A0A096LV95_POEFO Loading...

MANSC domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LV95, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 337 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	A	51.8	Low	60.4	Low	131 Å²	131	112.1 Å²	112.1	100%	1.083	65%	0.646	S	S	*	*				0	-76.5	0	0	0	0	0	0	112.4	I3 A4	A1-I3 VanDerWaalsContact C-N 3.31Å; A1-I3 PolarHBondContact O-N 2.7Å; A1-A4 PolarHBondContact O-N 2.76Å
2	M	53.8	Low	60.4	Low	166 Å²	166	110.6 Å²	110.6	82%	0.818	63%	0.633	S	S	*	*	H	α-helix	trans	-50.7	-34.5	-167.6	-79.1	-179.1	165.3	0	0	117.5	A4 T5 R6	M2-A4 VanDerWaalsContact C-N 3.33Å; M2-A4 PolarHBondContact O-N 3.24Å; M2-T5 WeakPolarHBondContact CA-OG1 3.48Å; M2-T5 PolarHBondContact O-N 2.77Å; M2-T5 PolarHBondContact O-OG1 3.39Å; M2-R6 WeakPolarHBondContact O-CB 3.17Å; M2-R6 PolarHBondContact O-N 3.28Å
3	I	56.1	Low	60.4	Low	154 Å²	154	106.8 Å²	106.8	79%	0.79	62%	0.618	S	S	*	*	H	α-helix	trans	-63.9	-40.8	-179.7	-60.9	168.1	0	0	0	110.8	A1 R6 G7	A1-I3 VanDerWaalsContact C-N 3.31Å; A1-I3 PolarHBondContact O-N 2.7Å; I3-R6 PolarHBondContact O-N 2.71Å; I3-G7 PolarHBondContact O-N 2.73Å
4	A	55.3	Low	60.2	Low	76 Å²	76	106.8 Å²	106.8	63%	0.628	61%	0.614	S	S	*	*	H	α-helix	trans	-68.5	-38.2	-180	0	0	0	0	0	112.3	A1 M2 L8	A1-A4 PolarHBondContact O-N 2.76Å; M2-A4 VanDerWaalsContact C-N 3.33Å; M2-A4 PolarHBondContact O-N 3.24Å; A4-L8 VanDerWaalsContact O-CB 3.28Å; A4-L8 WeakPolarHBondContact O-CB 3.47Å; A4-L8 PolarHBondContact O-N 3.2Å
5	T	58.5	Low	60	Low	80 Å²	80	101.7 Å²	101.7	49%	0.491	59%	0.585	S	S	.	*	H	α-helix	trans	-70.1	-37.3	174.6	43.8	0	0	0	0	112.1	M2 L8 L9	M2-T5 WeakPolarHBondContact CA-OG1 3.48Å; M2-T5 PolarHBondContact O-N 2.77Å; M2-T5 PolarHBondContact O-OG1 3.39Å; T5-L8 PolarHBondContact O-N 3.03Å; T5-L9 VanDerWaalsContact O-CD1 3.26Å; T5-L9 WeakPolarHBondContact O-CD1 3.03Å; T5-L9 PolarHBondContact O-N 2.78Å
6	R	61.5	Low	59.6	Low	200 Å²	200	100.3 Å²	100.3	76%	0.755	58%	0.582	S	S	*	*	H	α-helix	trans	-63.7	-44.4	174.5	-167.3	173	-176.7	170.9	0.3	111.8	M2 I3 L9 T10	M2-R6 WeakPolarHBondContact O-CB 3.17Å; M2-R6 PolarHBondContact O-N 3.28Å; I3-R6 PolarHBondContact O-N 2.71Å; R6-L9 PolarHBondContact O-N 3.42Å; R6-T10 PolarHBondContact O-N 3.05Å; R6-T10 PolarHBondContact O-OG1 2.57Å
7	G	66	Low	59	Low	33 Å²	33	101.6 Å²	101.6	34%	0.34	58%	0.581	S	S	.	*	H	α-helix	trans	-65.3	-37.5	174.2	0	0	0	0	0	113.5	I3 T10 V11	I3-G7 PolarHBondContact O-N 2.73Å; G7-T10 PolarHBondContact O-N 3.08Å; G7-T10 PolarHBondContact O-OG1 3.21Å; G7-V11 WeakPolarHBondContact O-CG2 3.26Å; G7-V11 PolarHBondContact O-N 3.05Å
8	L	63.9	Low	58.4	Low	103 Å²	103	97.2 Å²	97.2	54%	0.539	56%	0.556	S	S	.	*	H	α-helix	trans	-66	-39	174.6	-175.7	62.5	0	0	0	111.8	A4 T5 L12	A4-L8 VanDerWaalsContact O-CB 3.28Å; A4-L8 WeakPolarHBondContact O-CB 3.47Å; A4-L8 PolarHBondContact O-N 3.2Å; T5-L8 PolarHBondContact O-N 3.03Å; L8-L12 HydrophobicContact CD1-CD1 4.4Å; L8-L12 HydrophobicContact CG-CD1 4.02Å; L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.4Å; L8-L12 PolarHBondContact O-N 2.85Å
9	L	66.1	Low	57.9	Low	119 Å²	119	97.7 Å²	97.7	62%	0.623	55%	0.553	S	S	*	*	H	α-helix	trans	-66.4	-40.6	174.6	-98.8	98	0	0	0	112.8	T5 R6 L12 S13	T5-L9 VanDerWaalsContact O-CD1 3.26Å; T5-L9 WeakPolarHBondContact O-CD1 3.03Å; T5-L9 PolarHBondContact O-N 2.78Å; R6-L9 PolarHBondContact O-N 3.42Å; L9-L12 PolarHBondContact O-N 2.96Å; L9-S13 VanDerWaalsContact O-CB 3.3Å; L9-S13 WeakPolarHBondContact O-CB 3.4Å; L9-S13 PolarHBondContact O-N 3.19Å
10	T	66.6	Low	57.4	Low	88 Å²	88	95.9 Å²	95.9	54%	0.54	55%	0.547	S	S	.	.	H	α-helix	trans	-67.9	-38.4	177.1	52.5	0	0	0	0	111.8	R6 G7 S13 L14	R6-T10 PolarHBondContact O-N 3.05Å; R6-T10 PolarHBondContact O-OG1 2.57Å; G7-T10 PolarHBondContact O-N 3.08Å; G7-T10 PolarHBondContact O-OG1 3.21Å; T10-S13 PolarHBondContact O-N 3.19Å; T10-L14 WeakPolarHBondContact O-CB 3.37Å; T10-L14 PolarHBondContact O-N 2.98Å
11	V	65	Low	56.9	Low	83 Å²	83	98.1 Å²	98.1	50%	0.503	56%	0.555	S	S	.	*	H	α-helix	trans	-64.6	-44.8	172.3	172.6	0	0	0	0	111.3	G7 S13 L14 V15	G7-V11 WeakPolarHBondContact O-CG2 3.26Å; G7-V11 PolarHBondContact O-N 3.05Å; V11-S13 PolarHBondContact O-N 2.57Å; V11-L14 PolarHBondContact O-N 3.48Å; V11-V15 HydrophobicContact CG1-CG2 4.28Å; V11-V15 WeakPolarHBondContact O-CB 3.4Å; V11-V15 WeakPolarHBondContact O-CG2 3.19Å; V11-V15 PolarHBondContact O-N 2.94Å
12	L	60.2	Low	57.1	Low	94 Å²	94	95.1 Å²	95.1	49%	0.492	53%	0.525	S	S	.	.	H	α-helix	trans	-62	-42.5	176.3	-78.7	166.1	0	0	0	112.4	L8 L9 V15 C16	L8-L12 HydrophobicContact CD1-CD1 4.4Å; L8-L12 HydrophobicContact CG-CD1 4.02Å; L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.4Å; L8-L12 PolarHBondContact O-N 2.85Å; L9-L12 PolarHBondContact O-N 2.96Å; L12-V15 PolarHBondContact O-N 3.09Å; L12-C16 PolarHBondContact O-N 2.82Å; L12-C16 PolarHBondContact O-SG 3.37Å; L12-C16 VanDerWaalsContact O-SG 3.39Å
13	S	59.8	Low	57.2	Low	62 Å²	62	88.7 Å²	88.7	43%	0.434	50%	0.496	S	S	.	.	H	α-helix	trans	-60.1	-48.5	174.5	173.9	0	0	0	0	111.1	L9 T10 V11 V15 C16 H17	L9-S13 VanDerWaalsContact O-CB 3.3Å; L9-S13 WeakPolarHBondContact O-CB 3.4Å; L9-S13 PolarHBondContact O-N 3.19Å; T10-S13 PolarHBondContact O-N 3.19Å; V11-S13 PolarHBondContact O-N 2.57Å; S13-V15 PolarHBondContact O-N 2.84Å; S13-C16 PolarHBondContact O-N 2.93Å; S13-H17 PolarHBondContact O-CD2 3.33Å; S13-H17 PolarHBondContact O-N 2.88Å
14	L	58.3	Low	58.2	Low	106 Å²	106	85 Å²	85	56%	0.555	48%	0.483	S	S	*	.	H	α-helix	trans	-62.4	-41.2	178.1	-167.2	66.6	0	0	0	111.8	T10 V11 H17 T18	T10-L14 WeakPolarHBondContact O-CB 3.37Å; T10-L14 PolarHBondContact O-N 2.98Å; V11-L14 PolarHBondContact O-N 3.48Å; L14-H17 PolarHBondContact O-N 2.68Å; L14-T18 WeakPolarHBondContact O-CG2 3.06Å; L14-T18 PolarHBondContact O-N 3.5Å; L14-T18 PolarHBondContact O-OG1 2.95Å
15	V	57.2	Low	59.6	Low	31 Å²	31	85 Å²	85	19%	0.188	47%	0.474	C	S	.	.	H	α-helix	trans	-57	-51.2	173.1	169.4	0	0	0	0	110.7	V11 L12 S13 H17 T18 E19 I298	V11-V15 HydrophobicContact CG1-CG2 4.28Å; V11-V15 WeakPolarHBondContact O-CB 3.4Å; V11-V15 WeakPolarHBondContact O-CG2 3.19Å; V11-V15 PolarHBondContact O-N 2.94Å; L12-V15 PolarHBondContact O-N 3.09Å; S13-V15 PolarHBondContact O-N 2.84Å; V15-H17 VanDerWaalsContact C-N 3.31Å; V15-H17 PolarHBondContact O-N 3.16Å; V15-T18 WeakPolarHBondContact CA-OG1 3.27Å; V15-T18 PolarHBondContact O-N 3.25Å; V15-T18 VanDerWaalsContact O-N 3.08Å; V15-T18 PolarHBondContact O-OG1 3.02Å; V15-E19 PolarHBondContact O-N 3.16Å; V15-I298 HydrophobicContact CB-CG2 4.46Å; V15-I298 HydrophobicContact CG1-CG2 4.01Å; V15-I298 HydrophobicContact CG2-CD1 4.12Å; V15-I298 HydrophobicContact CG2-CG2 4.01Å
16	C	53.8	Low	61	Low	79 Å²	79	83.5 Å²	83.5	53%	0.534	47%	0.467	S	S	.	.	H	α-helix	trans	-63.8	-33.5	178.8	-70.5	0	0	0	0	113.1	L12 S13	L12-C16 PolarHBondContact O-N 2.82Å; L12-C16 PolarHBondContact O-SG 3.37Å; L12-C16 VanDerWaalsContact O-SG 3.39Å; S13-C16 PolarHBondContact O-N 2.93Å
17	H	49.2	Very low	62.3	Low	123 Å²	123	77 Å²	77	57%	0.569	44%	0.443	S	S	*	.	H	α-helix	trans	-68.2	-40.4	170.1	-80	-73.4	0	0	0	112	S13 L14 V15 E19 S20	S13-H17 PolarHBondContact O-CD2 3.33Å; S13-H17 PolarHBondContact O-N 2.88Å; L14-H17 PolarHBondContact O-N 2.68Å; V15-H17 VanDerWaalsContact C-N 3.31Å; V15-H17 PolarHBondContact O-N 3.16Å; H17-E19 PolarHBondContact O-N 2.94Å; H17-S20 WeakPolarHBondContact O-CB 3.25Å; H17-S20 PolarHBondContact O-N 2.92Å; H17-S20 VanDerWaalsContact O-N 3.07Å; H17-S20 PolarHBondContact O-OG 3Å
18	T	48.4	Very low	63.5	Low	22 Å²	22	78.3 Å²	78.3	14%	0.135	44%	0.438	C	S	.	.	H	α-helix	trans	-66.6	-30.9	176.6	56.4	0	0	0	0	113.7	L14 V15 S20 M21 A295	L14-T18 WeakPolarHBondContact O-CG2 3.06Å; L14-T18 PolarHBondContact O-N 3.5Å; L14-T18 PolarHBondContact O-OG1 2.95Å; V15-T18 WeakPolarHBondContact CA-OG1 3.27Å; V15-T18 PolarHBondContact O-N 3.25Å; V15-T18 VanDerWaalsContact O-N 3.08Å; V15-T18 PolarHBondContact O-OG1 3.02Å; T18-S20 PolarHBondContact O-N 3.31Å; T18-S20 VanDerWaalsContact O-N 3.16Å; T18-M21 PolarHBondContact O-N 2.01Å; T18-A295 HydrophobicContact CG2-CB 4.01Å
19	E	48.2	Very low	64.6	Low	106 Å²	106	79.3 Å²	79.3	50%	0.495	44%	0.438	S	S	.	.	H	α-helix	trans	-58.7	-24.8	170.7	-77	-162.2	111.5	0	0	112.8	V15 H17 V302	V15-E19 PolarHBondContact O-N 3.16Å; H17-E19 PolarHBondContact O-N 2.94Å; E19-V302 HydrophobicContact CG-CG1 4.24Å; E19-V302 WeakPolarHBondContact OE1-CG1 3.22Å
20	S	48.8	Very low	65.6	Low	61 Å²	61	78.3 Å²	78.3	43%	0.427	43%	0.433	S	S	.	.	H	α-helix	trans	-80.2	-22.5	176.7	78.6	0	0	0	0	114.2	H17 T18	H17-S20 WeakPolarHBondContact O-CB 3.25Å; H17-S20 PolarHBondContact O-N 2.92Å; H17-S20 VanDerWaalsContact O-N 3.07Å; H17-S20 PolarHBondContact O-OG 3Å; T18-S20 PolarHBondContact O-N 3.31Å; T18-S20 VanDerWaalsContact O-N 3.16Å
21	M	47.2	Very low	66.8	Low	144 Å²	144	74.1 Å²	74.1	71%	0.709	41%	0.408	S	S	*	.	H	α-helix	trans	-80.4	-29	-176.2	-67.3	-67.6	99.2	0	0	113	T18 S23	T18-M21 PolarHBondContact O-N 2.01Å; M21-S23 PolarHBondContact O-N 2.95Å; M21-S23 VanDerWaalsContact O-N 3.09Å
22	C	54.7	Low	68	Low	67 Å²	67	73.7 Å²	73.7	45%	0.453	40%	0.397	S	S	.	.	S	Bend	trans	-81.5	82.4	169.8	-70.6	0	0	0	0	110.6	P24 C299	C22-P24 WeakPolarHBondContact O-CA 3.39Å; C22-P24 WeakPolarHBondContact O-CD 3.39Å; C22-C299 VanDerWaalsContact SG-SG 3.69Å
23	S	56.1	Low	69.6	Low	32 Å²	32	69.3 Å²	69.3	22%	0.224	37%	0.374	C	S	.	.			trans	-32.7	100.9	173	-66.7	0	0	0	0	112.4	M21 T25 R35	M21-S23 PolarHBondContact O-N 2.95Å; M21-S23 VanDerWaalsContact O-N 3.09Å; S23-T25 PolarHBondContact O-N 3.12Å; S23-R35 WeakPolarHBondContact CB-O 3.45Å; S23-R35 PolarHBondContact OG-O 2.91Å
24	P	76.8	Confident	71.2	Confident	77 Å²	77	72.1 Å²	72.1	50%	0.5	38%	0.376	S	S	.	.			trans	-74.9	100.8	-162	25.2	-34.2	0	0	0	111.1	C22 R35	C22-P24 WeakPolarHBondContact O-CA 3.39Å; C22-P24 WeakPolarHBondContact O-CD 3.39Å; P24-R35 HydrophobicContact CG-CB 4.31Å
25	T	84.4	Confident	72.9	Confident	74 Å²	74	71.4 Å²	71.4	45%	0.454	37%	0.366	S	S	.	.			trans	-70.1	129.1	170.6	-55.7	0	0	0	0	109.6	S23 W32 I33 R34	S23-T25 PolarHBondContact O-N 3.12Å; T25-W32 HydrophobicContact CG2-CB 4.36Å; T25-W32 HydrophobicContact CG2-CD2 4.49Å; T25-W32 HydrophobicContact CG2-CE3 3.81Å; T25-W32 HydrophobicContact CG2-CZ3 4.48Å; T25-I33 WeakPolarHBondContact CA-O 3.38Å; T25-R34 HydrophobicContact CG2-CB 4.49Å; T25-R34 WeakPolarHBondContact OG1-CG 3.46Å
26	S	89.1	Confident	74.6	Confident	49 Å²	49	72 Å²	72	34%	0.343	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	149	-179.5	61.7	0	0	0	0	111.3	I33	S26-I33 PolarHBondContact N-O 3.08Å; S26-I33 PolarHBondContact O-N 3.3Å; S26-I33 PolarHBondContact OG-O 3.43Å
27	Y	89.5	Confident	76.4	Confident	65 Å²	65	71.7 Å²	71.7	26%	0.255	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	135.3	176.4	-174.7	-110.4	0	0	0	110.6	N30 C31 W32 D122 P123	Y27-N30 WeakPolarHBondContact OH-CA 3.39Å; Y27-N30 PolarHBondContact OH-N 2.81Å; Y27-N30 PolarHBondContact OH-OD1 3.25Å; Y27-C31 WeakPolarHBondContact CA-O 3.46Å; Y27-C31 VanDerWaalsContact CD2-O 3.29Å; Y27-C31 WeakPolarHBondContact CD2-O 3.33Å; Y27-W32 HydrophobicContact CD2-CD2 4.1Å; Y27-W32 HydrophobicContact CD2-CE3 4.18Å; Y27-W32 HydrophobicContact CD2-CH2 4.44Å; Y27-W32 HydrophobicContact CD2-CZ2 4.31Å; Y27-W32 HydrophobicContact CD2-CZ3 4.37Å; Y27-W32 HydrophobicContact CG-CZ3 4.48Å; Y27-D122 WeakPolarHBondContact OH-CA 3.43Å; Y27-D122 PolarHBondContact OH-N 2.83Å; Y27-P123 HydrophobicContact CD1-CG 4.3Å; Y27-P123 HydrophobicContact CG-CG 4.35Å
28	Y	90.3	Very high	78.4	Confident	60 Å²	60	66.2 Å²	66.2	24%	0.235	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	121.4	173	-176.4	-104.3	0	0	0	109.7	N30 C31 R67 C70 L71	Y28-N30 VanDerWaalsContact C-N 3.33Å; Y28-N30 PolarHBondContact O-N 2.9Å; Y28-N30 VanDerWaalsContact O-N 3.1Å; Y28-C31 PolarHBondContact N-O 3.17Å; Y28-C31 PolarHBondContact O-N 3.26Å; Y28-R67 HydrophobicContact CD1-CB 4.13Å; Y28-R67 HydrophobicContact CD1-CG 3.87Å; Y28-R67 HydrophobicContact CD2-CG 4.35Å; Y28-R67 HydrophobicContact CE1-CB 3.92Å; Y28-R67 HydrophobicContact CE1-CG 3.99Å; Y28-R67 HydrophobicContact CE2-CG 4.46Å; Y28-R67 HydrophobicContact CG-CG 4.07Å; Y28-C70 PolarHBondContact O-SG 3.03Å; Y28-L71 HydrophobicContact CE1-CD1 4.16Å; Y28-L71 HydrophobicContact CE1-CD2 4.34Å; Y28-L71 HydrophobicContact CE1-CG 4.12Å
29	K	86.9	Confident	80.5	Confident	124 Å²	124	67.4 Å²	67.4	54%	0.539	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	39.7	52.8	171.3	-68.4	-179.7	174.8	172	0	114.9	L71	K29-L71 HydrophobicContact CD-CD2 3.72Å
30	N	86.8	Confident	82.6	Confident	97 Å²	97	63.8 Å²	63.8	52%	0.519	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	25.5	178.8	-38.2	-33.4	0	0	0	115.1	Y27 Y28 F75 G120	Y27-N30 WeakPolarHBondContact OH-CA 3.39Å; Y27-N30 PolarHBondContact OH-N 2.81Å; Y27-N30 PolarHBondContact OH-OD1 3.25Å; Y28-N30 VanDerWaalsContact C-N 3.33Å; Y28-N30 PolarHBondContact O-N 2.9Å; Y28-N30 VanDerWaalsContact O-N 3.1Å; N30-F75 WeakPolarHBondContact O-CE1 3.17Å; N30-G120 CarbonylContact C-O 3.55Å; N30-G120 WeakPolarHBondContact CA-O 3.19Å; N30-G120 PolarHBondContact O-N 3.41Å; N30-G120 VanDerWaalsContact O-O 3.11Å
31	C	91.4	Very high	84.7	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.007	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148	165.1	-38.1	0	0	0	0	111.3	Y27 Y28 I33 C70 I117 T118	Y27-C31 WeakPolarHBondContact CA-O 3.46Å; Y27-C31 VanDerWaalsContact CD2-O 3.29Å; Y27-C31 WeakPolarHBondContact CD2-O 3.33Å; Y28-C31 PolarHBondContact N-O 3.17Å; Y28-C31 PolarHBondContact O-N 3.26Å; C31-I33 HydrophobicContact CB-CG1 4.48Å; C31-C70 HydrophobicContact CB-CB 3.72Å; C31-C70 WeakPolarHBondContact CB-SG 3.27Å; C31-C70 WeakPolarHBondContact SG-CA 3.46Å; C31-C70 WeakPolarHBondContact SG-CB 3.18Å; C31-C70 PolarHBondContact SG-O 2.95Å; C31-C70 CovalentContact SG-SG 2.03Å; C31-C70 PolarHBondContact SG-SG 3.4Å; C31-I117 HydrophobicContact CB-CG2 4.05Å; C31-T118 CarbonylContact C-O 3.58Å; C31-T118 VanDerWaalsContact CA-O 3.24Å; C31-T118 WeakPolarHBondContact CA-O 3.34Å
