A0A5K4F323_SCHMA Loading...

FHA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F323, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	72.2	Confident	91.2	Very high	146 Å²	146	44.4 Å²	44.4	72%	0.719	21%	0.212	S	C	*	.				0	125.2	0	-82.4	169.7	167.2	0	0	107	P39 S144	M1-P39 HydrophobicContact CB-CB 3.99Å; M1-P39 VanDerWaalsContact SD-O 3.37Å; M1-S144 PolarHBondContact N-OG 2.96Å; M1-S144 PolarHBondContact O-OG 3.05Å; M1-S144 VanDerWaalsContact O-OG 3.06Å
2	S	84.4	Confident	90.8	Very high	24 Å²	24	41.5 Å²	41.5	17%	0.168	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	139.5	-178.3	53.8	0	0	0	0	112	R77 S142 D143	S2-R77 PolarHBondContact O-NH1 2.87Å; S2-R77 PolarHBondContact O-NH2 3.45Å; S2-S142 CarbonylContact C-O 3.59Å; S2-S142 WeakPolarHBondContact CA-O 3.45Å; S2-D143 WeakPolarHBondContact CA-OD1 3.4Å; S2-D143 WeakPolarHBondContact CB-OD1 3.25Å
3	T	91.3	Very high	90.3	Very high	15 Å²	15	46.6 Å²	46.6	9%	0.092	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	137.7	166.6	-49.1	0	0	0	0	108.3	E36 P39 S142	T3-E36 HydrophobicContact CG2-CG 3.77Å; T3-E36 VanDerWaalsContact CG2-OE1 3.27Å; T3-E36 WeakPolarHBondContact CG2-OE1 3.26Å; T3-P39 WeakPolarHBondContact OG1-CG 3.39Å; T3-S142 PolarHBondContact N-O 3.26Å; T3-S142 PolarHBondContact O-N 3.41Å
4	V	94.6	Very high	89.8	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.5	174	-175.9	0	0	0	0	108.3	E36 L37 S83 L106 V139 L141	V4-E36 WeakPolarHBondContact O-CA 3.3Å; V4-L37 HydrophobicContact CB-CB 4.34Å; V4-L37 PolarHBondContact N-O 2.79Å; V4-L37 PolarHBondContact O-N 2.91Å; V4-S83 VanDerWaalsContact CG2-OG 3.29Å; V4-S83 WeakPolarHBondContact CG2-OG 3.5Å; V4-L106 HydrophobicContact CG1-CD1 4.14Å; V4-V139 HydrophobicContact CG1-CG1 4.22Å; V4-L141 HydrophobicContact CB-CD2 4.16Å; V4-L141 HydrophobicContact CG1-CD2 3.86Å; V4-L141 HydrophobicContact CG2-CD2 3.58Å
5	T	96.6	Very high	89.3	Confident	6 Å²	6	48.1 Å²	48.1	4%	0.037	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.7	174.3	-76	0	0	0	0	109	R7 K34 I35 V139 E140	T5-R7 HydrophobicContact CG2-CB 4.32Å; T5-K34 HydrophobicContact CG2-CD 4.26Å; T5-K34 HydrophobicContact CG2-CG 3.6Å; T5-K34 WeakPolarHBondContact OG1-CE 3.49Å; T5-I35 CarbonylContact C-O 3.56Å; T5-I35 VanDerWaalsContact CA-O 3.3Å; T5-I35 WeakPolarHBondContact CA-O 3.47Å; T5-V139 CarbonylContact O-C 3.48Å; T5-V139 WeakPolarHBondContact O-CA 3.47Å; T5-E140 HydrophobicContact CG2-CB 4.48Å; T5-E140 PolarHBondContact N-O 3.4Å; T5-E140 PolarHBondContact O-N 3.32Å
6	L	97.6	Very high	88.3	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	112.7	156.3	-47.7	-174.6	0	0	0	107.3	K34 I35 I46 I75 L106 V112 F114 Y137 R138 V139	L6-K34 WeakPolarHBondContact O-CA 3.17Å; L6-I35 HydrophobicContact CB-CB 4.14Å; L6-I35 HydrophobicContact CG-CB 4.48Å; L6-I35 PolarHBondContact N-O 2.86Å; L6-I35 PolarHBondContact O-N 2.83Å; L6-I46 HydrophobicContact CD1-CD1 4.43Å; L6-I75 HydrophobicContact CD1-CD1 3.88Å; L6-I75 HydrophobicContact CD2-CD1 4.45Å; L6-I75 HydrophobicContact CG-CD1 4.17Å; L6-L106 HydrophobicContact CD2-CD1 4.37Å; L6-V112 HydrophobicContact CD1-CB 4.49Å; L6-V112 HydrophobicContact CD1-CG1 4.34Å; L6-V112 HydrophobicContact CD2-CG2 4.12Å; L6-F114 HydrophobicContact CD1-CE2 3.93Å; L6-F114 HydrophobicContact CD1-CZ 3.65Å; L6-Y137 HydrophobicContact CB-CD1 3.88Å; L6-Y137 HydrophobicContact CB-CG 4.08Å; L6-R138 WeakPolarHBondContact CA-O 3.39Å; L6-V139 HydrophobicContact CD2-CB 4.41Å; L6-V139 HydrophobicContact CD2-CG2 3.67Å
7	R	97	Very high	87.2	Confident	114 Å²	114	63.2 Å²	63.2	43%	0.43	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.9	174.2	-171.4	176.7	-57.6	-85.4	-4.3	109	T5 Y137 R138 E140	T5-R7 HydrophobicContact CG2-CB 4.32Å; R7-Y137 CarbonylContact O-C 3.5Å; R7-Y137 WeakPolarHBondContact O-CA 3.39Å; R7-Y137 WeakPolarHBondContact O-CB 3.47Å; R7-R138 PolarHBondContact N-O 3.05Å; R7-R138 PolarHBondContact O-N 2.83Å; R7-E140 WeakPolarHBondContact CD-OE1 3.17Å; R7-E140 IonicContact CZ-OE1 3.32Å; R7-E140 IonicContact CZ-OE2 2.72Å; R7-E140 VanDerWaalsContact NE-CD 3.27Å; R7-E140 IonicContact NE-OE1 3.12Å; R7-E140 PolarHBondContact NE-OE1 3.44Å; R7-E140 IonicContact NE-OE2 2.95Å; R7-E140 PolarHBondContact NE-OE2 2.85Å; R7-E140 VanDerWaalsContact NE-OE2 3.12Å; R7-E140 IonicContact NH2-OE1 2.69Å; R7-E140 IonicContact NH2-OE2 3.42Å; R7-E140 PolarHBondContact NH2-OE2 3.17Å
8	W	96.1	Very high	85.7	Confident	85 Å²	85	62.3 Å²	62.3	32%	0.322	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	136.2	179.7	-179.8	77.2	0	0	0	111.5	G10 K33 D134 Y137	W8-G10 VanDerWaalsContact CE2-N 3.29Å; W8-K33 PolarHBondContact N-O 3.11Å; W8-D134 PolarHBondContact NE1-O 2.99Å; W8-Y137 HydrophobicContact CB-CD1 4Å; W8-Y137 HydrophobicContact CB-CE1 3.82Å; W8-Y137 AromaticContact CD1-CZ 3.94Å; W8-Y137 HydrophobicContact CG-CE1 4.38Å
9	I	94.7	Very high	84.1	Confident	60 Å²	60	65.8 Å²	65.8	31%	0.308	30%	0.304	S	S	.	.			trans	-140.6	26.1	179.5	62	155.8	0	0	0	111.8	I111 K136 R138	I9-I111 HydrophobicContact CD1-CD1 3.9Å; I9-K136 HydrophobicContact CD1-CD 4.31Å; I9-K136 HydrophobicContact CD1-CG 4.07Å; I9-K136 HydrophobicContact CG1-CB 4.49Å; I9-K136 HydrophobicContact CG1-CG 4.01Å; I9-K136 PolarHBondContact N-O 2.73Å; I9-R138 HydrophobicContact CD1-CB 4.28Å; I9-R138 HydrophobicContact CG2-CB 4.14Å
10	G	88	Confident	82.5	Confident	11 Å²	11	67.3 Å²	67.3	11%	0.113	33%	0.328	C	S	.	.			trans	-51.4	136.5	-169.4	0	0	0	0	0	113.9	W8 S133 K136	W8-G10 VanDerWaalsContact CE2-N 3.29Å; G10-S133 WeakPolarHBondContact CA-O 3.32Å; G10-K136 PolarHBondContact N-O 2.97Å
11	D	90.3	Very high	80.8	Confident	23 Å²	23	66.3 Å²	66.3	12%	0.123	34%	0.335	C	S	.	.			trans	-126	20	-167.5	62.2	-10.3	0	0	0	113.8	D13 Q14 Y132 S133 K136	D11-D13 WeakPolarHBondContact CA-OD1 3.38Å; D11-D13 PolarHBondContact O-N 3.03Å; D11-Q14 WeakPolarHBondContact O-CB 3.43Å; D11-Q14 PolarHBondContact O-N 3.46Å; D11-Q14 VanDerWaalsContact O-N 3.12Å; D11-Y132 HydrophobicContact CB-CD1 4.29Å; D11-Y132 VanDerWaalsContact O-CD1 3.23Å; D11-Y132 WeakPolarHBondContact O-CD1 3.08Å; D11-Y132 WeakPolarHBondContact OD1-CA 3.5Å; D11-S133 PolarHBondContact N-O 2.85Å; D11-S133 VanDerWaalsContact N-O 3.16Å; D11-S133 PolarHBondContact OD1-N 3Å; D11-K136 WeakPolarHBondContact OD1-CE 3.43Å; D11-K136 IonicContact OD1-NZ 2.78Å; D11-K136 PolarHBondContact OD1-NZ 3.06Å; D11-K136 IonicContact OD2-NZ 2.94Å; D11-K136 PolarHBondContact OD2-NZ 2.86Å
12	L	86.6	Confident	79.6	Confident	10 Å²	10	63.6 Å²	63.6	5%	0.052	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-62.9	-28.3	178.8	-168.8	66.9	0	0	0	113.2	Q14 D15 E18 C62 I63 D134	L12-Q14 PolarHBondContact O-N 2.76Å; L12-D15 WeakPolarHBondContact O-CB 3.27Å; L12-D15 PolarHBondContact O-N 2.84Å; L12-E18 HydrophobicContact CD1-CG 3.82Å; L12-E18 HydrophobicContact CG-CG 4.04Å; L12-C62 WeakPolarHBondContact CD2-SG 3.28Å; L12-I63 HydrophobicContact CD1-CD1 3.76Å; L12-I63 HydrophobicContact CD1-CG1 4Å; L12-I63 HydrophobicContact CD2-CD1 4.08Å; L12-I63 HydrophobicContact CD2-CG1 3.53Å; L12-I63 HydrophobicContact CG-CG1 4.43Å; L12-D134 HydrophobicContact CB-CB 4.13Å; L12-D134 HydrophobicContact CD2-CB 4.01Å
13	D	83.9	Confident	78.1	Confident	108 Å²	108	66.9 Å²	66.9	58%	0.578	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-61.5	-20.6	174.6	65.2	-47.1	0	0	0	113.3	D11 Q19	D11-D13 WeakPolarHBondContact CA-OD1 3.38Å; D11-D13 PolarHBondContact O-N 3.03Å; D13-Q19 PolarHBondContact O-NE2 2.72Å
14	Q	84.4	Confident	76.3	Confident	107 Å²	107	67.9 Å²	67.9	50%	0.5	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-84.2	-10.6	176.7	-57.2	174.3	38.5	0	0	112.6	D11 L12 K16 Y132	D11-Q14 WeakPolarHBondContact O-CB 3.43Å; D11-Q14 PolarHBondContact O-N 3.46Å; D11-Q14 VanDerWaalsContact O-N 3.12Å; L12-Q14 PolarHBondContact O-N 2.76Å; Q14-K16 PolarHBondContact O-N 3.39Å; Q14-Y132 HydrophobicContact CB-CD1 3.94Å; Q14-Y132 HydrophobicContact CB-CE1 3.6Å
15	D	82	Confident	74.4	Confident	9 Å²	9	72.5 Å²	72.5	5%	0.048	39%	0.388	C	S	.	.			trans	-77	108.4	174.6	-160.2	-37.3	0	0	0	110.9	L12 R17 E18 Q19 Y132	L12-D15 WeakPolarHBondContact O-CB 3.27Å; L12-D15 PolarHBondContact O-N 2.84Å; D15-R17 PolarHBondContact O-N 3.05Å; D15-R17 VanDerWaalsContact OD1-CB 3.23Å; D15-R17 WeakPolarHBondContact OD1-CB 3.18Å; D15-R17 WeakPolarHBondContact OD1-CG 3.47Å; D15-R17 IonicContact OD1-CZ 3.86Å; D15-R17 PolarHBondContact OD1-N 2.74Å; D15-R17 IonicContact OD1-NE 3.83Å; D15-R17 PolarHBondContact OD1-NE 2.65Å; D15-R17 IonicContact OD1-NH2 3.63Å; D15-R17 IonicContact OD2-CZ 2.66Å; D15-R17 IonicContact OD2-NE 3.72Å; D15-R17 PolarHBondContact OD2-NE 3.43Å; D15-R17 IonicContact OD2-NH2 3.83Å; D15-R17 PolarHBondContact OD2-NH2 3.4Å; D15-E18 HydrophobicContact CB-CB 4.34Å; D15-E18 HydrophobicContact CB-CG 3.85Å; D15-E18 PolarHBondContact O-N 2.97Å; D15-Q19 PolarHBondContact O-N 2.69Å; D15-Y132 HydrophobicContact CB-CD2 3.54Å; D15-Y132 HydrophobicContact CB-CE2 4.17Å; D15-Y132 HydrophobicContact CB-CG 4.01Å; D15-Y132 WeakPolarHBondContact OD2-CD2 3.49Å
16	K	72.6	Confident	72.4	Confident	176 Å²	176	73.1 Å²	73.1	77%	0.765	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-12.8	178.4	-60.8	-175.3	-179.7	-177	0	114	Q14	Q14-K16 PolarHBondContact O-N 3.39Å
17	R	69.5	Low	70.8	Confident	176 Å²	176	75.6 Å²	75.6	66%	0.664	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-45.9	173.4	-59.1	172.8	-70.8	-176.7	-0.5	111.3	D15 Q19 A20	D15-R17 PolarHBondContact O-N 3.05Å; D15-R17 VanDerWaalsContact OD1-CB 3.23Å; D15-R17 WeakPolarHBondContact OD1-CB 3.18Å; D15-R17 WeakPolarHBondContact OD1-CG 3.47Å; D15-R17 IonicContact OD1-CZ 3.86Å; D15-R17 PolarHBondContact OD1-N 2.74Å; D15-R17 IonicContact OD1-NE 3.83Å; D15-R17 PolarHBondContact OD1-NE 2.65Å; D15-R17 IonicContact OD1-NH2 3.63Å; D15-R17 IonicContact OD2-CZ 2.66Å; D15-R17 IonicContact OD2-NE 3.72Å; D15-R17 PolarHBondContact OD2-NE 3.43Å; D15-R17 IonicContact OD2-NH2 3.83Å; D15-R17 PolarHBondContact OD2-NH2 3.4Å; R17-Q19 VanDerWaalsContact C-N 3.29Å; R17-Q19 PolarHBondContact O-N 3.12Å; R17-A20 WeakPolarHBondContact O-CB 3.06Å; R17-A20 PolarHBondContact O-N 2.89Å; R17-A20 VanDerWaalsContact O-N 3.17Å
18	E	60.7	Low	69.8	Low	47 Å²	47	75.1 Å²	75.1	22%	0.22	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-69.8	-28.8	-179.4	-55.2	-65.7	124.6	0	0	111.6	L12 D15 A20 G21 V23	L12-E18 HydrophobicContact CD1-CG 3.82Å; L12-E18 HydrophobicContact CG-CG 4.04Å; D15-E18 HydrophobicContact CB-CB 4.34Å; D15-E18 HydrophobicContact CB-CG 3.85Å; D15-E18 PolarHBondContact O-N 2.97Å; E18-A20 PolarHBondContact O-N 2.78Å; E18-A20 VanDerWaalsContact O-N 3.12Å; E18-G21 PolarHBondContact O-N 2.74Å; E18-G21 VanDerWaalsContact O-N 3.08Å; E18-V23 HydrophobicContact CB-CG1 4.43Å
19	Q	54.9	Low	69.1	Low	130 Å²	130	76.9 Å²	76.9	61%	0.607	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-59.5	-17.8	171.9	-69.1	179.1	3.6	0	0	113.9	D13 D15 R17	D13-Q19 PolarHBondContact O-NE2 2.72Å; D15-Q19 PolarHBondContact O-N 2.69Å; R17-Q19 VanDerWaalsContact C-N 3.29Å; R17-Q19 PolarHBondContact O-N 3.12Å
20	A	52.2	Low	68.6	Low	95 Å²	95	76.5 Å²	76.5	79%	0.785	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-82	-11.9	176.7	0	0	0	0	0	113.8	R17 E18	R17-A20 WeakPolarHBondContact O-CB 3.06Å; R17-A20 PolarHBondContact O-N 2.89Å; R17-A20 VanDerWaalsContact O-N 3.17Å; E18-A20 PolarHBondContact O-N 2.78Å; E18-A20 VanDerWaalsContact O-N 3.12Å
21	G	48.3	Very low	68.6	Low	47 Å²	47	77.7 Å²	77.7	49%	0.485	42%	0.424	S	S	.	.	S	Bend	trans	146.7	157.1	174.9	0	0	0	0	0	113.6	E18	E18-G21 PolarHBondContact O-N 2.74Å; E18-G21 VanDerWaalsContact O-N 3.08Å
22	C	46.6	Very low	68.6	Low	88 Å²	88	77.8 Å²	77.8	60%	0.595	43%	0.426	S	S	*	.			trans	71	41.4	176.6	-151.9	0	0	0	0	117.3	S24	C22-S24 PolarHBondContact O-N 3.03Å
23	V	52.9	Low	68.9	Low	93 Å²	93	84 Å²	84	56%	0.564	45%	0.453	S	S	*	.			trans	-67.7	81.1	144.6	-79.5	0	0	0	0	108.9	E18	E18-V23 HydrophobicContact CB-CG1 4.43Å
24	S	53.3	Low	69.4	Low	36 Å²	36	82.8 Å²	82.8	25%	0.252	44%	0.443	S	S	.	.			trans	-56.8	142.2	180	74.7	0	0	0	0	110.5	C22 S26 C62	C22-S24 PolarHBondContact O-N 3.03Å; S24-S26 PolarHBondContact O-N 3.29Å; S24-C62 WeakPolarHBondContact O-CB 3.5Å; S24-C62 PolarHBondContact OG-O 2.73Å
25	S	53.5	Low	69.9	Low	100 Å²	100	77.7 Å²	77.7	70%	0.699	42%	0.419	S	S	*	.			trans	-79.6	61	-173.8	65.1	0	0	0	0	113	S27	S25-S27 PolarHBondContact O-N 3.42Å
26	S	56.2	Low	70.6	Confident	19 Å²	19	79.3 Å²	79.3	13%	0.133	43%	0.426	C	S	.	.			trans	-54.3	115.2	162.3	66.7	0	0	0	0	107.8	S24 D28 R31 C62	S24-S26 PolarHBondContact O-N 3.29Å; S26-D28 PolarHBondContact O-N 3.29Å; S26-R31 PolarHBondContact OG-NH2 2.88Å; S26-C62 WeakPolarHBondContact OG-CB 3.43Å
27	S	63.9	Low	71.6	Confident	54 Å²	54	71 Å²	71	38%	0.378	39%	0.39	S	S	.	.			trans	-57.7	133.3	-173	179.5	0	0	0	0	110.7	S25 Q29 Y30	S25-S27 PolarHBondContact O-N 3.42Å; S27-Q29 PolarHBondContact O-N 2.81Å; S27-Q29 VanDerWaalsContact OG-CD 3.26Å; S27-Q29 WeakPolarHBondContact OG-CG 3.3Å; S27-Q29 PolarHBondContact OG-OE1 3.1Å; S27-Y30 PolarHBondContact O-N 2.93Å
28	D	75	Confident	72.7	Confident	103 Å²	103	67.8 Å²	67.8	55%	0.551	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-52	-21	178.4	-83.2	-20.6	0	0	0	113.2	S26 Y30 R31	S26-D28 PolarHBondContact O-N 3.29Å; D28-Y30 PolarHBondContact O-N 3.07Å; D28-R31 CarbonylContact O-C 3.48Å; D28-R31 PolarHBondContact O-N 2.82Å; D28-R31 IonicContact OD1-NH1 3.31Å
29	Q	80.6	Confident	74	Confident	123 Å²	123	67.7 Å²	67.7	58%	0.575	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-56	-25.8	171.7	80.7	-161.8	47.3	0	0	113.8	S27	S27-Q29 PolarHBondContact O-N 2.81Å; S27-Q29 VanDerWaalsContact OG-CD 3.26Å; S27-Q29 WeakPolarHBondContact OG-CG 3.3Å; S27-Q29 PolarHBondContact OG-OE1 3.1Å
30	Y	85.7	Confident	75.5	Confident	51 Å²	51	65.1 Å²	65.1	20%	0.2	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-106.3	13.5	177	-54.8	-43.9	0	0	0	112.9	S27 D28 P32 I49 P58 I59 E60	S27-Y30 PolarHBondContact O-N 2.93Å; D28-Y30 PolarHBondContact O-N 3.07Å; Y30-P32 VanDerWaalsContact C-CD 3.43Å; Y30-I49 HydrophobicContact CE1-CD1 4.48Å; Y30-P58 HydrophobicContact CD1-CB 4.34Å; Y30-I59 VanDerWaalsContact O-CA 3.25Å; Y30-I59 WeakPolarHBondContact O-CA 3.39Å; Y30-E60 HydrophobicContact CD2-CB 4.27Å; Y30-E60 HydrophobicContact CD2-CG 3.86Å; Y30-E60 VanDerWaalsContact CD2-OE2 3.26Å; Y30-E60 WeakPolarHBondContact CD2-OE2 3.29Å; Y30-E60 HydrophobicContact CG-CB 4.39Å; Y30-E60 HydrophobicContact CG-CG 4.01Å; Y30-E60 PolarHBondContact O-N 2.82Å
31	R	87.4	Confident	77.3	Confident	36 Å²	36	63 Å²	63	14%	0.136	37%	0.366	C	S	.	.	S	Bend	trans	-123.4	66.8	169.7	-167.1	179.5	-69.3	137.4	-5.7	109	S26 D28 K33 C62 D134 L135	S26-R31 PolarHBondContact OG-NH2 2.88Å; D28-R31 CarbonylContact O-C 3.48Å; D28-R31 PolarHBondContact O-N 2.82Å; D28-R31 IonicContact OD1-NH1 3.31Å; R31-K33 PolarHBondContact O-N 2.92Å; R31-K33 VanDerWaalsContact O-N 3.1Å; R31-C62 PolarHBondContact NH2-SG 2.84Å; R31-D134 WeakPolarHBondContact CD-O 3.49Å; R31-D134 IonicContact CZ-OD2 3.64Å; R31-D134 PolarHBondContact NE-O 2.92Å; R31-D134 IonicContact NE-OD2 2.72Å; R31-D134 PolarHBondContact NE-OD2 2.8Å; R31-D134 IonicContact NH2-OD2 3.72Å; R31-D134 PolarHBondContact NH2-OD2 3.43Å; R31-L135 HydrophobicContact CG-CD2 4.37Å
32	P	90.2	Very high	79.5	Confident	26 Å²	26	69.2 Å²	69.2	17%	0.169	38%	0.38	C	S	.	.			trans	-61.5	115.3	-170.2	25.4	-35.2	0	0	0	111.2	Y30 K34 I35 Y57 I59 Y137	Y30-P32 VanDerWaalsContact C-CD 3.43Å; P32-K34 PolarHBondContact O-N 3.3Å; P32-I35 HydrophobicContact CB-CG1 4.35Å; P32-I35 HydrophobicContact CG-CD1 4.07Å; P32-I35 HydrophobicContact CG-CG1 3.8Å; P32-Y57 HydrophobicContact CB-CD1 4.44Å; P32-Y57 HydrophobicContact CG-CD1 4.43Å; P32-I59 HydrophobicContact CG-CG2 3.82Å; P32-Y137 WeakPolarHBondContact O-CE1 3.34Å
33	K	92.6	Very high	81.8	Confident	141 Å²	141	69.5 Å²	69.5	61%	0.613	37%	0.372	S	S	*	.	S	Bend	trans	-59.3	-16.6	-176.5	-63.3	-177.5	-179.4	179.4	0	114.1	W8 R31	W8-K33 PolarHBondContact N-O 3.11Å; R31-K33 PolarHBondContact O-N 2.92Å; R31-K33 VanDerWaalsContact O-N 3.1Å
