHBondContact O-N 2.66Å; I190-G192 VanDerWaalsContact O-N 3.15Å
191	A	81	Confident	83.2	Confident	83 Å²	83	57.2 Å²	57.2	69%	0.686	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-5.4	173.4	0	0	0	0	0	114	S187 I189	S187-A191 WeakPolarHBondContact O-CB 3.3Å; S187-A191 PolarHBondContact O-N 3.35Å; I189-A191 PolarHBondContact O-N 2.91Å
192	G	79.3	Confident	81.4	Confident	58 Å²	58	64.5 Å²	64.5	60%	0.598	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.5	6.2	177.3	0	0	0	0	0	114.7	I189 I190	I189-G192 PolarHBondContact O-N 3.31Å; I190-G192 PolarHBondContact O-N 2.66Å; I190-G192 VanDerWaalsContact O-N 3.15Å
193	S	86.9	Confident	79.3	Confident	43 Å²	43	67.9 Å²	67.9	30%	0.301	36%	0.363	S	S	.	.			trans	-80.7	170.4	176	-48.4	0	0	0	0	111.8	W188 H195	W188-S193 VanDerWaalsContact CZ2-CB 3.45Å; W188-S193 VanDerWaalsContact NE1-CB 3.25Å; W188-S193 PolarHBondContact NE1-OG 2.97Å; W188-S193 VanDerWaalsContact O-CB 3.23Å; W188-S193 WeakPolarHBondContact O-CB 3.36Å; W188-S193 PolarHBondContact O-N 3.27Å; W188-S193 PolarHBondContact O-OG 2.85Å; S193-H195 VanDerWaalsContact C-N 3.31Å; S193-H195 PolarHBondContact O-N 3.49Å
194	G	85.1	Confident	77.2	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.01	38%	0.379	C	S	.	.			trans	71.5	20.9	175.6	0	0	0	0	0	115	C114 W188 C196 L197	C114-G194 VanDerWaalsContact SG-C 3.5Å; C114-G194 VanDerWaalsContact SG-CA 3.56Å; W188-G194 VanDerWaalsContact CH2-CA 3.44Å; G194-C196 PolarHBondContact O-N 3.17Å; G194-C196 VanDerWaalsContact O-N 3.14Å; G194-L197 VanDerWaalsContact O-CB 3.24Å; G194-L197 WeakPolarHBondContact O-CB 3.33Å; G194-L197 WeakPolarHBondContact O-CG 3.47Å; G194-L197 PolarHBondContact O-N 3.15Å
195	H	85.9	Confident	75.1	Confident	128 Å²	128	73.6 Å²	73.6	59%	0.593	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-54.2	-33.2	-177	64.4	-87.3	0	0	0	114.1	C114 S193 L197	C114-H195 WeakPolarHBondContact CB-CE1 3.3Å; S193-H195 VanDerWaalsContact C-N 3.31Å; S193-H195 PolarHBondContact O-N 3.49Å; H195-L197 PolarHBondContact O-N 3.38Å
196	C	87.9	Confident	73.3	Confident	11 Å²	11	78.4 Å²	78.4	7%	0.074	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-68.6	-22.2	177.6	70.7	0	0	0	0	113.4	D91 C114 G194 Y198 N199	D91-C196 WeakPolarHBondContact CB-SG 3.29Å; D91-C196 PolarHBondContact OD1-SG 3.3Å; C114-C196 WeakPolarHBondContact CA-SG 3.46Å; C114-C196 HydrophobicContact CB-CB 3.64Å; C114-C196 WeakPolarHBondContact CB-SG 3.28Å; C114-C196 VanDerWaalsContact SG-CA 3.59Å; C114-C196 WeakPolarHBondContact SG-CB 3.4Å; C114-C196 PolarHBondContact SG-N 2.89Å; C114-C196 CovalentContact SG-SG 2.02Å; C114-C196 PolarHBondContact SG-SG 2.81Å; G194-C196 PolarHBondContact O-N 3.17Å; G194-C196 VanDerWaalsContact O-N 3.14Å; C196-Y198 PolarHBondContact O-N 3.28Å; C196-N199 PolarHBondContact O-N 3Å; C196-N199 PolarHBondContact O-ND2 3.11Å
197	L	90.2	Very high	71.8	Confident	0 Å²	0	83.2 Å²	83.2	0%	0	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-75.1	-5.2	-173.6	-57.6	177.2	0	0	0	113.9	K6 F7 L8 D91 V113 W188 I189 G194 H195 N199	K6-L197 CarbonylContact C-O 3.55Å; K6-L197 VanDerWaalsContact CA-O 3.31Å; K6-L197 WeakPolarHBondContact CA-O 3.38Å; K6-L197 HydrophobicContact CB-CB 4.03Å; K6-L197 HydrophobicContact CG-CB 4.43Å; F7-L197 PolarHBondContact N-O 3.36Å; F7-L197 VanDerWaalsContact O-CA 3.26Å; F7-L197 WeakPolarHBondContact O-CA 3.29Å; F7-L197 WeakPolarHBondContact O-CD2 3.29Å; L8-L197 HydrophobicContact CB-CD2 3.81Å; L8-L197 HydrophobicContact CD1-CD2 4.04Å; L8-L197 HydrophobicContact CG-CD2 4.03Å; D91-L197 HydrophobicContact CB-CD2 4.32Å; V113-L197 HydrophobicContact CG1-CD1 4.08Å; V113-L197 HydrophobicContact CG1-CD2 3.82Å; V113-L197 HydrophobicContact CG1-CG 4.05Å; W188-L197 HydrophobicContact CZ3-CD1 4.17Å; I189-L197 HydrophobicContact CD1-CD1 4.29Å; G194-L197 VanDerWaalsContact O-CB 3.24Å; G194-L197 WeakPolarHBondContact O-CB 3.33Å; G194-L197 WeakPolarHBondContact O-CG 3.47Å; G194-L197 PolarHBondContact O-N 3.15Å; H195-L197 PolarHBondContact O-N 3.38Å; L197-N199 VanDerWaalsContact C-N 3.29Å
198	Y	83.6	Confident	70.7	Confident	119 Å²	119	82.4 Å²	82.4	47%	0.467	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-84.9	-6.9	175.9	-67.6	-89.3	0	0	0	112.5	I189 C196 R200	I189-Y198 WeakPolarHBondContact CG2-OH 3.49Å; C196-Y198 PolarHBondContact O-N 3.28Å; Y198-R200 PolarHBondContact O-N 3.45Å
199	N	73.2	Confident	70.4	Confident	88 Å²	88	88.7 Å²	88.7	47%	0.471	47%	0.472	S	S	.	.	S	Bend	trans	-84.4	111.4	-179.5	-62.5	-50.4	0	0	0	110.8	F7 C196 L197	F7-N199 WeakPolarHBondContact CB-O 3.49Å; C196-N199 PolarHBondContact O-N 3Å; C196-N199 PolarHBondContact O-ND2 3.11Å; L197-N199 VanDerWaalsContact C-N 3.29Å
200	R	66.7	Low	70.5	Confident	122 Å²	122	90.1 Å²	90.1	46%	0.46	48%	0.482	S	S	.	.			trans	-61.2	130.7	175.8	-161.1	176.9	-153.4	-172.1	4.8	110.9	F7 Y198 E217	F7-R200 HydrophobicContact CD1-CG 4.4Å; F7-R200 HydrophobicContact CD2-CB 4.27Å; F7-R200 HydrophobicContact CD2-CG 4.35Å; F7-R200 HydrophobicContact CE1-CG 3.97Å; F7-R200 HydrophobicContact CE2-CB 4.11Å; F7-R200 HydrophobicContact CE2-CG 3.93Å; F7-R200 HydrophobicContact CZ-CB 4.42Å; F7-R200 HydrophobicContact CZ-CG 3.73Å; Y198-R200 PolarHBondContact O-N 3.45Å; R200-E217 WeakPolarHBondContact CD-OE1 3.19Å; R200-E217 IonicContact NH1-OE1 3.43Å; R200-E217 IonicContact NH1-OE2 3.02Å
201	P	57.9	Low	70.8	Confident	32 Å²	32	85.2 Å²	85.2	21%	0.208	47%	0.465	C	S	.	.			trans	-65.6	140.1	172.3	-12.6	28	0	0	0	107.4	F7 S51 Q203	F7-P201 VanDerWaalsContact CB-CD 3.45Å; F7-P201 HydrophobicContact CB-CG 3.83Å; F7-P201 HydrophobicContact CD1-CG 3.88Å; F7-P201 HydrophobicContact CG-CG 4.16Å; S51-P201 WeakPolarHBondContact OG-CG 3.33Å; P201-Q203 VanDerWaalsContact C-N 3.33Å; P201-Q203 PolarHBondContact O-N 3.25Å
202	M	48.5	Very low	71.2	Confident	156 Å²	156	83.8 Å²	83.8	77%	0.768	45%	0.446	S	S	*	.			trans	-54.8	87.8	-172.9	-60.2	179.5	76.4	0	0	112.3
203	Q	44.1	Very low	71.7	Confident	135 Å²	135	86.1 Å²	86.1	63%	0.631	44%	0.439	S	S	*	.			trans	-95.9	115.9	164	-109.7	179.3	-2.5	0	0	105.9	P201 I205	P201-Q203 VanDerWaalsContact C-N 3.33Å; P201-Q203 PolarHBondContact O-N 3.25Å; Q203-I205 VanDerWaalsContact C-N 3.35Å; Q203-I205 PolarHBondContact O-N 3.48Å
204	K	43.3	Very low	71.6	Confident	197 Å²	197	88.9 Å²	88.9	86%	0.857	45%	0.45	S	S	*	.			trans	-53	95.9	175.8	-69.8	-179.6	176.3	-177.7	0	109.8	A206	K204-A206 PolarHBondContact O-N 3.11Å
205	I	44	Very low	71.7	Confident	67 Å²	67	93.2 Å²	93.2	34%	0.344	47%	0.472	S	S	.	.			trans	-65.7	120.9	163.9	-66.9	179	0	0	0	105.4	Q203 Q207 S208 E217	Q203-I205 VanDerWaalsContact C-N 3.35Å; Q203-I205 PolarHBondContact O-N 3.48Å; I205-Q207 HydrophobicContact CG2-CB 4.21Å; I205-Q207 PolarHBondContact O-N 2.85Å; I205-S208 PolarHBondContact O-N 3.39Å; I205-E217 HydrophobicContact CB-CB 4.42Å; I205-E217 HydrophobicContact CD1-CB 4.15Å; I205-E217 HydrophobicContact CD1-CG 3.86Å; I205-E217 WeakPolarHBondContact CD1-OE1 3.17Å; I205-E217 WeakPolarHBondContact CD1-OE2 3.5Å; I205-E217 HydrophobicContact CG1-CB 4.28Å; I205-E217 HydrophobicContact CG1-CG 4.46Å; I205-E217 WeakPolarHBondContact CG1-OE2 3.43Å
206	A	52	Low	71.5	Confident	105 Å²	105	89.1 Å²	89.1	87%	0.868	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	28.6	-176.5	0	0	0	0	0	114.4	K204	K204-A206 PolarHBondContact O-N 3.11Å
207	Q	56.3	Low	70.6	Confident	160 Å²	160	92 Å²	92	75%	0.748	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.9	6.2	179.6	-68.3	-173.8	-10.3	0	0	113.5	I205 K209	I205-Q207 HydrophobicContact CG2-CB 4.21Å; I205-Q207 PolarHBondContact O-N 2.85Å; Q207-K209 PolarHBondContact O-N 3.16Å; Q207-K209 VanDerWaalsContact O-N 3.16Å
208	S	64.2	Low	70	Confident	58 Å²	58	93.9 Å²	93.9	41%	0.406	49%	0.487	S	S	.	.			trans	-62.5	121	172.2	52.9	0	0	0	0	110	I205 D216	I205-S208 PolarHBondContact O-N 3.39Å; S208-D216 WeakPolarHBondContact CA-OD2 3.37Å
209	K	81.9	Confident	70.2	Confident	151 Å²	151	89.4 Å²	89.4	66%	0.657	47%	0.47	S	S	*	.			trans	-124.3	85.7	-179.5	-171.8	-168	174.5	-175.6	0	109.4	Q207 G211 N212 D216	Q207-K209 PolarHBondContact O-N 3.16Å; Q207-K209 VanDerWaalsContact O-N 3.16Å; K209-G211 PolarHBondContact O-N 3.05Å; K209-N212 WeakPolarHBondContact O-CB 3.45Å; K209-N212 PolarHBondContact O-N 3.45Å; K209-N212 PolarHBondContact O-ND2 3.16Å; K209-N212 PolarHBondContact O-OD1 2.82Å; K209-D216 PolarHBondContact N-OD2 2.87Å
210	C	86.9	Confident	71	Confident	45 Å²	45	89.9 Å²	89.9	30%	0.304	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	129.3	174.3	-179.6	0	0	0	0	112.9	E219 A238 C241	C210-E219 WeakPolarHBondContact CA-OE1 3.13Å; C210-E219 WeakPolarHBondContact CB-OE1 3.21Å; C210-E219 PolarHBondContact N-OE1 2.91Å; C210-A238 PolarHBondContact SG-O 2.74Å; C210-C241 WeakPolarHBondContact CA-SG 3.41Å; C210-C241 HydrophobicContact CB-CB 3.74Å; C210-C241 WeakPolarHBondContact CB-SG 3.25Å; C210-C241 WeakPolarHBondContact SG-CB 3.44Å; C210-C241 PolarHBondContact SG-N 2.59Å; C210-C241 CovalentContact SG-SG 2.03Å; C210-C241 PolarHBondContact SG-SG 2.88Å
211	G	88.4	Confident	72.1	Confident	31 Å²	31	84.1 Å²	84.1	32%	0.32	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	11.5	-179.5	0	0	0	0	0	113.9	K209 D222 G224	K209-G211 PolarHBondContact O-N 3.05Å; G211-D222 WeakPolarHBondContact CA-OD1 3.49Å; G211-D222 WeakPolarHBondContact CA-OD2 3.05Å; G211-D222 PolarHBondContact N-OD1 3.17Å; G211-D222 PolarHBondContact N-OD2 3.32Å; G211-G224 WeakPolarHBondContact CA-O 3Å
212	N	89.3	Confident	73.8	Confident	53 Å²	53	82.6 Å²	82.6	28%	0.283	44%	0.438	S	S	.	.	S	Bend	trans	-91.9	0.4	175	70.2	6.1	0	0	0	112.6	K209 I214 D216 D222	K209-N212 WeakPolarHBondContact O-CB 3.45Å; K209-N212 PolarHBondContact O-N 3.45Å; K209-N212 PolarHBondContact O-ND2 3.16Å; K209-N212 PolarHBondContact O-OD1 2.82Å; N212-I214 PolarHBondContact O-N 2.97Å; N212-I214 WeakPolarHBondContact OD1-CA 3.27Å; N212-I214 VanDerWaalsContact OD1-CB 3.31Å; N212-I214 WeakPolarHBondContact OD1-CB 3.39Å; N212-I214 PolarHBondContact OD1-N 3.02Å; N212-I214 PolarHBondContact OD1-O 3.36Å; N212-D216 PolarHBondContact ND2-OD2 3.08Å; N212-D222 PolarHBondContact N-OD2 3.24Å; N212-D222 PolarHBondContact OD1-OD2 3.26Å
213	K	88.8	Confident	75.9	Confident	106 Å²	106	75.1 Å²	75.1	46%	0.461	40%	0.401	S	S	.	.	S	Bend	trans	67.5	15.3	-176.4	-54.8	179.8	178.1	-176.6	0	114	D222 E228	K213-D222 WeakPolarHBondContact CA-OD1 2.89Å; K213-D222 PolarHBondContact N-OD1 3.01Å; K213-D222 VanDerWaalsContact N-OD1 3.15Å; K213-D222 PolarHBondContact N-OD2 2.81Å; K213-E228 WeakPolarHBondContact CE-OE1 3.46Å; K213-E228 IonicContact NZ-OE1 2.93Å; K213-E228 PolarHBondContact NZ-OE1 3.49Å; K213-E228 IonicContact NZ-OE2 2.8Å; K213-E228 PolarHBondContact NZ-OE2 3.06Å
214	I	85.5	Confident	78.1	Confident	102 Å²	102	68.8 Å²	68.8	52%	0.523	37%	0.371	S	S	.	.	S	Bend	trans	-116.9	121	176.7	-57.3	174.1	0	0	0	106.1	N212 D216	N212-I214 PolarHBondContact O-N 2.97Å; N212-I214 WeakPolarHBondContact OD1-CA 3.27Å; N212-I214 VanDerWaalsContact OD1-CB 3.31Å; N212-I214 WeakPolarHBondContact OD1-CB 3.39Å; N212-I214 PolarHBondContact OD1-N 3.02Å; N212-I214 PolarHBondContact OD1-O 3.36Å; I214-D216 PolarHBondContact O-N 2.98Å
215	I	86.8	Confident	80.3	Confident	92 Å²	92	63 Å²	63	47%	0.472	35%	0.35	S	S	.	.			trans	-74.3	97.5	176.5	-57.1	176.5	0	0	0	107.5	E219 D222	I215-E219 HydrophobicContact CG2-CB 4.22Å; I215-E219 WeakPolarHBondContact CG2-O 3.28Å; I215-D222 HydrophobicContact CG1-CB 4.31Å
216	D	81.8	Confident	82.5	Confident	41 Å²	41	63.4 Å²	63.4	22%	0.219	36%	0.363	C	S	.	.			trans	-79.8	164.2	179.8	-72.6	-43.2	0	0	0	111.6	S208 K209 N212 I214 G218 E219	S208-D216 WeakPolarHBondContact CA-OD2 3.37Å; K209-D216 PolarHBondContact N-OD2 2.87Å; N212-D216 PolarHBondContact ND2-OD2 3.08Å; I214-D216 PolarHBondContact O-N 2.98Å; D216-G218 PolarHBondContact O-N 3.4Å; D216-E219 PolarHBondContact N-OE2 3.31Å; D216-E219 PolarHBondContact O-N 3.32Å