32	W	91.6	Very high	86.9	Confident	73 Å²	73	56.5 Å²	56.5	28%	0.277	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.2	158.8	-65.6	110.1	0	0	0	109.3	T25 Y27 I117 T118 P123 L126	T25-W32 HydrophobicContact CG2-CB 4.36Å; T25-W32 HydrophobicContact CG2-CD2 4.49Å; T25-W32 HydrophobicContact CG2-CE3 3.81Å; T25-W32 HydrophobicContact CG2-CZ3 4.48Å; Y27-W32 HydrophobicContact CD2-CD2 4.1Å; Y27-W32 HydrophobicContact CD2-CE3 4.18Å; Y27-W32 HydrophobicContact CD2-CH2 4.44Å; Y27-W32 HydrophobicContact CD2-CZ2 4.31Å; Y27-W32 HydrophobicContact CD2-CZ3 4.37Å; Y27-W32 HydrophobicContact CG-CZ3 4.48Å; W32-I117 WeakPolarHBondContact O-CA 3.33Å; W32-T118 PolarHBondContact N-O 3.1Å; W32-T118 PolarHBondContact O-N 3.41Å; W32-P123 HydrophobicContact CH2-CB 3.96Å; W32-P123 HydrophobicContact CH2-CG 4.21Å; W32-P123 HydrophobicContact CZ2-CB 4.41Å; W32-L126 HydrophobicContact CZ2-CD1 4.1Å
33	I	93.8	Very high	88.7	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	108.8	179.9	-54.9	-180	0	0	0	107.5	T25 S26 C31 R67 C70 Y115 N116 I117	T25-I33 WeakPolarHBondContact CA-O 3.38Å; S26-I33 PolarHBondContact N-O 3.08Å; S26-I33 PolarHBondContact O-N 3.3Å; S26-I33 PolarHBondContact OG-O 3.43Å; C31-I33 HydrophobicContact CB-CG1 4.48Å; I33-R67 HydrophobicContact CD1-CG 4.29Å; I33-C70 HydrophobicContact CD1-CB 4.15Å; I33-Y115 HydrophobicContact CG2-CD1 3.72Å; I33-Y115 HydrophobicContact CG2-CE1 4.49Å; I33-Y115 HydrophobicContact CG2-CG 4.35Å; I33-N116 WeakPolarHBondContact CA-O 3.34Å; I33-I117 HydrophobicContact CG1-CG1 4.34Å
34	R	93	Very high	90.4	Very high	122 Å²	122	58.3 Å²	58.3	46%	0.46	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.8	178.6	-176	174.4	175.9	-166.5	-2.1	110.3	T25 F36 Y115 N116	T25-R34 HydrophobicContact CG2-CB 4.49Å; T25-R34 WeakPolarHBondContact OG1-CG 3.46Å; R34-F36 HydrophobicContact CB-CE2 4.19Å; R34-F36 HydrophobicContact CG-CE2 3.78Å; R34-F36 HydrophobicContact CG-CZ 3.77Å; R34-Y115 WeakPolarHBondContact O-CA 3.42Å; R34-N116 PolarHBondContact N-O 3Å; R34-N116 PolarHBondContact O-N 2.86Å
35	R	93.2	Very high	91.3	Very high	91 Å²	91	56.6 Å²	56.6	34%	0.343	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.9	-173.4	-176.3	-178.2	-179.9	160.1	5.5	112.4	S23 P24 V113 Y115	S23-R35 WeakPolarHBondContact CB-O 3.45Å; S23-R35 PolarHBondContact OG-O 2.91Å; P24-R35 HydrophobicContact CG-CB 4.31Å; R35-V113 HydrophobicContact CG-CG2 3.52Å; R35-Y115 HydrophobicContact CB-CD1 3.97Å; R35-Y115 HydrophobicContact CB-CE1 3.75Å; R35-Y115 HydrophobicContact CG-CD1 4.18Å; R35-Y115 HydrophobicContact CG-CE1 3.64Å
36	F	92.7	Very high	91.8	Very high	42 Å²	42	53 Å²	53	18%	0.184	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	98.7	174.3	-58.5	-86.5	0	0	0	109.9	R34 I39 L114 N116	R34-F36 HydrophobicContact CB-CE2 4.19Å; R34-F36 HydrophobicContact CG-CE2 3.78Å; R34-F36 HydrophobicContact CG-CZ 3.77Å; F36-I39 HydrophobicContact CB-CB 4.32Å; F36-I39 HydrophobicContact CB-CD1 3.91Å; F36-I39 HydrophobicContact CB-CG1 4.17Å; F36-I39 HydrophobicContact CD1-CD1 4.21Å; F36-I39 HydrophobicContact CG-CD1 4.31Å; F36-L114 HydrophobicContact CB-CB 4.34Å; F36-L114 PolarHBondContact N-O 3.39Å; F36-L114 PolarHBondContact O-N 2.97Å; F36-N116 HydrophobicContact CE2-CB 3.86Å
37	P	92.4	Very high	92.1	Very high	74 Å²	74	54.8 Å²	54.8	48%	0.481	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	155	170.9	31.8	-34.5	0	0	0	110.5	I39	P37-I39 PolarHBondContact O-N 2.98Å
38	G	91.1	Very high	92.3	Very high	7 Å²	7	59.8 Å²	59.8	7%	0.072	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75	-16.4	175.4	0	0	0	0	0	115.7	H108 R109 V112	G38-H108 CarbonylContact O-C 3.45Å; G38-H108 WeakPolarHBondContact O-CA 3.48Å; G38-H108 PolarHBondContact O-CD2 3.48Å; G38-R109 CarbonylContact C-O 3.44Å; G38-R109 WeakPolarHBondContact CA-O 3.42Å; G38-R109 PolarHBondContact O-N 3.39Å; G38-R109 VanDerWaalsContact O-O 3.11Å; G38-V112 PolarHBondContact N-O 2.75Å; G38-V112 VanDerWaalsContact N-O 3.15Å
39	I	91.6	Very high	92.6	Very high	47 Å²	47	63.2 Å²	63.2	24%	0.241	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.2	177.4	-52.4	-171.2	0	0	0	110.3	F36 P37 L106 V112 L114	F36-I39 HydrophobicContact CB-CB 4.32Å; F36-I39 HydrophobicContact CB-CD1 3.91Å; F36-I39 HydrophobicContact CB-CG1 4.17Å; F36-I39 HydrophobicContact CD1-CD1 4.21Å; F36-I39 HydrophobicContact CG-CD1 4.31Å; P37-I39 PolarHBondContact O-N 2.98Å; I39-L106 HydrophobicContact CG2-CB 4.29Å; I39-L106 HydrophobicContact CG2-CD2 4.23Å; I39-V112 WeakPolarHBondContact O-CG2 3.37Å; I39-L114 HydrophobicContact CB-CB 4.24Å; I39-L114 HydrophobicContact CB-CD2 4.31Å; I39-L114 HydrophobicContact CG2-CB 4.48Å; I39-L114 HydrophobicContact CG2-CD2 3.73Å; I39-L114 WeakPolarHBondContact O-CB 3.05Å
40	F	92.9	Very high	92.9	Very high	30 Å²	30	59.2 Å²	59.2	13%	0.132	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	165.7	171	-177.7	-124.2	0	0	0	110.1	I81 H83 L106 S107 R109 V112	F40-I81 HydrophobicContact CD2-CD1 4.38Å; F40-I81 HydrophobicContact CD2-CG2 4.21Å; F40-I81 HydrophobicContact CE2-CD1 4.28Å; F40-H83 AromaticContact CD2-CE1 3.89Å; F40-H83 AromaticContact CE2-CE1 3.39Å; F40-H83 WeakPolarHBondContact CE2-CE1 3.03Å; F40-H83 AromaticContact CE2-NE2 3.59Å; F40-L106 WeakPolarHBondContact O-CA 3.49Å; F40-S107 PolarHBondContact N-O 2.99Å; F40-S107 PolarHBondContact O-N 3.4Å; F40-R109 HydrophobicContact CB-CB 4.16Å; F40-V112 HydrophobicContact CB-CG2 3.86Å; F40-V112 HydrophobicContact CD2-CG1 4.36Å; F40-V112 HydrophobicContact CD2-CG2 4.48Å
41	I	93.1	Very high	93.3	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126	167.1	-52.3	-178.2	0	0	0	106.8	I43 S46 L79 I81 L96 C104 I105 L106 L114	I41-I43 PolarHBondContact O-N 2.88Å; I41-I43 VanDerWaalsContact O-N 3.16Å; I41-S46 WeakPolarHBondContact CG2-OG 3.43Å; I41-L79 HydrophobicContact CD1-CB 4.3Å; I41-L79 HydrophobicContact CD1-CD1 4.14Å; I41-I81 HydrophobicContact CB-CD1 3.85Å; I41-I81 HydrophobicContact CD1-CD1 4.44Å; I41-I81 HydrophobicContact CG1-CD1 4.12Å; I41-L96 HydrophobicContact CD1-CD1 4.17Å; I41-C104 HydrophobicContact CD1-CB 4.43Å; I41-C104 HydrophobicContact CG2-CB 3.95Å; I41-I105 WeakPolarHBondContact CA-O 3.3Å; I41-L106 HydrophobicContact CD1-CD2 4.34Å; I41-L106 HydrophobicContact CG1-CD2 3.9Å; I41-L114 HydrophobicContact CD1-CD1 3.66Å; I41-L114 HydrophobicContact CD1-CD2 4.17Å; I41-L114 HydrophobicContact CG1-CD1 4.05Å; I41-L114 HydrophobicContact CG1-CD2 4.16Å
42	D	93.3	Very high	93.5	Very high	53 Å²	53	60 Å²	60	28%	0.283	28%	0.277	S	S	.	.			trans	-67.2	108.9	172.5	-174.5	-52.5	0	0	0	108.8	E44 E45 S46 I105	D42-E44 VanDerWaalsContact C-N 3.32Å; D42-E44 PolarHBondContact O-N 2.88Å; D42-E44 PolarHBondContact OD1-N 2.93Å; D42-E45 HydrophobicContact CB-CB 4.06Å; D42-E45 WeakPolarHBondContact OD1-CB 3.37Å; D42-E45 PolarHBondContact OD1-N 3.01Å; D42-S46 WeakPolarHBondContact O-CB 3.44Å; D42-S46 PolarHBondContact O-N 3.13Å; D42-S46 PolarHBondContact O-OG 2.8Å; D42-I105 PolarHBondContact N-O 3.46Å
43	I	92.3	Very high	93.6	Very high	20 Å²	20	60 Å²	60	10%	0.103	28%	0.282	C	S	.	.	H	α-helix	trans	-73.4	-31	-168	-66	163.9	0	0	0	110.4	I41 Q47 L53 I81 V94	I41-I43 PolarHBondContact O-N 2.88Å; I41-I43 VanDerWaalsContact O-N 3.16Å; I43-Q47 WeakPolarHBondContact O-CB 3.35Å; I43-Q47 VanDerWaalsContact O-CG 3.27Å; I43-Q47 WeakPolarHBondContact O-CG 3.29Å; I43-Q47 PolarHBondContact O-N 3.45Å; I43-Q47 VanDerWaalsContact O-N 3.09Å; I43-Q47 PolarHBondContact O-NE2 2.93Å; I43-L53 HydrophobicContact CG2-CD2 4.48Å; I43-I81 HydrophobicContact CG1-CD1 4.48Å; I43-V94 HydrophobicContact CD1-CG1 3.97Å; I43-V94 HydrophobicContact CD1-CG2 4.19Å
44	E	93.2	Very high	93.6	Very high	116 Å²	116	63 Å²	63	54%	0.542	30%	0.298	S	S	.	.	H	α-helix	trans	-80.9	-43.1	-174.8	-65.8	62.4	-139.3	0	0	111.6	D42 R48	D42-E44 VanDerWaalsContact C-N 3.32Å; D42-E44 PolarHBondContact O-N 2.88Å; D42-E44 PolarHBondContact OD1-N 2.93Å; E44-R48 WeakPolarHBondContact O-CG 3.34Å; E44-R48 PolarHBondContact O-N 2.89Å; E44-R48 PolarHBondContact O-NE 2.96Å
45	E	94.8	Very high	93.6	Very high	41 Å²	41	64 Å²	64	19%	0.192	30%	0.302	C	S	.	.	H	α-helix	trans	-68.5	-41.6	170.3	-178.9	68.5	-142.9	0	0	111.5	D42 R48 R49 I105	D42-E45 HydrophobicContact CB-CB 4.06Å; D42-E45 WeakPolarHBondContact OD1-CB 3.37Å; D42-E45 PolarHBondContact OD1-N 3.01Å; E45-R48 VanDerWaalsContact CA-NH2 3.29Å; E45-R48 VanDerWaalsContact CD-NH1 3.33Å; E45-R48 WeakPolarHBondContact O-CB 3.47Å; E45-R48 PolarHBondContact O-N 2.75Å; E45-R48 IonicContact OE1-NH1 3.59Å; E45-R48 IonicContact OE2-CZ 3.12Å; E45-R48 IonicContact OE2-NH1 2.7Å; E45-R48 PolarHBondContact OE2-NH1 2.8Å; E45-R48 IonicContact OE2-NH2 2.73Å; E45-R48 PolarHBondContact OE2-NH2 2.8Å; E45-R49 PolarHBondContact O-N 3.26Å; E45-R49 IonicContact OE1-CZ 2.76Å; E45-R49 IonicContact OE1-NE 2.7Å; E45-R49 PolarHBondContact OE1-NE 3.45Å; E45-R49 IonicContact OE1-NH2 2.7Å; E45-R49 PolarHBondContact OE1-NH2 2.03Å; E45-I105 HydrophobicContact CG-CB 4.06Å; E45-I105 HydrophobicContact CG-CG1 3.61Å; E45-I105 HydrophobicContact CG-CG2 4.38Å
46	S	94.8	Very high	93.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.7	-40	-179.2	-59.4	0	0	0	0	112.2	I41 D42 R48 R49 G50 A51 S103 C104 I105	I41-S46 WeakPolarHBondContact CG2-OG 3.43Å; D42-S46 WeakPolarHBondContact O-CB 3.44Å; D42-S46 PolarHBondContact O-N 3.13Å; D42-S46 PolarHBondContact O-OG 2.8Å; S46-R48 VanDerWaalsContact C-N 3.3Å; S46-R48 PolarHBondContact O-N 3.03Å; S46-R49 CarbonylContact O-C 3.54Å; S46-R49 WeakPolarHBondContact O-CA 3.47Å; S46-R49 PolarHBondContact O-N 3.49Å; S46-G50 PolarHBondContact O-N 3.15Å; S46-A51 VanDerWaalsContact O-CB 3.25Å; S46-A51 WeakPolarHBondContact O-CB 3.45Å; S46-A51 PolarHBondContact O-N 2.89Å; S46-S103 CarbonylContact C-O 3.34Å; S46-S103 WeakPolarHBondContact CA-O 3.34Å; S46-S103 VanDerWaalsContact CB-O 3.27Å; S46-S103 WeakPolarHBondContact CB-O 3.24Å; S46-C104 WeakPolarHBondContact OG-CA 3.3Å; S46-I105 PolarHBondContact OG-N 3.3Å
47	Q	94.6	Very high	93.7	Very high	85 Å²	85	61.7 Å²	61.7	40%	0.397	30%	0.301	S	S	.	.	H	α-helix	trans	-62.5	-37.6	173.5	-78.4	175.8	105.8	0	0	112.1	I43 R49 G50	I43-Q47 WeakPolarHBondContact O-CB 3.35Å; I43-Q47 VanDerWaalsContact O-CG 3.27Å; I43-Q47 WeakPolarHBondContact O-CG 3.29Å; I43-Q47 PolarHBondContact O-N 3.45Å; I43-Q47 VanDerWaalsContact O-N 3.09Å; I43-Q47 PolarHBondContact O-NE2 2.93Å; Q47-R49 PolarHBondContact O-N 3.4Å; Q47-G50 PolarHBondContact O-N 2.9Å
48	R	95.6	Very high	93.7	Very high	171 Å²	171	62.4 Å²	62.4	65%	0.645	31%	0.305	S	S	*	.	H	α-helix	trans	-64.3	-16.1	171.7	-73.3	-177.5	-73.9	109.2	-5.7	113.6	E44 E45 S46	E44-R48 WeakPolarHBondContact O-CG 3.34Å; E44-R48 PolarHBondContact O-N 2.89Å; E44-R48 PolarHBondContact O-NE 2.96Å; E45-R48 VanDerWaalsContact CA-NH2 3.29Å; E45-R48 VanDerWaalsContact CD-NH1 3.33Å; E45-R48 WeakPolarHBondContact O-CB 3.47Å; E45-R48 PolarHBondContact O-N 2.75Å; E45-R48 IonicContact OE1-NH1 3.59Å; E45-R48 IonicContact OE2-CZ 3.12Å; E45-R48 IonicContact OE2-NH1 2.7Å; E45-R48 PolarHBondContact OE2-NH1 2.8Å; E45-R48 IonicContact OE2-NH2 2.73Å; E45-R48 PolarHBondContact OE2-NH2 2.8Å; S46-R48 VanDerWaalsContact C-N 3.3Å; S46-R48 PolarHBondContact O-N 3.03Å
49	R	95.6	Very high	93.9	Very high	132 Å²	132	63.6 Å²	63.6	50%	0.498	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	16.9	173	-59.4	-178.9	-172	-128.5	-3.2	113.8	E45 S46 Q47 E102 S103	E45-R49 PolarHBondContact O-N 3.26Å; E45-R49 IonicContact OE1-CZ 2.76Å; E45-R49 IonicContact OE1-NE 2.7Å; E45-R49 PolarHBondContact OE1-NE 3.45Å; E45-R49 IonicContact OE1-NH2 2.7Å; E45-R49 PolarHBondContact OE1-NH2 2.03Å; S46-R49 CarbonylContact O-C 3.54Å; S46-R49 WeakPolarHBondContact O-CA 3.47Å; S46-R49 PolarHBondContact O-N 3.49Å; Q47-R49 PolarHBondContact O-N 3.4Å; R49-E102 WeakPolarHBondContact CD-O 3.07Å; R49-S103 WeakPolarHBondContact O-CA 3.27Å; R49-S103 VanDerWaalsContact O-CB 3.26Å; R49-S103 WeakPolarHBondContact O-CB 3.28Å; R49-S103 PolarHBondContact O-OG 3.29Å
50	G	93.8	Very high	93.8	Very high	40 Å²	40	68.6 Å²	68.6	41%	0.412	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	12	173.5	0	0	0	0	0	115.6	S46 Q47 P99	S46-G50 PolarHBondContact O-N 3.15Å; Q47-G50 PolarHBondContact O-N 2.9Å; G50-P99 WeakPolarHBondContact O-CD 3.38Å; G50-P99 WeakPolarHBondContact O-CG 3.44Å
51	A	95.4	Very high	93.8	Very high	7 Å²	7	70 Å²	70	6%	0.058	34%	0.343	C	S	.	.			trans	-64.6	149.7	161.5	0	0	0	0	0	110.6	S46 H97 C104	S46-A51 VanDerWaalsContact O-CB 3.25Å; S46-A51 WeakPolarHBondContact O-CB 3.45Å; S46-A51 PolarHBondContact O-N 2.89Å; A51-H97 CarbonylContact C-O 3.56Å; A51-H97 WeakPolarHBondContact CA-O 3Å; A51-C104 WeakPolarHBondContact CB-SG 3.48Å
52	Q	94.9	Very high	93.8	Very high	106 Å²	106	70.5 Å²	70.5	50%	0.495	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.3	-179	-53	171.8	7.5	0	0	108.9	L54 L96 H97	Q52-L54 HydrophobicContact CB-CD2 4.31Å; Q52-L54 PolarHBondContact O-N 3.43Å; Q52-L96 WeakPolarHBondContact O-CA 3.29Å; Q52-H97 HydrophobicContact CB-CB 4.2Å; Q52-H97 PolarHBondContact N-O 2.79Å; Q52-H97 PolarHBondContact O-N 2.88Å
53	L	94.4	Very high	93.8	Very high	73 Å²	73	71.6 Å²	71.6	38%	0.382	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	112.4	168.8	176.7	58.4	0	0	0	108.7	I43 V94 L96	I43-L53 HydrophobicContact CG2-CD2 4.48Å; L53-V94 HydrophobicContact CD1-CG1 3.53Å; L53-L96 HydrophobicContact CB-CD2 4.46Å; L53-L96 HydrophobicContact CD1-CD2 4.4Å
54	L	94.3	Very high	93.9	Very high	65 Å²	65	74.6 Å²	74.6	34%	0.34	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-37	-175.5	-57.3	177.1	0	0	0	112.3	Q52 C77 H95 H97	Q52-L54 HydrophobicContact CB-CD2 4.31Å; Q52-L54 PolarHBondContact O-N 3.43Å; L54-C77 VanDerWaalsContact CD1-CA 3.4Å; L54-C77 HydrophobicContact CD1-CB 3.68Å; L54-H95 HydrophobicContact CB-CB 4.24Å; L54-H95 WeakPolarHBondContact CB-O 3.42Å; L54-H95 PolarHBondContact N-O 2.03Å; L54-H97 HydrophobicContact CD1-CB 4.14Å; L54-H97 HydrophobicContact CD2-CB 4.15Å; L54-H97 HydrophobicContact CG-CB 4.29Å
55	R	92.4	Very high	94	Very high	143 Å²	143	69 Å²	69	54%	0.54	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	140.8	-178	-159.7	178.2	179.4	138.5	3.5	110.4	Y57 H95	R55-Y57 HydrophobicContact CG-CD1 3.8Å; R55-Y57 HydrophobicContact CG-CE1 4.45Å; R55-H95 HydrophobicContact CB-CB 4.05Å; R55-H95 PolarHBondContact N-O 3.11Å; R55-H95 PolarHBondContact O-N 3.23Å
56	S	93.6	Very high	94	Very high	55 Å²	55	67.1 Å²	67.1	39%	0.385	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131	163.2	-171	0	0	0	0	107.7	V91 C93	S56-V91 WeakPolarHBondContact OG-CB 3.39Å; S56-C93 WeakPolarHBondContact CA-O 3.48Å