34	K	94.3	Very high	83.9	Confident	82 Å²	82	65.1 Å²	65.1	36%	0.357	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	124.3	173.6	-166.4	-165.8	-177.5	-166.6	0	110	T5 L6 P32 E36	T5-K34 HydrophobicContact CG2-CD 4.26Å; T5-K34 HydrophobicContact CG2-CG 3.6Å; T5-K34 WeakPolarHBondContact OG1-CE 3.49Å; L6-K34 WeakPolarHBondContact O-CA 3.17Å; P32-K34 PolarHBondContact O-N 3.3Å; K34-E36 WeakPolarHBondContact CE-OE1 3.2Å; K34-E36 WeakPolarHBondContact CE-OE2 3.45Å; K34-E36 IonicContact NZ-OE1 2.65Å; K34-E36 PolarHBondContact NZ-OE1 3.11Å; K34-E36 IonicContact NZ-OE2 2.74Å; K34-E36 PolarHBondContact NZ-OE2 3.04Å
35	I	96.2	Very high	86	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.9	165.1	-63	174.8	0	0	0	106.9	T5 L6 P32 I44 I46 Y57 I59 F114 Y137	T5-I35 CarbonylContact C-O 3.56Å; T5-I35 VanDerWaalsContact CA-O 3.3Å; T5-I35 WeakPolarHBondContact CA-O 3.47Å; L6-I35 HydrophobicContact CB-CB 4.14Å; L6-I35 HydrophobicContact CG-CB 4.48Å; L6-I35 PolarHBondContact N-O 2.86Å; L6-I35 PolarHBondContact O-N 2.83Å; P32-I35 HydrophobicContact CB-CG1 4.35Å; P32-I35 HydrophobicContact CG-CD1 4.07Å; P32-I35 HydrophobicContact CG-CG1 3.8Å; I35-I44 HydrophobicContact CG2-CD1 3.64Å; I35-I46 HydrophobicContact CD1-CD1 4.35Å; I35-I46 HydrophobicContact CD1-CG2 4.47Å; I35-I46 HydrophobicContact CG2-CD1 3.99Å; I35-I46 HydrophobicContact CG2-CG1 4.44Å; I35-Y57 HydrophobicContact CB-CD1 4.18Å; I35-Y57 HydrophobicContact CB-CE1 4.28Å; I35-Y57 HydrophobicContact CB-CG 4.34Å; I35-Y57 HydrophobicContact CG1-CD1 3.79Å; I35-Y57 HydrophobicContact CG1-CE1 4.28Å; I35-Y57 HydrophobicContact CG1-CG 4.06Å; I35-Y57 HydrophobicContact CG2-CD1 4.14Å; I35-Y57 HydrophobicContact CG2-CD2 3.72Å; I35-Y57 HydrophobicContact CG2-CE1 4.33Å; I35-Y57 HydrophobicContact CG2-CE2 3.91Å; I35-Y57 HydrophobicContact CG2-CG 3.83Å; I35-I59 HydrophobicContact CD1-CG2 4.41Å; I35-F114 HydrophobicContact CD1-CE2 4.38Å; I35-Y137 HydrophobicContact CD1-CE1 3.87Å; I35-Y137 HydrophobicContact CG1-CE1 4.18Å
36	E	95.6	Very high	88.1	Confident	42 Å²	42	62.7 Å²	62.7	20%	0.196	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	121.4	-170.1	179.8	168.7	-129.8	0	0	113.7	T3 V4 K34 K38 Y57	T3-E36 HydrophobicContact CG2-CG 3.77Å; T3-E36 VanDerWaalsContact CG2-OE1 3.27Å; T3-E36 WeakPolarHBondContact CG2-OE1 3.26Å; V4-E36 WeakPolarHBondContact O-CA 3.3Å; K34-E36 WeakPolarHBondContact CE-OE1 3.2Å; K34-E36 WeakPolarHBondContact CE-OE2 3.45Å; K34-E36 IonicContact NZ-OE1 2.65Å; K34-E36 PolarHBondContact NZ-OE1 3.11Å; K34-E36 IonicContact NZ-OE2 2.74Å; K34-E36 PolarHBondContact NZ-OE2 3.04Å; E36-K38 HydrophobicContact CG-CG 4.04Å; E36-K38 PolarHBondContact O-N 2.84Å; E36-Y57 PolarHBondContact N-OH 2.88Å; E36-Y57 VanDerWaalsContact N-OH 3.07Å; E36-Y57 PolarHBondContact O-OH 3.3Å
37	L	94.9	Very high	90	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	94	168	-180	62.4	0	0	0	108.6	V4 Q41 I44 I75 R77	V4-L37 HydrophobicContact CB-CB 4.34Å; V4-L37 PolarHBondContact N-O 2.79Å; V4-L37 PolarHBondContact O-N 2.91Å; L37-Q41 HydrophobicContact CD1-CB 3.77Å; L37-I44 HydrophobicContact CB-CD1 4.05Å; L37-I44 HydrophobicContact CB-CG1 4.24Å; L37-I44 HydrophobicContact CD1-CG1 4.23Å; L37-I44 HydrophobicContact CD1-CG2 3.99Å; L37-I75 HydrophobicContact CD2-CG2 3.85Å; L37-R77 HydrophobicContact CD2-CG 3.84Å; L37-R77 HydrophobicContact CG-CG 4.34Å; L37-R77 PolarHBondContact O-NH2 3.37Å
38	K	92	Very high	91.5	Very high	109 Å²	109	62.5 Å²	62.5	47%	0.474	30%	0.304	S	S	.	.			trans	-63.9	156.4	-175.8	-61	169.9	-172	168.4	0	111.4	E36 G40 Q41 R77	E36-K38 HydrophobicContact CG-CG 4.04Å; E36-K38 PolarHBondContact O-N 2.84Å; K38-G40 PolarHBondContact O-N 2.81Å; K38-Q41 HydrophobicContact CB-CG 4.37Å; K38-Q41 VanDerWaalsContact N-OE1 3.16Å; K38-Q41 PolarHBondContact O-N 3.28Å; K38-R77 VanDerWaalsContact C-NH2 3.27Å; K38-R77 PolarHBondContact O-NH2 3.3Å
39	P	87.2	Confident	92.3	Very high	46 Å²	46	61.8 Å²	61.8	30%	0.299	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-38	-175.5	-34.5	38.2	0	0	0	116.3	M1 T3 R77	M1-P39 HydrophobicContact CB-CB 3.99Å; M1-P39 VanDerWaalsContact SD-O 3.37Å; T3-P39 WeakPolarHBondContact OG1-CG 3.39Å; P39-R77 PolarHBondContact O-NE 2.78Å
40	G	86.5	Confident	92.6	Very high	75 Å²	75	57.5 Å²	57.5	77%	0.773	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-6.2	-179.3	0	0	0	0	0	116.3	K38	K38-G40 PolarHBondContact O-N 2.81Å
41	Q	91.5	Very high	92.6	Very high	52 Å²	52	61.8 Å²	61.8	24%	0.243	31%	0.312	C	S	.	.			trans	-80.6	131.6	175.2	-75	175	-80.7	0	0	109.7	L37 K38 R77	L37-Q41 HydrophobicContact CD1-CB 3.77Å; K38-Q41 HydrophobicContact CB-CG 4.37Å; K38-Q41 VanDerWaalsContact N-OE1 3.16Å; K38-Q41 PolarHBondContact O-N 3.28Å; Q41-R77 WeakPolarHBondContact O-CD 3.19Å; Q41-R77 PolarHBondContact O-NE 2.87Å
42	K	93.3	Very high	92.7	Very high	177 Å²	177	69.2 Å²	69.2	77%	0.77	35%	0.345	S	S	*	.	S	Bend	trans	-72.7	-42.4	175.7	-67.5	-177.7	179.6	178.9	0	112.1	R77	K42-R77 WeakPolarHBondContact O-CG 3.5Å; K42-R77 PolarHBondContact O-N 2.71Å
43	E	95.5	Very high	92.6	Very high	93 Å²	93	72.8 Å²	72.8	44%	0.435	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	166.9	-179.7	62.1	175.4	-162.5	0	0	110.9	T74 I75 E76	E43-T74 HydrophobicContact CB-CG2 4.16Å; E43-I75 CarbonylContact C-O 3.55Å; E43-I75 WeakPolarHBondContact CA-O 3.5Å; E43-E76 HydrophobicContact CB-CG 4.38Å
44	I	96.8	Very high	92.6	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.5	161.3	53.8	171.4	0	0	0	109.7	I35 L37 D56 Y57 T74 I75	I35-I44 HydrophobicContact CG2-CD1 3.64Å; L37-I44 HydrophobicContact CB-CD1 4.05Å; L37-I44 HydrophobicContact CB-CG1 4.24Å; L37-I44 HydrophobicContact CD1-CG1 4.23Å; L37-I44 HydrophobicContact CD1-CG2 3.99Å; I44-D56 HydrophobicContact CB-CB 4.31Å; I44-D56 HydrophobicContact CG2-CB 4.44Å; I44-Y57 HydrophobicContact CB-CD2 4.36Å; I44-Y57 HydrophobicContact CB-CE2 4.37Å; I44-Y57 HydrophobicContact CD1-CD2 4.03Å; I44-Y57 HydrophobicContact CD1-CE2 3.82Å; I44-Y57 HydrophobicContact CG2-CE2 4.21Å; I44-T74 WeakPolarHBondContact O-CA 3.39Å; I44-I75 HydrophobicContact CD1-CD1 4.38Å; I44-I75 HydrophobicContact CG1-CB 4.01Å; I44-I75 PolarHBondContact N-O 3.03Å; I44-I75 PolarHBondContact O-N 3.38Å
45	R	97.2	Very high	92.6	Very high	84 Å²	84	66.7 Å²	66.7	32%	0.317	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.7	178.9	-54	179	-57.1	-172.4	8.5	110.8	P54 D56 Y57 T74	R45-P54 PolarHBondContact NH2-O 2.96Å; R45-D56 WeakPolarHBondContact CB-OD2 3.36Å; R45-D56 PolarHBondContact N-OD2 2.81Å; R45-D56 IonicContact NE-OD2 2.66Å; R45-D56 PolarHBondContact O-N 2.92Å; R45-Y57 PolarHBondContact O-N 3.38Å; R45-Y57 VanDerWaalsContact O-N 3.08Å; R45-T74 HydrophobicContact CG-CG2 4.47Å
46	I	97.5	Very high	92.5	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.8	-174.7	-53.4	173.2	0	0	0	107.9	L6 I35 I59 H72 A73 I75 F114	L6-I46 HydrophobicContact CD1-CD1 4.43Å; I35-I46 HydrophobicContact CD1-CD1 4.35Å; I35-I46 HydrophobicContact CD1-CG2 4.47Å; I35-I46 HydrophobicContact CG2-CD1 3.99Å; I35-I46 HydrophobicContact CG2-CG1 4.44Å; I46-I59 HydrophobicContact CG2-CD1 3.58Å; I46-I59 HydrophobicContact CG2-CG1 4.13Å; I46-I59 HydrophobicContact CG2-CG2 4.2Å; I46-H72 WeakPolarHBondContact O-CA 3.39Å; I46-H72 VanDerWaalsContact O-CB 3.28Å; I46-H72 WeakPolarHBondContact O-CB 3.45Å; I46-H72 PolarHBondContact O-N 2.89Å; I46-A73 PolarHBondContact N-O 2.83Å; I46-A73 PolarHBondContact O-N 3Å; I46-I75 HydrophobicContact CD1-CD1 3.9Å; I46-I75 HydrophobicContact CD1-CG1 4.2Å; I46-F114 HydrophobicContact CD1-CE1 4.04Å; I46-F114 HydrophobicContact CD1-CZ 3.66Å; I46-F114 HydrophobicContact CG2-CD1 4.49Å; I46-F114 HydrophobicContact CG2-CE1 4.21Å; I46-F114 HydrophobicContact CG2-CZ 4.24Å
47	G	96.4	Very high	92.5	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-174.6	177.4	0	0	0	0	0	113.8	Y57 P58 I59 S69	G47-Y57 PolarHBondContact N-O 2.96Å; G47-P58 CarbonylContact O-C 3.42Å; G47-P58 VanDerWaalsContact O-CA 3.28Å; G47-P58 WeakPolarHBondContact O-CA 3.39Å; G47-I59 PolarHBondContact O-N 2.91Å; G47-S69 WeakPolarHBondContact CA-O 3.41Å
48	R	94.8	Very high	92.5	Very high	70 Å²	70	72.4 Å²	72.4	26%	0.264	38%	0.376	S	S	.	.	S	Bend	trans	-76.5	146.6	179	-173.7	159.7	60.6	117.4	7.6	111.2	N50 I59 E60 S65 I68 S69 R70	R48-N50 PolarHBondContact O-N 3.33Å; R48-I59 WeakPolarHBondContact CA-O 3.48Å; R48-E60 HydrophobicContact CG-CG 4.24Å; R48-S65 WeakPolarHBondContact CD-O 3.31Å; R48-S65 PolarHBondContact NE-O 3.04Å; R48-I68 HydrophobicContact CB-CB 4.16Å; R48-I68 HydrophobicContact CB-CG2 3.87Å; R48-I68 WeakPolarHBondContact CB-O 3.34Å; R48-I68 PolarHBondContact NE-O 3Å; R48-S69 PolarHBondContact N-O 3.18Å; R48-R70 WeakPolarHBondContact O-CA 3.41Å
49	I	92.1	Very high	92.7	Very high	88 Å²	88	67.2 Å²	67.2	45%	0.451	35%	0.354	S	S	.	.			trans	-52.4	138.3	-177.8	-167.2	167.5	0	0	0	112.5	Y30 P58	Y30-I49 HydrophobicContact CE1-CD1 4.48Å; I49-P58 HydrophobicContact CB-CB 4.49Å
50	N	87.4	Confident	93	Very high	32 Å²	32	66.7 Å²	66.7	17%	0.171	35%	0.348	C	S	.	.			trans	-151.8	127.7	-174.6	175.2	40.1	0	0	0	109.3	R48 I53 P54 R70	R48-N50 PolarHBondContact O-N 3.33Å; N50-I53 WeakPolarHBondContact CB-O 3.42Å; N50-I53 PolarHBondContact ND2-N 2.87Å; N50-I53 PolarHBondContact ND2-O 3.08Å; N50-I53 CarbonylContact O-C 3.54Å; N50-P54 WeakPolarHBondContact O-CA 3.4Å; N50-R70 HydrophobicContact CB-CB 4.18Å; N50-R70 HydrophobicContact CB-CG 4.17Å
51	T	84.9	Confident	93.2	Very high	141 Å²	141	63.3 Å²	63.3	87%	0.865	31%	0.312	S	S	*	.	S	Bend	trans	-74.1	-35.6	-175.1	49.5	0	0	0	0	113.3
52	K	89.3	Confident	93	Very high	192 Å²	192	61.3 Å²	61.3	84%	0.835	30%	0.303	S	S	*	.	S	Bend	trans	-71.3	-38.2	-178.4	-64	-161.7	177.9	-164.5	0	113.1
53	I	88.6	Confident	92.7	Very high	101 Å²	101	54.8 Å²	54.8	52%	0.518	28%	0.277	S	S	.	.	S	Bend	trans	-145.6	99.7	179.1	-54.3	178.7	0	0	0	107.5	N50	N50-I53 WeakPolarHBondContact CB-O 3.42Å; N50-I53 PolarHBondContact ND2-N 2.87Å; N50-I53 PolarHBondContact ND2-O 3.08Å; N50-I53 CarbonylContact O-C 3.54Å
54	P	91.7	Very high	92.3	Very high	78 Å²	78	53.8 Å²	53.8	51%	0.506	27%	0.274	S	S	.	.			trans	-75.4	140	179.1	28.8	-33.7	0	0	0	111.6	R45 N50	R45-P54 PolarHBondContact NH2-O 2.96Å; N50-P54 WeakPolarHBondContact O-CA 3.4Å
55	P	94.3	Very high	91.8	Very high	17 Å²	17	55.7 Å²	55.7	11%	0.11	29%	0.288	C	S	.	.			trans	-71.9	152.2	166.8	31.7	-34.3	0	0	0	110.6	Y57 P58	P55-Y57 PolarHBondContact O-N 3.01Å; P55-P58 HydrophobicContact CG-CB 4.21Å
56	D	95.3	Very high	91.4	Very high	78 Å²	78	60.9 Å²	60.9	42%	0.417	31%	0.307	S	S	.	.	S	Bend	trans	-62.4	-32.6	172.6	-55.8	-100.2	0	0	0	111.6	I44 R45	I44-D56 HydrophobicContact CB-CB 4.31Å; I44-D56 HydrophobicContact CG2-CB 4.44Å; R45-D56 WeakPolarHBondContact CB-OD2 3.36Å; R45-D56 PolarHBondContact N-OD2 2.81Å; R45-D56 IonicContact NE-OD2 2.66Å; R45-D56 PolarHBondContact O-N 2.92Å
57	Y	96	Very high	91.3	Very high	42 Å²	42	61.1 Å²	61.1	17%	0.165	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	96	175.3	-71.8	-84.6	0	0	0	110.3	P32 I35 E36 I44 R45 G47 P55 I59	P32-Y57 HydrophobicContact CB-CD1 4.44Å; P32-Y57 HydrophobicContact CG-CD1 4.43Å; I35-Y57 HydrophobicContact CB-CD1 4.18Å; I35-Y57 HydrophobicContact CB-CE1 4.28Å; I35-Y57 HydrophobicContact CB-CG 4.34Å; I35-Y57 HydrophobicContact CG1-CD1 3.79Å; I35-Y57 HydrophobicContact CG1-CE1 4.28Å; I35-Y57 HydrophobicContact CG1-CG 4.06Å; I35-Y57 HydrophobicContact CG2-CD1 4.14Å; I35-Y57 HydrophobicContact CG2-CD2 3.72Å; I35-Y57 HydrophobicContact CG2-CE1 4.33Å; I35-Y57 HydrophobicContact CG2-CE2 3.91Å; I35-Y57 HydrophobicContact CG2-CG 3.83Å; E36-Y57 PolarHBondContact N-OH 2.88Å; E36-Y57 VanDerWaalsContact N-OH 3.07Å; E36-Y57 PolarHBondContact O-OH 3.3Å; I44-Y57 HydrophobicContact CB-CD2 4.36Å; I44-Y57 HydrophobicContact CB-CE2 4.37Å; I44-Y57 HydrophobicContact CD1-CD2 4.03Å; I44-Y57 HydrophobicContact CD1-CE2 3.82Å; I44-Y57 HydrophobicContact CG2-CE2 4.21Å; R45-Y57 PolarHBondContact O-N 3.38Å; R45-Y57 VanDerWaalsContact O-N 3.08Å; G47-Y57 PolarHBondContact N-O 2.96Å; P55-Y57 PolarHBondContact O-N 3.01Å; Y57-I59 PolarHBondContact O-N 2.84Å
58	P	95	Very high	91.2	Very high	43 Å²	43	61.1 Å²	61.1	28%	0.279	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	124.7	171.7	28.2	-32.8	0	0	0	110.2	Y30 G47 I49 P55	Y30-P58 HydrophobicContact CD1-CB 4.34Å; G47-P58 CarbonylContact O-C 3.42Å; G47-P58 VanDerWaalsContact O-CA 3.28Å; G47-P58 WeakPolarHBondContact O-CA 3.39Å; I49-P58 HydrophobicContact CB-CB 4.49Å; P55-P58 HydrophobicContact CG-CB 4.21Å
59	I	95.2	Very high	91.3	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.304	C	S	.	.			trans	-128.3	146.6	176.8	73.3	176.5	0	0	0	112.4	Y30 P32 I35 I46 G47 R48 Y57 I68 F114 L135	Y30-I59 VanDerWaalsContact O-CA 3.25Å; Y30-I59 WeakPolarHBondContact O-CA 3.39Å; P32-I59 HydrophobicContact CG-CG2 3.82Å; I35-I59 HydrophobicContact CD1-CG2 4.41Å; I46-I59 HydrophobicContact CG2-CD1 3.58Å; I46-I59 HydrophobicContact CG2-CG1 4.13Å; I46-I59 HydrophobicContact CG2-CG2 4.2Å; G47-I59 PolarHBondContact O-N 2.91Å; R48-I59 WeakPolarHBondContact CA-O 3.48Å; Y57-I59 PolarHBondContact O-N 2.84Å; I59-I68 HydrophobicContact CD1-CG2 4.36Å; I59-I68 HydrophobicContact CG1-CG2 3.79Å; I59-F114 HydrophobicContact CD1-CB 3.74Å; I59-F114 HydrophobicContact CD1-CD1 4.45Å; I59-F114 HydrophobicContact CD1-CD2 3.86Å; I59-F114 HydrophobicContact CD1-CG 3.76Å; I59-L135 HydrophobicContact CB-CD2 4.14Å; I59-L135 HydrophobicContact CD1-CD1 4.11Å; I59-L135 HydrophobicContact CD1-CD2 4.35Å; I59-L135 HydrophobicContact CG1-CD1 4.38Å
60	E	93.3	Very high	91.4	Very high	36 Å²	36	62.3 Å²	62.3	17%	0.168	31%	0.311	C	S	.	.			trans	-138.9	152	174.3	-62.7	-165.8	156.8	0	0	110.1	Y30 R48	Y30-E60 HydrophobicContact CD2-CB 4.27Å; Y30-E60 HydrophobicContact CD2-CG 3.86Å; Y30-E60 VanDerWaalsContact CD2-OE2 3.26Å; Y30-E60 WeakPolarHBondContact CD2-OE2 3.29Å; Y30-E60 HydrophobicContact CG-CB 4.39Å; Y30-E60 HydrophobicContact CG-CG 4.01Å; Y30-E60 PolarHBondContact O-N 2.82Å; R48-E60 HydrophobicContact CG-CG 4.24Å
61	S	91.3	Very high	91.8	Very high	3 Å²	3	64.6 Å²	64.6	2%	0.021	32%	0.323	C	S	.	.			trans	-107.9	138.3	177.6	177.5	0	0	0	0	111.3	I63 N64 S65 M67 D134	S61-I63 VanDerWaalsContact C-N 3.26Å; S61-I63 PolarHBondContact O-N 2.86Å; S61-I63 WeakPolarHBondContact OG-CB 3.47Å; S61-I63 PolarHBondContact OG-N 2.83Å; S61-I63 VanDerWaalsContact OG-N 3.14Å; S61-N64 CarbonylContact O-C 3.57Å; S61-S65 PolarHBondContact O-N 2.78Å; S61-M67 WeakPolarHBondContact OG-CE 3.25Å; S61-D134 VanDerWaalsContact CA-OD2 3.23Å; S61-D134 WeakPolarHBondContact CA-OD2 3.47Å; S61-D134 WeakPolarHBondContact CB-OD1 3.26Å; S61-D134 PolarHBondContact OG-OD1 2.93Å; S61-D134 PolarHBondContact OG-OD2 2.99Å
62	C	87.8	Confident	92.4	Very high	10 Å²	10	57.9 Å²	57.9	7%	0.068	28%	0.282	C	S	.	.	S	Bend	trans	-71.2	-20.6	170.9	59.1	0	0	0	0	113.4	L12 S24 S26 R31 D134	L12-C62 WeakPolarHBondContact CD2-SG 3.28Å; S24-C62 WeakPolarHBondContact O-CB 3.5Å; S24-C62 PolarHBondContact OG-O 2.73Å; S26-C62 WeakPolarHBondContact OG-CB 3.43Å; R31-C62 PolarHBondContact NH2-SG 2.84Å; C62-D134 PolarHBondContact N-OD2 2.92Å; C62-D134 PolarHBondContact SG-OD2 3.24Å
63	I	86.5	Confident	92.8	Very high	41 Å²	41	48.8 Å²	48.8	21%	0.21	24%	0.242	C	C	.	.	S	Bend	trans	-67.9	-46.5	176.4	-50.9	172.7	0	0	0	109	L12 S61 M67 L117	L12-I63 HydrophobicContact CD1-CD1 3.76Å; L12-I63 HydrophobicContact CD1-CG1 4Å; L12-I63 HydrophobicContact CD2-CD1 4.08Å; L12-I63 HydrophobicContact CD2-CG1 3.53Å; L12-I63 HydrophobicContact CG-CG1 4.43Å; S61-I63 VanDerWaalsContact C-N 3.26Å; S61-I63 PolarHBondContact O-N 2.86Å; S61-I63 WeakPolarHBondContact OG-CB 3.47Å; S61-I63 PolarHBondContact OG-N 2.83Å; S61-I63 VanDerWaalsContact OG-N 3.14Å; I63-M67 HydrophobicContact CD1-CE 4.41Å; I63-L117 HydrophobicContact CG2-CD1 4.21Å; I63-L117 HydrophobicContact CG2-CD2 3.84Å; I63-L117 HydrophobicContact CG2-CG 4.17Å
64	N	87.4	Confident	93.2	Very high	72 Å²	72	44.5 Å²	44.5	39%	0.385	22%	0.221	S	C	.	.			trans	-166	116.4	176.5	-178.2	-9.1	0	0	0	110.7	S61 R66 M67	S61-N64 CarbonylContact O-C 3.57Å; N64-R66 PolarHBondContact O-N 2.85Å; N64-R66 VanDerWaalsContact O-N 3.17Å; N64-R66 WeakPolarHBondContact OD1-CA 3.44Å; N64-R66 WeakPolarHBondContact OD1-CB 3.28Å; N64-R66 PolarHBondContact OD1-N 3.31Å; N64-M67 HydrophobicContact CB-CB 4.19Å; N64-M67 WeakPolarHBondContact O-CB 3.47Å; N64-M67 PolarHBondContact O-N 3.04Å