217	E	70	Confident	84.1	Confident	71 Å²	71	67.2 Å²	67.2	33%	0.332	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	115.6	175.6	-79.3	-166.6	-167.7	0	0	110.9	R200 I205	R200-E217 WeakPolarHBondContact CD-OE1 3.19Å; R200-E217 IonicContact NH1-OE1 3.43Å; R200-E217 IonicContact NH1-OE2 3.02Å; I205-E217 HydrophobicContact CB-CB 4.42Å; I205-E217 HydrophobicContact CD1-CB 4.15Å; I205-E217 HydrophobicContact CD1-CG 3.86Å; I205-E217 WeakPolarHBondContact CD1-OE1 3.17Å; I205-E217 WeakPolarHBondContact CD1-OE2 3.5Å; I205-E217 HydrophobicContact CG1-CB 4.28Å; I205-E217 HydrophobicContact CG1-CG 4.46Å; I205-E217 WeakPolarHBondContact CG1-OE2 3.43Å
218	G	77.1	Confident	85.6	Confident	41 Å²	41	62.1 Å²	62.1	42%	0.423	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	111.2	-15.9	-178.5	0	0	0	0	0	114.5	D216	D216-G218 PolarHBondContact O-N 3.4Å
219	E	87.9	Confident	86.9	Confident	24 Å²	24	59.5 Å²	59.5	11%	0.112	32%	0.321	C	S	.	.			trans	-91.3	143.1	177.1	-62.4	-178.5	178.3	0	0	110.3	C210 I215 D216 C241	C210-E219 WeakPolarHBondContact CA-OE1 3.13Å; C210-E219 WeakPolarHBondContact CB-OE1 3.21Å; C210-E219 PolarHBondContact N-OE1 2.91Å; I215-E219 HydrophobicContact CG2-CB 4.22Å; I215-E219 WeakPolarHBondContact CG2-O 3.28Å; D216-E219 PolarHBondContact N-OE2 3.31Å; D216-E219 PolarHBondContact O-N 3.32Å; E219-C241 HydrophobicContact CB-CB 3.87Å; E219-C241 HydrophobicContact CG-CB 3.64Å
220	Q	89.8	Confident	87.2	Confident	99 Å²	99	57.8 Å²	57.8	46%	0.463	32%	0.315	S	S	.	.	S	Bend	trans	-93.3	-21.2	174.2	-59.2	-178.3	-40.7	0	0	111.9	C241 L243	Q220-C241 PolarHBondContact N-O 3.47Å; Q220-L243 HydrophobicContact CB-CD1 4.37Å; Q220-L243 HydrophobicContact CB-CG 3.9Å
221	C	90.8	Very high	87.3	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.335	C	S	.	.			trans	-163.8	151.8	179	59	0	0	0	0	109.7	C236 C241 M242 L243 S250	C221-C236 VanDerWaalsContact C-SG 3.54Å; C221-C236 HydrophobicContact CB-CB 3.72Å; C221-C236 WeakPolarHBondContact CB-SG 3.46Å; C221-C236 PolarHBondContact O-SG 3.06Å; C221-C236 WeakPolarHBondContact SG-CA 3.27Å; C221-C236 WeakPolarHBondContact SG-CB 3.48Å; C221-C236 CovalentContact SG-SG 2.03Å; C221-C236 PolarHBondContact SG-SG 3.4Å; C221-C241 PolarHBondContact N-O 3.47Å; C221-C241 CarbonylContact O-C 3.45Å; C221-C241 WeakPolarHBondContact O-CA 3.45Å; C221-C241 WeakPolarHBondContact O-CB 3.35Å; C221-M242 PolarHBondContact SG-O 3Å; C221-L243 HydrophobicContact CB-CD2 4.39Å; C221-S250 VanDerWaalsContact CB-OG 3.23Å; C221-S250 WeakPolarHBondContact CB-OG 2.97Å
222	D	92.6	Very high	87.4	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.339	C	S	.	.			trans	-139.3	113.3	168.7	-172	-25	0	0	0	109.7	G211 N212 K213 I215 G224 R251	G211-D222 WeakPolarHBondContact CA-OD1 3.49Å; G211-D222 WeakPolarHBondContact CA-OD2 3.05Å; G211-D222 PolarHBondContact N-OD1 3.17Å; G211-D222 PolarHBondContact N-OD2 3.32Å; N212-D222 PolarHBondContact N-OD2 3.24Å; N212-D222 PolarHBondContact OD1-OD2 3.26Å; K213-D222 WeakPolarHBondContact CA-OD1 2.89Å; K213-D222 PolarHBondContact N-OD1 3.01Å; K213-D222 VanDerWaalsContact N-OD1 3.15Å; K213-D222 PolarHBondContact N-OD2 2.81Å; I215-D222 HydrophobicContact CG1-CB 4.31Å; D222-G224 PolarHBondContact OD1-N 3.41Å; D222-R251 PolarHBondContact O-NH1 3.12Å
223	C	92.1	Very high	87.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.326	C	S	.	.			trans	-104	3.9	-176.9	53.5	0	0	0	0	114.1	C229 D233 C236	C223-C229 HydrophobicContact CB-CB 3.71Å; C223-C229 WeakPolarHBondContact CB-SG 3.39Å; C223-C229 WeakPolarHBondContact SG-CB 3.45Å; C223-C229 CovalentContact SG-SG 2Å; C223-C229 PolarHBondContact SG-SG 3.39Å; C223-D233 HydrophobicContact CB-CB 3.8Å; C223-C236 HydrophobicContact CB-CB 4.13Å; C223-C236 VanDerWaalsContact SG-SG 3.68Å
224	G	90.2	Very high	87.7	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.01	33%	0.325	C	S	.	.			trans	88.6	-147.5	-174.4	0	0	0	0	0	112.5	G211 D222	G211-G224 WeakPolarHBondContact CA-O 3Å; D222-G224 PolarHBondContact OD1-N 3.41Å
225	N	89.7	Confident	88.1	Confident	75 Å²	75	53.9 Å²	53.9	40%	0.401	30%	0.301	S	S	.	.	S	Bend	trans	-75.2	164	-176.2	68.4	50.2	0	0	0	112.6	E227 E228 C229	N225-E227 PolarHBondContact O-N 3.5Å; N225-E227 WeakPolarHBondContact OD1-CB 3.45Å; N225-E227 PolarHBondContact OD1-N 3.37Å; N225-E227 VanDerWaalsContact OD1-N 3.1Å; N225-E228 PolarHBondContact N-OE1 2.83Å; N225-E228 PolarHBondContact ND2-OE1 2.79Å; N225-E228 PolarHBondContact O-N 2.88Å; N225-E228 WeakPolarHBondContact OD1-CG 3.35Å; N225-E228 PolarHBondContact OD1-N 3.39Å; N225-C229 VanDerWaalsContact O-CB 3.23Å; N225-C229 WeakPolarHBondContact O-CB 3.31Å; N225-C229 PolarHBondContact O-N 2.76Å
226	A	89.4	Confident	88.5	Confident	76 Å²	76	49.5 Å²	49.5	63%	0.628	28%	0.279	S	S	*	.	H	α-helix	trans	-63.5	-25	-176.9	0	0	0	0	0	114.4	A238	A226-A238 HydrophobicContact CB-CB 4.1Å
227	E	86.7	Confident	89	Confident	186 Å²	186	49.1 Å²	49.1	87%	0.869	28%	0.278	S	S	*	.	H	α-helix	trans	-76.4	-36.2	-177.3	-63.2	169.5	179.3	0	0	111.5	N225	N225-E227 PolarHBondContact O-N 3.5Å; N225-E227 WeakPolarHBondContact OD1-CB 3.45Å; N225-E227 PolarHBondContact OD1-N 3.37Å; N225-E227 VanDerWaalsContact OD1-N 3.1Å
228	E	88.2	Confident	90	Very high	52 Å²	52	46.5 Å²	46.5	24%	0.243	27%	0.269	C	S	.	.	H	α-helix	trans	-94.7	-28.2	-178.4	73	-173.4	156.7	0	0	113.3	K213 N225 E230 S231 I232	K213-E228 WeakPolarHBondContact CE-OE1 3.46Å; K213-E228 IonicContact NZ-OE1 2.93Å; K213-E228 PolarHBondContact NZ-OE1 3.49Å; K213-E228 IonicContact NZ-OE2 2.8Å; K213-E228 PolarHBondContact NZ-OE2 3.06Å; N225-E228 PolarHBondContact N-OE1 2.83Å; N225-E228 PolarHBondContact ND2-OE1 2.79Å; N225-E228 PolarHBondContact O-N 2.88Å; N225-E228 WeakPolarHBondContact OD1-CG 3.35Å; N225-E228 PolarHBondContact OD1-N 3.39Å; E228-E230 PolarHBondContact O-N 3.43Å; E228-S231 PolarHBondContact O-N 2.99Å; E228-S231 VanDerWaalsContact O-N 3.1Å; E228-S231 PolarHBondContact O-OG 3.41Å; E228-I232 HydrophobicContact CB-CD1 3.92Å; E228-I232 HydrophobicContact CG-CD1 3.71Å; E228-I232 WeakPolarHBondContact O-CG1 3.34Å; E228-I232 PolarHBondContact O-N 3.13Å
229	C	91.5	Very high	90.5	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.02	28%	0.282	C	S	.	.	H	α-helix	trans	-54.6	-48.5	-168.5	175.2	0	0	0	0	114.1	C223 N225 S231 I232 D233 A238	C223-C229 HydrophobicContact CB-CB 3.71Å; C223-C229 WeakPolarHBondContact CB-SG 3.39Å; C223-C229 WeakPolarHBondContact SG-CB 3.45Å; C223-C229 CovalentContact SG-SG 2Å; C223-C229 PolarHBondContact SG-SG 3.39Å; N225-C229 VanDerWaalsContact O-CB 3.23Å; N225-C229 WeakPolarHBondContact O-CB 3.31Å; N225-C229 PolarHBondContact O-N 2.76Å; C229-S231 PolarHBondContact O-N 2.9Å; C229-S231 VanDerWaalsContact O-N 3.13Å; C229-I232 PolarHBondContact O-N 3.01Å; C229-D233 CarbonylContact O-C 3.59Å; C229-D233 PolarHBondContact O-N 2.82Å; C229-A238 HydrophobicContact CB-CB 3.53Å
230	E	87.9	Confident	90.5	Very high	115 Å²	115	53.4 Å²	53.4	54%	0.537	29%	0.294	S	S	.	.	H	α-helix	trans	-61.1	-28.7	-175.9	-168.8	66.5	-151.5	0	0	112.3	E228 K244	E228-E230 PolarHBondContact O-N 3.43Å; E230-K244 IonicContact OE1-NZ 2.82Å; E230-K244 PolarHBondContact OE1-NZ 2.02Å; E230-K244 IonicContact OE2-NZ 3.25Å; E230-K244 PolarHBondContact OE2-NZ 3.02Å
231	S	89.8	Confident	90.6	Very high	102 Å²	102	48.7 Å²	48.7	71%	0.713	27%	0.272	S	S	*	.	H	α-helix	trans	-82.1	-28.6	177.6	73.1	0	0	0	0	113.5	E228 C229	E228-S231 PolarHBondContact O-N 2.99Å; E228-S231 VanDerWaalsContact O-N 3.1Å; E228-S231 PolarHBondContact O-OG 3.41Å; C229-S231 PolarHBondContact O-N 2.9Å; C229-S231 VanDerWaalsContact O-N 3.13Å
232	I	89.4	Confident	90.6	Very high	79 Å²	79	53.2 Å²	53.2	41%	0.405	29%	0.294	S	S	.	.	H	α-helix	trans	-89.2	-42.1	-177	-61.6	175.7	0	0	0	110.6	E228 C229	E228-I232 HydrophobicContact CB-CD1 3.92Å; E228-I232 HydrophobicContact CG-CD1 3.71Å; E228-I232 WeakPolarHBondContact O-CG1 3.34Å; E228-I232 PolarHBondContact O-N 3.13Å; C229-I232 PolarHBondContact O-N 3.01Å
233	D	92.1	Very high	90.6	Very high	2 Å²	2	55 Å²	55	1%	0.011	30%	0.303	C	S	.	.			trans	-148.2	88.3	-172.6	-172.1	-15.9	0	0	0	110	C223 C229 C235 C236 S250 R251	C223-D233 HydrophobicContact CB-CB 3.8Å; C229-D233 CarbonylContact O-C 3.59Å; C229-D233 PolarHBondContact O-N 2.82Å; D233-C235 PolarHBondContact O-N 2.8Å; D233-C235 VanDerWaalsContact OD1-CB 3.25Å; D233-C235 WeakPolarHBondContact OD1-CB 3.28Å; D233-C235 PolarHBondContact OD1-N 3.27Å; D233-C236 HydrophobicContact CB-CB 4.24Å; D233-C236 PolarHBondContact O-N 3.4Å; D233-C236 PolarHBondContact OD1-N 3.42Å; D233-S250 WeakPolarHBondContact OD2-CB 3.15Å; D233-S250 PolarHBondContact OD2-OG 2.86Å; D233-R251 IonicContact OD2-NE 3.24Å
234	P	92.4	Very high	90.7	Very high	67 Å²	67	57.5 Å²	57.5	44%	0.435	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-3.2	-179.3	29.9	-36	0	0	0	112.9	K244	P234-K244 VanDerWaalsContact O-CD 3.23Å; P234-K244 WeakPolarHBondContact O-CD 3.25Å; P234-K244 WeakPolarHBondContact O-CE 3.31Å; P234-K244 PolarHBondContact O-NZ 3.31Å
235	C	94.9	Very high	90.6	Very high	5 Å²	5	63 Å²	63	3%	0.034	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-15.2	-179.1	-45.5	0	0	0	0	112.5	D233 K244 A247 C249 C258	D233-C235 PolarHBondContact O-N 2.8Å; D233-C235 VanDerWaalsContact OD1-CB 3.25Å; D233-C235 WeakPolarHBondContact OD1-CB 3.28Å; D233-C235 PolarHBondContact OD1-N 3.27Å; C235-K244 PolarHBondContact O-N 3.17Å; C235-A247 HydrophobicContact CB-CB 3.97Å; C235-C249 VanDerWaalsContact CB-O 3.31Å; C235-C249 WeakPolarHBondContact CB-O 3.41Å; C235-C258 WeakPolarHBondContact CA-SG 3.11Å; C235-C258 HydrophobicContact CB-CB 3.62Å; C235-C258 WeakPolarHBondContact CB-SG 3.35Å; C235-C258 WeakPolarHBondContact SG-CA 3.4Å; C235-C258 WeakPolarHBondContact SG-CB 3.23Å; C235-C258 PolarHBondContact SG-N 2.93Å; C235-C258 VanDerWaalsContact SG-N 3.44Å; C235-C258 CovalentContact SG-SG 2.02Å; C235-C258 PolarHBondContact SG-SG 3.44Å
236	C	94.5	Very high	90.6	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.007	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	142.7	-174.6	-166.2	0	0	0	0	112.2	C221 C223 D233	C221-C236 VanDerWaalsContact C-SG 3.54Å; C221-C236 HydrophobicContact CB-CB 3.72Å; C221-C236 WeakPolarHBondContact CB-SG 3.46Å; C221-C236 PolarHBondContact O-SG 3.06Å; C221-C236 WeakPolarHBondContact SG-CA 3.27Å; C221-C236 WeakPolarHBondContact SG-CB 3.48Å; C221-C236 CovalentContact SG-SG 2.03Å; C221-C236 PolarHBondContact SG-SG 3.4Å; C223-C236 HydrophobicContact CB-CB 4.13Å; C223-C236 VanDerWaalsContact SG-SG 3.68Å; D233-C236 HydrophobicContact CB-CB 4.24Å; D233-C236 PolarHBondContact O-N 3.4Å; D233-C236 PolarHBondContact OD1-N 3.42Å
237	V	92.6	Very high	90.7	Very high	32 Å²	32	62.6 Å²	62.6	19%	0.194	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	104	172.5	-179.7	0	0	0	0	109	H239 T240 C241 M242 K244	V237-H239 WeakPolarHBondContact CG1-CE1 3.36Å; V237-H239 WeakPolarHBondContact CG1-ND1 2.98Å; V237-H239 PolarHBondContact O-N 3.08Å; V237-T240 WeakPolarHBondContact CB-OG1 3.5Å; V237-T240 HydrophobicContact CG1-CG2 4.33Å; V237-T240 WeakPolarHBondContact CG1-OG1 3.04Å; V237-T240 PolarHBondContact O-N 2.86Å; V237-T240 VanDerWaalsContact O-N 3.11Å; V237-T240 PolarHBondContact O-OG1 3.03Å; V237-C241 PolarHBondContact O-N 2.92Å; V237-M242 WeakPolarHBondContact CB-O 3.4Å; V237-M242 PolarHBondContact N-O 3.37Å; V237-K244 HydrophobicContact CG2-CB 4.46Å; V237-K244 HydrophobicContact CG2-CG 3.6Å
238	A	90.9	Very high	90.9	Very high	17 Å²	17	59.7 Å²	59.7	14%	0.14	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-32.6	-170.2	0	0	0	0	0	116.1	C210 A226 C229	C210-A238 PolarHBondContact SG-O 2.74Å; A226-A238 HydrophobicContact CB-CB 4.1Å; C229-A238 HydrophobicContact CB-CB 3.53Å