57	Y	93.7	Very high	94.1	Very high	30 Å²	30	71.9 Å²	71.9	12%	0.118	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	156.2	-177.8	72.7	-76	0	0	0	113.3	R55 E59 S68 C93 H95	R55-Y57 HydrophobicContact CG-CD1 3.8Å; R55-Y57 HydrophobicContact CG-CE1 4.45Å; Y57-E59 HydrophobicContact CD2-CB 4.37Å; Y57-E59 HydrophobicContact CE2-CB 3.85Å; Y57-E59 HydrophobicContact CE2-CG 4.26Å; Y57-E59 VanDerWaalsContact CE2-OE2 3.29Å; Y57-E59 WeakPolarHBondContact CE2-OE2 3.45Å; Y57-E59 PolarHBondContact OH-OE2 2.98Å; Y57-S68 WeakPolarHBondContact OH-CB 3.4Å; Y57-S68 PolarHBondContact OH-OG 3.41Å; Y57-C93 HydrophobicContact CD1-CB 4.24Å; Y57-C93 HydrophobicContact CE1-CB 4Å; Y57-C93 WeakPolarHBondContact CE1-SG 3.24Å; Y57-C93 PolarHBondContact N-O 3.24Å; Y57-C93 WeakPolarHBondContact O-CB 3.23Å; Y57-C93 PolarHBondContact O-N 3.07Å; Y57-H95 AromaticContact CE1-CE1 3.76Å; Y57-H95 AromaticContact CE1-NE2 3.84Å
58	P	93.6	Very high	94.1	Very high	89 Å²	89	69.5 Å²	69.5	58%	0.578	34%	0.34	S	S	*	.			trans	-72.4	133.3	169.5	28.9	-34.8	0	0	0	111.7	N90	P58-N90 WeakPolarHBondContact CB-O 3.18Å
59	E	94.3	Very high	94.1	Very high	32 Å²	32	61.4 Å²	61.4	15%	0.15	31%	0.31	C	S	.	.			trans	-140.5	139.6	-177.1	179.5	68.2	-91.5	0	0	109.7	Y57 T61 K64 C65 F82 N92 C93	Y57-E59 HydrophobicContact CD2-CB 4.37Å; Y57-E59 HydrophobicContact CE2-CB 3.85Å; Y57-E59 HydrophobicContact CE2-CG 4.26Å; Y57-E59 VanDerWaalsContact CE2-OE2 3.29Å; Y57-E59 WeakPolarHBondContact CE2-OE2 3.45Å; Y57-E59 PolarHBondContact OH-OE2 2.98Å; E59-T61 VanDerWaalsContact C-N 3.29Å; E59-T61 WeakPolarHBondContact CG-O 3.33Å; E59-T61 PolarHBondContact O-N 3.19Å; E59-K64 HydrophobicContact CG-CB 3.79Å; E59-K64 WeakPolarHBondContact OE1-CB 3.29Å; E59-K64 WeakPolarHBondContact OE1-CD 3.29Å; E59-K64 WeakPolarHBondContact OE2-CB 3.15Å; E59-C65 HydrophobicContact CG-CB 4.01Å; E59-F82 HydrophobicContact CB-CE2 4.3Å; E59-F82 WeakPolarHBondContact O-CE2 3.03Å; E59-N92 PolarHBondContact N-OD1 3.07Å; E59-N92 PolarHBondContact O-ND2 2.92Å; E59-N92 PolarHBondContact O-OD1 2.64Å; E59-N92 VanDerWaalsContact O-OD1 3.13Å; E59-C93 HydrophobicContact CB-CB 3.61Å; E59-C93 HydrophobicContact CG-CB 4.32Å
60	E	90.5	Very high	94	Very high	152 Å²	152	55.5 Å²	55.5	71%	0.71	29%	0.288	S	S	*	.	S	Bend	trans	-68.5	-26.9	-175.8	-70.4	160.2	-122.7	0	0	113.4	K64	E60-K64 HydrophobicContact CB-CD 4.4Å; E60-K64 IonicContact OE1-NZ 3.18Å; E60-K64 PolarHBondContact OE1-NZ 2.84Å; E60-K64 IonicContact OE2-NZ 2.71Å; E60-K64 PolarHBondContact OE2-NZ 3.18Å
61	T	92.4	Very high	94	Very high	61 Å²	61	58 Å²	58	37%	0.374	29%	0.292	S	S	.	.			trans	-150.6	145.7	-175.1	67	0	0	0	0	113.8	E59 L63 K64 C65 F82	E59-T61 VanDerWaalsContact C-N 3.29Å; E59-T61 WeakPolarHBondContact CG-O 3.33Å; E59-T61 PolarHBondContact O-N 3.19Å; T61-L63 PolarHBondContact O-N 2.96Å; T61-K64 PolarHBondContact O-N 3.35Å; T61-K64 WeakPolarHBondContact OG1-CG 3.36Å; T61-K64 PolarHBondContact OG1-N 3.03Å; T61-K64 VanDerWaalsContact OG1-N 3.14Å; T61-C65 PolarHBondContact O-N 2.66Å; T61-F82 VanDerWaalsContact C-CE2 3.49Å
62	A	93.1	Very high	93.7	Very high	9 Å²	9	59.9 Å²	59.9	7%	0.074	30%	0.303	C	S	.	.	H	α-helix	trans	-49.2	-32	169.2	0	0	0	0	0	114.6	S66 F82 F84 V113 Y115	A62-S66 PolarHBondContact O-N 3.25Å; A62-S66 PolarHBondContact O-OG 2.96Å; A62-F82 VanDerWaalsContact CA-CG 3.4Å; A62-F82 HydrophobicContact CB-CB 3.74Å; A62-F82 HydrophobicContact CB-CD1 3.54Å; A62-F82 HydrophobicContact CB-CD2 4.29Å; A62-F82 HydrophobicContact CB-CE1 4.17Å; A62-F82 HydrophobicContact CB-CG 3.59Å; A62-F84 HydrophobicContact CB-CE1 4.44Å; A62-F84 HydrophobicContact CB-CZ 4.32Å; A62-V113 HydrophobicContact CB-CG1 3.84Å; A62-Y115 HydrophobicContact CB-CE2 3.94Å; A62-Y115 WeakPolarHBondContact CB-OH 3.28Å; A62-Y115 WeakPolarHBondContact O-CE2 3.41Å
63	L	93.1	Very high	93	Very high	76 Å²	76	65 Å²	65	40%	0.398	32%	0.318	S	S	.	.	H	α-helix	trans	-81.1	-29.3	179.7	-169.7	63.5	0	0	0	113.1	T61 R67	T61-L63 PolarHBondContact O-N 2.96Å; L63-R67 WeakPolarHBondContact O-CB 3.39Å; L63-R67 VanDerWaalsContact O-CD 3.31Å; L63-R67 WeakPolarHBondContact O-CD 3.03Å; L63-R67 WeakPolarHBondContact O-CG 3.03Å; L63-R67 PolarHBondContact O-N 3.25Å
64	K	94.8	Very high	92	Very high	83 Å²	83	69.2 Å²	69.2	36%	0.361	34%	0.341	S	S	.	.	H	α-helix	trans	-68.9	-46	167.3	-73.6	-179.2	179.1	-176.4	0	109.8	E59 E60 T61 S66 R67 S68	E59-K64 HydrophobicContact CG-CB 3.79Å; E59-K64 WeakPolarHBondContact OE1-CB 3.29Å; E59-K64 WeakPolarHBondContact OE1-CD 3.29Å; E59-K64 WeakPolarHBondContact OE2-CB 3.15Å; E60-K64 HydrophobicContact CB-CD 4.4Å; E60-K64 IonicContact OE1-NZ 3.18Å; E60-K64 PolarHBondContact OE1-NZ 2.84Å; E60-K64 IonicContact OE2-NZ 2.71Å; E60-K64 PolarHBondContact OE2-NZ 3.18Å; T61-K64 PolarHBondContact O-N 3.35Å; T61-K64 WeakPolarHBondContact OG1-CG 3.36Å; T61-K64 PolarHBondContact OG1-N 3.03Å; T61-K64 VanDerWaalsContact OG1-N 3.14Å; K64-S66 PolarHBondContact O-N 3.08Å; K64-R67 PolarHBondContact O-N 3.13Å; K64-S68 WeakPolarHBondContact O-CB 3.34Å; K64-S68 PolarHBondContact O-N 3.34Å
65	C	95.4	Very high	91	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-51.6	-52.6	179.1	-175.8	0	0	0	0	113	E59 T61 S68 C69 I81 F82 C93 H95	E59-C65 HydrophobicContact CG-CB 4.01Å; T61-C65 PolarHBondContact O-N 2.66Å; C65-S68 WeakPolarHBondContact O-CB 3.15Å; C65-S68 PolarHBondContact O-N 3.02Å; C65-C69 PolarHBondContact O-N 2.7Å; C65-C69 VanDerWaalsContact O-N 3.13Å; C65-I81 PolarHBondContact SG-O 3.26Å; C65-I81 VanDerWaalsContact SG-O 3.39Å; C65-F82 HydrophobicContact CB-CD2 3.98Å; C65-C93 WeakPolarHBondContact CA-SG 3.4Å; C65-C93 HydrophobicContact CB-CB 3.78Å; C65-C93 WeakPolarHBondContact CB-SG 3.2Å; C65-C93 WeakPolarHBondContact SG-CB 3.49Å; C65-C93 CovalentContact SG-SG 2.03Å; C65-C93 PolarHBondContact SG-SG 3.16Å; C65-H95 PolarHBondContact O-NE2 2.86Å
66	S	94.7	Very high	90.9	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-71.4	-32	-179.6	50.3	0	0	0	0	114.2	A62 K64 C70 Y115	A62-S66 PolarHBondContact O-N 3.25Å; A62-S66 PolarHBondContact O-OG 2.96Å; K64-S66 PolarHBondContact O-N 3.08Å; S66-C70 PolarHBondContact O-N 3.3Å; S66-Y115 VanDerWaalsContact CB-CG 3.43Å
67	R	95.2	Very high	90.9	Very high	100 Å²	100	62.1 Å²	62.1	38%	0.377	31%	0.31	S	S	.	.	H	α-helix	trans	-69.3	-35	171.7	-74.4	173.4	174.8	167.6	-2.3	112.6	Y28 I33 L63 K64 C70 L71	Y28-R67 HydrophobicContact CD1-CB 4.13Å; Y28-R67 HydrophobicContact CD1-CG 3.87Å; Y28-R67 HydrophobicContact CD2-CG 4.35Å; Y28-R67 HydrophobicContact CE1-CB 3.92Å; Y28-R67 HydrophobicContact CE1-CG 3.99Å; Y28-R67 HydrophobicContact CE2-CG 4.46Å; Y28-R67 HydrophobicContact CG-CG 4.07Å; I33-R67 HydrophobicContact CD1-CG 4.29Å; L63-R67 WeakPolarHBondContact O-CB 3.39Å; L63-R67 VanDerWaalsContact O-CD 3.31Å; L63-R67 WeakPolarHBondContact O-CD 3.03Å; L63-R67 WeakPolarHBondContact O-CG 3.03Å; L63-R67 PolarHBondContact O-N 3.25Å; K64-R67 PolarHBondContact O-N 3.13Å; R67-C70 PolarHBondContact O-N 2.9Å; R67-L71 WeakPolarHBondContact O-CG 3.36Å; R67-L71 PolarHBondContact O-N 3.14Å; R67-L71 VanDerWaalsContact O-N 3.08Å
68	S	95.6	Very high	90.9	Very high	36 Å²	36	62.7 Å²	62.7	25%	0.252	32%	0.315	S	S	.	.	H	α-helix	trans	-63.6	-44.9	175.3	-171.3	0	0	0	0	110.8	Y57 K64 C65 C70 L71 T72	Y57-S68 WeakPolarHBondContact OH-CB 3.4Å; Y57-S68 PolarHBondContact OH-OG 3.41Å; K64-S68 WeakPolarHBondContact O-CB 3.34Å; K64-S68 PolarHBondContact O-N 3.34Å; C65-S68 WeakPolarHBondContact O-CB 3.15Å; C65-S68 PolarHBondContact O-N 3.02Å; S68-C70 PolarHBondContact O-N 2.95Å; S68-L71 PolarHBondContact O-N 3Å; S68-L71 VanDerWaalsContact O-N 3.08Å; S68-T72 PolarHBondContact O-N 3.2Å; S68-T72 PolarHBondContact O-OG1 3.45Å
69	C	95.1	Very high	91	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-55.5	-49.9	171.9	179.1	0	0	0	0	112.1	C65 L71 T72 C77 A80 H95 I117	C65-C69 PolarHBondContact O-N 2.7Å; C65-C69 VanDerWaalsContact O-N 3.13Å; C69-L71 VanDerWaalsContact C-N 3.26Å; C69-L71 PolarHBondContact O-N 2.7Å; C69-T72 WeakPolarHBondContact O-CB 3.44Å; C69-T72 PolarHBondContact O-N 2.8Å; C69-T72 PolarHBondContact O-OG1 3.32Å; C69-T72 VanDerWaalsContact O-OG1 3.11Å; C69-C77 VanDerWaalsContact CA-SG 3.59Å; C69-C77 HydrophobicContact CB-CB 4Å; C69-C77 WeakPolarHBondContact CB-SG 3.45Å; C69-C77 VanDerWaalsContact SG-C 3.6Å; C69-C77 WeakPolarHBondContact SG-CB 3.38Å; C69-C77 CovalentContact SG-SG 2.03Å; C69-C77 PolarHBondContact SG-SG 3.04Å; C69-A80 HydrophobicContact CB-CB 3.77Å; C69-H95 PolarHBondContact N-CE1 3.36Å; C69-H95 VanDerWaalsContact N-CE1 3.25Å; C69-I117 HydrophobicContact CB-CD1 4.1Å; C69-I117 HydrophobicContact CB-CG1 4.1Å; C69-I117 VanDerWaalsContact SG-CD1 3.56Å
70	C	93.9	Very high	91.1	Very high	8 Å²	8	57.9 Å²	57.9	5%	0.054	29%	0.285	C	S	.	.	H	α-helix	trans	-57.4	-32.9	174.4	164.5	0	0	0	0	114.4	Y28 C31 I33 S66 R67 S68 T72 I117	Y28-C70 PolarHBondContact O-SG 3.03Å; C31-C70 HydrophobicContact CB-CB 3.72Å; C31-C70 WeakPolarHBondContact CB-SG 3.27Å; C31-C70 WeakPolarHBondContact SG-CA 3.46Å; C31-C70 WeakPolarHBondContact SG-CB 3.18Å; C31-C70 PolarHBondContact SG-O 2.95Å; C31-C70 CovalentContact SG-SG 2.03Å; C31-C70 PolarHBondContact SG-SG 3.4Å; I33-C70 HydrophobicContact CD1-CB 4.15Å; S66-C70 PolarHBondContact O-N 3.3Å; R67-C70 PolarHBondContact O-N 2.9Å; S68-C70 PolarHBondContact O-N 2.95Å; C70-T72 VanDerWaalsContact C-N 3.27Å; C70-T72 PolarHBondContact O-N 3.42Å; C70-I117 HydrophobicContact CB-CG2 4.04Å
71	L	92.9	Very high	91.4	Very high	94 Å²	94	50.6 Å²	50.6	49%	0.492	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.4	177	-70.9	172.6	0	0	0	113.9	Y28 K29 R67 S68 C69	Y28-L71 HydrophobicContact CE1-CD1 4.16Å; Y28-L71 HydrophobicContact CE1-CD2 4.34Å; Y28-L71 HydrophobicContact CE1-CG 4.12Å; K29-L71 HydrophobicContact CD-CD2 3.72Å; R67-L71 WeakPolarHBondContact O-CG 3.36Å; R67-L71 PolarHBondContact O-N 3.14Å; R67-L71 VanDerWaalsContact O-N 3.08Å; S68-L71 PolarHBondContact O-N 3Å; S68-L71 VanDerWaalsContact O-N 3.08Å; C69-L71 VanDerWaalsContact C-N 3.26Å; C69-L71 PolarHBondContact O-N 2.7Å
72	T	90.1	Very high	91.5	Very high	45 Å²	45	48.2 Å²	48.2	28%	0.276	24%	0.236	S	C	.	.	S	Bend	trans	-68.2	135.2	177.9	-57.9	0	0	0	0	110.3	S68 C69 C70 F75 S76 C77	S68-T72 PolarHBondContact O-N 3.2Å; S68-T72 PolarHBondContact O-OG1 3.45Å; C69-T72 WeakPolarHBondContact O-CB 3.44Å; C69-T72 PolarHBondContact O-N 2.8Å; C69-T72 PolarHBondContact O-OG1 3.32Å; C69-T72 VanDerWaalsContact O-OG1 3.11Å; C70-T72 VanDerWaalsContact C-N 3.27Å; C70-T72 PolarHBondContact O-N 3.42Å; T72-F75 PolarHBondContact O-N 3.46Å; T72-S76 VanDerWaalsContact CG2-OG 3.29Å; T72-S76 WeakPolarHBondContact CG2-OG 3.09Å; T72-C77 HydrophobicContact CG2-CB 4.25Å
73	R	79.4	Confident	91.5	Very high	215 Å²	215	48.8 Å²	48.8	81%	0.811	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-57.9	146.1	-174.4	-67.2	-174.1	178.9	-172.7	0.8	111.6	F75 S76	R73-F75 PolarHBondContact O-N 3.35Å; R73-S76 PolarHBondContact O-N 3.07Å; R73-S76 PolarHBondContact O-OG 3.46Å
74	N	74.7	Confident	91.4	Very high	161 Å²	161	50 Å²	50	86%	0.861	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	58	12.6	176.8	-56.3	-18.8	0	0	0	116	S76	N74-S76 PolarHBondContact O-N 3.08Å
75	F	72.8	Confident	90.8	Very high	68 Å²	68	50.6 Å²	50.6	30%	0.298	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	57.6	33.8	-173.2	-53	-94.5	0	0	0	112.9	N30 T72 R73 C77 K119	N30-F75 WeakPolarHBondContact O-CE1 3.17Å; T72-F75 PolarHBondContact O-N 3.46Å; R73-F75 PolarHBondContact O-N 3.35Å; F75-C77 VanDerWaalsContact C-N 3.31Å; F75-C77 PolarHBondContact O-N 3.44Å; F75-K119 HydrophobicContact CD1-CB 3.84Å; F75-K119 HydrophobicContact CD1-CG 4.27Å; F75-K119 HydrophobicContact CD2-CB 4.33Å; F75-K119 HydrophobicContact CD2-CD 3.87Å; F75-K119 HydrophobicContact CD2-CG 4.19Å; F75-K119 HydrophobicContact CE1-CB 3.84Å; F75-K119 HydrophobicContact CE1-CG 3.86Å; F75-K119 HydrophobicContact CE2-CB 4.35Å; F75-K119 HydrophobicContact CE2-CD 3.64Å; F75-K119 HydrophobicContact CE2-CG 3.8Å; F75-K119 HydrophobicContact CG-CB 4.1Å; F75-K119 HydrophobicContact CG-CD 4.45Å; F75-K119 HydrophobicContact CG-CG 4.43Å; F75-K119 HydrophobicContact CZ-CB 4.12Å; F75-K119 HydrophobicContact CZ-CD 4.02Å; F75-K119 HydrophobicContact CZ-CG 3.62Å
76	S	89.2	Confident	90	Very high	45 Å²	45	52.7 Å²	52.7	32%	0.315	26%	0.259	S	S	.	.			trans	-61.8	-41.2	174.1	58.3	0	0	0	0	111.1	T72 R73 N74 N78 H97	T72-S76 VanDerWaalsContact CG2-OG 3.29Å; T72-S76 WeakPolarHBondContact CG2-OG 3.09Å; R73-S76 PolarHBondContact O-N 3.07Å; R73-S76 PolarHBondContact O-OG 3.46Å; N74-S76 PolarHBondContact O-N 3.08Å; S76-N78 PolarHBondContact O-N 3.17Å; S76-H97 VanDerWaalsContact O-CB 3.24Å; S76-H97 WeakPolarHBondContact O-CB 2.97Å; S76-H97 VanDerWaalsContact O-CG 3.27Å; S76-H97 PolarHBondContact O-ND1 3.23Å
77	C	94.6	Very high	88.6	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.007	30%	0.3	C	S	.	.			trans	-73.7	113.1	169.9	-170.5	0	0	0	0	110.4	L54 C69 T72 F75 L79 H95	L54-C77 VanDerWaalsContact CD1-CA 3.4Å; L54-C77 HydrophobicContact CD1-CB 3.68Å; C69-C77 VanDerWaalsContact CA-SG 3.59Å; C69-C77 HydrophobicContact CB-CB 4Å; C69-C77 WeakPolarHBondContact CB-SG 3.45Å; C69-C77 VanDerWaalsContact SG-C 3.6Å; C69-C77 WeakPolarHBondContact SG-CB 3.38Å; C69-C77 CovalentContact SG-SG 2.03Å; C69-C77 PolarHBondContact SG-SG 3.04Å; T72-C77 HydrophobicContact CG2-CB 4.25Å; F75-C77 VanDerWaalsContact C-N 3.31Å; F75-C77 PolarHBondContact O-N 3.44Å; C77-L79 PolarHBondContact SG-O 2.92Å; C77-H95 VanDerWaalsContact SG-CB 3.6Å
78	N	94.4	Very high	86.6	Confident	41 Å²	41	62.3 Å²	62.3	22%	0.219	32%	0.318	C	S	.	.			trans	-109.4	-18.6	173	68.9	-9.8	0	0	0	113	S76 L96 H97 C98 I117	S76-N78 PolarHBondContact O-N 3.17Å; N78-L96 PolarHBondContact N-O 2.97Å; N78-L96 VanDerWaalsContact N-O 3.17Å; N78-L96 PolarHBondContact OD1-O 2.03Å; N78-H97 WeakPolarHBondContact OD1-CA 3.45Å; N78-C98 PolarHBondContact ND2-O 2.82Å; N78-C98 PolarHBondContact OD1-N 2.75Å; N78-I117 PolarHBondContact O-N 3.09Å
