A0A077Z5V6_TRITR Loading...

PID and SH2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5V6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 331 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	33.5	Very low	39.9	Very low	240 Å²	240	117.9 Å²	117.9	100%	1.182	69%	0.69	S	S	*	*				0	109.5	0	-70	-173.5	-179.8	0	0	106
2	D	32.8	Very low	39.6	Very low	153 Å²	153	113.2 Å²	113.2	82%	0.818	68%	0.675	S	S	*	*			trans	49.8	84.4	167.8	-52.3	-10.4	0	0	0	119.3	T4	D2-T4 PolarHBondContact O-N 3.37Å
3	G	29.4	Very low	39.6	Very low	79 Å²	79	112.7 Å²	112.7	81%	0.814	69%	0.691	S	S	*	*			trans	-78.5	100.5	161	0	0	0	0	0	110.1	T5	G3-T5 PolarHBondContact O-N 3.37Å
4	T	39.2	Very low	40.2	Very low	96 Å²	96	114.4 Å²	114.4	59%	0.589	70%	0.702	S	S	*	*			trans	-87.2	96.4	175.7	-34.9	0	0	0	0	108.6	D2 N6	D2-T4 PolarHBondContact O-N 3.37Å; T4-N6 VanDerWaalsContact C-N 3.32Å; T4-N6 WeakPolarHBondContact CG2-OD1 3.49Å; T4-N6 PolarHBondContact O-N 3Å
5	T	40.8	Very low	41.4	Very low	137 Å²	137	110.4 Å²	110.4	84%	0.84	69%	0.685	S	S	*	*			trans	-72.9	87.3	169.1	48.6	0	0	0	0	109.2	G3 A7	G3-T5 PolarHBondContact O-N 3.37Å; T5-A7 VanDerWaalsContact C-N 3.34Å; T5-A7 PolarHBondContact O-N 3.12Å; T5-A7 VanDerWaalsContact O-N 3.12Å
6	N	45.7	Very low	43.5	Very low	92 Å²	92	107.5 Å²	107.5	49%	0.492	66%	0.661	S	S	.	*			trans	-81.8	81.1	171.7	-75.9	-24.8	0	0	0	109.5	T4 L17	T4-N6 VanDerWaalsContact C-N 3.32Å; T4-N6 WeakPolarHBondContact CG2-OD1 3.49Å; T4-N6 PolarHBondContact O-N 3Å; N6-L17 HydrophobicContact CB-CD2 4.29Å
7	A	45.9	Very low	46.2	Very low	52 Å²	52	102.8 Å²	102.8	43%	0.43	63%	0.63	S	S	.	*			trans	-70.2	136.2	168.4	0	0	0	0	0	109.6	T5 H9	T5-A7 VanDerWaalsContact C-N 3.34Å; T5-A7 PolarHBondContact O-N 3.12Å; T5-A7 VanDerWaalsContact O-N 3.12Å; A7-H9 PolarHBondContact O-N 3.05Å
8	L	50.6	Low	48.7	Very low	28 Å²	28	100.4 Å²	100.4	15%	0.147	62%	0.619	C	S	.	*			trans	-69.1	76.4	165.4	-74	164	0	0	0	108.1	L17 Q162 L166	L8-L17 HydrophobicContact CD1-CD1 3.97Å; L8-L17 HydrophobicContact CD2-CD1 3.8Å; L8-L17 HydrophobicContact CD2-CG 3.88Å; L8-L17 HydrophobicContact CG-CD1 3.66Å; L8-L17 HydrophobicContact CG-CG 4.31Å; L8-Q162 HydrophobicContact CD1-CB 3.89Å; L8-L166 HydrophobicContact CB-CD1 4.03Å
9	H	43.1	Very low	51.1	Low	160 Å²	160	96.5 Å²	96.5	74%	0.741	59%	0.591	S	S	*	*			trans	-70.8	140.2	175.4	-88.1	173.4	0	0	0	111	A7 N11	A7-H9 PolarHBondContact O-N 3.05Å; H9-N11 PolarHBondContact O-N 2.92Å
10	S	41.1	Very low	53.2	Low	92 Å²	92	95.8 Å²	95.8	64%	0.643	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	24.6	-157.4	44	0	0	0	0	117.1
11	N	37.2	Very low	55.2	Low	168 Å²	168	91.7 Å²	91.7	90%	0.898	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.9	14.8	-176.7	-97.6	-12	0	0	0	116.2	H9	H9-N11 PolarHBondContact O-N 2.92Å
12	A	35.6	Very low	58.2	Low	61 Å²	61	84.1 Å²	84.1	50%	0.504	52%	0.517	S	S	.	.			trans	-109	91.6	168.7	0	0	0	0	0	109.7	T14 A15	A12-T14 PolarHBondContact O-N 3.12Å; A12-A15 HydrophobicContact CB-CB 3.82Å; A12-A15 PolarHBondContact O-N 2.71Å
13	A	40.2	Very low	61.3	Low	107 Å²	107	77 Å²	77	88%	0.884	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	7.5	-177.7	0	0	0	0	0	115.5
14	T	48.2	Very low	64.5	Low	137 Å²	137	73.4 Å²	73.4	84%	0.84	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.9	15.6	-179	54.4	0	0	0	0	114.5	A12 E16	A12-T14 PolarHBondContact O-N 3.12Å; T14-E16 PolarHBondContact O-N 3.3Å
15	A	58	Low	67.2	Low	54 Å²	54	68.9 Å²	68.9	45%	0.446	41%	0.413	S	S	.	.			trans	-77	96	176.5	0	0	0	0	0	110.2	A12	A12-A15 HydrophobicContact CB-CB 3.82Å; A12-A15 PolarHBondContact O-N 2.71Å
16	E	75.1	Confident	69.9	Low	64 Å²	64	62.6 Å²	62.6	30%	0.299	37%	0.374	S	S	.	.			trans	-84.3	116.6	169.9	-170.2	175	-132.5	0	0	108.3	T14 F91 H96 R98	T14-E16 PolarHBondContact O-N 3.3Å; E16-F91 VanDerWaalsContact CD-CB 3.42Å; E16-F91 HydrophobicContact CG-CB 3.76Å; E16-F91 HydrophobicContact CG-CD1 3.92Å; E16-F91 HydrophobicContact CG-CG 4.31Å; E16-F91 VanDerWaalsContact OE1-CB 3.31Å; E16-F91 WeakPolarHBondContact OE1-CB 3.16Å; E16-F91 WeakPolarHBondContact OE2-CD1 3.32Å; E16-H96 IonicContact OE1-CD2 3.92Å; E16-H96 IonicContact OE1-NE2 3.82Å; E16-R98 IonicContact OE1-NE 3.12Å; E16-R98 IonicContact OE1-NH2 3.97Å; E16-R98 IonicContact OE2-CZ 2.92Å; E16-R98 IonicContact OE2-NH2 3.89Å; E16-R98 PolarHBondContact OE2-NH2 2.88Å
17	L	89.3	Confident	72.3	Confident	27 Å²	27	58.2 Å²	58.2	14%	0.141	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	144.2	173	-69.8	174.8	0	0	0	109.2	N6 L8 Y19 F91 I92 A159	N6-L17 HydrophobicContact CB-CD2 4.29Å; L8-L17 HydrophobicContact CD1-CD1 3.97Å; L8-L17 HydrophobicContact CD2-CD1 3.8Å; L8-L17 HydrophobicContact CD2-CG 3.88Å; L8-L17 HydrophobicContact CG-CD1 3.66Å; L8-L17 HydrophobicContact CG-CG 4.31Å; L17-Y19 HydrophobicContact CB-CE2 3.93Å; L17-F91 CarbonylContact O-C 3.57Å; L17-F91 WeakPolarHBondContact O-CA 3.29Å; L17-I92 HydrophobicContact CB-CB 4.37Å; L17-I92 PolarHBondContact N-O 2.82Å; L17-I92 PolarHBondContact O-N 2.9Å; L17-A159 HydrophobicContact CD1-CB 3.74Å
18	S	90.9	Very high	74.7	Confident	61 Å²	61	56 Å²	56	43%	0.427	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.2	178.8	65.9	0	0	0	0	112.2	L90	S18-L90 CarbonylContact C-O 3.52Å; S18-L90 VanDerWaalsContact CA-O 3.29Å; S18-L90 WeakPolarHBondContact CA-O 3.49Å
19	Y	93.9	Very high	76.8	Confident	25 Å²	25	54.9 Å²	54.9	10%	0.098	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.1	179.1	-63.3	-85.7	0	0	0	110.3	L17 R89 L90 I92 E155 I156 A159	L17-Y19 HydrophobicContact CB-CE2 3.93Å; Y19-R89 WeakPolarHBondContact O-CA 3.19Å; Y19-L90 PolarHBondContact N-O 2.92Å; Y19-L90 PolarHBondContact O-N 3.42Å; Y19-I92 HydrophobicContact CD2-CD1 3.67Å; Y19-I92 HydrophobicContact CD2-CG1 4.42Å; Y19-I92 HydrophobicContact CE2-CD1 3.7Å; Y19-E155 HydrophobicContact CE1-CG 4.21Å; Y19-E155 VanDerWaalsContact CE1-OE1 3.27Å; Y19-E155 WeakPolarHBondContact CE1-OE1 3.29Å; Y19-E155 PolarHBondContact OH-OE1 3.09Å; Y19-I156 HydrophobicContact CD1-CD1 4.09Å; Y19-I156 HydrophobicContact CD1-CG1 3.55Å; Y19-I156 HydrophobicContact CD2-CG1 3.94Å; Y19-I156 HydrophobicContact CE1-CG1 3.91Å; Y19-I156 HydrophobicContact CE2-CG1 4.26Å; Y19-I156 HydrophobicContact CG-CD1 4.07Å; Y19-I156 HydrophobicContact CG-CG1 3.57Å; Y19-A159 HydrophobicContact CE2-CB 4.17Å
20	D	93.7	Very high	79.1	Confident	83 Å²	83	50 Å²	50	44%	0.444	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.3	174.9	-69.4	-8.9	0	0	0	109	V88 R89 L102	D20-V88 WeakPolarHBondContact CA-O 3.48Å; D20-R89 IonicContact OD1-CZ 3.12Å; D20-R89 IonicContact OD1-NE 2.77Å; D20-R89 PolarHBondContact OD1-NE 2.91Å; D20-R89 IonicContact OD1-NH2 3.04Å; D20-R89 PolarHBondContact OD1-NH2 3.44Å; D20-R89 VanDerWaalsContact OD1-NH2 3.12Å; D20-R89 IonicContact OD2-CZ 3.19Å; D20-R89 IonicContact OD2-NE 3.1Å; D20-R89 IonicContact OD2-NH2 3.53Å; D20-R89 PolarHBondContact OD2-NH2 3.46Å; D20-L102 HydrophobicContact CB-CD1 4.1Å
21	L	95.9	Very high	81.3	Confident	9 Å²	9	47 Å²	47	5%	0.047	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	172.5	-170.5	-63.6	-179.9	0	0	0	109.8	N87 V88 L90 I130 F146 C148 I156	L21-N87 CarbonylContact O-C 3.54Å; L21-N87 WeakPolarHBondContact O-CA 3.49Å; L21-V88 HydrophobicContact CB-CG2 4.21Å; L21-V88 PolarHBondContact N-O 3.23Å; L21-V88 PolarHBondContact O-N 2.85Å; L21-L90 HydrophobicContact CD1-CB 3.79Å; L21-L90 HydrophobicContact CD1-CD2 3.78Å; L21-L90 HydrophobicContact CD1-CG 4.45Å; L21-I130 HydrophobicContact CD1-CD1 4.04Å; L21-F146 HydrophobicContact CB-CB 4.44Å; L21-F146 HydrophobicContact CB-CD1 4.39Å; L21-F146 HydrophobicContact CD1-CB 4.11Å; L21-F146 HydrophobicContact CD1-CD1 4.27Å; L21-F146 HydrophobicContact CD1-CG 4.3Å; L21-C148 HydrophobicContact CD2-CB 3.74Å; L21-C148 WeakPolarHBondContact CD2-SG 3.29Å; L21-I156 HydrophobicContact CD1-CD1 4.28Å; L21-I156 HydrophobicContact CD2-CD1 3.66Å; L21-I156 HydrophobicContact CG-CD1 4.42Å
22	R	96.1	Very high	83.7	Confident	82 Å²	82	39.9 Å²	39.9	31%	0.309	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.3	167	-168.2	-172.7	-167.9	-171.5	0.4	110	I24 G85 Q86 F146 E147	R22-I24 HydrophobicContact CG-CD1 4.22Å; R22-G85 PolarHBondContact NE-O 3Å; R22-Q86 WeakPolarHBondContact CA-O 3.32Å; R22-Q86 WeakPolarHBondContact CG-O 3.27Å; R22-F146 CarbonylContact O-C 3.51Å; R22-F146 VanDerWaalsContact O-CA 3.27Å; R22-F146 WeakPolarHBondContact O-CA 3.37Å; R22-E147 HydrophobicContact CB-CB 4.2Å; R22-E147 WeakPolarHBondContact CD-OE2 3.11Å; R22-E147 PolarHBondContact N-O 2.9Å; R22-E147 IonicContact NH1-OE2 3.1Å; R22-E147 PolarHBondContact NH1-OE2 3.44Å; R22-E147 PolarHBondContact O-N 3.24Å
23	Y	97.1	Very high	86.2	Confident	4 Å²	4	37 Å²	37	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	125.7	176.3	178.5	-121	0	0	0	109.6	G25 C26 R82 F83 G84 G85 Q86 F109 Y144 V145 F146	Y23-G25 WeakPolarHBondContact CE2-O 3.27Å; Y23-G25 VanDerWaalsContact OH-C 3.29Å; Y23-C26 WeakPolarHBondContact OH-CB 3.32Å; Y23-R82 WeakPolarHBondContact CE1-O 3.25Å; Y23-F83 HydrophobicContact CD1-CB 4.01Å; Y23-F83 HydrophobicContact CE1-CB 4.13Å; Y23-G84 CarbonylContact O-C 3.5Å; Y23-G84 WeakPolarHBondContact O-CA 3.25Å; Y23-G85 PolarHBondContact O-N 3.39Å; Y23-Q86 PolarHBondContact N-O 3.49Å; Y23-F109 HydrophobicContact CD1-CE1 4.37Å; Y23-F109 HydrophobicContact CD2-CZ 4.07Å; Y23-F109 AromaticContact CE1-CE1 3.94Å; Y23-F109 HydrophobicContact CE1-CE1 3.94Å; Y23-F109 HydrophobicContact CE1-CZ 4.27Å; Y23-F109 HydrophobicContact CE2-CE1 4.24Å; Y23-F109 AromaticContact CE2-CZ 3.77Å; Y23-F109 HydrophobicContact CE2-CZ 3.77Å; Y23-F109 HydrophobicContact CG-CZ 4.44Å; Y23-F109 AromaticContact CZ-CE1 3.86Å; Y23-F109 AromaticContact CZ-CZ 3.87Å; Y23-Y144 HydrophobicContact CE2-CD1 4.18Å; Y23-V145 WeakPolarHBondContact CD2-O 3.5Å; Y23-F146 AromaticContact CD2-CD1 3.87Å; Y23-F146 HydrophobicContact CD2-CD1 3.87Å; Y23-F146 AromaticContact CD2-CE1 3.45Å; Y23-F146 HydrophobicContact CD2-CE1 3.45Å; Y23-F146 VanDerWaalsContact CD2-CE1 3.45Å; Y23-F146 HydrophobicContact CD2-CE2 4.25Å; Y23-F146 HydrophobicContact CD2-CG 4.43Å; Y23-F146 AromaticContact CD2-CZ 3.66Å; Y23-F146 HydrophobicContact CD2-CZ 3.66Å; Y23-F146 HydrophobicContact CE2-CE1 4.33Å; Y23-F146 HydrophobicContact CE2-CZ 4.09Å; Y23-F146 HydrophobicContact CG-CD1 4.46Å; Y23-F146 HydrophobicContact CG-CE1 4.11Å
24	I	97	Very high	88.2	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.015	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-41.1	-175.5	-52.1	-58.3	0	0	0	111	R22 V52 A56 M58 G84 F129 V145 E147	R22-I24 HydrophobicContact CG-CD1 4.22Å; I24-V52 HydrophobicContact CB-CG1 4.17Å; I24-V52 HydrophobicContact CG2-CG1 3.75Å; I24-A56 HydrophobicContact CG2-CB 3.5Å; I24-M58 HydrophobicContact CG2-CG 4.49Å; I24-G84 WeakPolarHBondContact O-CA 3.49Å; I24-F129 HydrophobicContact CD1-CE1 4.38Å; I24-F129 HydrophobicContact CG1-CD1 4.35Å; I24-F129 HydrophobicContact CG1-CE1 4.03Å; I24-V145 HydrophobicContact CB-CG1 4.35Å; I24-V145 PolarHBondContact N-O 3.01Å; I24-E147 HydrophobicContact CD1-CB 3.8Å; I24-E147 HydrophobicContact CG1-CB 4.12Å
25	G	96.9	Very high	89.8	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.2	-168.8	-179.4	0	0	0	0	0	111.9	Y23 N80 V145	Y23-G25 WeakPolarHBondContact CE2-O 3.27Å; Y23-G25 VanDerWaalsContact OH-C 3.29Å; G25-N80 VanDerWaalsContact CA-O 3.32Å; G25-N80 WeakPolarHBondContact CA-O 3.43Å; G25-V145 PolarHBondContact O-N 3.32Å
26	C	96.7	Very high	91.1	Very high	6 Å²	6	34.7 Å²	34.7	4%	0.041	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	164	176.3	62.7	0	0	0	0	112.8	Y23 A79 N80 C143 Y144	Y23-C26 WeakPolarHBondContact OH-CB 3.32Å; C26-A79 CarbonylContact O-C 3.54Å; C26-A79 WeakPolarHBondContact O-CA 3.04Å; C26-N80 PolarHBondContact N-O 3.12Å; C26-N80 PolarHBondContact O-N 3.01Å; C26-C143 CarbonylContact C-O 3.44Å; C26-C143 WeakPolarHBondContact CA-O 3.47Å; C26-C143 VanDerWaalsContact CB-O 3.25Å; C26-C143 WeakPolarHBondContact CB-O 3.49Å; C26-Y144 HydrophobicContact CB-CD1 3.85Å; C26-Y144 HydrophobicContact CB-CE1 4.16Å; C26-Y144 HydrophobicContact CB-CG 4.28Å
27	V	96.1	Very high	91.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	145.3	173.7	65.8	0	0	0	0	110.7	C48 K51 V52 I75 Q142 C143	V27-C48 HydrophobicContact CG1-CB 3.67Å; V27-K51 HydrophobicContact CG2-CD 4.24Å; V27-V52 HydrophobicContact CB-CG2 3.91Å; V27-V52 HydrophobicContact CG1-CG2 3.92Å; V27-I75 HydrophobicContact CG2-CG2 3.57Å; V27-Q142 WeakPolarHBondContact O-CA 3.3Å; V27-Q142 PolarHBondContact O-OE1 2.86Å; V27-C143 HydrophobicContact CG1-CB 4.08Å; V27-C143 PolarHBondContact N-O 3.42Å; V27-C143 PolarHBondContact O-N 2.92Å
28	G	95.4	Very high	91.2	Very high	4 Å²	4	41.4 Å²	41.4	4%	0.041	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	147.6	-178.9	0	0	0	0	0	112.9	I75 A76 Q142	G28-I75 CarbonylContact O-C 3.54Å; G28-A76 VanDerWaalsContact CA-O 3.25Å; G28-A76 WeakPolarHBondContact CA-O 3.48Å; G28-A76 PolarHBondContact N-O 3.09Å; G28-A76 PolarHBondContact O-N 2.78Å; G28-Q142 VanDerWaalsContact N-OE1 3.14Å
29	V	95.1	Very high	90.9	Very high	6 Å²	6	43.3 Å²	43.3	4%	0.036	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	113	175.3	-175.9	0	0	0	0	109.3	T31 L44 F74 I133 R141 C143	V29-T31 WeakPolarHBondContact CG1-O 3.33Å; V29-L44 HydrophobicContact CG1-CD2 3.99Å; V29-F74 CarbonylContact C-O 3.55Å; V29-F74 WeakPolarHBondContact CA-O 3.11Å; V29-I133 HydrophobicContact CG2-CD1 4.38Å; V29-I133 HydrophobicContact CG2-CG2 4.45Å; V29-R141 PolarHBondContact N-O 2.73Å; V29-R141 WeakPolarHBondContact O-CB 3.44Å; V29-C143 HydrophobicContact CG2-CB 3.83Å
30	A	91.7	Very high	90.8	Very high	57 Å²	57	43.3 Å²	43.3	47%	0.471	22%	0.224	S	C	.	.			trans	-67.1	-39.6	-175.5	0	0	0	0	0	112.3	F74 A76 R141	A30-F74 PolarHBondContact N-O 3.21Å; A30-A76 HydrophobicContact CB-CB 4.28Å; A30-R141 PolarHBondContact O-NH1 2.98Å
31	T	87	Confident	90.7	Very high	28 Å²	28	42.4 Å²	42.4	17%	0.172	22%	0.215	C	C	.	.	S	Bend	trans	-101.3	148.1	-170.6	-57.4	0	0	0	0	112.2	V29 M33 Q35 L36 F74 R141	V29-T31 WeakPolarHBondContact CG1-O 3.33Å; T31-M33 PolarHBondContact O-N 3.31Å; T31-Q35 HydrophobicContact CG2-CB 4.1Å; T31-L36 HydrophobicContact CG2-CD1 4.48Å; T31-L36 HydrophobicContact CG2-CD2 3.75Å; T31-L36 HydrophobicContact CG2-CG 4.05Å; T31-F74 HydrophobicContact CG2-CD1 4.35Å; T31-F74 HydrophobicContact CG2-CE1 4.38Å; T31-F74 VanDerWaalsContact OG1-CD1 3.23Å; T31-F74 WeakPolarHBondContact OG1-CD1 3.2Å; T31-R141 PolarHBondContact O-NH1 3.27Å
32	S	86.9	Confident	90.4	Very high	19 Å²	19	43.2 Å²	43.2	13%	0.133	22%	0.221	C	C	.	.			trans	-69.1	132.6	175.2	-175.8	0	0	0	0	109.2	K34 Q35 R141	S32-K34 PolarHBondContact O-N 3.09Å; S32-K34 VanDerWaalsContact O-N 3.12Å; S32-K34 PolarHBondContact OG-N 3.2Å; S32-Q35 WeakPolarHBondContact O-CB 3.49Å; S32-Q35 PolarHBondContact O-N 3.15Å; S32-R141 VanDerWaalsContact CA-CZ 3.42Å; S32-R141 VanDerWaalsContact N-NH1 3.14Å
33	M	88	Confident	90.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-54.8	-35	174.2	-67.2	-58.9	-80.7	0	0	110.9	T31 Q35 L36 R41 L44 F118 I133	T31-M33 PolarHBondContact O-N 3.31Å; M33-Q35 PolarHBondContact O-N 3.08Å; M33-L36 PolarHBondContact O-N 2.79Å; M33-L36 VanDerWaalsContact O-N 3.08Å; M33-L36 HydrophobicContact SD-CD1 4.14Å; M33-R41 HydrophobicContact CE-CB 3.43Å; M33-R41 VanDerWaalsContact CE-CB 3.43Å; M33-R41 HydrophobicContact CE-CG 3.6Å; M33-R41 PolarHBondContact O-NE 2.79Å; M33-R41 PolarHBondContact O-NH2 2.79Å; M33-R41 HydrophobicContact SD-CG 4.39Å; M33-L44 HydrophobicContact SD-CD2 3.94Å; M33-F118 HydrophobicContact CB-CB 4.21Å; M33-F118 HydrophobicContact CE-CB 3.56Å; M33-F118 HydrophobicContact CE-CD1 3.27Å; M33-F118 HydrophobicContact CE-CD2 4.14Å; M33-F118 HydrophobicContact CE-CE1 3.89Å; M33-F118 HydrophobicContact CE-CG 3.4Å; M33-F118 HydrophobicContact CG-CB 3.89Å; M33-I133 HydrophobicContact CE-CD1 3.6Å; M33-I133 HydrophobicContact CG-CB 4.32Å; M33-I133 HydrophobicContact CG-CD1 3.75Å; M33-I133 HydrophobicContact CG-CG2 4.12Å; M33-I133 HydrophobicContact SD-CD1 3.4Å; M33-I133 WeakPolarHBondContact SD-CD1 3.38Å
34	K	83.4	Confident	90	Very high	116 Å²	116	42 Å²	42	50%	0.504	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-58.7	-29.9	176.2	-64.1	-174.5	166	-145.8	0	114.5	S32 L36 R41 D284	S32-K34 PolarHBondContact O-N 3.09Å; S32-K34 VanDerWaalsContact O-N 3.12Å; S32-K34 PolarHBondContact OG-N 3.2Å; K34-L36 VanDerWaalsContact C-N 3.31Å; K34-R41 PolarHBondContact O-NH2 2.78Å; K34-R41 VanDerWaalsContact O-NH2 3.08Å; K34-D284 WeakPolarHBondContact CE-OD2 3.49Å; K34-D284 IonicContact NZ-OD1 3.39Å; K34-D284 PolarHBondContact NZ-OD1 3.43Å; K34-D284 VanDerWaalsContact NZ-OD1 3.1Å; K34-D284 IonicContact NZ-OD2 3.45Å; K34-D284 PolarHBondContact NZ-OD2 3.5Å
35	Q	82.1	Confident	89.9	Confident	124 Å²	124	41.9 Å²	41.9	58%	0.579	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-83.5	-7.9	-179.6	-67.6	170.5	-0.6	0	0	113.2	T31 S32 M33	T31-Q35 HydrophobicContact CG2-CB 4.1Å; S32-Q35 WeakPolarHBondContact O-CB 3.49Å; S32-Q35 PolarHBondContact O-N 3.15Å; M33-Q35 PolarHBondContact O-N 3.08Å
36	L	85.6	Confident	89.7	Confident	11 Å²	11	45.3 Å²	45.3	6%	0.058	24%	0.238	C	C	.	.	S	Bend	trans	-101.5	146.5	-179	-56.3	176.2	0	0	0	109.5	T31 M33 K34 I40 R41 L44 F74	T31-L36 HydrophobicContact CG2-CD1 4.48Å; T31-L36 HydrophobicContact CG2-CD2 3.75Å; T31-L36 HydrophobicContact CG2-CG 4.05Å; M33-L36 PolarHBondContact O-N 2.79Å; M33-L36 VanDerWaalsContact O-N 3.08Å; M33-L36 HydrophobicContact SD-CD1 4.14Å; K34-L36 VanDerWaalsContact C-N 3.31Å; L36-I40 HydrophobicContact CB-CB 4.31Å; L36-I40 HydrophobicContact CB-CG2 4.14Å; L36-I40 HydrophobicContact CD1-CG2 4.07Å; L36-I40 HydrophobicContact CD2-CG2 4.1Å; L36-I40 HydrophobicContact CG-CG2 4.32Å; L36-R41 HydrophobicContact CB-CG 3.91Å; L36-R41 VanDerWaalsContact O-CZ 3.27Å; L36-R41 PolarHBondContact O-NE 3.05Å; L36-R41 PolarHBondContact O-NH2 2.92Å; L36-L44 HydrophobicContact CD1-CD2 3.49Å; L36-L44 VanDerWaalsContact CD1-CD2 3.49Å; L36-F74 HydrophobicContact CD2-CD1 4.33Å; L36-F74 HydrophobicContact CD2-CE1 3.84Å; L36-F74 HydrophobicContact CD2-CE2 4.09Å; L36-F74 HydrophobicContact CD2-CZ 3.71Å
37	D	85.1	Confident	89.5	Confident	84 Å²	84	47.3 Å²	47.3	45%	0.449	25%	0.246	S	C	.	.			trans	-67.2	159.8	168.6	68.1	60.7	0	0	0	111.1	T39 I40 R41	D37-T39 VanDerWaalsContact C-N 3.25Å; D37-T39 PolarHBondContact O-N 2.83Å; D37-T39 WeakPolarHBondContact OD1-CA 3.5Å; D37-T39 WeakPolarHBondContact OD1-CB 3.33Å; D37-T39 PolarHBondContact OD1-N 2.81Å; D37-I40 PolarHBondContact O-N 3.3Å; D37-I40 WeakPolarHBondContact OD1-CG1 3.47Å; D37-I40 PolarHBondContact OD1-N 2.97Å; D37-I40 WeakPolarHBondContact OD2-CD1 3.31Å; D37-I40 WeakPolarHBondContact OD2-CG1 3.16Å; D37-R41 WeakPolarHBondContact O-CG 3.36Å; D37-R41 PolarHBondContact O-N 2.92Å
38	F	79.9	Confident	89.4	Confident	148 Å²	148	47.3 Å²	47.3	65%	0.649	25%	0.246	S	C	*	.	H	α-helix	trans	-57.5	-36.8	-175.6	-178.2	-96.2	0	0	0	113.2	R41 S42	F38-R41 WeakPolarHBondContact O-CB 3.48Å; F38-R41 PolarHBondContact O-N 2.76Å; F38-S42 PolarHBondContact O-N 2.88Å; F38-S42 VanDerWaalsContact O-N 3.11Å
39	T	85.8	Confident	89.4	Confident	101 Å²	101	47.1 Å²	47.1	62%	0.62	24%	0.244	S	C	*	.	H	α-helix	trans	-66.7	-45	179.7	-55.8	0	0	0	0	111	D37 S42 T43	D37-T39 VanDerWaalsContact C-N 3.25Å; D37-T39 PolarHBondContact O-N 2.83Å; D37-T39 WeakPolarHBondContact OD1-CA 3.5Å; D37-T39 WeakPolarHBondContact OD1-CB 3.33Å; D37-T39 PolarHBondContact OD1-N 2.81Å; T39-S42 PolarHBondContact O-N 2.89Å; T39-T43 PolarHBondContact O-N 3.47Å; T39-T43 VanDerWaalsContact O-N 3.1Å; T39-T43 PolarHBondContact O-OG1 2.91Å
40	I	90.8	Very high	89.3	Confident	25 Å²	25	47.7 Å²	47.7	13%	0.128	25%	0.249	C	C	.	.	H	α-helix	trans	-65.2	-40.8	175.6	-64.6	176.5	0	0	0	109.9	L36 D37 S42 T43 L44 L71 F74	L36-I40 HydrophobicContact CB-CB 4.31Å; L36-I40 HydrophobicContact CB-CG2 4.14Å; L36-I40 HydrophobicContact CD1-CG2 4.07Å; L36-I40 HydrophobicContact CD2-CG2 4.1Å; L36-I40 HydrophobicContact CG-CG2 4.32Å; D37-I40 PolarHBondContact O-N 3.3Å; D37-I40 WeakPolarHBondContact OD1-CG1 3.47Å; D37-I40 PolarHBondContact OD1-N 2.97Å; D37-I40 WeakPolarHBondContact OD2-CD1 3.31Å; D37-I40 WeakPolarHBondContact OD2-CG1 3.16Å; I40-S42 PolarHBondContact O-N 2.92Å; I40-T43 PolarHBondContact O-N 2.85Å; I40-L44 WeakPolarHBondContact O-CB 3.37Å; I40-L44 PolarHBondContact O-N 3.41Å; I40-L71 HydrophobicContact CG2-CD2 4.18Å; I40-F74 HydrophobicContact CG2-CD2 4.25Å; I40-F74 HydrophobicContact CG2-CE2 3.87Å
41	R	91.2	Very high	89.3	Confident	64 Å²	64	48.1 Å²	48.1	24%	0.242	24%	0.24	C	C	.	.	H	α-helix	trans	-56.3	-49.6	177.8	-71.2	178.1	-159.7	-174	-1.5	112.1	M33 K34 L36 D37 F38 A45 F118	M33-R41 HydrophobicContact CE-CB 3.43Å; M33-R41 VanDerWaalsContact CE-CB 3.43Å; M33-R41 HydrophobicContact CE-CG 3.6Å; M33-R41 PolarHBondContact O-NE 2.79Å; M33-R41 PolarHBondContact O-NH2 2.79Å; M33-R41 HydrophobicContact SD-CG 4.39Å; K34-R41 PolarHBondContact O-NH2 2.78Å; K34-R41 VanDerWaalsContact O-NH2 3.08Å; L36-R41 HydrophobicContact CB-CG 3.91Å; L36-R41 VanDerWaalsContact O-CZ 3.27Å; L36-R41 PolarHBondContact O-NE 3.05Å; L36-R41 PolarHBondContact O-NH2 2.92Å; D37-R41 WeakPolarHBondContact O-CG 3.36Å; D37-R41 PolarHBondContact O-N 2.92Å; F38-R41 WeakPolarHBondContact O-CB 3.48Å; F38-R41 PolarHBondContact O-N 2.76Å; R41-A45 PolarHBondContact O-N 2.8Å; R41-A45 VanDerWaalsContact O-N 3.07Å; R41-F118 HydrophobicContact CB-CD2 4.28Å; R41-F118 HydrophobicContact CB-CE1 4.08Å; R41-F118 HydrophobicContact CB-CE2 3.87Å; R41-F118 HydrophobicContact CB-CZ 3.75Å; R41-F118 WeakPolarHBondContact O-CE1 3.38Å
42	S	89.9	Confident	89.7	Confident	25 Å²	25	46.8 Å²	46.8	18%	0.175	23%	0.232	C	C	.	.	H	α-helix	trans	-64	-42.3	179.2	-173.5	0	0	0	0	111.6	F38 T39 I40 A45 K46	F38-S42 PolarHBondContact O-N 2.88Å; F38-S42 VanDerWaalsContact O-N 3.11Å; T39-S42 PolarHBondContact O-N 2.89Å; I40-S42 PolarHBondContact O-N 2.92Å; S42-A45 PolarHBondContact O-N 3.02Å; S42-K46 WeakPolarHBondContact O-CG 3.17Å; S42-K46 PolarHBondContact O-N 3.24Å; S42-K46 PolarHBondContact OG-NZ 3.39Å
43	T	92.1	Very high	90	Very high	61 Å²	61	45.9 Å²	45.9	37%	0.374	23%	0.225	S	C	.	.	H	α-helix	trans	-69.5	-39.6	-178.5	-45.7	0	0	0	0	111.7	T39 I40 K46 E47 L71	T39-T43 PolarHBondContact O-N 3.47Å; T39-T43 VanDerWaalsContact O-N 3.1Å; T39-T43 PolarHBondContact O-OG1 2.91Å; I40-T43 PolarHBondContact O-N 2.85Å; T43-K46 PolarHBondContact O-N 2.77Å; T43-E47 PolarHBondContact O-N 3.14Å; T43-L71 HydrophobicContact CG2-CD1 3.48Å; T43-L71 VanDerWaalsContact CG2-CD1 3.48Å