239	H	86.5	Confident	91	Very high	150 Å²	150	57.9 Å²	57.9	69%	0.694	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-16.5	-174.2	60.6	-86.7	0	0	0	113.7	V237	V237-H239 WeakPolarHBondContact CG1-CE1 3.36Å; V237-H239 WeakPolarHBondContact CG1-ND1 2.98Å; V237-H239 PolarHBondContact O-N 3.08Å
240	T	88.5	Confident	90.9	Very high	60 Å²	60	58.6 Å²	58.6	37%	0.368	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-15.2	179.1	60	0	0	0	0	113	V237 M242	V237-T240 WeakPolarHBondContact CB-OG1 3.5Å; V237-T240 HydrophobicContact CG1-CG2 4.33Å; V237-T240 WeakPolarHBondContact CG1-OG1 3.04Å; V237-T240 PolarHBondContact O-N 2.86Å; V237-T240 VanDerWaalsContact O-N 3.11Å; V237-T240 PolarHBondContact O-OG1 3.03Å; T240-M242 WeakPolarHBondContact O-CG 2.97Å; T240-M242 PolarHBondContact O-N 3.42Å; T240-M242 WeakPolarHBondContact OG1-CB 2.99Å; T240-M242 PolarHBondContact OG1-N 3.34Å
241	C	91	Very high	90.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	34.9	-171.5	-72	0	0	0	0	112.1	C210 E219 Q220 C221 V237	C210-C241 WeakPolarHBondContact CA-SG 3.41Å; C210-C241 HydrophobicContact CB-CB 3.74Å; C210-C241 WeakPolarHBondContact CB-SG 3.25Å; C210-C241 WeakPolarHBondContact SG-CB 3.44Å; C210-C241 PolarHBondContact SG-N 2.59Å; C210-C241 CovalentContact SG-SG 2.03Å; C210-C241 PolarHBondContact SG-SG 2.88Å; E219-C241 HydrophobicContact CB-CB 3.87Å; E219-C241 HydrophobicContact CG-CB 3.64Å; Q220-C241 PolarHBondContact N-O 3.47Å; C221-C241 PolarHBondContact N-O 3.47Å; C221-C241 CarbonylContact O-C 3.45Å; C221-C241 WeakPolarHBondContact O-CA 3.45Å; C221-C241 WeakPolarHBondContact O-CB 3.35Å; V237-C241 PolarHBondContact O-N 2.92Å
242	M	92.7	Very high	90.4	Very high	95 Å²	95	56.2 Å²	56.2	47%	0.468	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	154.5	175.4	-59.5	-171	78.2	0	0	110.3	C221 V237 T240	C221-M242 PolarHBondContact SG-O 3Å; V237-M242 WeakPolarHBondContact CB-O 3.4Å; V237-M242 PolarHBondContact N-O 3.37Å; T240-M242 WeakPolarHBondContact O-CG 2.97Å; T240-M242 PolarHBondContact O-N 3.42Å; T240-M242 WeakPolarHBondContact OG1-CB 2.99Å; T240-M242 PolarHBondContact OG1-N 3.34Å
243	L	92.6	Very high	89.9	Confident	37 Å²	37	61.6 Å²	61.6	19%	0.194	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	146.1	171.9	-68.2	173	0	0	0	110.3	Q220 C221 A247	Q220-L243 HydrophobicContact CB-CD1 4.37Å; Q220-L243 HydrophobicContact CB-CG 3.9Å; C221-L243 HydrophobicContact CB-CD2 4.39Å; L243-A247 HydrophobicContact CB-CB 4.12Å; L243-A247 HydrophobicContact CD2-CB 4.22Å
244	K	92.7	Very high	89.5	Confident	53 Å²	53	65.7 Å²	65.7	23%	0.23	38%	0.378	C	S	.	.			trans	-59.9	153.1	165.6	-70.6	-176.6	-174.7	171.6	0	109.4	E230 P234 C235 V237 D246 A247	E230-K244 IonicContact OE1-NZ 2.82Å; E230-K244 PolarHBondContact OE1-NZ 2.02Å; E230-K244 IonicContact OE2-NZ 3.25Å; E230-K244 PolarHBondContact OE2-NZ 3.02Å; P234-K244 VanDerWaalsContact O-CD 3.23Å; P234-K244 WeakPolarHBondContact O-CD 3.25Å; P234-K244 WeakPolarHBondContact O-CE 3.31Å; P234-K244 PolarHBondContact O-NZ 3.31Å; C235-K244 PolarHBondContact O-N 3.17Å; V237-K244 HydrophobicContact CG2-CB 4.46Å; V237-K244 HydrophobicContact CG2-CG 3.6Å; K244-D246 PolarHBondContact O-N 3.17Å; K244-A247 HydrophobicContact CB-CB 4.29Å; K244-A247 WeakPolarHBondContact O-CB 3.32Å; K244-A247 PolarHBondContact O-N 2.79Å
245	A	88.6	Confident	89.2	Confident	117 Å²	117	63.9 Å²	63.9	97%	0.967	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.4	-171.8	0	0	0	0	0	114.4
246	D	89.4	Confident	88.9	Confident	127 Å²	127	69 Å²	69	68%	0.679	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	1.1	178.6	64.4	-38	0	0	0	114.1	K244	K244-D246 PolarHBondContact O-N 3.17Å
247	A	91.8	Very high	88.8	Confident	14 Å²	14	77.3 Å²	77.3	12%	0.116	43%	0.429	C	S	.	.			trans	-94.3	131.5	-179.9	0	0	0	0	0	111.9	C235 L243 K244 C258	C235-A247 HydrophobicContact CB-CB 3.97Å; L243-A247 HydrophobicContact CB-CB 4.12Å; L243-A247 HydrophobicContact CD2-CB 4.22Å; K244-A247 HydrophobicContact CB-CB 4.29Å; K244-A247 WeakPolarHBondContact O-CB 3.32Å; K244-A247 PolarHBondContact O-N 2.79Å; A247-C258 CarbonylContact C-O 3.59Å; A247-C258 WeakPolarHBondContact CA-O 3.35Å; A247-C258 HydrophobicContact CB-CB 3.7Å
248	Q	90.4	Very high	88.8	Confident	125 Å²	125	76.7 Å²	76.7	58%	0.584	43%	0.426	S	S	*	.	S	Bend	trans	-95.8	-19.5	172.1	-62.1	177.2	-36.6	0	0	112.4	C258	Q248-C258 PolarHBondContact N-O 3.23Å
249	C	90	Very high	88.8	Confident	15 Å²	15	84.1 Å²	84.1	10%	0.101	45%	0.45	C	S	.	.			trans	-154	165.4	179.8	59.4	0	0	0	0	109.6	C235 C255 C258 R259 C260	C235-C249 VanDerWaalsContact CB-O 3.31Å; C235-C249 WeakPolarHBondContact CB-O 3.41Å; C249-C255 HydrophobicContact CB-CB 3.72Å; C249-C255 WeakPolarHBondContact CB-SG 3.41Å; C249-C255 WeakPolarHBondContact SG-CA 3.36Å; C249-C255 WeakPolarHBondContact SG-CB 3.24Å; C249-C255 CovalentContact SG-SG 2.03Å; C249-C255 PolarHBondContact SG-SG 3.14Å; C249-C258 WeakPolarHBondContact O-CA 3.41Å; C249-C258 VanDerWaalsContact SG-C 3.53Å; C249-R259 PolarHBondContact SG-N 2.78Å; C249-R259 PolarHBondContact SG-O 3.46Å; C249-C260 VanDerWaalsContact CB-SG 3.55Å
250	S	90.7	Very high	88.7	Confident	18 Å²	18	79.8 Å²	79.8	13%	0.126	44%	0.436	C	S	.	.	S	Bend	trans	-118.9	-48.6	174.3	113.3	0	0	0	0	112.4	C221 D233	C221-S250 VanDerWaalsContact CB-OG 3.23Å; C221-S250 WeakPolarHBondContact CB-OG 2.97Å; D233-S250 WeakPolarHBondContact OD2-CB 3.15Å; D233-S250 PolarHBondContact OD2-OG 2.86Å
251	R	84.6	Confident	88.4	Confident	112 Å²	112	80.4 Å²	80.4	42%	0.423	44%	0.441	S	S	.	.	S	Bend	trans	-133.6	165.5	179	-67.7	179.7	179	156	1.4	112.1	D222 D233	D222-R251 PolarHBondContact O-NH1 3.12Å; D233-R251 IonicContact OD2-NE 3.24Å
252	G	82.2	Confident	87.7	Confident	55 Å²	55	85 Å²	85	57%	0.567	47%	0.471	S	S	*	.	S	Bend	trans	118.8	163	174.8	0	0	0	0	0	112.9	C254 C255	G252-C254 PolarHBondContact O-N 2.7Å; G252-C254 VanDerWaalsContact O-N 3.15Å; G252-C255 PolarHBondContact O-N 3.22Å
253	L	79.3	Confident	86.7	Confident	191 Å²	191	88.6 Å²	88.6	100%	1	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.7	-179.4	-64.8	172.6	0	0	0	113.1
254	C	82.9	Confident	86	Confident	89 Å²	89	97.3 Å²	97.3	60%	0.601	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	8.9	177.4	-58.8	0	0	0	0	113	G252 P261	G252-C254 PolarHBondContact O-N 2.7Å; G252-C254 VanDerWaalsContact O-N 3.15Å; C254-P261 WeakPolarHBondContact O-CD 3.41Å
255	C	87	Confident	85.4	Confident	28 Å²	28	99.6 Å²	99.6	19%	0.189	53%	0.534	C	S	.	.			trans	-108.1	113.4	177.9	-163.7	0	0	0	0	110.5	C249 G252	C249-C255 HydrophobicContact CB-CB 3.72Å; C249-C255 WeakPolarHBondContact CB-SG 3.41Å; C249-C255 WeakPolarHBondContact SG-CA 3.36Å; C249-C255 WeakPolarHBondContact SG-CB 3.24Å; C249-C255 CovalentContact SG-SG 2.03Å; C249-C255 PolarHBondContact SG-SG 3.14Å; G252-C255 PolarHBondContact O-N 3.22Å
256	D	89	Confident	85	Confident	112 Å²	112	98.3 Å²	98.3	60%	0.599	51%	0.509	S	S	*	.	B	Isolated β-bridge	trans	-120.1	119.5	171.8	-178	31.9	0	0	0	109.1	C258 R259	D256-C258 VanDerWaalsContact C-N 3.3Å; D256-C258 PolarHBondContact O-N 3.47Å; D256-R259 PolarHBondContact N-O 2.02Å; D256-R259 PolarHBondContact O-N 2.03Å
257	K	91.1	Very high	84.9	Confident	176 Å²	176	99 Å²	99	77%	0.765	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	51.3	-179.8	-61.6	173.2	-175.3	174.9	0	113	R259	K257-R259 PolarHBondContact O-N 3.47Å
258	C	92.4	Very high	84.6	Confident	19 Å²	19	101.2 Å²	101.2	13%	0.128	52%	0.522	C	S	.	.	T	Hydrogen-bonded Turn	trans	65	15.5	179.4	-41.2	0	0	0	0	115.1	C235 A247 Q248 C249 D256	C235-C258 WeakPolarHBondContact CA-SG 3.11Å; C235-C258 HydrophobicContact CB-CB 3.62Å; C235-C258 WeakPolarHBondContact CB-SG 3.35Å; C235-C258 WeakPolarHBondContact SG-CA 3.4Å; C235-C258 WeakPolarHBondContact SG-CB 3.23Å; C235-C258 PolarHBondContact SG-N 2.93Å; C235-C258 VanDerWaalsContact SG-N 3.44Å; C235-C258 CovalentContact SG-SG 2.02Å; C235-C258 PolarHBondContact SG-SG 3.44Å; A247-C258 CarbonylContact C-O 3.59Å; A247-C258 WeakPolarHBondContact CA-O 3.35Å; A247-C258 HydrophobicContact CB-CB 3.7Å; Q248-C258 PolarHBondContact N-O 3.23Å; C249-C258 WeakPolarHBondContact O-CA 3.41Å; C249-C258 VanDerWaalsContact SG-C 3.53Å; D256-C258 VanDerWaalsContact C-N 3.3Å; D256-C258 PolarHBondContact O-N 3.47Å
259	R	91.6	Very high	84.3	Confident	174 Å²	174	97.6 Å²	97.6	66%	0.657	52%	0.518	S	S	*	.	B	Isolated β-bridge	trans	-122.5	140.8	178.3	-64	-175.2	178.7	-165.7	-1.4	111	C249 D256 K257	C249-R259 PolarHBondContact SG-N 2.78Å; C249-R259 PolarHBondContact SG-O 3.46Å; D256-R259 PolarHBondContact N-O 2.02Å; D256-R259 PolarHBondContact O-N 2.03Å; K257-R259 PolarHBondContact O-N 3.47Å
260	C	83.9	Confident	84.1	Confident	58 Å²	58	102.9 Å²	102.9	39%	0.392	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-86	133.7	168.2	-71.8	0	0	0	0	108.4	C249	C249-C260 VanDerWaalsContact CB-SG 3.55Å
261	P	81.9	Confident	84	Confident	74 Å²	74	105.2 Å²	105.2	48%	0.481	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-61.1	147.8	163.6	29.7	-30.8	0	0	0	108	C254 N263	C254-P261 WeakPolarHBondContact O-CD 3.41Å; P261-N263 PolarHBondContact O-N 3.07Å
262	P	77.3	Confident	84.1	Confident	95 Å²	95	100.8 Å²	100.8	62%	0.617	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-56.5	139	175.3	22.2	-31.9	0	0	0	109.8	R264	P262-R264 WeakPolarHBondContact O-CG 3.09Å; P262-R264 PolarHBondContact O-N 3.04Å
263	N	72.1	Confident	84.1	Confident	171 Å²	171	99.7 Å²	99.7	91%	0.914	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-54.9	129.5	172.8	-86.9	-13.9	0	0	0	109.2	P261	P261-N263 PolarHBondContact O-N 3.07Å
264	R	76.5	Confident	84	Confident	221 Å²	221	99.6 Å²	99.6	83%	0.834	53%	0.528	S	S	*	.			trans	-121	130.7	174.6	-62.2	-175.6	-174.7	-159.5	-0.2	107.8	P262	P262-R264 WeakPolarHBondContact O-CG 3.09Å; P262-R264 PolarHBondContact O-N 3.04Å
265	H	80.9	Confident	83.9	Confident	101 Å²	101	105.9 Å²	105.9	47%	0.468	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-89.1	162.2	165.4	45.5	-90.8	0	0	0	110	L267 G283	H265-L267 PolarHBondContact O-N 2.81Å; H265-G283 VanDerWaalsContact CB-CA 3.46Å
266	I	80.8	Confident	83.7	Confident	89 Å²	89	109.5 Å²	109.5	46%	0.456	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-55.7	136.3	165	-68.1	177.2	0	0	0	108.3	N268 K270 C280	I266-N268 PolarHBondContact O-N 2.85Å; I266-K270 HydrophobicContact CG2-CB 3.49Å; I266-K270 VanDerWaalsContact CG2-CB 3.49Å; I266-K270 HydrophobicContact CG2-CD 3.27Å; I266-K270 HydrophobicContact CG2-CG 3.96Å; I266-C280 HydrophobicContact CB-CB 4.43Å; I266-C280 HydrophobicContact CG2-CB 4.14Å
267	L	86.4	Confident	83.2	Confident	143 Å²	143	108.2 Å²	108.2	75%	0.749	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-48.4	134.2	179.8	-173.8	74.2	0	0	0	111.5	H265 G269 K270	H265-L267 PolarHBondContact O-N 2.81Å; L267-G269 PolarHBondContact O-N 2.78Å; L267-K270 WeakPolarHBondContact O-CB 3.48Å; L267-K270 PolarHBondContact O-N 2.77Å; L267-K270 VanDerWaalsContact O-N 3.17Å
268	N	86.7	Confident	82.8	Confident	59 Å²	59	99.8 Å²	99.8	32%	0.316	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	135.6	175.1	-67.8	-5.1	0	0	0	110.6	I266 C280 Y281 N282	I266-N268 PolarHBondContact O-N 2.85Å; N268-C280 CarbonylContact C-O 3.55Å; N268-C280 VanDerWaalsContact CA-O 3.27Å; N268-C280 WeakPolarHBondContact CA-O 3.03Å; N268-Y281 HydrophobicContact CB-CD2 4.14Å; N268-Y281 WeakPolarHBondContact OD1-CA 3.5Å; N268-N282 PolarHBondContact ND2-OD1 3.04Å; N268-N282 PolarHBondContact OD1-N 2.9Å
269	G	82.9	Confident	82.5	Confident	49 Å²	49	105.4 Å²	105.4	51%	0.505	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-1.5	-177.6	0	0	0	0	0	115.5	L267 Y279 C280	L267-G269 PolarHBondContact O-N 2.78Å; G269-Y279 WeakPolarHBondContact O-CD1 3.25Å; G269-C280 PolarHBondContact N-O 2.84Å