79	L	95.4	Very high	85.1	Confident	20 Å²	20	68.9 Å²	68.9	11%	0.105	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.6	178.4	-75.8	154.5	0	0	0	110.5	I41 C77 L96 C98 L114 Y115 N116	I41-L79 HydrophobicContact CD1-CB 4.3Å; I41-L79 HydrophobicContact CD1-CD1 4.14Å; C77-L79 PolarHBondContact SG-O 2.92Å; L79-L96 HydrophobicContact CB-CB 4.42Å; L79-L96 PolarHBondContact N-O 3.22Å; L79-L96 PolarHBondContact O-N 2.81Å; L79-C98 HydrophobicContact CD1-CB 3.89Å; L79-C98 WeakPolarHBondContact CD1-SG 3.47Å; L79-L114 HydrophobicContact CB-CD1 4.34Å; L79-L114 HydrophobicContact CD2-CD1 3.79Å; L79-L114 HydrophobicContact CD2-CD2 4.11Å; L79-L114 HydrophobicContact CD2-CG 4.07Å; L79-Y115 WeakPolarHBondContact CA-O 3.45Å; L79-N116 HydrophobicContact CD2-CB 3.98Å
80	A	96.3	Very high	83.9	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	131	176	0	0	0	0	0	110.9	C69 V94 Y115 I117	C69-A80 HydrophobicContact CB-CB 3.77Å; A80-V94 CarbonylContact C-O 3.48Å; A80-V94 VanDerWaalsContact CA-O 3.27Å; A80-V94 WeakPolarHBondContact CA-O 3.46Å; A80-Y115 PolarHBondContact N-O 3.44Å; A80-Y115 PolarHBondContact O-N 3.38Å; A80-I117 HydrophobicContact CB-CD1 3.99Å
81	I	95.7	Very high	83.6	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.5	178.8	-48.8	170.8	0	0	0	108	F40 I41 I43 C65 C93 V94 L96 L114	F40-I81 HydrophobicContact CD2-CD1 4.38Å; F40-I81 HydrophobicContact CD2-CG2 4.21Å; F40-I81 HydrophobicContact CE2-CD1 4.28Å; I41-I81 HydrophobicContact CB-CD1 3.85Å; I41-I81 HydrophobicContact CD1-CD1 4.44Å; I41-I81 HydrophobicContact CG1-CD1 4.12Å; I43-I81 HydrophobicContact CG1-CD1 4.48Å; C65-I81 PolarHBondContact SG-O 3.26Å; C65-I81 VanDerWaalsContact SG-O 3.39Å; I81-C93 WeakPolarHBondContact O-CA 3.36Å; I81-V94 HydrophobicContact CB-CB 4.35Å; I81-V94 PolarHBondContact N-O 2.85Å; I81-V94 PolarHBondContact O-N 2.86Å; I81-L96 HydrophobicContact CD1-CD1 3.7Å; I81-L96 HydrophobicContact CG1-CD1 4.24Å; I81-L114 HydrophobicContact CG1-CD1 3.87Å
82	F	95.3	Very high	83.6	Confident	11 Å²	11	73 Å²	73	5%	0.048	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.1	165.2	-171.6	-93.3	0	0	0	110.8	E59 T61 A62 C65 F84 N92 C93 V112 V113	E59-F82 HydrophobicContact CB-CE2 4.3Å; E59-F82 WeakPolarHBondContact O-CE2 3.03Å; T61-F82 VanDerWaalsContact C-CE2 3.49Å; A62-F82 VanDerWaalsContact CA-CG 3.4Å; A62-F82 HydrophobicContact CB-CB 3.74Å; A62-F82 HydrophobicContact CB-CD1 3.54Å; A62-F82 HydrophobicContact CB-CD2 4.29Å; A62-F82 HydrophobicContact CB-CE1 4.17Å; A62-F82 HydrophobicContact CB-CG 3.59Å; C65-F82 HydrophobicContact CB-CD2 3.98Å; F82-F84 HydrophobicContact CD1-CD1 4.04Å; F82-F84 AromaticContact CD1-CE1 3.91Å; F82-F84 HydrophobicContact CD1-CE1 3.91Å; F82-F84 HydrophobicContact CD1-CG 4.45Å; F82-F84 HydrophobicContact CD1-CZ 4.21Å; F82-F84 AromaticContact CE1-CD1 3.81Å; F82-F84 HydrophobicContact CE1-CD1 3.81Å; F82-F84 AromaticContact CE1-CE1 3.93Å; F82-F84 HydrophobicContact CE1-CE1 3.93Å; F82-F84 HydrophobicContact CE1-CG 4.46Å; F82-N92 CarbonylContact C-O 3.43Å; F82-N92 VanDerWaalsContact CA-O 3.28Å; F82-N92 WeakPolarHBondContact CA-O 3.37Å; F82-N92 HydrophobicContact CE2-CB 4.22Å; F82-N92 VanDerWaalsContact CE2-CG 3.48Å; F82-N92 WeakPolarHBondContact CE2-ND2 3.37Å; F82-N92 HydrophobicContact CZ-CB 4.47Å; F82-N92 WeakPolarHBondContact CZ-ND2 3.39Å; F82-C93 HydrophobicContact CD2-CB 4.36Å; F82-V112 CarbonylContact O-C 3.53Å; F82-V112 WeakPolarHBondContact O-CA 3.41Å; F82-V113 HydrophobicContact CB-CG1 3.87Å; F82-V113 PolarHBondContact N-O 3.08Å; F82-V113 PolarHBondContact O-N 3.31Å
83	H	93.8	Very high	83.8	Confident	20 Å²	20	70.9 Å²	70.9	9%	0.093	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.5	173.9	-66.1	-108.1	0	0	0	109.2	F40 T86 N92 V112	F40-H83 AromaticContact CD2-CE1 3.89Å; F40-H83 AromaticContact CE2-CE1 3.39Å; F40-H83 WeakPolarHBondContact CE2-CE1 3.03Å; F40-H83 AromaticContact CE2-NE2 3.59Å; H83-T86 HydrophobicContact CB-CG2 3.68Å; H83-N92 HydrophobicContact CB-CB 4.46Å; H83-N92 PolarHBondContact N-O 2.86Å; H83-V112 HydrophobicContact CB-CG1 4.49Å; H83-V112 WeakPolarHBondContact ND1-CG1 3.46Å
84	F	90.5	Very high	84.6	Confident	102 Å²	102	60.9 Å²	60.9	45%	0.447	32%	0.318	S	S	.	.	S	Bend	trans	-80.1	-40	175.4	-67.5	-75.3	0	0	0	111.4	A62 F82 N111 V113	A62-F84 HydrophobicContact CB-CE1 4.44Å; A62-F84 HydrophobicContact CB-CZ 4.32Å; F82-F84 HydrophobicContact CD1-CD1 4.04Å; F82-F84 AromaticContact CD1-CE1 3.91Å; F82-F84 HydrophobicContact CD1-CE1 3.91Å; F82-F84 HydrophobicContact CD1-CG 4.45Å; F82-F84 HydrophobicContact CD1-CZ 4.21Å; F82-F84 AromaticContact CE1-CD1 3.81Å; F82-F84 HydrophobicContact CE1-CD1 3.81Å; F82-F84 AromaticContact CE1-CE1 3.93Å; F82-F84 HydrophobicContact CE1-CE1 3.93Å; F82-F84 HydrophobicContact CE1-CG 4.46Å; F84-N111 PolarHBondContact N-O 3.33Å; F84-V113 HydrophobicContact CE2-CB 4.02Å; F84-V113 HydrophobicContact CE2-CG1 3.61Å; F84-V113 HydrophobicContact CZ-CB 4.36Å; F84-V113 HydrophobicContact CZ-CG1 3.63Å
85	D	82.8	Confident	85.6	Confident	96 Å²	96	53.4 Å²	53.4	51%	0.513	28%	0.278	S	S	.	.			trans	-111.8	111.5	176.1	-52	-48	0	0	0	110.6	N111	D85-N111 WeakPolarHBondContact OD2-CB 3.31Å; D85-N111 VanDerWaalsContact OD2-CG 3.26Å; D85-N111 PolarHBondContact OD2-ND2 3.32Å
86	T	77.9	Confident	86.7	Confident	44 Å²	44	50.1 Å²	50.1	27%	0.27	26%	0.264	S	S	.	.			trans	-113.2	109.3	173.3	51.8	0	0	0	0	111	H83 N92	H83-T86 HydrophobicContact CB-CG2 3.68Å; T86-N92 HydrophobicContact CG2-CB 3.51Å
87	T	65.4	Low	87	Confident	141 Å²	141	50.4 Å²	50.4	87%	0.865	26%	0.26	S	S	*	.			trans	-94	-11.2	173.9	51.3	0	0	0	0	113.6
88	Q	53.1	Low	87	Confident	160 Å²	160	50.8 Å²	50.8	75%	0.748	26%	0.262	S	S	*	.	S	Bend	trans	-114.2	133.8	173.7	-79	177.5	-40.5	0	0	110.7	N90	Q88-N90 PolarHBondContact O-N 3.22Å
89	E	63.2	Low	86.9	Confident	174 Å²	174	52.1 Å²	52.1	81%	0.813	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	6.4	165.4	-58.3	-169.1	159.7	0	0	118.5	V91	E89-V91 HydrophobicContact CB-CG2 4.1Å; E89-V91 PolarHBondContact O-N 3.38Å
90	N	70.8	Confident	86.6	Confident	118 Å²	118	54.7 Å²	54.7	63%	0.631	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	7.6	-177.7	-55.8	-53.3	0	0	0	115.5	P58 Q88 N92	P58-N90 WeakPolarHBondContact CB-O 3.18Å; Q88-N90 PolarHBondContact O-N 3.22Å; N90-N92 PolarHBondContact O-N 3.27Å; N90-N92 VanDerWaalsContact O-N 3.16Å
91	V	87.9	Confident	86	Confident	46 Å²	46	62.8 Å²	62.8	28%	0.279	33%	0.332	S	S	.	.			trans	-80.6	96.4	179.3	-74.8	0	0	0	0	110.9	S56 E89	S56-V91 WeakPolarHBondContact OG-CB 3.39Å; E89-V91 HydrophobicContact CB-CG2 4.1Å; E89-V91 PolarHBondContact O-N 3.38Å
92	N	93.1	Very high	85.7	Confident	25 Å²	25	70.2 Å²	70.2	13%	0.134	37%	0.367	C	S	.	.			trans	-101.5	-15	-175.5	69.8	4.4	0	0	0	114.6	E59 F82 H83 T86 N90	E59-N92 PolarHBondContact N-OD1 3.07Å; E59-N92 PolarHBondContact O-ND2 2.92Å; E59-N92 PolarHBondContact O-OD1 2.64Å; E59-N92 VanDerWaalsContact O-OD1 3.13Å; F82-N92 CarbonylContact C-O 3.43Å; F82-N92 VanDerWaalsContact CA-O 3.28Å; F82-N92 WeakPolarHBondContact CA-O 3.37Å; F82-N92 HydrophobicContact CE2-CB 4.22Å; F82-N92 VanDerWaalsContact CE2-CG 3.48Å; F82-N92 WeakPolarHBondContact CE2-ND2 3.37Å; F82-N92 HydrophobicContact CZ-CB 4.47Å; F82-N92 WeakPolarHBondContact CZ-ND2 3.39Å; H83-N92 HydrophobicContact CB-CB 4.46Å; H83-N92 PolarHBondContact N-O 2.86Å; T86-N92 HydrophobicContact CG2-CB 3.51Å; N90-N92 PolarHBondContact O-N 3.27Å; N90-N92 VanDerWaalsContact O-N 3.16Å
93	C	94.6	Very high	85.6	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.9	176.4	178.5	0	0	0	0	111.5	S56 Y57 E59 C65 I81 F82 H95	S56-C93 WeakPolarHBondContact CA-O 3.48Å; Y57-C93 HydrophobicContact CD1-CB 4.24Å; Y57-C93 HydrophobicContact CE1-CB 4Å; Y57-C93 WeakPolarHBondContact CE1-SG 3.24Å; Y57-C93 PolarHBondContact N-O 3.24Å; Y57-C93 WeakPolarHBondContact O-CB 3.23Å; Y57-C93 PolarHBondContact O-N 3.07Å; E59-C93 HydrophobicContact CB-CB 3.61Å; E59-C93 HydrophobicContact CG-CB 4.32Å; C65-C93 WeakPolarHBondContact CA-SG 3.4Å; C65-C93 HydrophobicContact CB-CB 3.78Å; C65-C93 WeakPolarHBondContact CB-SG 3.2Å; C65-C93 WeakPolarHBondContact SG-CB 3.49Å; C65-C93 CovalentContact SG-SG 2.03Å; C65-C93 PolarHBondContact SG-SG 3.16Å; I81-C93 WeakPolarHBondContact O-CA 3.36Å; F82-C93 HydrophobicContact CD2-CB 4.36Å; C93-H95 PolarHBondContact SG-NE2 3.44Å
94	V	94.9	Very high	85.6	Confident	6 Å²	6	69.6 Å²	69.6	4%	0.036	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.6	179.4	-177.2	0	0	0	0	109.8	I43 L53 A80 I81 L96	I43-V94 HydrophobicContact CD1-CG1 3.97Å; I43-V94 HydrophobicContact CD1-CG2 4.19Å; L53-V94 HydrophobicContact CD1-CG1 3.53Å; A80-V94 CarbonylContact C-O 3.48Å; A80-V94 VanDerWaalsContact CA-O 3.27Å; A80-V94 WeakPolarHBondContact CA-O 3.46Å; I81-V94 HydrophobicContact CB-CB 4.35Å; I81-V94 PolarHBondContact N-O 2.85Å; I81-V94 PolarHBondContact O-N 2.86Å; V94-L96 HydrophobicContact CG1-CD1 4.27Å; V94-L96 HydrophobicContact CG1-CG 4.2Å
95	H	96.2	Very high	85.8	Confident	3 Å²	3	67 Å²	67	1%	0.014	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.7	177.1	-70.9	179.8	0	0	0	110.4	L54 R55 Y57 C65 C69 C77 C93	L54-H95 HydrophobicContact CB-CB 4.24Å; L54-H95 WeakPolarHBondContact CB-O 3.42Å; L54-H95 PolarHBondContact N-O 2.03Å; R55-H95 HydrophobicContact CB-CB 4.05Å; R55-H95 PolarHBondContact N-O 3.11Å; R55-H95 PolarHBondContact O-N 3.23Å; Y57-H95 AromaticContact CE1-CE1 3.76Å; Y57-H95 AromaticContact CE1-NE2 3.84Å; C65-H95 PolarHBondContact O-NE2 2.86Å; C69-H95 PolarHBondContact N-CE1 3.36Å; C69-H95 VanDerWaalsContact N-CE1 3.25Å; C77-H95 VanDerWaalsContact SG-CB 3.6Å; C93-H95 PolarHBondContact SG-NE2 3.44Å
96	L	95.6	Very high	86.3	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148.2	-174	-72.5	153.3	0	0	0	111.3	I41 Q52 L53 N78 L79 I81 V94	I41-L96 HydrophobicContact CD1-CD1 4.17Å; Q52-L96 WeakPolarHBondContact O-CA 3.29Å; L53-L96 HydrophobicContact CB-CD2 4.46Å; L53-L96 HydrophobicContact CD1-CD2 4.4Å; N78-L96 PolarHBondContact N-O 2.97Å; N78-L96 VanDerWaalsContact N-O 3.17Å; N78-L96 PolarHBondContact OD1-O 2.03Å; L79-L96 HydrophobicContact CB-CB 4.42Å; L79-L96 PolarHBondContact N-O 3.22Å; L79-L96 PolarHBondContact O-N 2.81Å; I81-L96 HydrophobicContact CD1-CD1 3.7Å; I81-L96 HydrophobicContact CG1-CD1 4.24Å; V94-L96 HydrophobicContact CG1-CD1 4.27Å; V94-L96 HydrophobicContact CG1-CG 4.2Å
97	H	95.7	Very high	87	Confident	51 Å²	51	67.8 Å²	67.8	24%	0.236	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.6	157.7	-172.7	63.9	0	0	0	109.4	A51 Q52 L54 S76 N78	A51-H97 CarbonylContact C-O 3.56Å; A51-H97 WeakPolarHBondContact CA-O 3Å; Q52-H97 HydrophobicContact CB-CB 4.2Å; Q52-H97 PolarHBondContact N-O 2.79Å; Q52-H97 PolarHBondContact O-N 2.88Å; L54-H97 HydrophobicContact CD1-CB 4.14Å; L54-H97 HydrophobicContact CD2-CB 4.15Å; L54-H97 HydrophobicContact CG-CB 4.29Å; S76-H97 VanDerWaalsContact O-CB 3.24Å; S76-H97 WeakPolarHBondContact O-CB 2.97Å; S76-H97 VanDerWaalsContact O-CG 3.27Å; S76-H97 PolarHBondContact O-ND1 3.23Å; N78-H97 WeakPolarHBondContact OD1-CA 3.45Å
98	C	94	Very high	88.2	Confident	8 Å²	8	68.2 Å²	68.2	5%	0.054	35%	0.354	C	S	.	.			trans	-106.1	105.4	170.8	-54.2	0	0	0	0	108.2	N78 L79 T100 C104	N78-C98 PolarHBondContact ND2-O 2.82Å; N78-C98 PolarHBondContact OD1-N 2.75Å; L79-C98 HydrophobicContact CD1-CB 3.89Å; L79-C98 WeakPolarHBondContact CD1-SG 3.47Å; C98-T100 VanDerWaalsContact C-N 3.31Å; C98-T100 PolarHBondContact O-N 3.15Å; C98-C104 HydrophobicContact CB-CB 3.78Å; C98-C104 WeakPolarHBondContact CB-SG 3.31Å; C98-C104 WeakPolarHBondContact SG-CB 3.3Å; C98-C104 CovalentContact SG-SG 2.01Å; C98-C104 PolarHBondContact SG-SG 3.43Å
99	P	92.1	Very high	90	Very high	70 Å²	70	66.5 Å²	66.5	46%	0.455	34%	0.341	S	S	.	.	S	Bend	trans	-66.2	-32.8	-176.9	-21.6	32.3	0	0	0	113.2	G50	G50-P99 WeakPolarHBondContact O-CD 3.38Å; G50-P99 WeakPolarHBondContact O-CG 3.44Å
100	T	89.2	Confident	91.1	Very high	73 Å²	73	65.7 Å²	65.7	45%	0.448	34%	0.337	S	S	.	.	S	Bend	trans	-126.1	168	173.6	75.1	0	0	0	0	110	C98 E102 S103	C98-T100 VanDerWaalsContact C-N 3.31Å; C98-T100 PolarHBondContact O-N 3.15Å; T100-E102 VanDerWaalsContact C-N 3.26Å; T100-E102 PolarHBondContact O-N 3.2Å; T100-E102 PolarHBondContact OG1-N 3.33Å; T100-S103 PolarHBondContact OG1-N 3.19Å; T100-S103 PolarHBondContact OG1-OG 2.94Å
101	L	85.3	Confident	92	Very high	170 Å²	170	63.7 Å²	63.7	89%	0.89	33%	0.327	S	S	*	.	S	Bend	trans	-69	-25.3	171.9	-64.1	174.8	0	0	0	112.5
102	E	88.6	Confident	92.2	Very high	157 Å²	157	61.7 Å²	61.7	73%	0.734	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-19.9	-179.5	-62.4	176.1	-178.3	0	0	112.7	R49 T100 C104	R49-E102 WeakPolarHBondContact CD-O 3.07Å; T100-E102 VanDerWaalsContact C-N 3.26Å; T100-E102 PolarHBondContact O-N 3.2Å; T100-E102 PolarHBondContact OG1-N 3.33Å; E102-C104 PolarHBondContact O-N 3.46Å
103	S	92.8	Very high	92.3	Very high	9 Å²	9	60.5 Å²	60.5	6%	0.063	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.2	175.4	-66.6	0	0	0	0	113.6	S46 R49 T100	S46-S103 CarbonylContact C-O 3.34Å; S46-S103 WeakPolarHBondContact CA-O 3.34Å; S46-S103 VanDerWaalsContact CB-O 3.27Å; S46-S103 WeakPolarHBondContact CB-O 3.24Å; R49-S103 WeakPolarHBondContact O-CA 3.27Å; R49-S103 VanDerWaalsContact O-CB 3.26Å; R49-S103 WeakPolarHBondContact O-CB 3.28Å; R49-S103 PolarHBondContact O-OG 3.29Å; T100-S103 PolarHBondContact OG1-N 3.19Å; T100-S103 PolarHBondContact OG1-OG 2.94Å
104	C	94	Very high	92.3	Very high	8 Å²	8	60.8 Å²	60.8	5%	0.054	31%	0.309	C	S	.	.	S	Bend	trans	-125.2	108.1	-175.1	-77.9	0	0	0	0	112.6	I41 S46 A51 C98 E102 L106	I41-C104 HydrophobicContact CD1-CB 4.43Å; I41-C104 HydrophobicContact CG2-CB 3.95Å; S46-C104 WeakPolarHBondContact OG-CA 3.3Å; A51-C104 WeakPolarHBondContact CB-SG 3.48Å; C98-C104 HydrophobicContact CB-CB 3.78Å; C98-C104 WeakPolarHBondContact CB-SG 3.31Å; C98-C104 WeakPolarHBondContact SG-CB 3.3Å; C98-C104 CovalentContact SG-SG 2.01Å; C98-C104 PolarHBondContact SG-SG 3.43Å; E102-C104 PolarHBondContact O-N 3.46Å; C104-L106 PolarHBondContact O-N 3.05Å
105	I	95.2	Very high	92.4	Very high	48 Å²	48	60.9 Å²	60.9	25%	0.246	31%	0.309	C	S	.	.			trans	-83.2	107.2	-174.4	-60.4	-47.8	0	0	0	110.1	I41 D42 E45 S46	I41-I105 WeakPolarHBondContact CA-O 3.3Å; D42-I105 PolarHBondContact N-O 3.46Å; E45-I105 HydrophobicContact CG-CB 4.06Å; E45-I105 HydrophobicContact CG-CG1 3.61Å; E45-I105 HydrophobicContact CG-CG2 4.38Å; S46-I105 PolarHBondContact OG-N 3.3Å