44	L	93.5	Very high	90.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.5	-45.3	175.9	178.4	59.3	0	0	0	111.7	V29 M33 L36 I40 K46 E47 C48 L71 F74 I75	V29-L44 HydrophobicContact CG1-CD2 3.99Å; M33-L44 HydrophobicContact SD-CD2 3.94Å; L36-L44 HydrophobicContact CD1-CD2 3.49Å; L36-L44 VanDerWaalsContact CD1-CD2 3.49Å; I40-L44 WeakPolarHBondContact O-CB 3.37Å; I40-L44 PolarHBondContact O-N 3.41Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 3.2Å; L44-E47 PolarHBondContact O-N 2.95Å; L44-C48 PolarHBondContact O-N 3.49Å; L44-C48 PolarHBondContact O-SG 3.5Å; L44-L71 HydrophobicContact CB-CD2 4.3Å; L44-F74 HydrophobicContact CD1-CB 3.71Å; L44-F74 HydrophobicContact CD2-CB 3.92Å; L44-F74 HydrophobicContact CG-CB 4.48Å; L44-I75 HydrophobicContact CD1-CD1 4.19Å; L44-I75 HydrophobicContact CD1-CG1 3.65Å
45	A	93.9	Very high	90.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-42.1	177.1	0	0	0	0	0	111.8	R41 S42 C48 I49 F118	R41-A45 PolarHBondContact O-N 2.8Å; R41-A45 VanDerWaalsContact O-N 3.07Å; S42-A45 PolarHBondContact O-N 3.02Å; A45-C48 WeakPolarHBondContact O-CB 3.48Å; A45-C48 PolarHBondContact O-N 2.84Å; A45-I49 WeakPolarHBondContact O-CG1 3.47Å; A45-I49 PolarHBondContact O-N 3.18Å; A45-F118 HydrophobicContact CB-CD1 4.17Å; A45-F118 HydrophobicContact CB-CE1 3.98Å
46	K	92.7	Very high	91.3	Very high	71 Å²	71	39.9 Å²	39.9	31%	0.309	21%	0.212	S	C	.	.	H	α-helix	trans	-64.1	-40.1	175.8	-69.8	167.8	-178.2	173.4	0	112.5	S42 T43 L44 C48 I49 S50 D123	S42-K46 WeakPolarHBondContact O-CG 3.17Å; S42-K46 PolarHBondContact O-N 3.24Å; S42-K46 PolarHBondContact OG-NZ 3.39Å; T43-K46 PolarHBondContact O-N 2.77Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 3.2Å; K46-C48 VanDerWaalsContact C-N 3.34Å; K46-I49 PolarHBondContact O-N 3.46Å; K46-S50 PolarHBondContact O-N 2.91Å; K46-D123 HydrophobicContact CD-CB 4.3Å
47	E	92.5	Very high	91.5	Very high	48 Å²	48	46.3 Å²	46.3	22%	0.224	25%	0.246	C	C	.	.	H	α-helix	trans	-64.2	-40	174.7	-170.1	69.1	-166	0	0	111.4	T43 L44 S50 K51 G67 L71 I75	T43-E47 PolarHBondContact O-N 3.14Å; L44-E47 PolarHBondContact O-N 2.95Å; E47-S50 PolarHBondContact O-N 2.94Å; E47-K51 WeakPolarHBondContact O-CB 3.42Å; E47-K51 PolarHBondContact O-N 3.19Å; E47-G67 WeakPolarHBondContact OE1-CA 3.5Å; E47-L71 HydrophobicContact CB-CD1 4.25Å; E47-L71 HydrophobicContact CG-CB 4.41Å; E47-L71 HydrophobicContact CG-CD1 4.49Å; E47-I75 HydrophobicContact CB-CD1 4.02Å; E47-I75 HydrophobicContact CG-CD1 3.49Å; E47-I75 VanDerWaalsContact CG-CD1 3.49Å
48	C	94.7	Very high	91.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.5	-45.1	173.3	-68.2	0	0	0	0	112.2	V27 L44 A45 K46 K51 V52 C143	V27-C48 HydrophobicContact CG1-CB 3.67Å; L44-C48 PolarHBondContact O-N 3.49Å; L44-C48 PolarHBondContact O-SG 3.5Å; A45-C48 WeakPolarHBondContact O-CB 3.48Å; A45-C48 PolarHBondContact O-N 2.84Å; K46-C48 VanDerWaalsContact C-N 3.34Å; C48-K51 PolarHBondContact O-N 3.23Å; C48-V52 WeakPolarHBondContact O-CG2 3.43Å; C48-V52 PolarHBondContact O-N 2.99Å; C48-C143 HydrophobicContact CB-CB 3.84Å; C48-C143 WeakPolarHBondContact CB-SG 3.5Å
49	I	95.1	Very high	91.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.3	-53.6	175.4	-68.6	166.8	0	0	0	109.7	A45 K46 K51 V52 C53 T126 F129 A131 V145	A45-I49 WeakPolarHBondContact O-CG1 3.47Å; A45-I49 PolarHBondContact O-N 3.18Å; K46-I49 PolarHBondContact O-N 3.46Å; I49-K51 VanDerWaalsContact C-N 3.34Å; I49-K51 PolarHBondContact O-N 3.18Å; I49-V52 PolarHBondContact O-N 2.87Å; I49-C53 WeakPolarHBondContact O-CB 3.32Å; I49-C53 PolarHBondContact O-N 3.24Å; I49-C53 PolarHBondContact O-SG 2.92Å; I49-T126 HydrophobicContact CG2-CG2 4.12Å; I49-F129 HydrophobicContact CG2-CB 3.65Å; I49-F129 HydrophobicContact CG2-CG 4.09Å; I49-A131 HydrophobicContact CD1-CB 3.87Å; I49-A131 HydrophobicContact CG1-CB 3.65Å; I49-V145 HydrophobicContact CB-CG1 4.46Å; I49-V145 HydrophobicContact CG1-CG1 4.19Å; I49-V145 HydrophobicContact CG1-CG2 4.22Å; I49-V145 HydrophobicContact CG2-CG1 4.26Å
50	S	92.6	Very high	91	Very high	18 Å²	18	38.6 Å²	38.6	13%	0.126	21%	0.211	C	C	.	.	H	α-helix	trans	-54.1	-48.8	178.5	-178.2	0	0	0	0	111.8	K46 E47 V52 C53 I54	K46-S50 PolarHBondContact O-N 2.91Å; E47-S50 PolarHBondContact O-N 2.94Å; S50-V52 PolarHBondContact O-N 2.72Å; S50-C53 PolarHBondContact O-N 3.03Å; S50-I54 WeakPolarHBondContact O-CB 3.45Å; S50-I54 WeakPolarHBondContact O-CD1 3.42Å; S50-I54 WeakPolarHBondContact O-CG1 3.26Å; S50-I54 PolarHBondContact O-N 3.12Å
51	K	92.8	Very high	90	Very high	66 Å²	66	40.3 Å²	40.3	29%	0.287	23%	0.229	S	C	.	.	H	α-helix	trans	-61.2	-44.4	-179.4	-173	169.1	-177.2	176.5	0	112.9	V27 E47 C48 I49 A55 I75 G77	V27-K51 HydrophobicContact CG2-CD 4.24Å; E47-K51 WeakPolarHBondContact O-CB 3.42Å; E47-K51 PolarHBondContact O-N 3.19Å; C48-K51 PolarHBondContact O-N 3.23Å; I49-K51 VanDerWaalsContact C-N 3.34Å; I49-K51 PolarHBondContact O-N 3.18Å; K51-A55 WeakPolarHBondContact O-CB 3.26Å; K51-A55 PolarHBondContact O-N 2.81Å; K51-A55 VanDerWaalsContact O-N 3.14Å; K51-I75 HydrophobicContact CD-CG2 3.95Å; K51-G77 PolarHBondContact NZ-O 2.96Å
52	V	95.1	Very high	88.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68.7	-42.4	178.4	173.2	0	0	0	0	110.9	I24 V27 C48 I49 S50 I54 A55 A56 A79 L81 V145	I24-V52 HydrophobicContact CB-CG1 4.17Å; I24-V52 HydrophobicContact CG2-CG1 3.75Å; V27-V52 HydrophobicContact CB-CG2 3.91Å; V27-V52 HydrophobicContact CG1-CG2 3.92Å; C48-V52 WeakPolarHBondContact O-CG2 3.43Å; C48-V52 PolarHBondContact O-N 2.99Å; I49-V52 PolarHBondContact O-N 2.87Å; S50-V52 PolarHBondContact O-N 2.72Å; V52-I54 PolarHBondContact O-N 2.91Å; V52-A55 PolarHBondContact O-N 3.12Å; V52-A56 WeakPolarHBondContact O-CB 3.35Å; V52-A56 PolarHBondContact O-N 3.01Å; V52-A79 HydrophobicContact CG2-CB 4.04Å; V52-L81 HydrophobicContact CG1-CD2 4.3Å; V52-V145 HydrophobicContact CB-CB 4.24Å; V52-V145 HydrophobicContact CB-CG2 3.92Å; V52-V145 HydrophobicContact CG1-CB 3.96Å; V52-V145 HydrophobicContact CG1-CG1 4.41Å; V52-V145 HydrophobicContact CG1-CG2 4.15Å; V52-V145 HydrophobicContact CG2-CG2 3.89Å
53	C	93.8	Very high	87.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.3	-36.7	179.1	-67.7	0	0	0	0	113	I49 S50 A56 N57 M58 I59 F129	I49-C53 WeakPolarHBondContact O-CB 3.32Å; I49-C53 PolarHBondContact O-N 3.24Å; I49-C53 PolarHBondContact O-SG 2.92Å; S50-C53 PolarHBondContact O-N 3.03Å; C53-A56 PolarHBondContact O-N 2.84Å; C53-N57 PolarHBondContact O-N 2.95Å; C53-M58 HydrophobicContact CB-CB 4.21Å; C53-M58 PolarHBondContact O-N 3.22Å; C53-I59 HydrophobicContact CB-CB 4.39Å; C53-I59 HydrophobicContact CB-CD1 3.42Å; C53-I59 VanDerWaalsContact CB-CD1 3.42Å; C53-I59 HydrophobicContact CB-CG1 3.82Å; C53-I59 PolarHBondContact O-N 3.36Å; C53-F129 WeakPolarHBondContact SG-CD1 3.43Å; C53-F129 WeakPolarHBondContact SG-CE1 3.23Å
54	I	92.5	Very high	85.6	Confident	50 Å²	50	50.5 Å²	50.5	26%	0.256	28%	0.279	S	S	.	.	H	α-helix	trans	-64	-47.1	172.4	-67.1	160.9	0	0	0	110.1	S50 V52 A56 N57 A61 A64	S50-I54 WeakPolarHBondContact O-CB 3.45Å; S50-I54 WeakPolarHBondContact O-CD1 3.42Å; S50-I54 WeakPolarHBondContact O-CG1 3.26Å; S50-I54 PolarHBondContact O-N 3.12Å; V52-I54 PolarHBondContact O-N 2.91Å; I54-A56 VanDerWaalsContact C-N 3.25Å; I54-A56 PolarHBondContact O-N 2.85Å; I54-N57 PolarHBondContact O-N 2.95Å; I54-A61 HydrophobicContact CG2-CB 4.04Å; I54-A64 HydrophobicContact CD1-CB 3.41Å; I54-A64 VanDerWaalsContact CD1-CB 3.41Å; I54-A64 HydrophobicContact CG1-CB 4.21Å
55	A	93.8	Very high	84.1	Confident	43 Å²	43	59 Å²	59	36%	0.355	32%	0.316	S	S	.	.	H	α-helix	trans	-61.7	-35.3	178.8	0	0	0	0	0	112.3	K51 V52 N57 A79 L81	K51-A55 WeakPolarHBondContact O-CB 3.26Å; K51-A55 PolarHBondContact O-N 2.81Å; K51-A55 VanDerWaalsContact O-N 3.14Å; V52-A55 PolarHBondContact O-N 3.12Å; A55-N57 VanDerWaalsContact C-N 3.26Å; A55-N57 PolarHBondContact O-N 2.73Å; A55-A79 HydrophobicContact CB-CB 3.59Å; A55-L81 HydrophobicContact CB-CD1 4.21Å; A55-L81 HydrophobicContact CB-CD2 4.25Å; A55-L81 WeakPolarHBondContact O-CD1 3.39Å
56	A	93.4	Very high	82.6	Confident	22 Å²	22	70.7 Å²	70.7	18%	0.182	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	3.8	176.1	0	0	0	0	0	114.2	I24 V52 C53 I54 M58 L81	I24-A56 HydrophobicContact CG2-CB 3.5Å; V52-A56 WeakPolarHBondContact O-CB 3.35Å; V52-A56 PolarHBondContact O-N 3.01Å; C53-A56 PolarHBondContact O-N 2.84Å; I54-A56 VanDerWaalsContact C-N 3.25Å; I54-A56 PolarHBondContact O-N 2.85Å; A56-M58 HydrophobicContact CB-CG 3.99Å; A56-M58 WeakPolarHBondContact O-CE 3.26Å; A56-M58 PolarHBondContact O-N 2.85Å; A56-L81 HydrophobicContact CB-CD1 4.48Å; A56-L81 HydrophobicContact CB-CD2 4.23Å
57	N	91.1	Very high	81.2	Confident	145 Å²	145	69 Å²	69	78%	0.775	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	25.2	-174.8	-58	-65.4	0	0	0	114.6	C53 I54 A55	C53-N57 PolarHBondContact O-N 2.95Å; I54-N57 PolarHBondContact O-N 2.95Å; A55-N57 VanDerWaalsContact C-N 3.26Å; A55-N57 PolarHBondContact O-N 2.73Å
58	M	85.9	Confident	80.3	Confident	78 Å²	78	71 Å²	71	38%	0.384	38%	0.375	S	S	.	.	S	Bend	trans	-82	-26.1	175.5	-62.4	-63.9	100.5	0	0	111.7	I24 C53 A56 F129	I24-M58 HydrophobicContact CG2-CG 4.49Å; C53-M58 HydrophobicContact CB-CB 4.21Å; C53-M58 PolarHBondContact O-N 3.22Å; A56-M58 HydrophobicContact CB-CG 3.99Å; A56-M58 WeakPolarHBondContact O-CE 3.26Å; A56-M58 PolarHBondContact O-N 2.85Å; M58-F129 HydrophobicContact CB-CZ 4.43Å
59	I	82.9	Confident	79.4	Confident	27 Å²	27	80.1 Å²	80.1	14%	0.138	41%	0.414	C	S	.	.	S	Bend	trans	-133.1	137.1	179.6	-56.2	170.3	0	0	0	108.9	C53 A61 T126	C53-I59 HydrophobicContact CB-CB 4.39Å; C53-I59 HydrophobicContact CB-CD1 3.42Å; C53-I59 VanDerWaalsContact CB-CD1 3.42Å; C53-I59 HydrophobicContact CB-CG1 3.82Å; C53-I59 PolarHBondContact O-N 3.36Å; I59-A61 PolarHBondContact O-N 3.04Å; I59-T126 HydrophobicContact CD1-CG2 3.18Å
60	S	71.5	Confident	78.7	Confident	66 Å²	66	85.9 Å²	85.9	46%	0.462	44%	0.439	S	S	.	.			trans	-67.3	129.8	173.6	-176.5	0	0	0	0	110.7	N62 K63 A64	S60-N62 PolarHBondContact O-N 2.83Å; S60-N62 PolarHBondContact OG-N 2.96Å; S60-K63 PolarHBondContact O-N 3.2Å; S60-A64 PolarHBondContact O-N 3.1Å
61	A	70	Confident	78.4	Confident	62 Å²	62	85.4 Å²	85.4	51%	0.512	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-27.2	173	0	0	0	0	0	113	I54 I59 K63 A64	I54-A61 HydrophobicContact CG2-CB 4.04Å; I59-A61 PolarHBondContact O-N 3.04Å; A61-K63 VanDerWaalsContact C-N 3.33Å; A61-K63 PolarHBondContact O-N 2.93Å; A61-A64 PolarHBondContact O-N 3.11Å
62	N	61	Low	77.8	Confident	158 Å²	158	86 Å²	86	85%	0.845	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-23.7	178.1	-69.9	-21.6	0	0	0	113.6	S60	S60-N62 PolarHBondContact O-N 2.83Å; S60-N62 PolarHBondContact OG-N 2.96Å
63	K	59.9	Low	77.5	Confident	178 Å²	178	89.8 Å²	89.8	77%	0.774	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-17.3	175	-80	-172.9	177.9	179.6	0	112.7	S60 A61 K65	S60-K63 PolarHBondContact O-N 3.2Å; A61-K63 VanDerWaalsContact C-N 3.33Å; A61-K63 PolarHBondContact O-N 2.93Å; K63-K65 PolarHBondContact O-N 2.63Å
64	A	59.7	Low	77.4	Confident	27 Å²	27	91.2 Å²	91.2	22%	0.223	48%	0.48	C	S	.	.	S	Bend	trans	-67.1	123.4	179.3	0	0	0	0	0	109.9	I54 S60 A61 R66	I54-A64 HydrophobicContact CD1-CB 3.41Å; I54-A64 VanDerWaalsContact CD1-CB 3.41Å; I54-A64 HydrophobicContact CG1-CB 4.21Å; S60-A64 PolarHBondContact O-N 3.1Å; A61-A64 PolarHBondContact O-N 3.11Å; A64-R66 PolarHBondContact O-N 2.71Å
65	K	61.9	Low	77.3	Confident	180 Å²	180	89.7 Å²	89.7	78%	0.783	47%	0.473	S	S	*	.			trans	-54.5	132.5	174.3	-172.1	177.1	-179.7	-179.1	0	108.4	K63 G67	K63-K65 PolarHBondContact O-N 2.63Å; K65-G67 PolarHBondContact O-N 3.29Å
66	R	62.4	Low	77	Confident	246 Å²	246	89.8 Å²	89.8	93%	0.928	47%	0.474	S	S	*	.			trans	-53.4	109.9	176.7	-155.9	176.6	-159.4	166.1	5.3	108.2	A64	A64-R66 PolarHBondContact O-N 2.71Å
67	G	63.4	Low	76.6	Confident	34 Å²	34	91.2 Å²	91.2	35%	0.351	49%	0.49	S	S	.	.			trans	-54.9	143.9	-173.9	0	0	0	0	0	111.8	E47 K65 K69	E47-G67 WeakPolarHBondContact OE1-CA 3.5Å; K65-G67 PolarHBondContact O-N 3.29Å; G67-K69 PolarHBondContact O-N 3.26Å
68	D	71.8	Confident	76.5	Confident	91 Å²	91	90.9 Å²	90.9	49%	0.487	49%	0.489	S	S	.	.			trans	-69	125.3	175.8	-173.3	-12.1	0	0	0	109.1	K70 L71 S72	D68-K70 PolarHBondContact O-N 2.77Å; D68-K70 PolarHBondContact OD1-N 3.47Å; D68-L71 HydrophobicContact CB-CB 4.48Å; D68-L71 HydrophobicContact CB-CD1 3.83Å; D68-L71 HydrophobicContact CB-CG 3.97Å; D68-L71 WeakPolarHBondContact O-CB 3.46Å; D68-L71 PolarHBondContact O-N 2.87Å; D68-S72 PolarHBondContact O-N 3.4Å
69	K	76.5	Confident	76.9	Confident	191 Å²	191	88.3 Å²	88.3	83%	0.83	48%	0.479	S	S	*	.	H	α-helix	trans	-55.8	-25.7	178.7	-67.8	-176.6	179.9	-179.5	0	112.3	G67 L71 S72	G67-K69 PolarHBondContact O-N 3.26Å; K69-L71 VanDerWaalsContact C-N 3.35Å; K69-S72 PolarHBondContact O-OG 3.22Å
70	K	81.6	Confident	77.5	Confident	122 Å²	122	90.1 Å²	90.1	53%	0.53	49%	0.49	S	S	.	.	H	α-helix	trans	-70.2	-31.9	175.2	-169.1	178.3	178.5	-175.1	0	112.3	D68 S73 F74	D68-K70 PolarHBondContact O-N 2.77Å; D68-K70 PolarHBondContact OD1-N 3.47Å; K70-S73 PolarHBondContact O-OG 2.91Å; K70-F74 HydrophobicContact CG-CE2 4.46Å
71	L	84.9	Confident	78.5	Confident	7 Å²	7	90.2 Å²	90.2	4%	0.037	49%	0.485	C	S	.	.	H	α-helix	trans	-80.6	-28.7	-178.7	-61.5	172.4	0	0	0	112.2	I40 T43 L44 E47 D68 K69 S73 F74 I75	I40-L71 HydrophobicContact CG2-CD2 4.18Å; T43-L71 HydrophobicContact CG2-CD1 3.48Å; T43-L71 VanDerWaalsContact CG2-CD1 3.48Å; L44-L71 HydrophobicContact CB-CD2 4.3Å; E47-L71 HydrophobicContact CB-CD1 4.25Å; E47-L71 HydrophobicContact CG-CB 4.41Å; E47-L71 HydrophobicContact CG-CD1 4.49Å; D68-L71 HydrophobicContact CB-CB 4.48Å; D68-L71 HydrophobicContact CB-CD1 3.83Å; D68-L71 HydrophobicContact CB-CG 3.97Å; D68-L71 WeakPolarHBondContact O-CB 3.46Å; D68-L71 PolarHBondContact O-N 2.87Å; K69-L71 VanDerWaalsContact C-N 3.35Å; L71-S73 PolarHBondContact O-N 3.34Å; L71-F74 HydrophobicContact CD2-CD2 4.21Å; L71-F74 WeakPolarHBondContact O-CB 3.38Å; L71-F74 PolarHBondContact O-N 3.43Å; L71-I75 PolarHBondContact O-N 3.41Å
72	S	81.5	Confident	79.5	Confident	78 Å²	78	94.7 Å²	94.7	55%	0.545	49%	0.488	S	S	.	.	H	α-helix	trans	-61.8	-24.9	178.4	54.1	0	0	0	0	113.4	D68 K69 F74	D68-S72 PolarHBondContact O-N 3.4Å; K69-S72 PolarHBondContact O-OG 3.22Å; S72-F74 VanDerWaalsContact C-N 3.3Å
73	S	87.9	Confident	80.8	Confident	80 Å²	80	90.1 Å²	90.1	56%	0.559	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-19.8	174.4	63.6	0	0	0	0	113.3	K70 L71	K70-S73 PolarHBondContact O-OG 2.91Å; L71-S73 PolarHBondContact O-N 3.34Å
74	F	91.6	Very high	82.3	Confident	30 Å²	30	83.1 Å²	83.1	13%	0.132	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-17.7	178.4	-59.5	-45.3	0	0	0	113.2	V29 A30 T31 L36 I40 L44 K70 L71 S72	V29-F74 CarbonylContact C-O 3.55Å; V29-F74 WeakPolarHBondContact CA-O 3.11Å; A30-F74 PolarHBondContact N-O 3.21Å; T31-F74 HydrophobicContact CG2-CD1 4.35Å; T31-F74 HydrophobicContact CG2-CE1 4.38Å; T31-F74 VanDerWaalsContact OG1-CD1 3.23Å; T31-F74 WeakPolarHBondContact OG1-CD1 3.2Å; L36-F74 HydrophobicContact CD2-CD1 4.33Å; L36-F74 HydrophobicContact CD2-CE1 3.84Å; L36-F74 HydrophobicContact CD2-CE2 4.09Å; L36-F74 HydrophobicContact CD2-CZ 3.71Å; I40-F74 HydrophobicContact CG2-CD2 4.25Å; I40-F74 HydrophobicContact CG2-CE2 3.87Å; L44-F74 HydrophobicContact CD1-CB 3.71Å; L44-F74 HydrophobicContact CD2-CB 3.92Å; L44-F74 HydrophobicContact CG-CB 4.48Å; K70-F74 HydrophobicContact CG-CE2 4.46Å; L71-F74 HydrophobicContact CD2-CD2 4.21Å; L71-F74 WeakPolarHBondContact O-CB 3.38Å; L71-F74 PolarHBondContact O-N 3.43Å; S72-F74 VanDerWaalsContact C-N 3.3Å
75	I	91.2	Very high	83.8	Confident	18 Å²	18	83.3 Å²	83.3	9%	0.092	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	118.9	178.6	-60.1	178.8	0	0	0	109	V27 G28 L44 E47 K51 L71	V27-I75 HydrophobicContact CG2-CG2 3.57Å; G28-I75 CarbonylContact O-C 3.54Å; L44-I75 HydrophobicContact CD1-CD1 4.19Å; L44-I75 HydrophobicContact CD1-CG1 3.65Å; E47-I75 HydrophobicContact CB-CD1 4.02Å; E47-I75 HydrophobicContact CG-CD1 3.49Å; E47-I75 VanDerWaalsContact CG-CD1 3.49Å; K51-I75 HydrophobicContact CD-CG2 3.95Å; L71-I75 PolarHBondContact O-N 3.41Å
76	A	85.9	Confident	85.3	Confident	46 Å²	46	77 Å²	77	38%	0.38	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	112.4	-178.8	0	0	0	0	0	110.7	G28 A30	G28-A76 VanDerWaalsContact CA-O 3.25Å; G28-A76 WeakPolarHBondContact CA-O 3.48Å; G28-A76 PolarHBondContact N-O 3.09Å; G28-A76 PolarHBondContact O-N 2.78Å; A30-A76 HydrophobicContact CB-CB 4.28Å
77	G	85.1	Confident	86.9	Confident	51 Å²	51	69 Å²	69	53%	0.526	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	76.9	-167.8	172	0	0	0	0	0	114.8	K51	K51-G77 PolarHBondContact NZ-O 2.96Å
78	D	90.5	Very high	88.5	Confident	139 Å²	139	67.3 Å²	67.3	74%	0.743	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	162.8	-179.9	-65.3	-47.4	0	0	0	112.2	N80	D78-N80 PolarHBondContact O-N 3Å
79	A	93.8	Very high	89.6	Confident	23 Å²	23	67.1 Å²	67.1	19%	0.19	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	130.6	176.1	0	0	0	0	0	110.1	C26 V52 A55 L81	C26-A79 CarbonylContact O-C 3.54Å; C26-A79 WeakPolarHBondContact O-CA 3.04Å; V52-A79 HydrophobicContact CG2-CB 4.04Å; A55-A79 HydrophobicContact CB-CB 3.59Å; A79-L81 HydrophobicContact CB-CD2 4.28Å
80	N	94.4	Very high	90.5	Very high	66 Å²	66	58 Å²	58	35%	0.353	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	113.5	171.9	-177.3	-9.7	0	0	0	109.1	G25 C26 D78 R82	G25-N80 VanDerWaalsContact CA-O 3.32Å; G25-N80 WeakPolarHBondContact CA-O 3.43Å; C26-N80 PolarHBondContact N-O 3.12Å; C26-N80 PolarHBondContact O-N 3.01Å; D78-N80 PolarHBondContact O-N 3Å; N80-R82 WeakPolarHBondContact OD1-CB 3.38Å; N80-R82 PolarHBondContact OD1-N 2.85Å
81	L	94.5	Very high	91.1	Very high	68 Å²	68	53.8 Å²	53.8	36%	0.356	31%	0.31	S	S	.	.			trans	-98.7	19.2	-178.9	-51.7	-178.6	0	0	0	112.2	V52 A55 A56 A79 F83 G84	V52-L81 HydrophobicContact CG1-CD2 4.3Å; A55-L81 HydrophobicContact CB-CD1 4.21Å; A55-L81 HydrophobicContact CB-CD2 4.25Å; A55-L81 WeakPolarHBondContact O-CD1 3.39Å; A56-L81 HydrophobicContact CB-CD1 4.48Å; A56-L81 HydrophobicContact CB-CD2 4.23Å; A79-L81 HydrophobicContact CB-CD2 4.28Å; L81-F83 PolarHBondContact O-N 3Å; L81-G84 WeakPolarHBondContact O-CA 3.5Å; L81-G84 PolarHBondContact O-N 3.17Å
82	R	89.8	Confident	91.5	Very high	156 Å²	156	53.4 Å²	53.4	59%	0.589	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	122.8	173.7	-174.5	-178.8	177.8	-175.5	0.1	108.9	Y23 N80 G84	Y23-R82 WeakPolarHBondContact CE1-O 3.25Å; N80-R82 WeakPolarHBondContact OD1-CB 3.38Å; N80-R82 PolarHBondContact OD1-N 2.85Å; R82-G84 PolarHBondContact O-N 2.71Å
83	F	89.2	Confident	91.8	Very high	62 Å²	62	50.5 Å²	50.5	27%	0.272	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	4.9	-170.2	-41.8	-62.7	0	0	0	115.5	Y23 L81 Q86 L108	Y23-F83 HydrophobicContact CD1-CB 4.01Å; Y23-F83 HydrophobicContact CE1-CB 4.13Å; L81-F83 PolarHBondContact O-N 3Å; F83-Q86 WeakPolarHBondContact O-CB 3.27Å; F83-Q86 WeakPolarHBondContact O-CG 3.36Å; F83-Q86 PolarHBondContact O-N 2.79Å; F83-L108 HydrophobicContact CB-CD1 4.03Å; F83-L108 HydrophobicContact CD1-CD2 4.12Å; F83-L108 HydrophobicContact CD2-CD2 4.5Å; F83-L108 HydrophobicContact CE1-CD2 4.37Å; F83-L108 HydrophobicContact CG-CD1 4.38Å; F83-L108 HydrophobicContact CG-CD2 4.18Å
84	G	91.5	Very high	91.7	Very high	31 Å²	31	49 Å²	49	32%	0.32	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	141.6	176.8	0	0	0	0	0	112.2	Y23 I24 L81 R82 Q86	Y23-G84 CarbonylContact O-C 3.5Å; Y23-G84 WeakPolarHBondContact O-CA 3.25Å; I24-G84 WeakPolarHBondContact O-CA 3.49Å; L81-G84 WeakPolarHBondContact O-CA 3.5Å; L81-G84 PolarHBondContact O-N 3.17Å; R82-G84 PolarHBondContact O-N 2.71Å; G84-Q86 VanDerWaalsContact C-N 3.34Å
85	G	90.3	Very high	91.4	Very high	30 Å²	30	49.6 Å²	49.6	31%	0.309	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-8.8	-177.2	0	0	0	0	0	115.1	R22 Y23	R22-G85 PolarHBondContact NE-O 3Å; Y23-G85 PolarHBondContact O-N 3.39Å
86	Q	92.7	Very high	91.4	Very high	48 Å²	48	51.4 Å²	51.4	22%	0.224	29%	0.294	C	S	.	.			trans	-76.2	143.6	179.1	-69.4	-173	46.9	0	0	112.3	R22 Y23 F83 G84 V88 S101	R22-Q86 WeakPolarHBondContact CA-O 3.32Å; R22-Q86 WeakPolarHBondContact CG-O 3.27Å; Y23-Q86 PolarHBondContact N-O 3.49Å; F83-Q86 WeakPolarHBondContact O-CB 3.27Å; F83-Q86 WeakPolarHBondContact O-CG 3.36Å; F83-Q86 PolarHBondContact O-N 2.79Å; G84-Q86 VanDerWaalsContact C-N 3.34Å; Q86-V88 HydrophobicContact CB-CG1 4.39Å; Q86-S101 PolarHBondContact OE1-OG 3.04Å
87	N	96.1	Very high	91.8	Very high	77 Å²	77	49.2 Å²	49.2	41%	0.412	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	128.8	168.7	-59.9	-45.2	0	0	0	109.2	L21 L102	L21-N87 CarbonylContact O-C 3.54Å; L21-N87 WeakPolarHBondContact O-CA 3.49Å; N87-L102 HydrophobicContact CB-CB 4.35Å; N87-L102 HydrophobicContact CB-CD1 4.03Å; N87-L102 PolarHBondContact O-N 2.89Å
88	V	96.9	Very high	92.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	154	-172.4	-59.6	0	0	0	0	110.9	D20 L21 Q86 V99 V100 L108 F146	D20-V88 WeakPolarHBondContact CA-O 3.48Å; L21-V88 HydrophobicContact CB-CG2 4.21Å; L21-V88 PolarHBondContact N-O 3.23Å; L21-V88 PolarHBondContact O-N 2.85Å; Q86-V88 HydrophobicContact CB-CG1 4.39Å; V88-V99 HydrophobicContact CB-CG1 3.7Å; V88-V99 HydrophobicContact CG1-CG1 3.93Å; V88-V99 HydrophobicContact CG2-CG1 3.83Å; V88-V100 CarbonylContact C-O 3.49Å; V88-V100 WeakPolarHBondContact CA-O 3.44Å; V88-V100 WeakPolarHBondContact CB-O 3.25Å; V88-L108 HydrophobicContact CG1-CD1 3.64Å; V88-F146 HydrophobicContact CG2-CD1 4.1Å; V88-F146 HydrophobicContact CG2-CE1 4.12Å
89	R	95.4	Very high	92.5	Very high	86 Å²	86	42.9 Å²	42.9	33%	0.325	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	118.5	164.8	-172.1	161.4	-73.1	161.7	3.2	109.3	Y19 D20 F91 V99 V100 L102	Y19-R89 WeakPolarHBondContact O-CA 3.19Å; D20-R89 IonicContact OD1-CZ 3.12Å; D20-R89 IonicContact OD1-NE 2.77Å; D20-R89 PolarHBondContact OD1-NE 2.91Å; D20-R89 IonicContact OD1-NH2 3.04Å; D20-R89 PolarHBondContact OD1-NH2 3.44Å; D20-R89 VanDerWaalsContact OD1-NH2 3.12Å; D20-R89 IonicContact OD2-CZ 3.19Å; D20-R89 IonicContact OD2-NE 3.1Å; D20-R89 IonicContact OD2-NH2 3.53Å; D20-R89 PolarHBondContact OD2-NH2 3.46Å; R89-F91 HydrophobicContact CB-CD2 4.44Å; R89-F91 HydrophobicContact CB-CE2 3.9Å; R89-F91 HydrophobicContact CB-CZ 4.35Å; R89-F91 HydrophobicContact CG-CD2 4.04Å; R89-F91 HydrophobicContact CG-CE1 4.18Å; R89-F91 HydrophobicContact CG-CE2 3.6Å; R89-F91 HydrophobicContact CG-CZ 3.69Å; R89-V99 WeakPolarHBondContact O-CA 3.45Å; R89-V100 PolarHBondContact N-O 3.26Å; R89-V100 PolarHBondContact O-N 2.88Å; R89-L102 HydrophobicContact CB-CD2 3.83Å