270	K	86.2	Confident	82.1	Confident	126 Å²	126	97.6 Å²	97.6	55%	0.548	51%	0.505	S	S	.	.			trans	-70.6	140.7	169.4	-161.8	178.7	-173	-178	0	110.2	I266 L267 Y279 C280	I266-K270 HydrophobicContact CG2-CB 3.49Å; I266-K270 VanDerWaalsContact CG2-CB 3.49Å; I266-K270 HydrophobicContact CG2-CD 3.27Å; I266-K270 HydrophobicContact CG2-CG 3.96Å; L267-K270 WeakPolarHBondContact O-CB 3.48Å; L267-K270 PolarHBondContact O-N 2.77Å; L267-K270 VanDerWaalsContact O-N 3.17Å; K270-Y279 CarbonylContact O-C 3.53Å; K270-Y279 WeakPolarHBondContact O-CA 2.93Å; K270-C280 PolarHBondContact O-N 2.89Å
271	T	88.3	Confident	82.1	Confident	68 Å²	68	101.6 Å²	101.6	42%	0.417	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	143.5	175.4	56.9	0	0	0	0	111.3	G278 Y279	T271-G278 CarbonylContact C-O 3.57Å; T271-G278 VanDerWaalsContact CA-O 3.31Å; T271-G278 WeakPolarHBondContact CA-O 3.34Å; T271-Y279 HydrophobicContact CG2-CD1 4.3Å; T271-Y279 HydrophobicContact CG2-CE1 3.9Å
272	C	86.7	Confident	82.1	Confident	18 Å²	18	102.7 Å²	102.7	12%	0.122	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	176.9	179.6	62.8	0	0	0	0	111.1	N276 D277 G278 Y279 C280 C285	C272-N276 CarbonylContact O-C 3.55Å; C272-N276 VanDerWaalsContact O-CA 3.3Å; C272-N276 WeakPolarHBondContact O-CA 3.48Å; C272-D277 PolarHBondContact O-N 3.3Å; C272-G278 PolarHBondContact N-O 2.71Å; C272-G278 PolarHBondContact O-N 2.82Å; C272-G278 VanDerWaalsContact O-N 3.1Å; C272-Y279 PolarHBondContact SG-N 2.85Å; C272-Y279 VanDerWaalsContact SG-N 3.44Å; C272-C280 VanDerWaalsContact CB-SG 3.59Å; C272-C280 PolarHBondContact SG-N 3.19Å; C272-C285 HydrophobicContact CB-CB 3.88Å; C272-C285 WeakPolarHBondContact CB-SG 3.01Å; C272-C285 WeakPolarHBondContact SG-CA 3.31Å; C272-C285 WeakPolarHBondContact SG-CB 3.46Å; C272-C285 CovalentContact SG-SG 2.02Å; C272-C285 PolarHBondContact SG-SG 3.11Å
273	G	82	Confident	82.1	Confident	33 Å²	33	100.6 Å²	100.6	34%	0.34	51%	0.51	S	S	.	.	S	Bend	trans	84.6	161	-174.4	0	0	0	0	0	112.8	R275 N276 C285	G273-R275 PolarHBondContact O-N 2.84Å; G273-R275 VanDerWaalsContact O-N 3.11Å; G273-N276 PolarHBondContact O-N 3.25Å; G273-N276 VanDerWaalsContact O-N 3.11Å; G273-C285 PolarHBondContact N-SG 3.03Å; G273-C285 VanDerWaalsContact N-SG 3.41Å
274	L	78.5	Confident	82.5	Confident	188 Å²	188	97.5 Å²	97.5	98%	0.984	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.9	-175.1	-69.8	172.8	0	0	0	113.4
275	R	80.5	Confident	82.8	Confident	221 Å²	221	89.5 Å²	89.5	83%	0.834	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	9.5	-179.8	-62.2	-175.3	177.4	-164.6	0.5	113.4	G273 D277	G273-R275 PolarHBondContact O-N 2.84Å; G273-R275 VanDerWaalsContact O-N 3.11Å; R275-D277 HydrophobicContact CB-CB 4.3Å; R275-D277 PolarHBondContact O-N 2.03Å
276	N	82.2	Confident	83	Confident	104 Å²	104	89.6 Å²	89.6	56%	0.556	46%	0.463	S	S	*	.	S	Bend	trans	53.7	30.3	-171.7	-64.1	-46.8	0	0	0	113.2	C272 G273	C272-N276 CarbonylContact O-C 3.55Å; C272-N276 VanDerWaalsContact O-CA 3.3Å; C272-N276 WeakPolarHBondContact O-CA 3.48Å; G273-N276 PolarHBondContact O-N 3.25Å; G273-N276 VanDerWaalsContact O-N 3.11Å
277	D	79.4	Confident	82.9	Confident	85 Å²	85	87.5 Å²	87.5	46%	0.455	45%	0.451	S	S	.	.			trans	-94.7	-5.7	-176.4	63.2	-49.4	0	0	0	113.2	C272 R275 H287	C272-D277 PolarHBondContact O-N 3.3Å; R275-D277 HydrophobicContact CB-CB 4.3Å; R275-D277 PolarHBondContact O-N 2.03Å; D277-H287 IonicContact OD1-CE1 2.78Å; D277-H287 PolarHBondContact OD1-CE1 3.45Å; D277-H287 VanDerWaalsContact OD1-CE1 3.24Å; D277-H287 IonicContact OD1-ND1 2.89Å; D277-H287 PolarHBondContact OD1-ND1 3.49Å; D277-H287 IonicContact OD2-CE1 3.52Å; D277-H287 IonicContact OD2-ND1 2.84Å; D277-H287 PolarHBondContact OD2-ND1 3.44Å
278	G	82.8	Confident	82.2	Confident	0 Å²	0	82.1 Å²	82.1	0%	0	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	169	173	0	0	0	0	0	112.9	T271 C272 R286	T271-G278 CarbonylContact C-O 3.57Å; T271-G278 VanDerWaalsContact CA-O 3.31Å; T271-G278 WeakPolarHBondContact CA-O 3.34Å; C272-G278 PolarHBondContact N-O 2.71Å; C272-G278 PolarHBondContact O-N 2.82Å; C272-G278 VanDerWaalsContact O-N 3.1Å; G278-R286 CarbonylContact C-O 3.47Å; G278-R286 WeakPolarHBondContact CA-O 3.48Å
279	Y	84.9	Confident	81.4	Confident	136 Å²	136	81.1 Å²	81.1	53%	0.533	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136.5	173.5	-63.2	-85	0	0	0	111.1	G269 K270 T271 C272 Y281 R286	G269-Y279 WeakPolarHBondContact O-CD1 3.25Å; K270-Y279 CarbonylContact O-C 3.53Å; K270-Y279 WeakPolarHBondContact O-CA 2.93Å; T271-Y279 HydrophobicContact CG2-CD1 4.3Å; T271-Y279 HydrophobicContact CG2-CE1 3.9Å; C272-Y279 PolarHBondContact SG-N 2.85Å; C272-Y279 VanDerWaalsContact SG-N 3.44Å; Y279-Y281 PolarHBondContact O-N 3.41Å; Y279-R286 PolarHBondContact N-O 2.61Å; Y279-R286 WeakPolarHBondContact O-CB 3.44Å; Y279-R286 PolarHBondContact O-N 2.77Å
280	C	84.3	Confident	80.8	Confident	11 Å²	11	80.9 Å²	80.9	7%	0.074	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	132.9	173.8	-69.7	0	0	0	0	110	I266 N268 G269 K270 C272 E284	I266-C280 HydrophobicContact CB-CB 4.43Å; I266-C280 HydrophobicContact CG2-CB 4.14Å; N268-C280 CarbonylContact C-O 3.55Å; N268-C280 VanDerWaalsContact CA-O 3.27Å; N268-C280 WeakPolarHBondContact CA-O 3.03Å; G269-C280 PolarHBondContact N-O 2.84Å; K270-C280 PolarHBondContact O-N 2.89Å; C272-C280 VanDerWaalsContact CB-SG 3.59Å; C272-C280 PolarHBondContact SG-N 3.19Å; C280-E284 CarbonylContact C-O 3.48Å; C280-E284 VanDerWaalsContact CA-O 3.25Å; C280-E284 WeakPolarHBondContact CA-O 3.38Å
281	Y	82.8	Confident	80.2	Confident	141 Å²	141	76.4 Å²	76.4	55%	0.553	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.4	118.7	170.7	-165.3	-95.2	0	0	0	109.2	N268 Y279 G283 E284	N268-Y281 HydrophobicContact CB-CD2 4.14Å; N268-Y281 WeakPolarHBondContact OD1-CA 3.5Å; Y279-Y281 PolarHBondContact O-N 3.41Å; Y281-G283 PolarHBondContact O-N 3.25Å; Y281-G283 VanDerWaalsContact O-N 3.13Å; Y281-E284 PolarHBondContact N-O 3.24Å; Y281-E284 PolarHBondContact O-N 2.91Å
282	N	81.3	Confident	79	Confident	98 Å²	98	73.1 Å²	73.1	52%	0.524	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	34.2	-176.1	-67.9	-3.6	0	0	0	114.3	N268	N268-N282 PolarHBondContact ND2-OD1 3.04Å; N268-N282 PolarHBondContact OD1-N 2.9Å
283	G	78.6	Confident	78	Confident	51 Å²	51	75.9 Å²	75.9	53%	0.526	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-10.1	180	0	0	0	0	0	115.5	H265 Y281	H265-G283 VanDerWaalsContact CB-CA 3.46Å; Y281-G283 PolarHBondContact O-N 3.25Å; Y281-G283 VanDerWaalsContact O-N 3.13Å
284	E	80.6	Confident	77	Confident	105 Å²	105	79 Å²	79	49%	0.491	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	147.2	176.3	-65	177.4	-177.8	0	0	111.2	C280 Y281	C280-E284 CarbonylContact C-O 3.48Å; C280-E284 VanDerWaalsContact CA-O 3.25Å; C280-E284 WeakPolarHBondContact CA-O 3.38Å; Y281-E284 PolarHBondContact N-O 3.24Å; Y281-E284 PolarHBondContact O-N 2.91Å
285	C	82.8	Confident	76.3	Confident	53 Å²	53	74.9 Å²	74.9	36%	0.358	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	106.3	172	-172.6	0	0	0	0	110	C272 G273 H287	C272-C285 HydrophobicContact CB-CB 3.88Å; C272-C285 WeakPolarHBondContact CB-SG 3.01Å; C272-C285 WeakPolarHBondContact SG-CA 3.31Å; C272-C285 WeakPolarHBondContact SG-CB 3.46Å; C272-C285 CovalentContact SG-SG 2.02Å; C272-C285 PolarHBondContact SG-SG 3.11Å; G273-C285 PolarHBondContact N-SG 3.03Å; G273-C285 VanDerWaalsContact N-SG 3.41Å; C285-H287 PolarHBondContact SG-NE2 3.03Å
286	R	83.4	Confident	75.6	Confident	103 Å²	103	71 Å²	71	39%	0.389	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.9	179.9	-65.4	-66.3	-53.2	-159.1	0.9	110.3	G278 Y279 D291	G278-R286 CarbonylContact C-O 3.47Å; G278-R286 WeakPolarHBondContact CA-O 3.48Å; Y279-R286 PolarHBondContact N-O 2.61Å; Y279-R286 WeakPolarHBondContact O-CB 3.44Å; Y279-R286 PolarHBondContact O-N 2.77Å; R286-D291 IonicContact CZ-OD1 3.53Å; R286-D291 VanDerWaalsContact CZ-OD1 3.25Å; R286-D291 IonicContact CZ-OD2 3.19Å; R286-D291 IonicContact NE-OD1 3.51Å; R286-D291 PolarHBondContact NE-OD1 3.26Å; R286-D291 IonicContact NE-OD2 3.8Å; R286-D291 IonicContact NH2-OD1 2.76Å; R286-D291 PolarHBondContact NH2-OD1 2.69Å; R286-D291 IonicContact NH2-OD2 3.68Å; R286-D291 PolarHBondContact NH2-OD2 3.16Å
287	H	78.9	Confident	74.1	Confident	45 Å²	45	67.2 Å²	67.2	21%	0.208	35%	0.346	C	S	.	.			trans	-113.9	123.3	172.9	-67.8	-106.5	0	0	0	109	D277 C285 S289 A290 D291	D277-H287 IonicContact OD1-CE1 2.78Å; D277-H287 PolarHBondContact OD1-CE1 3.45Å; D277-H287 VanDerWaalsContact OD1-CE1 3.24Å; D277-H287 IonicContact OD1-ND1 2.89Å; D277-H287 PolarHBondContact OD1-ND1 3.49Å; D277-H287 IonicContact OD2-CE1 3.52Å; D277-H287 IonicContact OD2-ND1 2.84Å; D277-H287 PolarHBondContact OD2-ND1 3.44Å; C285-H287 PolarHBondContact SG-NE2 3.03Å; H287-S289 PolarHBondContact O-N 3.04Å; H287-S289 VanDerWaalsContact O-N 3.16Å; H287-A290 HydrophobicContact CB-CB 3.78Å; H287-A290 WeakPolarHBondContact O-CA 3.37Å; H287-A290 WeakPolarHBondContact O-CB 3.34Å; H287-A290 PolarHBondContact O-N 2.92Å; H287-D291 PolarHBondContact O-N 3.14Å
288	A	73.1	Confident	73.1	Confident	31 Å²	31	68.9 Å²	68.9	26%	0.256	36%	0.362	S	S	.	.	H	α-helix	trans	-60	-32.8	-179.6	0	0	0	0	0	112.9	D291 C292 H302	A288-D291 PolarHBondContact O-N 2.82Å; A288-C292 PolarHBondContact O-N 2.7Å; A288-C292 PolarHBondContact O-SG 3.12Å; A288-H302 HydrophobicContact CB-CB 3.77Å; A288-H302 WeakPolarHBondContact CB-ND1 3.38Å
289	S	68.6	Low	72	Confident	37 Å²	37	70.1 Å²	70.1	26%	0.259	37%	0.374	S	S	.	.	H	α-helix	trans	-68.9	-36.3	173.3	-65.4	0	0	0	0	112.6	H287 D291 C292 Q293 H302	H287-S289 PolarHBondContact O-N 3.04Å; H287-S289 VanDerWaalsContact O-N 3.16Å; S289-D291 VanDerWaalsContact C-N 3.34Å; S289-C292 WeakPolarHBondContact O-CB 3.38Å; S289-C292 PolarHBondContact O-N 2.95Å; S289-Q293 WeakPolarHBondContact O-CG 3.4Å; S289-Q293 PolarHBondContact O-N 3.05Å; S289-H302 WeakPolarHBondContact OG-CB 3.45Å; S289-H302 PolarHBondContact OG-N 3.44Å
290	A	70.2	Confident	70.6	Confident	45 Å²	45	64.8 Å²	64.8	37%	0.372	36%	0.355	S	S	.	.	H	α-helix	trans	-67	-41.2	174.7	0	0	0	0	0	110.3	H287 C292 Q293 E294	H287-A290 HydrophobicContact CB-CB 3.78Å; H287-A290 WeakPolarHBondContact O-CA 3.37Å; H287-A290 WeakPolarHBondContact O-CB 3.34Å; H287-A290 PolarHBondContact O-N 2.92Å; A290-C292 VanDerWaalsContact C-N 3.27Å; A290-C292 PolarHBondContact O-N 3.45Å; A290-Q293 PolarHBondContact O-N 3.34Å; A290-Q293 VanDerWaalsContact O-N 3.11Å; A290-E294 WeakPolarHBondContact O-CB 3.38Å; A290-E294 PolarHBondContact O-N 3.33Å
291	D	73.4	Confident	69.4	Low	31 Å²	31	68.6 Å²	68.6	17%	0.166	37%	0.37	C	S	.	.	H	α-helix	trans	-59.4	-40.5	174.3	-57.5	-10	0	0	0	111	R286 H287 A288 S289 E294 I295	R286-D291 IonicContact CZ-OD1 3.53Å; R286-D291 VanDerWaalsContact CZ-OD1 3.25Å; R286-D291 IonicContact CZ-OD2 3.19Å; R286-D291 IonicContact NE-OD1 3.51Å; R286-D291 PolarHBondContact NE-OD1 3.26Å; R286-D291 IonicContact NE-OD2 3.8Å; R286-D291 IonicContact NH2-OD1 2.76Å; R286-D291 PolarHBondContact NH2-OD1 2.69Å; R286-D291 IonicContact NH2-OD2 3.68Å; R286-D291 PolarHBondContact NH2-OD2 3.16Å; H287-D291 PolarHBondContact O-N 3.14Å; A288-D291 PolarHBondContact O-N 2.82Å; S289-D291 VanDerWaalsContact C-N 3.34Å; D291-E294 PolarHBondContact O-N 3.24Å; D291-I295 WeakPolarHBondContact O-CB 3.36Å; D291-I295 WeakPolarHBondContact O-CD1 3.4Å; D291-I295 WeakPolarHBondContact O-CG1 3.13Å; D291-I295 PolarHBondContact O-N 3.17Å