106	L	93.2	Very high	92.3	Very high	106 Å²	106	63.4 Å²	63.4	56%	0.555	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	136.3	178	-53.4	-174.5	0	0	0	110.5	I39 F40 I41 C104 L114	I39-L106 HydrophobicContact CG2-CB 4.29Å; I39-L106 HydrophobicContact CG2-CD2 4.23Å; F40-L106 WeakPolarHBondContact O-CA 3.49Å; I41-L106 HydrophobicContact CD1-CD2 4.34Å; I41-L106 HydrophobicContact CG1-CD2 3.9Å; C104-L106 PolarHBondContact O-N 3.05Å; L106-L114 HydrophobicContact CD2-CD2 4.23Å
107	S	91.9	Very high	92.2	Very high	51 Å²	51	63.7 Å²	63.7	36%	0.357	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	167	175.2	-75.4	0	0	0	0	110.1	F40	F40-S107 PolarHBondContact N-O 2.99Å; F40-S107 PolarHBondContact O-N 3.4Å
108	H	91.8	Very high	92.1	Very high	149 Å²	149	64.6 Å²	64.6	69%	0.69	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	132.4	175.7	-166.8	-97.2	0	0	0	111.4	G38	G38-H108 CarbonylContact O-C 3.45Å; G38-H108 WeakPolarHBondContact O-CA 3.48Å; G38-H108 PolarHBondContact O-CD2 3.48Å
109	R	90.1	Very high	91.8	Very high	124 Å²	124	71.7 Å²	71.7	47%	0.468	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	128.2	177.2	-177.9	175.1	-177	175	1	109.3	G38 F40 N111 V112	G38-R109 CarbonylContact C-O 3.44Å; G38-R109 WeakPolarHBondContact CA-O 3.42Å; G38-R109 PolarHBondContact O-N 3.39Å; G38-R109 VanDerWaalsContact O-O 3.11Å; F40-R109 HydrophobicContact CB-CB 4.16Å; R109-N111 PolarHBondContact O-N 2.86Å; R109-V112 HydrophobicContact CB-CG2 4.2Å; R109-V112 HydrophobicContact CG-CG1 4.37Å; R109-V112 VanDerWaalsContact O-CG2 3.3Å; R109-V112 WeakPolarHBondContact O-CG2 3.42Å
110	E	85.4	Confident	91.4	Very high	157 Å²	157	68.8 Å²	68.8	73%	0.734	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	-46	-167.4	-60.7	178.2	162.3	0	0	113.1	V112	E110-V112 PolarHBondContact O-N 2.94Å; E110-V112 VanDerWaalsContact O-N 3.08Å
111	N	89.9	Confident	90.9	Very high	77 Å²	77	69.7 Å²	69.7	41%	0.412	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	36.7	-169.3	-56.1	-11.3	0	0	0	112.9	F84 D85 R109	F84-N111 PolarHBondContact N-O 3.33Å; D85-N111 WeakPolarHBondContact OD2-CB 3.31Å; D85-N111 VanDerWaalsContact OD2-CG 3.26Å; D85-N111 PolarHBondContact OD2-ND2 3.32Å; R109-N111 PolarHBondContact O-N 2.86Å
112	V	93.3	Very high	90.3	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	163.6	171.8	-54.7	0	0	0	0	112.8	G38 I39 F40 F82 H83 R109 E110	G38-V112 PolarHBondContact N-O 2.75Å; G38-V112 VanDerWaalsContact N-O 3.15Å; I39-V112 WeakPolarHBondContact O-CG2 3.37Å; F40-V112 HydrophobicContact CB-CG2 3.86Å; F40-V112 HydrophobicContact CD2-CG1 4.36Å; F40-V112 HydrophobicContact CD2-CG2 4.48Å; F82-V112 CarbonylContact O-C 3.53Å; F82-V112 WeakPolarHBondContact O-CA 3.41Å; H83-V112 HydrophobicContact CB-CG1 4.49Å; H83-V112 WeakPolarHBondContact ND1-CG1 3.46Å; R109-V112 HydrophobicContact CB-CG2 4.2Å; R109-V112 HydrophobicContact CG-CG1 4.37Å; R109-V112 VanDerWaalsContact O-CG2 3.3Å; R109-V112 WeakPolarHBondContact O-CG2 3.42Å; E110-V112 PolarHBondContact O-N 2.94Å; E110-V112 VanDerWaalsContact O-N 3.08Å
113	V	94.6	Very high	89.5	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	127.4	167.2	55.4	0	0	0	0	110.6	R35 A62 F82 F84 Y115	R35-V113 HydrophobicContact CG-CG2 3.52Å; A62-V113 HydrophobicContact CB-CG1 3.84Å; F82-V113 HydrophobicContact CB-CG1 3.87Å; F82-V113 PolarHBondContact N-O 3.08Å; F82-V113 PolarHBondContact O-N 3.31Å; F84-V113 HydrophobicContact CE2-CB 4.02Å; F84-V113 HydrophobicContact CE2-CG1 3.61Å; F84-V113 HydrophobicContact CZ-CB 4.36Å; F84-V113 HydrophobicContact CZ-CG1 3.63Å; V113-Y115 HydrophobicContact CB-CE2 4.37Å; V113-Y115 HydrophobicContact CG1-CE2 3.7Å; V113-Y115 HydrophobicContact CG2-CD2 4.28Å; V113-Y115 HydrophobicContact CG2-CE1 4.42Å; V113-Y115 HydrophobicContact CG2-CE2 3.78Å
114	L	95.4	Very high	88.2	Confident	6 Å²	6	61.1 Å²	61.1	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	140.8	170	179.6	64.3	0	0	0	110.4	F36 I39 I41 L79 I81 L106	F36-L114 HydrophobicContact CB-CB 4.34Å; F36-L114 PolarHBondContact N-O 3.39Å; F36-L114 PolarHBondContact O-N 2.97Å; I39-L114 HydrophobicContact CB-CB 4.24Å; I39-L114 HydrophobicContact CB-CD2 4.31Å; I39-L114 HydrophobicContact CG2-CB 4.48Å; I39-L114 HydrophobicContact CG2-CD2 3.73Å; I39-L114 WeakPolarHBondContact O-CB 3.05Å; I41-L114 HydrophobicContact CD1-CD1 3.66Å; I41-L114 HydrophobicContact CD1-CD2 4.17Å; I41-L114 HydrophobicContact CG1-CD1 4.05Å; I41-L114 HydrophobicContact CG1-CD2 4.16Å; L79-L114 HydrophobicContact CB-CD1 4.34Å; L79-L114 HydrophobicContact CD2-CD1 3.79Å; L79-L114 HydrophobicContact CD2-CD2 4.11Å; L79-L114 HydrophobicContact CD2-CG 4.07Å; I81-L114 HydrophobicContact CG1-CD1 3.87Å; L106-L114 HydrophobicContact CD2-CD2 4.23Å
115	Y	95.7	Very high	86.7	Confident	9 Å²	9	62.9 Å²	62.9	4%	0.035	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.5	169.3	-64.4	-88.6	0	0	0	109.8	I33 R34 R35 A62 S66 L79 A80 V113 I117	I33-Y115 HydrophobicContact CG2-CD1 3.72Å; I33-Y115 HydrophobicContact CG2-CE1 4.49Å; I33-Y115 HydrophobicContact CG2-CG 4.35Å; R34-Y115 WeakPolarHBondContact O-CA 3.42Å; R35-Y115 HydrophobicContact CB-CD1 3.97Å; R35-Y115 HydrophobicContact CB-CE1 3.75Å; R35-Y115 HydrophobicContact CG-CD1 4.18Å; R35-Y115 HydrophobicContact CG-CE1 3.64Å; A62-Y115 HydrophobicContact CB-CE2 3.94Å; A62-Y115 WeakPolarHBondContact CB-OH 3.28Å; A62-Y115 WeakPolarHBondContact O-CE2 3.41Å; S66-Y115 VanDerWaalsContact CB-CG 3.43Å; L79-Y115 WeakPolarHBondContact CA-O 3.45Å; A80-Y115 PolarHBondContact N-O 3.44Å; A80-Y115 PolarHBondContact O-N 3.38Å; V113-Y115 HydrophobicContact CB-CE2 4.37Å; V113-Y115 HydrophobicContact CG1-CE2 3.7Å; V113-Y115 HydrophobicContact CG2-CD2 4.28Å; V113-Y115 HydrophobicContact CG2-CE1 4.42Å; V113-Y115 HydrophobicContact CG2-CE2 3.78Å; Y115-I117 VanDerWaalsContact O-CD1 3.28Å; Y115-I117 WeakPolarHBondContact O-CD1 3.37Å
116	N	94.6	Very high	85.3	Confident	56 Å²	56	65.2 Å²	65.2	30%	0.299	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.5	166.6	-174.7	-50.5	0	0	0	108.4	I33 R34 F36 L79 T118	I33-N116 WeakPolarHBondContact CA-O 3.34Å; R34-N116 PolarHBondContact N-O 3Å; R34-N116 PolarHBondContact O-N 2.86Å; F36-N116 HydrophobicContact CE2-CB 3.86Å; L79-N116 HydrophobicContact CD2-CB 3.98Å; N116-T118 VanDerWaalsContact OD1-CG2 3.23Å; N116-T118 WeakPolarHBondContact OD1-CG2 3.45Å
117	I	94.2	Very high	84	Confident	6 Å²	6	65.4 Å²	65.4	3%	0.031	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	111.8	179.7	-66.8	73.1	0	0	0	107.2	C31 W32 I33 C69 C70 N78 A80 Y115	C31-I117 HydrophobicContact CB-CG2 4.05Å; W32-I117 WeakPolarHBondContact O-CA 3.33Å; I33-I117 HydrophobicContact CG1-CG1 4.34Å; C69-I117 HydrophobicContact CB-CD1 4.1Å; C69-I117 HydrophobicContact CB-CG1 4.1Å; C69-I117 VanDerWaalsContact SG-CD1 3.56Å; C70-I117 HydrophobicContact CB-CG2 4.04Å; N78-I117 PolarHBondContact O-N 3.09Å; A80-I117 HydrophobicContact CB-CD1 3.99Å; Y115-I117 VanDerWaalsContact O-CD1 3.28Å; Y115-I117 WeakPolarHBondContact O-CD1 3.37Å
118	T	92.1	Very high	82.5	Confident	69 Å²	69	70.4 Å²	70.4	42%	0.423	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	151.1	170.4	68.8	0	0	0	0	111	C31 W32 N116 G120	C31-T118 CarbonylContact C-O 3.58Å; C31-T118 VanDerWaalsContact CA-O 3.24Å; C31-T118 WeakPolarHBondContact CA-O 3.34Å; W32-T118 PolarHBondContact N-O 3.1Å; W32-T118 PolarHBondContact O-N 3.41Å; N116-T118 VanDerWaalsContact OD1-CG2 3.23Å; N116-T118 WeakPolarHBondContact OD1-CG2 3.45Å; T118-G120 PolarHBondContact O-N 3.37Å
119	K	89.3	Confident	80.7	Confident	158 Å²	158	65.3 Å²	65.3	69%	0.687	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	121	171.6	179.7	172.5	-175.4	-179	0	109.6	F75	F75-K119 HydrophobicContact CD1-CB 3.84Å; F75-K119 HydrophobicContact CD1-CG 4.27Å; F75-K119 HydrophobicContact CD2-CB 4.33Å; F75-K119 HydrophobicContact CD2-CD 3.87Å; F75-K119 HydrophobicContact CD2-CG 4.19Å; F75-K119 HydrophobicContact CE1-CB 3.84Å; F75-K119 HydrophobicContact CE1-CG 3.86Å; F75-K119 HydrophobicContact CE2-CB 4.35Å; F75-K119 HydrophobicContact CE2-CD 3.64Å; F75-K119 HydrophobicContact CE2-CG 3.8Å; F75-K119 HydrophobicContact CG-CB 4.1Å; F75-K119 HydrophobicContact CG-CD 4.45Å; F75-K119 HydrophobicContact CG-CG 4.43Å; F75-K119 HydrophobicContact CZ-CB 4.12Å; F75-K119 HydrophobicContact CZ-CD 4.02Å; F75-K119 HydrophobicContact CZ-CG 3.62Å
120	G	83.3	Confident	78.9	Confident	8 Å²	8	66.9 Å²	66.9	8%	0.082	35%	0.348	C	S	.	.			trans	-110.3	137.8	-175.8	0	0	0	0	0	112.8	N30 T118	N30-G120 CarbonylContact C-O 3.55Å; N30-G120 WeakPolarHBondContact CA-O 3.19Å; N30-G120 PolarHBondContact O-N 3.41Å; N30-G120 VanDerWaalsContact O-O 3.11Å; T118-G120 PolarHBondContact O-N 3.37Å
121	M	78.3	Confident	77.3	Confident	92 Å²	92	67 Å²	67	45%	0.453	35%	0.348	S	S	.	.			trans	-84.2	150.6	155.8	-169.9	164.4	70.4	0	0	109	L125 L126	M121-L125 HydrophobicContact CE-CB 4.27Å; M121-L125 HydrophobicContact CG-CB 4.15Å; M121-L125 HydrophobicContact CG-CD1 3.84Å; M121-L125 HydrophobicContact SD-CB 4.31Å; M121-L125 HydrophobicContact SD-CD1 4.28Å; M121-L126 HydrophobicContact CE-CD2 3.51Å; M121-L126 HydrophobicContact CE-CG 3.89Å
122	D	72.7	Confident	75.2	Confident	37 Å²	37	70.8 Å²	70.8	20%	0.198	36%	0.361	C	S	.	.			trans	-55.6	129.8	-179.1	-167.9	-37.2	0	0	0	111.5	Y27 D124 L125 L126	Y27-D122 WeakPolarHBondContact OH-CA 3.43Å; Y27-D122 PolarHBondContact OH-N 2.83Å; D122-D124 PolarHBondContact O-N 3.02Å; D122-D124 PolarHBondContact OD1-N 3.48Å; D122-L125 HydrophobicContact CB-CB 4.42Å; D122-L125 HydrophobicContact CB-CD1 3.76Å; D122-L125 HydrophobicContact CB-CG 3.91Å; D122-L125 WeakPolarHBondContact O-CB 3.26Å; D122-L125 PolarHBondContact O-N 3.06Å; D122-L126 PolarHBondContact O-N 3.44Å
123	P	70.9	Confident	73	Confident	39 Å²	39	76.1 Å²	76.1	25%	0.253	39%	0.394	S	S	.	.	H	α-helix	trans	-50.4	-37.2	175.2	15.7	-29.4	0	0	0	113.7	Y27 W32 L125 L126 V127	Y27-P123 HydrophobicContact CD1-CG 4.3Å; Y27-P123 HydrophobicContact CG-CG 4.35Å; W32-P123 HydrophobicContact CH2-CB 3.96Å; W32-P123 HydrophobicContact CH2-CG 4.21Å; W32-P123 HydrophobicContact CZ2-CB 4.41Å; P123-L125 VanDerWaalsContact C-N 3.28Å; P123-L125 PolarHBondContact O-N 3.36Å; P123-L126 PolarHBondContact O-N 3.49Å; P123-V127 WeakPolarHBondContact O-CB 3.37Å; P123-V127 WeakPolarHBondContact O-CG2 3.26Å; P123-V127 PolarHBondContact O-N 2.85Å
124	D	66.3	Low	70.5	Confident	80 Å²	80	80.4 Å²	80.4	43%	0.428	42%	0.424	S	S	.	.	H	α-helix	trans	-67	-32.6	-178.8	-74.9	0.1	0	0	0	111.1	D122 F128	D122-D124 PolarHBondContact O-N 3.02Å; D122-D124 PolarHBondContact OD1-N 3.48Å; D124-F128 HydrophobicContact CB-CD2 4.11Å; D124-F128 HydrophobicContact CB-CE2 4.27Å; D124-F128 WeakPolarHBondContact O-CB 3.36Å; D124-F128 WeakPolarHBondContact O-CD2 3.49Å; D124-F128 PolarHBondContact O-N 3.4Å
125	L	63.7	Low	67.9	Low	45 Å²	45	87.2 Å²	87.2	24%	0.236	46%	0.46	C	S	.	.	H	α-helix	trans	-71.7	-34.2	176.1	-61.7	172.3	0	0	0	112.4	M121 D122 P123 G129 K130 F132	M121-L125 HydrophobicContact CE-CB 4.27Å; M121-L125 HydrophobicContact CG-CB 4.15Å; M121-L125 HydrophobicContact CG-CD1 3.84Å; M121-L125 HydrophobicContact SD-CB 4.31Å; M121-L125 HydrophobicContact SD-CD1 4.28Å; D122-L125 HydrophobicContact CB-CB 4.42Å; D122-L125 HydrophobicContact CB-CD1 3.76Å; D122-L125 HydrophobicContact CB-CG 3.91Å; D122-L125 WeakPolarHBondContact O-CB 3.26Å; D122-L125 PolarHBondContact O-N 3.06Å; P123-L125 VanDerWaalsContact C-N 3.28Å; P123-L125 PolarHBondContact O-N 3.36Å; L125-G129 PolarHBondContact O-N 2.89Å; L125-K130 PolarHBondContact O-N 3.04Å; L125-F132 HydrophobicContact CD1-CD2 4.03Å; L125-F132 HydrophobicContact CD1-CE2 3.61Å; L125-F132 HydrophobicContact CD2-CD2 4.24Å; L125-F132 HydrophobicContact CD2-CE2 3.54Å; L125-F132 HydrophobicContact CD2-CZ 4.34Å; L125-F132 HydrophobicContact CG-CE2 4.22Å
126	L	63.9	Low	65.3	Low	98 Å²	98	91.7 Å²	91.7	51%	0.513	49%	0.488	S	S	.	.	H	α-helix	trans	-70.3	-43.8	174.8	-69.2	165.2	0	0	0	111.2	W32 M121 D122 P123	W32-L126 HydrophobicContact CZ2-CD1 4.1Å; M121-L126 HydrophobicContact CE-CD2 3.51Å; M121-L126 HydrophobicContact CE-CG 3.89Å; D122-L126 PolarHBondContact O-N 3.44Å; P123-L126 PolarHBondContact O-N 3.49Å
127	V	66.1	Low	63.1	Low	110 Å²	110	101 Å²	101	67%	0.667	52%	0.519	S	S	*	.	H	α-helix	trans	-74.5	-39.5	-178.3	172.3	0	0	0	0	112.4	P123 G129	P123-V127 WeakPolarHBondContact O-CB 3.37Å; P123-V127 WeakPolarHBondContact O-CG2 3.26Å; P123-V127 PolarHBondContact O-N 2.85Å; V127-G129 VanDerWaalsContact C-N 3.32Å
128	F	61	Low	60.6	Low	155 Å²	155	106.6 Å²	106.6	68%	0.68	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	11.4	179.2	-60	-60.7	0	0	0	114	D124 K130	D124-F128 HydrophobicContact CB-CD2 4.11Å; D124-F128 HydrophobicContact CB-CE2 4.27Å; D124-F128 WeakPolarHBondContact O-CB 3.36Å; D124-F128 WeakPolarHBondContact O-CD2 3.49Å; D124-F128 PolarHBondContact O-N 3.4Å; F128-K130 PolarHBondContact O-N 3.39Å
129	G	54.7	Low	57.8	Low	43 Å²	43	109.1 Å²	109.1	44%	0.443	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	60.5	12.6	168.1	0	0	0	0	0	116	L125 V127 H131	L125-G129 PolarHBondContact O-N 2.89Å; V127-G129 VanDerWaalsContact C-N 3.32Å; G129-H131 VanDerWaalsContact C-N 3.31Å; G129-H131 PolarHBondContact O-N 2.96Å; G129-H131 PolarHBondContact O-ND1 2.93Å
130	K	50.8	Low	55.3	Low	157 Å²	157	107.5 Å²	107.5	68%	0.683	57%	0.569	S	S	*	*			trans	-86.8	74.9	-169.6	-163.4	168.2	-173.8	172.6	0	111.2	L125 F128 F132	L125-K130 PolarHBondContact O-N 3.04Å; F128-K130 PolarHBondContact O-N 3.39Å; K130-F132 PolarHBondContact O-N 3.23Å; K130-F132 VanDerWaalsContact O-N 3.14Å
131	H	52	Low	53.2	Low	160 Å²	160	113.3 Å²	113.3	74%	0.741	59%	0.594	S	S	*	*			trans	-44.4	116.5	169.6	-65.1	76	0	0	0	110.5	G129 T133	G129-H131 VanDerWaalsContact C-N 3.31Å; G129-H131 PolarHBondContact O-N 2.96Å; G129-H131 PolarHBondContact O-ND1 2.93Å; H131-T133 PolarHBondContact O-N 3Å
132	F	46.4	Very low	51.2	Low	155 Å²	155	116.7 Å²	116.7	68%	0.68	61%	0.608	S	S	*	*			trans	-72.6	96	170.5	-88.1	-74.2	0	0	0	109.3	L125 K130 S134	L125-F132 HydrophobicContact CD1-CD2 4.03Å; L125-F132 HydrophobicContact CD1-CE2 3.61Å; L125-F132 HydrophobicContact CD2-CD2 4.24Å; L125-F132 HydrophobicContact CD2-CE2 3.54Å; L125-F132 HydrophobicContact CD2-CZ 4.34Å; L125-F132 HydrophobicContact CG-CE2 4.22Å; K130-F132 PolarHBondContact O-N 3.23Å; K130-F132 VanDerWaalsContact O-N 3.14Å; F132-S134 PolarHBondContact O-N 2.91Å