65	S	85.7	Confident	93.5	Very high	41 Å²	41	40.9 Å²	40.9	29%	0.287	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-56.3	-32.2	175.7	176.2	0	0	0	0	113	R48 S61 M67	R48-S65 WeakPolarHBondContact CD-O 3.31Å; R48-S65 PolarHBondContact NE-O 3.04Å; S61-S65 PolarHBondContact O-N 2.78Å; S65-M67 VanDerWaalsContact C-N 3.28Å; S65-M67 PolarHBondContact O-N 3.46Å
66	R	89.6	Confident	93.6	Very high	192 Å²	192	44 Å²	44	73%	0.725	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-77.9	-5.7	175.9	-70.9	-176.4	-84.9	-153.7	-5.2	114.1	N64 I68	N64-R66 PolarHBondContact O-N 2.85Å; N64-R66 VanDerWaalsContact O-N 3.17Å; N64-R66 WeakPolarHBondContact OD1-CA 3.44Å; N64-R66 WeakPolarHBondContact OD1-CB 3.28Å; N64-R66 PolarHBondContact OD1-N 3.31Å; R66-I68 PolarHBondContact O-N 2.96Å
67	M	93.9	Very high	93.5	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.03	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-64.5	-30.7	172.2	-169.6	169.3	68.9	0	0	111.6	S61 I63 N64 S65 N91	S61-M67 WeakPolarHBondContact OG-CE 3.25Å; I63-M67 HydrophobicContact CD1-CE 4.41Å; N64-M67 HydrophobicContact CB-CB 4.19Å; N64-M67 WeakPolarHBondContact O-CB 3.47Å; N64-M67 PolarHBondContact O-N 3.04Å; S65-M67 VanDerWaalsContact C-N 3.28Å; S65-M67 PolarHBondContact O-N 3.46Å; M67-N91 WeakPolarHBondContact CA-ND2 3.35Å; M67-N91 HydrophobicContact CG-CB 4.15Å; M67-N91 PolarHBondContact O-ND2 3.26Å
68	I	96	Very high	93.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-95.9	116.1	-177.5	-51.4	-52.8	0	0	0	111.3	R48 I59 R66 H72 F114 L135	R48-I68 HydrophobicContact CB-CB 4.16Å; R48-I68 HydrophobicContact CB-CG2 3.87Å; R48-I68 WeakPolarHBondContact CB-O 3.34Å; R48-I68 PolarHBondContact NE-O 3Å; I59-I68 HydrophobicContact CD1-CG2 4.36Å; I59-I68 HydrophobicContact CG1-CG2 3.79Å; R66-I68 PolarHBondContact O-N 2.96Å; I68-H72 HydrophobicContact CG2-CB 4.25Å; I68-H72 WeakPolarHBondContact CG2-ND1 3.5Å; I68-F114 HydrophobicContact CD1-CB 4.34Å; I68-F114 WeakPolarHBondContact CD1-O 3.38Å; I68-L135 HydrophobicContact CD1-CD1 3.52Å; I68-L135 HydrophobicContact CG1-CD1 3.74Å
69	S	95.8	Very high	92.8	Very high	25 Å²	25	45.3 Å²	45.3	18%	0.175	23%	0.233	C	C	.	.			trans	-64.8	150	170.3	-59	0	0	0	0	112.1	G47 R48 N71 H72 M90	G47-S69 WeakPolarHBondContact CA-O 3.41Å; R48-S69 PolarHBondContact N-O 3.18Å; S69-N71 WeakPolarHBondContact CB-O 3.34Å; S69-H72 PolarHBondContact N-ND1 2.82Å; S69-M90 PolarHBondContact OG-N 3.15Å
70	R	94.8	Very high	92.2	Very high	159 Å²	159	55.1 Å²	55.1	60%	0.6	28%	0.276	S	S	*	.	S	Bend	trans	-61	-46.7	-178.9	-71.8	176.7	-71.4	-171.9	-3.2	112.3	R48 N50	R48-R70 WeakPolarHBondContact O-CA 3.41Å; N50-R70 HydrophobicContact CB-CB 4.18Å; N50-R70 HydrophobicContact CB-CG 4.17Å
71	N	95.4	Very high	91.8	Very high	80 Å²	80	55.7 Å²	55.7	43%	0.428	29%	0.291	S	S	.	.	S	Bend	trans	-97.9	118.9	156.2	-175.2	17.7	0	0	0	106.1	S69 H88	S69-N71 WeakPolarHBondContact CB-O 3.34Å; N71-H88 PolarHBondContact ND2-CD2 2.94Å; N71-H88 PolarHBondContact OD1-CD2 3.18Å
72	H	97.1	Very high	91.7	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.305	C	S	.	.			trans	-113.6	-50.5	-177.4	-165	116.9	0	0	0	111.1	I46 I68 S69 H88 S89 T93 F114 G115	I46-H72 WeakPolarHBondContact O-CA 3.39Å; I46-H72 VanDerWaalsContact O-CB 3.28Å; I46-H72 WeakPolarHBondContact O-CB 3.45Å; I46-H72 PolarHBondContact O-N 2.89Å; I68-H72 HydrophobicContact CG2-CB 4.25Å; I68-H72 WeakPolarHBondContact CG2-ND1 3.5Å; S69-H72 PolarHBondContact N-ND1 2.82Å; H72-H88 CarbonylContact O-C 3.59Å; H72-H88 WeakPolarHBondContact O-CA 3.41Å; H72-H88 PolarHBondContact O-N 2.82Å; H72-S89 VanDerWaalsContact CD2-CB 3.49Å; H72-S89 WeakPolarHBondContact CD2-CB 3.22Å; H72-S89 PolarHBondContact O-N 2.93Å; H72-S89 VanDerWaalsContact O-N 3.13Å; H72-T93 PolarHBondContact CD2-OG1 2.87Å; H72-F114 AromaticContact CD2-CD1 3.85Å; H72-G115 PolarHBondContact CE1-N 3.02Å; H72-G115 PolarHBondContact NE2-N 3.19Å
73	A	98	Very high	92	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	155.5	-179.7	0	0	0	0	0	111.8	I46 L85 Y86 T93 F114	I46-A73 PolarHBondContact N-O 2.83Å; I46-A73 PolarHBondContact O-N 3Å; A73-L85 HydrophobicContact CB-CD1 3.91Å; A73-Y86 WeakPolarHBondContact CA-O 3.44Å; A73-Y86 WeakPolarHBondContact CB-O 3.38Å; A73-T93 HydrophobicContact CB-CG2 4.17Å; A73-F114 HydrophobicContact CB-CD1 4.22Å; A73-F114 HydrophobicContact CB-CE1 3.81Å
74	T	97.8	Very high	92.5	Very high	12 Å²	12	55.8 Å²	55.8	7%	0.074	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.6	173.6	-53.7	0	0	0	0	109.3	E43 I44 R45 L85 Y86 H88	E43-T74 HydrophobicContact CB-CG2 4.16Å; I44-T74 WeakPolarHBondContact O-CA 3.39Å; R45-T74 HydrophobicContact CG-CG2 4.47Å; T74-L85 WeakPolarHBondContact O-CA 3.47Å; T74-Y86 PolarHBondContact N-O 3.12Å; T74-Y86 VanDerWaalsContact N-O 3.16Å; T74-Y86 PolarHBondContact O-N 2.72Å; T74-H88 WeakPolarHBondContact CB-NE2 3.22Å; T74-H88 PolarHBondContact OG1-CD2 3.42Å; T74-H88 PolarHBondContact OG1-NE2 3.41Å
75	I	97.4	Very high	93	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	112.6	169.8	-52.6	177.2	0	0	0	108.6	L6 L37 E43 I44 I46 I84 L85 L106	L6-I75 HydrophobicContact CD1-CD1 3.88Å; L6-I75 HydrophobicContact CD2-CD1 4.45Å; L6-I75 HydrophobicContact CG-CD1 4.17Å; L37-I75 HydrophobicContact CD2-CG2 3.85Å; E43-I75 CarbonylContact C-O 3.55Å; E43-I75 WeakPolarHBondContact CA-O 3.5Å; I44-I75 HydrophobicContact CD1-CD1 4.38Å; I44-I75 HydrophobicContact CG1-CB 4.01Å; I44-I75 PolarHBondContact N-O 3.03Å; I44-I75 PolarHBondContact O-N 3.38Å; I46-I75 HydrophobicContact CD1-CD1 3.9Å; I46-I75 HydrophobicContact CD1-CG1 4.2Å; I75-I84 CarbonylContact C-O 3.59Å; I75-I84 WeakPolarHBondContact CA-O 3.35Å; I75-L85 HydrophobicContact CD1-CD1 4.24Å; I75-L85 HydrophobicContact CG1-CD1 3.61Å; I75-L106 HydrophobicContact CD1-CD1 4.27Å; I75-L106 HydrophobicContact CG2-CD1 4.12Å
76	E	95.8	Very high	93.6	Very high	82 Å²	82	53.5 Å²	53.5	38%	0.383	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	151.3	-178.3	-159.2	-161.5	157	0	0	111.6	E43 S83 I84 Y86	E43-E76 HydrophobicContact CB-CG 4.38Å; E76-S83 CarbonylContact O-C 3.51Å; E76-S83 WeakPolarHBondContact O-CA 3.42Å; E76-S83 WeakPolarHBondContact O-CB 3.48Å; E76-I84 PolarHBondContact N-O 3.31Å; E76-I84 PolarHBondContact O-N 3.16Å; E76-Y86 HydrophobicContact CB-CE2 4.03Å
77	R	93.4	Very high	94	Very high	45 Å²	45	45.7 Å²	45.7	17%	0.17	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	114	167.3	-66.9	-169	172.1	-78.1	-7.9	111.4	S2 L37 K38 P39 Q41 K42 A79	S2-R77 PolarHBondContact O-NH1 2.87Å; S2-R77 PolarHBondContact O-NH2 3.45Å; L37-R77 HydrophobicContact CD2-CG 3.84Å; L37-R77 HydrophobicContact CG-CG 4.34Å; L37-R77 PolarHBondContact O-NH2 3.37Å; K38-R77 VanDerWaalsContact C-NH2 3.27Å; K38-R77 PolarHBondContact O-NH2 3.3Å; P39-R77 PolarHBondContact O-NE 2.78Å; Q41-R77 WeakPolarHBondContact O-CD 3.19Å; Q41-R77 PolarHBondContact O-NE 2.87Å; K42-R77 WeakPolarHBondContact O-CG 3.5Å; K42-R77 PolarHBondContact O-N 2.71Å; R77-A79 PolarHBondContact O-N 3.22Å
78	S	91.2	Very high	94.1	Very high	29 Å²	29	49.6 Å²	49.6	20%	0.203	27%	0.269	C	S	.	.			trans	-63.5	131.7	172.1	171.4	0	0	0	0	111.4	K80 G81 G82	S78-K80 PolarHBondContact O-N 3.44Å; S78-K80 VanDerWaalsContact O-N 3.11Å; S78-K80 PolarHBondContact OG-N 2.91Å; S78-K80 VanDerWaalsContact OG-N 3.11Å; S78-G81 VanDerWaalsContact CB-O 3.3Å; S78-G81 WeakPolarHBondContact CB-O 3.41Å; S78-G81 PolarHBondContact O-N 3.43Å; S78-G81 PolarHBondContact OG-O 2.89Å; S78-G82 PolarHBondContact N-O 3.18Å
79	A	85.7	Confident	94.1	Very high	116 Å²	116	50 Å²	50	96%	0.959	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-16.1	171.1	0	0	0	0	0	113.6	R77 G81	R77-A79 PolarHBondContact O-N 3.22Å; A79-G81 VanDerWaalsContact C-N 3.35Å
80	K	83	Confident	94.1	Very high	207 Å²	207	54.4 Å²	54.4	90%	0.9	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	3	173.4	-60.2	-179.9	-179.1	176.2	0	113.3	S78	S78-K80 PolarHBondContact O-N 3.44Å; S78-K80 VanDerWaalsContact O-N 3.11Å; S78-K80 PolarHBondContact OG-N 2.91Å; S78-K80 VanDerWaalsContact OG-N 3.11Å
81	G	84.4	Confident	94.2	Very high	48 Å²	48	47.6 Å²	47.6	50%	0.495	27%	0.267	S	S	.	.	S	Bend	trans	90	159.1	-169.9	0	0	0	0	0	113	S78 A79	S78-G81 VanDerWaalsContact CB-O 3.3Å; S78-G81 WeakPolarHBondContact CB-O 3.41Å; S78-G81 PolarHBondContact O-N 3.43Å; S78-G81 PolarHBondContact OG-O 2.89Å; A79-G81 VanDerWaalsContact C-N 3.35Å
82	G	89.1	Confident	94.2	Very high	30 Å²	30	43.8 Å²	43.8	31%	0.309	25%	0.246	S	C	.	.	S	Bend	trans	80.4	-169.2	-171	0	0	0	0	0	113.3	S78	S78-G82 PolarHBondContact N-O 3.18Å
83	S	94.4	Very high	94.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	146.5	175.8	-53.7	0	0	0	0	110.7	V4 E76 T105 L106	V4-S83 VanDerWaalsContact CG2-OG 3.29Å; V4-S83 WeakPolarHBondContact CG2-OG 3.5Å; E76-S83 CarbonylContact O-C 3.51Å; E76-S83 WeakPolarHBondContact O-CA 3.42Å; E76-S83 WeakPolarHBondContact O-CB 3.48Å; S83-T105 WeakPolarHBondContact O-CA 3.49Å; S83-L106 PolarHBondContact O-N 3.2Å
84	I	96.5	Very high	94.3	Very high	24 Å²	24	43.8 Å²	43.8	12%	0.123	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.7	-169.8	-56.4	177	0	0	0	108.4	I75 E76 Y86 V104	I75-I84 CarbonylContact C-O 3.59Å; I75-I84 WeakPolarHBondContact CA-O 3.35Å; E76-I84 PolarHBondContact N-O 3.31Å; E76-I84 PolarHBondContact O-N 3.16Å; I84-Y86 HydrophobicContact CB-CE2 3.77Å; I84-Y86 HydrophobicContact CG2-CD2 4.07Å; I84-Y86 HydrophobicContact CG2-CE1 4.16Å; I84-Y86 HydrophobicContact CG2-CE2 3.47Å; I84-Y86 VanDerWaalsContact CG2-CE2 3.47Å; I84-V104 WeakPolarHBondContact CA-O 3.36Å
85	L	97.7	Very high	94.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	129.5	172.4	176.4	67	0	0	0	109.6	A73 T74 I75 T93 V95 V100 G103 V104 L106 V112	A73-L85 HydrophobicContact CB-CD1 3.91Å; T74-L85 WeakPolarHBondContact O-CA 3.47Å; I75-L85 HydrophobicContact CD1-CD1 4.24Å; I75-L85 HydrophobicContact CG1-CD1 3.61Å; L85-T93 HydrophobicContact CD1-CG2 4.25Å; L85-T93 HydrophobicContact CD2-CG2 3.8Å; L85-T93 HydrophobicContact CG-CG2 4.2Å; L85-V95 HydrophobicContact CD2-CG2 3.63Å; L85-V100 HydrophobicContact CD2-CG2 4.2Å; L85-V100 HydrophobicContact CG-CG2 4.45Å; L85-V100 WeakPolarHBondContact O-CG1 3.23Å; L85-G103 WeakPolarHBondContact O-CA 3.49Å; L85-V104 PolarHBondContact N-O 3.42Å; L85-V104 PolarHBondContact O-N 2.96Å; L85-L106 HydrophobicContact CB-CD1 4.15Å; L85-L106 HydrophobicContact CB-CD2 3.81Å; L85-L106 HydrophobicContact CB-CG 4Å; L85-L106 HydrophobicContact CD2-CD2 4.03Å; L85-V112 HydrophobicContact CD2-CG1 3.79Å; L85-V112 HydrophobicContact CD2-CG2 4.2Å
86	Y	98	Very high	94.3	Very high	65 Å²	65	47.3 Å²	47.3	26%	0.255	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	138.9	176.8	-64.7	-90.5	0	0	0	110.6	A73 T74 E76 I84 G102 G103	A73-Y86 WeakPolarHBondContact CA-O 3.44Å; A73-Y86 WeakPolarHBondContact CB-O 3.38Å; T74-Y86 PolarHBondContact N-O 3.12Å; T74-Y86 VanDerWaalsContact N-O 3.16Å; T74-Y86 PolarHBondContact O-N 2.72Å; E76-Y86 HydrophobicContact CB-CE2 4.03Å; I84-Y86 HydrophobicContact CB-CE2 3.77Å; I84-Y86 HydrophobicContact CG2-CD2 4.07Å; I84-Y86 HydrophobicContact CG2-CE1 4.16Å; I84-Y86 HydrophobicContact CG2-CE2 3.47Å; I84-Y86 VanDerWaalsContact CG2-CE2 3.47Å; Y86-G102 WeakPolarHBondContact CD1-O 3.23Å; Y86-G103 VanDerWaalsContact CE1-CA 3.47Å
87	D	97.7	Very high	94.4	Very high	29 Å²	29	45.6 Å²	45.6	16%	0.155	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132.5	171.3	-171.8	26.4	0	0	0	110.8	S89 T93 R99 V100	D87-S89 WeakPolarHBondContact OD1-CB 3.47Å; D87-S89 PolarHBondContact OD1-N 2.8Å; D87-S89 PolarHBondContact OD1-OG 2.96Å; D87-T93 VanDerWaalsContact CG-N 3.29Å; D87-T93 WeakPolarHBondContact OD1-CB 3.49Å; D87-T93 PolarHBondContact OD1-N 3.16Å; D87-T93 PolarHBondContact OD1-OG1 2.88Å; D87-T93 PolarHBondContact OD2-N 3.27Å; D87-R99 IonicContact OD2-CZ 3.18Å; D87-R99 VanDerWaalsContact OD2-CZ 3.31Å; D87-R99 IonicContact OD2-NE 3.32Å; D87-R99 PolarHBondContact OD2-NE 2.95Å; D87-R99 IonicContact OD2-NH2 2.94Å; D87-R99 PolarHBondContact OD2-NH2 2.94Å; D87-V100 HydrophobicContact CB-CB 4.01Å; D87-V100 HydrophobicContact CB-CG1 4.03Å
88	H	96.6	Very high	94.5	Very high	87 Å²	87	46.1 Å²	46.1	40%	0.403	26%	0.264	S	S	.	.			trans	-127.2	4.9	173.2	-55.1	-35.1	0	0	0	111.6	N71 H72 T74	N71-H88 PolarHBondContact ND2-CD2 2.94Å; N71-H88 PolarHBondContact OD1-CD2 3.18Å; H72-H88 CarbonylContact O-C 3.59Å; H72-H88 WeakPolarHBondContact O-CA 3.41Å; H72-H88 PolarHBondContact O-N 2.82Å; T74-H88 WeakPolarHBondContact CB-NE2 3.22Å; T74-H88 PolarHBondContact OG1-CD2 3.42Å; T74-H88 PolarHBondContact OG1-NE2 3.41Å
89	S	96.2	Very high	94.9	Very high	10 Å²	10	45.9 Å²	45.9	7%	0.07	26%	0.259	C	S	.	.			trans	-91.4	158.6	-168.9	73.9	0	0	0	0	113.4	H72 D87 G92 R99	H72-S89 VanDerWaalsContact CD2-CB 3.49Å; H72-S89 WeakPolarHBondContact CD2-CB 3.22Å; H72-S89 PolarHBondContact O-N 2.93Å; H72-S89 VanDerWaalsContact O-N 3.13Å; D87-S89 WeakPolarHBondContact OD1-CB 3.47Å; D87-S89 PolarHBondContact OD1-N 2.8Å; D87-S89 PolarHBondContact OD1-OG 2.96Å; S89-G92 VanDerWaalsContact OG-CA 3.25Å; S89-G92 WeakPolarHBondContact OG-CA 3.31Å; S89-G92 PolarHBondContact OG-N 2.75Å; S89-R99 PolarHBondContact O-NH2 2.66Å
90	M	95.3	Very high	95.4	Very high	117 Å²	117	40.6 Å²	40.6	58%	0.576	21%	0.214	S	C	*	.	S	Bend	trans	-69.9	-44.8	169.5	-173.1	172.1	71.7	0	0	111.1	S69 R99 A120	S69-M90 PolarHBondContact OG-N 3.15Å; M90-R99 PolarHBondContact O-NH1 3.25Å; M90-A120 HydrophobicContact CG-CB 4.36Å
91	N	96.7	Very high	96	Very high	15 Å²	15	36.8 Å²	36.8	8%	0.08	20%	0.201	C	C	.	.	S	Bend	trans	-96.4	12.9	-169.5	-60.9	-52	0	0	0	115	M67 Y94 H116 G119	M67-N91 WeakPolarHBondContact CA-ND2 3.35Å; M67-N91 HydrophobicContact CG-CB 4.15Å; M67-N91 PolarHBondContact O-ND2 3.26Å; N91-Y94 WeakPolarHBondContact O-CE2 3.17Å; N91-Y94 PolarHBondContact O-OH 3.28Å; N91-H116 PolarHBondContact O-N 2.64Å; N91-G119 VanDerWaalsContact O-CA 3.25Å; N91-G119 WeakPolarHBondContact O-CA 3.44Å
92	G	96.7	Very high	96.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.205	C	C	.	.			trans	82.5	135.9	174.1	0	0	0	0	0	115.3	S89 Y94 R99 G115	S89-G92 VanDerWaalsContact OG-CA 3.25Å; S89-G92 WeakPolarHBondContact OG-CA 3.31Å; S89-G92 PolarHBondContact OG-N 2.75Å; G92-Y94 VanDerWaalsContact C-CE2 3.45Å; G92-Y94 WeakPolarHBondContact O-CD2 3.49Å; G92-Y94 WeakPolarHBondContact O-CE2 3.35Å; G92-R99 VanDerWaalsContact CA-CZ 3.45Å; G92-G115 VanDerWaalsContact O-CA 3.24Å; G92-G115 WeakPolarHBondContact O-CA 3.24Å; G92-G115 PolarHBondContact O-N 3.14Å
93	T	98.3	Very high	96.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	134.4	158.3	-51.3	0	0	0	0	108.1	H72 A73 L85 D87 V100 V112 F114	H72-T93 PolarHBondContact CD2-OG1 2.87Å; A73-T93 HydrophobicContact CB-CG2 4.17Å; L85-T93 HydrophobicContact CD1-CG2 4.25Å; L85-T93 HydrophobicContact CD2-CG2 3.8Å; L85-T93 HydrophobicContact CG-CG2 4.2Å; D87-T93 VanDerWaalsContact CG-N 3.29Å; D87-T93 WeakPolarHBondContact OD1-CB 3.49Å; D87-T93 PolarHBondContact OD1-N 3.16Å; D87-T93 PolarHBondContact OD1-OG1 2.88Å; D87-T93 PolarHBondContact OD2-N 3.27Å; T93-V100 HydrophobicContact CG2-CG2 4.39Å; T93-V100 WeakPolarHBondContact O-CG2 3.25Å; T93-V100 PolarHBondContact O-N 3.24Å; T93-V112 HydrophobicContact CG2-CG1 4.45Å; T93-F114 HydrophobicContact CG2-CD1 3.82Å; T93-F114 HydrophobicContact CG2-CE1 3.84Å
94	Y	98.3	Very high	96.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.8	-173.3	-58.6	-95.2	0	0	0	111.4	N91 G92 T98 R99 V112 C113 H116 L122 V128 F131	N91-Y94 WeakPolarHBondContact O-CE2 3.17Å; N91-Y94 PolarHBondContact O-OH 3.28Å; G92-Y94 VanDerWaalsContact C-CE2 3.45Å; G92-Y94 WeakPolarHBondContact O-CD2 3.49Å; G92-Y94 WeakPolarHBondContact O-CE2 3.35Å; Y94-T98 CarbonylContact C-O 3.58Å; Y94-T98 VanDerWaalsContact CA-O 3.3Å; Y94-T98 WeakPolarHBondContact CA-O 3.45Å; Y94-R99 HydrophobicContact CD1-CB 3.96Å; Y94-R99 HydrophobicContact CE1-CB 3.68Å; Y94-R99 HydrophobicContact CE1-CG 4.17Å; Y94-V112 CarbonylContact O-C 3.51Å; Y94-V112 VanDerWaalsContact O-CA 3.31Å; Y94-V112 WeakPolarHBondContact O-CA 3.46Å; Y94-C113 PolarHBondContact N-O 3.07Å; Y94-C113 PolarHBondContact O-N 2.8Å; Y94-H116 HydrophobicContact CD2-CB 4.38Å; Y94-H116 HydrophobicContact CE2-CB 3.46Å; Y94-H116 VanDerWaalsContact CE2-CB 3.46Å; Y94-L122 HydrophobicContact CE1-CD1 4.45Å; Y94-L122 WeakPolarHBondContact OH-CD1 3.3Å; Y94-V128 HydrophobicContact CD1-CG1 4.32Å; Y94-V128 HydrophobicContact CD1-CG2 3.97Å; Y94-V128 HydrophobicContact CE1-CG1 3.73Å; Y94-V128 HydrophobicContact CE1-CG2 4.16Å; Y94-F131 HydrophobicContact CD2-CZ 4.3Å