292	C	64.5	Low	68.3	Low	0 Å²	0	64.5 Å²	64.5	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-61.3	-45.6	172.9	-81.9	0	0	0	0	113.1	A288 S289 A290 E294 I295 W296 M300 C333 C335	A288-C292 PolarHBondContact O-N 2.7Å; A288-C292 PolarHBondContact O-SG 3.12Å; S289-C292 WeakPolarHBondContact O-CB 3.38Å; S289-C292 PolarHBondContact O-N 2.95Å; A290-C292 VanDerWaalsContact C-N 3.27Å; A290-C292 PolarHBondContact O-N 3.45Å; C292-E294 VanDerWaalsContact C-N 3.32Å; C292-I295 PolarHBondContact O-N 3.46Å; C292-W296 WeakPolarHBondContact O-CB 3.23Å; C292-W296 PolarHBondContact O-N 2.79Å; C292-M300 HydrophobicContact CB-CB 4.48Å; C292-C333 PolarHBondContact SG-SG 3.36Å; C292-C335 WeakPolarHBondContact CA-SG 3.1Å; C292-C335 HydrophobicContact CB-CB 3.61Å; C292-C335 WeakPolarHBondContact CB-SG 3.2Å; C292-C335 VanDerWaalsContact SG-CA 3.52Å; C292-C335 WeakPolarHBondContact SG-CB 3.43Å; C292-C335 CovalentContact SG-SG 2.02Å; C292-C335 PolarHBondContact SG-SG 2.73Å
293	Q	64.4	Low	67.4	Low	75 Å²	75	64 Å²	64	35%	0.35	35%	0.347	S	S	.	.	H	α-helix	trans	-67.8	-35.7	178.9	-67.2	176.9	4.7	0	0	111.8	S289 A290 G297 M300	S289-Q293 WeakPolarHBondContact O-CG 3.4Å; S289-Q293 PolarHBondContact O-N 3.05Å; A290-Q293 PolarHBondContact O-N 3.34Å; A290-Q293 VanDerWaalsContact O-N 3.11Å; Q293-G297 WeakPolarHBondContact CA-O 3.42Å; Q293-G297 CarbonylContact O-C 3.55Å; Q293-G297 WeakPolarHBondContact O-CA 3.35Å; Q293-G297 PolarHBondContact O-N 3.46Å; Q293-M300 WeakPolarHBondContact CG-O 3.24Å
294	E	62.6	Low	66.2	Low	98 Å²	98	64 Å²	64	46%	0.458	34%	0.343	S	S	.	.	H	α-helix	trans	-64.8	-43	175.9	-172.5	-175.7	176.4	0	0	111.1	H111 A290 D291 C292	H111-E294 IonicContact CE1-OE1 3.13Å; H111-E294 PolarHBondContact CE1-OE1 2.02Å; H111-E294 IonicContact CG-OE1 2.92Å; H111-E294 IonicContact ND1-OE1 2.61Å; H111-E294 PolarHBondContact ND1-OE1 2.85Å; A290-E294 WeakPolarHBondContact O-CB 3.38Å; A290-E294 PolarHBondContact O-N 3.33Å; D291-E294 PolarHBondContact O-N 3.24Å; C292-E294 VanDerWaalsContact C-N 3.32Å
295	I	62	Low	64.8	Low	103 Å²	103	66.9 Å²	66.9	53%	0.528	35%	0.35	S	S	.	.	H	α-helix	trans	-78.4	-40.5	-176.7	-65	165.9	0	0	0	111.9	D291 C292	D291-I295 WeakPolarHBondContact O-CB 3.36Å; D291-I295 WeakPolarHBondContact O-CD1 3.4Å; D291-I295 WeakPolarHBondContact O-CG1 3.13Å; D291-I295 PolarHBondContact O-N 3.17Å; C292-I295 PolarHBondContact O-N 3.46Å
296	W	66	Low	63.1	Low	140 Å²	140	68.8 Å²	68.8	53%	0.53	36%	0.356	S	S	.	.	H	α-helix	trans	-114.9	-7.2	-167.5	-57.9	106.1	0	0	0	114.6	C292 M300 C335	C292-W296 WeakPolarHBondContact O-CB 3.23Å; C292-W296 PolarHBondContact O-N 2.79Å; W296-M300 HydrophobicContact CB-CB 3.84Å; W296-M300 HydrophobicContact CB-CE 3.8Å; W296-M300 HydrophobicContact CB-CG 3.46Å; W296-M300 VanDerWaalsContact CB-CG 3.46Å; W296-M300 HydrophobicContact CB-SD 4.25Å; W296-M300 HydrophobicContact CG-CE 3.99Å; W296-C335 VanDerWaalsContact CD1-CB 3.48Å; W296-C335 HydrophobicContact CG-CB 4.36Å; W296-C335 PolarHBondContact NE1-SG 3.46Å; W296-C335 VanDerWaalsContact NE1-SG 3.37Å
297	G	50.9	Low	61.6	Low	23 Å²	23	67.9 Å²	67.9	24%	0.237	36%	0.358	C	S	.	.			trans	95.8	176.7	-179.2	0	0	0	0	0	114.6	Q293 M300	Q293-G297 WeakPolarHBondContact CA-O 3.42Å; Q293-G297 CarbonylContact O-C 3.55Å; Q293-G297 WeakPolarHBondContact O-CA 3.35Å; Q293-G297 PolarHBondContact O-N 3.46Å; G297-M300 WeakPolarHBondContact O-CB 3.26Å; G297-M300 WeakPolarHBondContact O-CG 3.5Å; G297-M300 PolarHBondContact O-N 2.94Å
298	P	59.7	Low	60.2	Low	120 Å²	120	66.5 Å²	66.5	78%	0.779	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	143.1	-179.3	-22.6	32.7	0	0	0	112.8
299	G	58.2	Low	58.9	Low	26 Å²	26	68.3 Å²	68.3	27%	0.268	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	-2.8	179.9	0	0	0	0	0	115	F301 S338	G299-F301 WeakPolarHBondContact O-CD2 3.24Å; G299-S338 PolarHBondContact O-N 2.84Å; G299-S338 PolarHBondContact O-OG 3.03Å
300	M	55.3	Low	58	Low	25 Å²	25	71 Å²	71	12%	0.123	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118.1	178.9	-62.1	-66.8	-58.2	0	0	110.2	C292 Q293 W296 G297 C335 D336 V337	C292-M300 HydrophobicContact CB-CB 4.48Å; Q293-M300 WeakPolarHBondContact CG-O 3.24Å; W296-M300 HydrophobicContact CB-CB 3.84Å; W296-M300 HydrophobicContact CB-CE 3.8Å; W296-M300 HydrophobicContact CB-CG 3.46Å; W296-M300 VanDerWaalsContact CB-CG 3.46Å; W296-M300 HydrophobicContact CB-SD 4.25Å; W296-M300 HydrophobicContact CG-CE 3.99Å; G297-M300 WeakPolarHBondContact O-CB 3.26Å; G297-M300 WeakPolarHBondContact O-CG 3.5Å; G297-M300 PolarHBondContact O-N 2.94Å; M300-C335 HydrophobicContact CB-CB 4.45Å; M300-C335 HydrophobicContact CE-CB 3.69Å; M300-D336 CarbonylContact C-O 3.51Å; M300-D336 VanDerWaalsContact CA-O 3.31Å; M300-D336 WeakPolarHBondContact CA-O 3.4Å; M300-V337 HydrophobicContact CE-CG2 4.12Å; M300-V337 HydrophobicContact SD-CB 4.12Å; M300-V337 HydrophobicContact SD-CG2 3.46Å; M300-V337 WeakPolarHBondContact SD-CG2 3.47Å
301	F	60.5	Low	57.1	Low	90 Å²	90	71.9 Å²	71.9	40%	0.395	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	150	-176.6	-67.3	-87.6	0	0	0	111.4	G299 Y303 C335 D336 S338	G299-F301 WeakPolarHBondContact O-CD2 3.24Å; F301-Y303 PolarHBondContact O-N 2.91Å; F301-C335 CarbonylContact O-C 3.55Å; F301-C335 VanDerWaalsContact O-CA 3.31Å; F301-C335 WeakPolarHBondContact O-CA 3.12Å; F301-D336 PolarHBondContact N-O 2.9Å; F301-D336 PolarHBondContact O-N 2.78Å; F301-S338 WeakPolarHBondContact CD2-OG 3.46Å; F301-S338 WeakPolarHBondContact CE2-OG 3.45Å
302	H	58.7	Low	55.8	Low	56 Å²	56	71.8 Å²	71.8	26%	0.259	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	126.5	178.1	-179.5	-138	0	0	0	110.9	A288 S289 F334	A288-H302 HydrophobicContact CB-CB 3.77Å; A288-H302 WeakPolarHBondContact CB-ND1 3.38Å; S289-H302 WeakPolarHBondContact OG-CB 3.45Å; S289-H302 PolarHBondContact OG-N 3.44Å; H302-F334 PolarHBondContact CD2-O 2.5Å
303	Y	61.8	Low	55	Low	86 Å²	86	78.4 Å²	78.4	34%	0.337	40%	0.399	S	S	.	.			trans	-109.5	82.9	-177.5	-152.1	-91.2	0	0	0	110.6	F301 Y305 L306 I307 F334 D336	F301-Y303 PolarHBondContact O-N 2.91Å; Y303-Y305 PolarHBondContact O-N 2.93Å; Y303-L306 HydrophobicContact CE1-CB 3.9Å; Y303-I307 HydrophobicContact CD1-CD1 4.05Å; Y303-I307 HydrophobicContact CD1-CG1 4.09Å; Y303-I307 HydrophobicContact CE1-CD1 4.2Å; Y303-I307 HydrophobicContact CE1-CG1 4Å; Y303-F334 PolarHBondContact N-O 3.43Å; Y303-D336 HydrophobicContact CD2-CB 3.56Å; Y303-D336 WeakPolarHBondContact CD2-OD2 3.23Å; Y303-D336 HydrophobicContact CE2-CB 4.34Å; Y303-D336 VanDerWaalsContact CE2-OD2 3.29Å; Y303-D336 WeakPolarHBondContact CE2-OD2 3.13Å; Y303-D336 HydrophobicContact CG-CB 4.01Å
304	A	54.5	Low	54.2	Low	53 Å²	53	78.7 Å²	78.7	44%	0.438	41%	0.409	S	S	.	.			trans	-83.3	-4.9	-168.7	0	0	0	0	0	115.9
305	Y	50.2	Low	53.3	Low	165 Å²	165	76.8 Å²	76.8	65%	0.647	40%	0.404	S	S	*	.	S	Bend	trans	-123.6	-50.9	-160.4	-158.5	-109.6	0	0	0	117.4	Y303	Y303-Y305 PolarHBondContact O-N 2.93Å
306	L	48.4	Very low	52.1	Low	92 Å²	92	74.8 Å²	74.8	48%	0.482	41%	0.409	S	S	.	.	H	α-helix	trans	-95.7	-34.4	-168.7	-86.5	96.7	0	0	0	116.1	Y303 T310	Y303-L306 HydrophobicContact CE1-CB 3.9Å; L306-T310 PolarHBondContact O-N 3.33Å; L306-T310 PolarHBondContact O-OG1 3.11Å
307	I	51.4	Low	50.6	Low	84 Å²	84	70.2 Å²	70.2	43%	0.431	40%	0.401	S	S	.	.	H	α-helix	trans	-76	-36.7	-174.6	-65.3	172.6	0	0	0	111.2	Y303 Q309 T310 L311	Y303-I307 HydrophobicContact CD1-CD1 4.05Å; Y303-I307 HydrophobicContact CD1-CG1 4.09Å; Y303-I307 HydrophobicContact CE1-CD1 4.2Å; Y303-I307 HydrophobicContact CE1-CG1 4Å; I307-Q309 PolarHBondContact O-N 3.36Å; I307-T310 PolarHBondContact O-N 2.81Å; I307-T310 VanDerWaalsContact O-N 3.12Å; I307-L311 HydrophobicContact CG2-CD1 3.63Å; I307-L311 HydrophobicContact CG2-CG 4.08Å; I307-L311 WeakPolarHBondContact O-CB 3.31Å; I307-L311 VanDerWaalsContact O-CG 3.29Å; I307-L311 WeakPolarHBondContact O-CG 3.15Å; I307-L311 PolarHBondContact O-N 3.01Å
308	L	50.1	Low	50	Low	17 Å²	17	74.3 Å²	74.3	9%	0.089	43%	0.426	C	S	.	.	H	α-helix	trans	-65.6	-39.9	177	-147	86.1	0	0	0	111.5	L311 L312 F325 L328 F334	L308-L311 PolarHBondContact O-N 3.47Å; L308-L312 HydrophobicContact CD2-CD1 4.11Å; L308-L312 HydrophobicContact CG-CD1 4.08Å; L308-L312 VanDerWaalsContact O-CB 3.29Å; L308-L312 WeakPolarHBondContact O-CB 3.39Å; L308-L312 WeakPolarHBondContact O-CD1 3.33Å; L308-L312 WeakPolarHBondContact O-CG 3.38Å; L308-L312 PolarHBondContact O-N 3.32Å; L308-F325 HydrophobicContact CD2-CD1 4.13Å; L308-L328 HydrophobicContact CD1-CB 4.49Å; L308-L328 HydrophobicContact CD2-CB 3.81Å; L308-L328 HydrophobicContact CD2-CD1 4.05Å; L308-L328 HydrophobicContact CG-CD1 4.45Å; L308-F334 HydrophobicContact CD1-CD2 4.02Å; L308-F334 HydrophobicContact CD1-CE2 3.52Å; L308-F334 HydrophobicContact CD1-CZ 4.08Å
309	Q	45.9	Very low	48.9	Very low	69 Å²	69	75.1 Å²	75.1	32%	0.322	43%	0.428	S	S	.	.	H	α-helix	trans	-60.8	-44.5	169.9	-85.2	-171.8	-14.2	0	0	111.1	I307 L311 L312 H313 F325	I307-Q309 PolarHBondContact O-N 3.36Å; Q309-L311 VanDerWaalsContact C-N 3.34Å; Q309-L311 PolarHBondContact O-N 2.85Å; Q309-L312 PolarHBondContact O-N 3.32Å; Q309-H313 WeakPolarHBondContact O-CB 3.45Å; Q309-H313 PolarHBondContact O-N 2.85Å; Q309-H313 PolarHBondContact O-ND1 3.15Å; Q309-F325 HydrophobicContact CG-CE1 4.32Å
310	T	50.1	Low	47.6	Very low	94 Å²	94	75.1 Å²	75.1	58%	0.577	43%	0.426	S	S	*	.	H	α-helix	trans	-67.9	-35	-178.3	-45.8	0	0	0	0	112.2	L306 I307 S314	L306-T310 PolarHBondContact O-N 3.33Å; L306-T310 PolarHBondContact O-OG1 3.11Å; I307-T310 PolarHBondContact O-N 2.81Å; I307-T310 VanDerWaalsContact O-N 3.12Å; T310-S314 WeakPolarHBondContact O-CB 3.02Å; T310-S314 PolarHBondContact O-N 3.15Å; T310-S314 VanDerWaalsContact O-N 3.11Å; T310-S314 PolarHBondContact O-OG 3.36Å
311	L	50.2	Low	46.4	Very low	63 Å²	63	78 Å²	78	33%	0.33	44%	0.442	S	S	.	.	H	α-helix	trans	-73.1	-32.9	174.9	-71.4	168.7	0	0	0	112.9	I307 L308 Q309 S314 T315 F395	I307-L311 HydrophobicContact CG2-CD1 3.63Å; I307-L311 HydrophobicContact CG2-CG 4.08Å; I307-L311 WeakPolarHBondContact O-CB 3.31Å; I307-L311 VanDerWaalsContact O-CG 3.29Å; I307-L311 WeakPolarHBondContact O-CG 3.15Å; I307-L311 PolarHBondContact O-N 3.01Å; L308-L311 PolarHBondContact O-N 3.47Å; Q309-L311 VanDerWaalsContact C-N 3.34Å; Q309-L311 PolarHBondContact O-N 2.85Å; L311-S314 PolarHBondContact O-OG 3.3Å; L311-T315 VanDerWaalsContact O-CG2 3.31Å; L311-T315 WeakPolarHBondContact O-CG2 3.01Å; L311-T315 PolarHBondContact O-OG1 3.07Å; L311-T315 VanDerWaalsContact O-OG1 3.1Å; L311-F395 HydrophobicContact CD2-CZ 4.03Å
312	L	47.2	Very low	45.1	Very low	28 Å²	28	78.7 Å²	78.7	15%	0.147	45%	0.45	C	S	.	.	H	α-helix	trans	-80.4	-33.3	176.3	-76.1	159.5	0	0	0	112.6	L308 Q309 T315 F325 L328	L308-L312 HydrophobicContact CD2-CD1 4.11Å; L308-L312 HydrophobicContact CG-CD1 4.08Å; L308-L312 VanDerWaalsContact O-CB 3.29Å; L308-L312 WeakPolarHBondContact O-CB 3.39Å; L308-L312 WeakPolarHBondContact O-CD1 3.33Å; L308-L312 WeakPolarHBondContact O-CG 3.38Å; L308-L312 PolarHBondContact O-N 3.32Å; Q309-L312 PolarHBondContact O-N 3.32Å; L312-T315 WeakPolarHBondContact CA-OG1 3.48Å; L312-T315 PolarHBondContact O-OG1 3.29Å; L312-F325 HydrophobicContact CD1-CD1 3.97Å; L312-F325 HydrophobicContact CD1-CE1 3.4Å; L312-F325 VanDerWaalsContact CD1-CE1 3.4Å; L312-F325 HydrophobicContact CD1-CE2 4.43Å; L312-F325 HydrophobicContact CD1-CZ 3.67Å; L312-L328 HydrophobicContact CD1-CD1 3.81Å; L312-L328 HydrophobicContact CD2-CD1 4.01Å; L312-L328 HydrophobicContact CG-CD1 4.29Å
313	H	46.9	Very low	43.6	Very low	140 Å²	140	82.3 Å²	82.3	65%	0.648	47%	0.469	S	S	*	.	H	α-helix	trans	-73.9	-29	174	-71.3	97.2	0	0	0	112.2	Q309 T315	Q309-H313 WeakPolarHBondContact O-CB 3.45Å; Q309-H313 PolarHBondContact O-N 2.85Å; Q309-H313 PolarHBondContact O-ND1 3.15Å; H313-T315 VanDerWaalsContact C-N 3.3Å; H313-T315 PolarHBondContact O-N 3.02Å
314	S	46.7	Very low	42.1	Very low	80 Å²	80	81.1 Å²	81.1	56%	0.559	47%	0.472	S	S	*	.	H	α-helix	trans	-75.4	-16.8	175.9	74.9	0	0	0	0	113.9	T310 L311	T310-S314 WeakPolarHBondContact O-CB 3.02Å; T310-S314 PolarHBondContact O-N 3.15Å; T310-S314 VanDerWaalsContact O-N 3.11Å; T310-S314 PolarHBondContact O-OG 3.36Å; L311-S314 PolarHBondContact O-OG 3.3Å