133	T	46.6	Very low	49.3	Very low	116 Å²	116	126 Å²	126	71%	0.712	64%	0.642	S	S	*	*			trans	-67.5	69.5	158.7	45.6	0	0	0	0	109.1	H131 N135	H131-T133 PolarHBondContact O-N 3Å; T133-N135 VanDerWaalsContact C-N 3.31Å; T133-N135 PolarHBondContact O-N 2.88Å; T133-N135 PolarHBondContact O-ND2 3.03Å
134	S	43.8	Very low	47.6	Very low	89 Å²	89	128.6 Å²	128.6	62%	0.622	66%	0.661	S	S	*	*			trans	-67.2	90.7	177.3	-170.8	0	0	0	0	108.7	F132 V136	F132-S134 PolarHBondContact O-N 2.91Å; S134-V136 PolarHBondContact O-N 2.89Å
135	N	39.8	Very low	46.2	Very low	149 Å²	149	136.6 Å²	136.6	80%	0.797	69%	0.686	S	S	*	*			trans	-75	46.7	179.6	-82.2	-92.1	0	0	0	111.6	T133	T133-N135 VanDerWaalsContact C-N 3.31Å; T133-N135 PolarHBondContact O-N 2.88Å; T133-N135 PolarHBondContact O-ND2 3.03Å
136	V	40.5	Very low	44.9	Very low	104 Å²	104	139.4 Å²	139.4	63%	0.63	71%	0.705	S	S	*	*			trans	-97.8	103.4	169	-171.7	0	0	0	0	107	S134 V138	S134-V136 PolarHBondContact O-N 2.89Å; V136-V138 VanDerWaalsContact C-N 3.28Å; V136-V138 HydrophobicContact CG1-CG2 4.04Å; V136-V138 PolarHBondContact O-N 3.36Å
137	R	48.9	Very low	43.6	Very low	252 Å²	252	142.1 Å²	142.1	95%	0.951	72%	0.72	S	S	*	*			trans	-68.8	81.4	176.1	-66.4	176.4	177.7	166.4	-3.3	110.4
138	V	41.2	Very low	42	Very low	123 Å²	123	142 Å²	142	75%	0.745	73%	0.73	S	S	*	*			trans	-98	103.2	161.5	-177.7	0	0	0	0	107.9	V136 P140	V136-V138 VanDerWaalsContact C-N 3.28Å; V136-V138 HydrophobicContact CG1-CG2 4.04Å; V136-V138 PolarHBondContact O-N 3.36Å; V138-P140 VanDerWaalsContact O-CD 3.3Å; V138-P140 WeakPolarHBondContact O-CD 3.36Å
139	L	34.9	Very low	41.1	Very low	122 Å²	122	140.2 Å²	140.2	64%	0.639	74%	0.737	S	S	*	*			trans	-65.9	114.3	-171.3	-177.2	63.4	0	0	0	112.6	H141	L139-H141 WeakPolarHBondContact CD2-CD2 3.49Å; L139-H141 HydrophobicContact CG-CB 4.22Å; L139-H141 PolarHBondContact O-N 3.31Å; L139-H141 VanDerWaalsContact O-N 3.17Å
140	P	36.7	Very low	40.1	Very low	124 Å²	124	145.8 Å²	145.8	81%	0.805	76%	0.756	S	S	*	*			trans	-83.3	84.5	166.9	0.3	19.9	0	0	0	108.3	V138	V138-P140 VanDerWaalsContact O-CD 3.3Å; V138-P140 WeakPolarHBondContact O-CD 3.36Å
141	H	37.9	Very low	40.1	Very low	130 Å²	130	143.4 Å²	143.4	60%	0.602	76%	0.757	S	S	*	*			trans	-90.9	127.7	171.6	-99.9	-13.1	0	0	0	110.6	L139	L139-H141 WeakPolarHBondContact CD2-CD2 3.49Å; L139-H141 HydrophobicContact CG-CB 4.22Å; L139-H141 PolarHBondContact O-N 3.31Å; L139-H141 VanDerWaalsContact O-N 3.17Å
142	H	36.5	Very low	39.5	Very low	162 Å²	162	143.8 Å²	143.8	75%	0.75	76%	0.763	S	S	*	*			trans	66.4	137.3	-176.5	-46.9	-78.9	0	0	0	113.6
143	Y	32.7	Very low	39.3	Very low	232 Å²	232	141.9 Å²	141.9	91%	0.91	77%	0.767	S	S	*	*			cis	-110.3	157.4	21.3	-81.4	-101.7	0	0	0	116
144	S	36.4	Very low	39.3	Very low	94 Å²	94	141.5 Å²	141.5	66%	0.657	77%	0.769	S	S	*	*			trans	-65.5	140.1	-175.9	178.2	0	0	0	0	115	V146	S144-V146 PolarHBondContact OG-N 2.95Å
145	R	36.4	Very low	38.9	Very low	249 Å²	249	144.7 Å²	144.7	94%	0.94	78%	0.779	S	S	*	*				-146.4	83.4	127	-157.9	169.8	-170.5	162.5	3.5	113.1
146	V	36.8	Very low	39	Very low	104 Å²	104	145.6 Å²	145.6	63%	0.63	78%	0.776	S	S	*	*			trans	14.2	125.8	151.1	-174.8	0	0	0	0	119.6	S144	S144-V146 PolarHBondContact OG-N 2.95Å
147	N	35.1	Very low	39.3	Very low	155 Å²	155	151.7 Å²	151.7	83%	0.829	79%	0.788	S	S	*	*			trans	53.4	107.5	154.7	-62	3.5	0	0	0	121
148	A	33.3	Very low	38.8	Very low	106 Å²	106	146.5 Å²	146.5	88%	0.876	78%	0.779	S	S	*	*				-136.9	157.9	96.4	0	0	0	0	0	109
149	S	41.9	Very low	38.9	Very low	119 Å²	119	149.9 Å²	149.9	83%	0.832	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-88.7	158.6	-164.6	52.1	0	0	0	0	115.7
150	D	34.2	Very low	39.1	Very low	159 Å²	159	151.1 Å²	151.1	85%	0.85	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-60.1	157.9	178.1	-88	-59.7	0	0	0	115.3
151	P	49.9	Very low	39.3	Very low	107 Å²	107	153.3 Å²	153.3	70%	0.695	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-94.4	159.4	177.9	38.4	-35.3	0	0	0	113.6
152	L	39.3	Very low	39.7	Very low	168 Å²	168	152.4 Å²	152.4	88%	0.88	79%	0.794	S	S	*	*			trans	170.9	160.9	151.7	-97.2	166.8	0	0	0	109
153	P	43.5	Very low	40.3	Very low	116 Å²	116	150.7 Å²	150.7	75%	0.753	80%	0.798	S	S	*	*				-113.4	-175.2	-51.3	26.7	-7.9	0	0	0	111.5
154	S	45.2	Very low	41.2	Very low	108 Å²	108	144.7 Å²	144.7	76%	0.755	79%	0.787	S	S	*	*			trans	-72.6	134.1	169.8	177.5	0	0	0	0	112.1
155	D	34.7	Very low	41.6	Very low	156 Å²	156	148.8 Å²	148.8	83%	0.834	80%	0.795	S	S	*	*			trans	-133.5	159.7	156.3	-160.5	5.8	0	0	0	110.5
156	K	43.6	Very low	42.3	Very low	168 Å²	168	142.3 Å²	142.3	73%	0.73	79%	0.785	S	S	*	*			trans	-119	158.6	-171.9	-69.1	179.8	176.2	177.3	0	111.8
157	R	45.2	Very low	42.2	Very low	232 Å²	232	144 Å²	144	88%	0.875	80%	0.796	S	S	*	*			trans	77.5	154	169.8	-41.6	175.9	-178.7	-177.8	-0.2	113.1
158	N	38.8	Very low	42.3	Very low	143 Å²	143	147.2 Å²	147.2	77%	0.765	80%	0.796	S	S	*	*			cis	-123.3	158.6	4.2	-72.2	-80.3	0	0	0	112
159	F	44	Very low	43.2	Very low	193 Å²	193	147 Å²	147	85%	0.846	79%	0.786	S	S	*	*			trans	-77.6	123.5	165.1	-79.6	-102.1	0	0	0	110.4
160	I	38.5	Very low	43.7	Very low	149 Å²	149	146.3 Å²	146.3	76%	0.764	78%	0.779	S	S	*	*			trans	-142.8	125.4	152.9	-55.8	-178.1	0	0	0	107.9
161	H	42.3	Very low	43.7	Very low	170 Å²	170	145.2 Å²	145.2	79%	0.787	78%	0.778	S	S	*	*			trans	-113.7	125.4	171.4	-79	-78.5	0	0	0	110.7
162	P	44.5	Very low	43	Very low	110 Å²	110	144.4 Å²	144.4	71%	0.714	78%	0.78	S	S	*	*			trans	-88.7	168.7	155.1	-15	33	0	0	0	112.8
163	P	50.1	Low	42.9	Very low	127 Å²	127	142.7 Å²	142.7	83%	0.825	78%	0.777	S	S	*	*			trans	-83.2	174.5	-161.5	-14.6	32.8	0	0	0	117
164	P	50.4	Low	43.2	Very low	105 Å²	105	143.2 Å²	143.2	68%	0.682	78%	0.78	S	S	*	*			trans	-105.8	149.8	-162.3	38.5	-34.2	0	0	0	117.5
165	H	45.9	Very low	42.8	Very low	180 Å²	180	143.3 Å²	143.3	83%	0.833	78%	0.78	S	S	*	*			trans	68.9	160.4	144.7	-73.1	-35.7	0	0	0	118.2
166	P	50	Low	42.9	Very low	113 Å²	113	142.8 Å²	142.8	73%	0.734	78%	0.783	S	S	*	*			cis	-149.4	-178	39.5	39.8	-15.6	0	0	0	120.8
167	V	35.8	Very low	42.6	Very low	140 Å²	140	143.7 Å²	143.7	85%	0.848	79%	0.787	S	S	*	*			trans	83.3	140.4	162.3	-161.6	0	0	0	0	120
168	R	37.6	Very low	42.9	Very low	222 Å²	222	137.2 Å²	137.2	84%	0.838	77%	0.774	S	S	*	*			trans	-166.4	173.4	178.1	-153.2	-149.8	172.5	-170.5	-1	105.5
169	P	50.8	Low	42.5	Very low	101 Å²	101	135.2 Å²	135.2	66%	0.656	77%	0.772	S	S	*	*			cis	-116.1	-138.1	-23.8	40.5	-20.2	0	0	0	108.9
170	P	53.2	Low	42.3	Very low	106 Å²	106	133.5 Å²	133.5	69%	0.688	77%	0.77	S	S	*	*			cis	-133.9	-157.8	-19.1	33.4	-9.6	0	0	0	114.3
171	T	33.8	Very low	42.9	Very low	136 Å²	136	131 Å²	131	83%	0.834	76%	0.763	S	S	*	*			trans	87.5	127.5	157	-48.7	0	0	0	0	115.6
172	A	36.1	Very low	42.6	Very low	90 Å²	90	131.4 Å²	131.4	74%	0.744	77%	0.766	S	S	*	*			cis	-153	170.5	-7.5	0	0	0	0	0	112.4
173	V	37.2	Very low	42.2	Very low	132 Å²	132	131.2 Å²	131.2	80%	0.8	76%	0.762	S	S	*	*			trans	-112.1	152	158.7	-148.1	0	0	0	0	107.2
174	P	50.1	Low	41.7	Very low	127 Å²	127	133.7 Å²	133.7	83%	0.825	76%	0.763	S	S	*	*				-142.8	168.2	101.2	36.6	-21.8	0	0	0	114.4
175	S	36.8	Very low	40.9	Very low	109 Å²	109	133.1 Å²	133.1	76%	0.762	77%	0.767	S	S	*	*			trans	-109.8	139	-179.5	125.7	0	0	0	0	111.2
176	V	35.6	Very low	40.4	Very low	146 Å²	146	131.2 Å²	131.2	89%	0.885	76%	0.763	S	S	*	*			trans	-140.3	145.3	164	-174.7	0	0	0	0	111.1
177	K	37.5	Very low	39.7	Very low	187 Å²	187	131.2 Å²	131.2	81%	0.813	76%	0.761	S	S	*	*			trans	-158.5	167.5	179.9	-156.9	-140.1	177.2	-177.2	0	105.8
178	P	52.8	Low	39.7	Very low	95 Å²	95	130 Å²	130	62%	0.617	75%	0.754	S	S	*	*			cis	-124.4	-178.2	-19.5	35.3	-17.4	0	0	0	114.8
179	S	29.9	Very low	39.6	Very low	102 Å²	102	125.3 Å²	125.3	71%	0.713	75%	0.75	S	S	*	*			trans	145.1	116.6	131.6	-62.2	0	0	0	0	112.6
180	I	39.2	Very low	39.1	Very low	157 Å²	157	126.4 Å²	126.4	81%	0.805	76%	0.755	S	S	*	*				61.9	127.6	77.1	-66.4	175.6	0	0	0	113.2
181	P	51.4	Low	38.3	Very low	96 Å²	96	130.8 Å²	130.8	62%	0.623	77%	0.766	S	S	*	*			cis	-147.2	-161.7	-22.2	43	-21.9	0	0	0	115.2
182	Q	36.4	Very low	38.4	Very low	179 Å²	179	135.4 Å²	135.4	84%	0.836	77%	0.769	S	S	*	*			trans	68.6	156.4	150.9	-76.9	-175.6	-29.7	0	0	119.8
183	T	35	Very low	38.2	Very low	105 Å²	105	136.6 Å²	136.6	64%	0.644	77%	0.771	S	S	*	*			cis	-156.8	154.8	-28.1	-53.5	0	0	0	0	105.3
184	E	40.1	Very low	38.4	Very low	180 Å²	180	135.6 Å²	135.6	84%	0.841	77%	0.765	S	S	*	*				161.7	-170.7	77.9	-160.7	136.8	-109.4	0	0	111.3
185	A	34.1	Very low	37.8	Very low	92 Å²	92	139.4 Å²	139.4	76%	0.76	76%	0.764	S	S	*	*			trans	77.9	135.7	174.5	0	0	0	0	0	116.7
186	D	35.7	Very low	37.8	Very low	141 Å²	141	141 Å²	141	75%	0.754	76%	0.759	S	S	*	*			cis	-157.4	-165.2	-6.6	-142.7	-4.4	0	0	0	108.7
187	T	33.8	Very low	37.6	Very low	112 Å²	112	140.9 Å²	140.9	69%	0.687	75%	0.752	S	S	*	*			cis	-154.5	168	12.3	-15.2	0	0	0	0	113.9
188	T	36.9	Very low	37.4	Very low	115 Å²	115	137.1 Å²	137.1	71%	0.706	75%	0.745	S	S	*	*			trans	-53.4	170.1	164.7	51.8	0	0	0	0	117.8
189	T	35.9	Very low	36.4	Very low	123 Å²	123	138.6 Å²	138.6	76%	0.755	75%	0.753	S	S	*	*			cis	-170.6	151	-13.8	-89.6	0	0	0	0	112.5
190	T	39.4	Very low	36.6	Very low	125 Å²	125	140.2 Å²	140.2	77%	0.767	75%	0.754	S	S	*	*			trans	-13	137.7	163.6	-47.6	0	0	0	0	123.5
191	Q	36.2	Very low	36.3	Very low	197 Å²	197	137.6 Å²	137.6	92%	0.921	75%	0.749	S	S	*	*			trans	-154.7	-176.2	134.2	-118	-170.1	33.8	0	0	114.8
192	R	37.3	Very low	35.4	Very low	234 Å²	234	138.7 Å²	138.7	88%	0.883	75%	0.754	S	S	*	*			trans	-149.9	135	-147.7	167.9	-165.7	-179.7	-174.8	3.7	115.3
193	S	31.3	Very low	35.1	Very low	114 Å²	114	135.8 Å²	135.8	80%	0.797	75%	0.749	S	S	*	*			trans	-172.4	-179.7	151.1	-154.7	0	0	0	0	113.2
194	T	40.8	Very low	35.2	Very low	111 Å²	111	140 Å²	140	68%	0.681	76%	0.758	S	S	*	*				-160.1	137.3	-81.7	-52.5	0	0	0	0	110.8
195	R	36.8	Very low	34.8	Very low	208 Å²	208	136.6 Å²	136.6	79%	0.785	75%	0.754	S	S	*	*			trans	133.5	130	144.7	-78.8	-174.7	167.6	-128.5	7.6	118.4
196	Q	38.3	Very low	34.7	Very low	143 Å²	143	136.2 Å²	136.2	67%	0.668	75%	0.751	S	S	*	*			trans	62.8	154.8	143.7	-62.6	175.9	-93.8	0	0	118.6
197	L	31.9	Very low	34.6	Very low	142 Å²	142	138.7 Å²	138.7	74%	0.743	76%	0.755	S	S	*	*			cis	-147.3	166.9	11.3	-163.1	59.2	0	0	0	113.2
198	T	31.4	Very low	34.4	Very low	108 Å²	108	139.2 Å²	139.2	66%	0.663	76%	0.758	S	S	*	*			trans	-36	154.2	174.4	-23	0	0	0	0	116.9
199	T	32.2	Very low	34.2	Very low	127 Å²	127	142 Å²	142	78%	0.779	76%	0.764	S	S	*	*				-169.9	159.8	55.8	-44.4	0	0	0	0	114.5
200	D	33.7	Very low	34	Very low	136 Å²	136	145.1 Å²	145.1	73%	0.727	77%	0.77	S	S	*	*			trans	-74.6	-177.6	178.4	-43.5	-93.8	0	0	0	114.5
201	S	33.3	Very low	33.5	Very low	101 Å²	101	145 Å²	145	71%	0.706	77%	0.768	S	S	*	*			cis	-151.3	161	21	-75.4	0	0	0	0	111.1
202	T	32.1	Very low	33.4	Very low	119 Å²	119	140.7 Å²	140.7	73%	0.73	76%	0.761	S	S	*	*				58.6	135.4	69.7	-11.7	0	0	0	0	113.5
203	T	32	Very low	33	Very low	119 Å²	119	134.9 Å²	134.9	73%	0.73	76%	0.756	S	S	*	*			cis	-163.8	173.2	29.8	-32.2	0	0	0	0	114.9
204	K	36.3	Very low	33	Very low	194 Å²	194	134.3 Å²	134.3	84%	0.843	75%	0.752	S	S	*	*			trans	-28	168.3	153.7	-72.1	173.8	-178.2	177.9	0	118.2
205	S	32.2	Very low	32.7	Very low	107 Å²	107	133.7 Å²	133.7	75%	0.748	75%	0.752	S	S	*	*			cis	178	165.4	-9.9	171.1	0	0	0	0	112.1
206	A	32.2	Very low	32.3	Very low	84 Å²	84	129.9 Å²	129.9	69%	0.694	75%	0.747	S	S	*	*			trans	79.7	140.5	151.6	0	0	0	0	0	123.5
207	F	32.4	Very low	32.2	Very low	194 Å²	194	131 Å²	131	85%	0.851	76%	0.757	S	S	*	*			trans	25.2	145.6	146.1	-79.4	-100.1	0	0	0	121.3
208	T	29.3	Very low	32.1	Very low	122 Å²	122	131 Å²	131	75%	0.748	75%	0.754	S	S	*	*				-160.9	176.7	57.9	-55.2	0	0	0	0	112.7
209	E	33.3	Very low	32.1	Very low	175 Å²	175	132.9 Å²	132.9	82%	0.818	77%	0.765	S	S	*	*			trans	-66.2	163	175.4	-53.2	161.5	109.3	0	0	114.9
210	Q	32.4	Very low	32.3	Very low	188 Å²	188	134 Å²	134	88%	0.879	76%	0.761	S	S	*	*				173.9	143.2	108.9	-173	162.6	-10.5	0	0	115.1
211	T	28.4	Very low	32	Very low	121 Å²	121	133.3 Å²	133.3	74%	0.742	76%	0.762	S	S	*	*			trans	-41.9	146.1	169	-49.1	0	0	0	0	118.5
212	S	32.9	Very low	31.9	Very low	108 Å²	108	133.8 Å²	133.8	76%	0.755	76%	0.761	S	S	*	*				-177.6	146.1	126.3	-79.7	0	0	0	0	116.7
213	S	29.7	Very low	32.2	Very low	112 Å²	112	134.9 Å²	134.9	78%	0.783	76%	0.761	S	S	*	*			trans	-13.9	155.4	161.1	56.2	0	0	0	0	120.3
214	S	32	Very low	32	Very low	101 Å²	101	137.5 Å²	137.5	71%	0.706	77%	0.769	S	S	*	*			cis	-163	160.3	46.4	58.2	0	0	0	0	116.5
215	S	33.5	Very low	31.7	Very low	98 Å²	98	133.5 Å²	133.5	69%	0.685	76%	0.761	S	S	*	*			trans	39.1	148.9	138.5	-64.8	0	0	0	0	122.8
216	D	29.8	Very low	31.6	Very low	128 Å²	128	135.5 Å²	135.5	68%	0.684	77%	0.769	S	S	*	*			cis	-169.5	148.2	-18.6	-110.5	-58.2	0	0	0	107.8
217	N	34.5	Very low	31.6	Very low	166 Å²	166	135.6 Å²	135.6	89%	0.888	77%	0.77	S	S	*	*				-176.5	140.7	129.3	-103.9	-60.7	0	0	0	112.7
218	H	31.3	Very low	31.5	Very low	143 Å²	143	131.3 Å²	131.3	66%	0.662	77%	0.77	S	S	*	*			trans	-118	116.7	-167.9	166.1	-64.3	0	0	0	110.4
219	V	30.1	Very low	31.6	Very low	148 Å²	148	132 Å²	132	90%	0.897	77%	0.774	S	S	*	*			trans	-131.7	118.8	162.7	-175.7	0	0	0	0	110.5
220	Q	36	Very low	31.4	Very low	150 Å²	150	129.2 Å²	129.2	70%	0.701	77%	0.774	S	S	*	*			trans	-107.9	150.2	172.3	176.1	-172.3	73.1	0	0	107.1
221	T	28.2	Very low	31.4	Very low	121 Å²	121	124.7 Å²	124.7	74%	0.742	77%	0.769	S	S	*	*			trans	161.1	110.9	147.2	-73.2	0	0	0	0	113.1
222	T	30.8	Very low	31.7	Very low	112 Å²	112	125.9 Å²	125.9	69%	0.687	77%	0.766	S	S	*	*				34	116.8	124.4	-41.2	0	0	0	0	121.8
223	I	38.4	Very low	32.3	Very low	142 Å²	142	127 Å²	127	73%	0.728	77%	0.77	S	S	*	*				24.8	124	129.9	-47.5	165	0	0	0	118.5
224	L	27.9	Very low	32.4	Very low	173 Å²	173	125.4 Å²	125.4	91%	0.906	76%	0.76	S	S	*	*			trans	-150.6	158.3	130	-139.5	76.6	0	0	0	113.5
225	T	30	Very low	32.5	Very low	111 Å²	111	128.4 Å²	128.4	68%	0.681	77%	0.766	S	S	*	*			trans	-100.1	147.7	-173.5	-49.4	0	0	0	0	111.9
226	T	30.3	Very low	32.3	Very low	149 Å²	149	128.9 Å²	128.9	91%	0.914	77%	0.765	S	S	*	*			trans	-139.8	137.8	149.2	-29.9	0	0	0	0	110.4
227	A	33.3	Very low	32.5	Very low	85 Å²	85	128.7 Å²	128.7	70%	0.702	77%	0.768	S	S	*	*			trans	-123.7	158.8	179	0	0	0	0	0	111.2
228	A	30.5	Very low	32.3	Very low	104 Å²	104	125.8 Å²	125.8	86%	0.86	76%	0.761	S	S	*	*			trans	-136.6	77	175.1	0	0	0	0	0	111.3