95	V	98.1	Very high	96.9	Very high	13 Å²	13	42 Å²	42	8%	0.079	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.8	168.6	177.4	0	0	0	0	108	L85 Y97 T98 V100 V104 L106 D110 I111 V112	L85-V95 HydrophobicContact CD2-CG2 3.63Å; V95-Y97 PolarHBondContact O-N 3.5Å; V95-T98 PolarHBondContact N-O 3.13Å; V95-T98 PolarHBondContact O-N 2.85Å; V95-V100 HydrophobicContact CB-CG2 4.4Å; V95-V100 HydrophobicContact CG2-CG2 3.65Å; V95-V104 HydrophobicContact CB-CG1 4.3Å; V95-V104 HydrophobicContact CG1-CG1 4.22Å; V95-V104 HydrophobicContact CG2-CG1 4.14Å; V95-L106 HydrophobicContact CG2-CD2 4.16Å; V95-D110 HydrophobicContact CG1-CB 4.34Å; V95-I111 CarbonylContact C-O 3.59Å; V95-I111 WeakPolarHBondContact CA-O 3.45Å; V95-V112 HydrophobicContact CG2-CG2 4.45Å
96	N	97.5	Very high	96.8	Very high	75 Å²	75	42.2 Å²	42.2	40%	0.401	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	46.5	-177.5	-59.7	-33.4	0	0	0	112.3	T98 D110 I111	N96-T98 PolarHBondContact O-N 2.96Å; N96-D110 PolarHBondContact ND2-OD1 3.03Å; N96-I111 PolarHBondContact N-O 2.87Å; N96-I111 PolarHBondContact OD1-N 3.13Å
97	Y	96.9	Very high	96.7	Very high	47 Å²	47	45.9 Å²	45.9	18%	0.184	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	26.1	-178.7	-51.9	-85	0	0	0	115	V95 P127 V128 L130 F131 K136	V95-Y97 PolarHBondContact O-N 3.5Å; Y97-P127 WeakPolarHBondContact O-CA 3.07Å; Y97-V128 WeakPolarHBondContact O-CG2 3.34Å; Y97-V128 PolarHBondContact O-N 2.92Å; Y97-L130 HydrophobicContact CD1-CD2 4.04Å; Y97-L130 HydrophobicContact CD2-CD2 3.46Å; Y97-L130 VanDerWaalsContact CD2-CD2 3.46Å; Y97-L130 HydrophobicContact CE1-CD2 4Å; Y97-L130 HydrophobicContact CE2-CD2 3.4Å; Y97-L130 VanDerWaalsContact CE2-CD2 3.4Å; Y97-L130 HydrophobicContact CG-CD2 3.79Å; Y97-F131 AromaticContact CD1-CD1 3.87Å; Y97-F131 HydrophobicContact CD1-CD1 3.87Å; Y97-F131 AromaticContact CD1-CE1 3.89Å; Y97-F131 HydrophobicContact CD1-CE1 3.89Å; Y97-F131 HydrophobicContact CE1-CD1 4.16Å; Y97-F131 HydrophobicContact CE1-CE1 4.3Å; Y97-K136 PolarHBondContact OH-NZ 2.83Å
98	T	97.4	Very high	96.6	Very high	56 Å²	56	50.5 Å²	50.5	34%	0.344	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.8	168.3	-54.1	0	0	0	0	109.7	Y94 V95 N96 V100 G125	Y94-T98 CarbonylContact C-O 3.58Å; Y94-T98 VanDerWaalsContact CA-O 3.3Å; Y94-T98 WeakPolarHBondContact CA-O 3.45Å; V95-T98 PolarHBondContact N-O 3.13Å; V95-T98 PolarHBondContact O-N 2.85Å; N96-T98 PolarHBondContact O-N 2.96Å; T98-V100 PolarHBondContact O-N 2.82Å; T98-G125 WeakPolarHBondContact CG2-O 3.16Å
99	R	97.8	Very high	96.6	Very high	24 Å²	24	47.5 Å²	47.5	9%	0.091	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	129.3	177.6	-170.5	175.4	176.8	157.1	9.6	109.3	D87 S89 M90 G92 Y94 M101 G119 L122 G125 E126	D87-R99 IonicContact OD2-CZ 3.18Å; D87-R99 VanDerWaalsContact OD2-CZ 3.31Å; D87-R99 IonicContact OD2-NE 3.32Å; D87-R99 PolarHBondContact OD2-NE 2.95Å; D87-R99 IonicContact OD2-NH2 2.94Å; D87-R99 PolarHBondContact OD2-NH2 2.94Å; S89-R99 PolarHBondContact O-NH2 2.66Å; M90-R99 PolarHBondContact O-NH1 3.25Å; G92-R99 VanDerWaalsContact CA-CZ 3.45Å; Y94-R99 HydrophobicContact CD1-CB 3.96Å; Y94-R99 HydrophobicContact CE1-CB 3.68Å; Y94-R99 HydrophobicContact CE1-CG 4.17Å; R99-M101 PolarHBondContact O-N 2.87Å; R99-G119 PolarHBondContact NH1-O 3.48Å; R99-G119 VanDerWaalsContact NH1-O 3.11Å; R99-L122 WeakPolarHBondContact CD-O 3.44Å; R99-L122 PolarHBondContact NH1-O 3.12Å; R99-G125 VanDerWaalsContact O-CA 3.31Å; R99-G125 WeakPolarHBondContact O-CA 3.46Å; R99-G125 PolarHBondContact O-N 3.45Å; R99-E126 PolarHBondContact N-O 3.45Å
100	V	97.8	Very high	96.7	Very high	4 Å²	4	48 Å²	48	2%	0.024	27%	0.27	C	S	.	.			trans	-56.1	130.4	179.1	165.5	0	0	0	0	110.3	L85 D87 T93 V95 T98 G102 V104	L85-V100 HydrophobicContact CD2-CG2 4.2Å; L85-V100 HydrophobicContact CG-CG2 4.45Å; L85-V100 WeakPolarHBondContact O-CG1 3.23Å; D87-V100 HydrophobicContact CB-CB 4.01Å; D87-V100 HydrophobicContact CB-CG1 4.03Å; T93-V100 HydrophobicContact CG2-CG2 4.39Å; T93-V100 WeakPolarHBondContact O-CG2 3.25Å; T93-V100 PolarHBondContact O-N 3.24Å; V95-V100 HydrophobicContact CB-CG2 4.4Å; V95-V100 HydrophobicContact CG2-CG2 3.65Å; T98-V100 PolarHBondContact O-N 2.82Å; V100-G102 WeakPolarHBondContact CG1-O 3.44Å; V100-V104 HydrophobicContact CB-CG2 4.39Å; V100-V104 HydrophobicContact CG1-CG2 4.05Å; V100-V104 HydrophobicContact CG2-CB 4.47Å; V100-V104 HydrophobicContact CG2-CG2 4.22Å
101	M	95.5	Very high	96.8	Very high	127 Å²	127	43.5 Å²	43.5	63%	0.626	25%	0.248	S	C	*	.			trans	-114.2	108.9	178.4	-175.3	172.1	61.3	0	0	109.5	R99 G103 P124	R99-M101 PolarHBondContact O-N 2.87Å; M101-G103 PolarHBondContact O-N 2.77Å; M101-P124 HydrophobicContact CB-CB 4.19Å; M101-P124 HydrophobicContact CG-CB 4.15Å
102	G	94.1	Very high	96.9	Very high	56 Å²	56	42.8 Å²	42.8	58%	0.577	24%	0.244	S	C	*	.	S	Bend	trans	64.8	-115	-171	0	0	0	0	0	110.5	Y86 V100	Y86-G102 WeakPolarHBondContact CD1-O 3.23Å; V100-G102 WeakPolarHBondContact CG1-O 3.44Å
103	G	95.1	Very high	96.9	Very high	35 Å²	35	42.8 Å²	42.8	36%	0.361	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.6	176.5	0	0	0	0	0	112.2	L85 Y86 M101	L85-G103 WeakPolarHBondContact O-CA 3.49Å; Y86-G103 VanDerWaalsContact CE1-CA 3.47Å; M101-G103 PolarHBondContact O-N 2.77Å
104	V	96.7	Very high	96.8	Very high	44 Å²	44	42.8 Å²	42.8	27%	0.267	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.7	178.3	171.9	0	0	0	0	110.5	I84 L85 V95 V100 L106	I84-V104 WeakPolarHBondContact CA-O 3.36Å; L85-V104 PolarHBondContact N-O 3.42Å; L85-V104 PolarHBondContact O-N 2.96Å; V95-V104 HydrophobicContact CB-CG1 4.3Å; V95-V104 HydrophobicContact CG1-CG1 4.22Å; V95-V104 HydrophobicContact CG2-CG1 4.14Å; V100-V104 HydrophobicContact CB-CG2 4.39Å; V100-V104 HydrophobicContact CG1-CG2 4.05Å; V100-V104 HydrophobicContact CG2-CB 4.47Å; V100-V104 HydrophobicContact CG2-CG2 4.22Å; V104-L106 PolarHBondContact O-N 3.49Å
105	T	95.9	Very high	96.7	Very high	78 Å²	78	42.8 Å²	42.8	48%	0.479	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	116.5	175	-53	0	0	0	0	110.8	S83	S83-T105 WeakPolarHBondContact O-CA 3.49Å
106	L	96.6	Very high	96.6	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.026	25%	0.248	C	C	.	.			trans	-73.7	140.1	-178.8	-61.4	178.9	0	0	0	112.2	V4 L6 I75 S83 L85 V95 V104 V112 V139	V4-L106 HydrophobicContact CG1-CD1 4.14Å; L6-L106 HydrophobicContact CD2-CD1 4.37Å; I75-L106 HydrophobicContact CD1-CD1 4.27Å; I75-L106 HydrophobicContact CG2-CD1 4.12Å; S83-L106 PolarHBondContact O-N 3.2Å; L85-L106 HydrophobicContact CB-CD1 4.15Å; L85-L106 HydrophobicContact CB-CD2 3.81Å; L85-L106 HydrophobicContact CB-CG 4Å; L85-L106 HydrophobicContact CD2-CD2 4.03Å; V95-L106 HydrophobicContact CG2-CD2 4.16Å; V104-L106 PolarHBondContact O-N 3.49Å; L106-V112 HydrophobicContact CD2-CG2 4.23Å; L106-V139 HydrophobicContact CB-CG1 4.21Å; L106-V139 HydrophobicContact CB-CG2 4.39Å; L106-V139 HydrophobicContact CD1-CG2 4.39Å; L106-V139 HydrophobicContact CD2-CG2 4.18Å
107	K	95.4	Very high	96.3	Very high	141 Å²	141	46.1 Å²	46.1	61%	0.613	26%	0.26	S	S	*	.			trans	-117.9	155.4	176.3	-59	173.7	-175.3	172.2	0	110.7	G109 D110 V139	K107-G109 PolarHBondContact O-N 2.62Å; K107-D110 WeakPolarHBondContact CA-OD2 3.47Å; K107-D110 WeakPolarHBondContact CB-OD2 3.38Å; K107-D110 PolarHBondContact N-OD2 2.9Å; K107-D110 WeakPolarHBondContact O-CB 3.46Å; K107-D110 PolarHBondContact O-N 3.23Å; K107-V139 VanDerWaalsContact O-CB 3.26Å; K107-V139 WeakPolarHBondContact O-CB 3.4Å; K107-V139 WeakPolarHBondContact O-CG1 3.47Å
108	H	95.5	Very high	96.1	Very high	126 Å²	126	47.8 Å²	47.8	58%	0.583	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	128.9	172.7	-174.6	112.1	0	0	0	109.6	L141	H108-L141 HydrophobicContact CB-CB 4.13Å; H108-L141 HydrophobicContact CB-CD1 4.27Å; H108-L141 HydrophobicContact CB-CG 4.04Å; H108-L141 PolarHBondContact ND1-N 3.42Å; H108-L141 PolarHBondContact ND1-O 3.33Å
109	G	96.8	Very high	95.9	Very high	25 Å²	25	45.1 Å²	45.1	26%	0.258	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.5	-16.7	179.7	0	0	0	0	0	115.4	K107 R138 V139	K107-G109 PolarHBondContact O-N 2.62Å; G109-R138 PolarHBondContact O-NH1 3.01Å; G109-V139 PolarHBondContact N-O 2.93Å
110	D	97.9	Very high	95.6	Very high	20 Å²	20	46.9 Å²	46.9	11%	0.107	28%	0.276	C	S	.	.			trans	-56.4	148.1	178.5	-77.9	-24.4	0	0	0	112	V95 N96 K107 R138 V139	V95-D110 HydrophobicContact CG1-CB 4.34Å; N96-D110 PolarHBondContact ND2-OD1 3.03Å; K107-D110 WeakPolarHBondContact CA-OD2 3.47Å; K107-D110 WeakPolarHBondContact CB-OD2 3.38Å; K107-D110 PolarHBondContact N-OD2 2.9Å; K107-D110 WeakPolarHBondContact O-CB 3.46Å; K107-D110 PolarHBondContact O-N 3.23Å; D110-R138 CarbonylContact O-C 3.58Å; D110-R138 WeakPolarHBondContact O-CA 3.25Å; D110-V139 HydrophobicContact CB-CB 4.14Å; D110-V139 HydrophobicContact CB-CG2 3.76Å; D110-V139 PolarHBondContact O-N 3.31Å
111	I	97.8	Very high	95.5	Very high	22 Å²	22	52.6 Å²	52.6	11%	0.113	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.8	175.2	-53.2	-55.3	0	0	0	109.6	I9 V95 N96 K136 Y137 R138	I9-I111 HydrophobicContact CD1-CD1 3.9Å; V95-I111 CarbonylContact C-O 3.59Å; V95-I111 WeakPolarHBondContact CA-O 3.45Å; N96-I111 PolarHBondContact N-O 2.87Å; N96-I111 PolarHBondContact OD1-N 3.13Å; I111-K136 HydrophobicContact CG2-CD 4.03Å; I111-K136 HydrophobicContact CG2-CG 3.77Å; I111-Y137 CarbonylContact C-O 3.55Å; I111-Y137 WeakPolarHBondContact CA-O 3.34Å; I111-R138 HydrophobicContact CD1-CB 4.35Å; I111-R138 HydrophobicContact CD1-CG 4.36Å
112	V	98.2	Very high	95.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.8	176.5	-177.5	0	0	0	0	109.6	L6 L85 T93 Y94 V95 L106 F114 K136 Y137 V139	L6-V112 HydrophobicContact CD1-CB 4.49Å; L6-V112 HydrophobicContact CD1-CG1 4.34Å; L6-V112 HydrophobicContact CD2-CG2 4.12Å; L85-V112 HydrophobicContact CD2-CG1 3.79Å; L85-V112 HydrophobicContact CD2-CG2 4.2Å; T93-V112 HydrophobicContact CG2-CG1 4.45Å; Y94-V112 CarbonylContact O-C 3.51Å; Y94-V112 VanDerWaalsContact O-CA 3.31Å; Y94-V112 WeakPolarHBondContact O-CA 3.46Å; V95-V112 HydrophobicContact CG2-CG2 4.45Å; L106-V112 HydrophobicContact CD2-CG2 4.23Å; V112-F114 HydrophobicContact CG1-CE1 4.01Å; V112-F114 HydrophobicContact CG1-CE2 3.97Å; V112-F114 HydrophobicContact CG1-CZ 3.65Å; V112-K136 WeakPolarHBondContact O-CA 3.42Å; V112-Y137 PolarHBondContact N-O 2.82Å; V112-Y137 PolarHBondContact O-N 2.88Å; V112-V139 HydrophobicContact CG2-CG2 3.78Å
113	C	97.5	Very high	95.5	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.007	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.4	172	-52.8	0	0	0	0	110.1	Y94 F131	Y94-C113 PolarHBondContact N-O 3.07Å; Y94-C113 PolarHBondContact O-N 2.8Å; C113-F131 HydrophobicContact CB-CE2 4.27Å; C113-F131 HydrophobicContact CB-CZ 3.69Å
114	F	97.2	Very high	95.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	113.1	176.5	-60.1	-74.2	0	0	0	110.7	L6 I35 I46 I59 I68 H72 A73 T93 V112 L135 Y137	L6-F114 HydrophobicContact CD1-CE2 3.93Å; L6-F114 HydrophobicContact CD1-CZ 3.65Å; I35-F114 HydrophobicContact CD1-CE2 4.38Å; I46-F114 HydrophobicContact CD1-CE1 4.04Å; I46-F114 HydrophobicContact CD1-CZ 3.66Å; I46-F114 HydrophobicContact CG2-CD1 4.49Å; I46-F114 HydrophobicContact CG2-CE1 4.21Å; I46-F114 HydrophobicContact CG2-CZ 4.24Å; I59-F114 HydrophobicContact CD1-CB 3.74Å; I59-F114 HydrophobicContact CD1-CD1 4.45Å; I59-F114 HydrophobicContact CD1-CD2 3.86Å; I59-F114 HydrophobicContact CD1-CG 3.76Å; I68-F114 HydrophobicContact CD1-CB 4.34Å; I68-F114 WeakPolarHBondContact CD1-O 3.38Å; H72-F114 AromaticContact CD2-CD1 3.85Å; A73-F114 HydrophobicContact CB-CD1 4.22Å; A73-F114 HydrophobicContact CB-CE1 3.81Å; T93-F114 HydrophobicContact CG2-CD1 3.82Å; T93-F114 HydrophobicContact CG2-CE1 3.84Å; V112-F114 HydrophobicContact CG1-CE1 4.01Å; V112-F114 HydrophobicContact CG1-CE2 3.97Å; V112-F114 HydrophobicContact CG1-CZ 3.65Å; F114-L135 HydrophobicContact CB-CB 4.26Å; F114-L135 PolarHBondContact N-O 3.25Å; F114-Y137 AromaticContact CD2-CD2 3.85Å; F114-Y137 HydrophobicContact CD2-CD2 3.85Å; F114-Y137 AromaticContact CD2-CE2 3.71Å; F114-Y137 HydrophobicContact CD2-CE2 3.71Å; F114-Y137 AromaticContact CE2-CD2 3.7Å; F114-Y137 HydrophobicContact CE2-CD2 3.7Å; F114-Y137 AromaticContact CE2-CE2 3.8Å; F114-Y137 HydrophobicContact CE2-CE2 3.8Å; F114-Y137 HydrophobicContact CE2-CG 4.47Å
115	G	95.8	Very high	95.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.294	C	S	.	.			trans	80.5	151.5	-176.4	0	0	0	0	0	114.4	H72 G92	H72-G115 PolarHBondContact CE1-N 3.02Å; H72-G115 PolarHBondContact NE2-N 3.19Å; G92-G115 VanDerWaalsContact O-CA 3.24Å; G92-G115 WeakPolarHBondContact O-CA 3.24Å; G92-G115 PolarHBondContact O-N 3.14Å
116	H	94.8	Very high	95.4	Very high	34 Å²	34	53.1 Å²	53.1	16%	0.157	29%	0.288	C	S	.	.			trans	-144.3	147.5	171	177.5	-117.4	0	0	0	109.8	N91 Y94 N118 G119 L122 F131	N91-H116 PolarHBondContact O-N 2.64Å; Y94-H116 HydrophobicContact CD2-CB 4.38Å; Y94-H116 HydrophobicContact CE2-CB 3.46Å; Y94-H116 VanDerWaalsContact CE2-CB 3.46Å; H116-N118 VanDerWaalsContact C-N 3.31Å; H116-N118 PolarHBondContact ND1-N 3.32Å; H116-N118 PolarHBondContact O-N 2.87Å; H116-G119 WeakPolarHBondContact O-CA 3.18Å; H116-G119 PolarHBondContact O-N 2.85Å; H116-L122 VanDerWaalsContact ND1-CD1 3.29Å; H116-L122 WeakPolarHBondContact ND1-CD1 3.45Å; H116-F131 HydrophobicContact CB-CE2 4.42Å; H116-F131 HydrophobicContact CB-CZ 4.28Å; H116-F131 AromaticContact CD2-CD1 3.85Å; H116-F131 AromaticContact CD2-CD2 3.7Å; H116-F131 AromaticContact CD2-CE2 3.84Å; H116-F131 AromaticContact CD2-CG 3.69Å
117	L	91.3	Very high	95.4	Very high	124 Å²	124	57.2 Å²	57.2	65%	0.649	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-39.1	-177.7	-80.8	160.7	0	0	0	113.4	I63 G119	I63-L117 HydrophobicContact CG2-CD1 4.21Å; I63-L117 HydrophobicContact CG2-CD2 3.84Å; I63-L117 HydrophobicContact CG2-CG 4.17Å; L117-G119 VanDerWaalsContact C-N 3.34Å
118	N	92.4	Very high	95.4	Very high	81 Å²	81	51.5 Å²	51.5	43%	0.433	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	18.6	174.5	-164.9	36.7	0	0	0	112.6	H116 A120 N121	H116-N118 VanDerWaalsContact C-N 3.31Å; H116-N118 PolarHBondContact ND1-N 3.32Å; H116-N118 PolarHBondContact O-N 2.87Å; N118-A120 VanDerWaalsContact C-N 3.35Å; N118-A120 PolarHBondContact O-N 2.94Å; N118-N121 PolarHBondContact O-N 3.36Å; N118-N121 VanDerWaalsContact O-N 3.14Å; N118-N121 PolarHBondContact OD1-ND2 3.22Å
119	G	93	Very high	95.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-59	-38.2	-166.7	0	0	0	0	0	115.3	N91 R99 H116 L117 N121 L122	N91-G119 VanDerWaalsContact O-CA 3.25Å; N91-G119 WeakPolarHBondContact O-CA 3.44Å; R99-G119 PolarHBondContact NH1-O 3.48Å; R99-G119 VanDerWaalsContact NH1-O 3.11Å; H116-G119 WeakPolarHBondContact O-CA 3.18Å; H116-G119 PolarHBondContact O-N 2.85Å; L117-G119 VanDerWaalsContact C-N 3.34Å; G119-N121 PolarHBondContact O-N 3.43Å; G119-L122 PolarHBondContact O-N 2.78Å
120	A	93.5	Very high	95.2	Very high	62 Å²	62	55.2 Å²	55.2	51%	0.512	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-62.3	-23.3	179	0	0	0	0	0	114.1	M90 N118	M90-A120 HydrophobicContact CG-CB 4.36Å; N118-A120 VanDerWaalsContact C-N 3.35Å; N118-A120 PolarHBondContact O-N 2.94Å
121	N	94.7	Very high	95	Very high	124 Å²	124	55.7 Å²	55.7	66%	0.663	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-93.1	-8.5	-178.9	-67.3	-47.8	0	0	0	113.7	N118 G119	N118-N121 PolarHBondContact O-N 3.36Å; N118-N121 VanDerWaalsContact O-N 3.14Å; N118-N121 PolarHBondContact OD1-ND2 3.22Å; G119-N121 PolarHBondContact O-N 3.43Å
122	L	94.3	Very high	94.7	Very high	18 Å²	18	59.3 Å²	59.3	9%	0.094	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-99.8	129	-173.2	-70.4	158.2	0	0	0	111.3	Y94 R99 H116 G119 E126 V128	Y94-L122 HydrophobicContact CE1-CD1 4.45Å; Y94-L122 WeakPolarHBondContact OH-CD1 3.3Å; R99-L122 WeakPolarHBondContact CD-O 3.44Å; R99-L122 PolarHBondContact NH1-O 3.12Å; H116-L122 VanDerWaalsContact ND1-CD1 3.29Å; H116-L122 WeakPolarHBondContact ND1-CD1 3.45Å; G119-L122 PolarHBondContact O-N 2.78Å; L122-E126 HydrophobicContact CD2-CG 4.18Å; L122-V128 HydrophobicContact CD1-CG1 3.43Å; L122-V128 VanDerWaalsContact CD1-CG1 3.43Å; L122-V128 HydrophobicContact CD2-CG1 3.9Å; L122-V128 HydrophobicContact CG-CG1 4.26Å