90	L	95.8	Very high	92.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	117.4	168.9	173.4	64	0	0	0	108.9	S18 Y19 L21 I92 L97 V99 I156	S18-L90 CarbonylContact C-O 3.52Å; S18-L90 VanDerWaalsContact CA-O 3.29Å; S18-L90 WeakPolarHBondContact CA-O 3.49Å; Y19-L90 PolarHBondContact N-O 2.92Å; Y19-L90 PolarHBondContact O-N 3.42Å; L21-L90 HydrophobicContact CD1-CB 3.79Å; L21-L90 HydrophobicContact CD1-CD2 3.78Å; L21-L90 HydrophobicContact CD1-CG 4.45Å; L90-I92 HydrophobicContact CD2-CD1 4.22Å; L90-I92 HydrophobicContact CD2-CG1 4.22Å; L90-I92 HydrophobicContact CG-CD1 4.49Å; L90-I92 HydrophobicContact CG-CG1 4.01Å; L90-L97 HydrophobicContact CD1-CB 4.23Å; L90-V99 HydrophobicContact CD1-CG2 3.82Å; L90-I156 HydrophobicContact CD2-CG2 4.12Å
91	F	93.6	Very high	92.4	Very high	33 Å²	33	39 Å²	39	15%	0.145	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.9	172	-67	-87.5	0	0	0	110.5	E16 L17 R89 L97 R98 V100	E16-F91 VanDerWaalsContact CD-CB 3.42Å; E16-F91 HydrophobicContact CG-CB 3.76Å; E16-F91 HydrophobicContact CG-CD1 3.92Å; E16-F91 HydrophobicContact CG-CG 4.31Å; E16-F91 VanDerWaalsContact OE1-CB 3.31Å; E16-F91 WeakPolarHBondContact OE1-CB 3.16Å; E16-F91 WeakPolarHBondContact OE2-CD1 3.32Å; L17-F91 CarbonylContact O-C 3.57Å; L17-F91 WeakPolarHBondContact O-CA 3.29Å; R89-F91 HydrophobicContact CB-CD2 4.44Å; R89-F91 HydrophobicContact CB-CE2 3.9Å; R89-F91 HydrophobicContact CB-CZ 4.35Å; R89-F91 HydrophobicContact CG-CD2 4.04Å; R89-F91 HydrophobicContact CG-CE1 4.18Å; R89-F91 HydrophobicContact CG-CE2 3.6Å; R89-F91 HydrophobicContact CG-CZ 3.69Å; F91-L97 VanDerWaalsContact O-CA 3.32Å; F91-L97 WeakPolarHBondContact O-CA 3.43Å; F91-R98 HydrophobicContact CB-CB 4.16Å; F91-R98 VanDerWaalsContact CD1-NH2 3.29Å; F91-R98 HydrophobicContact CD2-CG 4.5Å; F91-R98 VanDerWaalsContact CD2-CZ 3.47Å; F91-R98 VanDerWaalsContact CG-NH2 3.27Å; F91-R98 PolarHBondContact N-O 3.26Å; F91-R98 PolarHBondContact O-N 2.85Å; F91-V100 HydrophobicContact CD2-CG2 4.09Å; F91-V100 HydrophobicContact CE2-CB 4.08Å; F91-V100 HydrophobicContact CE2-CG2 3.73Å
92	I	93.3	Very high	92.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	116.1	-175.6	-53.9	176.1	0	0	0	108.7	L17 Y19 L90 L97 I156 A159 I160 A163	L17-I92 HydrophobicContact CB-CB 4.37Å; L17-I92 PolarHBondContact N-O 2.82Å; L17-I92 PolarHBondContact O-N 2.9Å; Y19-I92 HydrophobicContact CD2-CD1 3.67Å; Y19-I92 HydrophobicContact CD2-CG1 4.42Å; Y19-I92 HydrophobicContact CE2-CD1 3.7Å; L90-I92 HydrophobicContact CD2-CD1 4.22Å; L90-I92 HydrophobicContact CD2-CG1 4.22Å; L90-I92 HydrophobicContact CG-CD1 4.49Å; L90-I92 HydrophobicContact CG-CG1 4.01Å; I92-L97 HydrophobicContact CB-CD2 3.93Å; I92-L97 HydrophobicContact CG1-CD2 3.81Å; I92-L97 HydrophobicContact CG2-CD2 3.77Å; I92-I156 HydrophobicContact CD1-CG2 4.08Å; I92-A159 HydrophobicContact CD1-CB 3.87Å; I92-A159 HydrophobicContact CG2-CB 4.41Å; I92-I160 HydrophobicContact CD1-CG1 3.81Å; I92-I160 HydrophobicContact CG1-CG1 4.39Å; I92-I160 HydrophobicContact CG2-CG1 4.41Å; I92-A163 HydrophobicContact CG2-CB 3.99Å
93	S	88.5	Confident	92.5	Very high	16 Å²	16	38.7 Å²	38.7	11%	0.112	21%	0.207	C	C	.	.			trans	-131.9	169.9	173.3	71.9	0	0	0	0	111.1	A95 H96	S93-A95 PolarHBondContact O-N 3.15Å; S93-A95 PolarHBondContact OG-N 2.65Å; S93-H96 PolarHBondContact N-O 3.1Å; S93-H96 VanDerWaalsContact N-O 3.12Å; S93-H96 PolarHBondContact OG-N 2.86Å; S93-H96 PolarHBondContact OG-O 2.8Å
94	T	86.2	Confident	92.6	Very high	50 Å²	50	39 Å²	39	31%	0.307	22%	0.217	S	C	.	.	S	Bend	trans	-69.8	-8.1	170.9	57.4	0	0	0	0	113	M113 L166 R167	T94-M113 VanDerWaalsContact O-CG 3.32Å; T94-M113 WeakPolarHBondContact O-CG 3.46Å; T94-L166 HydrophobicContact CG2-CB 3.77Å; T94-L166 HydrophobicContact CG2-CD1 4.13Å; T94-R167 VanDerWaalsContact O-CD 3.23Å; T94-R167 WeakPolarHBondContact O-CD 3.43Å
95	A	84.8	Confident	92.5	Very high	41 Å²	41	44.2 Å²	44.2	34%	0.339	24%	0.237	S	C	.	.	S	Bend	trans	-101.9	-42.4	-179.7	0	0	0	0	0	112.7	S93 T112 M113	S93-A95 PolarHBondContact O-N 3.15Å; S93-A95 PolarHBondContact OG-N 2.65Å; A95-T112 WeakPolarHBondContact O-CA 3.21Å; A95-M113 PolarHBondContact O-N 3.12Å
96	H	91.7	Very high	92.4	Very high	57 Å²	57	48.4 Å²	48.4	26%	0.264	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	158.1	-174.7	49.3	-93	0	0	0	113.2	E16 S93 H111	E16-H96 IonicContact OE1-CD2 3.92Å; E16-H96 IonicContact OE1-NE2 3.82Å; S93-H96 PolarHBondContact N-O 3.1Å; S93-H96 VanDerWaalsContact N-O 3.12Å; S93-H96 PolarHBondContact OG-N 2.86Å; S93-H96 PolarHBondContact OG-O 2.8Å; H96-H111 CarbonylContact C-O 3.59Å; H96-H111 WeakPolarHBondContact CA-O 3.36Å; H96-H111 VanDerWaalsContact CB-O 3.25Å; H96-H111 WeakPolarHBondContact CB-O 3.39Å
97	L	94.6	Very high	92.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.6	159.8	-62.5	-172.3	0	0	0	109	L90 F91 I92 C110 H111 M113 I116 Y132 I160	L90-L97 HydrophobicContact CD1-CB 4.23Å; F91-L97 VanDerWaalsContact O-CA 3.32Å; F91-L97 WeakPolarHBondContact O-CA 3.43Å; I92-L97 HydrophobicContact CB-CD2 3.93Å; I92-L97 HydrophobicContact CG1-CD2 3.81Å; I92-L97 HydrophobicContact CG2-CD2 3.77Å; L97-C110 WeakPolarHBondContact O-CA 3.15Å; L97-H111 PolarHBondContact N-O 3.19Å; L97-H111 PolarHBondContact O-N 3.34Å; L97-M113 HydrophobicContact CD2-SD 4.4Å; L97-M113 HydrophobicContact CG-SD 4.31Å; L97-I116 HydrophobicContact CB-CD1 3.89Å; L97-I116 HydrophobicContact CD1-CD1 3.45Å; L97-I116 VanDerWaalsContact CD1-CD1 3.45Å; L97-I116 HydrophobicContact CD1-CG1 4.46Å; L97-I116 HydrophobicContact CG-CD1 3.36Å; L97-Y132 HydrophobicContact CD1-CD1 4.01Å; L97-Y132 HydrophobicContact CD1-CD2 4.42Å; L97-Y132 HydrophobicContact CD1-CE1 4.14Å; L97-Y132 HydrophobicContact CD1-CG 4.16Å; L97-I160 HydrophobicContact CD1-CD1 4.23Å; L97-I160 HydrophobicContact CD1-CG1 4.36Å; L97-I160 HydrophobicContact CD2-CG1 4.41Å
98	R	94.4	Very high	92.1	Very high	56 Å²	56	48.3 Å²	48.3	21%	0.211	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.6	-177.6	174.4	176.7	65.6	93.9	0.3	109.9	E16 F91 V100 Q107 C110	E16-R98 IonicContact OE1-NE 3.12Å; E16-R98 IonicContact OE1-NH2 3.97Å; E16-R98 IonicContact OE2-CZ 2.92Å; E16-R98 IonicContact OE2-NH2 3.89Å; E16-R98 PolarHBondContact OE2-NH2 2.88Å; F91-R98 HydrophobicContact CB-CB 4.16Å; F91-R98 VanDerWaalsContact CD1-NH2 3.29Å; F91-R98 HydrophobicContact CD2-CG 4.5Å; F91-R98 VanDerWaalsContact CD2-CZ 3.47Å; F91-R98 VanDerWaalsContact CG-NH2 3.27Å; F91-R98 PolarHBondContact N-O 3.26Å; F91-R98 PolarHBondContact O-N 2.85Å; R98-V100 HydrophobicContact CG-CG2 4.16Å; R98-V100 VanDerWaalsContact NH1-CG2 3.28Å; R98-Q107 HydrophobicContact CG-CG 4.14Å; R98-C110 HydrophobicContact CB-CB 4.44Å; R98-C110 HydrophobicContact CG-CB 4.48Å
99	V	95	Very high	91.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123	-178.8	-179	0	0	0	0	109.3	V88 R89 L90 L108 F109 F146	V88-V99 HydrophobicContact CB-CG1 3.7Å; V88-V99 HydrophobicContact CG1-CG1 3.93Å; V88-V99 HydrophobicContact CG2-CG1 3.83Å; R89-V99 WeakPolarHBondContact O-CA 3.45Å; L90-V99 HydrophobicContact CD1-CG2 3.82Å; V99-L108 HydrophobicContact CG1-CD1 4.29Å; V99-L108 PolarHBondContact O-N 2.88Å; V99-F109 HydrophobicContact CB-CD2 3.94Å; V99-F109 HydrophobicContact CB-CE2 3.59Å; V99-F109 HydrophobicContact CB-CZ 3.95Å; V99-F109 HydrophobicContact CG1-CE2 4.14Å; V99-F109 HydrophobicContact CG1-CZ 3.99Å; V99-F109 HydrophobicContact CG2-CD2 3.94Å; V99-F109 HydrophobicContact CG2-CE2 3.35Å; V99-F109 HydrophobicContact CG2-CZ 3.99Å; V99-F109 PolarHBondContact N-O 3.39Å; V99-F146 HydrophobicContact CG1-CE1 4.19Å; V99-F146 HydrophobicContact CG2-CE1 4.08Å; V99-F146 HydrophobicContact CG2-CZ 4Å
100	V	93.3	Very high	91.8	Very high	6 Å²	6	48.1 Å²	48.1	4%	0.036	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.6	-178	-178.3	0	0	0	0	109.4	V88 R89 F91 R98 Q106 Q107	V88-V100 CarbonylContact C-O 3.49Å; V88-V100 WeakPolarHBondContact CA-O 3.44Å; V88-V100 WeakPolarHBondContact CB-O 3.25Å; R89-V100 PolarHBondContact N-O 3.26Å; R89-V100 PolarHBondContact O-N 2.88Å; F91-V100 HydrophobicContact CD2-CG2 4.09Å; F91-V100 HydrophobicContact CE2-CB 4.08Å; F91-V100 HydrophobicContact CE2-CG2 3.73Å; R98-V100 HydrophobicContact CG-CG2 4.16Å; R98-V100 VanDerWaalsContact NH1-CG2 3.28Å; V100-Q106 WeakPolarHBondContact CA-O 2.85Å; V100-Q107 HydrophobicContact CG2-CB 4.45Å
101	S	93.6	Very high	91.7	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.007	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	131.5	173.7	179	0	0	0	0	110.7	Q86 E103 S104 D105 Q106	Q86-S101 PolarHBondContact OE1-OG 3.04Å; S101-E103 PolarHBondContact O-N 3.49Å; S101-E103 PolarHBondContact OG-N 2.93Å; S101-S104 WeakPolarHBondContact CB-OG 3.44Å; S101-S104 PolarHBondContact OG-N 3.42Å; S101-S104 PolarHBondContact OG-OG 2.69Å; S101-D105 VanDerWaalsContact O-CA 3.25Å; S101-D105 WeakPolarHBondContact O-CA 3.19Å; S101-D105 PolarHBondContact O-N 2.93Å; S101-Q106 PolarHBondContact N-O 3.37Å
102	L	93.2	Very high	91.5	Very high	75 Å²	75	49.9 Å²	49.9	39%	0.393	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-18.6	174.6	-69.9	179	0	0	0	112.6	D20 N87 R89	D20-L102 HydrophobicContact CB-CD1 4.1Å; N87-L102 HydrophobicContact CB-CB 4.35Å; N87-L102 HydrophobicContact CB-CD1 4.03Å; N87-L102 PolarHBondContact O-N 2.89Å; R89-L102 HydrophobicContact CB-CD2 3.83Å
103	E	92.5	Very high	91.3	Very high	143 Å²	143	50 Å²	50	67%	0.668	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-42.4	-177.7	-65.3	173.6	-163.6	0	0	112	S101	S101-E103 PolarHBondContact O-N 3.49Å; S101-E103 PolarHBondContact OG-N 2.93Å
104	S	91.4	Very high	91.1	Very high	68 Å²	68	53.7 Å²	53.7	48%	0.476	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-6.2	-174.3	64.6	0	0	0	0	114.8	S101 Q106	S101-S104 WeakPolarHBondContact CB-OG 3.44Å; S101-S104 PolarHBondContact OG-N 3.42Å; S101-S104 PolarHBondContact OG-OG 2.69Å; S104-Q106 PolarHBondContact O-N 2.88Å; S104-Q106 VanDerWaalsContact OG-CB 3.25Å; S104-Q106 WeakPolarHBondContact OG-CB 3.45Å; S104-Q106 PolarHBondContact OG-N 3.26Å
105	D	88.8	Confident	91.4	Very high	141 Å²	141	54.5 Å²	54.5	75%	0.754	29%	0.294	S	S	*	.			trans	53.9	17.5	-169.6	-156.2	36	0	0	0	113.4	S101	S101-D105 VanDerWaalsContact O-CA 3.25Å; S101-D105 WeakPolarHBondContact O-CA 3.19Å; S101-D105 PolarHBondContact O-N 2.93Å
106	Q	89.1	Confident	91.7	Very high	118 Å²	118	52.9 Å²	52.9	55%	0.551	28%	0.279	S	S	*	.			trans	-81.4	128.9	178.3	-172.8	-178.3	10.6	0	0	109.9	V100 S101 S104 L108	V100-Q106 WeakPolarHBondContact CA-O 2.85Å; S101-Q106 PolarHBondContact N-O 3.37Å; S104-Q106 PolarHBondContact O-N 2.88Å; S104-Q106 VanDerWaalsContact OG-CB 3.25Å; S104-Q106 WeakPolarHBondContact OG-CB 3.45Å; S104-Q106 PolarHBondContact OG-N 3.26Å; Q106-L108 PolarHBondContact O-N 2.9Å; Q106-L108 VanDerWaalsContact O-N 3.14Å
107	Q	90.9	Very high	91.6	Very high	101 Å²	101	51.9 Å²	51.9	47%	0.472	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	113.3	167.2	-175.2	-179.3	-77.6	0	0	109.7	R98 V100	R98-Q107 HydrophobicContact CG-CG 4.14Å; V100-Q107 HydrophobicContact CG2-CB 4.45Å
108	L	91.4	Very high	91.5	Very high	22 Å²	22	53.4 Å²	53.4	12%	0.115	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-44.7	178.2	-58.8	-174	0	0	0	110.8	F83 V88 V99 Q106	F83-L108 HydrophobicContact CB-CD1 4.03Å; F83-L108 HydrophobicContact CD1-CD2 4.12Å; F83-L108 HydrophobicContact CD2-CD2 4.5Å; F83-L108 HydrophobicContact CE1-CD2 4.37Å; F83-L108 HydrophobicContact CG-CD1 4.38Å; F83-L108 HydrophobicContact CG-CD2 4.18Å; V88-L108 HydrophobicContact CG1-CD1 3.64Å; V99-L108 HydrophobicContact CG1-CD1 4.29Å; V99-L108 PolarHBondContact O-N 2.88Å; Q106-L108 PolarHBondContact O-N 2.9Å; Q106-L108 VanDerWaalsContact O-N 3.14Å
109	F	93.1	Very high	91.6	Very high	31 Å²	31	52 Å²	52	14%	0.136	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	161	176.1	43.2	-95.9	0	0	0	111.2	Y23 V99 H111 Y132 Y144 F146	Y23-F109 HydrophobicContact CD1-CE1 4.37Å; Y23-F109 HydrophobicContact CD2-CZ 4.07Å; Y23-F109 AromaticContact CE1-CE1 3.94Å; Y23-F109 HydrophobicContact CE1-CE1 3.94Å; Y23-F109 HydrophobicContact CE1-CZ 4.27Å; Y23-F109 HydrophobicContact CE2-CE1 4.24Å; Y23-F109 AromaticContact CE2-CZ 3.77Å; Y23-F109 HydrophobicContact CE2-CZ 3.77Å; Y23-F109 HydrophobicContact CG-CZ 4.44Å; Y23-F109 AromaticContact CZ-CE1 3.86Å; Y23-F109 AromaticContact CZ-CZ 3.87Å; V99-F109 HydrophobicContact CB-CD2 3.94Å; V99-F109 HydrophobicContact CB-CE2 3.59Å; V99-F109 HydrophobicContact CB-CZ 3.95Å; V99-F109 HydrophobicContact CG1-CE2 4.14Å; V99-F109 HydrophobicContact CG1-CZ 3.99Å; V99-F109 HydrophobicContact CG2-CD2 3.94Å; V99-F109 HydrophobicContact CG2-CE2 3.35Å; V99-F109 HydrophobicContact CG2-CZ 3.99Å; V99-F109 PolarHBondContact N-O 3.39Å; F109-H111 AromaticContact CD2-CE1 3.36Å; F109-H111 WeakPolarHBondContact CD2-CE1 3.39Å; F109-H111 AromaticContact CD2-ND1 3.88Å; F109-H111 AromaticContact CE2-CE1 3.93Å; F109-Y132 VanDerWaalsContact CE2-OH 3.3Å; F109-Y132 WeakPolarHBondContact CE2-OH 3.43Å; F109-Y144 HydrophobicContact CE2-CD1 4.04Å; F109-Y144 HydrophobicContact CE2-CE1 4.35Å; F109-Y144 AromaticContact CZ-CD1 4Å; F109-Y144 HydrophobicContact CZ-CD1 4Å; F109-Y144 HydrophobicContact CZ-CE1 4.43Å; F109-F146 HydrophobicContact CE2-CZ 4.21Å; F109-F146 HydrophobicContact CZ-CZ 4.14Å
110	C	92.1	Very high	91.6	Very high	52 Å²	52	52.7 Å²	52.7	35%	0.351	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	127.9	177	-178.6	0	0	0	0	109.1	L97 R98	L97-C110 WeakPolarHBondContact O-CA 3.15Å; R98-C110 HydrophobicContact CB-CB 4.44Å; R98-C110 HydrophobicContact CG-CB 4.48Å
111	H	93.7	Very high	91.7	Very high	5 Å²	5	53.1 Å²	53.1	2%	0.023	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.5	179.8	-59	120.5	0	0	0	109.6	H96 L97 F109 I116 Y132 A134 T136 Y144	H96-H111 CarbonylContact C-O 3.59Å; H96-H111 WeakPolarHBondContact CA-O 3.36Å; H96-H111 VanDerWaalsContact CB-O 3.25Å; H96-H111 WeakPolarHBondContact CB-O 3.39Å; L97-H111 PolarHBondContact N-O 3.19Å; L97-H111 PolarHBondContact O-N 3.34Å; F109-H111 AromaticContact CD2-CE1 3.36Å; F109-H111 WeakPolarHBondContact CD2-CE1 3.39Å; F109-H111 AromaticContact CD2-ND1 3.88Å; F109-H111 AromaticContact CE2-CE1 3.93Å; H111-I116 HydrophobicContact CB-CD1 4.19Å; H111-I116 HydrophobicContact CB-CG1 3.99Å; H111-Y132 PolarHBondContact CE1-OH 3Å; H111-Y132 VanDerWaalsContact CE1-OH 3.26Å; H111-Y132 AromaticContact ND1-CE2 3.47Å; H111-Y132 WeakPolarHBondContact ND1-CE2 3.13Å; H111-Y132 AromaticContact ND1-CZ 3.57Å; H111-Y132 PolarHBondContact ND1-OH 2.81Å; H111-A134 HydrophobicContact CB-CB 4.08Å; H111-T136 WeakPolarHBondContact CD2-CG2 3.36Å; H111-T136 VanDerWaalsContact NE2-CG2 3.3Å; H111-T136 WeakPolarHBondContact NE2-CG2 3.2Å; H111-Y144 AromaticContact CE1-CE1 3.61Å; H111-Y144 AromaticContact CE1-CE2 3.5Å; H111-Y144 AromaticContact CE1-CZ 3.28Å; H111-Y144 AromaticContact NE2-CE2 3.82Å; H111-Y144 AromaticContact NE2-CZ 3.42Å; H111-Y144 PolarHBondContact NE2-OH 3.26Å; H111-Y144 VanDerWaalsContact NE2-OH 3.17Å
112	T	90.6	Very high	91.6	Very high	64 Å²	64	53.9 Å²	53.9	39%	0.393	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	148.9	176.8	74.9	0	0	0	0	110.3	A95 P114 D115 I116	A95-T112 WeakPolarHBondContact O-CA 3.21Å; T112-P114 VanDerWaalsContact C-N 3.29Å; T112-P114 WeakPolarHBondContact OG1-CD 3.39Å; T112-D115 WeakPolarHBondContact O-CB 3.49Å; T112-D115 PolarHBondContact O-N 3.48Å; T112-D115 PolarHBondContact OG1-OD2 3.24Å; T112-I116 PolarHBondContact O-N 3.04Å
113	M	87.7	Confident	91.3	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.015	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-53	-37.6	179.8	-71.9	-58.2	-67.8	0	0	114.3	T94 A95 L97 D115 I116 A163 F164 R167	T94-M113 VanDerWaalsContact O-CG 3.32Å; T94-M113 WeakPolarHBondContact O-CG 3.46Å; A95-M113 PolarHBondContact O-N 3.12Å; L97-M113 HydrophobicContact CD2-SD 4.4Å; L97-M113 HydrophobicContact CG-SD 4.31Å; M113-D115 VanDerWaalsContact C-N 3.25Å; M113-D115 PolarHBondContact O-N 3.41Å; M113-I116 PolarHBondContact O-N 3.14Å; M113-I116 HydrophobicContact SD-CD1 3.88Å; M113-A163 HydrophobicContact CE-CB 3.78Å; M113-A163 HydrophobicContact SD-CB 4.4Å; M113-F164 HydrophobicContact CE-CB 4.1Å; M113-F164 HydrophobicContact CE-CD1 3.68Å; M113-F164 HydrophobicContact CE-CD2 3.65Å; M113-F164 HydrophobicContact CE-CE1 4.01Å; M113-F164 HydrophobicContact CE-CE2 3.99Å; M113-F164 HydrophobicContact CE-CG 3.51Å; M113-F164 HydrophobicContact CE-CZ 4.18Å; M113-F164 VanDerWaalsContact CE-N 3.35Å; M113-F164 WeakPolarHBondContact O-CE1 3.5Å; M113-R167 HydrophobicContact CB-CG 4.13Å
114	P	86	Confident	91	Very high	94 Å²	94	55.6 Å²	55.6	61%	0.61	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-61.6	-26.3	173.3	-26.6	36	0	0	0	115.7	T112	T112-P114 VanDerWaalsContact C-N 3.29Å; T112-P114 WeakPolarHBondContact OG1-CD 3.39Å
115	D	90.5	Very high	90.6	Very high	66 Å²	66	56.2 Å²	56.2	35%	0.353	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-83.7	-19.8	-177.8	-67.2	-40.1	0	0	0	112.5	T112 M113 A134 K135	T112-D115 WeakPolarHBondContact O-CB 3.49Å; T112-D115 PolarHBondContact O-N 3.48Å; T112-D115 PolarHBondContact OG1-OD2 3.24Å; M113-D115 VanDerWaalsContact C-N 3.25Å; M113-D115 PolarHBondContact O-N 3.41Å; D115-A134 CarbonylContact O-C 3.51Å; D115-A134 VanDerWaalsContact O-CA 3.25Å; D115-A134 WeakPolarHBondContact O-CA 3.42Å; D115-K135 WeakPolarHBondContact CB-O 3.27Å; D115-K135 PolarHBondContact O-N 3.34Å
116	I	91.7	Very high	90.7	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.036	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	134.4	179.3	-51.7	157.1	0	0	0	107.7	L97 H111 T112 M113 Y132 I133 A134 F164	L97-I116 HydrophobicContact CB-CD1 3.89Å; L97-I116 HydrophobicContact CD1-CD1 3.45Å; L97-I116 VanDerWaalsContact CD1-CD1 3.45Å; L97-I116 HydrophobicContact CD1-CG1 4.46Å; L97-I116 HydrophobicContact CG-CD1 3.36Å; H111-I116 HydrophobicContact CB-CD1 4.19Å; H111-I116 HydrophobicContact CB-CG1 3.99Å; T112-I116 PolarHBondContact O-N 3.04Å; M113-I116 PolarHBondContact O-N 3.14Å; M113-I116 HydrophobicContact SD-CD1 3.88Å; I116-Y132 HydrophobicContact CG1-CD2 4.46Å; I116-Y132 HydrophobicContact CG2-CD2 3.95Å; I116-Y132 HydrophobicContact CG2-CG 4.4Å; I116-I133 CarbonylContact C-O 3.57Å; I116-I133 WeakPolarHBondContact CA-O 3.44Å; I116-A134 HydrophobicContact CG1-CB 3.94Å; I116-F164 HydrophobicContact CB-CE1 4.18Å; I116-F164 HydrophobicContact CB-CE2 4.13Å; I116-F164 HydrophobicContact CB-CZ 3.38Å; I116-F164 HydrophobicContact CG2-CE2 3.69Å; I116-F164 HydrophobicContact CG2-CZ 3.35Å; I116-F164 WeakPolarHBondContact O-CE1 3.25Å; I116-F164 VanDerWaalsContact O-CZ 3.26Å; I116-F164 WeakPolarHBondContact O-CZ 3.07Å
117	S	90.1	Very high	90.8	Very high	37 Å²	37	47.3 Å²	47.3	26%	0.259	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-20.4	-168.3	61.6	0	0	0	0	114.2	I133	S117-I133 PolarHBondContact N-O 3.31Å; S117-I133 WeakPolarHBondContact OG-CG2 3.2Å; S117-I133 PolarHBondContact OG-O 3.35Å; S117-I133 VanDerWaalsContact OG-O 3.07Å
118	F	93.3	Very high	90.8	Very high	31 Å²	31	44.5 Å²	44.5	14%	0.136	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	150.8	179.8	-166.6	-112.4	0	0	0	109.8	M33 R41 A45 Y132 I133	M33-F118 HydrophobicContact CB-CB 4.21Å; M33-F118 HydrophobicContact CE-CB 3.56Å; M33-F118 HydrophobicContact CE-CD1 3.27Å; M33-F118 HydrophobicContact CE-CD2 4.14Å; M33-F118 HydrophobicContact CE-CE1 3.89Å; M33-F118 HydrophobicContact CE-CG 3.4Å; M33-F118 HydrophobicContact CG-CB 3.89Å; R41-F118 HydrophobicContact CB-CD2 4.28Å; R41-F118 HydrophobicContact CB-CE1 4.08Å; R41-F118 HydrophobicContact CB-CE2 3.87Å; R41-F118 HydrophobicContact CB-CZ 3.75Å; R41-F118 WeakPolarHBondContact O-CE1 3.38Å; A45-F118 HydrophobicContact CB-CD1 4.17Å; A45-F118 HydrophobicContact CB-CE1 3.98Å; F118-Y132 CarbonylContact O-C 3.48Å; F118-Y132 VanDerWaalsContact O-CA 3.26Å; F118-Y132 WeakPolarHBondContact O-CA 3.32Å; F118-I133 PolarHBondContact O-N 3.45Å
119	A	95.4	Very high	91	Very high	27 Å²	27	44.2 Å²	44.2	22%	0.223	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	143.6	168	0	0	0	0	0	109.2	A131 L157 I160	A119-A131 CarbonylContact C-O 3.59Å; A119-A131 VanDerWaalsContact CA-O 3.24Å; A119-A131 WeakPolarHBondContact CA-O 3.08Å; A119-L157 HydrophobicContact CB-CD2 4.02Å; A119-I160 HydrophobicContact CB-CD1 4.44Å; A119-I160 HydrophobicContact CB-CG2 3.91Å
120	S	95.2	Very high	91.2	Very high	15 Å²	15	42.8 Å²	42.8	11%	0.105	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	149.6	-178.1	-176.4	0	0	0	0	110.9	A131	S120-A131 PolarHBondContact N-O 3.17Å; S120-A131 PolarHBondContact O-N 2.91Å
121	G	94.6	Very high	91.5	Very high	15 Å²	15	40.5 Å²	40.5	16%	0.155	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	172.5	163.3	0	0	0	0	0	111.7	F129 L157	G121-F129 CarbonylContact C-O 3.54Å; G121-F129 WeakPolarHBondContact CA-O 3.48Å; G121-L157 VanDerWaalsContact N-CD1 3.33Å
122	G	91.4	Very high	91.6	Very high	17 Å²	17	40.3 Å²	40.3	18%	0.175	24%	0.239	C	C	.	.			trans	-73.4	-164.6	173	0	0	0	0	0	114.4	T126 F129	G122-T126 WeakPolarHBondContact CA-O 3.25Å; G122-T126 WeakPolarHBondContact CA-OG1 3.41Å; G122-F129 PolarHBondContact N-O 3.42Å
123	D	87.9	Confident	91.9	Very high	58 Å²	58	37.3 Å²	37.3	31%	0.31	22%	0.221	S	C	.	.			trans	-100.7	-169.2	174.3	70.9	10.6	0	0	0	111.9	K46 S125 T126 T127	K46-D123 HydrophobicContact CD-CB 4.3Å; D123-S125 PolarHBondContact O-N 2.91Å; D123-S125 VanDerWaalsContact O-N 3.12Å; D123-S125 WeakPolarHBondContact OD1-CA 3.32Å; D123-S125 WeakPolarHBondContact OD1-CB 3.36Å; D123-S125 PolarHBondContact OD1-N 2.82Å; D123-S125 PolarHBondContact OD1-OG 3.43Å; D123-T126 PolarHBondContact N-OG1 2.99Å; D123-T126 CarbonylContact O-C 3.6Å; D123-T126 VanDerWaalsContact O-C 3.29Å; D123-T126 PolarHBondContact O-N 3.4Å; D123-T126 PolarHBondContact OD1-N 3.4Å; D123-T126 VanDerWaalsContact OD1-N 3.15Å; D123-T126 PolarHBondContact OD1-OG1 2.69Å; D123-T127 WeakPolarHBondContact O-CG2 3.4Å; D123-T127 PolarHBondContact O-N 2.77Å; D123-T127 VanDerWaalsContact O-N 3.09Å
124	Q	85.8	Confident	92.2	Very high	195 Å²	195	37.1 Å²	37.1	91%	0.911	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.2	179.9	-66.4	178.3	65.8	0	0	113.9
125	S	84.4	Confident	92.5	Very high	81 Å²	81	37.8 Å²	37.8	57%	0.566	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-9.3	177.5	68.8	0	0	0	0	113.4	D123	D123-S125 PolarHBondContact O-N 2.91Å; D123-S125 VanDerWaalsContact O-N 3.12Å; D123-S125 WeakPolarHBondContact OD1-CA 3.32Å; D123-S125 WeakPolarHBondContact OD1-CB 3.36Å; D123-S125 PolarHBondContact OD1-N 2.82Å; D123-S125 PolarHBondContact OD1-OG 3.43Å