229	T	30.2	Very low	32.6	Very low	136 Å²	136	126.6 Å²	126.6	83%	0.834	77%	0.771	S	S	*	*			trans	-14.6	133.7	159.7	-47.8	0	0	0	0	118.5
230	S	29.5	Very low	33.5	Very low	118 Å²	118	125.1 Å²	125.1	83%	0.825	76%	0.764	S	S	*	*			trans	162.8	130.5	135.1	-177	0	0	0	0	110.7
231	A	33	Very low	33.7	Very low	92 Å²	92	125.4 Å²	125.4	76%	0.76	77%	0.769	S	S	*	*			cis	-155.2	163	-13.9	0	0	0	0	0	110.1
232	E	33.6	Very low	33.7	Very low	147 Å²	147	126.1 Å²	126.1	69%	0.687	77%	0.773	S	S	*	*			trans	-94	171.6	174.8	-138.3	-168	109.2	0	0	110.6	S234	E232-S234 WeakPolarHBondContact OE1-CB 3.35Å; E232-S234 PolarHBondContact OE1-N 3.47Å; E232-S234 VanDerWaalsContact OE1-N 3.08Å; E232-S234 PolarHBondContact OE1-OG 3.47Å
233	P	45.7	Very low	34	Very low	130 Å²	130	126 Å²	126	84%	0.844	78%	0.777	S	S	*	*				-139	162.9	70.5	29.6	-8.4	0	0	0	116.2
234	S	31.8	Very low	35.1	Very low	80 Å²	80	125 Å²	125	56%	0.559	78%	0.779	S	S	*	*			trans	-99.7	167.5	-175.3	43.8	0	0	0	0	115.2	E232	E232-S234 WeakPolarHBondContact OE1-CB 3.35Å; E232-S234 PolarHBondContact OE1-N 3.47Å; E232-S234 VanDerWaalsContact OE1-N 3.08Å; E232-S234 PolarHBondContact OE1-OG 3.47Å
235	I	35.1	Very low	35.1	Very low	164 Å²	164	123.5 Å²	123.5	84%	0.841	78%	0.778	S	S	*	*			trans	-138.1	91.5	152.9	-51.1	-179.5	0	0	0	110.8
236	T	29.2	Very low	35.2	Very low	107 Å²	107	123 Å²	123	66%	0.656	78%	0.778	S	S	*	*				43.1	109.4	123	-42.4	0	0	0	0	121.3
237	T	32.7	Very low	35.3	Very low	124 Å²	124	123.2 Å²	123.2	76%	0.761	78%	0.78	S	S	*	*				53.5	131.1	129.7	-32.6	0	0	0	0	119.1
238	S	30.3	Very low	35.1	Very low	105 Å²	105	125.9 Å²	125.9	73%	0.734	78%	0.782	S	S	*	*				-174.2	154.6	69.2	-52	0	0	0	0	114.6
239	N	38.7	Very low	35.1	Very low	161 Å²	161	127.3 Å²	127.3	86%	0.861	77%	0.774	S	S	*	*			trans	-115.3	151.3	158	-86.3	-15.8	0	0	0	107.1
240	P	49.5	Very low	35.1	Very low	116 Å²	116	128.4 Å²	128.4	75%	0.753	77%	0.77	S	S	*	*				-157	166	71.9	41.9	-21	0	0	0	119.7
241	I	39	Very low	35.5	Very low	157 Å²	157	128.6 Å²	128.6	81%	0.805	77%	0.766	S	S	*	*			trans	12.2	121.7	143.2	-51.9	166.9	0	0	0	119.1
242	T	29	Very low	36.1	Very low	135 Å²	135	129.8 Å²	129.8	83%	0.828	77%	0.766	S	S	*	*				-165.3	165.3	125.7	-1.4	0	0	0	0	113.9
243	S	35.9	Very low	36	Very low	111 Å²	111	127.2 Å²	127.2	78%	0.776	77%	0.77	S	S	*	*			trans	-159.5	175.4	170.2	-55.4	0	0	0	0	107.5
244	P	62.1	Low	35.1	Very low	119 Å²	119	124.5 Å²	124.5	77%	0.773	77%	0.766	S	S	*	*			cis	-116.9	-178.5	-38.2	39.6	-27.4	0	0	0	110.8
245	T	28.5	Very low	35	Very low	143 Å²	143	128.9 Å²	128.9	88%	0.877	78%	0.782	S	S	*	*			trans	-160.6	152.9	155.5	-77.1	0	0	0	0	110.5
246	S	32	Very low	34.6	Very low	99 Å²	99	125.8 Å²	125.8	69%	0.692	78%	0.775	S	S	*	*			trans	-87.2	163.2	-175.6	49.9	0	0	0	0	115
247	V	32	Very low	34.6	Very low	155 Å²	155	127.1 Å²	127.1	94%	0.939	78%	0.783	S	S	*	*			trans	-134.2	156.5	133.6	-132.5	0	0	0	0	108
248	D	28.3	Very low	34.9	Very low	141 Å²	141	127.1 Å²	127.1	75%	0.754	78%	0.783	S	S	*	*			trans	-133.3	-171.7	-162.2	-161.2	-5	0	0	0	110.6
249	L	31.6	Very low	35.5	Very low	133 Å²	133	127.9 Å²	127.9	70%	0.696	79%	0.786	S	S	*	*			trans	78.1	142.1	175.3	-94.6	63.8	0	0	0	116.3
250	E	29.1	Very low	35.3	Very low	159 Å²	159	129.4 Å²	129.4	74%	0.743	79%	0.785	S	S	*	*			cis	-147.1	161.7	5.7	-161.2	158.2	-174.5	0	0	113.1
251	T	38.1	Very low	34.3	Very low	122 Å²	122	130.2 Å²	130.2	75%	0.748	79%	0.788	S	S	*	*			trans	-152.2	133.3	174.2	-70	0	0	0	0	110.7
252	P	45.7	Very low	33.9	Very low	117 Å²	117	127.5 Å²	127.5	76%	0.76	78%	0.783	S	S	*	*			trans	-123.7	133.5	134	3.5	17.7	0	0	0	110.1
253	A	32.5	Very low	34.3	Very low	93 Å²	93	128.1 Å²	128.1	77%	0.769	78%	0.78	S	S	*	*			cis	85	117.5	35.1	0	0	0	0	0	114.8
254	G	27	Very low	34.3	Very low	73 Å²	73	129 Å²	129	75%	0.753	78%	0.782	S	S	*	*			trans	108.9	142.1	167.5	0	0	0	0	0	115.4
255	L	28.3	Very low	32.9	Very low	173 Å²	173	127.2 Å²	127.2	91%	0.906	78%	0.778	S	S	*	*			cis	-155.3	165.7	-10.7	-156.2	67.3	0	0	0	110.9
256	S	27.9	Very low	33	Very low	98 Å²	98	127.1 Å²	127.1	69%	0.685	78%	0.777	S	S	*	*			trans	-48.2	159.1	179.5	-45.4	0	0	0	0	116.6
257	T	28.1	Very low	33.1	Very low	135 Å²	135	128.7 Å²	128.7	83%	0.828	78%	0.783	S	S	*	*				163.4	141.3	103	-59.8	0	0	0	0	111.2
258	T	40.4	Very low	33.3	Very low	124 Å²	124	127.2 Å²	127.2	76%	0.761	77%	0.774	S	S	*	*			trans	-87.3	157.1	172.2	51.4	0	0	0	0	111.5
259	P	41.2	Very low	33.5	Very low	122 Å²	122	128.9 Å²	128.9	79%	0.792	78%	0.777	S	S	*	*				-145.9	172.3	106.3	37.9	-23.2	0	0	0	115.4
260	F	35.2	Very low	33.7	Very low	192 Å²	192	130.2 Å²	130.2	84%	0.842	78%	0.777	S	S	*	*			trans	-57.8	163.7	163.4	-58.8	-105.2	0	0	0	112.4
261	T	29	Very low	33.8	Very low	133 Å²	133	129.3 Å²	129.3	82%	0.816	77%	0.773	S	S	*	*				-175.4	144.2	126.8	-81.8	0	0	0	0	114.1
262	S	30.8	Very low	33.7	Very low	100 Å²	100	130.2 Å²	130.2	70%	0.699	78%	0.778	S	S	*	*			trans	53.8	114.8	158.8	70.2	0	0	0	0	122.8
263	I	36.7	Very low	33	Very low	149 Å²	149	128.5 Å²	128.5	76%	0.764	78%	0.781	S	S	*	*			trans	-59.2	151.1	138.9	-63.1	153.7	0	0	0	110.2	A265	I263-A265 HydrophobicContact CG2-CB 3.8Å
264	P	36.1	Very low	33.6	Very low	128 Å²	128	133.2 Å²	133.2	83%	0.831	79%	0.788	S	S	*	*			trans	-120.7	136.4	134.8	34.7	-29.7	0	0	0	111.6
265	A	31.8	Very low	33.9	Very low	82 Å²	82	136 Å²	136	68%	0.678	79%	0.785	S	S	*	*			trans	-134	108.6	-177.5	0	0	0	0	0	111.5	I263	I263-A265 HydrophobicContact CG2-CB 3.8Å
266	T	31.6	Very low	34.7	Very low	141 Å²	141	135 Å²	135	87%	0.865	78%	0.781	S	S	*	*			trans	-175.4	151.8	161.6	29.1	0	0	0	0	106.5
267	T	32.8	Very low	35.1	Very low	132 Å²	132	135.2 Å²	135.2	81%	0.81	78%	0.778	S	S	*	*			cis	-124.6	163.6	17.1	42.4	0	0	0	0	113.7
268	V	36.2	Very low	36.1	Very low	124 Å²	124	135.7 Å²	135.7	75%	0.752	78%	0.781	S	S	*	*			trans	-102.3	136	175	168.3	0	0	0	0	110.1
269	H	34.5	Very low	35.9	Very low	177 Å²	177	138 Å²	138	82%	0.819	78%	0.783	S	S	*	*			trans	-152.3	127.8	140.3	-85.4	-80.1	0	0	0	106.8
270	K	34.2	Very low	35.9	Very low	160 Å²	160	140 Å²	140	70%	0.696	78%	0.782	S	S	*	*				62	126.3	68.1	-102.4	-154.5	166.2	-152.8	0	111.9
271	E	31.5	Very low	36.5	Very low	140 Å²	140	136.8 Å²	136.8	65%	0.654	78%	0.78	S	S	*	*			cis	-145.7	158.8	13.4	-85.5	-180	143.8	0	0	114.5
272	V	35.8	Very low	37.5	Very low	141 Å²	141	132.5 Å²	132.5	86%	0.855	76%	0.762	S	S	*	*			trans	32.3	132.9	131.8	-171.1	0	0	0	0	120.4
273	G	30.6	Very low	38.6	Very low	81 Å²	81	132.7 Å²	132.7	84%	0.835	76%	0.763	S	S	*	*			trans	-179.3	96.3	165.6	0	0	0	0	0	112.1
274	E	45.5	Very low	39.1	Very low	192 Å²	192	127.6 Å²	127.6	90%	0.897	75%	0.748	S	S	*	*			trans	-100.9	131.2	175.7	179.8	175.4	103	0	0	108.9
275	D	33.6	Very low	39.6	Very low	131 Å²	131	131.5 Å²	131.5	70%	0.701	75%	0.746	S	S	*	*			trans	-155.7	128.5	167.6	-171.4	38.5	0	0	0	110.8	T277	D275-T277 PolarHBondContact OD2-OG1 2.93Å
276	D	44.5	Very low	40.6	Very low	153 Å²	153	133.8 Å²	133.8	82%	0.818	74%	0.743	S	S	*	*			trans	-97.9	86	179.9	-101	-45.7	0	0	0	109.8
277	T	36.3	Very low	41.8	Very low	102 Å²	102	131.7 Å²	131.7	63%	0.626	73%	0.729	S	S	*	*			trans	-90	108	178.2	-6.1	0	0	0	0	111.9	D275 E279	D275-T277 PolarHBondContact OD2-OG1 2.93Å; T277-E279 PolarHBondContact O-N 3.45Å
278	V	49.2	Very low	42.9	Very low	146 Å²	146	127.9 Å²	127.9	89%	0.885	71%	0.711	S	S	*	*			trans	-74.4	90.6	175	-179.6	0	0	0	0	110
279	E	37.3	Very low	44	Very low	172 Å²	172	124.2 Å²	124.2	80%	0.804	69%	0.694	S	S	*	*			trans	-75.7	133.7	177.5	-83.5	-76.6	109.6	0	0	113	T277	T277-E279 PolarHBondContact O-N 3.45Å
280	E	40.9	Very low	45.3	Very low	164 Å²	164	121.1 Å²	121.1	77%	0.766	68%	0.68	S	S	*	*			trans	-68	148.8	-177.4	-169.5	-178.8	117.6	0	0	112.3	G282	E280-G282 PolarHBondContact O-N 3.28Å
281	P	48	Very low	46.9	Very low	124 Å²	124	117.3 Å²	117.3	81%	0.805	67%	0.67	S	S	*	*			trans	-74.1	51.8	-178.5	31.3	-38	0	0	0	114.5
282	G	48.9	Very low	48.5	Very low	43 Å²	43	116.4 Å²	116.4	44%	0.443	67%	0.669	S	S	.	*			trans	-85.2	155.1	-176.6	0	0	0	0	0	115.5	E280 G284	E280-G282 PolarHBondContact O-N 3.28Å; G282-G284 VanDerWaalsContact C-N 3.28Å; G282-G284 PolarHBondContact O-N 2.92Å
283	S	54.8	Low	50	Low	104 Å²	104	115.2 Å²	115.2	73%	0.727	66%	0.657	S	S	*	*	S	Bend	trans	63.2	-36.3	165.1	79.5	0	0	0	0	120.4	W285 H286	S283-W285 VanDerWaalsContact C-N 3.33Å; S283-W285 PolarHBondContact O-N 2.93Å; S283-W285 VanDerWaalsContact O-N 3.15Å; S283-H286 PolarHBondContact O-N 3.37Å
284	G	47.7	Very low	51.9	Low	42 Å²	42	115.4 Å²	115.4	43%	0.433	64%	0.642	S	S	.	*	H	α-helix	trans	-59.4	-34.8	-165.3	0	0	0	0	0	115.7	G282 H286 V287 A288	G282-G284 VanDerWaalsContact C-N 3.28Å; G282-G284 PolarHBondContact O-N 2.92Å; G284-H286 VanDerWaalsContact C-N 3.32Å; G284-H286 PolarHBondContact O-N 2.78Å; G284-V287 PolarHBondContact O-N 2.83Å; G284-A288 PolarHBondContact O-N 2.85Å
285	W	46.4	Very low	52.8	Low	210 Å²	210	107.4 Å²	107.4	80%	0.795	61%	0.609	S	S	*	*	H	α-helix	trans	-62.1	-34.1	-178.5	-68.1	94.4	0	0	0	113.8	S283 A288 A289	S283-W285 VanDerWaalsContact C-N 3.33Å; S283-W285 PolarHBondContact O-N 2.93Å; S283-W285 VanDerWaalsContact O-N 3.15Å; W285-A288 PolarHBondContact O-N 2.91Å; W285-A289 VanDerWaalsContact O-CB 3.31Å; W285-A289 WeakPolarHBondContact O-CB 3.39Å; W285-A289 PolarHBondContact O-N 3.28Å
286	H	51.8	Low	54.3	Low	131 Å²	131	105.6 Å²	105.6	61%	0.606	60%	0.602	S	S	*	*	H	α-helix	trans	-67.2	-39.6	177.3	-80.2	-81.3	0	0	0	111.6	S283 G284 A289 H290	S283-H286 PolarHBondContact O-N 3.37Å; G284-H286 VanDerWaalsContact C-N 3.32Å; G284-H286 PolarHBondContact O-N 2.78Å; H286-A289 PolarHBondContact O-N 2.88Å; H286-H290 WeakPolarHBondContact O-CB 3.46Å; H286-H290 PolarHBondContact O-CD2 3.3Å; H286-H290 PolarHBondContact O-N 3.01Å
287	V	57.5	Low	55.5	Low	97 Å²	97	100.9 Å²	100.9	59%	0.588	58%	0.584	S	S	*	*	H	α-helix	trans	-62.4	-49.4	176.1	-175.1	0	0	0	0	109.8	G284 A289 H290 T291	G284-V287 PolarHBondContact O-N 2.83Å; V287-A289 PolarHBondContact O-N 3.27Å; V287-H290 PolarHBondContact O-N 3.19Å; V287-T291 WeakPolarHBondContact O-CB 3.36Å; V287-T291 PolarHBondContact O-N 3.15Å; V287-T291 PolarHBondContact O-OG1 2.96Å; V287-T291 VanDerWaalsContact O-OG1 3.05Å
288	A	55.9	Low	57	Low	52 Å²	52	98.3 Å²	98.3	43%	0.43	57%	0.566	S	S	.	*	H	α-helix	trans	-59.5	-44.8	178.3	0	0	0	0	0	112.8	G284 W285 T291 L292	G284-A288 PolarHBondContact O-N 2.85Å; W285-A288 PolarHBondContact O-N 2.91Å; A288-T291 PolarHBondContact O-N 3.44Å; A288-L292 WeakPolarHBondContact O-CG 3.22Å; A288-L292 PolarHBondContact O-N 3.34Å
289	A	59.1	Low	57.7	Low	47 Å²	47	92.1 Å²	92.1	39%	0.388	53%	0.529	S	S	.	.	H	α-helix	trans	-65	-42.1	177.8	0	0	0	0	0	112.5	W285 H286 V287 L292 L293	W285-A289 VanDerWaalsContact O-CB 3.31Å; W285-A289 WeakPolarHBondContact O-CB 3.39Å; W285-A289 PolarHBondContact O-N 3.28Å; H286-A289 PolarHBondContact O-N 2.88Å; V287-A289 PolarHBondContact O-N 3.27Å; A289-L292 PolarHBondContact O-N 3.37Å; A289-L293 WeakPolarHBondContact O-CB 3.36Å; A289-L293 WeakPolarHBondContact O-CG 3.49Å; A289-L293 PolarHBondContact O-N 3.02Å
290	H	61.6	Low	59	Low	112 Å²	112	88.4 Å²	88.4	52%	0.519	52%	0.518	S	S	.	.	H	α-helix	trans	-67.4	-39	175.5	-74.6	-56.1	0	0	0	112.1	H286 V287 L292 L293 V294	H286-H290 WeakPolarHBondContact O-CB 3.46Å; H286-H290 PolarHBondContact O-CD2 3.3Å; H286-H290 PolarHBondContact O-N 3.01Å; V287-H290 PolarHBondContact O-N 3.19Å; H290-L292 PolarHBondContact O-N 2.69Å; H290-L293 PolarHBondContact O-N 2.82Å; H290-V294 WeakPolarHBondContact O-CB 3.42Å; H290-V294 VanDerWaalsContact O-CG2 3.26Å; H290-V294 WeakPolarHBondContact O-CG2 3.46Å; H290-V294 PolarHBondContact O-N 3.45Å
291	T	67.5	Low	60.1	Low	80 Å²	80	86.3 Å²	86.3	49%	0.491	51%	0.51	S	S	.	.	H	α-helix	trans	-60.8	-42.8	173.2	-61	0	0	0	0	111.7	V287 A288 V294 A295	V287-T291 WeakPolarHBondContact O-CB 3.36Å; V287-T291 PolarHBondContact O-N 3.15Å; V287-T291 PolarHBondContact O-OG1 2.96Å; V287-T291 VanDerWaalsContact O-OG1 3.05Å; A288-T291 PolarHBondContact O-N 3.44Å; T291-V294 PolarHBondContact O-N 3.23Å; T291-A295 WeakPolarHBondContact O-CB 3.28Å; T291-A295 PolarHBondContact O-N 2.91Å
292	L	65	Low	60.7	Low	121 Å²	121	82.4 Å²	82.4	63%	0.634	48%	0.484	S	S	*	.	H	α-helix	trans	-64.3	-45.3	175.3	-77.6	167.7	0	0	0	112.5	A288 A289 H290 V294 A295 V296	A288-L292 WeakPolarHBondContact O-CG 3.22Å; A288-L292 PolarHBondContact O-N 3.34Å; A289-L292 PolarHBondContact O-N 3.37Å; H290-L292 PolarHBondContact O-N 2.69Å; L292-V294 VanDerWaalsContact C-N 3.35Å; L292-V294 PolarHBondContact O-N 2.98Å; L292-A295 PolarHBondContact O-N 2.99Å; L292-V296 WeakPolarHBondContact O-CG2 3.16Å; L292-V296 PolarHBondContact O-N 3.4Å
293	L	67.6	Low	61.2	Low	115 Å²	115	83.6 Å²	83.6	60%	0.602	49%	0.485	S	S	*	.	H	α-helix	trans	-63.1	-40	177.1	-74.5	169	0	0	0	112.2	A289 H290 V296 A297	A289-L293 WeakPolarHBondContact O-CB 3.36Å; A289-L293 WeakPolarHBondContact O-CG 3.49Å; A289-L293 PolarHBondContact O-N 3.02Å; H290-L293 PolarHBondContact O-N 2.82Å; L293-V296 PolarHBondContact O-N 2.84Å; L293-A297 WeakPolarHBondContact O-CB 3.44Å; L293-A297 PolarHBondContact O-N 3.5Å
294	V	71.1	Confident	61.1	Low	85 Å²	85	85.7 Å²	85.7	52%	0.515	48%	0.477	S	S	.	.	H	α-helix	trans	-64.5	-43.9	174.5	167.3	0	0	0	0	110.9	H290 T291 L292 A297 I298	H290-V294 WeakPolarHBondContact O-CB 3.42Å; H290-V294 VanDerWaalsContact O-CG2 3.26Å; H290-V294 WeakPolarHBondContact O-CG2 3.46Å; H290-V294 PolarHBondContact O-N 3.45Å; T291-V294 PolarHBondContact O-N 3.23Å; L292-V294 VanDerWaalsContact C-N 3.35Å; L292-V294 PolarHBondContact O-N 2.98Å; V294-A297 PolarHBondContact O-N 3.38Å; V294-I298 HydrophobicContact CG1-CD1 3.61Å; V294-I298 HydrophobicContact CG1-CG1 4.42Å; V294-I298 WeakPolarHBondContact O-CB 3.33Å; V294-I298 WeakPolarHBondContact O-CD1 3.5Å; V294-I298 VanDerWaalsContact O-CG1 3.22Å; V294-I298 WeakPolarHBondContact O-CG1 3.16Å; V294-I298 PolarHBondContact O-N 2.97Å
295	A	63.7	Low	61.2	Low	25 Å²	25	92.3 Å²	92.3	21%	0.207	49%	0.489	C	S	.	.	H	α-helix	trans	-60.4	-45.7	175.2	0	0	0	0	0	112.1	T18 T291 L292 I298 C299	T18-A295 HydrophobicContact CG2-CB 4.01Å; T291-A295 WeakPolarHBondContact O-CB 3.28Å; T291-A295 PolarHBondContact O-N 2.91Å; L292-A295 PolarHBondContact O-N 2.99Å; A295-I298 PolarHBondContact O-N 3.27Å; A295-C299 WeakPolarHBondContact O-CB 3.28Å; A295-C299 PolarHBondContact O-N 3.37Å; A295-C299 PolarHBondContact O-SG 3.43Å; A295-C299 VanDerWaalsContact O-SG 3.33Å