123	K	94.6	Very high	94.4	Very high	150 Å²	150	59.3 Å²	59.3	65%	0.652	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-79.3	152.7	-175.7	-65.8	173.1	-176.3	171.2	0	111.7	G125 E126	K123-G125 PolarHBondContact O-N 3.08Å; K123-E126 HydrophobicContact CB-CB 4.41Å; K123-E126 WeakPolarHBondContact CB-OE2 3.4Å; K123-E126 PolarHBondContact N-OE2 3.2Å; K123-E126 WeakPolarHBondContact O-CB 3.31Å; K123-E126 PolarHBondContact O-N 3.04Å
124	P	95.7	Very high	94.2	Very high	77 Å²	77	59.5 Å²	59.5	50%	0.5	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	130.4	169.4	-24.3	34.8	0	0	0	110.6	M101	M101-P124 HydrophobicContact CB-CB 4.19Å; M101-P124 HydrophobicContact CG-CB 4.15Å
125	G	95.9	Very high	94.1	Very high	32 Å²	32	59.5 Å²	59.5	33%	0.33	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	-4.6	-175.2	0	0	0	0	0	115.1	T98 R99 K123	T98-G125 WeakPolarHBondContact CG2-O 3.16Å; R99-G125 VanDerWaalsContact O-CA 3.31Å; R99-G125 WeakPolarHBondContact O-CA 3.46Å; R99-G125 PolarHBondContact O-N 3.45Å; K123-G125 PolarHBondContact O-N 3.08Å
126	E	95.6	Very high	94.1	Very high	73 Å²	73	59.7 Å²	59.7	34%	0.341	34%	0.336	S	S	.	.			trans	-79.4	129.9	179.2	-163.5	168.3	175.2	0	0	111.3	R99 L122 K123	R99-E126 PolarHBondContact N-O 3.45Å; L122-E126 HydrophobicContact CD2-CG 4.18Å; K123-E126 HydrophobicContact CB-CB 4.41Å; K123-E126 WeakPolarHBondContact CB-OE2 3.4Å; K123-E126 PolarHBondContact N-OE2 3.2Å; K123-E126 WeakPolarHBondContact O-CB 3.31Å; K123-E126 PolarHBondContact O-N 3.04Å
127	P	96.4	Very high	94.3	Very high	91 Å²	91	58 Å²	58	59%	0.591	33%	0.329	S	S	*	.	B	Isolated β-bridge	trans	-75.9	145.7	173.6	32.1	-34.3	0	0	0	111.1	Y97	Y97-P127 WeakPolarHBondContact O-CA 3.07Å
128	V	95.5	Very high	94.6	Very high	22 Å²	22	57.2 Å²	57.2	13%	0.133	32%	0.317	C	S	.	.			trans	-114.3	156.2	172.7	-63.7	0	0	0	0	111.1	Y94 Y97 L122 F131	Y94-V128 HydrophobicContact CD1-CG1 4.32Å; Y94-V128 HydrophobicContact CD1-CG2 3.97Å; Y94-V128 HydrophobicContact CE1-CG1 3.73Å; Y94-V128 HydrophobicContact CE1-CG2 4.16Å; Y97-V128 WeakPolarHBondContact O-CG2 3.34Å; Y97-V128 PolarHBondContact O-N 2.92Å; L122-V128 HydrophobicContact CD1-CG1 3.43Å; L122-V128 VanDerWaalsContact CD1-CG1 3.43Å; L122-V128 HydrophobicContact CD2-CG1 3.9Å; L122-V128 HydrophobicContact CG-CG1 4.26Å; V128-F131 HydrophobicContact CG2-CD1 3.91Å; V128-F131 HydrophobicContact CG2-CE1 3.72Å
129	A	94	Very high	94.8	Very high	84 Å²	84	53.4 Å²	53.4	69%	0.694	30%	0.297	S	S	*	.			trans	-60.6	157	166.6	0	0	0	0	0	110.8	F131	A129-F131 PolarHBondContact O-N 3.35Å
130	L	93.4	Very high	95	Very high	144 Å²	144	55.8 Å²	55.8	75%	0.754	31%	0.308	S	S	*	.			trans	-58.6	125.9	173.3	-60.6	177.8	0	0	0	109.7	Y97	Y97-L130 HydrophobicContact CD1-CD2 4.04Å; Y97-L130 HydrophobicContact CD2-CD2 3.46Å; Y97-L130 VanDerWaalsContact CD2-CD2 3.46Å; Y97-L130 HydrophobicContact CE1-CD2 4Å; Y97-L130 HydrophobicContact CE2-CD2 3.4Å; Y97-L130 VanDerWaalsContact CE2-CD2 3.4Å; Y97-L130 HydrophobicContact CG-CD2 3.79Å
131	F	93	Very high	95	Very high	30 Å²	30	55.6 Å²	55.6	13%	0.132	30%	0.298	C	S	.	.			trans	-131.5	145.3	179.2	69.8	-82.8	0	0	0	110.4	Y94 Y97 C113 H116 V128 A129 K136	Y94-F131 HydrophobicContact CD2-CZ 4.3Å; Y97-F131 AromaticContact CD1-CD1 3.87Å; Y97-F131 HydrophobicContact CD1-CD1 3.87Å; Y97-F131 AromaticContact CD1-CE1 3.89Å; Y97-F131 HydrophobicContact CD1-CE1 3.89Å; Y97-F131 HydrophobicContact CE1-CD1 4.16Å; Y97-F131 HydrophobicContact CE1-CE1 4.3Å; C113-F131 HydrophobicContact CB-CE2 4.27Å; C113-F131 HydrophobicContact CB-CZ 3.69Å; H116-F131 HydrophobicContact CB-CE2 4.42Å; H116-F131 HydrophobicContact CB-CZ 4.28Å; H116-F131 AromaticContact CD2-CD1 3.85Å; H116-F131 AromaticContact CD2-CD2 3.7Å; H116-F131 AromaticContact CD2-CE2 3.84Å; H116-F131 AromaticContact CD2-CG 3.69Å; V128-F131 HydrophobicContact CG2-CD1 3.91Å; V128-F131 HydrophobicContact CG2-CE1 3.72Å; A129-F131 PolarHBondContact O-N 3.35Å; F131-K136 PolarHBondContact O-NZ 3.31Å
132	Y	92.1	Very high	94.7	Very high	99 Å²	99	52.7 Å²	52.7	39%	0.388	29%	0.287	S	S	.	.			trans	-76.6	143.3	172.7	-57.3	-72.1	0	0	0	110.3	D11 Q14 D15	D11-Y132 HydrophobicContact CB-CD1 4.29Å; D11-Y132 VanDerWaalsContact O-CD1 3.23Å; D11-Y132 WeakPolarHBondContact O-CD1 3.08Å; D11-Y132 WeakPolarHBondContact OD1-CA 3.5Å; Q14-Y132 HydrophobicContact CB-CD1 3.94Å; Q14-Y132 HydrophobicContact CB-CE1 3.6Å; D15-Y132 HydrophobicContact CB-CD2 3.54Å; D15-Y132 HydrophobicContact CB-CE2 4.17Å; D15-Y132 HydrophobicContact CB-CG 4.01Å; D15-Y132 WeakPolarHBondContact OD2-CD2 3.49Å
133	S	92.7	Very high	94.1	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.316	C	S	.	.			trans	-151.9	137.2	-179.7	178.5	0	0	0	0	112	G10 D11 L135 K136	G10-S133 WeakPolarHBondContact CA-O 3.32Å; D11-S133 PolarHBondContact N-O 2.85Å; D11-S133 VanDerWaalsContact N-O 3.16Å; D11-S133 PolarHBondContact OD1-N 3Å; S133-L135 PolarHBondContact O-N 3.26Å; S133-L135 PolarHBondContact OG-N 2.83Å; S133-K136 WeakPolarHBondContact O-CB 3.45Å
134	D	92.1	Very high	92.5	Very high	5 Å²	5	53 Å²	53	3%	0.027	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-12.8	174.1	73.7	-49.2	0	0	0	113.1	W8 L12 R31 S61 C62	W8-D134 PolarHBondContact NE1-O 2.99Å; L12-D134 HydrophobicContact CB-CB 4.13Å; L12-D134 HydrophobicContact CD2-CB 4.01Å; R31-D134 WeakPolarHBondContact CD-O 3.49Å; R31-D134 IonicContact CZ-OD2 3.64Å; R31-D134 PolarHBondContact NE-O 2.92Å; R31-D134 IonicContact NE-OD2 2.72Å; R31-D134 PolarHBondContact NE-OD2 2.8Å; R31-D134 IonicContact NH2-OD2 3.72Å; R31-D134 PolarHBondContact NH2-OD2 3.43Å; S61-D134 VanDerWaalsContact CA-OD2 3.23Å; S61-D134 WeakPolarHBondContact CA-OD2 3.47Å; S61-D134 WeakPolarHBondContact CB-OD1 3.26Å; S61-D134 PolarHBondContact OG-OD1 2.93Å; S61-D134 PolarHBondContact OG-OD2 2.99Å; C62-D134 PolarHBondContact N-OD2 2.92Å; C62-D134 PolarHBondContact SG-OD2 3.24Å
135	L	95.2	Very high	90.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	41.4	175.6	-66.7	172.1	0	0	0	111.5	R31 I59 I68 F114 S133 Y137	R31-L135 HydrophobicContact CG-CD2 4.37Å; I59-L135 HydrophobicContact CB-CD2 4.14Å; I59-L135 HydrophobicContact CD1-CD1 4.11Å; I59-L135 HydrophobicContact CD1-CD2 4.35Å; I59-L135 HydrophobicContact CG1-CD1 4.38Å; I68-L135 HydrophobicContact CD1-CD1 3.52Å; I68-L135 HydrophobicContact CG1-CD1 3.74Å; F114-L135 HydrophobicContact CB-CB 4.26Å; F114-L135 PolarHBondContact N-O 3.25Å; S133-L135 PolarHBondContact O-N 3.26Å; S133-L135 PolarHBondContact OG-N 2.83Å; L135-Y137 HydrophobicContact CB-CE2 4.23Å; L135-Y137 HydrophobicContact CD2-CE2 4.32Å; L135-Y137 VanDerWaalsContact O-CD2 3.31Å; L135-Y137 WeakPolarHBondContact O-CD2 3.3Å; L135-Y137 WeakPolarHBondContact O-CE2 3.38Å
136	K	96.2	Very high	88.2	Confident	3 Å²	3	59.6 Å²	59.6	1%	0.013	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135	171.3	-169.7	173.7	-64.8	179	0	111.7	I9 G10 D11 Y97 I111 V112 F131 S133	I9-K136 HydrophobicContact CD1-CD 4.31Å; I9-K136 HydrophobicContact CD1-CG 4.07Å; I9-K136 HydrophobicContact CG1-CB 4.49Å; I9-K136 HydrophobicContact CG1-CG 4.01Å; I9-K136 PolarHBondContact N-O 2.73Å; G10-K136 PolarHBondContact N-O 2.97Å; D11-K136 WeakPolarHBondContact OD1-CE 3.43Å; D11-K136 IonicContact OD1-NZ 2.78Å; D11-K136 PolarHBondContact OD1-NZ 3.06Å; D11-K136 IonicContact OD2-NZ 2.94Å; D11-K136 PolarHBondContact OD2-NZ 2.86Å; Y97-K136 PolarHBondContact OH-NZ 2.83Å; I111-K136 HydrophobicContact CG2-CD 4.03Å; I111-K136 HydrophobicContact CG2-CG 3.77Å; V112-K136 WeakPolarHBondContact O-CA 3.42Å; F131-K136 PolarHBondContact O-NZ 3.31Å; S133-K136 WeakPolarHBondContact O-CB 3.45Å
137	Y	98.1	Very high	85.9	Confident	0 Å²	0	66 Å²	66	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	153.9	-175.4	-61.5	-103.8	0	0	0	111.3	L6 R7 W8 P32 I35 I111 V112 F114 L135	L6-Y137 HydrophobicContact CB-CD1 3.88Å; L6-Y137 HydrophobicContact CB-CG 4.08Å; R7-Y137 CarbonylContact O-C 3.5Å; R7-Y137 WeakPolarHBondContact O-CA 3.39Å; R7-Y137 WeakPolarHBondContact O-CB 3.47Å; W8-Y137 HydrophobicContact CB-CD1 4Å; W8-Y137 HydrophobicContact CB-CE1 3.82Å; W8-Y137 AromaticContact CD1-CZ 3.94Å; W8-Y137 HydrophobicContact CG-CE1 4.38Å; P32-Y137 WeakPolarHBondContact O-CE1 3.34Å; I35-Y137 HydrophobicContact CD1-CE1 3.87Å; I35-Y137 HydrophobicContact CG1-CE1 4.18Å; I111-Y137 CarbonylContact C-O 3.55Å; I111-Y137 WeakPolarHBondContact CA-O 3.34Å; V112-Y137 PolarHBondContact N-O 2.82Å; V112-Y137 PolarHBondContact O-N 2.88Å; F114-Y137 AromaticContact CD2-CD2 3.85Å; F114-Y137 HydrophobicContact CD2-CD2 3.85Å; F114-Y137 AromaticContact CD2-CE2 3.71Å; F114-Y137 HydrophobicContact CD2-CE2 3.71Å; F114-Y137 AromaticContact CE2-CD2 3.7Å; F114-Y137 HydrophobicContact CE2-CD2 3.7Å; F114-Y137 AromaticContact CE2-CE2 3.8Å; F114-Y137 HydrophobicContact CE2-CE2 3.8Å; F114-Y137 HydrophobicContact CE2-CG 4.47Å; L135-Y137 HydrophobicContact CB-CE2 4.23Å; L135-Y137 HydrophobicContact CD2-CE2 4.32Å; L135-Y137 VanDerWaalsContact O-CD2 3.31Å; L135-Y137 WeakPolarHBondContact O-CD2 3.3Å; L135-Y137 WeakPolarHBondContact O-CE2 3.38Å
138	R	98	Very high	83.5	Confident	107 Å²	107	70.2 Å²	70.2	40%	0.404	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.8	167.4	-175.7	179.5	-63.4	-79.1	8.3	110.3	L6 R7 I9 G109 D110 I111	L6-R138 WeakPolarHBondContact CA-O 3.39Å; R7-R138 PolarHBondContact N-O 3.05Å; R7-R138 PolarHBondContact O-N 2.83Å; I9-R138 HydrophobicContact CD1-CB 4.28Å; I9-R138 HydrophobicContact CG2-CB 4.14Å; G109-R138 PolarHBondContact O-NH1 3.01Å; D110-R138 CarbonylContact O-C 3.58Å; D110-R138 WeakPolarHBondContact O-CA 3.25Å; I111-R138 HydrophobicContact CD1-CB 4.35Å; I111-R138 HydrophobicContact CD1-CG 4.36Å
139	V	97.8	Very high	80.9	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	127.5	172.9	-178.4	0	0	0	0	110.6	V4 T5 L6 L106 K107 G109 D110 V112 L141	V4-V139 HydrophobicContact CG1-CG1 4.22Å; T5-V139 CarbonylContact O-C 3.48Å; T5-V139 WeakPolarHBondContact O-CA 3.47Å; L6-V139 HydrophobicContact CD2-CB 4.41Å; L6-V139 HydrophobicContact CD2-CG2 3.67Å; L106-V139 HydrophobicContact CB-CG1 4.21Å; L106-V139 HydrophobicContact CB-CG2 4.39Å; L106-V139 HydrophobicContact CD1-CG2 4.39Å; L106-V139 HydrophobicContact CD2-CG2 4.18Å; K107-V139 VanDerWaalsContact O-CB 3.26Å; K107-V139 WeakPolarHBondContact O-CB 3.4Å; K107-V139 WeakPolarHBondContact O-CG1 3.47Å; G109-V139 PolarHBondContact N-O 2.93Å; D110-V139 HydrophobicContact CB-CB 4.14Å; D110-V139 HydrophobicContact CB-CG2 3.76Å; D110-V139 PolarHBondContact O-N 3.31Å; V112-V139 HydrophobicContact CG2-CG2 3.78Å; V139-L141 HydrophobicContact CG1-CD2 3.83Å; V139-L141 HydrophobicContact CG1-CG 4.21Å
140	E	96.2	Very high	78.7	Confident	51 Å²	51	78.1 Å²	78.1	24%	0.238	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113.3	167.2	-73.5	172.2	-167.4	0	0	109.1	T5 R7	T5-E140 HydrophobicContact CG2-CB 4.48Å; T5-E140 PolarHBondContact N-O 3.4Å; T5-E140 PolarHBondContact O-N 3.32Å; R7-E140 WeakPolarHBondContact CD-OE1 3.17Å; R7-E140 IonicContact CZ-OE1 3.32Å; R7-E140 IonicContact CZ-OE2 2.72Å; R7-E140 VanDerWaalsContact NE-CD 3.27Å; R7-E140 IonicContact NE-OE1 3.12Å; R7-E140 PolarHBondContact NE-OE1 3.44Å; R7-E140 IonicContact NE-OE2 2.95Å; R7-E140 PolarHBondContact NE-OE2 2.85Å; R7-E140 VanDerWaalsContact NE-OE2 3.12Å; R7-E140 IonicContact NH2-OE1 2.69Å; R7-E140 IonicContact NH2-OE2 3.42Å; R7-E140 PolarHBondContact NH2-OE2 3.17Å
141	L	93.1	Very high	76.5	Confident	57 Å²	57	78 Å²	78	30%	0.298	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	136.8	167	-51.8	-178.3	0	0	0	109.1	V4 H108 V139	V4-L141 HydrophobicContact CB-CD2 4.16Å; V4-L141 HydrophobicContact CG1-CD2 3.86Å; V4-L141 HydrophobicContact CG2-CD2 3.58Å; H108-L141 HydrophobicContact CB-CB 4.13Å; H108-L141 HydrophobicContact CB-CD1 4.27Å; H108-L141 HydrophobicContact CB-CG 4.04Å; H108-L141 PolarHBondContact ND1-N 3.42Å; H108-L141 PolarHBondContact ND1-O 3.33Å; V139-L141 HydrophobicContact CG1-CD2 3.83Å; V139-L141 HydrophobicContact CG1-CG 4.21Å
142	S	89.1	Confident	74	Confident	63 Å²	63	82.3 Å²	82.3	44%	0.441	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	127	171.2	52.5	0	0	0	0	110.8	S2 T3	S2-S142 CarbonylContact C-O 3.59Å; S2-S142 WeakPolarHBondContact CA-O 3.45Å; T3-S142 PolarHBondContact N-O 3.26Å; T3-S142 PolarHBondContact O-N 3.41Å
143	D	81.6	Confident	71.7	Confident	129 Å²	129	80.8 Å²	80.8	69%	0.69	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	125	175	-82	-59	0	0	0	111.1	S2 P145	S2-D143 WeakPolarHBondContact CA-OD1 3.4Å; S2-D143 WeakPolarHBondContact CB-OD1 3.25Å; D143-P145 WeakPolarHBondContact O-CD 3.34Å
144	S	60.8	Low	69.6	Low	47 Å²	47	86.5 Å²	86.5	33%	0.329	49%	0.49	S	S	.	.			trans	-61.4	121.2	168	67.6	0	0	0	0	108.3	M1 T146	M1-S144 PolarHBondContact N-OG 2.96Å; M1-S144 PolarHBondContact O-OG 3.05Å; M1-S144 VanDerWaalsContact O-OG 3.06Å; S144-T146 PolarHBondContact O-N 2.89Å
145	P	52.6	Low	67.4	Low	125 Å²	125	93.1 Å²	93.1	81%	0.812	53%	0.531	S	S	*	.			trans	-60.7	115.1	172	24.7	-32.2	0	0	0	108.3	D143 K147	D143-P145 WeakPolarHBondContact O-CD 3.34Å; P145-K147 PolarHBondContact O-N 2.88Å
146	T	48.8	Very low	65.3	Low	121 Å²	121	102.3 Å²	102.3	74%	0.742	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-57.2	136	163.3	35.6	0	0	0	0	107.7	S144 E148	S144-T146 PolarHBondContact O-N 2.89Å; T146-E148 PolarHBondContact O-N 3.4Å
147	K	47.8	Very low	63	Low	207 Å²	207	112.1 Å²	112.1	90%	0.9	61%	0.614	S	S	*	*	S	Bend	trans	-47.5	140.4	179	-69.8	-173.3	176	-175	0	110.2	P145	P145-K147 PolarHBondContact O-N 2.88Å
148	E	44.8	Very low	60.6	Low	180 Å²	180	123.9 Å²	123.9	84%	0.841	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-55.8	158.2	-160.5	-64.9	150.2	111	0	0	113.8	T146 V150	T146-E148 PolarHBondContact O-N 3.4Å; E148-V150 PolarHBondContact O-N 3.43Å
149	N	41.4	Very low	58.2	Low	155 Å²	155	126.1 Å²	126.1	83%	0.829	67%	0.671	S	S	*	*			trans	-52.2	113.6	165.9	-79.2	-56.7	0	0	0	109.4	V151	N149-V151 WeakPolarHBondContact O-CG2 3.37Å; N149-V151 PolarHBondContact O-N 3.3Å
150	V	47.1	Very low	55.6	Low	118 Å²	118	131.5 Å²	131.5	72%	0.715	71%	0.708	S	S	*	*			trans	-60.8	112.1	165.5	173.5	0	0	0	0	107	E148 T152	E148-V150 PolarHBondContact O-N 3.43Å; V150-T152 HydrophobicContact CG1-CG2 3.83Å; V150-T152 PolarHBondContact O-N 2.85Å
151	V	48.1	Very low	53.5	Low	140 Å²	140	137.8 Å²	137.8	85%	0.848	73%	0.731	S	S	*	*			trans	-76.8	72.8	-176	-174.6	0	0	0	0	110.1	N149	N149-V151 WeakPolarHBondContact O-CG2 3.37Å; N149-V151 PolarHBondContact O-N 3.3Å
152	T	41	Very low	51.4	Low	121 Å²	121	141.3 Å²	141.3	74%	0.742	76%	0.757	S	S	*	*			trans	-110.8	57.9	171.5	46.7	0	0	0	0	110.2	V150	V150-T152 HydrophobicContact CG1-CG2 3.83Å; V150-T152 PolarHBondContact O-N 2.85Å
153	G	43.6	Very low	49.2	Very low	67 Å²	67	142.4 Å²	142.4	69%	0.691	77%	0.771	S	S	*	*			trans	-107.7	56.1	-172.1	0	0	0	0	0	115.1
154	T	48.9	Very low	47.9	Very low	120 Å²	120	145.2 Å²	145.2	74%	0.736	78%	0.779	S	S	*	*			trans	27	117.3	164.9	56.6	0	0	0	0	120.1	K156	T154-K156 PolarHBondContact O-N 2.89Å
155	T	45	Very low	47	Very low	145 Å²	145	149 Å²	149	89%	0.89	80%	0.803	S	S	*	*			trans	-56.9	116.9	173.7	48	0	0	0	0	115
156	K	51.2	Low	46.7	Very low	192 Å²	192	147 Å²	147	84%	0.835	81%	0.805	S	S	*	*			trans	-136.9	68.4	169.4	-75.1	-167.1	176.9	176.5	0	115.7	T154	T154-K156 PolarHBondContact O-N 2.89Å
157	K	47.5	Very low	46.8	Very low	209 Å²	209	147.1 Å²	147.1	91%	0.909	81%	0.811	S	S	*	*			trans	21.6	96.1	140.1	-170.7	-179.7	-177	175.9	0	118.5
158	R	47.6	Very low	46.8	Very low	248 Å²	248	143.1 Å²	143.1	94%	0.936	80%	0.804	S	S	*	*			trans	-172.6	148.4	156	-109.6	178.8	173.5	-154.3	-1.6	109.1
159	K	47.7	Very low	47.2	Very low	154 Å²	154	141.3 Å²	141.3	67%	0.67	81%	0.805	S	S	*	*			cis	-151.7	129	-39.5	174.8	-176.1	177.1	-169.3	0	105.4	Y161	K159-Y161 HydrophobicContact CD-CE2 4.07Å; K159-Y161 HydrophobicContact CG-CE2 4.36Å; K159-Y161 PolarHBondContact NZ-OH 3.05Å
160	S	44.2	Very low	47.7	Very low	112 Å²	112	138.6 Å²	138.6	78%	0.783	80%	0.798	S	S	*	*			trans	-79.2	150.2	-177.3	45.3	0	0	0	0	113.6