126	T	89.5	Confident	91.9	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.018	20%	0.204	C	C	.	.			trans	-135.4	37.7	-174	48.3	0	0	0	0	111.4	I49 I59 G122 D123 D128 F129	I49-T126 HydrophobicContact CG2-CG2 4.12Å; I59-T126 HydrophobicContact CD1-CG2 3.18Å; G122-T126 WeakPolarHBondContact CA-O 3.25Å; G122-T126 WeakPolarHBondContact CA-OG1 3.41Å; D123-T126 PolarHBondContact N-OG1 2.99Å; D123-T126 CarbonylContact O-C 3.6Å; D123-T126 VanDerWaalsContact O-C 3.29Å; D123-T126 PolarHBondContact O-N 3.4Å; D123-T126 PolarHBondContact OD1-N 3.4Å; D123-T126 VanDerWaalsContact OD1-N 3.15Å; D123-T126 PolarHBondContact OD1-OG1 2.69Å; T126-D128 PolarHBondContact O-N 3.4Å; T126-D128 VanDerWaalsContact O-N 3.12Å; T126-F129 HydrophobicContact CG2-CD2 4.06Å; T126-F129 HydrophobicContact CG2-CE2 4.45Å; T126-F129 PolarHBondContact O-N 3.18Å
127	T	90.5	Very high	91.3	Very high	70 Å²	70	40.9 Å²	40.9	43%	0.429	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.7	-175.1	51	0	0	0	0	113	D123 F129 E153	D123-T127 WeakPolarHBondContact O-CG2 3.4Å; D123-T127 PolarHBondContact O-N 2.77Å; D123-T127 VanDerWaalsContact O-N 3.09Å; T127-F129 VanDerWaalsContact C-N 3.26Å; T127-F129 PolarHBondContact O-N 2.88Å; T127-E153 WeakPolarHBondContact O-CG 3.46Å
128	D	92.2	Very high	90.7	Very high	42 Å²	42	47 Å²	47	23%	0.225	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	5.4	-174.1	-47.5	-22.8	0	0	0	111.2	T126 E147 C148 L150	T126-D128 PolarHBondContact O-N 3.4Å; T126-D128 VanDerWaalsContact O-N 3.12Å; D128-E147 CarbonylContact O-C 3.56Å; D128-C148 WeakPolarHBondContact O-CA 3.46Å; D128-C148 WeakPolarHBondContact O-CB 3.09Å; D128-C148 PolarHBondContact O-N 3.34Å; D128-L150 VanDerWaalsContact CG-CD2 3.47Å; D128-L150 WeakPolarHBondContact OD1-CD2 3.42Å; D128-L150 WeakPolarHBondContact OD2-CD2 3.21Å
129	F	95.7	Very high	90.1	Very high	15 Å²	15	49.6 Å²	49.6	7%	0.066	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	139.4	179.6	-64.1	-94.4	0	0	0	111.1	I24 I49 C53 M58 G121 G122 T126 T127 V145 F146 E147	I24-F129 HydrophobicContact CD1-CE1 4.38Å; I24-F129 HydrophobicContact CG1-CD1 4.35Å; I24-F129 HydrophobicContact CG1-CE1 4.03Å; I49-F129 HydrophobicContact CG2-CB 3.65Å; I49-F129 HydrophobicContact CG2-CG 4.09Å; C53-F129 WeakPolarHBondContact SG-CD1 3.43Å; C53-F129 WeakPolarHBondContact SG-CE1 3.23Å; M58-F129 HydrophobicContact CB-CZ 4.43Å; G121-F129 CarbonylContact C-O 3.54Å; G121-F129 WeakPolarHBondContact CA-O 3.48Å; G122-F129 PolarHBondContact N-O 3.42Å; T126-F129 HydrophobicContact CG2-CD2 4.06Å; T126-F129 HydrophobicContact CG2-CE2 4.45Å; T126-F129 PolarHBondContact O-N 3.18Å; T127-F129 VanDerWaalsContact C-N 3.26Å; T127-F129 PolarHBondContact O-N 2.88Å; F129-V145 HydrophobicContact CD1-CG1 4.21Å; F129-F146 VanDerWaalsContact CA-O 3.27Å; F129-F146 WeakPolarHBondContact CA-O 3.37Å; F129-E147 HydrophobicContact CD1-CB 4.03Å; F129-E147 HydrophobicContact CE1-CB 3.72Å; F129-E147 HydrophobicContact CE1-CG 4.23Å; F129-E147 HydrophobicContact CZ-CB 4.31Å; F129-E147 HydrophobicContact CZ-CG 4.33Å
130	I	97.1	Very high	89.9	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	154.6	167.9	66.6	176.5	0	0	0	109.5	L21 F146 E153 I156 L157	L21-I130 HydrophobicContact CD1-CD1 4.04Å; I130-F146 HydrophobicContact CD1-CB 4.47Å; I130-F146 HydrophobicContact CG1-CB 3.91Å; I130-F146 HydrophobicContact CG1-CD2 4.47Å; I130-F146 PolarHBondContact N-O 3.3Å; I130-F146 PolarHBondContact O-N 2.92Å; I130-E153 HydrophobicContact CG2-CB 3.81Å; I130-I156 HydrophobicContact CD1-CB 4.22Å; I130-I156 HydrophobicContact CD1-CD1 4.33Å; I130-I156 HydrophobicContact CD1-CG2 3.44Å; I130-I156 VanDerWaalsContact CD1-CG2 3.44Å; I130-L157 HydrophobicContact CB-CD2 4.4Å; I130-L157 HydrophobicContact CG2-CD1 4.19Å; I130-L157 HydrophobicContact CG2-CD2 4.31Å; I130-L157 HydrophobicContact CG2-CG 4.06Å
131	A	97.5	Very high	89.8	Confident	3 Å²	3	51.7 Å²	51.7	3%	0.025	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	148.1	168.6	0	0	0	0	0	111.5	I49 A119 S120 Y144 V145	I49-A131 HydrophobicContact CD1-CB 3.87Å; I49-A131 HydrophobicContact CG1-CB 3.65Å; A119-A131 CarbonylContact C-O 3.59Å; A119-A131 VanDerWaalsContact CA-O 3.24Å; A119-A131 WeakPolarHBondContact CA-O 3.08Å; S120-A131 PolarHBondContact N-O 3.17Å; S120-A131 PolarHBondContact O-N 2.91Å; A131-Y144 WeakPolarHBondContact CA-O 3.38Å; A131-Y144 WeakPolarHBondContact CB-O 3.3Å; A131-V145 HydrophobicContact CB-CG2 4.16Å
132	Y	97.1	Very high	89.9	Confident	1 Å²	1	52.4 Å²	52.4	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151	164	73.2	-100.2	0	0	0	110.3	L97 F109 H111 I116 F118 A134 Y144 F146	L97-Y132 HydrophobicContact CD1-CD1 4.01Å; L97-Y132 HydrophobicContact CD1-CD2 4.42Å; L97-Y132 HydrophobicContact CD1-CE1 4.14Å; L97-Y132 HydrophobicContact CD1-CG 4.16Å; F109-Y132 VanDerWaalsContact CE2-OH 3.3Å; F109-Y132 WeakPolarHBondContact CE2-OH 3.43Å; H111-Y132 PolarHBondContact CE1-OH 3Å; H111-Y132 VanDerWaalsContact CE1-OH 3.26Å; H111-Y132 AromaticContact ND1-CE2 3.47Å; H111-Y132 WeakPolarHBondContact ND1-CE2 3.13Å; H111-Y132 AromaticContact ND1-CZ 3.57Å; H111-Y132 PolarHBondContact ND1-OH 2.81Å; I116-Y132 HydrophobicContact CG1-CD2 4.46Å; I116-Y132 HydrophobicContact CG2-CD2 3.95Å; I116-Y132 HydrophobicContact CG2-CG 4.4Å; F118-Y132 CarbonylContact O-C 3.48Å; F118-Y132 VanDerWaalsContact O-CA 3.26Å; F118-Y132 WeakPolarHBondContact O-CA 3.32Å; Y132-A134 HydrophobicContact CD2-CB 4.09Å; Y132-A134 HydrophobicContact CE2-CB 3.84Å; Y132-Y144 HydrophobicContact CD2-CD2 4.12Å; Y132-Y144 AromaticContact CE2-CD2 3.47Å; Y132-Y144 HydrophobicContact CE2-CD2 3.47Å; Y132-Y144 VanDerWaalsContact CE2-CD2 3.47Å; Y132-Y144 HydrophobicContact CE2-CE2 4.18Å; Y132-Y144 AromaticContact CE2-CG 3.94Å; Y132-Y144 HydrophobicContact CE2-CG 3.94Å; Y132-Y144 AromaticContact CZ-CD2 3.92Å; Y132-Y144 AromaticContact CZ-CG 3.9Å; Y132-Y144 PolarHBondContact N-O 2.95Å; Y132-Y144 VanDerWaalsContact N-O 3.1Å; Y132-Y144 PolarHBondContact O-N 3.5Å; Y132-F146 AromaticContact CD1-CE2 3.9Å; Y132-F146 HydrophobicContact CD1-CE2 3.9Å; Y132-F146 HydrophobicContact CE1-CD2 4.41Å; Y132-F146 AromaticContact CE1-CE2 3.38Å; Y132-F146 HydrophobicContact CE1-CE2 3.38Å; Y132-F146 AromaticContact CE1-CZ 3.8Å; Y132-F146 HydrophobicContact CE1-CZ 3.8Å
133	I	95.9	Very high	90.2	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.1	-179	-63.4	169.6	0	0	0	108.8	V29 M33 I116 S117 F118 R141 Q142 C143	V29-I133 HydrophobicContact CG2-CD1 4.38Å; V29-I133 HydrophobicContact CG2-CG2 4.45Å; M33-I133 HydrophobicContact CE-CD1 3.6Å; M33-I133 HydrophobicContact CG-CB 4.32Å; M33-I133 HydrophobicContact CG-CD1 3.75Å; M33-I133 HydrophobicContact CG-CG2 4.12Å; M33-I133 HydrophobicContact SD-CD1 3.4Å; M33-I133 WeakPolarHBondContact SD-CD1 3.38Å; I116-I133 CarbonylContact C-O 3.57Å; I116-I133 WeakPolarHBondContact CA-O 3.44Å; S117-I133 PolarHBondContact N-O 3.31Å; S117-I133 WeakPolarHBondContact OG-CG2 3.2Å; S117-I133 PolarHBondContact OG-O 3.35Å; S117-I133 VanDerWaalsContact OG-O 3.07Å; F118-I133 PolarHBondContact O-N 3.45Å; I133-R141 HydrophobicContact CG2-CG 3.92Å; I133-Q142 CarbonylContact C-O 3.56Å; I133-Q142 VanDerWaalsContact CA-O 3.29Å; I133-Q142 WeakPolarHBondContact CA-O 3.26Å; I133-C143 HydrophobicContact CD1-CB 4.48Å; I133-C143 HydrophobicContact CG1-CB 3.8Å
134	A	94.5	Very high	90.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	152	177.9	0	0	0	0	0	111.8	H111 D115 I116 Y132 R141 Q142 Y144	H111-A134 HydrophobicContact CB-CB 4.08Å; D115-A134 CarbonylContact O-C 3.51Å; D115-A134 VanDerWaalsContact O-CA 3.25Å; D115-A134 WeakPolarHBondContact O-CA 3.42Å; I116-A134 HydrophobicContact CG1-CB 3.94Å; Y132-A134 HydrophobicContact CD2-CB 4.09Å; Y132-A134 HydrophobicContact CE2-CB 3.84Å; A134-R141 WeakPolarHBondContact O-CA 3.34Å; A134-Q142 PolarHBondContact N-O 3.32Å; A134-Q142 PolarHBondContact O-N 2.79Å; A134-Y144 HydrophobicContact CB-CD2 4.41Å; A134-Y144 HydrophobicContact CB-CE2 3.99Å
135	K	91.2	Very high	91.2	Very high	107 Å²	107	39.9 Å²	39.9	47%	0.465	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.2	173.1	-170.6	-176.8	178.2	-173.4	0	109.9	D115 G140 R141	D115-K135 WeakPolarHBondContact CB-O 3.27Å; D115-K135 PolarHBondContact O-N 3.34Å; K135-G140 WeakPolarHBondContact CA-O 3.49Å; K135-R141 HydrophobicContact CB-CG 4.31Å
136	T	79.2	Confident	91.8	Very high	27 Å²	27	36 Å²	36	17%	0.166	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	157.9	169.8	63.5	0	0	0	0	110.5	H111 E138 H139 G140	H111-T136 WeakPolarHBondContact CD2-CG2 3.36Å; H111-T136 VanDerWaalsContact NE2-CG2 3.3Å; H111-T136 WeakPolarHBondContact NE2-CG2 3.2Å; T136-E138 VanDerWaalsContact C-N 3.28Å; T136-H139 PolarHBondContact OG1-N 2.84Å; T136-H139 VanDerWaalsContact OG1-N 3.09Å; T136-G140 PolarHBondContact N-O 3.07Å; T136-G140 VanDerWaalsContact O-CA 3.28Å; T136-G140 WeakPolarHBondContact O-CA 3.48Å; T136-G140 PolarHBondContact O-N 2.84Å; T136-G140 VanDerWaalsContact O-N 3.13Å
137	A	79	Confident	92.1	Very high	112 Å²	112	38.6 Å²	38.6	93%	0.926	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-34.3	172.9	0	0	0	0	0	111.7
138	E	77.4	Confident	92.3	Very high	165 Å²	165	35.8 Å²	35.8	77%	0.771	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-40.6	-172.6	-61.7	-176.4	175.6	0	0	113.7	T136	T136-E138 VanDerWaalsContact C-N 3.28Å
139	H	81.6	Confident	92.1	Very high	86 Å²	86	36.6 Å²	36.6	40%	0.398	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	3.1	-173	-57.7	-40.4	0	0	0	112.7	T136 Q142	T136-H139 PolarHBondContact OG1-N 2.84Å; T136-H139 VanDerWaalsContact OG1-N 3.09Å; H139-Q142 HydrophobicContact CB-CG 3.66Å; H139-Q142 PolarHBondContact O-NE2 3.38Å
140	G	89.8	Confident	91.6	Very high	29 Å²	29	42.6 Å²	42.6	30%	0.299	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	63	-144.3	-172	0	0	0	0	0	110.9	K135 T136	K135-G140 WeakPolarHBondContact CA-O 3.49Å; T136-G140 PolarHBondContact N-O 3.07Å; T136-G140 VanDerWaalsContact O-CA 3.28Å; T136-G140 WeakPolarHBondContact O-CA 3.48Å; T136-G140 PolarHBondContact O-N 2.84Å; T136-G140 VanDerWaalsContact O-N 3.13Å
141	R	94.4	Very high	91	Very high	57 Å²	57	45.1 Å²	45.1	22%	0.215	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	120.4	-175.9	-148.5	-177.9	-67	113.7	-6.3	109.6	V29 A30 T31 S32 I133 A134 K135	V29-R141 PolarHBondContact N-O 2.73Å; V29-R141 WeakPolarHBondContact O-CB 3.44Å; A30-R141 PolarHBondContact O-NH1 2.98Å; T31-R141 PolarHBondContact O-NH1 3.27Å; S32-R141 VanDerWaalsContact CA-CZ 3.42Å; S32-R141 VanDerWaalsContact N-NH1 3.14Å; I133-R141 HydrophobicContact CG2-CG 3.92Å; A134-R141 WeakPolarHBondContact O-CA 3.34Å; K135-R141 HydrophobicContact CB-CG 4.31Å
142	Q	95.6	Very high	90.7	Very high	29 Å²	29	46.8 Å²	46.8	14%	0.136	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	141.8	-173.4	-64.4	-66.4	-39.3	0	0	110	V27 G28 I133 A134 H139 Y144	V27-Q142 WeakPolarHBondContact O-CA 3.3Å; V27-Q142 PolarHBondContact O-OE1 2.86Å; G28-Q142 VanDerWaalsContact N-OE1 3.14Å; I133-Q142 CarbonylContact C-O 3.56Å; I133-Q142 VanDerWaalsContact CA-O 3.29Å; I133-Q142 WeakPolarHBondContact CA-O 3.26Å; A134-Q142 PolarHBondContact N-O 3.32Å; A134-Q142 PolarHBondContact O-N 2.79Å; H139-Q142 HydrophobicContact CB-CG 3.66Å; H139-Q142 PolarHBondContact O-NE2 3.38Å; Q142-Y144 HydrophobicContact CB-CD2 4.28Å; Q142-Y144 HydrophobicContact CB-CE2 3.55Å; Q142-Y144 WeakPolarHBondContact O-CD2 3.39Å; Q142-Y144 WeakPolarHBondContact O-CE2 3.32Å
143	C	96.9	Very high	90.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	114.9	170.7	-170.1	0	0	0	0	108.6	C26 V27 V29 C48 I133	C26-C143 CarbonylContact C-O 3.44Å; C26-C143 WeakPolarHBondContact CA-O 3.47Å; C26-C143 VanDerWaalsContact CB-O 3.25Å; C26-C143 WeakPolarHBondContact CB-O 3.49Å; V27-C143 HydrophobicContact CG1-CB 4.08Å; V27-C143 PolarHBondContact N-O 3.42Å; V27-C143 PolarHBondContact O-N 2.92Å; V29-C143 HydrophobicContact CG2-CB 3.83Å; C48-C143 HydrophobicContact CB-CB 3.84Å; C48-C143 WeakPolarHBondContact CB-SG 3.5Å; I133-C143 HydrophobicContact CD1-CB 4.48Å; I133-C143 HydrophobicContact CG1-CB 3.8Å
144	Y	97.6	Very high	90.3	Very high	8 Å²	8	55.6 Å²	55.6	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.2	-177.6	-61.8	-94.4	0	0	0	109.4	Y23 C26 F109 H111 A131 Y132 A134 Q142	Y23-Y144 HydrophobicContact CE2-CD1 4.18Å; C26-Y144 HydrophobicContact CB-CD1 3.85Å; C26-Y144 HydrophobicContact CB-CE1 4.16Å; C26-Y144 HydrophobicContact CB-CG 4.28Å; F109-Y144 HydrophobicContact CE2-CD1 4.04Å; F109-Y144 HydrophobicContact CE2-CE1 4.35Å; F109-Y144 AromaticContact CZ-CD1 4Å; F109-Y144 HydrophobicContact CZ-CD1 4Å; F109-Y144 HydrophobicContact CZ-CE1 4.43Å; H111-Y144 AromaticContact CE1-CE1 3.61Å; H111-Y144 AromaticContact CE1-CE2 3.5Å; H111-Y144 AromaticContact CE1-CZ 3.28Å; H111-Y144 AromaticContact NE2-CE2 3.82Å; H111-Y144 AromaticContact NE2-CZ 3.42Å; H111-Y144 PolarHBondContact NE2-OH 3.26Å; H111-Y144 VanDerWaalsContact NE2-OH 3.17Å; A131-Y144 WeakPolarHBondContact CA-O 3.38Å; A131-Y144 WeakPolarHBondContact CB-O 3.3Å; Y132-Y144 HydrophobicContact CD2-CD2 4.12Å; Y132-Y144 AromaticContact CE2-CD2 3.47Å; Y132-Y144 HydrophobicContact CE2-CD2 3.47Å; Y132-Y144 VanDerWaalsContact CE2-CD2 3.47Å; Y132-Y144 HydrophobicContact CE2-CE2 4.18Å; Y132-Y144 AromaticContact CE2-CG 3.94Å; Y132-Y144 HydrophobicContact CE2-CG 3.94Å; Y132-Y144 AromaticContact CZ-CD2 3.92Å; Y132-Y144 AromaticContact CZ-CG 3.9Å; Y132-Y144 PolarHBondContact N-O 2.95Å; Y132-Y144 VanDerWaalsContact N-O 3.1Å; Y132-Y144 PolarHBondContact O-N 3.5Å; A134-Y144 HydrophobicContact CB-CD2 4.41Å; A134-Y144 HydrophobicContact CB-CE2 3.99Å; Q142-Y144 HydrophobicContact CB-CD2 4.28Å; Q142-Y144 HydrophobicContact CB-CE2 3.55Å; Q142-Y144 WeakPolarHBondContact O-CD2 3.39Å; Q142-Y144 WeakPolarHBondContact O-CE2 3.32Å
145	V	97.7	Very high	90.2	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.6	-171.4	-178.2	0	0	0	0	110.6	Y23 I24 G25 I49 V52 F129 A131	Y23-V145 WeakPolarHBondContact CD2-O 3.5Å; I24-V145 HydrophobicContact CB-CG1 4.35Å; I24-V145 PolarHBondContact N-O 3.01Å; G25-V145 PolarHBondContact O-N 3.32Å; I49-V145 HydrophobicContact CB-CG1 4.46Å; I49-V145 HydrophobicContact CG1-CG1 4.19Å; I49-V145 HydrophobicContact CG1-CG2 4.22Å; I49-V145 HydrophobicContact CG2-CG1 4.26Å; V52-V145 HydrophobicContact CB-CB 4.24Å; V52-V145 HydrophobicContact CB-CG2 3.92Å; V52-V145 HydrophobicContact CG1-CB 3.96Å; V52-V145 HydrophobicContact CG1-CG1 4.41Å; V52-V145 HydrophobicContact CG1-CG2 4.15Å; V52-V145 HydrophobicContact CG2-CG2 3.89Å; F129-V145 HydrophobicContact CD1-CG1 4.21Å; A131-V145 HydrophobicContact CB-CG2 4.16Å
146	F	97.8	Very high	90.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143	-179.5	-56.1	-100.7	0	0	0	110.1	L21 R22 Y23 V88 V99 F109 F129 I130 Y132	L21-F146 HydrophobicContact CB-CB 4.44Å; L21-F146 HydrophobicContact CB-CD1 4.39Å; L21-F146 HydrophobicContact CD1-CB 4.11Å; L21-F146 HydrophobicContact CD1-CD1 4.27Å; L21-F146 HydrophobicContact CD1-CG 4.3Å; R22-F146 CarbonylContact O-C 3.51Å; R22-F146 VanDerWaalsContact O-CA 3.27Å; R22-F146 WeakPolarHBondContact O-CA 3.37Å; Y23-F146 AromaticContact CD2-CD1 3.87Å; Y23-F146 HydrophobicContact CD2-CD1 3.87Å; Y23-F146 AromaticContact CD2-CE1 3.45Å; Y23-F146 HydrophobicContact CD2-CE1 3.45Å; Y23-F146 VanDerWaalsContact CD2-CE1 3.45Å; Y23-F146 HydrophobicContact CD2-CE2 4.25Å; Y23-F146 HydrophobicContact CD2-CG 4.43Å; Y23-F146 AromaticContact CD2-CZ 3.66Å; Y23-F146 HydrophobicContact CD2-CZ 3.66Å; Y23-F146 HydrophobicContact CE2-CE1 4.33Å; Y23-F146 HydrophobicContact CE2-CZ 4.09Å; Y23-F146 HydrophobicContact CG-CD1 4.46Å; Y23-F146 HydrophobicContact CG-CE1 4.11Å; V88-F146 HydrophobicContact CG2-CD1 4.1Å; V88-F146 HydrophobicContact CG2-CE1 4.12Å; V99-F146 HydrophobicContact CG1-CE1 4.19Å; V99-F146 HydrophobicContact CG2-CE1 4.08Å; V99-F146 HydrophobicContact CG2-CZ 4Å; F109-F146 HydrophobicContact CE2-CZ 4.21Å; F109-F146 HydrophobicContact CZ-CZ 4.14Å; F129-F146 VanDerWaalsContact CA-O 3.27Å; F129-F146 WeakPolarHBondContact CA-O 3.37Å; I130-F146 HydrophobicContact CD1-CB 4.47Å; I130-F146 HydrophobicContact CG1-CB 3.91Å; I130-F146 HydrophobicContact CG1-CD2 4.47Å; I130-F146 PolarHBondContact N-O 3.3Å; I130-F146 PolarHBondContact O-N 2.92Å; Y132-F146 AromaticContact CD1-CE2 3.9Å; Y132-F146 HydrophobicContact CD1-CE2 3.9Å; Y132-F146 HydrophobicContact CE1-CD2 4.41Å; Y132-F146 AromaticContact CE1-CE2 3.38Å; Y132-F146 HydrophobicContact CE1-CE2 3.38Å; Y132-F146 AromaticContact CE1-CZ 3.8Å; Y132-F146 HydrophobicContact CE1-CZ 3.8Å
147	E	96.2	Very high	91.1	Very high	57 Å²	57	54.9 Å²	54.9	27%	0.266	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134.6	165.7	174.3	-178.4	-136.1	0	0	108.5	R22 I24 D128 F129	R22-E147 HydrophobicContact CB-CB 4.2Å; R22-E147 WeakPolarHBondContact CD-OE2 3.11Å; R22-E147 PolarHBondContact N-O 2.9Å; R22-E147 IonicContact NH1-OE2 3.1Å; R22-E147 PolarHBondContact NH1-OE2 3.44Å; R22-E147 PolarHBondContact O-N 3.24Å; I24-E147 HydrophobicContact CD1-CB 3.8Å; I24-E147 HydrophobicContact CG1-CB 4.12Å; D128-E147 CarbonylContact O-C 3.56Å; F129-E147 HydrophobicContact CD1-CB 4.03Å; F129-E147 HydrophobicContact CE1-CB 3.72Å; F129-E147 HydrophobicContact CE1-CG 4.23Å; F129-E147 HydrophobicContact CZ-CB 4.31Å; F129-E147 HydrophobicContact CZ-CG 4.33Å
148	C	93.3	Very high	91.6	Very high	10 Å²	10	52.4 Å²	52.4	7%	0.068	29%	0.287	C	S	.	.			trans	-113.9	162.1	-176.5	-51.3	0	0	0	0	110.1	L21 D128 T152 I156	L21-C148 HydrophobicContact CD2-CB 3.74Å; L21-C148 WeakPolarHBondContact CD2-SG 3.29Å; D128-C148 WeakPolarHBondContact O-CA 3.46Å; D128-C148 WeakPolarHBondContact O-CB 3.09Å; D128-C148 PolarHBondContact O-N 3.34Å; C148-T152 WeakPolarHBondContact CB-OG1 3.5Å; C148-I156 HydrophobicContact CB-CD1 4.44Å
149	A	88.3	Confident	92.3	Very high	59 Å²	59	44.7 Å²	44.7	49%	0.488	25%	0.252	S	S	.	.			trans	-65.4	146.7	164.3	0	0	0	0	0	110.2	G151 T152	A149-G151 PolarHBondContact O-N 3.33Å; A149-G151 VanDerWaalsContact O-N 3.15Å; A149-T152 HydrophobicContact CB-CG2 3.96Å; A149-T152 PolarHBondContact O-N 3.47Å; A149-T152 VanDerWaalsContact O-N 3.09Å; A149-T152 PolarHBondContact O-OG1 2.85Å
150	L	86.3	Confident	92.9	Very high	141 Å²	141	40.7 Å²	40.7	74%	0.738	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	121	178.2	-80.6	159.2	0	0	0	111.2	D128	D128-L150 VanDerWaalsContact CG-CD2 3.47Å; D128-L150 WeakPolarHBondContact OD1-CD2 3.42Å; D128-L150 WeakPolarHBondContact OD2-CD2 3.21Å
151	G	83.9	Confident	92.9	Very high	55 Å²	55	41 Å²	41	57%	0.567	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.7	-7.6	175.9	0	0	0	0	0	115.6	A149 E153	A149-G151 PolarHBondContact O-N 3.33Å; A149-G151 VanDerWaalsContact O-N 3.15Å; G151-E153 WeakPolarHBondContact CA-OE2 3.29Å; G151-E153 PolarHBondContact N-OE2 3.37Å
152	T	91.2	Very high	92.5	Very high	39 Å²	39	41.2 Å²	41.2	24%	0.239	24%	0.24	C	C	.	.			trans	-85.5	-12.2	178.4	67.4	0	0	0	0	112.9	C148 A149 K154 E155 I156	C148-T152 WeakPolarHBondContact CB-OG1 3.5Å; A149-T152 HydrophobicContact CB-CG2 3.96Å; A149-T152 PolarHBondContact O-N 3.47Å; A149-T152 VanDerWaalsContact O-N 3.09Å; A149-T152 PolarHBondContact O-OG1 2.85Å; T152-K154 VanDerWaalsContact C-N 3.31Å; T152-K154 PolarHBondContact O-N 3.42Å; T152-E155 PolarHBondContact O-N 2.98Å; T152-I156 VanDerWaalsContact O-CG1 3.32Å; T152-I156 WeakPolarHBondContact O-CG1 3.24Å; T152-I156 PolarHBondContact O-N 2.89Å; T152-I156 VanDerWaalsContact O-N 3.08Å
153	E	92.3	Very high	92.1	Very high	30 Å²	30	39.9 Å²	39.9	14%	0.14	23%	0.234	C	C	.	.	H	α-helix	trans	-58.9	-41.6	-174.7	79	-67.9	166.8	0	0	112.2	T127 I130 G151 I156 L157	T127-E153 WeakPolarHBondContact O-CG 3.46Å; I130-E153 HydrophobicContact CG2-CB 3.81Å; G151-E153 WeakPolarHBondContact CA-OE2 3.29Å; G151-E153 PolarHBondContact N-OE2 3.37Å; E153-I156 PolarHBondContact O-N 2.94Å; E153-L157 WeakPolarHBondContact O-CB 3.33Å; E153-L157 WeakPolarHBondContact O-CD1 3.22Å; E153-L157 WeakPolarHBondContact O-CG 3.26Å; E153-L157 PolarHBondContact O-N 2.8Å
154	K	91.4	Very high	91.6	Very high	156 Å²	156	42.5 Å²	42.5	68%	0.678	25%	0.245	S	C	*	.	H	α-helix	trans	-68.6	-38.5	-179.4	-73.4	172.5	-169.3	174.9	0	112	T152 S158	T152-K154 VanDerWaalsContact C-N 3.31Å; T152-K154 PolarHBondContact O-N 3.42Å; K154-S158 VanDerWaalsContact O-CB 3.26Å; K154-S158 WeakPolarHBondContact O-CB 3.42Å; K154-S158 PolarHBondContact O-N 2.75Å
155	E	92.2	Very high	90.7	Very high	80 Å²	80	44.5 Å²	44.5	37%	0.374	26%	0.264	S	S	.	.	H	α-helix	trans	-64.4	-48.3	178.3	-166.7	-168.1	151.8	0	0	110.1	Y19 T152 L157 S158 A159	Y19-E155 HydrophobicContact CE1-CG 4.21Å; Y19-E155 VanDerWaalsContact CE1-OE1 3.27Å; Y19-E155 WeakPolarHBondContact CE1-OE1 3.29Å; Y19-E155 PolarHBondContact OH-OE1 3.09Å; T152-E155 PolarHBondContact O-N 2.98Å; E155-L157 PolarHBondContact O-N 3.34Å; E155-S158 WeakPolarHBondContact O-CB 3.42Å; E155-S158 PolarHBondContact O-N 3.42Å; E155-A159 WeakPolarHBondContact O-CB 3.42Å; E155-A159 PolarHBondContact O-N 3.11Å
156	I	94.6	Very high	89.7	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-46.9	-179.6	-63.4	164.3	0	0	0	111.1	Y19 L21 L90 I92 I130 C148 T152 E153 S158 A159 I160	Y19-I156 HydrophobicContact CD1-CD1 4.09Å; Y19-I156 HydrophobicContact CD1-CG1 3.55Å; Y19-I156 HydrophobicContact CD2-CG1 3.94Å; Y19-I156 HydrophobicContact CE1-CG1 3.91Å; Y19-I156 HydrophobicContact CE2-CG1 4.26Å; Y19-I156 HydrophobicContact CG-CD1 4.07Å; Y19-I156 HydrophobicContact CG-CG1 3.57Å; L21-I156 HydrophobicContact CD1-CD1 4.28Å; L21-I156 HydrophobicContact CD2-CD1 3.66Å; L21-I156 HydrophobicContact CG-CD1 4.42Å; L90-I156 HydrophobicContact CD2-CG2 4.12Å; I92-I156 HydrophobicContact CD1-CG2 4.08Å; I130-I156 HydrophobicContact CD1-CB 4.22Å; I130-I156 HydrophobicContact CD1-CD1 4.33Å; I130-I156 HydrophobicContact CD1-CG2 3.44Å; I130-I156 VanDerWaalsContact CD1-CG2 3.44Å; C148-I156 HydrophobicContact CB-CD1 4.44Å; T152-I156 VanDerWaalsContact O-CG1 3.32Å; T152-I156 WeakPolarHBondContact O-CG1 3.24Å; T152-I156 PolarHBondContact O-N 2.89Å; T152-I156 VanDerWaalsContact O-N 3.08Å; E153-I156 PolarHBondContact O-N 2.94Å; I156-S158 VanDerWaalsContact C-N 3.27Å; I156-S158 PolarHBondContact O-N 2.86Å; I156-A159 WeakPolarHBondContact O-CB 3.36Å; I156-A159 PolarHBondContact O-N 3.35Å; I156-I160 HydrophobicContact CG2-CD1 4.1Å; I156-I160 WeakPolarHBondContact O-CG1 3.38Å; I156-I160 PolarHBondContact O-N 2.76Å
157	L	94.8	Very high	88.5	Confident	40 Å²	40	49 Å²	49	21%	0.209	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-36	177.4	-70	169	0	0	0	111.8	A119 G121 I130 E153 E155 G161	A119-L157 HydrophobicContact CB-CD2 4.02Å; G121-L157 VanDerWaalsContact N-CD1 3.33Å; I130-L157 HydrophobicContact CB-CD2 4.4Å; I130-L157 HydrophobicContact CG2-CD1 4.19Å; I130-L157 HydrophobicContact CG2-CD2 4.31Å; I130-L157 HydrophobicContact CG2-CG 4.06Å; E153-L157 WeakPolarHBondContact O-CB 3.33Å; E153-L157 WeakPolarHBondContact O-CD1 3.22Å; E153-L157 WeakPolarHBondContact O-CG 3.26Å; E153-L157 PolarHBondContact O-N 2.8Å; E155-L157 PolarHBondContact O-N 3.34Å; L157-G161 PolarHBondContact O-N 2.85Å