296	V	66.3	Low	61.4	Low	93 Å²	93	83.9 Å²	83.9	56%	0.564	47%	0.467	S	S	*	.	H	α-helix	trans	-62.3	-45.5	176.5	171.2	0	0	0	0	111.5	L292 L293 I298 C299 V300	L292-V296 WeakPolarHBondContact O-CG2 3.16Å; L292-V296 PolarHBondContact O-N 3.4Å; L293-V296 PolarHBondContact O-N 2.84Å; V296-I298 VanDerWaalsContact C-N 3.33Å; V296-I298 PolarHBondContact O-N 2.89Å; V296-C299 PolarHBondContact O-N 2.77Å; V296-V300 WeakPolarHBondContact O-CG2 3.43Å; V296-V300 PolarHBondContact O-N 3.11Å
297	A	69.3	Low	61.4	Low	54 Å²	54	83.7 Å²	83.7	45%	0.446	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-39.7	177.6	0	0	0	0	0	112.3	L293 V294 M301	L293-A297 WeakPolarHBondContact O-CB 3.44Å; L293-A297 PolarHBondContact O-N 3.5Å; V294-A297 PolarHBondContact O-N 3.38Å; A297-M301 WeakPolarHBondContact O-CB 3.42Å; A297-M301 VanDerWaalsContact O-CG 3.25Å; A297-M301 WeakPolarHBondContact O-CG 3.47Å; A297-M301 PolarHBondContact O-N 3.21Å
298	I	67.7	Low	61	Low	47 Å²	47	87.6 Å²	87.6	24%	0.241	47%	0.471	C	S	.	.	H	α-helix	trans	-63.1	-50.1	173.5	-73.8	166.4	0	0	0	110.4	V15 V294 A295 V296 V300 M301 V302	V15-I298 HydrophobicContact CB-CG2 4.46Å; V15-I298 HydrophobicContact CG1-CG2 4.01Å; V15-I298 HydrophobicContact CG2-CD1 4.12Å; V15-I298 HydrophobicContact CG2-CG2 4.01Å; V294-I298 HydrophobicContact CG1-CD1 3.61Å; V294-I298 HydrophobicContact CG1-CG1 4.42Å; V294-I298 WeakPolarHBondContact O-CB 3.33Å; V294-I298 WeakPolarHBondContact O-CD1 3.5Å; V294-I298 VanDerWaalsContact O-CG1 3.22Å; V294-I298 WeakPolarHBondContact O-CG1 3.16Å; V294-I298 PolarHBondContact O-N 2.97Å; A295-I298 PolarHBondContact O-N 3.27Å; V296-I298 VanDerWaalsContact C-N 3.33Å; V296-I298 PolarHBondContact O-N 2.89Å; I298-V300 VanDerWaalsContact C-N 3.29Å; I298-V300 PolarHBondContact O-N 3.02Å; I298-M301 PolarHBondContact O-N 3.07Å; I298-M301 VanDerWaalsContact O-N 3.15Å; I298-V302 HydrophobicContact CG2-CG2 4.1Å; I298-V302 WeakPolarHBondContact O-CB 3.25Å; I298-V302 WeakPolarHBondContact O-CG2 3.48Å; I298-V302 PolarHBondContact O-N 3.45Å
299	C	62.9	Low	60.8	Low	17 Å²	17	94.5 Å²	94.5	12%	0.115	49%	0.491	C	S	.	.	H	α-helix	trans	-57.4	-40.6	178.9	-73.8	0	0	0	0	112.5	C22 A295 V296 S303	C22-C299 VanDerWaalsContact SG-SG 3.69Å; A295-C299 WeakPolarHBondContact O-CB 3.28Å; A295-C299 PolarHBondContact O-N 3.37Å; A295-C299 PolarHBondContact O-SG 3.43Å; A295-C299 VanDerWaalsContact O-SG 3.33Å; V296-C299 PolarHBondContact O-N 2.77Å; C299-S303 WeakPolarHBondContact O-CB 3.33Å; C299-S303 PolarHBondContact O-N 3.45Å; C299-S303 PolarHBondContact O-OG 2.85Å
300	V	66.2	Low	60.2	Low	93 Å²	93	102.8 Å²	102.8	56%	0.564	51%	0.512	S	S	*	.	H	α-helix	trans	-65.5	-50	174	173	0	0	0	0	111.4	V296 I298 V302 S303 W304	V296-V300 WeakPolarHBondContact O-CG2 3.43Å; V296-V300 PolarHBondContact O-N 3.11Å; I298-V300 VanDerWaalsContact C-N 3.29Å; I298-V300 PolarHBondContact O-N 3.02Å; V300-V302 PolarHBondContact O-N 3.04Å; V300-S303 PolarHBondContact O-N 2.83Å; V300-W304 WeakPolarHBondContact O-CB 3.36Å; V300-W304 PolarHBondContact O-N 2.97Å
301	M	63.2	Low	59.5	Low	120 Å²	120	102.8 Å²	102.8	59%	0.591	52%	0.52	S	S	*	.	H	α-helix	trans	-65.8	-36.5	-177	-75.8	-73	-82.8	0	0	113.5	A297 I298 R305	A297-M301 WeakPolarHBondContact O-CB 3.42Å; A297-M301 VanDerWaalsContact O-CG 3.25Å; A297-M301 WeakPolarHBondContact O-CG 3.47Å; A297-M301 PolarHBondContact O-N 3.21Å; I298-M301 PolarHBondContact O-N 3.07Å; I298-M301 VanDerWaalsContact O-N 3.15Å; M301-R305 PolarHBondContact O-N 3.43Å; M301-R305 VanDerWaalsContact O-N 3.12Å
302	V	60.1	Low	58.5	Low	43 Å²	43	101.8 Å²	101.8	26%	0.261	53%	0.526	S	S	.	.	H	α-helix	trans	-77.5	-39.3	177.2	-178.1	0	0	0	0	110.7	E19 I298 V300 W304 R305 G306	E19-V302 HydrophobicContact CG-CG1 4.24Å; E19-V302 WeakPolarHBondContact OE1-CG1 3.22Å; I298-V302 HydrophobicContact CG2-CG2 4.1Å; I298-V302 WeakPolarHBondContact O-CB 3.25Å; I298-V302 WeakPolarHBondContact O-CG2 3.48Å; I298-V302 PolarHBondContact O-N 3.45Å; V300-V302 PolarHBondContact O-N 3.04Å; V302-W304 VanDerWaalsContact C-N 3.31Å; V302-W304 PolarHBondContact O-N 2.9Å; V302-R305 PolarHBondContact O-N 3.04Å; V302-G306 PolarHBondContact O-N 3.22Å
303	S	60.2	Low	57.6	Low	67 Å²	67	107.3 Å²	107.3	47%	0.469	54%	0.538	S	S	.	.	H	α-helix	trans	-56.2	-45.3	170.5	-65.3	0	0	0	0	111.7	C299 V300 R305 G306 Q307	C299-S303 WeakPolarHBondContact O-CB 3.33Å; C299-S303 PolarHBondContact O-N 3.45Å; C299-S303 PolarHBondContact O-OG 2.85Å; V300-S303 PolarHBondContact O-N 2.83Å; S303-R305 PolarHBondContact O-N 2.85Å; S303-G306 PolarHBondContact O-N 2.99Å; S303-Q307 WeakPolarHBondContact O-CG 3.32Å; S303-Q307 PolarHBondContact O-N 2.95Å
304	W	53.1	Low	56.6	Low	149 Å²	149	110 Å²	110	56%	0.564	54%	0.541	S	S	*	.	H	α-helix	trans	-62.8	-41.4	177.4	-171.9	-98.5	0	0	0	112.8	V300 V302 R308	V300-W304 WeakPolarHBondContact O-CB 3.36Å; V300-W304 PolarHBondContact O-N 2.97Å; V302-W304 VanDerWaalsContact C-N 3.31Å; V302-W304 PolarHBondContact O-N 2.9Å; W304-R308 PolarHBondContact O-N 2.99Å; W304-R308 VanDerWaalsContact O-N 3.07Å
305	R	50	Low	55.2	Low	181 Å²	181	116.9 Å²	116.9	68%	0.683	56%	0.558	S	S	*	*	H	α-helix	trans	-69.6	-35.9	173.5	-77.5	-175.1	173.2	-118.3	1.2	112.6	M301 V302 S303 R308 K309	M301-R305 PolarHBondContact O-N 3.43Å; M301-R305 VanDerWaalsContact O-N 3.12Å; V302-R305 PolarHBondContact O-N 3.04Å; S303-R305 PolarHBondContact O-N 2.85Å; R305-R308 PolarHBondContact O-N 2.9Å; R305-K309 PolarHBondContact O-N 3.38Å
306	G	50.1	Low	54.4	Low	32 Å²	32	120.5 Å²	120.5	33%	0.33	58%	0.578	S	S	.	*	H	α-helix	trans	-65.1	-44.1	175.5	0	0	0	0	0	112.3	V302 S303 K309 R310	V302-G306 PolarHBondContact O-N 3.22Å; S303-G306 PolarHBondContact O-N 2.99Å; G306-K309 PolarHBondContact O-N 3.43Å; G306-R310 WeakPolarHBondContact O-CG 3.49Å; G306-R310 PolarHBondContact O-N 2.93Å; G306-R310 VanDerWaalsContact O-N 3.11Å
307	Q	50.3	Low	53.4	Low	127 Å²	127	121.4 Å²	121.4	59%	0.593	59%	0.588	S	S	*	*	H	α-helix	trans	-58	-52.4	169.6	-76.4	179	-65.5	0	0	110.8	S303 K309 R310 V311	S303-Q307 WeakPolarHBondContact O-CG 3.32Å; S303-Q307 PolarHBondContact O-N 2.95Å; Q307-K309 VanDerWaalsContact C-N 3.32Å; Q307-K309 PolarHBondContact O-N 3.28Å; Q307-R310 CarbonylContact O-C 3.57Å; Q307-R310 WeakPolarHBondContact O-CA 3.36Å; Q307-R310 PolarHBondContact O-N 3.14Å; Q307-V311 WeakPolarHBondContact O-CG2 3.12Å; Q307-V311 PolarHBondContact O-N 3.12Å; Q307-V311 VanDerWaalsContact O-N 3.07Å
308	R	50.3	Low	52.2	Low	179 Å²	179	129.7 Å²	129.7	68%	0.675	61%	0.608	S	S	*	*	H	α-helix	trans	-55.5	-41.1	178.7	-79.2	-171.1	176.8	-161.1	-0.9	113.4	W304 R305 R310 V311	W304-R308 PolarHBondContact O-N 2.99Å; W304-R308 VanDerWaalsContact O-N 3.07Å; R305-R308 PolarHBondContact O-N 2.9Å; R308-R310 VanDerWaalsContact C-N 3.29Å; R308-R310 PolarHBondContact O-N 3.07Å; R308-V311 PolarHBondContact O-N 3.39Å
309	K	50.6	Low	51.6	Low	197 Å²	197	139.4 Å²	139.4	86%	0.857	64%	0.642	S	S	*	*	H	α-helix	trans	-71.9	-18.2	175	-80	-168.4	174.2	-174.8	0	114.1	R305 G306 Q307	R305-K309 PolarHBondContact O-N 3.38Å; G306-K309 PolarHBondContact O-N 3.43Å; Q307-K309 VanDerWaalsContact C-N 3.32Å; Q307-K309 PolarHBondContact O-N 3.28Å
310	R	48.3	Very low	51.1	Low	222 Å²	222	140.6 Å²	140.6	84%	0.838	66%	0.657	S	S	*	*	H	α-helix	trans	-99.2	3.8	175.8	-68.5	-175	-173.7	165.6	6.5	114.3	G306 Q307 R308 G312	G306-R310 WeakPolarHBondContact O-CG 3.49Å; G306-R310 PolarHBondContact O-N 2.93Å; G306-R310 VanDerWaalsContact O-N 3.11Å; Q307-R310 CarbonylContact O-C 3.57Å; Q307-R310 WeakPolarHBondContact O-CA 3.36Å; Q307-R310 PolarHBondContact O-N 3.14Å; R308-R310 VanDerWaalsContact C-N 3.29Å; R308-R310 PolarHBondContact O-N 3.07Å; R310-G312 PolarHBondContact O-N 3.33Å
311	V	45.3	Very low	50.1	Low	111 Å²	111	146.1 Å²	146.1	67%	0.673	67%	0.673	S	S	*	*			trans	-73.8	59.9	162.8	-166.6	0	0	0	0	109.9	Q307 R308 R313	Q307-V311 WeakPolarHBondContact O-CG2 3.12Å; Q307-V311 PolarHBondContact O-N 3.12Å; Q307-V311 VanDerWaalsContact O-N 3.07Å; R308-V311 PolarHBondContact O-N 3.39Å; V311-R313 PolarHBondContact O-N 3.47Å
312	G	46.3	Very low	49.6	Very low	60 Å²	60	152.8 Å²	152.8	62%	0.619	69%	0.692	S	S	*	*			trans	-61.2	124.4	161.2	0	0	0	0	0	107.6	R310 Y314	R310-G312 PolarHBondContact O-N 3.33Å; G312-Y314 PolarHBondContact O-N 2.95Å
313	R	47.8	Very low	49	Very low	237 Å²	237	155 Å²	155	89%	0.894	72%	0.715	S	S	*	*			trans	-37.2	107.5	-170.4	-74.1	177	172.3	162.2	-3.8	112	V311 R315	V311-R313 PolarHBondContact O-N 3.47Å; R313-R315 PolarHBondContact O-N 2.91Å
314	Y	46.5	Very low	48.8	Very low	171 Å²	171	156.9 Å²	156.9	67%	0.671	73%	0.728	S	S	*	*			trans	-70.8	81.6	174.4	-161.5	-116.2	0	0	0	109	G312 T316	G312-Y314 PolarHBondContact O-N 2.95Å; Y314-T316 VanDerWaalsContact C-N 3.29Å; Y314-T316 HydrophobicContact CD1-CG2 3.9Å; Y314-T316 HydrophobicContact CE1-CG2 4.08Å; Y314-T316 PolarHBondContact O-N 2.76Å
315	R	41.8	Very low	48.2	Very low	229 Å²	229	157.8 Å²	157.8	86%	0.864	74%	0.741	S	S	*	*			trans	-67.4	93.8	172.1	-105.7	-172.2	166	-176.5	-3	107.2	R313 S317	R313-R315 PolarHBondContact O-N 2.91Å; R315-S317 PolarHBondContact O-N 2.78Å
316	T	45.2	Very low	48.4	Very low	101 Å²	101	159.8 Å²	159.8	62%	0.62	75%	0.748	S	S	*	*			trans	-59.7	89.3	162.7	44.1	0	0	0	0	108.1	Y314 W318	Y314-T316 VanDerWaalsContact C-N 3.29Å; Y314-T316 HydrophobicContact CD1-CG2 3.9Å; Y314-T316 HydrophobicContact CE1-CG2 4.08Å; Y314-T316 PolarHBondContact O-N 2.76Å; T316-W318 PolarHBondContact O-N 2.82Å
317	S	46	Very low	48.4	Very low	113 Å²	113	165.5 Å²	165.5	79%	0.79	77%	0.77	S	S	*	*			trans	-76.7	55.4	-178.3	62.7	0	0	0	0	111.2	R315 R319	R315-S317 PolarHBondContact O-N 2.78Å; S317-R319 PolarHBondContact O-N 2.81Å
318	W	44.4	Very low	48.6	Very low	228 Å²	228	165.3 Å²	165.3	86%	0.864	77%	0.772	S	S	*	*			trans	-72.1	61.4	175.2	-106.9	70.5	0	0	0	110.8	T316 G320	T316-W318 PolarHBondContact O-N 2.82Å; W318-G320 PolarHBondContact O-N 3.03Å
319	R	54.8	Low	49	Very low	251 Å²	251	165.5 Å²	165.5	95%	0.947	78%	0.778	S	S	*	*			trans	-80.3	71	171.4	-171.9	-167.8	-80.5	-103	6.8	108.9	S317	S317-R319 PolarHBondContact O-N 2.81Å
320	G	52.3	Low	49.2	Very low	42 Å²	42	165 Å²	165	43%	0.433	77%	0.772	S	S	.	*	S	Bend	trans	-167	119.8	179.7	0	0	0	0	0	114.2	W318	W318-G320 PolarHBondContact O-N 3.03Å
321	K	46.3	Very low	49.3	Very low	209 Å²	209	159.6 Å²	159.6	91%	0.909	76%	0.763	S	S	*	*			trans	51.5	112.1	170.5	-67.6	-176.2	176.2	179.7	0	117.4	A323	K321-A323 PolarHBondContact O-N 2.97Å
322	R	52.2	Low	49.6	Very low	260 Å²	260	162.3 Å²	162.3	98%	0.981	77%	0.773	S	S	*	*			trans	-61.9	96.3	160.3	-70.7	176.5	174.5	166.3	-3.7	109.9
323	A	47.4	Very low	49.8	Very low	90 Å²	90	165.3 Å²	165.3	74%	0.744	78%	0.779	S	S	*	*			trans	-80.7	137.7	161.8	0	0	0	0	0	109.3	K321 M325	K321-A323 PolarHBondContact O-N 2.97Å; A323-M325 PolarHBondContact O-N 2.98Å
324	S	55.3	Low	50.2	Low	105 Å²	105	161.9 Å²	161.9	73%	0.734	77%	0.77	S	S	*	*			trans	-70.5	115.6	-179.3	-179.7	0	0	0	0	110.8	R326	S324-R326 PolarHBondContact O-N 3.26Å
325	M	42.2	Very low	50.4	Low	169 Å²	169	161.9 Å²	161.9	83%	0.833	78%	0.777	S	S	*	*			trans	-70.6	90	169.7	-76.6	176.2	58.5	0	0	110.1	A323 L327	A323-M325 PolarHBondContact O-N 2.98Å; M325-L327 PolarHBondContact O-N 3.36Å
326	R	53.5	Low	50.5	Low	222 Å²	222	156.5 Å²	156.5	84%	0.838	77%	0.765	S	S	*	*			trans	-76	109.5	165.1	-67.2	-174.8	176.2	-170.1	-1.8	108.6	S324 I328	S324-R326 PolarHBondContact O-N 3.26Å; R326-I328 PolarHBondContact O-N 3.22Å
327	L	49.2	Very low	50.5	Low	153 Å²	153	166.2 Å²	166.2	80%	0.801	79%	0.793	S	S	*	*			trans	-64.1	118.9	169.2	-93.1	72.8	0	0	0	109.1	M325 K329	M325-L327 PolarHBondContact O-N 3.36Å; L327-K329 PolarHBondContact O-N 3.25Å
328	I	55.2	Low	50.7	Low	122 Å²	122	168.9 Å²	168.9	63%	0.626	79%	0.793	S	S	*	*			trans	-79.3	103.1	168.1	-59.1	177.3	0	0	0	107.1	R326 Y330	R326-I328 PolarHBondContact O-N 3.22Å; I328-Y330 HydrophobicContact CB-CE2 4.12Å; I328-Y330 HydrophobicContact CG2-CD1 4.45Å; I328-Y330 HydrophobicContact CG2-CD2 4.24Å; I328-Y330 HydrophobicContact CG2-CE1 3.97Å; I328-Y330 HydrophobicContact CG2-CE2 3.74Å; I328-Y330 WeakPolarHBondContact O-CD2 3.46Å; I328-Y330 PolarHBondContact O-N 3.25Å
329	K	57.8	Low	51	Low	184 Å²	184	165.8 Å²	165.8	80%	0.8	79%	0.789	S	S	*	*			trans	-78.3	98.4	174.7	-177.4	-176.6	178	-177.6	0	109.2	L327	L327-K329 PolarHBondContact O-N 3.25Å
330	Y	55	Low	50.8	Low	186 Å²	186	161.1 Å²	161.1	73%	0.729	78%	0.78	S	S	*	*			trans	-70.2	130.8	167	-61.8	-81.7	0	0	0	109.7	I328	I328-Y330 HydrophobicContact CB-CE2 4.12Å; I328-Y330 HydrophobicContact CG2-CD1 4.45Å; I328-Y330 HydrophobicContact CG2-CD2 4.24Å; I328-Y330 HydrophobicContact CG2-CE1 3.97Å; I328-Y330 HydrophobicContact CG2-CE2 3.74Å; I328-Y330 WeakPolarHBondContact O-CD2 3.46Å; I328-Y330 PolarHBondContact O-N 3.25Å
331	V	51.1	Low	50.7	Low	109 Å²	109	168.1 Å²	168.1	66%	0.661	80%	0.801	S	S	*	*			trans	-102.6	118.6	169.5	175.3	0	0	0	0	106.9	V333	V331-V333 PolarHBondContact O-N 3.24Å
332	L	52.6	Low	51	Low	168 Å²	168	165.5 Å²	165.5	88%	0.88	79%	0.794	S	S	*	*			trans	-75.5	106.1	172.2	-69.1	170	0	0	0	108.3	K334	L332-K334 PolarHBondContact O-N 3.41Å
333	V	50.3	Low	51	Low	122 Å²	122	159.2 Å²	159.2	74%	0.739	78%	0.781	S	S	*	*			trans	-73.2	116.5	167.4	177.3	0	0	0	0	107.3	V331 E335	V331-V333 PolarHBondContact O-N 3.24Å; V333-E335 PolarHBondContact O-N 3.38Å
334	K	55.6	Low	51.2	Low	165 Å²	165	164.1 Å²	164.1	72%	0.717	78%	0.784	S	S	*	*			trans	-84.2	103	171.4	-174.1	-166.4	179.8	-145	0	108.5	L332 N336	L332-K334 PolarHBondContact O-N 3.41Å; K334-N336 VanDerWaalsContact CE-OD1 3.28Å; K334-N336 WeakPolarHBondContact CE-OD1 3.28Å; K334-N336 PolarHBondContact NZ-OD1 2.81Å
335	E	49.5	Very low	50.9	Low	171 Å²	171	168.7 Å²	168.7	80%	0.799	79%	0.788	S	S	*	*			trans	-66.1	135.1	161.4	-65	-177.4	141.9	0	0	108.6	V333	V333-E335 PolarHBondContact O-N 3.38Å
336	N	44.9	Very low	51.6	Low	117 Å²	117	168.7 Å²	168.7	63%	0.626	78%	0.784	S	S	*	*			trans	-105.5	134.3	170.3	-65.3	-52.7	0	0	0	108.3	K334	K334-N336 VanDerWaalsContact CE-OD1 3.28Å; K334-N336 WeakPolarHBondContact CE-OD1 3.28Å; K334-N336 PolarHBondContact NZ-OD1 2.81Å
337	Y	44.8	Very low	51.4	Low	305 Å²	305	163.8 Å²	163.8	100%	1.196	78%	0.779	S	S	*	*			trans	-137.4	0	160	-98.3	-80.3	0	0	0	107.3

Retrieved 337 of 337 residues in 43.7 ms (Link to these results)

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