315	T	43.9	Very low	40.9	Very low	58 Å²	58	81.2 Å²	81.2	36%	0.356	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	6.6	-179.5	48.3	0	0	0	0	113.8	L311 L312 H313 A317 L391	L311-T315 VanDerWaalsContact O-CG2 3.31Å; L311-T315 WeakPolarHBondContact O-CG2 3.01Å; L311-T315 PolarHBondContact O-OG1 3.07Å; L311-T315 VanDerWaalsContact O-OG1 3.1Å; L312-T315 WeakPolarHBondContact CA-OG1 3.48Å; L312-T315 PolarHBondContact O-OG1 3.29Å; H313-T315 VanDerWaalsContact C-N 3.3Å; H313-T315 PolarHBondContact O-N 3.02Å; T315-A317 PolarHBondContact O-N 3.38Å; T315-L391 HydrophobicContact CG2-CD2 3.44Å; T315-L391 VanDerWaalsContact CG2-CD2 3.44Å
316	G	37.7	Very low	39.9	Very low	62 Å²	62	80.8 Å²	80.8	64%	0.639	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	16.6	179.3	0	0	0	0	0	113.4	S318	G316-S318 PolarHBondContact O-N 3.21Å
317	A	35.2	Very low	39.3	Very low	43 Å²	43	81.2 Å²	81.2	36%	0.355	46%	0.462	S	S	.	.			trans	-74.4	66.9	173.6	0	0	0	0	0	109.7	T315 V319	T315-A317 PolarHBondContact O-N 3.38Å; A317-V319 PolarHBondContact O-N 3.44Å; A317-V319 VanDerWaalsContact O-N 3.11Å
318	S	36.8	Very low	38.7	Very low	109 Å²	109	80.3 Å²	80.3	76%	0.762	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	113.9	163	57.9	0	0	0	0	106.8	G316	G316-S318 PolarHBondContact O-N 3.21Å
319	V	37	Very low	38.5	Very low	137 Å²	137	83.6 Å²	83.6	83%	0.83	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	53.7	-179	-154.2	0	0	0	0	115	A317 N321	A317-V319 PolarHBondContact O-N 3.44Å; A317-V319 VanDerWaalsContact O-N 3.11Å; V319-N321 PolarHBondContact O-N 2.88Å
320	A	31.7	Very low	38.6	Very low	27 Å²	27	88.1 Å²	88.1	22%	0.223	50%	0.498	C	S	.	.			trans	-67.1	112.6	151.8	0	0	0	0	0	108.2	C324 F325	A320-C324 HydrophobicContact CB-CB 4.28Å; A320-F325 HydrophobicContact CB-CD2 4.2Å; A320-F325 HydrophobicContact CB-CE2 3.76Å; A320-F325 HydrophobicContact CB-CZ 4.5Å
321	N	29.9	Very low	38.5	Very low	86 Å²	86	86.5 Å²	86.5	46%	0.46	50%	0.5	S	S	.	.			trans	-63.8	159.9	175.9	61.9	7	0	0	0	111	V319 M323 C324 F325	V319-N321 PolarHBondContact O-N 2.88Å; N321-M323 PolarHBondContact O-N 3.18Å; N321-M323 WeakPolarHBondContact OD1-CB 3.23Å; N321-C324 PolarHBondContact O-N 3.36Å; N321-C324 WeakPolarHBondContact OD1-CB 2.96Å; N321-C324 PolarHBondContact OD1-N 3.1Å; N321-F325 PolarHBondContact O-N 2.76Å
322	D	33.2	Very low	38.5	Very low	104 Å²	104	87.7 Å²	87.7	56%	0.556	51%	0.509	S	S	*	.	H	α-helix	trans	-52.1	-27	175.5	-166.2	52.5	0	0	0	112	R326	D322-R326 VanDerWaalsContact O-CG 3.3Å; D322-R326 WeakPolarHBondContact O-CG 3.39Å; D322-R326 PolarHBondContact O-N 2.89Å; D322-R326 VanDerWaalsContact O-N 3.08Å; D322-R326 IonicContact OD2-CZ 3.55Å; D322-R326 IonicContact OD2-NE 3.88Å; D322-R326 PolarHBondContact OD2-NE 3.49Å; D322-R326 IonicContact OD2-NH2 3.64Å; D322-R326 PolarHBondContact OD2-NH2 3.2Å; D322-R326 VanDerWaalsContact OD2-NH2 3.14Å
323	M	27.8	Very low	38.6	Very low	132 Å²	132	88.6 Å²	88.6	65%	0.65	52%	0.518	S	S	*	.	H	α-helix	trans	-67	-42.1	176.6	-157.7	171.9	-175.4	0	0	113	N321 R326 I327	N321-M323 PolarHBondContact O-N 3.18Å; N321-M323 WeakPolarHBondContact OD1-CB 3.23Å; M323-R326 PolarHBondContact O-N 3.17Å; M323-I327 HydrophobicContact CG-CD1 4.44Å; M323-I327 WeakPolarHBondContact O-CD1 3.44Å; M323-I327 VanDerWaalsContact O-CG1 3.25Å; M323-I327 WeakPolarHBondContact O-CG1 2.98Å; M323-I327 PolarHBondContact O-N 3.36Å
324	C	28.3	Very low	38.9	Very low	60 Å²	60	85.6 Å²	85.6	41%	0.405	50%	0.503	S	S	.	.	H	α-helix	trans	-67.1	-38.3	176.2	-114.5	0	0	0	0	112	A320 N321 R326 I327 L328	A320-C324 HydrophobicContact CB-CB 4.28Å; N321-C324 PolarHBondContact O-N 3.36Å; N321-C324 WeakPolarHBondContact OD1-CB 2.96Å; N321-C324 PolarHBondContact OD1-N 3.1Å; C324-R326 VanDerWaalsContact C-N 3.35Å; C324-I327 PolarHBondContact O-N 2.98Å; C324-L328 PolarHBondContact O-N 3.21Å
325	F	29.6	Very low	39	Very low	56 Å²	56	83.2 Å²	83.2	25%	0.246	49%	0.486	C	S	.	.	H	α-helix	trans	-63	-41.1	174.6	-83.5	-80.5	0	0	0	111.8	L308 Q309 L312 A320 N321 N329	L308-F325 HydrophobicContact CD2-CD1 4.13Å; Q309-F325 HydrophobicContact CG-CE1 4.32Å; L312-F325 HydrophobicContact CD1-CD1 3.97Å; L312-F325 HydrophobicContact CD1-CE1 3.4Å; L312-F325 VanDerWaalsContact CD1-CE1 3.4Å; L312-F325 HydrophobicContact CD1-CE2 4.43Å; L312-F325 HydrophobicContact CD1-CZ 3.67Å; A320-F325 HydrophobicContact CB-CD2 4.2Å; A320-F325 HydrophobicContact CB-CE2 3.76Å; A320-F325 HydrophobicContact CB-CZ 4.5Å; N321-F325 PolarHBondContact O-N 2.76Å; F325-N329 PolarHBondContact O-N 3.14Å; F325-N329 VanDerWaalsContact O-N 3.17Å
326	R	30.1	Very low	39.2	Very low	156 Å²	156	83.7 Å²	83.7	59%	0.589	49%	0.486	S	S	*	.	H	α-helix	trans	-64.3	-41	174.2	-72	172.2	-173.1	-103.7	0	112.4	D322 M323 C324 N329 M330	D322-R326 VanDerWaalsContact O-CG 3.3Å; D322-R326 WeakPolarHBondContact O-CG 3.39Å; D322-R326 PolarHBondContact O-N 2.89Å; D322-R326 VanDerWaalsContact O-N 3.08Å; D322-R326 IonicContact OD2-CZ 3.55Å; D322-R326 IonicContact OD2-NE 3.88Å; D322-R326 PolarHBondContact OD2-NE 3.49Å; D322-R326 IonicContact OD2-NH2 3.64Å; D322-R326 PolarHBondContact OD2-NH2 3.2Å; D322-R326 VanDerWaalsContact OD2-NH2 3.14Å; M323-R326 PolarHBondContact O-N 3.17Å; C324-R326 VanDerWaalsContact C-N 3.35Å; R326-N329 PolarHBondContact O-N 2.91Å; R326-M330 VanDerWaalsContact O-CG 3.29Å; R326-M330 WeakPolarHBondContact O-CG 3.25Å; R326-M330 PolarHBondContact O-N 3Å
327	I	35.4	Very low	39.3	Very low	101 Å²	101	83.7 Å²	83.7	52%	0.518	47%	0.474	S	S	.	.	H	α-helix	trans	-64.6	-42.5	178.2	-68.8	164.1	0	0	0	111.4	M323 C324 N329 M330 G331	M323-I327 HydrophobicContact CG-CD1 4.44Å; M323-I327 WeakPolarHBondContact O-CD1 3.44Å; M323-I327 VanDerWaalsContact O-CG1 3.25Å; M323-I327 WeakPolarHBondContact O-CG1 2.98Å; M323-I327 PolarHBondContact O-N 3.36Å; C324-I327 PolarHBondContact O-N 2.98Å; I327-N329 VanDerWaalsContact C-N 3.34Å; I327-N329 PolarHBondContact O-N 3.36Å; I327-M330 WeakPolarHBondContact O-CB 3.02Å; I327-M330 PolarHBondContact O-N 2.93Å; I327-G331 PolarHBondContact O-N 3.29Å
328	L	38.7	Very low	39.7	Very low	65 Å²	65	84.5 Å²	84.5	34%	0.34	48%	0.477	S	S	.	.	H	α-helix	trans	-66.6	-36.2	178.5	-74	168.7	0	0	0	112.4	L308 L312 C324 M330 G331	L308-L328 HydrophobicContact CD1-CB 4.49Å; L308-L328 HydrophobicContact CD2-CB 3.81Å; L308-L328 HydrophobicContact CD2-CD1 4.05Å; L308-L328 HydrophobicContact CG-CD1 4.45Å; L312-L328 HydrophobicContact CD1-CD1 3.81Å; L312-L328 HydrophobicContact CD2-CD1 4.01Å; L312-L328 HydrophobicContact CG-CD1 4.29Å; C324-L328 PolarHBondContact O-N 3.21Å; L328-M330 PolarHBondContact O-N 3.2Å; L328-G331 PolarHBondContact O-N 3.03Å
329	N	46.8	Very low	39.4	Very low	86 Å²	86	88.6 Å²	88.6	46%	0.46	48%	0.476	S	S	.	.	H	α-helix	trans	-67.2	-13.4	171.4	-79.7	-18.4	0	0	0	113.7	F325 R326 I327	F325-N329 PolarHBondContact O-N 3.14Å; F325-N329 VanDerWaalsContact O-N 3.17Å; R326-N329 PolarHBondContact O-N 2.91Å; I327-N329 VanDerWaalsContact C-N 3.34Å; I327-N329 PolarHBondContact O-N 3.36Å
330	M	47.3	Very low	39.2	Very low	164 Å²	164	87.6 Å²	87.6	81%	0.808	47%	0.47	S	S	*	.	H	α-helix	trans	-98.5	-17.5	177.7	-72.1	175	166	0	0	113.4	R326 I327 L328	R326-M330 VanDerWaalsContact O-CG 3.29Å; R326-M330 WeakPolarHBondContact O-CG 3.25Å; R326-M330 PolarHBondContact O-N 3Å; I327-M330 WeakPolarHBondContact O-CB 3.02Å; I327-M330 PolarHBondContact O-N 2.93Å; L328-M330 PolarHBondContact O-N 3.2Å
331	G	48.7	Very low	39.1	Very low	60 Å²	60	91.7 Å²	91.7	62%	0.619	50%	0.497	S	S	*	.	H	α-helix	trans	-105.4	-24	-170.1	0	0	0	0	0	116.6	I327 L328	I327-G331 PolarHBondContact O-N 3.29Å; L328-G331 PolarHBondContact O-N 3.03Å
332	V	50.5	Low	39.1	Very low	87 Å²	87	94.5 Å²	94.5	53%	0.527	51%	0.512	S	S	.	.			trans	-148.6	127	-178.7	-177.3	0	0	0	0	110.1	F334	V332-F334 HydrophobicContact CB-CE2 3.92Å; V332-F334 HydrophobicContact CB-CZ 4.18Å; V332-F334 HydrophobicContact CG1-CD2 4.38Å; V332-F334 HydrophobicContact CG1-CE1 4.28Å; V332-F334 HydrophobicContact CG1-CE2 3.92Å; V332-F334 HydrophobicContact CG1-CZ 3.87Å; V332-F334 WeakPolarHBondContact O-CD2 3.02Å
333	C	48.6	Very low	38.9	Very low	47 Å²	47	96.2 Å²	96.2	32%	0.318	52%	0.521	S	S	.	.			trans	-84.2	123.4	173.9	-165.7	0	0	0	0	110.3	C292	C292-C333 PolarHBondContact SG-SG 3.36Å
334	F	53.2	Low	38.7	Very low	78 Å²	78	96 Å²	96	34%	0.342	53%	0.531	S	S	.	.			trans	-106.1	122.6	177.2	-66.9	-85.8	0	0	0	110.6	H302 Y303 L308 V332	H302-F334 PolarHBondContact CD2-O 2.5Å; Y303-F334 PolarHBondContact N-O 3.43Å; L308-F334 HydrophobicContact CD1-CD2 4.02Å; L308-F334 HydrophobicContact CD1-CE2 3.52Å; L308-F334 HydrophobicContact CD1-CZ 4.08Å; V332-F334 HydrophobicContact CB-CE2 3.92Å; V332-F334 HydrophobicContact CB-CZ 4.18Å; V332-F334 HydrophobicContact CG1-CD2 4.38Å; V332-F334 HydrophobicContact CG1-CE1 4.28Å; V332-F334 HydrophobicContact CG1-CE2 3.92Å; V332-F334 HydrophobicContact CG1-CZ 3.87Å; V332-F334 WeakPolarHBondContact O-CD2 3.02Å
335	C	48.9	Very low	38.5	Very low	30 Å²	30	98.3 Å²	98.3	20%	0.203	55%	0.548	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.4	-173.2	-50.8	0	0	0	0	110.8	C292 W296 M300 F301	C292-C335 WeakPolarHBondContact CA-SG 3.1Å; C292-C335 HydrophobicContact CB-CB 3.61Å; C292-C335 WeakPolarHBondContact CB-SG 3.2Å; C292-C335 VanDerWaalsContact SG-CA 3.52Å; C292-C335 WeakPolarHBondContact SG-CB 3.43Å; C292-C335 CovalentContact SG-SG 2.02Å; C292-C335 PolarHBondContact SG-SG 2.73Å; W296-C335 VanDerWaalsContact CD1-CB 3.48Å; W296-C335 HydrophobicContact CG-CB 4.36Å; W296-C335 PolarHBondContact NE1-SG 3.46Å; W296-C335 VanDerWaalsContact NE1-SG 3.37Å; M300-C335 HydrophobicContact CB-CB 4.45Å; M300-C335 HydrophobicContact CE-CB 3.69Å; F301-C335 CarbonylContact O-C 3.55Å; F301-C335 VanDerWaalsContact O-CA 3.31Å; F301-C335 WeakPolarHBondContact O-CA 3.12Å
336	D	47	Very low	38.4	Very low	68 Å²	68	102 Å²	102	36%	0.364	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.4	147.9	178.7	-169.7	16.1	0	0	0	111	M300 F301 Y303	M300-D336 CarbonylContact C-O 3.51Å; M300-D336 VanDerWaalsContact CA-O 3.31Å; M300-D336 WeakPolarHBondContact CA-O 3.4Å; F301-D336 PolarHBondContact N-O 2.9Å; F301-D336 PolarHBondContact O-N 2.78Å; Y303-D336 HydrophobicContact CD2-CB 3.56Å; Y303-D336 WeakPolarHBondContact CD2-OD2 3.23Å; Y303-D336 HydrophobicContact CE2-CB 4.34Å; Y303-D336 VanDerWaalsContact CE2-OD2 3.29Å; Y303-D336 WeakPolarHBondContact CE2-OD2 3.13Å; Y303-D336 HydrophobicContact CG-CB 4.01Å
337	V	41.3	Very low	38.2	Very low	62 Å²	62	105.8 Å²	105.8	38%	0.376	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87	109.4	176.6	-174.1	0	0	0	0	107.6	M300 W339	M300-V337 HydrophobicContact CE-CG2 4.12Å; M300-V337 HydrophobicContact SD-CB 4.12Å; M300-V337 HydrophobicContact SD-CG2 3.46Å; M300-V337 WeakPolarHBondContact SD-CG2 3.47Å; V337-W339 HydrophobicContact CG1-CD2 4.48Å; V337-W339 HydrophobicContact CG1-CG 4.45Å; V337-W339 PolarHBondContact O-N 3.44Å
338	S	42	Very low	37.8	Very low	59 Å²	59	109.4 Å²	109.4	41%	0.413	61%	0.608	S	S	.	*			trans	-80	104	169.8	71.9	0	0	0	0	109.6	G299 F301 T340	G299-S338 PolarHBondContact O-N 2.84Å; G299-S338 PolarHBondContact O-OG 3.03Å; F301-S338 WeakPolarHBondContact CD2-OG 3.46Å; F301-S338 WeakPolarHBondContact CE2-OG 3.45Å; S338-T340 PolarHBondContact O-N 3.26Å
339	W	31	Very low	37.3	Very low	196 Å²	196	114 Å²	114	74%	0.742	63%	0.628	S	S	*	*			trans	-74.4	111.1	171.4	-66.3	82.5	0	0	0	109.6	V337	V337-W339 HydrophobicContact CG1-CD2 4.48Å; V337-W339 HydrophobicContact CG1-CG 4.45Å; V337-W339 PolarHBondContact O-N 3.44Å
340	T	32.7	Very low	36.6	Very low	116 Å²	116	115.3 Å²	115.3	71%	0.712	64%	0.644	S	S	*	*			trans	-78.8	129.7	159.9	50.3	0	0	0	0	108.1	S338 D342	S338-T340 PolarHBondContact O-N 3.26Å; T340-D342 PolarHBondContact O-N 3.24Å
341	S	29.4	Very low	35.9	Very low	113 Å²	113	110.5 Å²	110.5	79%	0.79	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	26.8	-161.1	57.3	0	0	0	0	117.7