158	S	90.6	Very high	87.1	Confident	59 Å²	59	53.3 Å²	53.3	41%	0.413	30%	0.301	S	S	.	.	H	α-helix	trans	-65.8	-44	173.2	-168.4	0	0	0	0	111.5	K154 E155 I156 G161 Q162	K154-S158 VanDerWaalsContact O-CB 3.26Å; K154-S158 WeakPolarHBondContact O-CB 3.42Å; K154-S158 PolarHBondContact O-N 2.75Å; E155-S158 WeakPolarHBondContact O-CB 3.42Å; E155-S158 PolarHBondContact O-N 3.42Å; I156-S158 VanDerWaalsContact C-N 3.27Å; I156-S158 PolarHBondContact O-N 2.86Å; S158-G161 PolarHBondContact O-N 3.12Å; S158-Q162 WeakPolarHBondContact O-CB 3.16Å; S158-Q162 VanDerWaalsContact O-CG 3.26Å; S158-Q162 WeakPolarHBondContact O-CG 3.25Å; S158-Q162 PolarHBondContact O-N 2.97Å; S158-Q162 PolarHBondContact OG-NE2 2.72Å
159	A	92	Very high	85.5	Confident	3 Å²	3	56.1 Å²	56.1	3%	0.025	31%	0.313	C	S	.	.	H	α-helix	trans	-61.1	-45.2	176.9	0	0	0	0	0	111.9	L17 Y19 I92 E155 I156 Q162 A163	L17-A159 HydrophobicContact CD1-CB 3.74Å; Y19-A159 HydrophobicContact CE2-CB 4.17Å; I92-A159 HydrophobicContact CD1-CB 3.87Å; I92-A159 HydrophobicContact CG2-CB 4.41Å; E155-A159 WeakPolarHBondContact O-CB 3.42Å; E155-A159 PolarHBondContact O-N 3.11Å; I156-A159 WeakPolarHBondContact O-CB 3.36Å; I156-A159 PolarHBondContact O-N 3.35Å; A159-Q162 PolarHBondContact O-N 3.5Å; A159-A163 WeakPolarHBondContact O-CB 3.36Å; A159-A163 PolarHBondContact O-N 3.42Å
160	I	93.5	Very high	83.9	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-61.1	-48	173.9	-65.1	174.3	0	0	0	110.1	I92 L97 A119 I156 Q162 A163 F164	I92-I160 HydrophobicContact CD1-CG1 3.81Å; I92-I160 HydrophobicContact CG1-CG1 4.39Å; I92-I160 HydrophobicContact CG2-CG1 4.41Å; L97-I160 HydrophobicContact CD1-CD1 4.23Å; L97-I160 HydrophobicContact CD1-CG1 4.36Å; L97-I160 HydrophobicContact CD2-CG1 4.41Å; A119-I160 HydrophobicContact CB-CD1 4.44Å; A119-I160 HydrophobicContact CB-CG2 3.91Å; I156-I160 HydrophobicContact CG2-CD1 4.1Å; I156-I160 WeakPolarHBondContact O-CG1 3.38Å; I156-I160 PolarHBondContact O-N 2.76Å; I160-Q162 VanDerWaalsContact C-N 3.34Å; I160-Q162 PolarHBondContact O-N 3.32Å; I160-A163 PolarHBondContact O-N 3.07Å; I160-F164 HydrophobicContact CG2-CD2 3.67Å; I160-F164 HydrophobicContact CG2-CE2 3.64Å; I160-F164 VanDerWaalsContact O-CD2 3.25Å; I160-F164 WeakPolarHBondContact O-CD2 3.46Å; I160-F164 PolarHBondContact O-N 3.49Å
161	G	90.3	Very high	82.2	Confident	36 Å²	36	52.5 Å²	52.5	37%	0.371	29%	0.287	S	S	.	.	H	α-helix	trans	-60	-41.1	178.7	0	0	0	0	0	113.2	L157 S158 F164 A165	L157-G161 PolarHBondContact O-N 2.85Å; S158-G161 PolarHBondContact O-N 3.12Å; G161-F164 WeakPolarHBondContact O-CB 3.36Å; G161-F164 PolarHBondContact O-N 3.1Å; G161-A165 WeakPolarHBondContact O-CB 3.48Å; G161-A165 PolarHBondContact O-N 2.78Å
162	Q	86.8	Confident	80.3	Confident	62 Å²	62	52.8 Å²	52.8	29%	0.29	28%	0.278	S	S	.	.	H	α-helix	trans	-66.4	-44.5	174.3	-75	173.8	45.6	0	0	111.3	L8 S158 A159 I160 F164 A165 L166	L8-Q162 HydrophobicContact CD1-CB 3.89Å; S158-Q162 WeakPolarHBondContact O-CB 3.16Å; S158-Q162 VanDerWaalsContact O-CG 3.26Å; S158-Q162 WeakPolarHBondContact O-CG 3.25Å; S158-Q162 PolarHBondContact O-N 2.97Å; S158-Q162 PolarHBondContact OG-NE2 2.72Å; A159-Q162 PolarHBondContact O-N 3.5Å; I160-Q162 VanDerWaalsContact C-N 3.34Å; I160-Q162 PolarHBondContact O-N 3.32Å; Q162-F164 VanDerWaalsContact C-N 3.26Å; Q162-F164 PolarHBondContact O-N 2.8Å; Q162-A165 PolarHBondContact O-N 2.95Å; Q162-L166 VanDerWaalsContact O-CB 3.27Å; Q162-L166 WeakPolarHBondContact O-CB 3.48Å; Q162-L166 VanDerWaalsContact O-CG 3.26Å; Q162-L166 WeakPolarHBondContact O-CG 3.41Å; Q162-L166 PolarHBondContact O-N 2.92Å
163	A	87.3	Confident	78.1	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.1	-39.6	175.3	0	0	0	0	0	111.6	I92 M113 A159 I160 R167	I92-A163 HydrophobicContact CG2-CB 3.99Å; M113-A163 HydrophobicContact CE-CB 3.78Å; M113-A163 HydrophobicContact SD-CB 4.4Å; A159-A163 WeakPolarHBondContact O-CB 3.36Å; A159-A163 PolarHBondContact O-N 3.42Å; I160-A163 PolarHBondContact O-N 3.07Å; A163-R167 VanDerWaalsContact O-CB 3.32Å; A163-R167 WeakPolarHBondContact O-CB 3.49Å; A163-R167 PolarHBondContact O-N 2.8Å
164	F	85.6	Confident	75.4	Confident	56 Å²	56	61 Å²	61	25%	0.246	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-50.9	172.8	-92.3	-68	0	0	0	112.7	M113 I116 I160 G161 Q162 L166 R167 F168	M113-F164 HydrophobicContact CE-CB 4.1Å; M113-F164 HydrophobicContact CE-CD1 3.68Å; M113-F164 HydrophobicContact CE-CD2 3.65Å; M113-F164 HydrophobicContact CE-CE1 4.01Å; M113-F164 HydrophobicContact CE-CE2 3.99Å; M113-F164 HydrophobicContact CE-CG 3.51Å; M113-F164 HydrophobicContact CE-CZ 4.18Å; M113-F164 VanDerWaalsContact CE-N 3.35Å; M113-F164 WeakPolarHBondContact O-CE1 3.5Å; I116-F164 HydrophobicContact CB-CE1 4.18Å; I116-F164 HydrophobicContact CB-CE2 4.13Å; I116-F164 HydrophobicContact CB-CZ 3.38Å; I116-F164 HydrophobicContact CG2-CE2 3.69Å; I116-F164 HydrophobicContact CG2-CZ 3.35Å; I116-F164 WeakPolarHBondContact O-CE1 3.25Å; I116-F164 VanDerWaalsContact O-CZ 3.26Å; I116-F164 WeakPolarHBondContact O-CZ 3.07Å; I160-F164 HydrophobicContact CG2-CD2 3.67Å; I160-F164 HydrophobicContact CG2-CE2 3.64Å; I160-F164 VanDerWaalsContact O-CD2 3.25Å; I160-F164 WeakPolarHBondContact O-CD2 3.46Å; I160-F164 PolarHBondContact O-N 3.49Å; G161-F164 WeakPolarHBondContact O-CB 3.36Å; G161-F164 PolarHBondContact O-N 3.1Å; Q162-F164 VanDerWaalsContact C-N 3.26Å; Q162-F164 PolarHBondContact O-N 2.8Å; F164-L166 VanDerWaalsContact C-N 3.33Å; F164-L166 PolarHBondContact O-N 3.32Å; F164-R167 PolarHBondContact O-N 3.28Å; F164-F168 WeakPolarHBondContact O-CB 3.45Å; F164-F168 PolarHBondContact O-N 2.73Å
165	A	79.1	Confident	72.7	Confident	50 Å²	50	55.6 Å²	55.6	41%	0.413	30%	0.296	S	S	.	.	H	α-helix	trans	-60.4	-44.4	179.4	0	0	0	0	0	110.7	G161 Q162 F168 E169	G161-A165 WeakPolarHBondContact O-CB 3.48Å; G161-A165 PolarHBondContact O-N 2.78Å; Q162-A165 PolarHBondContact O-N 2.95Å; A165-F168 CarbonylContact O-C 3.6Å; A165-F168 WeakPolarHBondContact O-CB 3.23Å; A165-F168 PolarHBondContact O-N 3.24Å; A165-E169 WeakPolarHBondContact O-CB 3.4Å; A165-E169 WeakPolarHBondContact O-CG 3.37Å; A165-E169 PolarHBondContact O-N 2.86Å
166	L	77.2	Confident	69.7	Low	30 Å²	30	57 Å²	57	16%	0.157	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-40.7	176.1	-72.2	173.1	0	0	0	111.9	L8 T94 Q162 F164 F168 E169 H170	L8-L166 HydrophobicContact CB-CD1 4.03Å; T94-L166 HydrophobicContact CG2-CB 3.77Å; T94-L166 HydrophobicContact CG2-CD1 4.13Å; Q162-L166 VanDerWaalsContact O-CB 3.27Å; Q162-L166 WeakPolarHBondContact O-CB 3.48Å; Q162-L166 VanDerWaalsContact O-CG 3.26Å; Q162-L166 WeakPolarHBondContact O-CG 3.41Å; Q162-L166 PolarHBondContact O-N 2.92Å; F164-L166 VanDerWaalsContact C-N 3.33Å; F164-L166 PolarHBondContact O-N 3.32Å; L166-F168 VanDerWaalsContact C-N 3.31Å; L166-F168 PolarHBondContact O-N 2.89Å; L166-E169 CarbonylContact O-C 3.57Å; L166-E169 PolarHBondContact O-N 2.94Å; L166-H170 WeakPolarHBondContact O-CB 3.18Å; L166-H170 PolarHBondContact O-CD2 3.24Å; L166-H170 PolarHBondContact O-N 3.37Å
167	R	71.6	Confident	66.8	Low	64 Å²	64	61.2 Å²	61.2	24%	0.242	35%	0.347	C	S	.	.	H	α-helix	trans	-67.1	-35.7	175.2	-173.5	59.1	168.8	-169.2	8.3	111.1	T94 M113 A163 F164 A171 L315 E316	T94-R167 VanDerWaalsContact O-CD 3.23Å; T94-R167 WeakPolarHBondContact O-CD 3.43Å; M113-R167 HydrophobicContact CB-CG 4.13Å; A163-R167 VanDerWaalsContact O-CB 3.32Å; A163-R167 WeakPolarHBondContact O-CB 3.49Å; A163-R167 PolarHBondContact O-N 2.8Å; F164-R167 PolarHBondContact O-N 3.28Å; R167-A171 WeakPolarHBondContact O-CB 3.2Å; R167-A171 PolarHBondContact O-N 2.86Å; R167-L315 VanDerWaalsContact NH2-CD2 3.28Å; R167-E316 IonicContact NH2-OE1 3.86Å; R167-E316 PolarHBondContact NH2-OE1 2.81Å; R167-E316 VanDerWaalsContact NH2-OE1 3.12Å
168	F	66.9	Low	64.1	Low	148 Å²	148	65.5 Å²	65.5	65%	0.649	37%	0.369	S	S	*	.	H	α-helix	trans	-68.1	-39.6	172.6	-168.5	-94.4	0	0	0	111.5	F164 A165 L166 A171 T172	F164-F168 WeakPolarHBondContact O-CB 3.45Å; F164-F168 PolarHBondContact O-N 2.73Å; A165-F168 CarbonylContact O-C 3.6Å; A165-F168 WeakPolarHBondContact O-CB 3.23Å; A165-F168 PolarHBondContact O-N 3.24Å; L166-F168 VanDerWaalsContact C-N 3.31Å; L166-F168 PolarHBondContact O-N 2.89Å; F168-A171 CarbonylContact O-C 3.57Å; F168-A171 PolarHBondContact O-N 3.25Å; F168-T172 HydrophobicContact CD1-CG2 4.35Å; F168-T172 HydrophobicContact CE1-CG2 4.13Å; F168-T172 WeakPolarHBondContact O-CB 3.39Å; F168-T172 VanDerWaalsContact O-CG2 3.29Å; F168-T172 WeakPolarHBondContact O-CG2 3.42Å; F168-T172 PolarHBondContact O-N 3.13Å; F168-T172 PolarHBondContact O-OG1 3.3Å
169	E	60.5	Low	61.5	Low	69 Å²	69	69.6 Å²	69.6	32%	0.322	38%	0.383	S	S	.	.	H	α-helix	trans	-65.8	-43	173	-80.9	-169.8	-162	0	0	111.8	A165 L166 T172 R173	A165-E169 WeakPolarHBondContact O-CB 3.4Å; A165-E169 WeakPolarHBondContact O-CG 3.37Å; A165-E169 PolarHBondContact O-N 2.86Å; L166-E169 CarbonylContact O-C 3.57Å; L166-E169 PolarHBondContact O-N 2.94Å; E169-T172 WeakPolarHBondContact CA-OG1 3.43Å; E169-T172 CarbonylContact O-C 3.45Å; E169-T172 PolarHBondContact O-N 2.83Å; E169-T172 VanDerWaalsContact O-N 3.11Å; E169-T172 PolarHBondContact O-OG1 3.02Å; E169-R173 WeakPolarHBondContact O-CA 3.46Å; E169-R173 WeakPolarHBondContact O-CB 3.28Å; E169-R173 WeakPolarHBondContact O-CG 3.25Å; E169-R173 PolarHBondContact O-N 3.07Å; E169-R173 IonicContact OE2-CZ 3.34Å; E169-R173 IonicContact OE2-NH1 3.47Å; E169-R173 PolarHBondContact OE2-NH1 3.03Å; E169-R173 IonicContact OE2-NH2 2.71Å; E169-R173 PolarHBondContact OE2-NH2 3.24Å; E169-R173 VanDerWaalsContact OE2-NH2 3.1Å
170	H	54.4	Low	58.8	Low	92 Å²	92	76.2 Å²	76.2	43%	0.426	42%	0.418	S	S	.	.	H	α-helix	trans	-67.9	-40.6	174.2	-85.8	-79.9	0	0	0	110.5	L166 T172 R173 C174 L315	L166-H170 WeakPolarHBondContact O-CB 3.18Å; L166-H170 PolarHBondContact O-CD2 3.24Å; L166-H170 PolarHBondContact O-N 3.37Å; H170-T172 PolarHBondContact O-N 2.76Å; H170-T172 VanDerWaalsContact O-N 3.17Å; H170-R173 PolarHBondContact O-N 3.2Å; H170-C174 WeakPolarHBondContact O-CB 3.29Å; H170-C174 PolarHBondContact O-N 2.78Å; H170-L315 VanDerWaalsContact C-CD1 3.46Å; H170-L315 HydrophobicContact CB-CD1 4.38Å; H170-L315 WeakPolarHBondContact O-CD1 3.45Å
171	A	49.9	Very low	56.1	Low	31 Å²	31	83.8 Å²	83.8	26%	0.256	45%	0.454	S	S	.	.	H	α-helix	trans	-60	-24.6	172	0	0	0	0	0	111.5	R167 F168 K291 L315	R167-A171 WeakPolarHBondContact O-CB 3.2Å; R167-A171 PolarHBondContact O-N 2.86Å; F168-A171 CarbonylContact O-C 3.57Å; F168-A171 PolarHBondContact O-N 3.25Å; A171-K291 VanDerWaalsContact O-CD 3.29Å; A171-K291 WeakPolarHBondContact O-CD 3.42Å; A171-K291 WeakPolarHBondContact O-CE 3.34Å; A171-K291 PolarHBondContact O-NZ 2.84Å; A171-L315 HydrophobicContact CB-CD1 4.4Å; A171-L315 HydrophobicContact CB-CD2 4.41Å
172	T	43.6	Very low	53.4	Low	62 Å²	62	91.4 Å²	91.4	38%	0.38	47%	0.473	S	S	.	.	H	α-helix	trans	-98	-33.3	176.4	50.9	0	0	0	0	114.4	F168 E169 H170 K291	F168-T172 HydrophobicContact CD1-CG2 4.35Å; F168-T172 HydrophobicContact CE1-CG2 4.13Å; F168-T172 WeakPolarHBondContact O-CB 3.39Å; F168-T172 VanDerWaalsContact O-CG2 3.29Å; F168-T172 WeakPolarHBondContact O-CG2 3.42Å; F168-T172 PolarHBondContact O-N 3.13Å; F168-T172 PolarHBondContact O-OG1 3.3Å; E169-T172 WeakPolarHBondContact CA-OG1 3.43Å; E169-T172 CarbonylContact O-C 3.45Å; E169-T172 PolarHBondContact O-N 2.83Å; E169-T172 VanDerWaalsContact O-N 3.11Å; E169-T172 PolarHBondContact O-OG1 3.02Å; H170-T172 PolarHBondContact O-N 2.76Å; H170-T172 VanDerWaalsContact O-N 3.17Å; T172-K291 VanDerWaalsContact CA-NZ 3.32Å; T172-K291 WeakPolarHBondContact O-CE 3.49Å; T172-K291 PolarHBondContact O-NZ 2.78Å
173	R	46	Very low	51.1	Low	164 Å²	164	94.6 Å²	94.6	62%	0.619	49%	0.49	S	S	*	.	H	α-helix	trans	-91.6	-16.6	-176.1	-75.9	-172.6	-175.7	148.2	14.3	115.1	E169 H170 S175 P176	E169-R173 WeakPolarHBondContact O-CA 3.46Å; E169-R173 WeakPolarHBondContact O-CB 3.28Å; E169-R173 WeakPolarHBondContact O-CG 3.25Å; E169-R173 PolarHBondContact O-N 3.07Å; E169-R173 IonicContact OE2-CZ 3.34Å; E169-R173 IonicContact OE2-NH1 3.47Å; E169-R173 PolarHBondContact OE2-NH1 3.03Å; E169-R173 IonicContact OE2-NH2 2.71Å; E169-R173 PolarHBondContact OE2-NH2 3.24Å; E169-R173 VanDerWaalsContact OE2-NH2 3.1Å; H170-R173 PolarHBondContact O-N 3.2Å; R173-S175 PolarHBondContact O-N 3.46Å; R173-P176 WeakPolarHBondContact O-CD 3.38Å
174	C	35.4	Very low	48.6	Very low	77 Å²	77	99.7 Å²	99.7	52%	0.52	53%	0.526	S	S	.	.	S	Bend	trans	-77.2	30.1	171	-72	0	0	0	0	113.1	H170 L315	H170-C174 WeakPolarHBondContact O-CB 3.29Å; H170-C174 PolarHBondContact O-N 2.78Å; C174-L315 HydrophobicContact CB-CD1 4.08Å
175	S	35.1	Very low	46.1	Very low	42 Å²	42	107.2 Å²	107.2	29%	0.294	55%	0.553	S	S	.	*			trans	-124.1	43.9	172.1	-158.5	0	0	0	0	111.5	R173 D292	R173-S175 PolarHBondContact O-N 3.46Å; S175-D292 PolarHBondContact OG-OD2 2.92Å
176	P	28.2	Very low	43.7	Very low	109 Å²	109	109.2 Å²	109.2	71%	0.708	56%	0.564	S	S	*	*	S	Bend	trans	-142.3	85.8	138.7	34	-17.4	0	0	0	111	R173	R173-P176 WeakPolarHBondContact O-CD 3.38Å
177	A	33.5	Very low	41.6	Very low	90 Å²	90	114 Å²	114	74%	0.744	60%	0.597	S	S	*	*	S	Bend	trans	-148.6	6.9	160.7	0	0	0	0	0	113
178	I	39.2	Very low	39.6	Very low	130 Å²	130	120.2 Å²	120.2	67%	0.667	63%	0.628	S	S	*	*	S	Bend	trans	-120.7	62.6	173	-48.4	-177.2	0	0	0	107.9
179	M	34.9	Very low	38	Very low	144 Å²	144	118.8 Å²	118.8	71%	0.709	64%	0.637	S	S	*	*	S	Bend	trans	-137.9	-24.6	161.2	-86.9	-171	-127.7	0	0	112.2	I183	M179-I183 WeakPolarHBondContact O-CG1 3.35Å
180	D	34.9	Very low	36.6	Very low	143 Å²	143	120.5 Å²	120.5	77%	0.765	66%	0.656	S	S	*	*	H	α-helix	trans	-75.5	-26.6	178.8	-78.1	-28	0	0	0	114.5
181	E	37.2	Very low	35.6	Very low	160 Å²	160	123.6 Å²	123.6	75%	0.748	68%	0.675	S	S	*	*	H	α-helix	trans	-85.3	-13	178.4	-142.1	179.3	171.7	0	0	113.5
182	Y	35.1	Very low	35	Very low	197 Å²	197	130.2 Å²	130.2	77%	0.773	70%	0.7	S	S	*	*	H	α-helix	trans	-94	-21.3	179.3	-148.6	-100.7	0	0	0	113
183	I	36.7	Very low	34.6	Very low	128 Å²	128	133.8 Å²	133.8	66%	0.656	72%	0.722	S	S	*	*	H	α-helix	trans	-81.1	-22.3	177.7	-64.8	173	0	0	0	111.9	M179 R185	M179-I183 WeakPolarHBondContact O-CG1 3.35Å; I183-R185 VanDerWaalsContact C-N 3.33Å; I183-R185 PolarHBondContact O-N 3.21Å
184	S	36.5	Very low	33.9	Very low	108 Å²	108	129.1 Å²	129.1	76%	0.755	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	2	177.4	-79	0	0	0	0	115.5
185	R	32.7	Very low	34	Very low	214 Å²	214	137.1 Å²	137.1	81%	0.808	74%	0.744	S	S	*	*			trans	-130.4	63.9	178.8	-66.8	-173	-176.1	-149.4	3.6	112	I183	I183-R185 VanDerWaalsContact C-N 3.33Å; I183-R185 PolarHBondContact O-N 3.21Å
186	S	28.3	Very low	33.9	Very low	92 Å²	92	139.9 Å²	139.9	64%	0.643	76%	0.763	S	S	*	*			trans	-130.8	118.7	160	52.8	0	0	0	0	110
187	P	33.3	Very low	34.2	Very low	131 Å²	131	145.6 Å²	145.6	85%	0.851	77%	0.771	S	S	*	*			trans	-71.8	125.5	167.3	-11.1	26.8	0	0	0	109.2
188	Q	29.7	Very low	34.2	Very low	193 Å²	193	148.6 Å²	148.6	90%	0.902	77%	0.774	S	S	*	*			trans	-63.4	134	170.5	-69.2	-177.6	-28.1	0	0	110.8
189	S	33.3	Very low	33.8	Very low	119 Å²	119	151 Å²	151	83%	0.832	78%	0.784	S	S	*	*			trans	-140.4	125.2	145.7	61.2	0	0	0	0	110.2
190	S	31	Very low	33.6	Very low	104 Å²	104	148.1 Å²	148.1	73%	0.727	79%	0.791	S	S	*	*			trans	-59.7	154.7	180	50	0	0	0	0	113.9
191	L	34	Very low	33.3	Very low	157 Å²	157	148.2 Å²	148.2	82%	0.822	80%	0.796	S	S	*	*				164.8	100.7	126.9	-82.9	160.2	0	0	0	107.8
192	H	36.4	Very low	33	Very low	170 Å²	170	146.4 Å²	146.4	79%	0.787	80%	0.801	S	S	*	*				83.9	124.3	88.8	-119.8	-51.5	0	0	0	115.8
193	V	34.7	Very low	32.5	Very low	138 Å²	138	145.5 Å²	145.5	84%	0.836	80%	0.804	S	S	*	*			trans	78.2	129.8	155.7	-166.1	0	0	0	0	116.4
194	G	32	Very low	32.4	Very low	65 Å²	65	146.2 Å²	146.2	67%	0.67	81%	0.814	S	S	*	*			cis	176.2	158	-0.2	0	0	0	0	0	110.1
195	R	36.7	Very low	31.9	Very low	245 Å²	245	146.2 Å²	146.2	93%	0.925	81%	0.812	S	S	*	*			trans	28.2	145.5	146.4	-74.5	179.3	153.7	166.1	-5.5	119.4
196	S	33.2	Very low	31.6	Very low	100 Å²	100	143.9 Å²	143.9	70%	0.699	81%	0.814	S	S	*	*			cis	178.7	157.5	1	-101.7	0	0	0	0	106.6
197	R	34.6	Very low	31.7	Very low	229 Å²	229	146.2 Å²	146.2	86%	0.864	83%	0.825	S	S	*	*			trans	121.4	89.3	132.5	-157.2	175.8	-71	-129.2	1.7	117.2
198	L	33.5	Very low	31.5	Very low	154 Å²	154	146.5 Å²	146.5	81%	0.806	82%	0.819	S	S	*	*				36.7	122.7	112.8	-96.5	163.6	0	0	0	120.6
199	M	31.5	Very low	31.5	Very low	181 Å²	181	146.6 Å²	146.6	89%	0.892	82%	0.817	S	S	*	*				142.9	133.9	117.9	-79.2	-89.7	-91.2	0	0	113.2
200	G	31.2	Very low	31.1	Very low	82 Å²	82	149.9 Å²	149.9	85%	0.845	82%	0.819	S	S	*	*			trans	151.8	80.1	160.4	0	0	0	0	0	115.5
201	V	27.3	Very low	31	Very low	146 Å²	146	150.8 Å²	150.8	89%	0.885	82%	0.82	S	S	*	*			trans	-79.9	142.1	166.1	-95.5	0	0	0	0	110.8
202	S	30.4	Very low	30.8	Very low	121 Å²	121	150.7 Å²	150.7	85%	0.846	82%	0.819	S	S	*	*			trans	-162.8	121.9	138.7	-155.5	0	0	0	0	111.4
203	E	26.3	Very low	30.6	Very low	178 Å²	178	148 Å²	148	83%	0.832	82%	0.817	S	S	*	*			trans	-73.9	148.2	170.6	-61.3	164	122.8	0	0	111.7
204	V	32.8	Very low	30.4	Very low	143 Å²	143	146 Å²	146	87%	0.867	81%	0.808	S	S	*	*			trans	-171.6	161.3	133.7	-114.5	0	0	0	0	111
205	P	27.6	Very low	31	Very low	109 Å²	109	148 Å²	148	71%	0.708	81%	0.812	S	S	*	*				-125.2	-177	-123.1	28.2	-2.8	0	0	0	115.6
206	L	25.7	Very low	31.2	Very low	165 Å²	165	142.3 Å²	142.3	86%	0.864	80%	0.8	S	S	*	*			trans	-27.7	133.3	174.7	-66.2	113.6	0	0	0	117.6
207	T	30.9	Very low	31.5	Very low	140 Å²	140	140.1 Å²	140.1	86%	0.859	79%	0.788	S	S	*	*			trans	-163.1	109.4	132.9	6	0	0	0	0	113.3
208	N	27.8	Very low	31.6	Very low	138 Å²	138	135.6 Å²	135.6	74%	0.738	77%	0.772	S	S	*	*			trans	31.3	117.6	132.4	-146.2	17.5	0	0	0	120.3
209	K	30.4	Very low	32.2	Very low	195 Å²	195	134.8 Å²	134.8	85%	0.848	76%	0.764	S	S	*	*				-170.4	113.2	121.4	-103.2	172.2	-172.7	-170.6	0	110.7	T211	K209-T211 PolarHBondContact O-N 3.2Å
210	Q	25.1	Very low	33.4	Very low	187 Å²	187	131.7 Å²	131.7	87%	0.874	75%	0.751	S	S	*	*			trans	-61.9	122.4	165.4	-70.1	169.4	-14.1	0	0	109.2
211	T	28.8	Very low	34.6	Very low	124 Å²	124	131.1 Å²	131.1	76%	0.761	73%	0.726	S	S	*	*			trans	-128.5	116.6	166	-47.4	0	0	0	0	107.6	K209	K209-T211 PolarHBondContact O-N 3.2Å
212	I	31	Very low	36.1	Very low	155 Å²	155	125.3 Å²	125.3	80%	0.795	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-65.4	123.1	177.5	-56	158.5	0	0	0	107.7	S214	I212-S214 PolarHBondContact O-N 3.45Å
213	P	32.1	Very low	37.6	Very low	113 Å²	113	122.7 Å²	122.7	73%	0.734	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-78.9	116.1	174.4	-0.3	16.7	0	0	0	109.8
214	S	30.4	Very low	39.7	Very low	95 Å²	95	117.7 Å²	117.7	66%	0.664	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-57.3	151.4	171.1	-47.3	0	0	0	0	112	I212 N216 A217	I212-S214 PolarHBondContact O-N 3.45Å; S214-N216 PolarHBondContact O-N 2.88Å; S214-A217 PolarHBondContact O-N 2.77Å
215	S	43.8	Very low	41.7	Very low	107 Å²	107	111 Å²	111	75%	0.748	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	2.4	-173.9	55.2	0	0	0	0	118.5
216	N	41.4	Very low	44.3	Very low	127 Å²	127	108 Å²	108	68%	0.679	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-15.6	179.6	-74.9	-3.7	0	0	0	114.2	S214 Y218 H219	S214-N216 PolarHBondContact O-N 2.88Å; N216-Y218 PolarHBondContact O-N 2.93Å; N216-H219 PolarHBondContact O-N 3.08Å
217	A	38.2	Very low	47	Very low	54 Å²	54	103.1 Å²	103.1	45%	0.446	58%	0.578	S	S	.	*	H	α-helix	trans	-63.6	-27.5	-177.3	0	0	0	0	0	113.8	S214 H219 D220 Q221	S214-A217 PolarHBondContact O-N 2.77Å; A217-H219 VanDerWaalsContact C-N 3.31Å; A217-H219 PolarHBondContact O-N 3.1Å; A217-D220 PolarHBondContact O-N 3.21Å; A217-Q221 PolarHBondContact O-N 3.12Å
218	Y	38	Very low	49.5	Very low	134 Å²	134	99.2 Å²	99.2	53%	0.525	55%	0.554	S	S	.	*	H	α-helix	trans	-64.1	-34	179.5	-80	-89.7	0	0	0	113.1	N216 D285	N216-Y218 PolarHBondContact O-N 2.93Å; Y218-D285 VanDerWaalsContact CE1-C 3.44Å; Y218-D285 WeakPolarHBondContact CE1-O 3.44Å; Y218-D285 WeakPolarHBondContact OH-CA 3.45Å; Y218-D285 PolarHBondContact OH-O 3.07Å
219	H	46.6	Very low	52.4	Low	136 Å²	136	92.7 Å²	92.7	63%	0.63	52%	0.519	S	S	*	.	H	α-helix	trans	-75.8	-37.8	-178.4	-158.2	-14.9	0	0	0	111.4	N216 A217 A222 T223	N216-H219 PolarHBondContact O-N 3.08Å; A217-H219 VanDerWaalsContact C-N 3.31Å; A217-H219 PolarHBondContact O-N 3.1Å; H219-A222 PolarHBondContact O-N 2.82Å; H219-T223 PolarHBondContact O-N 3.18Å; H219-T223 VanDerWaalsContact O-N 3.16Å; H219-T223 PolarHBondContact O-OG1 3.08Å
220	D	54.7	Low	55.2	Low	116 Å²	116	88.1 Å²	88.1	62%	0.62	50%	0.499	S	S	*	.	H	α-helix	trans	-68	-36.1	-174.9	-84.3	-20.6	0	0	0	113.5	A217 T223 S224	A217-D220 PolarHBondContact O-N 3.21Å; D220-T223 WeakPolarHBondContact CA-OG1 3.46Å; D220-T223 PolarHBondContact O-OG1 3.48Å; D220-T223 VanDerWaalsContact O-OG1 3.05Å; D220-S224 WeakPolarHBondContact O-CB 3.33Å; D220-S224 PolarHBondContact O-N 3.23Å
221	Q	58.3	Low	58.2	Low	71 Å²	71	85.6 Å²	85.6	33%	0.332	49%	0.492	S	S	.	.	H	α-helix	trans	-75.3	-35.3	-179.6	-163.8	161.4	13.2	0	0	112.1	A217 S224 N225	A217-Q221 PolarHBondContact O-N 3.12Å; Q221-S224 PolarHBondContact O-N 2.9Å; Q221-N225 WeakPolarHBondContact O-CB 3.28Å; Q221-N225 PolarHBondContact O-N 3.05Å; Q221-N225 PolarHBondContact O-ND2 3.49Å
222	A	58.1	Low	61.3	Low	23 Å²	23	81.6 Å²	81.6	19%	0.19	46%	0.464	C	S	.	.	H	α-helix	trans	-67.9	-41.5	175.8	0	0	0	0	0	112	H219 L226	H219-A222 PolarHBondContact O-N 2.82Å; A222-L226 PolarHBondContact O-N 3.32Å; A222-L226 VanDerWaalsContact O-N 3.13Å
223	T	61.5	Low	64.2	Low	67 Å²	67	77.5 Å²	77.5	41%	0.411	45%	0.448	S	S	.	.	H	α-helix	trans	-66.5	-40.8	173.9	36.1	0	0	0	0	111.9	H219 D220 L226 A227	H219-T223 PolarHBondContact O-N 3.18Å; H219-T223 VanDerWaalsContact O-N 3.16Å; H219-T223 PolarHBondContact O-OG1 3.08Å; D220-T223 WeakPolarHBondContact CA-OG1 3.46Å; D220-T223 PolarHBondContact O-OG1 3.48Å; D220-T223 VanDerWaalsContact O-OG1 3.05Å; T223-L226 PolarHBondContact O-N 3.18Å; T223-A227 PolarHBondContact O-N 2.94Å
224	S	70.6	Confident	67.2	Low	72 Å²	72	72.2 Å²	72.2	50%	0.503	41%	0.413	S	S	.	.	H	α-helix	trans	-59.5	-49.1	175.2	-178.4	0	0	0	0	112.1	D220 Q221 L226 A227 T228	D220-S224 WeakPolarHBondContact O-CB 3.33Å; D220-S224 PolarHBondContact O-N 3.23Å; Q221-S224 PolarHBondContact O-N 2.9Å; S224-L226 VanDerWaalsContact C-N 3.32Å; S224-L226 PolarHBondContact O-N 3.38Å; S224-A227 PolarHBondContact O-N 2.84Å; S224-T228 PolarHBondContact O-N 3.05Å