161	Y	52.5	Low	47.9	Very low	183 Å²	183	138.4 Å²	138.4	72%	0.718	80%	0.802	S	S	*	*			trans	-135.3	139.5	160.2	-75.9	-89.8	0	0	0	107.8	K159	K159-Y161 HydrophobicContact CD-CE2 4.07Å; K159-Y161 HydrophobicContact CG-CE2 4.36Å; K159-Y161 PolarHBondContact NZ-OH 3.05Å
162	P	49.1	Very low	48	Very low	131 Å²	131	138.1 Å²	138.1	85%	0.851	80%	0.8	S	S	*	*			trans	-89.7	170.4	-167.8	35.8	-36.9	0	0	0	114.4
163	A	42.8	Very low	48.4	Very low	87 Å²	87	140.4 Å²	140.4	72%	0.719	80%	0.803	S	S	*	*			trans	-90.5	166.7	-175.8	0	0	0	0	0	114.6
164	Q	53.2	Low	48.7	Very low	187 Å²	187	148.5 Å²	148.5	87%	0.874	81%	0.813	S	S	*	*			trans	-140	136.6	162.2	-73.5	-63.9	-80.5	0	0	109.6
165	P	42.4	Very low	49.2	Very low	128 Å²	128	147.9 Å²	147.9	83%	0.831	81%	0.813	S	S	*	*			trans	-109.5	156.3	179	39	-32.2	0	0	0	114.4
166	G	46.6	Very low	49.3	Very low	82 Å²	82	149 Å²	149	85%	0.845	81%	0.813	S	S	*	*			trans	151.9	150.9	175.2	0	0	0	0	0	110.4
167	S	50.4	Low	49.5	Very low	124 Å²	124	143.5 Å²	143.5	87%	0.867	81%	0.812	S	S	*	*			cis	-144.2	164	2.3	-172	0	0	0	0	110.8
168	T	47.2	Very low	49.7	Very low	122 Å²	122	143.1 Å²	143.1	75%	0.748	81%	0.813	S	S	*	*			trans	-95.6	139.3	-177.5	49.1	0	0	0	0	114
169	V	53.2	Low	50.2	Low	143 Å²	143	139.1 Å²	139.1	87%	0.867	81%	0.81	S	S	*	*			trans	-177.7	163.1	139.9	-90.9	0	0	0	0	108.8
170	S	52.2	Low	50.6	Low	97 Å²	97	138.8 Å²	138.8	68%	0.678	82%	0.816	S	S	*	*			cis	178.2	130	-42	-91.5	0	0	0	0	108.3
171	S	51.9	Low	51	Low	115 Å²	115	138.3 Å²	138.3	80%	0.804	81%	0.812	S	S	*	*			trans	65.7	161.2	164.2	-46	0	0	0	0	116.5
172	T	49.8	Very low	51.3	Low	133 Å²	133	137.8 Å²	137.8	82%	0.816	82%	0.82	S	S	*	*			cis	-148.5	176	-0.3	-17.5	0	0	0	0	110.8
173	Q	48.8	Very low	51.2	Low	170 Å²	170	134.5 Å²	134.5	79%	0.794	81%	0.811	S	S	*	*			trans	-80.7	177.3	-179.1	-57	164.6	-54.7	0	0	114.4
174	R	51.5	Low	51.9	Low	237 Å²	237	136 Å²	136	89%	0.894	82%	0.815	S	S	*	*			trans	99.4	144.8	170.6	-60.4	159.3	-174.2	-116.9	-1.8	113.7
175	S	59.2	Low	52.1	Low	107 Å²	107	132 Å²	132	75%	0.748	81%	0.808	S	S	*	*			cis	-156.1	164	-5.3	38.5	0	0	0	0	110.6
176	D	47	Very low	52.5	Low	167 Å²	167	133.3 Å²	133.3	89%	0.893	81%	0.808	S	S	*	*			trans	-60.9	158.4	170	-47.6	-92.5	0	0	0	112.4
177	G	54.9	Low	52.8	Low	78 Å²	78	138.7 Å²	138.7	80%	0.804	81%	0.812	S	S	*	*			trans	-163.6	131.6	177.6	0	0	0	0	0	111.1
178	E	52.5	Low	53	Low	201 Å²	201	137.5 Å²	137.5	94%	0.939	80%	0.803	S	S	*	*			trans	-110.9	141	-174.7	-56.3	170.5	143.7	0	0	108.8
179	D	56.8	Low	53.6	Low	163 Å²	163	138.9 Å²	138.9	87%	0.872	81%	0.811	S	S	*	*			trans	-152.2	157.8	166	-156.9	-5.4	0	0	0	110
180	D	55.6	Low	53.5	Low	148 Å²	148	139.5 Å²	139.5	79%	0.791	81%	0.81	S	S	*	*			trans	-114.5	-168.1	-154.3	-107.7	-61.3	0	0	0	113.4
181	S	53.4	Low	53.4	Low	101 Å²	101	139 Å²	139	71%	0.706	81%	0.812	S	S	*	*			trans	84.3	148.3	152.5	-57.7	0	0	0	0	119.9
182	I	58.7	Low	53.2	Low	172 Å²	172	142.6 Å²	142.6	88%	0.882	81%	0.813	S	S	*	*			cis	-164.6	156.5	-36	-129.2	163.9	0	0	0	109.2
183	G	48.1	Very low	53.3	Low	63 Å²	63	146.7 Å²	146.7	65%	0.649	81%	0.814	S	S	*	*			trans	140.6	107.9	173.5	0	0	0	0	0	112.1
184	S	55.7	Low	53.4	Low	117 Å²	117	142.4 Å²	142.4	82%	0.818	80%	0.801	S	S	*	*				72.3	125.6	52.6	-153.2	0	0	0	0	112.1
185	S	58.7	Low	53.3	Low	103 Å²	103	141.6 Å²	141.6	72%	0.72	80%	0.798	S	S	*	*			cis	-159.1	175.2	2.9	18	0	0	0	0	112.8
186	D	49.8	Very low	52.9	Low	156 Å²	156	140.9 Å²	140.9	83%	0.834	79%	0.793	S	S	*	*			trans	-58.4	156.3	-171.2	-45.6	-105.4	0	0	0	117.7
187	E	52.9	Low	52.8	Low	196 Å²	196	139.6 Å²	139.6	92%	0.916	79%	0.786	S	S	*	*				-151.3	167.1	122.2	-143.1	178.4	85.4	0	0	110.5
188	S	54.8	Low	52.4	Low	99 Å²	99	141.7 Å²	141.7	69%	0.692	78%	0.783	S	S	*	*			trans	-149.5	156.5	-164.8	67.7	0	0	0	0	114.4
189	T	59.5	Low	52.1	Low	150 Å²	150	138.9 Å²	138.9	92%	0.92	78%	0.78	S	S	*	*			trans	-171.1	160.6	141.8	12.5	0	0	0	0	114.2
190	D	52.5	Low	51.6	Low	156 Å²	156	135.8 Å²	135.8	83%	0.834	77%	0.771	S	S	*	*			trans	-73.4	152.8	-172.4	-109.3	-92.1	0	0	0	117.2
191	A	49	Very low	51	Low	88 Å²	88	134.3 Å²	134.3	73%	0.727	77%	0.772	S	S	*	*				179.1	122.7	108.3	0	0	0	0	0	116.9
192	K	48.6	Very low	50.3	Low	190 Å²	190	134.4 Å²	134.4	83%	0.826	78%	0.779	S	S	*	*			trans	56	90	140	-63.1	-178.4	179.5	174.2	0	122.8
193	R	50.5	Low	49.5	Very low	219 Å²	219	135.5 Å²	135.5	83%	0.826	78%	0.78	S	S	*	*				44	152.7	100	-132.2	-145.4	170.6	-147.3	3.7	120.1
194	P	52.2	Low	49.3	Very low	80 Å²	80	144.4 Å²	144.4	52%	0.519	79%	0.794	S	S	.	*				-146.5	-169.2	-62.7	48.2	-32.3	0	0	0	116
195	R	48.8	Very low	48.4	Very low	220 Å²	220	145.7 Å²	145.7	83%	0.83	80%	0.797	S	S	*	*			trans	70.3	156.1	151.1	-72.8	177.3	-177.4	-152.5	-3	119.4
196	S	51.9	Low	47.8	Very low	92 Å²	92	145.6 Å²	145.6	64%	0.643	80%	0.803	S	S	*	*			cis	-167.5	170.9	-23.2	57.1	0	0	0	0	112.3
197	N	44.7	Very low	47.4	Very low	139 Å²	139	145.8 Å²	145.8	74%	0.743	80%	0.804	S	S	*	*			trans	100.6	120.5	171.9	-54.1	10.4	0	0	0	113.4
198	T	45.1	Very low	46.8	Very low	123 Å²	123	146 Å²	146	76%	0.755	80%	0.796	S	S	*	*			cis	69.2	96.3	37.3	74.7	0	0	0	0	116.5
199	T	45.9	Very low	46.4	Very low	142 Å²	142	149.3 Å²	149.3	87%	0.871	80%	0.801	S	S	*	*				-156.1	141.9	129.6	11.6	0	0	0	0	113
200	S	46.9	Very low	45.7	Very low	97 Å²	97	151.8 Å²	151.8	68%	0.678	80%	0.799	S	S	*	*			trans	-37.4	134.4	165.2	46.6	0	0	0	0	116.2
201	S	43.6	Very low	45.4	Very low	118 Å²	118	153.8 Å²	153.8	83%	0.825	80%	0.801	S	S	*	*				78.8	120.8	81	-47.9	0	0	0	0	115.8
202	A	39.6	Very low	45.5	Very low	103 Å²	103	158.4 Å²	158.4	85%	0.851	80%	0.804	S	S	*	*			trans	174.7	137.9	136.8	0	0	0	0	0	111.3
203	Q	41.5	Very low	45.5	Very low	194 Å²	194	154.6 Å²	154.6	91%	0.907	79%	0.788	S	S	*	*			trans	-87.1	134.5	168.6	-59.4	152.2	-72	0	0	109.9
204	R	42.5	Very low	45.3	Very low	250 Å²	250	149.5 Å²	149.5	94%	0.943	78%	0.783	S	S	*	*			trans	-144.3	134.2	152.3	-77.5	-156.1	168.8	-155.9	-5.5	112
205	T	38.1	Very low	44.7	Very low	144 Å²	144	150.5 Å²	150.5	88%	0.883	80%	0.798	S	S	*	*			trans	-91.5	141.2	171.5	43.3	0	0	0	0	110.3
206	A	45.4	Very low	44.6	Very low	102 Å²	102	145.5 Å²	145.5	84%	0.843	80%	0.797	S	S	*	*			trans	-160.2	147.3	164.2	0	0	0	0	0	111.8
207	N	41	Very low	44	Very low	160 Å²	160	146.3 Å²	146.3	86%	0.856	80%	0.803	S	S	*	*			trans	-55.5	153	173	-77.2	-23.3	0	0	0	113.3
208	R	40.9	Very low	43.7	Very low	199 Å²	199	147.7 Å²	147.7	75%	0.751	81%	0.81	S	S	*	*			trans	-140.9	122.5	151.8	-148	172.2	-179.4	-147.9	-4.6	110.5	N355	R208-N355 PolarHBondContact NH2-OD1 3.22Å
209	Q	47	Very low	43.4	Very low	169 Å²	169	152.7 Å²	152.7	79%	0.79	82%	0.815	S	S	*	*			trans	-80.2	140.9	-175.2	-68.3	159.4	-65.8	0	0	110.9
210	K	44.7	Very low	43.1	Very low	202 Å²	202	155.3 Å²	155.3	88%	0.878	82%	0.817	S	S	*	*			trans	-81.1	114.2	168	-78.9	-169.3	172.6	-173.2	0	109.8
211	F	44.9	Very low	42.8	Very low	199 Å²	199	159.3 Å²	159.3	87%	0.873	82%	0.822	S	S	*	*			trans	-75.2	135.8	158.1	-83.7	-96	0	0	0	109.4
212	K	51.2	Low	42.8	Very low	184 Å²	184	159 Å²	159	80%	0.8	82%	0.815	S	S	*	*			trans	-112.5	148.3	164.1	-72.6	-173.4	173.7	-172.9	0	107.9
213	K	49.2	Very low	43.1	Very low	111 Å²	111	161 Å²	161	48%	0.483	81%	0.811	S	S	.	*			trans	-53.8	130.8	167.3	-77.1	-179	174.3	178.6	0	109.1	E315	K213-E315 IonicContact NZ-OE2 3.5Å
214	P	45.9	Very low	43.3	Very low	111 Å²	111	160.3 Å²	160.3	72%	0.721	81%	0.808	S	S	*	*			trans	-70.6	152.3	159.9	31.9	-33.2	0	0	0	109.5	S216	P214-S216 PolarHBondContact O-N 3.32Å
215	A	40.7	Very low	43.8	Very low	102 Å²	102	158 Å²	158	84%	0.843	81%	0.808	S	S	*	*			trans	-78.2	103.9	171.9	0	0	0	0	0	109.5	S217	A215-S217 PolarHBondContact O-N 2.85Å
216	S	45.3	Very low	44.2	Very low	114 Å²	114	158.5 Å²	158.5	80%	0.797	81%	0.806	S	S	*	*			trans	-74.8	120.3	172.6	-70.1	0	0	0	0	110.2	P214	P214-S216 PolarHBondContact O-N 3.32Å
217	S	40.3	Very low	44.7	Very low	109 Å²	109	161.9 Å²	161.9	76%	0.762	81%	0.809	S	S	*	*			trans	-65.6	138.2	175.1	-46	0	0	0	0	111.3	A215	A215-S217 PolarHBondContact O-N 2.85Å
218	N	38.6	Very low	45.2	Very low	168 Å²	168	163.5 Å²	163.5	90%	0.898	81%	0.812	S	S	*	*			trans	-112.7	121.9	149.2	-119.6	-5.1	0	0	0	107.7
219	R	37.6	Very low	45.5	Very low	228 Å²	228	159.8 Å²	159.8	86%	0.86	81%	0.807	S	S	*	*			trans	-81	128.3	176.7	-72.8	173.5	168.7	173	-5.6	108.8
220	H	40.9	Very low	45.7	Very low	198 Å²	198	157.4 Å²	157.4	92%	0.917	81%	0.809	S	S	*	*			trans	-126.5	158.7	143	-101	-92.5	0	0	0	109.6
221	K	39.7	Very low	45.9	Very low	180 Å²	180	154.5 Å²	154.5	78%	0.783	80%	0.803	S	S	*	*			trans	-113.5	175.8	-172.2	-166.8	-169.4	171.5	-165.1	0	108
222	V	44.6	Very low	46.3	Very low	111 Å²	111	154.2 Å²	154.2	67%	0.673	80%	0.804	S	S	*	*			trans	72.6	132.7	171	-57.1	0	0	0	0	114.8
223	D	45.2	Very low	46.6	Very low	146 Å²	146	153.4 Å²	153.4	78%	0.781	81%	0.809	S	S	*	*			cis	-142.2	177.2	-6.1	-90.9	-30.3	0	0	0	111.1
224	E	44.5	Very low	47.3	Very low	179 Å²	179	154.2 Å²	154.2	84%	0.836	83%	0.825	S	S	*	*			trans	-93.5	127	-175.6	-64	155.7	118.9	0	0	112.3
225	E	54.5	Low	47.3	Very low	201 Å²	201	157 Å²	157	94%	0.939	83%	0.834	S	S	*	*			trans	-139.7	119.4	156.2	-69	-169.2	152.6	0	0	108.6
226	D	46.4	Very low	47.5	Very low	156 Å²	156	159.1 Å²	159.1	83%	0.834	83%	0.831	S	S	*	*			trans	-87.5	145.6	174.4	-68.2	-78.8	0	0	0	110.7
227	D	54.9	Low	47.3	Very low	172 Å²	172	157.6 Å²	157.6	92%	0.92	82%	0.821	S	S	*	*			trans	-147.1	143.1	164.9	-118.9	-36.2	0	0	0	110.1
228	E	52.2	Low	47.5	Very low	194 Å²	194	158.2 Å²	158.2	91%	0.907	83%	0.825	S	S	*	*			trans	-97.6	175.6	-151.9	-68.6	-163.6	115.1	0	0	117.4
229	D	46.4	Very low	48.1	Very low	121 Å²	121	154.7 Å²	154.7	65%	0.647	81%	0.813	S	S	*	*			trans	-65.7	153.2	-179.1	-175.1	19.4	0	0	0	114.3	N231	D229-N231 PolarHBondContact OD1-N 3.11Å; D229-N231 PolarHBondContact OD1-ND2 3.17Å
230	S	52.5	Low	48.5	Very low	119 Å²	119	150.4 Å²	150.4	83%	0.832	81%	0.808	S	S	*	*			trans	-162	74.7	164.4	-78.4	0	0	0	0	111.1
231	N	47.9	Very low	48.7	Very low	142 Å²	142	149.3 Å²	149.3	76%	0.759	80%	0.8	S	S	*	*			trans	-96.4	113.4	167.2	-75	-93.9	0	0	0	110.6	D229	D229-N231 PolarHBondContact OD1-N 3.11Å; D229-N231 PolarHBondContact OD1-ND2 3.17Å
232	E	54.6	Low	48.7	Very low	192 Å²	192	151.6 Å²	151.6	90%	0.897	80%	0.804	S	S	*	*			trans	-131	106.5	170.7	-70.5	-160.4	126.9	0	0	112
233	D	56.6	Low	48.7	Very low	168 Å²	168	153.7 Å²	153.7	90%	0.898	81%	0.811	S	S	*	*			trans	-147.6	105.3	167.7	-117.1	-34.1	0	0	0	107.9
234	P	64.7	Low	48.7	Very low	127 Å²	127	151.5 Å²	151.5	83%	0.825	81%	0.807	S	S	*	*			trans	-102	110.5	-174	34.5	-30.8	0	0	0	114.3
235	D	44.6	Very low	48.7	Very low	170 Å²	170	148 Å²	148	91%	0.909	80%	0.802	S	S	*	*			trans	-77.5	139.4	156.2	-87.5	-50.2	0	0	0	110.6
236	D	45	Very low	48.2	Very low	147 Å²	147	143.4 Å²	143.4	79%	0.786	80%	0.798	S	S	*	*				-179.1	151.6	112.1	-168.5	36.9	0	0	0	114.8
237	S	41.9	Very low	47.7	Very low	82 Å²	82	139.4 Å²	139.4	57%	0.573	79%	0.794	S	S	*	*			trans	-25.5	139.5	168.5	-51.6	0	0	0	0	121.5
238	S	45.2	Very low	47.3	Very low	121 Å²	121	136.3 Å²	136.3	85%	0.846	79%	0.786	S	S	*	*				-167.8	117.6	118	-86	0	0	0	0	111.6
239	S	50.7	Low	46.9	Very low	94 Å²	94	135.4 Å²	135.4	66%	0.657	78%	0.779	S	S	*	*				81.3	81.1	58.1	-68.7	0	0	0	0	115.9
240	N	46.5	Very low	46.7	Very low	138 Å²	138	135.3 Å²	135.3	74%	0.738	78%	0.783	S	S	*	*				159.6	148	111.2	-92	-71.5	0	0	0	117.6
241	K	43.4	Very low	46.5	Very low	175 Å²	175	135.9 Å²	135.9	76%	0.761	78%	0.775	S	S	*	*			trans	63.1	120.3	154.2	-67.9	165.6	-173.5	173.2	0	117.4
242	R	41.3	Very low	46.3	Very low	229 Å²	229	137.2 Å²	137.2	86%	0.864	77%	0.774	S	S	*	*				65.6	134	70.8	-69.2	-174.3	-179.1	-141.5	3.2	112.2
243	L	44.9	Very low	45.5	Very low	155 Å²	155	135.7 Å²	135.7	81%	0.812	77%	0.765	S	S	*	*			cis	-134.1	170.2	20.8	-78.9	90.7	0	0	0	115
244	S	43.7	Very low	44.7	Very low	100 Å²	100	138 Å²	138	70%	0.699	76%	0.76	S	S	*	*			trans	-55.9	171.9	155.5	57.8	0	0	0	0	113.5
245	S	46.1	Very low	43.8	Very low	106 Å²	106	135.7 Å²	135.7	74%	0.741	75%	0.748	S	S	*	*			cis	-166	163.6	19.8	10	0	0	0	0	111.9
246	A	42.3	Very low	43.3	Very low	104 Å²	104	135.6 Å²	135.6	86%	0.86	75%	0.747	S	S	*	*			trans	35.6	121.1	148.9	0	0	0	0	0	119.1
247	G	37.3	Very low	43	Very low	72 Å²	72	131.4 Å²	131.4	74%	0.742	74%	0.739	S	S	*	*			cis	123	159.6	45.4	0	0	0	0	0	110.6
248	S	46.2	Very low	43	Very low	106 Å²	106	133.8 Å²	133.8	74%	0.741	75%	0.75	S	S	*	*			trans	75	113.3	170.1	-73	0	0	0	0	121.2
249	K	44.1	Very low	43.1	Very low	175 Å²	175	133 Å²	133	76%	0.761	74%	0.736	S	S	*	*				91.1	98.5	126.7	-66.8	172	-173	176	0	121.4
250	T	42	Very low	42.6	Very low	119 Å²	119	136.1 Å²	136.1	73%	0.73	74%	0.738	S	S	*	*				83.6	147	118.7	60.2	0	0	0	0	122.6
251	I	48	Very low	42.4	Very low	131 Å²	131	135.6 Å²	135.6	67%	0.672	73%	0.734	S	S	*	*			trans	102.1	103.1	135.9	-91	161	0	0	0	120.1
252	K	43.1	Very low	42.4	Very low	171 Å²	171	136.2 Å²	136.2	74%	0.743	74%	0.737	S	S	*	*			trans	79.4	127.5	137.3	-69	175.5	-169.4	163.4	0	122.5
253	K	39.3	Very low	42.2	Very low	160 Å²	160	133.2 Å²	133.2	70%	0.696	73%	0.73	S	S	*	*				88.6	124.3	128.6	-85.6	-178.8	170.1	-176.9	0	120.7
254	R	39.4	Very low	42.2	Very low	215 Å²	215	131 Å²	131	81%	0.811	73%	0.728	S	S	*	*			trans	72.9	156.5	132.5	-76.2	-177	162.9	-172.9	-10	118.6
255	S	44.8	Very low	42.2	Very low	80 Å²	80	133.5 Å²	133.5	56%	0.559	73%	0.728	S	S	*	*			cis	-176.2	147.9	-26.7	50.5	0	0	0	0	110.6
256	N	33.6	Very low	42.2	Very low	167 Å²	167	133.1 Å²	133.1	89%	0.893	73%	0.725	S	S	*	*			trans	66.4	155.9	169.7	-55.3	4.9	0	0	0	115.1
257	G	39.8	Very low	42.2	Very low	60 Å²	60	135.6 Å²	135.6	62%	0.619	72%	0.724	S	S	*	*			cis	161.6	143.3	-12.8	0	0	0	0	0	113.5
258	T	42.5	Very low	42.7	Very low	131 Å²	131	136.3 Å²	136.3	80%	0.804	72%	0.717	S	S	*	*			trans	59.9	169	167.6	84.3	0	0	0	0	115.9
259	D	45.6	Very low	42.8	Very low	104 Å²	104	137.8 Å²	137.8	56%	0.556	72%	0.722	S	S	*	*			cis	-152.4	138.8	11	-123.4	-35.2	0	0	0	114.7
260	K	41.1	Very low	43.2	Very low	160 Å²	160	133.5 Å²	133.5	70%	0.696	71%	0.714	S	S	*	*			trans	45.4	133.5	134.3	-78.1	176	-155.9	104.5	0	124.4
261	I	42.9	Very low	43.6	Very low	127 Å²	127	138.9 Å²	138.9	65%	0.651	72%	0.721	S	S	*	*				114.6	135.9	113.1	-92	174.9	0	0	0	124.1
262	K	43.6	Very low	43.5	Very low	188 Å²	188	141.4 Å²	141.4	82%	0.817	73%	0.727	S	S	*	*			trans	69.8	160.7	158.9	-81.2	157.8	-160.7	173.6	0	120.8
263	K	37.1	Very low	43.8	Very low	166 Å²	166	137.9 Å²	137.9	72%	0.722	72%	0.724	S	S	*	*				162	117.4	-51.7	171	-177.9	170.6	-177.5	0	112.9	H265	K263-H265 WeakPolarHBondContact CE-NE2 3.29Å
264	S	43.9	Very low	44.1	Very low	110 Å²	110	135.8 Å²	135.8	77%	0.769	73%	0.729	S	S	*	*			trans	-163.9	133.9	157.8	20.4	0	0	0	0	108.5
265	H	43.5	Very low	44.2	Very low	152 Å²	152	128.8 Å²	128.8	70%	0.704	72%	0.724	S	S	*	*				75.4	130.8	56	-65.6	-57.5	0	0	0	112.8	K263	K263-H265 WeakPolarHBondContact CE-NE2 3.29Å
266	S	46.9	Very low	44.1	Very low	98 Å²	98	131.9 Å²	131.9	69%	0.685	74%	0.74	S	S	*	*			cis	-168.7	155.3	8.8	52.9	0	0	0	0	115.6
267	N	42.4	Very low	44.5	Very low	156 Å²	156	133.1 Å²	133.1	83%	0.834	74%	0.737	S	S	*	*			trans	63.8	157.3	145.4	-82.8	7.3	0	0	0	120.9
268	S	46.4	Very low	44.7	Very low	86 Å²	86	136.2 Å²	136.2	60%	0.601	75%	0.747	S	S	*	*			cis	-168	159.3	-4.7	41.9	0	0	0	0	114.3
269	V	49	Very low	44.4	Very low	137 Å²	137	133.4 Å²	133.4	83%	0.83	74%	0.743	S	S	*	*			trans	59.7	149	155.6	-66.8	0	0	0	0	121.7
270	S	51.5	Low	44.3	Very low	85 Å²	85	136.8 Å²	136.8	59%	0.594	76%	0.755	S	S	*	*			cis	-171.8	167.9	-24.7	65.3	0	0	0	0	113.2
271	R	50.3	Low	44.3	Very low	232 Å²	232	134 Å²	134	88%	0.875	75%	0.752	S	S	*	*			trans	75.7	140.2	157.1	-67.1	165.5	-168.4	-150.6	1.1	117.6
272	K	46.2	Very low	44.4	Very low	184 Å²	184	136.1 Å²	136.1	80%	0.8	76%	0.759	S	S	*	*			cis	-164.4	152.7	-11.5	-142.8	-172.3	177.9	-171	0	112
273	S	49.9	Very low	44.3	Very low	97 Å²	97	133.1 Å²	133.1	68%	0.678	75%	0.752	S	S	*	*			trans	29.8	144.7	146.9	55.2	0	0	0	0	122.1
274	S	46.1	Very low	44.5	Very low	116 Å²	116	132.9 Å²	132.9	81%	0.811	75%	0.751	S	S	*	*			cis	-167.5	153.5	5.8	34.3	0	0	0	0	107.9
275	G	42.2	Very low	44.6	Very low	69 Å²	69	133.6 Å²	133.6	71%	0.711	74%	0.742	S	S	*	*				94.8	133.2	57	0	0	0	0	0	110.1
276	T	42.1	Very low	44.7	Very low	144 Å²	144	132.8 Å²	132.8	88%	0.883	74%	0.736	S	S	*	*			cis	-156.9	167.7	7.2	-61.8	0	0	0	0	111