342	D	30.5	Very low	35.3	Very low	145 Å²	145	114.3 Å²	114.3	78%	0.775	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	-2.5	-172.9	-68.3	-21.7	0	0	0	115.2	T340	T340-D342 PolarHBondContact O-N 3.24Å
343	D	28.2	Very low	34.5	Very low	140 Å²	140	116.1 Å²	116.1	75%	0.749	64%	0.641	S	S	*	*			trans	-110.1	83	175.7	-105.2	-29.4	0	0	0	113.1	S345	D343-S345 PolarHBondContact O-N 3.13Å
344	C	23.7	Very low	33.9	Very low	126 Å²	126	118.3 Å²	118.3	85%	0.851	65%	0.653	S	S	*	*			trans	-82	84.3	168.8	-100.5	0	0	0	0	110.2
345	S	24.6	Very low	33.1	Very low	110 Å²	110	119.5 Å²	119.5	77%	0.769	66%	0.663	S	S	*	*			trans	179.6	59.9	153.3	34.3	0	0	0	0	115.3	D343	D343-S345 PolarHBondContact O-N 3.13Å
346	V	28.1	Very low	32.7	Very low	133 Å²	133	122.8 Å²	122.8	81%	0.806	68%	0.678	S	S	*	*			trans	-138	117.9	153.3	-173.3	0	0	0	0	110.1
347	R	26.5	Very low	32.1	Very low	235 Å²	235	128.4 Å²	128.4	89%	0.887	69%	0.694	S	S	*	*			trans	-67.2	147.3	175.8	-85.1	-179.6	172	-162.5	-1.4	111.4	E349	R347-E349 PolarHBondContact O-N 3.1Å
348	L	25.6	Very low	31.8	Very low	177 Å²	177	132.4 Å²	132.4	93%	0.927	71%	0.706	S	S	*	*			trans	-69.6	91.3	-174.6	-151.5	110.1	0	0	0	112.4
349	E	29.6	Very low	31.6	Very low	161 Å²	161	137.9 Å²	137.9	75%	0.752	72%	0.719	S	S	*	*			trans	-142.6	104.8	171.4	-71.5	-170.8	-178.5	0	0	113.3	R347 A351	R347-E349 PolarHBondContact O-N 3.1Å; E349-A351 PolarHBondContact O-N 3.28Å
350	S	31.1	Very low	32	Very low	114 Å²	114	130.5 Å²	130.5	80%	0.797	70%	0.704	S	S	*	*	S	Bend	trans	58.3	3.4	137	9.2	0	0	0	0	123.4
351	A	32.1	Very low	32.3	Very low	64 Å²	64	130.7 Å²	130.7	53%	0.529	70%	0.695	S	S	.	*			trans	-90.4	-10.3	-172.5	0	0	0	0	0	116.9	E349	E349-A351 PolarHBondContact O-N 3.28Å
352	I	36.3	Very low	32.7	Very low	140 Å²	140	131 Å²	131	72%	0.718	69%	0.688	S	S	*	*	H	α-helix	trans	-83.7	-24.5	-165.3	-64.8	174.1	0	0	0	113.7	I356	I352-I356 WeakPolarHBondContact O-CD1 3.37Å; I352-I356 WeakPolarHBondContact O-CG1 3.29Å
353	L	34.7	Very low	33.2	Very low	124 Å²	124	128.7 Å²	128.7	65%	0.649	68%	0.676	S	S	*	*	H	α-helix	trans	-92.7	-20.5	-178.2	-72.7	167.3	0	0	0	114.6
354	V	35.7	Very low	33.8	Very low	94 Å²	94	124.1 Å²	124.1	57%	0.57	66%	0.657	S	S	*	*	H	α-helix	trans	-81.4	-30.2	-174.4	179.5	0	0	0	0	112.5
355	N	36	Very low	34.4	Very low	102 Å²	102	127 Å²	127	55%	0.545	65%	0.65	S	S	.	*	H	α-helix	trans	-81.3	-29.8	178.9	-73.4	-30	0	0	0	113	W357 K358 Y359	N355-W357 PolarHBondContact O-N 3.47Å; N355-K358 PolarHBondContact O-N 3.26Å; N355-Y359 PolarHBondContact O-N 3Å
356	I	40.6	Very low	35.1	Very low	100 Å²	100	124.9 Å²	124.9	51%	0.513	64%	0.635	S	S	.	*	H	α-helix	trans	-60.9	-35.1	171.7	-63.7	174.4	0	0	0	110.5	I352 G360	I352-I356 WeakPolarHBondContact O-CD1 3.37Å; I352-I356 WeakPolarHBondContact O-CG1 3.29Å; I356-G360 PolarHBondContact O-N 2.79Å; I356-G360 VanDerWaalsContact O-N 3.12Å
357	W	34.5	Very low	35.6	Very low	186 Å²	186	123.9 Å²	123.9	71%	0.705	63%	0.625	S	S	*	*	H	α-helix	trans	-74.5	-34.3	179.9	-140.1	72.5	0	0	0	113.7	N355 F361	N355-W357 PolarHBondContact O-N 3.47Å; W357-F361 WeakPolarHBondContact O-CB 3.31Å
358	K	33.8	Very low	36.1	Very low	146 Å²	146	119.7 Å²	119.7	64%	0.635	61%	0.613	S	S	*	*	H	α-helix	trans	-78.8	-33.6	-176.8	-109.2	179.2	177.8	176.9	0	114.1	N355 N362	N355-K358 PolarHBondContact O-N 3.26Å; K358-N362 PolarHBondContact O-ND2 3Å
359	Y	39.4	Very low	36.8	Very low	174 Å²	174	119 Å²	119	68%	0.682	61%	0.605	S	S	*	*	H	α-helix	trans	-98.6	-36	-177.2	-89.9	-85.8	0	0	0	113.4	N355	N355-Y359 PolarHBondContact O-N 3Å
360	G	39.3	Very low	37.4	Very low	41 Å²	41	118.4 Å²	118.4	42%	0.423	60%	0.603	S	S	.	*	H	α-helix	trans	-69	-39.9	179.8	0	0	0	0	0	113.6	I356 A364	I356-G360 PolarHBondContact O-N 2.79Å; I356-G360 VanDerWaalsContact O-N 3.12Å; G360-A364 WeakPolarHBondContact O-CB 3.44Å; G360-A364 PolarHBondContact O-N 3.37Å
361	F	39.2	Very low	37.9	Very low	120 Å²	120	121.2 Å²	121.2	53%	0.526	60%	0.603	S	S	.	*	H	α-helix	trans	-76.8	-29.7	-172.8	-144.4	-91.6	0	0	0	113.7	W357	W357-F361 WeakPolarHBondContact O-CB 3.31Å
362	N	37	Very low	38	Very low	119 Å²	119	123.4 Å²	123.4	64%	0.636	60%	0.604	S	S	*	*	H	α-helix	trans	-78.7	-33.1	179.9	-74.3	-40.3	0	0	0	112.6	K358	K358-N362 PolarHBondContact O-ND2 3Å
363	N	42	Very low	37.9	Very low	97 Å²	97	122.6 Å²	122.6	52%	0.519	61%	0.611	S	S	.	*	H	α-helix	trans	-87.5	-30.3	177.5	-76.4	-11.9	0	0	0	113.1	R365 S366 L367	N363-R365 PolarHBondContact O-N 2Å; N363-S366 PolarHBondContact O-N 3.22Å; N363-S366 PolarHBondContact O-OG 2.03Å; N363-S366 VanDerWaalsContact O-OG 3.08Å; N363-L367 PolarHBondContact O-N 3.46Å; N363-L367 VanDerWaalsContact O-N 3.15Å
364	A	39.4	Very low	38.1	Very low	43 Å²	43	121.9 Å²	121.9	36%	0.355	61%	0.606	S	S	.	*	H	α-helix	trans	-61.8	-33.2	174.7	0	0	0	0	0	112	G360 F368	G360-A364 WeakPolarHBondContact O-CB 3.44Å; G360-A364 PolarHBondContact O-N 3.37Å; A364-F368 VanDerWaalsContact O-CB 3.31Å; A364-F368 WeakPolarHBondContact O-CB 3.31Å; A364-F368 WeakPolarHBondContact O-CD2 3.33Å; A364-F368 PolarHBondContact O-N 2.89Å
365	R	36.6	Very low	38.1	Very low	186 Å²	186	124.9 Å²	124.9	70%	0.702	62%	0.619	S	S	*	*	H	α-helix	trans	-68.7	-35.1	179.1	-167.2	174.7	-175.3	163.1	2.5	113.4	N363 Q369	N363-R365 PolarHBondContact O-N 2Å; R365-Q369 WeakPolarHBondContact O-CG 3Å
366	S	38.9	Very low	38.3	Very low	66 Å²	66	123.7 Å²	123.7	46%	0.462	61%	0.609	S	S	.	*	H	α-helix	trans	-78.5	-36.2	178	63.1	0	0	0	0	112	N363 Q369	N363-S366 PolarHBondContact O-N 3.22Å; N363-S366 PolarHBondContact O-OG 2.03Å; N363-S366 VanDerWaalsContact O-OG 3.08Å; S366-Q369 PolarHBondContact O-N 2.95Å
367	L	39.5	Very low	38.5	Very low	112 Å²	112	124.2 Å²	124.2	59%	0.586	61%	0.613	S	S	*	*	H	α-helix	trans	-69	-39.8	175.6	-76	160.2	0	0	0	112.2	N363 Q369 Q370	N363-L367 PolarHBondContact O-N 3.46Å; N363-L367 VanDerWaalsContact O-N 3.15Å; L367-Q369 VanDerWaalsContact C-N 3.29Å; L367-Q369 PolarHBondContact O-N 3.04Å; L367-Q370 PolarHBondContact O-N 3.1Å
368	F	36.8	Very low	39.3	Very low	148 Å²	148	119.5 Å²	119.5	65%	0.649	61%	0.608	S	S	*	*	H	α-helix	trans	-70.1	-20.7	177.6	-95.9	-91.1	0	0	0	114.3	A364 Q370 M372	A364-F368 VanDerWaalsContact O-CB 3.31Å; A364-F368 WeakPolarHBondContact O-CB 3.31Å; A364-F368 WeakPolarHBondContact O-CD2 3.33Å; A364-F368 PolarHBondContact O-N 2.89Å; F368-Q370 VanDerWaalsContact C-N 3.35Å; F368-M372 HydrophobicContact CD1-SD 4.44Å
369	Q	39.5	Very low	40	Very low	162 Å²	162	119.8 Å²	119.8	76%	0.757	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-13.4	175.4	-77.7	-172.8	-55.3	0	0	113.4	R365 S366 L367	R365-Q369 WeakPolarHBondContact O-CG 3Å; S366-Q369 PolarHBondContact O-N 2.95Å; L367-Q369 VanDerWaalsContact C-N 3.29Å; L367-Q369 PolarHBondContact O-N 3.04Å
370	Q	43.7	Very low	40.7	Very low	149 Å²	149	114.8 Å²	114.8	70%	0.696	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-19.5	-174.4	-131.4	171.9	-3.7	0	0	114.1	L367 F368	L367-Q370 PolarHBondContact O-N 3.1Å; F368-Q370 VanDerWaalsContact C-N 3.35Å
371	E	40.6	Very low	41.1	Very low	173 Å²	173	119.1 Å²	119.1	81%	0.808	60%	0.602	S	S	*	*	S	Bend	trans	-107	-5	-175.9	-74.7	-161.1	154.5	0	0	116.3	S373	E371-S373 PolarHBondContact O-N 3.31Å
372	M	33.8	Very low	41.7	Very low	109 Å²	109	118.9 Å²	118.9	54%	0.537	61%	0.605	S	S	.	*			trans	-95.9	73.9	179.7	-70.4	-172.7	65.9	0	0	112.7	F368 F376	F368-M372 HydrophobicContact CD1-SD 4.44Å; M372-F376 HydrophobicContact CE-CD2 3.79Å; M372-F376 HydrophobicContact CE-CE2 3.87Å
373	S	34	Very low	42.8	Very low	124 Å²	124	118.2 Å²	118.2	87%	0.867	60%	0.601	S	S	*	*			trans	-87	19.9	154.7	-56.4	0	0	0	0	112	E371	E371-S373 PolarHBondContact O-N 3.31Å
374	I	38.9	Very low	43.7	Very low	108 Å²	108	117.4 Å²	117.4	55%	0.554	60%	0.599	S	S	*	*			trans	-91.1	115.1	178.8	-54.6	176.9	0	0	0	108.5	F376	I374-F376 HydrophobicContact CB-CD2 4.16Å; I374-F376 HydrophobicContact CB-CE2 3.84Å; I374-F376 HydrophobicContact CG2-CD2 3.85Å; I374-F376 HydrophobicContact CG2-CE2 3.48Å; I374-F376 VanDerWaalsContact CG2-CE2 3.48Å; I374-F376 HydrophobicContact CG2-CZ 3.88Å; I374-F376 PolarHBondContact O-N 3.32Å
375	D	37.4	Very low	44.4	Very low	157 Å²	157	119.2 Å²	119.2	84%	0.84	61%	0.609	S	S	*	*			trans	-71.4	92.7	176.1	-166	16	0	0	0	110
376	F	39.7	Very low	45.5	Very low	77 Å²	77	115 Å²	115	34%	0.338	60%	0.6	S	S	.	*			trans	-90.2	128.9	168.8	-76	-77	0	0	0	109.7	M372 I374 D380 K381	M372-F376 HydrophobicContact CE-CD2 3.79Å; M372-F376 HydrophobicContact CE-CE2 3.87Å; I374-F376 HydrophobicContact CB-CD2 4.16Å; I374-F376 HydrophobicContact CB-CE2 3.84Å; I374-F376 HydrophobicContact CG2-CD2 3.85Å; I374-F376 HydrophobicContact CG2-CE2 3.48Å; I374-F376 VanDerWaalsContact CG2-CE2 3.48Å; I374-F376 HydrophobicContact CG2-CZ 3.88Å; I374-F376 PolarHBondContact O-N 3.32Å; F376-D380 HydrophobicContact CB-CB 4.1Å; F376-D380 HydrophobicContact CD1-CB 3.91Å; F376-D380 HydrophobicContact CG-CB 4.41Å; F376-K381 HydrophobicContact CB-CG 4.38Å
377	D	45.2	Very low	46.7	Very low	111 Å²	111	114.1 Å²	114.1	59%	0.594	60%	0.597	S	S	*	*			trans	-58.9	153.3	174	-164.8	-4.3	0	0	0	110.3	K379 D380 K381	D377-K379 PolarHBondContact O-N 3.02Å; D377-D380 PolarHBondContact O-N 3.16Å; D377-K381 PolarHBondContact O-N 3.33Å
378	S	50.1	Low	47.7	Very low	87 Å²	87	113.1 Å²	113.1	61%	0.608	59%	0.591	S	S	*	*	H	α-helix	trans	-52.8	-30.1	-173.2	63.5	0	0	0	0	114.2	L382	S378-L382 PolarHBondContact O-N 2.74Å
379	K	48.9	Very low	49	Very low	152 Å²	152	108.4 Å²	108.4	66%	0.661	58%	0.579	S	S	*	*	H	α-helix	trans	-70.3	-39.1	176.1	-74	-175.7	177.3	177.9	0	112.6	D377 K381 L382 I383	D377-K379 PolarHBondContact O-N 3.02Å; K379-K381 VanDerWaalsContact C-N 3.34Å; K379-L382 PolarHBondContact O-N 3.47Å; K379-I383 WeakPolarHBondContact O-CG1 3.22Å; K379-I383 PolarHBondContact O-N 2.86Å
380	D	53.4	Low	50.1	Low	70 Å²	70	105.9 Å²	105.9	37%	0.374	57%	0.57	S	S	.	*	H	α-helix	trans	-69.3	-36.1	-179.2	-66.2	-26.1	0	0	0	110.9	F376 D377 L382 I383 V384	F376-D380 HydrophobicContact CB-CB 4.1Å; F376-D380 HydrophobicContact CD1-CB 3.91Å; F376-D380 HydrophobicContact CG-CB 4.41Å; D377-D380 PolarHBondContact O-N 3.16Å; D380-L382 VanDerWaalsContact C-N 3.32Å; D380-L382 PolarHBondContact O-N 3.39Å; D380-I383 PolarHBondContact O-N 2.99Å; D380-V384 WeakPolarHBondContact O-CB 3Å; D380-V384 VanDerWaalsContact O-CG2 3.29Å; D380-V384 WeakPolarHBondContact O-CG2 3.35Å; D380-V384 PolarHBondContact O-N 3.1Å
381	K	48.8	Very low	51	Low	132 Å²	132	102.5 Å²	102.5	57%	0.574	56%	0.556	S	S	*	*	H	α-helix	trans	-60	-40.5	172	-70.6	-178.6	-178.6	171.1	0	112.4	F376 D377 K379 S385	F376-K381 HydrophobicContact CB-CG 4.38Å; D377-K381 PolarHBondContact O-N 3.33Å; K379-K381 VanDerWaalsContact C-N 3.34Å; K381-S385 VanDerWaalsContact O-CB 3.31Å; K381-S385 WeakPolarHBondContact O-CB 3.4Å; K381-S385 PolarHBondContact O-N 3.24Å
382	L	51.9	Low	51.9	Low	114 Å²	114	98.8 Å²	98.8	60%	0.597	54%	0.542	S	S	*	.	H	α-helix	trans	-68.3	-42.2	177.9	-163.2	80.3	0	0	0	111.4	S378 K379 D380 S385 L386	S378-L382 PolarHBondContact O-N 2.74Å; K379-L382 PolarHBondContact O-N 3.47Å; D380-L382 VanDerWaalsContact C-N 3.32Å; D380-L382 PolarHBondContact O-N 3.39Å; L382-S385 PolarHBondContact O-N 3.22Å; L382-L386 HydrophobicContact CD2-CD1 4.33Å; L382-L386 HydrophobicContact CG-CD1 4.08Å; L382-L386 WeakPolarHBondContact O-CB 2.96Å; L382-L386 VanDerWaalsContact O-CG 3.31Å; L382-L386 WeakPolarHBondContact O-CG 3.32Å; L382-L386 PolarHBondContact O-N 2.89Å
383	I	60.2	Low	53.2	Low	106 Å²	106	97.4 Å²	97.4	54%	0.544	54%	0.539	S	S	.	.	H	α-helix	trans	-63.6	-46.9	178.7	-67.6	166.3	0	0	0	110.6	K379 D380 S385 L386 A387	K379-I383 WeakPolarHBondContact O-CG1 3.22Å; K379-I383 PolarHBondContact O-N 2.86Å; D380-I383 PolarHBondContact O-N 2.99Å; I383-S385 PolarHBondContact O-N 3.21Å; I383-L386 PolarHBondContact O-N 3.41Å; I383-A387 WeakPolarHBondContact O-CB 3.5Å; I383-A387 PolarHBondContact O-N 2.02Å