225	N	74.2	Confident	70.4	Confident	4 Å²	4	67.7 Å²	67.7	2%	0.021	38%	0.382	C	S	.	.	H	α-helix	trans	-58.2	-43.3	176.7	-83.5	-68.4	0	0	0	112.1	Q221 A227 T228 L229 F266 N297 V298	Q221-N225 WeakPolarHBondContact O-CB 3.28Å; Q221-N225 PolarHBondContact O-N 3.05Å; Q221-N225 PolarHBondContact O-ND2 3.49Å; N225-A227 VanDerWaalsContact C-N 3.31Å; N225-A227 PolarHBondContact O-N 2.92Å; N225-T228 PolarHBondContact O-N 3.44Å; N225-L229 HydrophobicContact CB-CD1 4.42Å; N225-L229 WeakPolarHBondContact O-CB 3.34Å; N225-L229 WeakPolarHBondContact O-CD1 3.48Å; N225-L229 WeakPolarHBondContact O-CG 3.25Å; N225-L229 PolarHBondContact O-N 3.12Å; N225-F266 HydrophobicContact CB-CE2 3.84Å; N225-F266 HydrophobicContact CB-CZ 4.26Å; N225-N297 VanDerWaalsContact OD1-CA 3.28Å; N225-N297 WeakPolarHBondContact OD1-CA 3.42Å; N225-N297 WeakPolarHBondContact OD1-CB 3.28Å; N225-V298 PolarHBondContact OD1-N 3.09Å; N225-V298 VanDerWaalsContact OD1-N 3.09Å
226	L	83.4	Confident	72.8	Confident	45 Å²	45	63.5 Å²	63.5	24%	0.236	35%	0.35	C	S	.	.	H	α-helix	trans	-62.3	-38.1	-177.9	-176.7	60.6	0	0	0	112.5	A222 T223 S224 L229 K230 F235 F266	A222-L226 PolarHBondContact O-N 3.32Å; A222-L226 VanDerWaalsContact O-N 3.13Å; T223-L226 PolarHBondContact O-N 3.18Å; S224-L226 VanDerWaalsContact C-N 3.32Å; S224-L226 PolarHBondContact O-N 3.38Å; L226-L229 PolarHBondContact O-N 3.39Å; L226-K230 WeakPolarHBondContact O-CG 3.47Å; L226-K230 PolarHBondContact O-N 2.91Å; L226-K230 VanDerWaalsContact O-N 3.13Å; L226-F235 HydrophobicContact CD1-CE1 3.98Å; L226-F235 HydrophobicContact CD1-CZ 3.8Å; L226-F266 HydrophobicContact CB-CZ 4.39Å; L226-F266 HydrophobicContact CD1-CE1 4.39Å
227	A	81	Confident	75.3	Confident	63 Å²	63	57.5 Å²	57.5	52%	0.521	32%	0.319	S	S	.	.	H	α-helix	trans	-63.1	-44.7	178.8	0	0	0	0	0	111.8	T223 S224 N225	T223-A227 PolarHBondContact O-N 2.94Å; S224-A227 PolarHBondContact O-N 2.84Å; N225-A227 VanDerWaalsContact C-N 3.31Å; N225-A227 PolarHBondContact O-N 2.92Å
228	T	83.5	Confident	77.9	Confident	58 Å²	58	62.3 Å²	62.3	36%	0.356	33%	0.329	S	S	.	.	H	α-helix	trans	-66.8	-44.7	176.9	-50.7	0	0	0	0	111.4	S224 N225 K230 N231	S224-T228 PolarHBondContact O-N 3.05Å; N225-T228 PolarHBondContact O-N 3.44Å; T228-K230 VanDerWaalsContact C-N 3.3Å; T228-K230 PolarHBondContact O-N 2.86Å; T228-N231 PolarHBondContact O-N 3.05Å
229	L	90.2	Very high	80.5	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-64.5	-31.3	-176.1	-73.9	172.1	0	0	0	113.6	N225 L226 N231 E232 W234 F235 F266 V298	N225-L229 HydrophobicContact CB-CD1 4.42Å; N225-L229 WeakPolarHBondContact O-CB 3.34Å; N225-L229 WeakPolarHBondContact O-CD1 3.48Å; N225-L229 WeakPolarHBondContact O-CG 3.25Å; N225-L229 PolarHBondContact O-N 3.12Å; L226-L229 PolarHBondContact O-N 3.39Å; L229-N231 PolarHBondContact O-N 3.29Å; L229-E232 WeakPolarHBondContact O-CB 3.23Å; L229-E232 PolarHBondContact O-N 3.03Å; L229-W234 HydrophobicContact CD2-CH2 3.44Å; L229-W234 VanDerWaalsContact CD2-CH2 3.44Å; L229-W234 HydrophobicContact CD2-CZ3 3.59Å; L229-F235 VanDerWaalsContact C-CD1 3.44Å; L229-F235 HydrophobicContact CB-CB 4.44Å; L229-F235 HydrophobicContact CB-CD1 3.73Å; L229-F235 HydrophobicContact CB-CD2 4.08Å; L229-F235 HydrophobicContact CB-CE1 3.86Å; L229-F235 HydrophobicContact CB-CE2 4.22Å; L229-F235 HydrophobicContact CB-CG 3.83Å; L229-F235 HydrophobicContact CB-CZ 4.09Å; L229-F235 HydrophobicContact CD1-CD2 4.35Å; L229-F235 HydrophobicContact CD1-CE2 4.13Å; L229-F235 HydrophobicContact CD1-CZ 4.44Å; L229-F235 HydrophobicContact CD2-CD2 4.44Å; L229-F235 VanDerWaalsContact O-CB 3.31Å; L229-F235 WeakPolarHBondContact O-CB 3.32Å; L229-F235 WeakPolarHBondContact O-CD1 3.45Å; L229-F235 WeakPolarHBondContact O-CG 3.33Å; L229-F266 HydrophobicContact CD1-CD1 3.67Å; L229-F266 HydrophobicContact CD1-CD2 4.25Å; L229-F266 HydrophobicContact CD1-CE1 3.34Å; L229-F266 HydrophobicContact CD1-CE2 4Å; L229-F266 HydrophobicContact CD1-CG 4.11Å; L229-F266 HydrophobicContact CD1-CZ 3.53Å; L229-V298 HydrophobicContact CD1-CB 4.07Å; L229-V298 HydrophobicContact CD1-CG1 4.28Å; L229-V298 HydrophobicContact CD1-CG2 4.31Å; L229-V298 HydrophobicContact CD2-CB 3.92Å; L229-V298 HydrophobicContact CD2-CG1 3.73Å; L229-V298 HydrophobicContact CG-CB 4.36Å
230	K	88.5	Confident	82.7	Confident	99 Å²	99	51.6 Å²	51.6	43%	0.43	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-18.7	176.6	-81.7	-179	179	-167.4	0	113.6	L226 T228 R327 L331	L226-K230 WeakPolarHBondContact O-CG 3.47Å; L226-K230 PolarHBondContact O-N 2.91Å; L226-K230 VanDerWaalsContact O-N 3.13Å; T228-K230 VanDerWaalsContact C-N 3.3Å; T228-K230 PolarHBondContact O-N 2.86Å; K230-R327 PolarHBondContact O-NH1 3.18Å; K230-R327 PolarHBondContact O-NH2 2.75Å; K230-L331 HydrophobicContact CG-CD1 4.36Å
231	N	88.2	Confident	84.4	Confident	134 Å²	134	52.2 Å²	52.2	72%	0.717	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-9.6	176.9	-63	-35.2	0	0	0	113.6	T228 L229	T228-N231 PolarHBondContact O-N 3.05Å; L229-N231 PolarHBondContact O-N 3.29Å
232	E	93.3	Very high	86.1	Confident	40 Å²	40	53.6 Å²	53.6	19%	0.187	29%	0.288	C	S	.	.			trans	-82.7	130.5	-176.4	-65.7	-66.3	164.7	0	0	111.5	L229 W234 F235 T299 R327	L229-E232 WeakPolarHBondContact O-CB 3.23Å; L229-E232 PolarHBondContact O-N 3.03Å; E232-W234 VanDerWaalsContact C-N 3.27Å; E232-W234 HydrophobicContact CB-CD2 3.94Å; E232-W234 HydrophobicContact CB-CE3 4.31Å; E232-W234 HydrophobicContact CB-CG 4.49Å; E232-W234 HydrophobicContact CB-CH2 4.06Å; E232-W234 HydrophobicContact CB-CZ2 3.66Å; E232-W234 HydrophobicContact CB-CZ3 4.35Å; E232-W234 VanDerWaalsContact CD-CZ2 3.46Å; E232-W234 HydrophobicContact CG-CH2 3.82Å; E232-W234 HydrophobicContact CG-CZ2 3.36Å; E232-W234 PolarHBondContact O-N 2.9Å; E232-W234 VanDerWaalsContact OE2-CE2 3.31Å; E232-W234 WeakPolarHBondContact OE2-CZ2 3.47Å; E232-W234 PolarHBondContact OE2-NE1 2.94Å; E232-F235 HydrophobicContact CB-CB 4.01Å; E232-F235 PolarHBondContact O-N 3.02Å; E232-F235 VanDerWaalsContact O-N 3.17Å; E232-T299 WeakPolarHBondContact OE1-CG2 3.48Å; E232-T299 PolarHBondContact OE1-OG1 2.83Å; E232-R327 PolarHBondContact O-NH1 2.8Å
233	P	92.8	Very high	87.7	Confident	69 Å²	69	56.6 Å²	56.6	45%	0.448	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-29.5	-178.1	26.6	-33.5	0	0	0	112	F235 P326 R327	P233-F235 VanDerWaalsContact C-N 3.25Å; P233-F235 PolarHBondContact O-N 2.98Å; P233-P326 CarbonylContact O-C 3.53Å; P233-P326 WeakPolarHBondContact O-CA 3.49Å; P233-R327 PolarHBondContact O-N 2.97Å
234	W	95.1	Very high	89.2	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.008	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	0.9	177.9	45.5	-93.2	0	0	0	113.6	L229 E232 H236 F254 L255 V256 V298 I302 A324	L229-W234 HydrophobicContact CD2-CH2 3.44Å; L229-W234 VanDerWaalsContact CD2-CH2 3.44Å; L229-W234 HydrophobicContact CD2-CZ3 3.59Å; E232-W234 VanDerWaalsContact C-N 3.27Å; E232-W234 HydrophobicContact CB-CD2 3.94Å; E232-W234 HydrophobicContact CB-CE3 4.31Å; E232-W234 HydrophobicContact CB-CG 4.49Å; E232-W234 HydrophobicContact CB-CH2 4.06Å; E232-W234 HydrophobicContact CB-CZ2 3.66Å; E232-W234 HydrophobicContact CB-CZ3 4.35Å; E232-W234 VanDerWaalsContact CD-CZ2 3.46Å; E232-W234 HydrophobicContact CG-CH2 3.82Å; E232-W234 HydrophobicContact CG-CZ2 3.36Å; E232-W234 PolarHBondContact O-N 2.9Å; E232-W234 VanDerWaalsContact OE2-CE2 3.31Å; E232-W234 WeakPolarHBondContact OE2-CZ2 3.47Å; E232-W234 PolarHBondContact OE2-NE1 2.94Å; W234-H236 PolarHBondContact O-CD2 3.26Å; W234-F254 HydrophobicContact CB-CE2 3.96Å; W234-F254 HydrophobicContact CB-CZ 4.39Å; W234-F254 HydrophobicContact CD2-CE2 4.29Å; W234-F254 AromaticContact CG-CE2 3.99Å; W234-F254 HydrophobicContact CG-CE2 3.99Å; W234-F254 HydrophobicContact CG-CZ 4.36Å; W234-L255 WeakPolarHBondContact O-CA 3.48Å; W234-V256 HydrophobicContact CE3-CB 3.73Å; W234-V256 HydrophobicContact CE3-CG2 3.56Å; W234-V256 HydrophobicContact CZ3-CB 3.69Å; W234-V256 HydrophobicContact CZ3-CG1 4.35Å; W234-V256 HydrophobicContact CZ3-CG2 3.48Å; W234-V256 VanDerWaalsContact CZ3-CG2 3.48Å; W234-V256 PolarHBondContact O-N 3.05Å; W234-V298 HydrophobicContact CH2-CG1 4.29Å; W234-V298 HydrophobicContact CZ3-CG1 4.3Å; W234-I302 HydrophobicContact CD2-CG2 4.29Å; W234-I302 HydrophobicContact CE3-CG1 4.43Å; W234-I302 HydrophobicContact CH2-CB 4.07Å; W234-I302 HydrophobicContact CH2-CG1 3.75Å; W234-I302 HydrophobicContact CH2-CG2 4.37Å; W234-I302 HydrophobicContact CZ2-CB 4.01Å; W234-I302 HydrophobicContact CZ2-CG1 4.2Å; W234-I302 HydrophobicContact CZ2-CG2 3.97Å; W234-I302 HydrophobicContact CZ3-CG1 3.9Å; W234-A324 HydrophobicContact CB-CB 3.9Å; W234-A324 HydrophobicContact CG-CB 4.35Å
235	F	96.4	Very high	90.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-98.8	117.5	177.4	179.1	-115	0	0	0	111.7	L226 L229 E232 P233 V256 Q258 F266 R327 L331	L226-F235 HydrophobicContact CD1-CE1 3.98Å; L226-F235 HydrophobicContact CD1-CZ 3.8Å; L229-F235 VanDerWaalsContact C-CD1 3.44Å; L229-F235 HydrophobicContact CB-CB 4.44Å; L229-F235 HydrophobicContact CB-CD1 3.73Å; L229-F235 HydrophobicContact CB-CD2 4.08Å; L229-F235 HydrophobicContact CB-CE1 3.86Å; L229-F235 HydrophobicContact CB-CE2 4.22Å; L229-F235 HydrophobicContact CB-CG 3.83Å; L229-F235 HydrophobicContact CB-CZ 4.09Å; L229-F235 HydrophobicContact CD1-CD2 4.35Å; L229-F235 HydrophobicContact CD1-CE2 4.13Å; L229-F235 HydrophobicContact CD1-CZ 4.44Å; L229-F235 HydrophobicContact CD2-CD2 4.44Å; L229-F235 VanDerWaalsContact O-CB 3.31Å; L229-F235 WeakPolarHBondContact O-CB 3.32Å; L229-F235 WeakPolarHBondContact O-CD1 3.45Å; L229-F235 WeakPolarHBondContact O-CG 3.33Å; E232-F235 HydrophobicContact CB-CB 4.01Å; E232-F235 PolarHBondContact O-N 3.02Å; E232-F235 VanDerWaalsContact O-N 3.17Å; P233-F235 VanDerWaalsContact C-N 3.25Å; P233-F235 PolarHBondContact O-N 2.98Å; F235-V256 WeakPolarHBondContact CA-O 2.95Å; F235-V256 HydrophobicContact CD2-CB 4.24Å; F235-V256 HydrophobicContact CD2-CG1 4.03Å; F235-V256 WeakPolarHBondContact CD2-O 3.38Å; F235-V256 HydrophobicContact CE2-CG1 4.44Å; F235-Q258 HydrophobicContact CE2-CG 4.24Å; F235-Q258 HydrophobicContact CZ-CG 3.95Å; F235-F266 AromaticContact CE2-CD1 3.82Å; F235-F266 HydrophobicContact CE2-CD1 3.82Å; F235-F266 AromaticContact CE2-CE1 3.78Å; F235-F266 HydrophobicContact CE2-CE1 3.78Å; F235-F266 HydrophobicContact CZ-CD1 4.39Å; F235-F266 AromaticContact CZ-CE1 3.89Å; F235-F266 HydrophobicContact CZ-CE1 3.89Å; F235-R327 WeakPolarHBondContact O-CD 3.47Å; F235-L331 HydrophobicContact CD1-CD1 3.28Å; F235-L331 HydrophobicContact CE1-CD1 3.36Å; F235-L331 HydrophobicContact CG-CD1 4.39Å
236	H	95.1	Very high	91.3	Very high	18 Å²	18	60.9 Å²	60.9	8%	0.083	30%	0.297	C	S	.	.			trans	-102.4	2.8	-172.1	-71.5	-121.5	0	0	0	113.8	W234 I239 V256 V325 R327	W234-H236 PolarHBondContact O-CD2 3.26Å; H236-I239 HydrophobicContact CB-CD1 3.6Å; H236-I239 HydrophobicContact CB-CG1 4Å; H236-I239 HydrophobicContact CB-CG2 4.33Å; H236-V256 PolarHBondContact N-O 3Å; H236-V325 PolarHBondContact NE2-O 3.24Å; H236-R327 PolarHBondContact NE2-N 3.21Å
237	G	93.6	Very high	91.8	Very high	2 Å²	2	61.2 Å²	61.2	2%	0.021	30%	0.299	C	S	.	.			trans	66.6	-137.4	-179.2	0	0	0	0	0	112.6	I239 R257 Q258	G237-I239 PolarHBondContact O-N 3.03Å; G237-R257 CarbonylContact O-C 3.45Å; G237-R257 WeakPolarHBondContact O-CA 3.36Å; G237-R257 WeakPolarHBondContact O-CB 3.38Å; G237-Q258 PolarHBondContact O-N 2.99Å
238	K	92.3	Very high	92.4	Very high	155 Å²	155	58.2 Å²	58.2	67%	0.674	27%	0.274	S	S	*	.	S	Bend	trans	-90.3	76.7	-173.1	-69.9	-176.1	179.1	-178.3	0	111.7	Q258 L260	K238-Q258 HydrophobicContact CG-CB 3.96Å; K238-Q258 HydrophobicContact CG-CG 4.5Å; K238-L260 HydrophobicContact CB-CD2 3.8Å; K238-L260 HydrophobicContact CG-CD2 4.3Å
239	I	93	Very high	92.8	Very high	15 Å²	15	59.5 Å²	59.5	8%	0.077	29%	0.285	C	S	.	.			trans	-110.4	155.4	172.6	64.6	165.2	0	0	0	111.6	H236 G237 E243 L247 L255 R257	H236-I239 HydrophobicContact CB-CD1 3.6Å; H236-I239 HydrophobicContact CB-CG1 4Å; H236-I239 HydrophobicContact CB-CG2 4.33Å; G237-I239 PolarHBondContact O-N 3.03Å; I239-E243 HydrophobicContact CB-CB 4.37Å; I239-E243 HydrophobicContact CB-CG 4.41Å; I239-E243 WeakPolarHBondContact CG2-OE1 3.29Å; I239-L247 HydrophobicContact CD1-CD1 4.02Å; I239-L255 HydrophobicContact CD1-CD1 4.1Å; I239-L255 HydrophobicContact CD1-CD2 4.41Å; I239-R257 HydrophobicContact CD1-CB 4.43Å; I239-R257 HydrophobicContact CG1-CB 3.71Å; I239-R257 HydrophobicContact CG1-CG 4.47Å; I239-R257 WeakPolarHBondContact O-CD 3.39Å
240	S	92.2	Very high	93	Very high	30 Å²	30	64.2 Å²	64.2	21%	0.21	31%	0.31	C	S	.	.			trans	-73.9	168.5	-179.5	96.1	0	0	0	0	112.4	E242 E243 S244	S240-E242 VanDerWaalsContact C-N 3.31Å; S240-E242 VanDerWaalsContact CB-OE2 3.3Å; S240-E242 WeakPolarHBondContact CB-OE2 3.31Å; S240-E242 PolarHBondContact OG-N 3.21Å; S240-E242 PolarHBondContact OG-OE2 3.31Å; S240-E243 PolarHBondContact OG-N 3.26Å; S240-S244 PolarHBondContact O-N 3.03Å; S240-S244 PolarHBondContact O-OG 3.28Å
241	R	91.9	Very high	93.1	Very high	128 Å²	128	62.8 Å²	62.8	48%	0.483	31%	0.307	S	S	.	.	H	α-helix	trans	-61.8	-45	173.8	-172.7	-174.5	-156.6	-173.5	11.5	110.3	S244 Q245 H278	R241-S244 PolarHBondContact O-N 3.13Å; R241-S244 PolarHBondContact O-OG 2.85Å; R241-Q245 WeakPolarHBondContact O-CG 3.09Å; R241-Q245 PolarHBondContact O-N 3.27Å; R241-H278 PolarHBondContact NE-CD2 3.3Å; R241-H278 PolarHBondContact NE-NE2 2.84Å; R241-H278 PolarHBondContact NH2-CD2 2.91Å
242	E	93.2	Very high	93.3	Very high	100 Å²	100	56.4 Å²	56.4	47%	0.467	27%	0.273	S	S	.	.	H	α-helix	trans	-64.7	-44.1	-178.3	-56.3	66.8	-141.6	0	0	110.7	S240 S244 Q245 R246	S240-E242 VanDerWaalsContact C-N 3.31Å; S240-E242 VanDerWaalsContact CB-OE2 3.3Å; S240-E242 WeakPolarHBondContact CB-OE2 3.31Å; S240-E242 PolarHBondContact OG-N 3.21Å; S240-E242 PolarHBondContact OG-OE2 3.31Å; E242-S244 PolarHBondContact O-N 3.22Å; E242-Q245 PolarHBondContact O-N 3.19Å; E242-R246 WeakPolarHBondContact O-CG 3.34Å; E242-R246 PolarHBondContact O-N 2.69Å
243	E	92	Very high	93.4	Very high	86 Å²	86	55.1 Å²	55.1	40%	0.402	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-43.6	174.9	-166.3	174.3	129.2	0	0	111.3	I239 S240 Q245 R246 L247	I239-E243 HydrophobicContact CB-CB 4.37Å; I239-E243 HydrophobicContact CB-CG 4.41Å; I239-E243 WeakPolarHBondContact CG2-OE1 3.29Å; S240-E243 PolarHBondContact OG-N 3.26Å; E243-Q245 VanDerWaalsContact C-N 3.28Å; E243-Q245 PolarHBondContact O-N 3.2Å; E243-R246 PolarHBondContact O-N 2.82Å; E243-L247 WeakPolarHBondContact O-CG 3.47Å; E243-L247 PolarHBondContact O-N 3.49Å
244	S	93.6	Very high	93.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-32.8	176.6	71.2	0	0	0	0	113.8	S240 R241 E242 L247 V248 T269	S240-S244 PolarHBondContact O-N 3.03Å; S240-S244 PolarHBondContact O-OG 3.28Å; R241-S244 PolarHBondContact O-N 3.13Å; R241-S244 PolarHBondContact O-OG 2.85Å; E242-S244 PolarHBondContact O-N 3.22Å; S244-L247 PolarHBondContact O-N 2.67Å; S244-V248 WeakPolarHBondContact O-CG2 3.31Å; S244-V248 PolarHBondContact O-N 3.39Å; S244-T269 PolarHBondContact OG-OG1 3.39Å
245	Q	95.4	Very high	93.8	Very high	49 Å²	49	51.7 Å²	51.7	23%	0.229	25%	0.246	C	C	.	.	H	α-helix	trans	-70.3	-35.6	177.2	-73.4	177.6	-13.2	0	0	111.9	R241 E242 E243 L247 V248 Y276 H278	R241-Q245 WeakPolarHBondContact O-CG 3.09Å; R241-Q245 PolarHBondContact O-N 3.27Å; E242-Q245 PolarHBondContact O-N 3.19Å; E243-Q245 VanDerWaalsContact C-N 3.28Å; E243-Q245 PolarHBondContact O-N 3.2Å; Q245-L247 PolarHBondContact O-N 3.27Å; Q245-V248 PolarHBondContact O-N 3.45Å; Q245-Y276 HydrophobicContact CB-CD1 4.16Å; Q245-Y276 HydrophobicContact CB-CD2 4.26Å; Q245-Y276 HydrophobicContact CB-CE1 3.88Å; Q245-Y276 HydrophobicContact CB-CE2 3.99Å; Q245-Y276 HydrophobicContact CB-CG 4.35Å; Q245-Y276 HydrophobicContact CG-CD1 3.84Å; Q245-Y276 HydrophobicContact CG-CD2 3.78Å; Q245-Y276 HydrophobicContact CG-CE1 4.09Å; Q245-Y276 HydrophobicContact CG-CE2 4.04Å; Q245-Y276 HydrophobicContact CG-CG 3.68Å; Q245-Y276 WeakPolarHBondContact O-CE1 3.4Å; Q245-Y276 PolarHBondContact O-OH 3.44Å; Q245-H278 PolarHBondContact NE2-NE2 2.84Å
246	R	93.8	Very high	93.8	Very high	184 Å²	184	51.7 Å²	51.7	69%	0.694	25%	0.246	S	C	*	.	H	α-helix	trans	-65.8	-22.5	176.5	-66.2	176	-166.7	135.6	2.1	113.6	E242 E243	E242-R246 WeakPolarHBondContact O-CG 3.34Å; E242-R246 PolarHBondContact O-N 2.69Å; E243-R246 PolarHBondContact O-N 2.82Å
247	L	93.4	Very high	93.8	Very high	52 Å²	52	51.9 Å²	51.9	27%	0.272	25%	0.246	S	C	.	.	H	α-helix	trans	-91.2	-22.1	-177.2	-63.7	172	0	0	0	113	I239 E243 S244 Q245 L255 V325	I239-L247 HydrophobicContact CD1-CD1 4.02Å; E243-L247 WeakPolarHBondContact O-CG 3.47Å; E243-L247 PolarHBondContact O-N 3.49Å; S244-L247 PolarHBondContact O-N 2.67Å; Q245-L247 PolarHBondContact O-N 3.27Å; L247-L255 HydrophobicContact CB-CD2 3.83Å; L247-L255 HydrophobicContact CD1-CD2 3.99Å; L247-V325 HydrophobicContact CB-CG1 4.11Å; L247-V325 WeakPolarHBondContact O-CG1 3.45Å
248	V	92.7	Very high	93.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.253	C	S	.	.			trans	-99.6	103.4	-178.7	176.5	0	0	0	0	108.1	S244 Q245 D253 L255 T269 M271 Y276 V325	S244-V248 WeakPolarHBondContact O-CG2 3.31Å; S244-V248 PolarHBondContact O-N 3.39Å; Q245-V248 PolarHBondContact O-N 3.45Å; V248-D253 HydrophobicContact CB-CB 4.4Å; V248-D253 HydrophobicContact CG1-CB 3.63Å; V248-D253 WeakPolarHBondContact CG1-O 3.4Å; V248-L255 HydrophobicContact CG2-CD2 3.95Å; V248-L255 HydrophobicContact CG2-CG 4.16Å; V248-T269 HydrophobicContact CG2-CG2 4.15Å; V248-M271 HydrophobicContact CG1-CB 3.45Å; V248-M271 VanDerWaalsContact CG1-CB 3.45Å; V248-Y276 HydrophobicContact CB-CE1 4.48Å; V248-Y276 WeakPolarHBondContact O-CE1 3.34Å; V248-V325 HydrophobicContact CG2-CG2 4.24Å
249	C	92.2	Very high	93.7	Very high	85 Å²	85	46.9 Å²	46.9	57%	0.574	23%	0.226	S	C	*	.			trans	-104	-28.8	-167.5	-62.9	0	0	0	0	113.8	D253	C249-D253 PolarHBondContact N-OD2 3.4Å
250	N	94.2	Very high	93.5	Very high	100 Å²	100	50.9 Å²	50.9	54%	0.535	25%	0.247	S	C	.	.	S	Bend	trans	-126.6	157.4	-172.4	-50	-80.1	0	0	0	112.3	G252 D253	N250-G252 PolarHBondContact O-N 3.3Å; N250-D253 WeakPolarHBondContact CB-OD2 3.17Å; N250-D253 PolarHBondContact N-OD2 3.13Å; N250-D253 PolarHBondContact ND2-OD2 2.85Å; N250-D253 VanDerWaalsContact ND2-OD2 3.13Å; N250-D253 WeakPolarHBondContact O-CB 3.46Å; N250-D253 VanDerWaalsContact O-CG 3.3Å; N250-D253 PolarHBondContact O-N 2.92Å
251	D	92	Very high	93.1	Very high	69 Å²	69	55.5 Å²	55.5	37%	0.369	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	125.3	172.7	-84.3	-0.1	0	0	0	111.9	M271 Q272 Q273 G274	D251-M271 WeakPolarHBondContact CA-O 3.5Å; D251-Q272 VanDerWaalsContact OD1-C 3.31Å; D251-Q272 WeakPolarHBondContact OD1-CA 3.41Å; D251-Q273 PolarHBondContact OD1-N 2.96Å; D251-Q273 VanDerWaalsContact OD2-CA 3.23Å; D251-Q273 WeakPolarHBondContact OD2-CA 3.19Å; D251-Q273 PolarHBondContact OD2-N 2.9Å; D251-G274 PolarHBondContact OD1-N 3.14Å
252	G	91.5	Very high	92.8	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.5	-7.2	-175.3	0	0	0	0	0	114.6	N250 M271 L320 R322 N323	N250-G252 PolarHBondContact O-N 3.3Å; G252-M271 PolarHBondContact N-O 3.15Å; G252-L320 WeakPolarHBondContact CA-O 3.31Å; G252-R322 PolarHBondContact O-N 3.23Å; G252-N323 PolarHBondContact O-N 2.98Å
253	D	95.7	Very high	92.4	Very high	13 Å²	13	52.8 Å²	52.8	7%	0.07	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	140.3	169.2	-67.9	-2.7	0	0	0	109.7	V248 C249 N250 G270 M271 N323 V325	V248-D253 HydrophobicContact CB-CB 4.4Å; V248-D253 HydrophobicContact CG1-CB 3.63Å; V248-D253 WeakPolarHBondContact CG1-O 3.4Å; C249-D253 PolarHBondContact N-OD2 3.4Å; N250-D253 WeakPolarHBondContact CB-OD2 3.17Å; N250-D253 PolarHBondContact N-OD2 3.13Å; N250-D253 PolarHBondContact ND2-OD2 2.85Å; N250-D253 VanDerWaalsContact ND2-OD2 3.13Å; N250-D253 WeakPolarHBondContact O-CB 3.46Å; N250-D253 VanDerWaalsContact O-CG 3.3Å; N250-D253 PolarHBondContact O-N 2.92Å; D253-G270 CarbonylContact O-C 3.58Å; D253-G270 WeakPolarHBondContact O-CA 3.25Å; D253-M271 PolarHBondContact O-N 3.02Å; D253-N323 CarbonylContact C-O 3.58Å; D253-N323 WeakPolarHBondContact CA-O 3.49Å; D253-N323 VanDerWaalsContact OD1-CB 3.23Å; D253-N323 WeakPolarHBondContact OD1-CB 3.33Å; D253-N323 PolarHBondContact OD1-ND2 3.27Å; D253-V325 HydrophobicContact CB-CG2 3.86Å
254	F	97.7	Very high	92.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	156.5	177.1	78.4	-84	0	0	0	113.2	W234 L268 T269 I302 R306 L321 N323 A324 V325	W234-F254 HydrophobicContact CB-CE2 3.96Å; W234-F254 HydrophobicContact CB-CZ 4.39Å; W234-F254 HydrophobicContact CD2-CE2 4.29Å; W234-F254 AromaticContact CG-CE2 3.99Å; W234-F254 HydrophobicContact CG-CE2 3.99Å; W234-F254 HydrophobicContact CG-CZ 4.36Å; F254-L268 HydrophobicContact CB-CD1 3.98Å; F254-L268 HydrophobicContact CD2-CD1 3.73Å; F254-L268 HydrophobicContact CG-CD1 4.25Å; F254-T269 CarbonylContact C-O 3.57Å; F254-T269 VanDerWaalsContact CA-O 3.24Å; F254-T269 WeakPolarHBondContact CA-O 3.46Å; F254-I302 HydrophobicContact CE2-CG2 3.69Å; F254-I302 HydrophobicContact CZ-CG2 3.97Å; F254-R306 HydrophobicContact CE1-CG 4.3Å; F254-R306 VanDerWaalsContact CZ-CD 3.44Å; F254-R306 HydrophobicContact CZ-CG 4.28Å; F254-L321 HydrophobicContact CB-CD2 3.78Å; F254-L321 HydrophobicContact CD1-CB 3.84Å; F254-L321 HydrophobicContact CD1-CD2 4.14Å; F254-L321 HydrophobicContact CD1-CG 4.49Å; F254-L321 HydrophobicContact CD2-CD1 4.48Å; F254-L321 HydrophobicContact CD2-CD2 4.29Å; F254-L321 HydrophobicContact CE1-CB 3.99Å; F254-L321 HydrophobicContact CG-CB 4.29Å; F254-L321 HydrophobicContact CG-CD2 3.79Å; F254-L321 HydrophobicContact CG-CG 4.46Å; F254-N323 WeakPolarHBondContact CD1-O 3.37Å; F254-N323 PolarHBondContact N-O 2.72Å; F254-A324 VanDerWaalsContact CE1-CA 3.46Å; F254-A324 HydrophobicContact CE1-CB 3.92Å; F254-A324 HydrophobicContact CZ-CB 3.68Å; F254-V325 PolarHBondContact O-N 2.82Å
255	L	97.5	Very high	92	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	162.4	168.6	65.9	82.7	0	0	0	110.7	W234 I239 L247 V248 R257 L268 T269 V325	W234-L255 WeakPolarHBondContact O-CA 3.48Å; I239-L255 HydrophobicContact CD1-CD1 4.1Å; I239-L255 HydrophobicContact CD1-CD2 4.41Å; L247-L255 HydrophobicContact CB-CD2 3.83Å; L247-L255 HydrophobicContact CD1-CD2 3.99Å; V248-L255 HydrophobicContact CG2-CD2 3.95Å; V248-L255 HydrophobicContact CG2-CG 4.16Å; L255-R257 HydrophobicContact CD1-CB 4.28Å; L255-L268 WeakPolarHBondContact O-CD1 3.33Å; L255-T269 PolarHBondContact N-O 3.4Å; L255-T269 PolarHBondContact O-N 3.22Å; L255-T269 VanDerWaalsContact O-O 3.12Å; L255-V325 HydrophobicContact CB-CB 4.34Å