277	K	42.5	Very low	44.5	Very low	193 Å²	193	137.4 Å²	137.4	84%	0.839	74%	0.739	S	S	*	*			trans	-84.5	-163.2	179.5	-59.2	-178.5	178.8	-179.2	0	112.9
278	P	43.6	Very low	44.6	Very low	126 Å²	126	139.3 Å²	139.3	82%	0.818	73%	0.734	S	S	*	*				-134.3	-178.4	-74.5	40.9	-24.7	0	0	0	114.8
279	G	34.9	Very low	44.2	Very low	71 Å²	71	140.6 Å²	140.6	73%	0.732	74%	0.743	S	S	*	*			trans	127.1	151.4	131.6	0	0	0	0	0	121.6
280	H	44.8	Very low	43.9	Very low	175 Å²	175	137.9 Å²	137.9	81%	0.81	74%	0.743	S	S	*	*			trans	77	91.3	152.5	-98.6	-89.6	0	0	0	124.1
281	T	41.4	Very low	43.5	Very low	102 Å²	102	143.3 Å²	143.3	63%	0.626	76%	0.756	S	S	*	*				73.4	128.3	120.9	54.4	0	0	0	0	125.3
282	H	44.3	Very low	43	Very low	171 Å²	171	136.4 Å²	136.4	79%	0.792	74%	0.744	S	S	*	*			trans	91.4	116.4	131.7	-103	-81.7	0	0	0	123.4
283	N	40.6	Very low	42.8	Very low	125 Å²	125	133.3 Å²	133.3	67%	0.668	75%	0.745	S	S	*	*				117.6	141.5	119.3	-151	24.9	0	0	0	118.1
284	K	41.7	Very low	42.4	Very low	162 Å²	162	139 Å²	139	70%	0.704	76%	0.757	S	S	*	*			trans	11.8	139.1	155.6	-74.9	173.4	172.1	-176.5	0	119
285	E	46.5	Very low	42.4	Very low	125 Å²	125	139 Å²	139	58%	0.584	76%	0.758	S	S	*	*			cis	-166.7	-150.9	9.7	-127.8	172.4	105.1	0	0	107.5
286	K	45.1	Very low	42.3	Very low	135 Å²	135	139.8 Å²	139.8	59%	0.587	77%	0.765	S	S	*	*			cis	-164.3	125.7	7.8	-136.9	153	-169.4	95.8	0	110.6
287	R	42.2	Very low	42.2	Very low	194 Å²	194	135.7 Å²	135.7	73%	0.732	75%	0.752	S	S	*	*			trans	64.8	166.1	154.8	-63.8	174.1	175.4	-170.8	-2.3	116.7
288	R	44	Very low	42.2	Very low	197 Å²	197	135.8 Å²	135.8	74%	0.743	75%	0.753	S	S	*	*			cis	-162	146.7	-17.5	-116	174.4	-178.6	-175.7	-3.4	112.3
289	S	40.1	Very low	42	Very low	112 Å²	112	137.1 Å²	137.1	78%	0.783	75%	0.753	S	S	*	*			trans	52.6	120	142.5	65.1	0	0	0	0	124.4
290	G	41.2	Very low	42.7	Very low	81 Å²	81	137.2 Å²	137.2	84%	0.835	75%	0.747	S	S	*	*			trans	88.3	165.8	135.9	0	0	0	0	0	118.1
291	K	42.7	Very low	43.2	Very low	198 Å²	198	137.1 Å²	137.1	86%	0.861	75%	0.747	S	S	*	*			cis	-163.3	150.6	-15.7	-172.7	-175.7	170.1	-178.5	0	109.4
292	S	41.4	Very low	43.6	Very low	88 Å²	88	140 Å²	140	62%	0.615	76%	0.758	S	S	*	*			trans	59.5	115.8	156.6	51	0	0	0	0	121.2
293	S	40.2	Very low	43.9	Very low	118 Å²	118	139.3 Å²	139.3	83%	0.825	76%	0.76	S	S	*	*				63.6	109.1	121.5	-45.8	0	0	0	0	120.9
294	K	42.5	Very low	44.4	Very low	216 Å²	216	137.7 Å²	137.7	94%	0.939	77%	0.765	S	S	*	*				-152.3	171.2	130	-124.7	172.9	-177.1	179.8	0	112.3
295	S	45.6	Very low	44.6	Very low	117 Å²	117	133.6 Å²	133.6	82%	0.818	77%	0.768	S	S	*	*			trans	-119.2	151.5	-161.4	52.8	0	0	0	0	113.4
296	G	40.2	Very low	44.4	Very low	85 Å²	85	131.8 Å²	131.8	88%	0.876	78%	0.783	S	S	*	*			trans	96.9	141.4	173.7	0	0	0	0	0	113
297	G	41.3	Very low	44.8	Very low	58 Å²	58	129 Å²	129	60%	0.598	79%	0.793	S	S	*	*			cis	149.9	133.5	-7.6	0	0	0	0	0	111.9
298	F	42.4	Very low	44.7	Very low	195 Å²	195	126 Å²	126	86%	0.855	79%	0.791	S	S	*	*			trans	65.6	150.7	-175.5	-46.7	-83.1	0	0	0	112.8
299	D	39	Very low	45.1	Very low	155 Å²	155	124.1 Å²	124.1	83%	0.829	79%	0.793	S	S	*	*			cis	-126	-140.6	3.3	-92.3	-61.2	0	0	0	111.4
300	A	49.5	Very low	45.7	Very low	73 Å²	73	126.9 Å²	126.9	60%	0.603	79%	0.791	S	S	*	*			trans	-62.7	-175.5	-171.7	0	0	0	0	0	115.5
301	E	54.2	Low	46.6	Very low	173 Å²	173	130.3 Å²	130.3	81%	0.808	79%	0.785	S	S	*	*			cis	-147	164.2	14.7	10.8	-92.9	121.8	0	0	114.4
302	D	50	Low	47	Very low	162 Å²	162	130.8 Å²	130.8	87%	0.866	78%	0.783	S	S	*	*			trans	21.9	116.5	145.1	-156.8	52.7	0	0	0	121.3
303	D	50.8	Low	47.4	Very low	156 Å²	156	133.6 Å²	133.6	83%	0.834	79%	0.791	S	S	*	*			trans	-160.4	158.7	133.1	-165.8	15.9	0	0	0	110.4
304	A	51.2	Low	48.2	Very low	92 Å²	92	132 Å²	132	76%	0.76	78%	0.78	S	S	*	*			trans	-96.6	145.5	-169.1	0	0	0	0	0	114.8
305	G	47	Very low	49.2	Very low	76 Å²	76	127.6 Å²	127.6	78%	0.784	76%	0.763	S	S	*	*			trans	-171	99.4	172.6	0	0	0	0	0	112.9
306	G	42.9	Very low	50.7	Low	87 Å²	87	127.8 Å²	127.8	90%	0.897	75%	0.751	S	S	*	*			trans	-76.8	152	-179	0	0	0	0	0	114
307	G	52.2	Low	53	Low	77 Å²	77	123.8 Å²	123.8	79%	0.794	71%	0.71	S	S	*	*			trans	-169.3	113	176.2	0	0	0	0	0	112.8	M309	G307-M309 PolarHBondContact O-N 3.06Å
308	D	41.5	Very low	55.2	Low	129 Å²	129	123 Å²	123	69%	0.69	69%	0.694	S	S	*	*			trans	-49.7	128.2	168.3	160.8	24.4	0	0	0	112	F310	D308-F310 WeakPolarHBondContact OD1-CD2 3.46Å; D308-F310 WeakPolarHBondContact OD1-CE2 3.13Å; D308-F310 PolarHBondContact OD1-N 3.39Å
309	M	51.6	Low	57.3	Low	158 Å²	158	114 Å²	114	78%	0.778	66%	0.656	S	S	*	*			trans	-146.8	96.2	145.8	-174.4	166.8	171.8	0	0	110.6	G307 H311	G307-M309 PolarHBondContact O-N 3.06Å; M309-H311 VanDerWaalsContact C-N 3.34Å; M309-H311 PolarHBondContact O-N 3.01Å
310	F	51.9	Low	59.3	Low	171 Å²	171	117 Å²	117	75%	0.75	66%	0.656	S	S	*	*			trans	-56.2	93.7	166.6	-64.7	-85.1	0	0	0	111.1	D308 Y312	D308-F310 WeakPolarHBondContact OD1-CD2 3.46Å; D308-F310 WeakPolarHBondContact OD1-CE2 3.13Å; D308-F310 PolarHBondContact OD1-N 3.39Å; F310-Y312 VanDerWaalsContact C-N 3.33Å; F310-Y312 PolarHBondContact O-N 3.32Å
311	H	59.7	Low	60.8	Low	153 Å²	153	119 Å²	119	71%	0.708	66%	0.663	S	S	*	*			trans	-73.4	88.5	177.5	-157	-61.8	0	0	0	108.9	M309 D313	M309-H311 VanDerWaalsContact C-N 3.34Å; M309-H311 PolarHBondContact O-N 3.01Å; H311-D313 PolarHBondContact O-N 2.93Å
312	Y	52.1	Low	62.3	Low	207 Å²	207	112.5 Å²	112.5	81%	0.812	64%	0.636	S	S	*	*			trans	-51.8	118.6	172.2	-105.2	-101.9	0	0	0	108.7	F310 S314	F310-Y312 VanDerWaalsContact C-N 3.33Å; F310-Y312 PolarHBondContact O-N 3.32Å; Y312-S314 PolarHBondContact O-N 3.18Å
313	D	50.5	Low	63.8	Low	148 Å²	148	111.3 Å²	111.3	79%	0.791	62%	0.623	S	S	*	*			trans	-64	104.1	-179.4	-164.2	7.4	0	0	0	107.9	H311 E315	H311-D313 PolarHBondContact O-N 2.93Å; D313-E315 PolarHBondContact O-N 2.94Å; D313-E315 VanDerWaalsContact O-N 3.13Å
314	S	57.2	Low	65.1	Low	85 Å²	85	109.8 Å²	109.8	59%	0.594	61%	0.611	S	S	*	*			trans	-77.3	102.2	-179.6	-65.9	0	0	0	0	105.8	Y312 E316	Y312-S314 PolarHBondContact O-N 3.18Å; S314-E316 WeakPolarHBondContact O-CA 3.33Å; S314-E316 PolarHBondContact O-N 2.66Å
315	E	63	Low	66.4	Low	123 Å²	123	107 Å²	107	58%	0.575	59%	0.586	S	S	*	*			trans	-44.2	99.9	179.4	-68.3	-168.6	174.5	0	0	109	K213 D313 C317 W332	K213-E315 IonicContact NZ-OE2 3.5Å; D313-E315 PolarHBondContact O-N 2.94Å; D313-E315 VanDerWaalsContact O-N 3.13Å; E315-C317 PolarHBondContact O-N 2.72Å; E315-W332 HydrophobicContact CB-CH2 4.02Å; E315-W332 HydrophobicContact CB-CZ2 3.91Å; E315-W332 VanDerWaalsContact O-CH2 3.24Å; E315-W332 WeakPolarHBondContact O-CH2 3.45Å
316	E	77.4	Confident	67.3	Low	120 Å²	120	112.4 Å²	112.4	56%	0.561	59%	0.59	S	S	*	*			trans	-85.4	109.2	-162.9	-176.9	65.1	-90.3	0	0	109.1	S314 S318	S314-E316 WeakPolarHBondContact O-CA 3.33Å; S314-E316 PolarHBondContact O-N 2.66Å; E316-S318 PolarHBondContact O-N 3.27Å
317	C	87.2	Confident	68.6	Low	2 Å²	2	111.3 Å²	111.3	1%	0.014	56%	0.564	C	S	.	*			trans	-60	116.6	-177.9	156.5	0	0	0	0	110.1	E315 A319 W332 H343	E315-C317 PolarHBondContact O-N 2.72Å; C317-A319 PolarHBondContact O-N 3.45Å; C317-W332 HydrophobicContact CB-CH2 3.95Å; C317-W332 HydrophobicContact CB-CZ3 3.98Å; C317-H343 WeakPolarHBondContact CB-CE1 3.38Å; C317-H343 WeakPolarHBondContact CB-ND1 3.23Å; C317-H343 PolarHBondContact SG-N 3.22Å; C317-H343 PolarHBondContact SG-ND1 2.82Å
318	S	88.5	Confident	69.2	Low	40 Å²	40	115.7 Å²	115.7	28%	0.28	57%	0.567	S	S	.	*			trans	-70.6	13.7	-170.5	-65.6	0	0	0	0	115.3	E316 W341 Y342	E316-S318 PolarHBondContact O-N 3.27Å; S318-W341 PolarHBondContact N-O 3.14Å; S318-Y342 VanDerWaalsContact O-CE1 3.27Å; S318-Y342 WeakPolarHBondContact O-CE1 3.49Å
319	A	85.6	Confident	70.8	Confident	7 Å²	7	112.8 Å²	112.8	6%	0.058	56%	0.561	C	S	.	*			trans	-75.1	138.5	171.1	0	0	0	0	0	110.8	C317 P321 C322 Y342 C346	C317-A319 PolarHBondContact O-N 3.45Å; A319-P321 CarbonylContact O-C 3.53Å; A319-C322 PolarHBondContact O-N 2.89Å; A319-Y342 HydrophobicContact CB-CD1 4.07Å; A319-C346 HydrophobicContact CB-CB 3.64Å
320	R	81.8	Confident	71.9	Confident	219 Å²	219	107.3 Å²	107.3	83%	0.826	54%	0.535	S	S	*	.	S	Bend	trans	-126.8	103.4	172	-65.8	-171.6	176.8	-151.5	-2.4	109.1	Y363	R320-Y363 PolarHBondContact N-OH 3.04Å; R320-Y363 PolarHBondContact O-OH 2.87Å
321	P	80.5	Confident	73.5	Confident	114 Å²	114	103.8 Å²	103.8	74%	0.74	52%	0.524	S	S	*	.	S	Bend	cis	-76.6	146	2.1	31.9	-35.5	0	0	0	113.9	A319	A319-P321 CarbonylContact O-C 3.53Å
322	C	86	Confident	74.8	Confident	36 Å²	36	99.3 Å²	99.3	24%	0.243	50%	0.5	C	S	.	.			trans	-81.5	140.7	163.2	-176.7	0	0	0	0	108.9	A319 Q324	A319-C322 PolarHBondContact O-N 2.89Å; C322-Q324 HydrophobicContact CB-CG 4.48Å; C322-Q324 PolarHBondContact SG-N 3.45Å; C322-Q324 VanDerWaalsContact SG-N 3.42Å
323	K	80.9	Confident	76.5	Confident	137 Å²	137	90.3 Å²	90.3	60%	0.596	47%	0.466	S	S	*	.			trans	-90.1	-2.8	176.9	-59.4	-178.6	-177.5	167.7	0	113.6	V345 C346	K323-V345 WeakPolarHBondContact CD-O 3.42Å; K323-V345 WeakPolarHBondContact CE-O 3.39Å; K323-V345 PolarHBondContact NZ-O 3.07Å; K323-C346 PolarHBondContact N-SG 3.13Å
324	Q	78.2	Confident	78.4	Confident	124 Å²	124	86.5 Å²	86.5	58%	0.579	44%	0.444	S	S	*	.			trans	37.6	59.2	-176.9	-67.1	-177.1	-29.9	0	0	113.7	C322 Q326	C322-Q324 HydrophobicContact CB-CG 4.48Å; C322-Q324 PolarHBondContact SG-N 3.45Å; C322-Q324 VanDerWaalsContact SG-N 3.42Å; Q324-Q326 WeakPolarHBondContact O-CG 3.42Å; Q324-Q326 PolarHBondContact O-N 3.15Å
325	P	78.3	Confident	80	Confident	35 Å²	35	82.5 Å²	82.5	23%	0.227	42%	0.416	C	S	.	.			trans	-56.9	124.1	174.8	26.5	-35.3	0	0	0	110	D327 I330 H343 V345	P325-D327 VanDerWaalsContact C-N 3.31Å; P325-D327 PolarHBondContact O-N 3Å; P325-I330 HydrophobicContact CB-CG1 4.46Å; P325-I330 HydrophobicContact CB-CG2 4.42Å; P325-I330 HydrophobicContact CG-CD1 4.12Å; P325-I330 HydrophobicContact CG-CG1 4.15Å; P325-I330 HydrophobicContact CG-CG2 3.64Å; P325-I330 VanDerWaalsContact O-CD1 3.26Å; P325-I330 WeakPolarHBondContact O-CD1 3.24Å; P325-H343 WeakPolarHBondContact CD-ND1 3.41Å; P325-H343 HydrophobicContact CG-CB 4.17Å; P325-V345 HydrophobicContact CB-CG2 4.05Å; P325-V345 HydrophobicContact CG-CG2 3.78Å
326	Q	65.6	Low	81.3	Confident	188 Å²	188	80.5 Å²	80.5	88%	0.879	41%	0.409	S	S	*	.			trans	-90.4	13	-170.1	-59.1	-175.8	-11.9	0	0	114.1	Q324	Q324-Q326 WeakPolarHBondContact O-CG 3.42Å; Q324-Q326 PolarHBondContact O-N 3.15Å
327	D	70.3	Confident	81.8	Confident	64 Å²	64	82 Å²	82	34%	0.342	41%	0.41	S	S	.	.			trans	-76.1	158.1	176	-153.5	-53.8	0	0	0	110.5	P325 A329 I330	P325-D327 VanDerWaalsContact C-N 3.31Å; P325-D327 PolarHBondContact O-N 3Å; D327-A329 PolarHBondContact OD1-N 3.3Å; D327-I330 VanDerWaalsContact O-CG1 3.25Å; D327-I330 WeakPolarHBondContact O-CG1 3.02Å
328	I	65.4	Low	82.1	Confident	169 Å²	169	83.7 Å²	83.7	87%	0.867	42%	0.421	S	S	*	.	S	Bend	trans	-81.7	-24.5	172.3	-62.2	162.6	0	0	0	110
329	A	74.4	Confident	82.2	Confident	68 Å²	68	86.3 Å²	86.3	56%	0.562	44%	0.436	S	S	*	.	S	Bend	trans	-102.7	52.9	179.4	0	0	0	0	0	112.3	D327 D331	D327-A329 PolarHBondContact OD1-N 3.3Å; A329-D331 PolarHBondContact O-N 2.88Å
330	I	75.9	Confident	82.4	Confident	44 Å²	44	89.7 Å²	89.7	23%	0.226	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-70.7	120.1	174.7	-44.7	162.7	0	0	0	109.4	P325 D327 W332 H343	P325-I330 HydrophobicContact CB-CG1 4.46Å; P325-I330 HydrophobicContact CB-CG2 4.42Å; P325-I330 HydrophobicContact CG-CD1 4.12Å; P325-I330 HydrophobicContact CG-CG1 4.15Å; P325-I330 HydrophobicContact CG-CG2 3.64Å; P325-I330 VanDerWaalsContact O-CD1 3.26Å; P325-I330 WeakPolarHBondContact O-CD1 3.24Å; D327-I330 VanDerWaalsContact O-CG1 3.25Å; D327-I330 WeakPolarHBondContact O-CG1 3.02Å; I330-W332 PolarHBondContact O-N 3.48Å; I330-H343 HydrophobicContact CG2-CB 3.76Å; I330-H343 WeakPolarHBondContact CG2-CD2 3.35Å
331	D	85	Confident	82.8	Confident	97 Å²	97	83.5 Å²	83.5	52%	0.519	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-71.2	118.8	172.4	-76.1	-50.7	0	0	0	110.7	A329 Q344	A329-D331 PolarHBondContact O-N 2.88Å; D331-Q344 HydrophobicContact CB-CB 4.48Å; D331-Q344 HydrophobicContact CB-CG 4.27Å; D331-Q344 WeakPolarHBondContact O-CG 3.34Å; D331-Q344 PolarHBondContact O-N 3.29Å
332	W	87.6	Confident	83.3	Confident	58 Å²	58	78.2 Å²	78.2	22%	0.22	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	155.8	-178.6	-78.2	95.5	0	0	0	112.2	E315 C317 I330 W341 Y342 H343 Q344	E315-W332 HydrophobicContact CB-CH2 4.02Å; E315-W332 HydrophobicContact CB-CZ2 3.91Å; E315-W332 VanDerWaalsContact O-CH2 3.24Å; E315-W332 WeakPolarHBondContact O-CH2 3.45Å; C317-W332 HydrophobicContact CB-CH2 3.95Å; C317-W332 HydrophobicContact CB-CZ3 3.98Å; I330-W332 PolarHBondContact O-N 3.48Å; W332-W341 HydrophobicContact CB-CE3 3.92Å; W332-W341 HydrophobicContact CB-CZ3 3.96Å; W332-W341 HydrophobicContact CE3-CB 3.79Å; W332-W341 HydrophobicContact CE3-CE3 4.14Å; W332-W341 HydrophobicContact CZ3-CB 3.65Å; W332-Y342 CarbonylContact C-O 3.42Å; W332-Y342 VanDerWaalsContact CE3-C 3.47Å; W332-H343 AromaticContact CD2-CD2 3.87Å; W332-H343 AromaticContact CE2-CD2 3.58Å; W332-H343 AromaticContact CE2-NE2 3.86Å; W332-H343 AromaticContact CE3-CD2 3.92Å; W332-H343 AromaticContact CH2-CD2 3.49Å; W332-H343 VanDerWaalsContact CH2-CD2 3.49Å; W332-H343 WeakPolarHBondContact CH2-CD2 3.24Å; W332-H343 AromaticContact CH2-NE2 3.35Å; W332-H343 WeakPolarHBondContact CH2-NE2 3.39Å; W332-H343 AromaticContact CZ2-CD2 3.41Å; W332-H343 VanDerWaalsContact CZ2-CD2 3.41Å; W332-H343 WeakPolarHBondContact CZ2-CD2 3.27Å; W332-H343 AromaticContact CZ2-NE2 3.23Å; W332-H343 WeakPolarHBondContact CZ2-NE2 3.26Å; W332-H343 AromaticContact CZ3-CD2 3.74Å; W332-Q344 PolarHBondContact O-NE2 2.83Å
333	I	88.1	Confident	83.5	Confident	18 Å²	18	77 Å²	77	9%	0.092	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	142.4	167.3	-160.9	163.5	0	0	0	110.7	Y342 Q344 V347 L349 Y359	I333-Y342 PolarHBondContact N-O 2.98Å; I333-Y342 PolarHBondContact O-N 3.25Å; I333-Q344 HydrophobicContact CB-CG 3.99Å; I333-Q344 HydrophobicContact CG2-CG 4.08Å; I333-V347 HydrophobicContact CG2-CG2 4.21Å; I333-L349 HydrophobicContact CD1-CD1 3.61Å; I333-L349 HydrophobicContact CG2-CD1 4Å; I333-Y359 HydrophobicContact CB-CD1 4.45Å; I333-Y359 HydrophobicContact CD1-CD1 3.82Å; I333-Y359 HydrophobicContact CD1-CD2 3.98Å; I333-Y359 HydrophobicContact CD1-CG 3.5Å; I333-Y359 VanDerWaalsContact CD1-CG 3.5Å; I333-Y359 HydrophobicContact CG1-CD1 3.78Å; I333-Y359 HydrophobicContact CG1-CE1 4.46Å; I333-Y359 HydrophobicContact CG1-CG 3.96Å; I333-Y359 HydrophobicContact CG2-CD1 3.9Å; I333-Y359 HydrophobicContact CG2-CE1 3.71Å
334	Q	90.8	Very high	83.8	Confident	69 Å²	69	71.4 Å²	71.4	32%	0.322	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	141.4	174.9	-165.5	-175.4	-75.7	0	0	109.4	T339 W341 Y359	Q334-T339 WeakPolarHBondContact CG-O 3.14Å; Q334-W341 HydrophobicContact CB-CD2 4.08Å; Q334-W341 HydrophobicContact CB-CE3 4.09Å; Q334-W341 HydrophobicContact CB-CH2 3.86Å; Q334-W341 HydrophobicContact CB-CZ2 3.85Å; Q334-W341 HydrophobicContact CB-CZ3 3.99Å; Q334-W341 HydrophobicContact CG-CD2 4.31Å; Q334-W341 HydrophobicContact CG-CZ2 4.13Å; Q334-Y359 WeakPolarHBondContact O-CD1 3.41Å
335	C	90.5	Very high	84.2	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.353	C	S	.	.			trans	-85.6	123.7	170.9	177.7	0	0	0	0	111.2	R337 C338 T339 L340 Y342 Y359 C361	C335-R337 PolarHBondContact O-N 3.28Å; C335-R337 VanDerWaalsContact O-N 3.15Å; C335-C338 VanDerWaalsContact CB-SG 3.52Å; C335-C338 PolarHBondContact O-N 2.89Å; C335-T339 WeakPolarHBondContact O-CA 3.33Å; C335-T339 PolarHBondContact O-N 3.22Å; C335-L340 PolarHBondContact N-O 3.31Å; C335-Y342 HydrophobicContact CB-CD2 4.3Å; C335-Y342 HydrophobicContact CB-CE2 3.73Å; C335-Y359 CarbonylContact C-O 3.5Å; C335-Y359 WeakPolarHBondContact CA-O 3.28Å; C335-C361 HydrophobicContact CB-CB 4Å; C335-C361 PolarHBondContact SG-N 3.2Å; C335-C361 VanDerWaalsContact SG-SG 3.63Å
336	D	90.3	Very high	84.6	Confident	82 Å²	82	68 Å²	68	44%	0.439	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-8	-177.5	-59.5	-56.1	0	0	0	114.3	T358 Y359 Y360	D336-T358 HydrophobicContact CB-CG2 4.25Å; D336-T358 VanDerWaalsContact OD2-CA 3.3Å; D336-T358 WeakPolarHBondContact OD2-CA 3.38Å; D336-T358 WeakPolarHBondContact OD2-CG2 3.13Å; D336-Y359 PolarHBondContact N-O 2.82Å; D336-Y359 PolarHBondContact OD2-N 3.42Å; D336-Y360 HydrophobicContact CB-CD1 4.24Å; D336-Y360 HydrophobicContact CB-CE1 3.87Å