384	V	59.6	Low	54.4	Low	80 Å²	80	94.4 Å²	94.4	49%	0.485	52%	0.516	S	S	.	.	H	α-helix	trans	-62.7	-43.7	177.6	173.6	0	0	0	0	110.8	D380 L386 A387 I388	D380-V384 WeakPolarHBondContact O-CB 3Å; D380-V384 VanDerWaalsContact O-CG2 3.29Å; D380-V384 WeakPolarHBondContact O-CG2 3.35Å; D380-V384 PolarHBondContact O-N 3.1Å; V384-L386 PolarHBondContact O-N 3.24Å; V384-A387 PolarHBondContact O-N 2.98Å; V384-I388 HydrophobicContact CG1-CD1 3.88Å; V384-I388 VanDerWaalsContact O-CG1 3.28Å; V384-I388 WeakPolarHBondContact O-CG1 3.41Å; V384-I388 PolarHBondContact O-N 3.26Å
385	S	54.8	Low	55.3	Low	80 Å²	80	93.7 Å²	93.7	56%	0.559	51%	0.509	S	S	*	.	H	α-helix	trans	-66.4	-36.9	179.2	-157.8	0	0	0	0	112.7	K381 L382 I383 A389	K381-S385 VanDerWaalsContact O-CB 3.31Å; K381-S385 WeakPolarHBondContact O-CB 3.4Å; K381-S385 PolarHBondContact O-N 3.24Å; L382-S385 PolarHBondContact O-N 3.22Å; I383-S385 PolarHBondContact O-N 3.21Å; S385-A389 WeakPolarHBondContact O-CB 3.03Å; S385-A389 PolarHBondContact O-N 3.38Å
386	L	60.9	Low	56.3	Low	99 Å²	99	88.2 Å²	88.2	52%	0.518	49%	0.489	S	S	.	.	H	α-helix	trans	-69.4	-40.1	174.7	-77.2	167.1	0	0	0	111.9	L382 I383 V384 I388 A389 L390	L382-L386 HydrophobicContact CD2-CD1 4.33Å; L382-L386 HydrophobicContact CG-CD1 4.08Å; L382-L386 WeakPolarHBondContact O-CB 2.96Å; L382-L386 VanDerWaalsContact O-CG 3.31Å; L382-L386 WeakPolarHBondContact O-CG 3.32Å; L382-L386 PolarHBondContact O-N 2.89Å; I383-L386 PolarHBondContact O-N 3.41Å; V384-L386 PolarHBondContact O-N 3.24Å; L386-I388 VanDerWaalsContact C-N 3.34Å; L386-I388 PolarHBondContact O-N 3.02Å; L386-A389 PolarHBondContact O-N 3.43Å; L386-L390 WeakPolarHBondContact O-CB 3.48Å; L386-L390 PolarHBondContact O-N 3.15Å
387	A	64	Low	56.8	Low	46 Å²	46	89.8 Å²	89.8	38%	0.38	50%	0.501	S	S	.	.	H	α-helix	trans	-62.3	-42.3	176.3	0	0	0	0	0	111.5	I383 V384 L390 L391	I383-A387 WeakPolarHBondContact O-CB 3.5Å; I383-A387 PolarHBondContact O-N 2.02Å; V384-A387 PolarHBondContact O-N 2.98Å; A387-L390 PolarHBondContact O-N 2.8Å; A387-L391 WeakPolarHBondContact O-CB 3.42Å; A387-L391 VanDerWaalsContact O-CG 3.3Å; A387-L391 WeakPolarHBondContact O-CG 3.33Å; A387-L391 PolarHBondContact O-N 2.93Å
388	I	60	Low	57.2	Low	92 Å²	92	89.6 Å²	89.6	47%	0.472	50%	0.499	S	S	.	.	H	α-helix	trans	-64.2	-44.3	175.1	-66.7	166.2	0	0	0	110.9	V384 L386 L390 L391 L392	V384-I388 HydrophobicContact CG1-CD1 3.88Å; V384-I388 VanDerWaalsContact O-CG1 3.28Å; V384-I388 WeakPolarHBondContact O-CG1 3.41Å; V384-I388 PolarHBondContact O-N 3.26Å; L386-I388 VanDerWaalsContact C-N 3.34Å; L386-I388 PolarHBondContact O-N 3.02Å; I388-L390 PolarHBondContact O-N 2.9Å; I388-L391 PolarHBondContact O-N 3.31Å; I388-L392 HydrophobicContact CG2-CD1 3.97Å; I388-L392 HydrophobicContact CG2-CG 4.44Å; I388-L392 VanDerWaalsContact O-CG 3.29Å; I388-L392 WeakPolarHBondContact O-CG 3.05Å; I388-L392 PolarHBondContact O-N 3.32Å
389	A	62.9	Low	57.1	Low	48 Å²	48	90.4 Å²	90.4	40%	0.397	50%	0.496	S	S	.	.	H	α-helix	trans	-61.8	-43.2	177.4	0	0	0	0	0	112	S385 L386 L392 T393	S385-A389 WeakPolarHBondContact O-CB 3.03Å; S385-A389 PolarHBondContact O-N 3.38Å; L386-A389 PolarHBondContact O-N 3.43Å; A389-L392 PolarHBondContact O-N 2.88Å; A389-T393 WeakPolarHBondContact O-CG2 3.44Å; A389-T393 PolarHBondContact O-N 3.31Å; A389-T393 PolarHBondContact O-OG1 3.46Å
390	L	62.5	Low	57	Low	109 Å²	109	90.3 Å²	90.3	57%	0.571	49%	0.493	S	S	*	.	H	α-helix	trans	-60.7	-47.7	175	-94.7	149.1	0	0	0	111.5	L386 A387 I388 L392 T393 T394	L386-L390 WeakPolarHBondContact O-CB 3.48Å; L386-L390 PolarHBondContact O-N 3.15Å; A387-L390 PolarHBondContact O-N 2.8Å; I388-L390 PolarHBondContact O-N 2.9Å; L390-L392 VanDerWaalsContact C-N 3.32Å; L390-L392 PolarHBondContact O-N 3.33Å; L390-T393 WeakPolarHBondContact CA-OG1 2.86Å; L390-T393 PolarHBondContact O-N 2.85Å; L390-T393 PolarHBondContact O-OG1 2.93Å; L390-T394 WeakPolarHBondContact O-CG2 3.42Å; L390-T394 PolarHBondContact O-N 3.25Å; L390-T394 PolarHBondContact O-OG1 2.9Å; L390-T394 VanDerWaalsContact O-OG1 3.06Å
391	L	63.8	Low	56.7	Low	78 Å²	78	93.1 Å²	93.1	41%	0.408	50%	0.504	S	S	.	.	H	α-helix	trans	-58.7	-41.9	176.5	-75.7	166.8	0	0	0	112.3	T315 A387 I388 T394 F395	T315-L391 HydrophobicContact CG2-CD2 3.44Å; T315-L391 VanDerWaalsContact CG2-CD2 3.44Å; A387-L391 WeakPolarHBondContact O-CB 3.42Å; A387-L391 VanDerWaalsContact O-CG 3.3Å; A387-L391 WeakPolarHBondContact O-CG 3.33Å; A387-L391 PolarHBondContact O-N 2.93Å; I388-L391 PolarHBondContact O-N 3.31Å; L391-T394 PolarHBondContact O-OG1 3.38Å; L391-F395 WeakPolarHBondContact O-CB 3.35Å; L391-F395 PolarHBondContact O-N 2.71Å
392	L	59	Low	56.5	Low	95 Å²	95	88.9 Å²	88.9	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-65.9	-40	176.8	-70.7	170.1	0	0	0	112	I388 A389 L390 G396	I388-L392 HydrophobicContact CG2-CD1 3.97Å; I388-L392 HydrophobicContact CG2-CG 4.44Å; I388-L392 VanDerWaalsContact O-CG 3.29Å; I388-L392 WeakPolarHBondContact O-CG 3.05Å; I388-L392 PolarHBondContact O-N 3.32Å; A389-L392 PolarHBondContact O-N 2.88Å; L390-L392 VanDerWaalsContact C-N 3.32Å; L390-L392 PolarHBondContact O-N 3.33Å; L392-G396 PolarHBondContact O-N 3Å
393	T	60.9	Low	56.1	Low	80 Å²	80	86 Å²	86	49%	0.491	49%	0.49	S	S	.	.	H	α-helix	trans	-71.2	-39.8	178.5	56.4	0	0	0	0	113.1	A389 L390 G396 L397	A389-T393 WeakPolarHBondContact O-CG2 3.44Å; A389-T393 PolarHBondContact O-N 3.31Å; A389-T393 PolarHBondContact O-OG1 3.46Å; L390-T393 WeakPolarHBondContact CA-OG1 2.86Å; L390-T393 PolarHBondContact O-N 2.85Å; L390-T393 PolarHBondContact O-OG1 2.93Å; T393-G396 PolarHBondContact O-N 2.8Å; T393-L397 WeakPolarHBondContact O-CG 3.48Å; T393-L397 PolarHBondContact O-N 2.83Å
394	T	60.2	Low	55	Low	62 Å²	62	88.5 Å²	88.5	38%	0.38	49%	0.494	S	S	.	.	H	α-helix	trans	-70.2	-40	178.4	53.8	0	0	0	0	111.4	L390 L391 L397 L398	L390-T394 WeakPolarHBondContact O-CG2 3.42Å; L390-T394 PolarHBondContact O-N 3.25Å; L390-T394 PolarHBondContact O-OG1 2.9Å; L390-T394 VanDerWaalsContact O-OG1 3.06Å; L391-T394 PolarHBondContact O-OG1 3.38Å; T394-L397 PolarHBondContact O-N 2.91Å; T394-L398 WeakPolarHBondContact O-CG 3.33Å; T394-L398 PolarHBondContact O-N 2.99Å
395	F	57.9	Low	54.2	Low	93 Å²	93	89.6 Å²	89.6	41%	0.408	50%	0.5	S	S	.	.	H	α-helix	trans	-65.6	-39.4	172.1	-108	-95.5	0	0	0	112.4	L311 L391 L397 L398 L399	L311-F395 HydrophobicContact CD2-CZ 4.03Å; L391-F395 WeakPolarHBondContact O-CB 3.35Å; L391-F395 PolarHBondContact O-N 2.71Å; F395-L397 VanDerWaalsContact C-N 3.35Å; F395-L397 PolarHBondContact O-N 3.15Å; F395-L398 PolarHBondContact O-N 2.81Å; F395-L399 VanDerWaalsContact O-CG 3.31Å; F395-L399 WeakPolarHBondContact O-CG 3.39Å; F395-L399 PolarHBondContact O-N 2.8Å
396	G	57	Low	53.7	Low	41 Å²	41	89.5 Å²	89.5	42%	0.423	51%	0.505	S	S	.	.	H	α-helix	trans	-60.4	-41.6	174.5	0	0	0	0	0	112.9	L392 T393 Y400	L392-G396 PolarHBondContact O-N 3Å; T393-G396 PolarHBondContact O-N 2.8Å; G396-Y400 WeakPolarHBondContact O-CB 3.34Å; G396-Y400 PolarHBondContact O-N 2.87Å
397	L	51.4	Low	52.6	Low	110 Å²	110	94.9 Å²	94.9	58%	0.576	52%	0.52	S	S	*	.	H	α-helix	trans	-69.8	-38.9	177.4	-79.9	160.8	0	0	0	113	T393 T394 F395 Y400 Q401	T393-L397 WeakPolarHBondContact O-CG 3.48Å; T393-L397 PolarHBondContact O-N 2.83Å; T394-L397 PolarHBondContact O-N 2.91Å; F395-L397 VanDerWaalsContact C-N 3.35Å; F395-L397 PolarHBondContact O-N 3.15Å; L397-Y400 PolarHBondContact O-N 3.4Å; L397-Q401 PolarHBondContact O-N 3.25Å
398	L	52	Low	51	Low	107 Å²	107	103.2 Å²	103.2	56%	0.56	54%	0.541	S	S	*	.	H	α-helix	trans	-65.8	-38.1	176.2	-76.2	165.7	0	0	0	111.9	T394 F395 Q401 G402	T394-L398 WeakPolarHBondContact O-CG 3.33Å; T394-L398 PolarHBondContact O-N 2.99Å; F395-L398 PolarHBondContact O-N 2.81Å; L398-Q401 PolarHBondContact O-N 3.04Å; L398-G402 PolarHBondContact O-N 3.41Å
399	L	49.2	Very low	49.8	Very low	105 Å²	105	110.1 Å²	110.1	55%	0.55	58%	0.577	S	S	.	*	H	α-helix	trans	-68.2	-36.4	173.3	-69.6	171	0	0	0	111.9	F395 A403	F395-L399 VanDerWaalsContact O-CG 3.31Å; F395-L399 WeakPolarHBondContact O-CG 3.39Å; F395-L399 PolarHBondContact O-N 2.8Å; L399-A403 WeakPolarHBondContact O-CB 3.31Å; L399-A403 PolarHBondContact O-N 3.4Å
400	Y	46.8	Very low	49.2	Very low	150 Å²	150	113.3 Å²	113.3	59%	0.588	59%	0.586	S	S	*	*	H	α-helix	trans	-67.4	-40.2	175.4	-161.2	-95.1	0	0	0	112.1	G396 L397 Y404	G396-Y400 WeakPolarHBondContact O-CB 3.34Å; G396-Y400 PolarHBondContact O-N 2.87Å; L397-Y400 PolarHBondContact O-N 3.4Å; Y400-Y404 HydrophobicContact CD1-CD2 4.23Å; Y400-Y404 AromaticContact CE1-CD2 3.76Å; Y400-Y404 HydrophobicContact CE1-CD2 3.76Å; Y400-Y404 AromaticContact CE1-CE2 3.78Å; Y400-Y404 HydrophobicContact CE1-CE2 3.78Å; Y400-Y404 AromaticContact CZ-CE2 3.85Å; Y400-Y404 PolarHBondContact O-N 3.44Å; Y400-Y404 VanDerWaalsContact O-N 3.13Å
401	Q	47.3	Very low	48.5	Very low	129 Å²	129	113.5 Å²	113.5	60%	0.603	59%	0.587	S	S	*	*	H	α-helix	trans	-70.9	-41.1	176.2	-76.1	-175.1	-25.9	0	0	112.3	L397 L398 A403 Y404 T405	L397-Q401 PolarHBondContact O-N 3.25Å; L398-Q401 PolarHBondContact O-N 3.04Å; Q401-A403 VanDerWaalsContact C-N 3.33Å; Q401-A403 PolarHBondContact O-N 3.26Å; Q401-Y404 PolarHBondContact O-N 3.11Å; Q401-Y404 VanDerWaalsContact O-N 3.16Å; Q401-T405 PolarHBondContact O-N 3.11Å; Q401-T405 PolarHBondContact O-OG1 3.33Å
402	G	45	Very low	47.6	Very low	42 Å²	42	115.4 Å²	115.4	43%	0.433	60%	0.596	S	S	.	*	H	α-helix	trans	-64.2	-34.4	175.6	0	0	0	0	0	113.5	L398 A406	L398-G402 PolarHBondContact O-N 3.41Å; G402-A406 WeakPolarHBondContact O-CB 3.3Å; G402-A406 PolarHBondContact O-N 2.82Å
403	A	42.4	Very low	47	Very low	53 Å²	53	116.6 Å²	116.6	44%	0.438	60%	0.602	S	S	.	*	H	α-helix	trans	-70.4	-33.8	172.3	0	0	0	0	0	112.4	L399 Q401 Y407	L399-A403 WeakPolarHBondContact O-CB 3.31Å; L399-A403 PolarHBondContact O-N 3.4Å; Q401-A403 VanDerWaalsContact C-N 3.33Å; Q401-A403 PolarHBondContact O-N 3.26Å; A403-Y407 WeakPolarHBondContact O-CD2 3.15Å
404	Y	38.1	Very low	46.1	Very low	160 Å²	160	118.9 Å²	118.9	63%	0.627	61%	0.609	S	S	*	*	H	α-helix	trans	-76.4	-31.7	179.7	-115.6	-89.1	0	0	0	113.9	Y400 Q401	Y400-Y404 HydrophobicContact CD1-CD2 4.23Å; Y400-Y404 AromaticContact CE1-CD2 3.76Å; Y400-Y404 HydrophobicContact CE1-CD2 3.76Å; Y400-Y404 AromaticContact CE1-CE2 3.78Å; Y400-Y404 HydrophobicContact CE1-CE2 3.78Å; Y400-Y404 AromaticContact CZ-CE2 3.85Å; Y400-Y404 PolarHBondContact O-N 3.44Å; Y400-Y404 VanDerWaalsContact O-N 3.13Å; Q401-Y404 PolarHBondContact O-N 3.11Å; Q401-Y404 VanDerWaalsContact O-N 3.16Å
405	T	42.7	Very low	45.2	Very low	102 Å²	102	122.7 Å²	122.7	63%	0.626	62%	0.624	S	S	*	*	H	α-helix	trans	-76.4	-26.5	173	24.4	0	0	0	0	113	Q401 Y407 R408	Q401-T405 PolarHBondContact O-N 3.11Å; Q401-T405 PolarHBondContact O-OG1 3.33Å; T405-Y407 VanDerWaalsContact C-N 3.3Å; T405-Y407 PolarHBondContact O-N 3.31Å; T405-R408 PolarHBondContact O-N 3.34Å
406	A	43.4	Very low	44.3	Very low	79 Å²	79	124.9 Å²	124.9	65%	0.653	64%	0.64	S	S	*	*	H	α-helix	trans	-74.3	-16.9	174.9	0	0	0	0	0	113.9	G402	G402-A406 WeakPolarHBondContact O-CB 3.3Å; G402-A406 PolarHBondContact O-N 2.82Å
407	Y	38.8	Very low	43.3	Very low	212 Å²	212	131.3 Å²	131.3	83%	0.831	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	6.4	175.8	-92.6	-88.4	0	0	0	114.2	A403 T405	A403-Y407 WeakPolarHBondContact O-CD2 3.15Å; T405-Y407 VanDerWaalsContact C-N 3.3Å; T405-Y407 PolarHBondContact O-N 3.31Å
408	R	30.4	Very low	42.6	Very low	220 Å²	220	133.1 Å²	133.1	83%	0.83	66%	0.663	S	S	*	*			trans	-135.2	82.5	172	-95.4	-172.9	174.4	-173.6	-0.4	109.3	T405	T405-R408 PolarHBondContact O-N 3.34Å
409	I	35	Very low	41.7	Very low	238 Å²	238	135.5 Å²	135.5	100%	1.221	67%	0.673	S	S	*	*			trans	-169.8	0	149.2	-89	143.7	0	0	0	107.2

Retrieved 409 of 409 residues in 548.7 ms (Link to these results)

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