256	V	97.2	Very high	91.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.4	172	179	0	0	0	0	109.9	W234 F235 H236 F266 V267 L268 L281 V298 I302	W234-V256 HydrophobicContact CE3-CB 3.73Å; W234-V256 HydrophobicContact CE3-CG2 3.56Å; W234-V256 HydrophobicContact CZ3-CB 3.69Å; W234-V256 HydrophobicContact CZ3-CG1 4.35Å; W234-V256 HydrophobicContact CZ3-CG2 3.48Å; W234-V256 VanDerWaalsContact CZ3-CG2 3.48Å; W234-V256 PolarHBondContact O-N 3.05Å; F235-V256 WeakPolarHBondContact CA-O 2.95Å; F235-V256 HydrophobicContact CD2-CB 4.24Å; F235-V256 HydrophobicContact CD2-CG1 4.03Å; F235-V256 WeakPolarHBondContact CD2-O 3.38Å; F235-V256 HydrophobicContact CE2-CG1 4.44Å; H236-V256 PolarHBondContact N-O 3Å; V256-F266 HydrophobicContact CG1-CB 4.13Å; V256-F266 HydrophobicContact CG1-CD1 4.49Å; V256-V267 WeakPolarHBondContact CA-O 3.28Å; V256-L268 HydrophobicContact CG2-CB 4.41Å; V256-L268 HydrophobicContact CG2-CD1 3.96Å; V256-L281 HydrophobicContact CG1-CD1 4.09Å; V256-L281 HydrophobicContact CG2-CD1 4.2Å; V256-V298 HydrophobicContact CG1-CG1 4.27Å; V256-I302 HydrophobicContact CG2-CD1 3.89Å; V256-I302 HydrophobicContact CG2-CG1 4.19Å
257	R	95.5	Very high	92	Very high	22 Å²	22	41.4 Å²	41.4	8%	0.083	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157.8	176.6	63.5	-177.6	-176.4	79.8	1.6	111	G237 I239 L255 F266 V267	G237-R257 CarbonylContact O-C 3.45Å; G237-R257 WeakPolarHBondContact O-CA 3.36Å; G237-R257 WeakPolarHBondContact O-CB 3.38Å; I239-R257 HydrophobicContact CD1-CB 4.43Å; I239-R257 HydrophobicContact CG1-CB 3.71Å; I239-R257 HydrophobicContact CG1-CG 4.47Å; I239-R257 WeakPolarHBondContact O-CD 3.39Å; L255-R257 HydrophobicContact CD1-CB 4.28Å; R257-F266 CarbonylContact O-C 3.54Å; R257-F266 WeakPolarHBondContact O-CA 3.46Å; R257-V267 HydrophobicContact CG-CB 4Å; R257-V267 PolarHBondContact N-O 3.48Å; R257-V267 PolarHBondContact O-N 3.44Å
258	Q	93.9	Very high	92.1	Very high	37 Å²	37	38.9 Å²	38.9	17%	0.173	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	144.5	164.6	-73.3	175.6	51.3	0	0	109.8	F235 G237 K238 F266	F235-Q258 HydrophobicContact CE2-CG 4.24Å; F235-Q258 HydrophobicContact CZ-CG 3.95Å; G237-Q258 PolarHBondContact O-N 2.99Å; K238-Q258 HydrophobicContact CG-CB 3.96Å; K238-Q258 HydrophobicContact CG-CG 4.5Å; Q258-F266 HydrophobicContact CG-CD1 3.96Å; Q258-F266 HydrophobicContact CG-CE1 3.61Å
259	S	89.4	Confident	92.3	Very high	15 Å²	15	38.9 Å²	38.9	11%	0.105	23%	0.231	C	C	.	.			trans	-70.5	130.5	169.7	-177.5	0	0	0	0	110.1	T261 D262 Q265	S259-T261 PolarHBondContact OG-N 3.05Å; S259-D262 WeakPolarHBondContact CB-O 3.48Å; S259-D262 WeakPolarHBondContact OG-CB 3.36Å; S259-D262 PolarHBondContact OG-N 3.15Å; S259-D262 VanDerWaalsContact OG-N 3.08Å; S259-Q265 PolarHBondContact N-O 3.39Å
260	L	88.1	Confident	92.5	Very high	99 Å²	99	34.9 Å²	34.9	52%	0.518	20%	0.204	S	C	.	.	S	Bend	trans	-80.9	-21.4	174	-61.2	-177.8	0	0	0	112.4	K238	K238-L260 HydrophobicContact CB-CD2 3.8Å; K238-L260 HydrophobicContact CG-CD2 4.3Å
261	T	84.5	Confident	92.4	Very high	126 Å²	126	31.1 Å²	31.1	77%	0.773	18%	0.183	S	C	*	.	S	Bend	trans	-106	-11.5	-174.1	55.6	0	0	0	0	113.6	S259	S259-T261 PolarHBondContact OG-N 3.05Å
262	D	84.8	Confident	92.3	Very high	54 Å²	54	29.6 Å²	29.6	29%	0.289	17%	0.174	S	C	.	.	S	Bend	trans	-138.1	93	-176.8	-159.4	-4.4	0	0	0	110	S259 G264 Q265	S259-D262 WeakPolarHBondContact CB-O 3.48Å; S259-D262 WeakPolarHBondContact OG-CB 3.36Å; S259-D262 PolarHBondContact OG-N 3.15Å; S259-D262 VanDerWaalsContact OG-N 3.08Å; D262-G264 PolarHBondContact O-N 3.05Å; D262-Q265 HydrophobicContact CB-CB 4.09Å; D262-Q265 HydrophobicContact CB-CG 3.75Å; D262-Q265 VanDerWaalsContact CG-CG 3.41Å; D262-Q265 WeakPolarHBondContact O-CB 3.08Å; D262-Q265 PolarHBondContact O-N 2.87Å; D262-Q265 VanDerWaalsContact O-N 3.14Å; D262-Q265 WeakPolarHBondContact OD2-CG 3.35Å
263	P	85.1	Confident	92.2	Very high	118 Å²	118	36.7 Å²	36.7	77%	0.766	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	133.8	-176.8	-26.7	35.4	0	0	0	112.6	Q265	P263-Q265 VanDerWaalsContact C-N 3.3Å; P263-Q265 PolarHBondContact O-N 3.04Å
264	G	85.7	Confident	91.9	Very high	38 Å²	38	38.4 Å²	38.4	39%	0.392	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	-12.2	-178.5	0	0	0	0	0	114.6	D262 I282	D262-G264 PolarHBondContact O-N 3.05Å; G264-I282 VanDerWaalsContact O-CD1 3.32Å; G264-I282 WeakPolarHBondContact O-CD1 3.24Å
265	Q	91.6	Very high	91.5	Very high	26 Å²	26	44.7 Å²	44.7	12%	0.121	26%	0.255	C	S	.	.			trans	-84.6	145.9	177.3	-65.9	-64.4	-33	0	0	112.8	S259 D262 P263 L280 I282	S259-Q265 PolarHBondContact N-O 3.39Å; D262-Q265 HydrophobicContact CB-CB 4.09Å; D262-Q265 HydrophobicContact CB-CG 3.75Å; D262-Q265 VanDerWaalsContact CG-CG 3.41Å; D262-Q265 WeakPolarHBondContact O-CB 3.08Å; D262-Q265 PolarHBondContact O-N 2.87Å; D262-Q265 VanDerWaalsContact O-N 3.14Å; D262-Q265 WeakPolarHBondContact OD2-CG 3.35Å; P263-Q265 VanDerWaalsContact C-N 3.3Å; P263-Q265 PolarHBondContact O-N 3.04Å; Q265-L280 HydrophobicContact CB-CD2 3.91Å; Q265-L280 HydrophobicContact CG-CD2 4.24Å; Q265-I282 PolarHBondContact OE1-O 3.42Å
266	F	94.6	Very high	91.2	Very high	5 Å²	5	49.1 Å²	49.1	2%	0.022	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.7	169.7	-62	-81.3	0	0	0	110.3	N225 L226 L229 F235 V256 R257 Q258 L281 I282 V298	N225-F266 HydrophobicContact CB-CE2 3.84Å; N225-F266 HydrophobicContact CB-CZ 4.26Å; L226-F266 HydrophobicContact CB-CZ 4.39Å; L226-F266 HydrophobicContact CD1-CE1 4.39Å; L229-F266 HydrophobicContact CD1-CD1 3.67Å; L229-F266 HydrophobicContact CD1-CD2 4.25Å; L229-F266 HydrophobicContact CD1-CE1 3.34Å; L229-F266 HydrophobicContact CD1-CE2 4Å; L229-F266 HydrophobicContact CD1-CG 4.11Å; L229-F266 HydrophobicContact CD1-CZ 3.53Å; F235-F266 AromaticContact CE2-CD1 3.82Å; F235-F266 HydrophobicContact CE2-CD1 3.82Å; F235-F266 AromaticContact CE2-CE1 3.78Å; F235-F266 HydrophobicContact CE2-CE1 3.78Å; F235-F266 HydrophobicContact CZ-CD1 4.39Å; F235-F266 AromaticContact CZ-CE1 3.89Å; F235-F266 HydrophobicContact CZ-CE1 3.89Å; V256-F266 HydrophobicContact CG1-CB 4.13Å; V256-F266 HydrophobicContact CG1-CD1 4.49Å; R257-F266 CarbonylContact O-C 3.54Å; R257-F266 WeakPolarHBondContact O-CA 3.46Å; Q258-F266 HydrophobicContact CG-CD1 3.96Å; Q258-F266 HydrophobicContact CG-CE1 3.61Å; F266-L281 HydrophobicContact CB-CB 4.45Å; F266-L281 HydrophobicContact CB-CD1 4.25Å; F266-L281 PolarHBondContact O-N 3.44Å; F266-I282 HydrophobicContact CD2-CD1 3.61Å; F266-I282 HydrophobicContact CD2-CG1 4.5Å; F266-I282 HydrophobicContact CE2-CD1 4.03Å; F266-V298 HydrophobicContact CB-CG2 4.45Å; F266-V298 HydrophobicContact CD2-CG2 4.01Å; F266-V298 HydrophobicContact CG-CG2 4.36Å
267	V	94.9	Very high	90.9	Very high	10 Å²	10	51.3 Å²	51.3	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.8	179.1	-173.4	0	0	0	0	109.1	V256 R257 H278 L279 L280	V256-V267 WeakPolarHBondContact CA-O 3.28Å; R257-V267 HydrophobicContact CG-CB 4Å; R257-V267 PolarHBondContact N-O 3.48Å; R257-V267 PolarHBondContact O-N 3.44Å; V267-H278 HydrophobicContact CG1-CB 4.08Å; V267-L279 CarbonylContact C-O 3.52Å; V267-L279 VanDerWaalsContact CA-O 3.31Å; V267-L279 WeakPolarHBondContact CA-O 3.23Å; V267-L280 HydrophobicContact CG2-CD2 3.98Å
268	L	96.5	Very high	90.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	116.3	165.8	170.8	62.7	0	0	0	108.7	F254 L255 V256 H278 L279 L281 I302 I312 L319 L321	F254-L268 HydrophobicContact CB-CD1 3.98Å; F254-L268 HydrophobicContact CD2-CD1 3.73Å; F254-L268 HydrophobicContact CG-CD1 4.25Å; L255-L268 WeakPolarHBondContact O-CD1 3.33Å; V256-L268 HydrophobicContact CG2-CB 4.41Å; V256-L268 HydrophobicContact CG2-CD1 3.96Å; L268-H278 CarbonylContact O-C 3.55Å; L268-H278 VanDerWaalsContact O-CA 3.29Å; L268-H278 WeakPolarHBondContact O-CA 3.27Å; L268-L279 HydrophobicContact CB-CB 4.38Å; L268-L279 HydrophobicContact CD2-CD1 4.26Å; L268-L279 PolarHBondContact N-O 3.42Å; L268-L279 PolarHBondContact O-N 2.87Å; L268-L281 HydrophobicContact CB-CD1 4.07Å; L268-L281 HydrophobicContact CB-CD2 3.78Å; L268-L281 HydrophobicContact CB-CG 4.14Å; L268-L281 HydrophobicContact CD2-CD2 4.25Å; L268-I302 HydrophobicContact CD1-CD1 3.98Å; L268-I302 HydrophobicContact CD2-CD1 4.17Å; L268-I312 HydrophobicContact CD2-CD1 3.45Å; L268-I312 VanDerWaalsContact CD2-CD1 3.45Å; L268-L319 HydrophobicContact CD2-CD2 4.03Å; L268-L319 HydrophobicContact CG-CD2 4.11Å; L268-L321 HydrophobicContact CD1-CD2 4.14Å; L268-L321 HydrophobicContact CD2-CD1 4.19Å; L268-L321 HydrophobicContact CD2-CD2 4.01Å
269	T	95.5	Very high	90.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.4	169.4	-64.3	0	0	0	0	108.2	S244 V248 F254 L255 R277 H278	S244-T269 PolarHBondContact OG-OG1 3.39Å; V248-T269 HydrophobicContact CG2-CG2 4.15Å; F254-T269 CarbonylContact C-O 3.57Å; F254-T269 VanDerWaalsContact CA-O 3.24Å; F254-T269 WeakPolarHBondContact CA-O 3.46Å; L255-T269 PolarHBondContact N-O 3.4Å; L255-T269 PolarHBondContact O-N 3.22Å; L255-T269 VanDerWaalsContact O-O 3.12Å; T269-R277 CarbonylContact C-O 3.51Å; T269-R277 VanDerWaalsContact CA-O 3.31Å; T269-R277 WeakPolarHBondContact CA-O 3.35Å; T269-H278 VanDerWaalsContact CG2-CE1 3.47Å; T269-H278 WeakPolarHBondContact CG2-CE1 3.49Å; T269-H278 PolarHBondContact OG1-ND1 3.02Å
270	G	95.9	Very high	90.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	174.5	170.6	0	0	0	0	0	112.3	D253 Y276 R277	D253-G270 CarbonylContact O-C 3.58Å; D253-G270 WeakPolarHBondContact O-CA 3.25Å; G270-Y276 CarbonylContact O-C 3.56Å; G270-Y276 WeakPolarHBondContact O-CA 3.42Å; G270-R277 PolarHBondContact N-O 2.89Å; G270-R277 PolarHBondContact O-N 3.08Å
271	M	93.4	Very high	91	Very high	22 Å²	22	51.3 Å²	51.3	11%	0.108	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.9	179.9	-174.3	168.3	-138.4	0	0	110.8	V248 D251 G252 D253 G274 Y276	V248-M271 HydrophobicContact CG1-CB 3.45Å; V248-M271 VanDerWaalsContact CG1-CB 3.45Å; D251-M271 WeakPolarHBondContact CA-O 3.5Å; G252-M271 PolarHBondContact N-O 3.15Å; D253-M271 PolarHBondContact O-N 3.02Å; M271-G274 VanDerWaalsContact CE-O 3.29Å; M271-G274 WeakPolarHBondContact CE-O 3.48Å; M271-Y276 HydrophobicContact CE-CD1 4.49Å; M271-Y276 HydrophobicContact CE-CE1 4.03Å; M271-Y276 HydrophobicContact SD-CE1 4.24Å
272	Q	90.4	Very high	91.3	Very high	37 Å²	37	46.2 Å²	46.2	17%	0.173	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	130.9	175.9	-174.7	86.3	20.3	0	0	109.5	D251 G274 K275 A318 L319	D251-Q272 VanDerWaalsContact OD1-C 3.31Å; D251-Q272 WeakPolarHBondContact OD1-CA 3.41Å; Q272-G274 PolarHBondContact O-N 2.9Å; Q272-K275 PolarHBondContact N-O 3.41Å; Q272-K275 PolarHBondContact O-N 2.81Å; Q272-K275 VanDerWaalsContact O-N 3.07Å; Q272-A318 WeakPolarHBondContact CG-O 3.49Å; Q272-L319 HydrophobicContact CB-CD1 4.15Å
273	Q	89.4	Confident	91.3	Very high	148 Å²	148	45 Å²	45	69%	0.692	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	42	-177.4	-66	171	-22.2	0	0	111.5	D251 K275	D251-Q273 PolarHBondContact OD1-N 2.96Å; D251-Q273 VanDerWaalsContact OD2-CA 3.23Å; D251-Q273 WeakPolarHBondContact OD2-CA 3.19Å; D251-Q273 PolarHBondContact OD2-N 2.9Å; Q273-K275 PolarHBondContact O-N 2.8Å; Q273-K275 VanDerWaalsContact O-N 3.12Å
274	G	89.1	Confident	91.1	Very high	50 Å²	50	44.3 Å²	44.3	52%	0.515	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	5.8	-179.1	0	0	0	0	0	114.8	D251 M271 Q272	D251-G274 PolarHBondContact OD1-N 3.14Å; M271-G274 VanDerWaalsContact CE-O 3.29Å; M271-G274 WeakPolarHBondContact CE-O 3.48Å; Q272-G274 PolarHBondContact O-N 2.9Å
275	K	89.5	Confident	90.9	Very high	132 Å²	132	47 Å²	47	57%	0.574	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.4	-178.9	-66.6	-179.3	-179.3	179.3	0	110.8	Q272 Q273	Q272-K275 PolarHBondContact N-O 3.41Å; Q272-K275 PolarHBondContact O-N 2.81Å; Q272-K275 VanDerWaalsContact O-N 3.07Å; Q273-K275 PolarHBondContact O-N 2.8Å; Q273-K275 VanDerWaalsContact O-N 3.12Å
276	Y	90.6	Very high	90.5	Very high	92 Å²	92	46.4 Å²	46.4	36%	0.361	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	136.9	170.6	-59	-67	0	0	0	111.3	Q245 V248 G270 M271	Q245-Y276 HydrophobicContact CB-CD1 4.16Å; Q245-Y276 HydrophobicContact CB-CD2 4.26Å; Q245-Y276 HydrophobicContact CB-CE1 3.88Å; Q245-Y276 HydrophobicContact CB-CE2 3.99Å; Q245-Y276 HydrophobicContact CB-CG 4.35Å; Q245-Y276 HydrophobicContact CG-CD1 3.84Å; Q245-Y276 HydrophobicContact CG-CD2 3.78Å; Q245-Y276 HydrophobicContact CG-CE1 4.09Å; Q245-Y276 HydrophobicContact CG-CE2 4.04Å; Q245-Y276 HydrophobicContact CG-CG 3.68Å; Q245-Y276 WeakPolarHBondContact O-CE1 3.4Å; Q245-Y276 PolarHBondContact O-OH 3.44Å; V248-Y276 HydrophobicContact CB-CE1 4.48Å; V248-Y276 WeakPolarHBondContact O-CE1 3.34Å; G270-Y276 CarbonylContact O-C 3.56Å; G270-Y276 WeakPolarHBondContact O-CA 3.42Å; M271-Y276 HydrophobicContact CE-CD1 4.49Å; M271-Y276 HydrophobicContact CE-CE1 4.03Å; M271-Y276 HydrophobicContact SD-CE1 4.24Å
277	R	91.2	Very high	90.2	Very high	46 Å²	46	49.3 Å²	49.3	17%	0.174	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135	176.5	-55.6	-57.7	177.1	167.1	8.8	108.5	T269 G270 L319	T269-R277 CarbonylContact C-O 3.51Å; T269-R277 VanDerWaalsContact CA-O 3.31Å; T269-R277 WeakPolarHBondContact CA-O 3.35Å; G270-R277 PolarHBondContact N-O 2.89Å; G270-R277 PolarHBondContact O-N 3.08Å; R277-L319 HydrophobicContact CB-CD1 4.35Å; R277-L319 HydrophobicContact CB-CD2 4.21Å; R277-L319 HydrophobicContact CG-CD1 4.41Å
278	H	92.1	Very high	90.1	Very high	40 Å²	40	48.8 Å²	48.8	19%	0.185	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	115.7	-179	-57.1	-80.9	0	0	0	108.8	R241 Q245 V267 L268 T269	R241-H278 PolarHBondContact NE-CD2 3.3Å; R241-H278 PolarHBondContact NE-NE2 2.84Å; R241-H278 PolarHBondContact NH2-CD2 2.91Å; Q245-H278 PolarHBondContact NE2-NE2 2.84Å; V267-H278 HydrophobicContact CG1-CB 4.08Å; L268-H278 CarbonylContact O-C 3.55Å; L268-H278 VanDerWaalsContact O-CA 3.29Å; L268-H278 WeakPolarHBondContact O-CA 3.27Å; T269-H278 VanDerWaalsContact CG2-CE1 3.47Å; T269-H278 WeakPolarHBondContact CG2-CE1 3.49Å; T269-H278 PolarHBondContact OG1-ND1 3.02Å
279	L	91.7	Very high	89.7	Confident	29 Å²	29	52.2 Å²	52.2	15%	0.152	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.8	-173.6	-57.4	174	0	0	0	109.8	V267 L268 I312 L319	V267-L279 CarbonylContact C-O 3.52Å; V267-L279 VanDerWaalsContact CA-O 3.31Å; V267-L279 WeakPolarHBondContact CA-O 3.23Å; L268-L279 HydrophobicContact CB-CB 4.38Å; L268-L279 HydrophobicContact CD2-CD1 4.26Å; L268-L279 PolarHBondContact N-O 3.42Å; L268-L279 PolarHBondContact O-N 2.87Å; L279-I312 HydrophobicContact CD1-CB 4.13Å; L279-I312 HydrophobicContact CD1-CG2 3.55Å; L279-L319 HydrophobicContact CD1-CD2 4.13Å
280	L	91.3	Very high	89.3	Confident	102 Å²	102	53.1 Å²	53.1	53%	0.534	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	134.3	166.5	-74.1	166.7	0	0	0	108.7	Q265 V267	Q265-L280 HydrophobicContact CB-CD2 3.91Å; Q265-L280 HydrophobicContact CG-CD2 4.24Å; V267-L280 HydrophobicContact CG2-CD2 3.98Å
281	L	93	Very high	88.5	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.016	28%	0.279	C	S	.	.			trans	-100.6	-11	-173.7	-59.1	-178.4	0	0	0	113.6	V256 F266 L268 V288 R289 V298 L301	V256-L281 HydrophobicContact CG1-CD1 4.09Å; V256-L281 HydrophobicContact CG2-CD1 4.2Å; F266-L281 HydrophobicContact CB-CB 4.45Å; F266-L281 HydrophobicContact CB-CD1 4.25Å; F266-L281 PolarHBondContact O-N 3.44Å; L268-L281 HydrophobicContact CB-CD1 4.07Å; L268-L281 HydrophobicContact CB-CD2 3.78Å; L268-L281 HydrophobicContact CB-CG 4.14Å; L268-L281 HydrophobicContact CD2-CD2 4.25Å; L281-V288 CarbonylContact O-C 3.51Å; L281-V288 VanDerWaalsContact O-CA 3.27Å; L281-V288 WeakPolarHBondContact O-CA 3.28Å; L281-R289 PolarHBondContact O-N 3.15Å; L281-V298 HydrophobicContact CB-CG2 4.43Å; L281-V298 HydrophobicContact CD1-CG1 3.59Å; L281-V298 HydrophobicContact CD1-CG2 4.36Å; L281-L301 HydrophobicContact CD2-CD1 4.16Å; L281-L301 HydrophobicContact CD2-CD2 4.26Å
282	I	90.4	Very high	87.7	Confident	18 Å²	18	59.1 Å²	59.1	9%	0.092	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-116.8	129.6	179.8	-64.9	173.1	0	0	0	108	G264 Q265 F266 H287 V288	G264-I282 VanDerWaalsContact O-CD1 3.32Å; G264-I282 WeakPolarHBondContact O-CD1 3.24Å; Q265-I282 PolarHBondContact OE1-O 3.42Å; F266-I282 HydrophobicContact CD2-CD1 3.61Å; F266-I282 HydrophobicContact CD2-CG1 4.5Å; F266-I282 HydrophobicContact CE2-CD1 4.03Å; I282-H287 WeakPolarHBondContact CA-O 3.23Å; I282-V288 HydrophobicContact CG1-CG2 4.02Å
283	D	85.4	Confident	87.4	Confident	29 Å²	29	60.4 Å²	60.4	16%	0.155	30%	0.304	C	S	.	.			trans	-75.7	172.9	176.6	67.4	18	0	0	0	112.4	D285 G286 H287 R289	D283-D285 PolarHBondContact O-N 3.04Å; D283-D285 VanDerWaalsContact O-N 3.15Å; D283-D285 VanDerWaalsContact OD1-C 3.29Å; D283-D285 WeakPolarHBondContact OD1-CA 3.41Å; D283-D285 WeakPolarHBondContact OD1-CB 3.3Å; D283-D285 PolarHBondContact OD1-N 3.46Å; D283-G286 PolarHBondContact O-N 3.45Å; D283-G286 PolarHBondContact OD1-N 3.39Å; D283-H287 PolarHBondContact N-O 3.47Å; D283-H287 IonicContact OD1-CG 2.8Å; D283-H287 PolarHBondContact OD1-N 2.82Å; D283-H287 IonicContact OD1-ND1 3.67Å; D283-H287 PolarHBondContact OD1-ND1 3.41Å; D283-H287 IonicContact OD2-ND1 2.82Å; D283-R289 HydrophobicContact CB-CG 3.92Å; D283-R289 WeakPolarHBondContact OD2-CD 3.44Å
284	D	80.9	Confident	87.4	Confident	104 Å²	104	59.6 Å²	59.6	56%	0.556	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-19.3	179.4	-65.5	-27.6	0	0	0	111.9	K34	K34-D284 WeakPolarHBondContact CE-OD2 3.49Å; K34-D284 IonicContact NZ-OD1 3.39Å; K34-D284 PolarHBondContact NZ-OD1 3.43Å; K34-D284 VanDerWaalsContact NZ-OD1 3.1Å; K34-D284 IonicContact NZ-OD2 3.45Å; K34-D284 PolarHBondContact NZ-OD2 3.5Å
285	D	81.8	Confident	87.6	Confident	93 Å²	93	57.7 Å²	57.7	50%	0.497	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	1.3	175.9	-60.4	-42.9	0	0	0	113	Y218 D283 H287	Y218-D285 VanDerWaalsContact CE1-C 3.44Å; Y218-D285 WeakPolarHBondContact CE1-O 3.44Å; Y218-D285 WeakPolarHBondContact OH-CA 3.45Å; Y218-D285 PolarHBondContact OH-O 3.07Å; D283-D285 PolarHBondContact O-N 3.04Å; D283-D285 VanDerWaalsContact O-N 3.15Å; D283-D285 VanDerWaalsContact OD1-C 3.29Å; D283-D285 WeakPolarHBondContact OD1-CA 3.41Å; D283-D285 WeakPolarHBondContact OD1-CB 3.3Å; D283-D285 PolarHBondContact OD1-N 3.46Å; D285-H287 WeakPolarHBondContact CB-ND1 3.48Å; D285-H287 PolarHBondContact O-CE1 3.29Å; D285-H287 PolarHBondContact O-ND1 2.87Å
286	G	83.5	Confident	87.6	Confident	15 Å²	15	56.8 Å²	56.8	16%	0.155	27%	0.273	C	S	.	.	S	Bend	trans	86.4	4	177.4	0	0	0	0	0	115.8	D283	D283-G286 PolarHBondContact O-N 3.45Å; D283-G286 PolarHBondContact OD1-N 3.39Å
287	H	88.5	Confident	87.7	Confident	65 Å²	65	54.6 Å²	54.6	30%	0.301	27%	0.268	S	S	.	.			trans	-86.7	140.3	-179.6	-53.7	83.5	0	0	0	111.3	I282 D283 D285 R289	I282-H287 WeakPolarHBondContact CA-O 3.23Å; D283-H287 PolarHBondContact N-O 3.47Å; D283-H287 IonicContact OD1-CG 2.8Å; D283-H287 PolarHBondContact OD1-N 2.82Å; D283-H287 IonicContact OD1-ND1 3.67Å; D283-H287 PolarHBondContact OD1-ND1 3.41Å; D283-H287 IonicContact OD2-ND1 2.82Å; D285-H287 WeakPolarHBondContact CB-ND1 3.48Å; D285-H287 PolarHBondContact O-CE1 3.29Å; D285-H287 PolarHBondContact O-ND1 2.87Å; H287-R289 PolarHBondContact O-N 3.39Å
288	V	91.4	Very high	87.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	117.8	169.8	-178.8	0	0	0	0	108.8	L281 I282 F295 V298 L301	L281-V288 CarbonylContact O-C 3.51Å; L281-V288 VanDerWaalsContact O-CA 3.27Å; L281-V288 WeakPolarHBondContact O-CA 3.28Å; I282-V288 HydrophobicContact CG1-CG2 4.02Å; V288-F295 HydrophobicContact CG1-CB 4.22Å; V288-F295 PolarHBondContact O-N 2.95Å; V288-F295 VanDerWaalsContact O-O 3.11Å; V288-V298 HydrophobicContact CG1-CG2 4.06Å; V288-V298 HydrophobicContact CG2-CG2 3.96Å; V288-L301 HydrophobicContact CG1-CB 4.13Å; V288-L301 HydrophobicContact CG1-CD1 3.76Å
289	R	89.3	Confident	87.9	Confident	72 Å²	72	51.1 Å²	51.1	27%	0.272	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	153.9	-179.5	72	173.9	-62.8	150.9	2.2	113.5	L281 D283 H287 K291 Q293 R294	L281-R289 PolarHBondContact O-N 3.15Å; D283-R289 HydrophobicContact CB-CG 3.92Å; D283-R289 WeakPolarHBondContact OD2-CD 3.44Å; H287-R289 PolarHBondContact O-N 3.39Å; R289-K291 PolarHBondContact NH2-O 3.43Å; R289-Q293 CarbonylContact C-O 3.29Å; R289-Q293 VanDerWaalsContact CA-O 3.28Å; R289-Q293 WeakPolarHBondContact CA-O 3.36Å; R289-Q293 VanDerWaalsContact CB-O 3.25Å; R289-Q293 WeakPolarHBondContact CB-O 3.32Å; R289-R294 HydrophobicContact CB-CB 4.43Å; R289-R294 HydrophobicContact CB-CG 3.93Å
290	T	87.5	Confident	88	Confident	19 Å²	19	53 Å²	53	12%	0.117	26%	0.263	C	S	.	.			trans	-89.8	-178.1	155.2	61.2	0	0	0	0	108.9	D292 Q293 F295 L301 I312	T290-D292 VanDerWaalsContact C-N 3.26Å; T290-D292 PolarHBondContact O-N 3.46Å; T290-Q293 PolarHBondContact N-O 3.37Å; T290-Q293 PolarHBondContact OG1-N 3.19Å; T290-Q293 PolarHBondContact OG1-O 2.82Å; T290-F295 HydrophobicContact CG2-CE2 3.96Å; T290-L301 HydrophobicContact CG2-CD1 3.88Å; T290-L301 HydrophobicContact CG2-CD2 4.3Å; T290-L301 HydrophobicContact CG2-CG 4.09Å; T290-I312 HydrophobicContact CG2-CG1 4.29Å; T290-I312 HydrophobicContact CG2-CG2 3.74Å
291	K	77.9	Confident	88.2	Confident	51 Å²	51	48.2 Å²	48.2	22%	0.222	24%	0.238	C	C	.	.	S	Bend	trans	-51.2	-48.6	176.1	-175.4	-176.4	139.2	162.1	0	111.6	A171 T172 R289	A171-K291 VanDerWaalsContact O-CD 3.29Å; A171-K291 WeakPolarHBondContact O-CD 3.42Å; A171-K291 WeakPolarHBondContact O-CE 3.34Å; A171-K291 PolarHBondContact O-NZ 2.84Å; T172-K291 VanDerWaalsContact CA-NZ 3.32Å; T172-K291 WeakPolarHBondContact O-CE 3.49Å; T172-K291 PolarHBondContact O-NZ 2.78Å; R289-K291 PolarHBondContact NH2-O 3.43Å
292	D	77.3	Confident	88.3	Confident	96 Å²	96	48 Å²	48	51%	0.513	24%	0.237	S	C	.	.	S	Bend	trans	-101.7	-12.2	-166.9	-56.1	-32.3	0	0	0	113.5	S175 T290	S175-D292 PolarHBondContact OG-OD2 2.92Å; T290-D292 VanDerWaalsContact C-N 3.26Å; T290-D292 PolarHBondContact O-N 3.46Å
293	Q	84.2	Confident	88.5	Confident	64 Å²	64	50.1 Å²	50.1	30%	0.299	25%	0.248	S	C	.	.			trans	-145.7	137.5	-171.8	-170.9	170	0.3	0	0	113	R289 T290 F295 Y304	R289-Q293 CarbonylContact C-O 3.29Å; R289-Q293 VanDerWaalsContact CA-O 3.28Å; R289-Q293 WeakPolarHBondContact CA-O 3.36Å; R289-Q293 VanDerWaalsContact CB-O 3.25Å; R289-Q293 WeakPolarHBondContact CB-O 3.32Å; T290-Q293 PolarHBondContact N-O 3.37Å; T290-Q293 PolarHBondContact OG1-N 3.19Å; T290-Q293 PolarHBondContact OG1-O 2.82Å; Q293-F295 HydrophobicContact CB-CE2 3.95Å; Q293-F295 HydrophobicContact CB-CZ 3.92Å; Q293-F295 HydrophobicContact CG-CE1 4.1Å; Q293-F295 HydrophobicContact CG-CE2 4.01Å; Q293-F295 HydrophobicContact CG-CZ 3.7Å; Q293-F295 WeakPolarHBondContact O-CE2 3.44Å; Q293-Y304 VanDerWaalsContact OE1-CZ 3.25Å; Q293-Y304 PolarHBondContact OE1-OH 2.96Å