337	R	87.7	Confident	85.7	Confident	151 Å²	151	60.3 Å²	60.3	57%	0.57	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-36.4	175.8	-92.3	176	173.6	-153.2	-5.8	114.1	C335 Y360 C364 K366	C335-R337 PolarHBondContact O-N 3.28Å; C335-R337 VanDerWaalsContact O-N 3.15Å; R337-Y360 HydrophobicContact CB-CD1 4.06Å; R337-Y360 HydrophobicContact CB-CE1 4.47Å; R337-Y360 HydrophobicContact CG-CD1 3.66Å; R337-Y360 HydrophobicContact CG-CE1 3.75Å; R337-Y360 HydrophobicContact CG-CG 4.49Å; R337-C364 HydrophobicContact CB-CB 3.67Å; R337-C364 WeakPolarHBondContact CD-O 3.29Å; R337-C364 HydrophobicContact CG-CB 4.4Å; R337-C364 PolarHBondContact NH1-O 3.49Å; R337-K366 PolarHBondContact NH1-OXT 2.78Å
338	C	92	Very high	86.3	Confident	38 Å²	38	59.8 Å²	59.8	26%	0.257	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	1.7	-177.2	63.9	0	0	0	0	114.3	C335 L340	C335-C338 VanDerWaalsContact CB-SG 3.52Å; C335-C338 PolarHBondContact O-N 2.89Å; C338-L340 HydrophobicContact CB-CG 4.34Å; C338-L340 PolarHBondContact O-N 3.23Å
339	T	91.2	Very high	87.2	Confident	95 Å²	95	53.1 Å²	53.1	58%	0.583	29%	0.29	S	S	*	.			trans	53.7	3.1	-175.8	62.2	0	0	0	0	116.3	Q334 C335	Q334-T339 WeakPolarHBondContact CG-O 3.14Å; C335-T339 WeakPolarHBondContact O-CA 3.33Å; C335-T339 PolarHBondContact O-N 3.22Å
340	L	90.2	Very high	87.3	Confident	78 Å²	78	56 Å²	56	41%	0.408	29%	0.29	S	S	.	.			trans	-70.3	147.6	178.4	-62.9	-179.7	0	0	0	111.8	C335 C338 Y342	C335-L340 PolarHBondContact N-O 3.31Å; C338-L340 HydrophobicContact CB-CG 4.34Å; C338-L340 PolarHBondContact O-N 3.23Å; L340-Y342 HydrophobicContact CB-CE2 3.77Å; L340-Y342 VanDerWaalsContact O-CD2 3.28Å; L340-Y342 WeakPolarHBondContact O-CD2 3.38Å; L340-Y342 VanDerWaalsContact O-CE2 3.28Å; L340-Y342 WeakPolarHBondContact O-CE2 3.41Å
341	W	90.9	Very high	87.3	Confident	89 Å²	89	58.4 Å²	58.4	34%	0.337	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	136.9	179.9	-76.3	93.7	0	0	0	111.7	S318 W332 Q334	S318-W341 PolarHBondContact N-O 3.14Å; W332-W341 HydrophobicContact CB-CE3 3.92Å; W332-W341 HydrophobicContact CB-CZ3 3.96Å; W332-W341 HydrophobicContact CE3-CB 3.79Å; W332-W341 HydrophobicContact CE3-CE3 4.14Å; W332-W341 HydrophobicContact CZ3-CB 3.65Å; Q334-W341 HydrophobicContact CB-CD2 4.08Å; Q334-W341 HydrophobicContact CB-CE3 4.09Å; Q334-W341 HydrophobicContact CB-CH2 3.86Å; Q334-W341 HydrophobicContact CB-CZ2 3.85Å; Q334-W341 HydrophobicContact CB-CZ3 3.99Å; Q334-W341 HydrophobicContact CG-CD2 4.31Å; Q334-W341 HydrophobicContact CG-CZ2 4.13Å
342	Y	90	Very high	86.7	Confident	3 Å²	3	58.1 Å²	58.1	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138	-178.3	-59.8	-91.2	0	0	0	110.1	S318 A319 W332 I333 C335 L340 Q344 V347 C361 Y363	S318-Y342 VanDerWaalsContact O-CE1 3.27Å; S318-Y342 WeakPolarHBondContact O-CE1 3.49Å; A319-Y342 HydrophobicContact CB-CD1 4.07Å; W332-Y342 CarbonylContact C-O 3.42Å; W332-Y342 VanDerWaalsContact CE3-C 3.47Å; I333-Y342 PolarHBondContact N-O 2.98Å; I333-Y342 PolarHBondContact O-N 3.25Å; C335-Y342 HydrophobicContact CB-CD2 4.3Å; C335-Y342 HydrophobicContact CB-CE2 3.73Å; L340-Y342 HydrophobicContact CB-CE2 3.77Å; L340-Y342 VanDerWaalsContact O-CD2 3.28Å; L340-Y342 WeakPolarHBondContact O-CD2 3.38Å; L340-Y342 VanDerWaalsContact O-CE2 3.28Å; L340-Y342 WeakPolarHBondContact O-CE2 3.41Å; Y342-Q344 PolarHBondContact O-N 3.29Å; Y342-V347 HydrophobicContact CD1-CG1 3.54Å; Y342-V347 HydrophobicContact CE1-CG1 4.34Å; Y342-V347 HydrophobicContact CG-CG1 3.72Å; Y342-C361 HydrophobicContact CD2-CB 4.22Å; Y342-C361 HydrophobicContact CE1-CB 4.24Å; Y342-C361 HydrophobicContact CE2-CB 3.63Å; Y342-C361 PolarHBondContact OH-SG 2.81Å; Y342-Y363 HydrophobicContact CE1-CD2 4.46Å; Y342-Y363 HydrophobicContact CE1-CE2 4.22Å
343	H	89.3	Confident	85.9	Confident	11 Å²	11	59.1 Å²	59.1	5%	0.051	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.9	161	-49.4	139.1	0	0	0	108.8	C317 P325 I330 W332 V345 C346 V347	C317-H343 WeakPolarHBondContact CB-CE1 3.38Å; C317-H343 WeakPolarHBondContact CB-ND1 3.23Å; C317-H343 PolarHBondContact SG-N 3.22Å; C317-H343 PolarHBondContact SG-ND1 2.82Å; P325-H343 WeakPolarHBondContact CD-ND1 3.41Å; P325-H343 HydrophobicContact CG-CB 4.17Å; I330-H343 HydrophobicContact CG2-CB 3.76Å; I330-H343 WeakPolarHBondContact CG2-CD2 3.35Å; W332-H343 AromaticContact CD2-CD2 3.87Å; W332-H343 AromaticContact CE2-CD2 3.58Å; W332-H343 AromaticContact CE2-NE2 3.86Å; W332-H343 AromaticContact CE3-CD2 3.92Å; W332-H343 AromaticContact CH2-CD2 3.49Å; W332-H343 VanDerWaalsContact CH2-CD2 3.49Å; W332-H343 WeakPolarHBondContact CH2-CD2 3.24Å; W332-H343 AromaticContact CH2-NE2 3.35Å; W332-H343 WeakPolarHBondContact CH2-NE2 3.39Å; W332-H343 AromaticContact CZ2-CD2 3.41Å; W332-H343 VanDerWaalsContact CZ2-CD2 3.41Å; W332-H343 WeakPolarHBondContact CZ2-CD2 3.27Å; W332-H343 AromaticContact CZ2-NE2 3.23Å; W332-H343 WeakPolarHBondContact CZ2-NE2 3.26Å; W332-H343 AromaticContact CZ3-CD2 3.74Å; H343-V345 HydrophobicContact CB-CG2 4.13Å; H343-V345 PolarHBondContact O-N 2.79Å; H343-C346 HydrophobicContact CB-CB 4.12Å; H343-C346 WeakPolarHBondContact O-CB 3.23Å; H343-C346 PolarHBondContact O-N 2.75Å; H343-V347 PolarHBondContact O-N 2.93Å
344	Q	87.3	Confident	84.7	Confident	18 Å²	18	59.4 Å²	59.4	8%	0.084	33%	0.326	C	S	.	.	H	α-helix	trans	-55	-41.3	-178.7	-71	173.9	19	0	0	112	D331 W332 I333 Y342 C346 V347 G348 L349 A354	D331-Q344 HydrophobicContact CB-CB 4.48Å; D331-Q344 HydrophobicContact CB-CG 4.27Å; D331-Q344 WeakPolarHBondContact O-CG 3.34Å; D331-Q344 PolarHBondContact O-N 3.29Å; W332-Q344 PolarHBondContact O-NE2 2.83Å; I333-Q344 HydrophobicContact CB-CG 3.99Å; I333-Q344 HydrophobicContact CG2-CG 4.08Å; Y342-Q344 PolarHBondContact O-N 3.29Å; Q344-C346 VanDerWaalsContact C-N 3.26Å; Q344-C346 PolarHBondContact O-N 3.29Å; Q344-V347 VanDerWaalsContact O-CG2 3.27Å; Q344-V347 WeakPolarHBondContact O-CG2 3.49Å; Q344-V347 PolarHBondContact O-N 3.06Å; Q344-G348 PolarHBondContact O-N 2.85Å; Q344-L349 HydrophobicContact CB-CB 4.12Å; Q344-L349 HydrophobicContact CG-CD1 4.33Å; Q344-L349 PolarHBondContact O-N 2.9Å; Q344-A354 VanDerWaalsContact CD-CB 3.44Å; Q344-A354 HydrophobicContact CG-CB 4.5Å
345	V	87	Confident	83.5	Confident	70 Å²	70	61.6 Å²	61.6	42%	0.424	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-24.7	176.2	-61	0	0	0	0	114.3	K323 P325 H343	K323-V345 WeakPolarHBondContact CD-O 3.42Å; K323-V345 WeakPolarHBondContact CE-O 3.39Å; K323-V345 PolarHBondContact NZ-O 3.07Å; P325-V345 HydrophobicContact CB-CG2 4.05Å; P325-V345 HydrophobicContact CG-CG2 3.78Å; H343-V345 HydrophobicContact CB-CG2 4.13Å; H343-V345 PolarHBondContact O-N 2.79Å
346	C	87.7	Confident	82.5	Confident	18 Å²	18	65.3 Å²	65.3	12%	0.122	36%	0.362	C	S	.	.	H	α-helix	trans	-81	-31.2	178	-65.5	0	0	0	0	112.1	A319 K323 H343 Q344	A319-C346 HydrophobicContact CB-CB 3.64Å; K323-C346 PolarHBondContact N-SG 3.13Å; H343-C346 HydrophobicContact CB-CB 4.12Å; H343-C346 WeakPolarHBondContact O-CB 3.23Å; H343-C346 PolarHBondContact O-N 2.75Å; Q344-C346 VanDerWaalsContact C-N 3.26Å; Q344-C346 PolarHBondContact O-N 3.29Å
347	V	87.5	Confident	81.9	Confident	26 Å²	26	70.8 Å²	70.8	16%	0.158	39%	0.386	C	S	.	.	H	α-helix	trans	-90.8	-2.5	173	-69.4	0	0	0	0	113.9	I333 Y342 H343 Q344 L349 Y359	I333-V347 HydrophobicContact CG2-CG2 4.21Å; Y342-V347 HydrophobicContact CD1-CG1 3.54Å; Y342-V347 HydrophobicContact CE1-CG1 4.34Å; Y342-V347 HydrophobicContact CG-CG1 3.72Å; H343-V347 PolarHBondContact O-N 2.93Å; Q344-V347 VanDerWaalsContact O-CG2 3.27Å; Q344-V347 WeakPolarHBondContact O-CG2 3.49Å; Q344-V347 PolarHBondContact O-N 3.06Å; V347-L349 HydrophobicContact CG2-CD1 3.93Å; V347-L349 HydrophobicContact CG2-CG 4.03Å; V347-Y359 WeakPolarHBondContact CB-OH 3.27Å; V347-Y359 WeakPolarHBondContact CG1-OH 3.19Å; V347-Y359 VanDerWaalsContact CG2-OH 3.29Å; V347-Y359 WeakPolarHBondContact CG2-OH 3.23Å
348	G	84.4	Confident	81.8	Confident	54 Å²	54	67.2 Å²	67.2	56%	0.557	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	8.2	172.9	0	0	0	0	0	115.4	Q344	Q344-G348 PolarHBondContact O-N 2.85Å
349	L	83.2	Confident	81.5	Confident	29 Å²	29	65.9 Å²	65.9	15%	0.152	37%	0.37	C	S	.	.			trans	-72.5	142.6	176.3	-66.5	171.1	0	0	0	111.4	I333 Q344 V347 E353 Y359	I333-L349 HydrophobicContact CD1-CD1 3.61Å; I333-L349 HydrophobicContact CG2-CD1 4Å; Q344-L349 HydrophobicContact CB-CB 4.12Å; Q344-L349 HydrophobicContact CG-CD1 4.33Å; Q344-L349 PolarHBondContact O-N 2.9Å; V347-L349 HydrophobicContact CG2-CD1 3.93Å; V347-L349 HydrophobicContact CG2-CG 4.03Å; L349-E353 HydrophobicContact CD2-CB 3.96Å; L349-Y359 HydrophobicContact CD1-CD2 3.96Å; L349-Y359 HydrophobicContact CD1-CE2 3.68Å; L349-Y359 HydrophobicContact CD2-CE2 4.18Å; L349-Y359 HydrophobicContact CG-CE2 4.19Å
350	K	75.8	Confident	81.4	Confident	128 Å²	128	65.8 Å²	65.8	56%	0.557	36%	0.36	S	S	*	.			trans	-88.5	157.3	165.3	-64.2	167	-172.5	159.5	0	110.6	S352 E353 A354	K350-S352 PolarHBondContact O-N 3.04Å; K350-E353 HydrophobicContact CB-CG 4.4Å; K350-E353 PolarHBondContact N-OE2 2.8Å; K350-E353 PolarHBondContact O-N 3.28Å; K350-A354 PolarHBondContact O-N 2.95Å; K350-A354 VanDerWaalsContact O-N 3.13Å
351	P	76.3	Confident	81.3	Confident	94 Å²	94	62.1 Å²	62.1	61%	0.61	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-15.7	175.6	-27	35.9	0	0	0	115.5
352	S	72.7	Confident	81	Confident	91 Å²	91	61 Å²	61	64%	0.636	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-31.7	171	52.3	0	0	0	0	113.8	K350	K350-S352 PolarHBondContact O-N 3.04Å
353	E	71	Confident	80.8	Confident	79 Å²	79	66.2 Å²	66.2	37%	0.369	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-18.7	-176.7	-63.2	159.5	169.6	0	0	111.6	L349 K350 N355	L349-E353 HydrophobicContact CD2-CB 3.96Å; K350-E353 HydrophobicContact CB-CG 4.4Å; K350-E353 PolarHBondContact N-OE2 2.8Å; K350-E353 PolarHBondContact O-N 3.28Å; E353-N355 PolarHBondContact O-N 3.07Å
354	A	62.7	Low	80.8	Confident	24 Å²	24	66.9 Å²	66.9	20%	0.198	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.9	174.1	0	0	0	0	0	114.8	Q344 K350 V356	Q344-A354 VanDerWaalsContact CD-CB 3.44Å; Q344-A354 HydrophobicContact CG-CB 4.5Å; K350-A354 PolarHBondContact O-N 2.95Å; K350-A354 VanDerWaalsContact O-N 3.13Å; A354-V356 PolarHBondContact O-N 2.74Å
355	N	64.9	Low	80.6	Confident	115 Å²	115	72.5 Å²	72.5	62%	0.615	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	32.3	-174.7	-152.7	114.9	0	0	0	112.5	R208 E353	R208-N355 PolarHBondContact NH2-OD1 3.22Å; E353-N355 PolarHBondContact O-N 3.07Å
356	V	71.3	Confident	79.9	Confident	78 Å²	78	79.4 Å²	79.4	47%	0.473	42%	0.419	S	S	.	.			trans	-86.3	141.6	171.9	-70.3	0	0	0	0	110.4	A354 T358	A354-V356 PolarHBondContact O-N 2.74Å; V356-T358 WeakPolarHBondContact CG2-O 3.18Å; V356-T358 PolarHBondContact O-N 3.19Å
357	E	77.9	Confident	79.5	Confident	198 Å²	198	82.5 Å²	82.5	93%	0.925	43%	0.434	S	S	*	.	S	Bend	trans	-71.2	-10.7	177.4	-61.4	-179.3	154	0	0	113.2
358	T	84.6	Confident	79.1	Confident	75 Å²	75	85.4 Å²	85.4	46%	0.46	45%	0.448	S	S	.	.			trans	-150.6	130.6	178.1	-54.9	0	0	0	0	109.5	D336 V356 Y360	D336-T358 HydrophobicContact CB-CG2 4.25Å; D336-T358 VanDerWaalsContact OD2-CA 3.3Å; D336-T358 WeakPolarHBondContact OD2-CA 3.38Å; D336-T358 WeakPolarHBondContact OD2-CG2 3.13Å; V356-T358 WeakPolarHBondContact CG2-O 3.18Å; V356-T358 PolarHBondContact O-N 3.19Å; T358-Y360 HydrophobicContact CG2-CE1 3.78Å; T358-Y360 HydrophobicContact CG2-CE2 4.08Å; T358-Y360 WeakPolarHBondContact CG2-OH 3.28Å
359	Y	86.4	Confident	78.8	Confident	11 Å²	11	87.2 Å²	87.2	4%	0.043	44%	0.442	C	S	.	.			trans	-129.5	128.2	179	172.5	-103	0	0	0	112.3	I333 Q334 C335 D336 V347 L349 C361	I333-Y359 HydrophobicContact CB-CD1 4.45Å; I333-Y359 HydrophobicContact CD1-CD1 3.82Å; I333-Y359 HydrophobicContact CD1-CD2 3.98Å; I333-Y359 HydrophobicContact CD1-CG 3.5Å; I333-Y359 VanDerWaalsContact CD1-CG 3.5Å; I333-Y359 HydrophobicContact CG1-CD1 3.78Å; I333-Y359 HydrophobicContact CG1-CE1 4.46Å; I333-Y359 HydrophobicContact CG1-CG 3.96Å; I333-Y359 HydrophobicContact CG2-CD1 3.9Å; I333-Y359 HydrophobicContact CG2-CE1 3.71Å; Q334-Y359 WeakPolarHBondContact O-CD1 3.41Å; C335-Y359 CarbonylContact C-O 3.5Å; C335-Y359 WeakPolarHBondContact CA-O 3.28Å; D336-Y359 PolarHBondContact N-O 2.82Å; D336-Y359 PolarHBondContact OD2-N 3.42Å; V347-Y359 WeakPolarHBondContact CB-OH 3.27Å; V347-Y359 WeakPolarHBondContact CG1-OH 3.19Å; V347-Y359 VanDerWaalsContact CG2-OH 3.29Å; V347-Y359 WeakPolarHBondContact CG2-OH 3.23Å; L349-Y359 HydrophobicContact CD1-CD2 3.96Å; L349-Y359 HydrophobicContact CD1-CE2 3.68Å; L349-Y359 HydrophobicContact CD2-CE2 4.18Å; L349-Y359 HydrophobicContact CG-CE2 4.19Å; Y359-C361 HydrophobicContact CE1-CB 4.08Å; Y359-C361 WeakPolarHBondContact OH-CA 3.38Å
360	Y	88.4	Confident	78.6	Confident	93 Å²	93	90.6 Å²	90.6	37%	0.365	46%	0.46	S	S	.	.			trans	-112.8	131.1	170.5	-52.9	-50.2	0	0	0	110.2	D336 R337 T358 K365	D336-Y360 HydrophobicContact CB-CD1 4.24Å; D336-Y360 HydrophobicContact CB-CE1 3.87Å; R337-Y360 HydrophobicContact CB-CD1 4.06Å; R337-Y360 HydrophobicContact CB-CE1 4.47Å; R337-Y360 HydrophobicContact CG-CD1 3.66Å; R337-Y360 HydrophobicContact CG-CE1 3.75Å; R337-Y360 HydrophobicContact CG-CG 4.49Å; T358-Y360 HydrophobicContact CG2-CE1 3.78Å; T358-Y360 HydrophobicContact CG2-CE2 4.08Å; T358-Y360 WeakPolarHBondContact CG2-OH 3.28Å; Y360-K365 VanDerWaalsContact O-CD 3.24Å; Y360-K365 WeakPolarHBondContact O-CD 2.98Å; Y360-K365 WeakPolarHBondContact O-CE 3.13Å; Y360-K365 WeakPolarHBondContact O-CG 3.33Å; Y360-K365 PolarHBondContact O-NZ 3.45Å
361	C	87.9	Confident	78.7	Confident	0 Å²	0	88.3 Å²	88.3	0%	0	45%	0.453	C	S	.	.			trans	-73.2	163.8	179.4	74.7	0	0	0	0	112.5	C335 Y342 Y359 Y363 C364 K365	C335-C361 HydrophobicContact CB-CB 4Å; C335-C361 PolarHBondContact SG-N 3.2Å; C335-C361 VanDerWaalsContact SG-SG 3.63Å; Y342-C361 HydrophobicContact CD2-CB 4.22Å; Y342-C361 HydrophobicContact CE1-CB 4.24Å; Y342-C361 HydrophobicContact CE2-CB 3.63Å; Y342-C361 PolarHBondContact OH-SG 2.81Å; Y359-C361 HydrophobicContact CE1-CB 4.08Å; Y359-C361 WeakPolarHBondContact OH-CA 3.38Å; C361-Y363 PolarHBondContact O-N 2.9Å; C361-C364 CarbonylContact O-C 3.34Å; C361-C364 PolarHBondContact O-N 2.96Å; C361-C364 VanDerWaalsContact SG-SG 3.65Å; C361-K365 PolarHBondContact O-N 3.04Å
362	P	84.4	Confident	78.9	Confident	66 Å²	66	87.9 Å²	87.9	43%	0.429	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.5	-177.7	-27.4	36.4	0	0	0	115.3
363	Y	86.1	Confident	79.3	Confident	113 Å²	113	87.6 Å²	87.6	44%	0.443	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-29	175.3	-46.3	-75.1	0	0	0	112.4	R320 Y342 C361	R320-Y363 PolarHBondContact N-OH 3.04Å; R320-Y363 PolarHBondContact O-OH 2.87Å; Y342-Y363 HydrophobicContact CE1-CD2 4.46Å; Y342-Y363 HydrophobicContact CE1-CE2 4.22Å; C361-Y363 PolarHBondContact O-N 2.9Å
364	C	89.7	Confident	80	Confident	24 Å²	24	88.3 Å²	88.3	16%	0.162	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	1.1	-179.5	-63.1	0	0	0	0	113.9	R337 C361 K366	R337-C364 HydrophobicContact CB-CB 3.67Å; R337-C364 WeakPolarHBondContact CD-O 3.29Å; R337-C364 HydrophobicContact CG-CB 4.4Å; R337-C364 PolarHBondContact NH1-O 3.49Å; C361-C364 CarbonylContact O-C 3.34Å; C361-C364 PolarHBondContact O-N 2.96Å; C361-C364 VanDerWaalsContact SG-SG 3.65Å; C364-K366 VanDerWaalsContact C-N 3.31Å
365	K	82.4	Confident	81.4	Confident	137 Å²	137	93.7 Å²	93.7	60%	0.596	45%	0.453	S	S	*	.			trans	-88.7	-0.2	165.7	-81	-179.4	167	160	0	113.1	Y360 C361	Y360-K365 VanDerWaalsContact O-CD 3.24Å; Y360-K365 WeakPolarHBondContact O-CD 2.98Å; Y360-K365 WeakPolarHBondContact O-CE 3.13Å; Y360-K365 WeakPolarHBondContact O-CG 3.33Å; Y360-K365 PolarHBondContact O-NZ 3.45Å; C361-K365 PolarHBondContact O-N 3.04Å
366	K	72.8	Confident	82.9	Confident	214 Å²	214	91.7 Å²	91.7	93%	0.93	44%	0.439	S	S	*	.			trans	-80.8	0	158.8	-58.5	-176	-179.3	-175.5	0	109.7	R337 C364	R337-K366 PolarHBondContact NH1-OXT 2.78Å; C364-K366 VanDerWaalsContact C-N 3.31Å

Retrieved 366 of 366 residues in 51.2 ms (Link to these results)

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