294	R	89.9	Confident	88.8	Confident	131 Å²	131	51.5 Å²	51.5	49%	0.494	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	149	170.6	-74.3	-178.4	163.9	165.7	-0.6	110.7	R289	R289-R294 HydrophobicContact CB-CB 4.43Å; R289-R294 HydrophobicContact CB-CG 3.93Å
295	F	91.9	Very high	89.4	Confident	10 Å²	10	47.1 Å²	47.1	4%	0.044	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	155.1	179	-58.3	-87.4	0	0	0	109.9	V288 T290 Q293 H300 L301 Y304 H305	V288-F295 HydrophobicContact CG1-CB 4.22Å; V288-F295 PolarHBondContact O-N 2.95Å; V288-F295 VanDerWaalsContact O-O 3.11Å; T290-F295 HydrophobicContact CG2-CE2 3.96Å; Q293-F295 HydrophobicContact CB-CE2 3.95Å; Q293-F295 HydrophobicContact CB-CZ 3.92Å; Q293-F295 HydrophobicContact CG-CE1 4.1Å; Q293-F295 HydrophobicContact CG-CE2 4.01Å; Q293-F295 HydrophobicContact CG-CZ 3.7Å; Q293-F295 WeakPolarHBondContact O-CE2 3.44Å; F295-H300 HydrophobicContact CB-CB 4.46Å; F295-L301 HydrophobicContact CB-CB 3.99Å; F295-L301 HydrophobicContact CD1-CB 4.12Å; F295-L301 HydrophobicContact CD2-CB 3.65Å; F295-L301 HydrophobicContact CD2-CD1 3.67Å; F295-L301 HydrophobicContact CD2-CG 3.59Å; F295-L301 HydrophobicContact CE2-CB 4.15Å; F295-L301 HydrophobicContact CE2-CD1 3.99Å; F295-L301 HydrophobicContact CE2-CG 3.69Å; F295-L301 HydrophobicContact CG-CB 3.63Å; F295-L301 HydrophobicContact CG-CD1 4.46Å; F295-L301 HydrophobicContact CG-CG 4.11Å; F295-L301 HydrophobicContact CZ-CG 4.27Å; F295-Y304 AromaticContact CE1-CD1 3.6Å; F295-Y304 HydrophobicContact CE1-CD1 3.6Å; F295-Y304 HydrophobicContact CE1-CD2 4.33Å; F295-Y304 HydrophobicContact CE1-CE1 4.32Å; F295-Y304 AromaticContact CE1-CG 3.6Å; F295-Y304 HydrophobicContact CE1-CG 3.6Å; F295-Y304 AromaticContact CZ-CD1 3.8Å; F295-Y304 HydrophobicContact CZ-CD1 3.8Å; F295-Y304 HydrophobicContact CZ-CE1 4.33Å; F295-Y304 HydrophobicContact CZ-CG 4.28Å; F295-H305 AromaticContact CZ-NE2 3.82Å
296	D	89.3	Confident	90	Very high	113 Å²	113	46.7 Å²	46.7	60%	0.604	22%	0.219	S	C	*	.	S	Bend	trans	-68.3	-38.5	-178.8	-50.1	-52.8	0	0	0	112	H300	D296-H300 IonicContact OD2-CE1 3.66Å; D296-H300 PolarHBondContact OD2-CE1 3.17Å; D296-H300 IonicContact OD2-ND1 3.95Å; D296-H300 PolarHBondContact OD2-ND1 3.43Å
297	N	92.6	Very high	90.4	Very high	47 Å²	47	51.1 Å²	51.1	25%	0.251	24%	0.243	S	C	.	.	S	Bend	trans	-154.9	169	-179.1	59.6	61.6	0	0	0	111.2	N225 T299 H300 L301	N225-N297 VanDerWaalsContact OD1-CA 3.28Å; N225-N297 WeakPolarHBondContact OD1-CA 3.42Å; N225-N297 WeakPolarHBondContact OD1-CB 3.28Å; N297-T299 VanDerWaalsContact C-N 3.31Å; N297-T299 PolarHBondContact O-N 2.94Å; N297-T299 WeakPolarHBondContact OD1-CB 3.41Å; N297-T299 PolarHBondContact OD1-N 3.37Å; N297-H300 WeakPolarHBondContact O-CB 3.38Å; N297-H300 PolarHBondContact O-N 2.88Å; N297-H300 PolarHBondContact OD1-N 2.89Å; N297-L301 PolarHBondContact O-N 2.78Å; N297-L301 VanDerWaalsContact O-N 3.15Å
298	V	94.4	Very high	90.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-38	-177.2	174.2	0	0	0	0	112.2	N225 L229 W234 V256 F266 L281 V288 H300 L301 I302	N225-V298 PolarHBondContact OD1-N 3.09Å; N225-V298 VanDerWaalsContact OD1-N 3.09Å; L229-V298 HydrophobicContact CD1-CB 4.07Å; L229-V298 HydrophobicContact CD1-CG1 4.28Å; L229-V298 HydrophobicContact CD1-CG2 4.31Å; L229-V298 HydrophobicContact CD2-CB 3.92Å; L229-V298 HydrophobicContact CD2-CG1 3.73Å; L229-V298 HydrophobicContact CG-CB 4.36Å; W234-V298 HydrophobicContact CH2-CG1 4.29Å; W234-V298 HydrophobicContact CZ3-CG1 4.3Å; V256-V298 HydrophobicContact CG1-CG1 4.27Å; F266-V298 HydrophobicContact CB-CG2 4.45Å; F266-V298 HydrophobicContact CD2-CG2 4.01Å; F266-V298 HydrophobicContact CG-CG2 4.36Å; L281-V298 HydrophobicContact CB-CG2 4.43Å; L281-V298 HydrophobicContact CD1-CG1 3.59Å; L281-V298 HydrophobicContact CD1-CG2 4.36Å; V288-V298 HydrophobicContact CG1-CG2 4.06Å; V288-V298 HydrophobicContact CG2-CG2 3.96Å; V298-H300 VanDerWaalsContact C-N 3.34Å; V298-H300 PolarHBondContact O-N 2.85Å; V298-L301 WeakPolarHBondContact O-CB 3.16Å; V298-L301 PolarHBondContact O-N 3.24Å; V298-I302 HydrophobicContact CG1-CG1 4.32Å; V298-I302 WeakPolarHBondContact O-CG1 3.17Å; V298-I302 PolarHBondContact O-N 3.47Å
299	T	94.7	Very high	90.3	Very high	13 Å²	13	62.9 Å²	62.9	8%	0.08	29%	0.289	C	S	.	.	H	α-helix	trans	-60.9	-43.2	176.1	-65.5	0	0	0	0	111.5	E232 N297 I302 N303	E232-T299 WeakPolarHBondContact OE1-CG2 3.48Å; E232-T299 PolarHBondContact OE1-OG1 2.83Å; N297-T299 VanDerWaalsContact C-N 3.31Å; N297-T299 PolarHBondContact O-N 2.94Å; N297-T299 WeakPolarHBondContact OD1-CB 3.41Å; N297-T299 PolarHBondContact OD1-N 3.37Å; T299-I302 PolarHBondContact O-N 3.33Å; T299-N303 WeakPolarHBondContact CG2-ND2 3.18Å; T299-N303 WeakPolarHBondContact O-CB 3.46Å; T299-N303 VanDerWaalsContact O-CG 3.31Å; T299-N303 PolarHBondContact O-N 3.42Å; T299-N303 PolarHBondContact O-ND2 3.5Å
300	H	93.8	Very high	90.2	Very high	69 Å²	69	62.8 Å²	62.8	32%	0.319	29%	0.294	S	S	.	.	H	α-helix	trans	-60.2	-47.1	175.9	-176.5	-173.4	0	0	0	110.8	F295 D296 N297 V298 I302 N303 Y304	F295-H300 HydrophobicContact CB-CB 4.46Å; D296-H300 IonicContact OD2-CE1 3.66Å; D296-H300 PolarHBondContact OD2-CE1 3.17Å; D296-H300 IonicContact OD2-ND1 3.95Å; D296-H300 PolarHBondContact OD2-ND1 3.43Å; N297-H300 WeakPolarHBondContact O-CB 3.38Å; N297-H300 PolarHBondContact O-N 2.88Å; N297-H300 PolarHBondContact OD1-N 2.89Å; V298-H300 VanDerWaalsContact C-N 3.34Å; V298-H300 PolarHBondContact O-N 2.85Å; H300-I302 PolarHBondContact O-N 3.41Å; H300-N303 PolarHBondContact O-N 2.89Å; H300-Y304 VanDerWaalsContact O-CB 3.28Å; H300-Y304 WeakPolarHBondContact O-CB 3.36Å; H300-Y304 PolarHBondContact O-N 2.75Å
301	L	95	Very high	90.3	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-55.1	-52.2	176	-175.7	161.9	0	0	0	112	L281 V288 T290 F295 N297 V298 Y304 H305 I312	L281-L301 HydrophobicContact CD2-CD1 4.16Å; L281-L301 HydrophobicContact CD2-CD2 4.26Å; V288-L301 HydrophobicContact CG1-CB 4.13Å; V288-L301 HydrophobicContact CG1-CD1 3.76Å; T290-L301 HydrophobicContact CG2-CD1 3.88Å; T290-L301 HydrophobicContact CG2-CD2 4.3Å; T290-L301 HydrophobicContact CG2-CG 4.09Å; F295-L301 HydrophobicContact CB-CB 3.99Å; F295-L301 HydrophobicContact CD1-CB 4.12Å; F295-L301 HydrophobicContact CD2-CB 3.65Å; F295-L301 HydrophobicContact CD2-CD1 3.67Å; F295-L301 HydrophobicContact CD2-CG 3.59Å; F295-L301 HydrophobicContact CE2-CB 4.15Å; F295-L301 HydrophobicContact CE2-CD1 3.99Å; F295-L301 HydrophobicContact CE2-CG 3.69Å; F295-L301 HydrophobicContact CG-CB 3.63Å; F295-L301 HydrophobicContact CG-CD1 4.46Å; F295-L301 HydrophobicContact CG-CG 4.11Å; F295-L301 HydrophobicContact CZ-CG 4.27Å; N297-L301 PolarHBondContact O-N 2.78Å; N297-L301 VanDerWaalsContact O-N 3.15Å; V298-L301 WeakPolarHBondContact O-CB 3.16Å; V298-L301 PolarHBondContact O-N 3.24Å; L301-Y304 PolarHBondContact O-N 3.2Å; L301-H305 PolarHBondContact O-CD2 2.94Å; L301-H305 PolarHBondContact O-N 3.49Å; L301-I312 HydrophobicContact CD2-CD1 3.94Å
302	I	95.7	Very high	90.9	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-47.2	-177.8	-64.3	-61.6	0	0	0	110.8	W234 F254 V256 L268 V298 T299 H300 Y304 H305 R306 L321	W234-I302 HydrophobicContact CD2-CG2 4.29Å; W234-I302 HydrophobicContact CE3-CG1 4.43Å; W234-I302 HydrophobicContact CH2-CB 4.07Å; W234-I302 HydrophobicContact CH2-CG1 3.75Å; W234-I302 HydrophobicContact CH2-CG2 4.37Å; W234-I302 HydrophobicContact CZ2-CB 4.01Å; W234-I302 HydrophobicContact CZ2-CG1 4.2Å; W234-I302 HydrophobicContact CZ2-CG2 3.97Å; W234-I302 HydrophobicContact CZ3-CG1 3.9Å; F254-I302 HydrophobicContact CE2-CG2 3.69Å; F254-I302 HydrophobicContact CZ-CG2 3.97Å; V256-I302 HydrophobicContact CG2-CD1 3.89Å; V256-I302 HydrophobicContact CG2-CG1 4.19Å; L268-I302 HydrophobicContact CD1-CD1 3.98Å; L268-I302 HydrophobicContact CD2-CD1 4.17Å; V298-I302 HydrophobicContact CG1-CG1 4.32Å; V298-I302 WeakPolarHBondContact O-CG1 3.17Å; V298-I302 PolarHBondContact O-N 3.47Å; T299-I302 PolarHBondContact O-N 3.33Å; H300-I302 PolarHBondContact O-N 3.41Å; I302-Y304 PolarHBondContact O-N 3.48Å; I302-H305 PolarHBondContact O-N 3.49Å; I302-R306 HydrophobicContact CG2-CG 4.35Å; I302-R306 WeakPolarHBondContact O-CB 3.38Å; I302-R306 VanDerWaalsContact O-CG 3.25Å; I302-R306 WeakPolarHBondContact O-CG 3.4Å; I302-R306 PolarHBondContact O-N 3.44Å; I302-L321 HydrophobicContact CD1-CD1 3.74Å; I302-L321 HydrophobicContact CG2-CD1 4.42Å
303	N	93.6	Very high	91.1	Very high	62 Å²	62	59.4 Å²	59.4	33%	0.332	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-40.3	-179.4	-73.1	-21.4	0	0	0	112	T299 H300 H305 R306 T307	T299-N303 WeakPolarHBondContact CG2-ND2 3.18Å; T299-N303 WeakPolarHBondContact O-CB 3.46Å; T299-N303 VanDerWaalsContact O-CG 3.31Å; T299-N303 PolarHBondContact O-N 3.42Å; T299-N303 PolarHBondContact O-ND2 3.5Å; H300-N303 PolarHBondContact O-N 2.89Å; N303-H305 PolarHBondContact O-N 3.05Å; N303-R306 PolarHBondContact O-N 2.8Å; N303-T307 VanDerWaalsContact O-CB 3.23Å; N303-T307 WeakPolarHBondContact O-CB 3.13Å; N303-T307 PolarHBondContact O-N 3.16Å; N303-T307 PolarHBondContact O-OG1 3.4Å
304	Y	92.4	Very high	90.5	Very high	58 Å²	58	58.3 Å²	58.3	23%	0.227	28%	0.281	C	S	.	.	H	α-helix	trans	-58.1	-50.6	177.7	178.3	-94.6	0	0	0	111.7	Q293 F295 H300 L301 I302 H308 L310	Q293-Y304 VanDerWaalsContact OE1-CZ 3.25Å; Q293-Y304 PolarHBondContact OE1-OH 2.96Å; F295-Y304 AromaticContact CE1-CD1 3.6Å; F295-Y304 HydrophobicContact CE1-CD1 3.6Å; F295-Y304 HydrophobicContact CE1-CD2 4.33Å; F295-Y304 HydrophobicContact CE1-CE1 4.32Å; F295-Y304 AromaticContact CE1-CG 3.6Å; F295-Y304 HydrophobicContact CE1-CG 3.6Å; F295-Y304 AromaticContact CZ-CD1 3.8Å; F295-Y304 HydrophobicContact CZ-CD1 3.8Å; F295-Y304 HydrophobicContact CZ-CE1 4.33Å; F295-Y304 HydrophobicContact CZ-CG 4.28Å; H300-Y304 VanDerWaalsContact O-CB 3.28Å; H300-Y304 WeakPolarHBondContact O-CB 3.36Å; H300-Y304 PolarHBondContact O-N 2.75Å; L301-Y304 PolarHBondContact O-N 3.2Å; I302-Y304 PolarHBondContact O-N 3.48Å; Y304-H308 AromaticContact CD2-CE1 3.57Å; Y304-H308 AromaticContact CD2-ND1 3.52Å; Y304-H308 AromaticContact CE2-CE1 3.69Å; Y304-H308 AromaticContact CE2-ND1 3.7Å; Y304-H308 AromaticContact CG-ND1 3.94Å; Y304-H308 WeakPolarHBondContact O-CB 3.48Å; Y304-H308 PolarHBondContact O-N 3.28Å; Y304-H308 VanDerWaalsContact O-N 3.13Å; Y304-H308 PolarHBondContact O-ND1 3.41Å; Y304-L310 HydrophobicContact CE1-CD1 3.81Å
305	H	92.7	Very high	89.4	Confident	11 Å²	11	54.4 Å²	54.4	5%	0.051	27%	0.27	C	S	.	.	H	α-helix	trans	-68.5	-35	-179.1	-81.7	-77.9	0	0	0	113.2	F295 L301 I302 N303 R309 L310 I312 L321	F295-H305 AromaticContact CZ-NE2 3.82Å; L301-H305 PolarHBondContact O-CD2 2.94Å; L301-H305 PolarHBondContact O-N 3.49Å; I302-H305 PolarHBondContact O-N 3.49Å; N303-H305 PolarHBondContact O-N 3.05Å; H305-R309 WeakPolarHBondContact O-CA 3.15Å; H305-R309 PolarHBondContact O-N 3.34Å; H305-R309 VanDerWaalsContact O-N 3.12Å; H305-L310 PolarHBondContact ND1-O 3.33Å; H305-L310 PolarHBondContact O-N 3.36Å; H305-I312 HydrophobicContact CB-CD1 4.35Å; H305-I312 HydrophobicContact CB-CG1 4.11Å; H305-I312 VanDerWaalsContact CG-CG1 3.44Å; H305-I312 WeakPolarHBondContact ND1-CG1 3.12Å; H305-L321 HydrophobicContact CB-CD1 4.18Å
306	R	94	Very high	88.2	Confident	84 Å²	84	60.4 Å²	60.4	32%	0.317	30%	0.298	S	S	.	.	H	α-helix	trans	-69.7	-50.3	175.8	-71	-179.7	81.1	-160.5	-1.5	112.5	F254 I302 N303 R309 L321	F254-R306 HydrophobicContact CE1-CG 4.3Å; F254-R306 VanDerWaalsContact CZ-CD 3.44Å; F254-R306 HydrophobicContact CZ-CG 4.28Å; I302-R306 HydrophobicContact CG2-CG 4.35Å; I302-R306 WeakPolarHBondContact O-CB 3.38Å; I302-R306 VanDerWaalsContact O-CG 3.25Å; I302-R306 WeakPolarHBondContact O-CG 3.4Å; I302-R306 PolarHBondContact O-N 3.44Å; N303-R306 PolarHBondContact O-N 2.8Å; R306-R309 PolarHBondContact O-N 3.32Å; R306-L321 HydrophobicContact CG-CB 3.65Å; R306-L321 HydrophobicContact CG-CD1 4.47Å
307	T	91.4	Very high	87.3	Confident	108 Å²	108	56 Å²	56	66%	0.663	28%	0.276	S	S	*	.	H	α-helix	trans	-64.2	-44.7	-175.4	-62.4	0	0	0	0	111.3	N303 R309	N303-T307 VanDerWaalsContact O-CB 3.23Å; N303-T307 WeakPolarHBondContact O-CB 3.13Å; N303-T307 PolarHBondContact O-N 3.16Å; N303-T307 PolarHBondContact O-OG1 3.4Å; T307-R309 VanDerWaalsContact C-N 3.29Å; T307-R309 PolarHBondContact O-N 3.13Å
308	H	88.2	Confident	86.9	Confident	108 Å²	108	55.1 Å²	55.1	50%	0.5	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-2.9	179.5	-58.3	94.4	0	0	0	113.3	Y304 L310	Y304-H308 AromaticContact CD2-CE1 3.57Å; Y304-H308 AromaticContact CD2-ND1 3.52Å; Y304-H308 AromaticContact CE2-CE1 3.69Å; Y304-H308 AromaticContact CE2-ND1 3.7Å; Y304-H308 AromaticContact CG-ND1 3.94Å; Y304-H308 WeakPolarHBondContact O-CB 3.48Å; Y304-H308 PolarHBondContact O-N 3.28Å; Y304-H308 VanDerWaalsContact O-N 3.13Å; Y304-H308 PolarHBondContact O-ND1 3.41Å; H308-L310 HydrophobicContact CB-CD1 3.7Å; H308-L310 HydrophobicContact CB-CG 3.67Å; H308-L310 PolarHBondContact O-N 3.23Å
309	R	89.5	Confident	86.7	Confident	205 Å²	205	55.1 Å²	55.1	77%	0.774	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	38.6	-174.7	-58.5	-177	176.2	-173.8	-0.7	112.5	H305 R306 T307 L320	H305-R309 WeakPolarHBondContact O-CA 3.15Å; H305-R309 PolarHBondContact O-N 3.34Å; H305-R309 VanDerWaalsContact O-N 3.12Å; R306-R309 PolarHBondContact O-N 3.32Å; T307-R309 VanDerWaalsContact C-N 3.29Å; T307-R309 PolarHBondContact O-N 3.13Å; R309-L320 WeakPolarHBondContact O-CD1 3.33Å
310	L	88	Confident	86.6	Confident	70 Å²	70	55.9 Å²	55.9	37%	0.366	28%	0.278	S	S	.	.			trans	-92.4	129.5	179.7	-66.6	174.6	0	0	0	109.3	Y304 H305 H308	Y304-L310 HydrophobicContact CE1-CD1 3.81Å; H305-L310 PolarHBondContact ND1-O 3.33Å; H305-L310 PolarHBondContact O-N 3.36Å; H308-L310 HydrophobicContact CB-CD1 3.7Å; H308-L310 HydrophobicContact CB-CG 3.67Å; H308-L310 PolarHBondContact O-N 3.23Å
311	P	90	Very high	86.6	Confident	50 Å²	50	52.8 Å²	52.8	33%	0.325	26%	0.264	S	S	.	.			trans	-64.7	145.8	174.2	27.8	-32.8	0	0	0	110.7	T313 A318 L319	P311-T313 HydrophobicContact CG-CG2 4.34Å; P311-A318 HydrophobicContact CB-CB 3.84Å; P311-A318 HydrophobicContact CG-CB 4.5Å; P311-L319 CarbonylContact C-O 3.58Å; P311-L319 WeakPolarHBondContact CA-O 3.43Å
312	I	90.1	Very high	86.5	Confident	7 Å²	7	59.9 Å²	59.9	4%	0.036	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	111.1	163	-59.7	170	0	0	0	106.9	L268 L279 T290 L301 H305 L319 L321	L268-I312 HydrophobicContact CD2-CD1 3.45Å; L268-I312 VanDerWaalsContact CD2-CD1 3.45Å; L279-I312 HydrophobicContact CD1-CB 4.13Å; L279-I312 HydrophobicContact CD1-CG2 3.55Å; T290-I312 HydrophobicContact CG2-CG1 4.29Å; T290-I312 HydrophobicContact CG2-CG2 3.74Å; L301-I312 HydrophobicContact CD2-CD1 3.94Å; H305-I312 HydrophobicContact CB-CD1 4.35Å; H305-I312 HydrophobicContact CB-CG1 4.11Å; H305-I312 VanDerWaalsContact CG-CG1 3.44Å; H305-I312 WeakPolarHBondContact ND1-CG1 3.12Å; I312-L319 PolarHBondContact N-O 2.96Å; I312-L319 PolarHBondContact O-N 2.93Å; I312-L321 HydrophobicContact CD1-CD1 3.7Å; I312-L321 HydrophobicContact CD1-CD2 4.42Å; I312-L321 HydrophobicContact CD1-CG 4.11Å
313	T	81.7	Confident	86.5	Confident	37 Å²	37	63.8 Å²	63.8	23%	0.227	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	135.4	-177.2	52.5	0	0	0	0	111.3	P311 A318	P311-T313 HydrophobicContact CG-CG2 4.34Å; T313-A318 HydrophobicContact CG2-CB 4.4Å
314	S	71.9	Confident	86.6	Confident	42 Å²	42	62.2 Å²	62.2	29%	0.294	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	173.6	164.5	75.2	0	0	0	0	109	E316 S317	S314-E316 PolarHBondContact O-N 3Å; S314-S317 PolarHBondContact N-O 3.47Å; S314-S317 PolarHBondContact O-N 3.3Å; S314-S317 PolarHBondContact OG-O 3.35Å; S314-S317 PolarHBondContact OG-OG 3.13Å
315	L	66.1	Low	86.7	Confident	48 Å²	48	60.3 Å²	60.3	25%	0.251	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-33.7	-173.2	178.8	65.7	0	0	0	114.2	R167 H170 A171 C174	R167-L315 VanDerWaalsContact NH2-CD2 3.28Å; H170-L315 VanDerWaalsContact C-CD1 3.46Å; H170-L315 HydrophobicContact CB-CD1 4.38Å; H170-L315 WeakPolarHBondContact O-CD1 3.45Å; A171-L315 HydrophobicContact CB-CD1 4.4Å; A171-L315 HydrophobicContact CB-CD2 4.41Å; C174-L315 HydrophobicContact CB-CD1 4.08Å
316	E	67.8	Low	86.7	Confident	137 Å²	137	63.5 Å²	63.5	64%	0.64	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.9	12.9	-173	-60.7	174.9	-169.6	0	0	112.8	R167 S314	R167-E316 IonicContact NH2-OE1 3.86Å; R167-E316 PolarHBondContact NH2-OE1 2.81Å; R167-E316 VanDerWaalsContact NH2-OE1 3.12Å; S314-E316 PolarHBondContact O-N 3Å
317	S	69.3	Low	86.4	Confident	20 Å²	20	62.2 Å²	62.2	14%	0.14	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	152.4	-178.5	68.7	0	0	0	0	114.7	S314	S314-S317 PolarHBondContact N-O 3.47Å; S314-S317 PolarHBondContact O-N 3.3Å; S314-S317 PolarHBondContact OG-O 3.35Å; S314-S317 PolarHBondContact OG-OG 3.13Å
318	A	84.5	Confident	85.6	Confident	28 Å²	28	63.9 Å²	63.9	23%	0.231	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.2	168.7	0	0	0	0	0	108	Q272 P311 T313	Q272-A318 WeakPolarHBondContact CG-O 3.49Å; P311-A318 HydrophobicContact CB-CB 3.84Å; P311-A318 HydrophobicContact CG-CB 4.5Å; T313-A318 HydrophobicContact CG2-CB 4.4Å
319	L	90.9	Very high	84.9	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	115	177.9	177.6	64.2	0	0	0	109.7	L268 Q272 R277 L279 P311 I312 L321	L268-L319 HydrophobicContact CD2-CD2 4.03Å; L268-L319 HydrophobicContact CG-CD2 4.11Å; Q272-L319 HydrophobicContact CB-CD1 4.15Å; R277-L319 HydrophobicContact CB-CD1 4.35Å; R277-L319 HydrophobicContact CB-CD2 4.21Å; R277-L319 HydrophobicContact CG-CD1 4.41Å; L279-L319 HydrophobicContact CD1-CD2 4.13Å; P311-L319 CarbonylContact C-O 3.58Å; P311-L319 WeakPolarHBondContact CA-O 3.43Å; I312-L319 PolarHBondContact N-O 2.96Å; I312-L319 PolarHBondContact O-N 2.93Å; L319-L321 HydrophobicContact CD2-CD2 3.85Å; L319-L321 HydrophobicContact CG-CD2 3.84Å
320	L	92.4	Very high	83.6	Confident	29 Å²	29	66 Å²	66	15%	0.152	34%	0.338	C	S	.	.			trans	-96.4	120.5	177.2	-175.1	61.2	0	0	0	110.6	G252 R309 R322	G252-L320 WeakPolarHBondContact CA-O 3.31Å; R309-L320 WeakPolarHBondContact O-CD1 3.33Å; L320-R322 HydrophobicContact CD2-CG 4.26Å; L320-R322 VanDerWaalsContact CD2-NH2 3.35Å; L320-R322 HydrophobicContact CG-CG 4.06Å; L320-R322 PolarHBondContact O-N 2.74Å
321	L	94.3	Very high	82.4	Confident	5 Å²	5	68.2 Å²	68.2	3%	0.026	35%	0.35	C	S	.	.			trans	-84.5	102.7	-177.9	-52.6	-172.1	0	0	0	110.5	F254 L268 I302 H305 R306 I312 L319	F254-L321 HydrophobicContact CB-CD2 3.78Å; F254-L321 HydrophobicContact CD1-CB 3.84Å; F254-L321 HydrophobicContact CD1-CD2 4.14Å; F254-L321 HydrophobicContact CD1-CG 4.49Å; F254-L321 HydrophobicContact CD2-CD1 4.48Å; F254-L321 HydrophobicContact CD2-CD2 4.29Å; F254-L321 HydrophobicContact CE1-CB 3.99Å; F254-L321 HydrophobicContact CG-CB 4.29Å; F254-L321 HydrophobicContact CG-CD2 3.79Å; F254-L321 HydrophobicContact CG-CG 4.46Å; L268-L321 HydrophobicContact CD1-CD2 4.14Å; L268-L321 HydrophobicContact CD2-CD1 4.19Å; L268-L321 HydrophobicContact CD2-CD2 4.01Å; I302-L321 HydrophobicContact CD1-CD1 3.74Å; I302-L321 HydrophobicContact CG2-CD1 4.42Å; H305-L321 HydrophobicContact CB-CD1 4.18Å; R306-L321 HydrophobicContact CG-CB 3.65Å; R306-L321 HydrophobicContact CG-CD1 4.47Å; I312-L321 HydrophobicContact CD1-CD1 3.7Å; I312-L321 HydrophobicContact CD1-CD2 4.42Å; I312-L321 HydrophobicContact CD1-CG 4.11Å; L319-L321 HydrophobicContact CD2-CD2 3.85Å; L319-L321 HydrophobicContact CG-CD2 3.84Å
322	R	92.3	Very high	82	Confident	148 Å²	148	69.1 Å²	69.1	56%	0.558	35%	0.351	S	S	*	.			trans	-107.6	-60.9	-179.5	-62.2	-178.8	175.9	174.4	-1.1	111	G252 L320	G252-R322 PolarHBondContact O-N 3.23Å; L320-R322 HydrophobicContact CD2-CG 4.26Å; L320-R322 VanDerWaalsContact CD2-NH2 3.35Å; L320-R322 HydrophobicContact CG-CG 4.06Å; L320-R322 PolarHBondContact O-N 2.74Å
323	N	94.4	Very high	81.6	Confident	82 Å²	82	72.4 Å²	72.4	44%	0.439	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	111.5	-169.9	-48.4	-40.8	0	0	0	109.7	G252 D253 F254 V325	G252-N323 PolarHBondContact O-N 2.98Å; D253-N323 CarbonylContact C-O 3.58Å; D253-N323 WeakPolarHBondContact CA-O 3.49Å; D253-N323 VanDerWaalsContact OD1-CB 3.23Å; D253-N323 WeakPolarHBondContact OD1-CB 3.33Å; D253-N323 PolarHBondContact OD1-ND2 3.27Å; F254-N323 WeakPolarHBondContact CD1-O 3.37Å; F254-N323 PolarHBondContact N-O 2.72Å; N323-V325 PolarHBondContact O-N 3.43Å
324	A	95.9	Very high	81.6	Confident	30 Å²	30	74.3 Å²	74.3	25%	0.248	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	117.6	171.4	0	0	0	0	0	108.8	W234 F254 P326	W234-A324 HydrophobicContact CB-CB 3.9Å; W234-A324 HydrophobicContact CG-CB 4.35Å; F254-A324 VanDerWaalsContact CE1-CA 3.46Å; F254-A324 HydrophobicContact CE1-CB 3.92Å; F254-A324 HydrophobicContact CZ-CB 3.68Å; A324-P326 VanDerWaalsContact O-CD 3.28Å; A324-P326 WeakPolarHBondContact O-CD 3.21Å
325	V	95.4	Very high	82.2	Confident	18 Å²	18	76.2 Å²	76.2	11%	0.109	38%	0.38	C	S	.	.			trans	-77.2	111.6	173.2	178.8	0	0	0	0	108.3	H236 L247 V248 D253 F254 L255 N323	H236-V325 PolarHBondContact NE2-O 3.24Å; L247-V325 HydrophobicContact CB-CG1 4.11Å; L247-V325 WeakPolarHBondContact O-CG1 3.45Å; V248-V325 HydrophobicContact CG2-CG2 4.24Å; D253-V325 HydrophobicContact CB-CG2 3.86Å; F254-V325 PolarHBondContact O-N 2.82Å; L255-V325 HydrophobicContact CB-CB 4.34Å; N323-V325 PolarHBondContact O-N 3.43Å
326	P	91.5	Very high	83.2	Confident	78 Å²	78	78 Å²	78	51%	0.506	39%	0.389	S	S	.	.			trans	-71.1	143	-176	30.5	-34.4	0	0	0	110.9	P233 A324	P233-P326 CarbonylContact O-C 3.53Å; P233-P326 WeakPolarHBondContact O-CA 3.49Å; A324-P326 VanDerWaalsContact O-CD 3.28Å; A324-P326 WeakPolarHBondContact O-CD 3.21Å
327	R	89.7	Confident	84.2	Confident	57 Å²	57	74.1 Å²	74.1	22%	0.215	37%	0.372	C	S	.	.			trans	-67.8	139.2	167.3	73.7	-172.7	-178.3	-157.7	1.2	109.6	K230 E232 P233 F235 H236 H329	K230-R327 PolarHBondContact O-NH1 3.18Å; K230-R327 PolarHBondContact O-NH2 2.75Å; E232-R327 PolarHBondContact O-NH1 2.8Å; P233-R327 PolarHBondContact O-N 2.97Å; F235-R327 WeakPolarHBondContact O-CD 3.47Å; H236-R327 PolarHBondContact NE2-N 3.21Å; R327-H329 WeakPolarHBondContact CD-O 3.38Å; R327-H329 WeakPolarHBondContact CG-O 3.43Å
328	L	74.5	Confident	85.3	Confident	142 Å²	142	77.9 Å²	77.9	74%	0.743	39%	0.388	S	S	*	.	S	Bend	trans	-84.3	-22.2	179.9	-63.5	175.3	0	0	0	113
329	H	72.2	Confident	85.3	Confident	155 Å²	155	81.8 Å²	81.8	72%	0.718	40%	0.4	S	S	*	.	S	Bend	trans	-127.3	150.9	-176.2	-56.4	109.3	0	0	0	111.8	R327	R327-H329 WeakPolarHBondContact CD-O 3.38Å; R327-H329 WeakPolarHBondContact CG-O 3.43Å
330	K	62	Low	84.8	Confident	202 Å²	202	88.6 Å²	88.6	88%	0.878	43%	0.434	S	S	*	.			trans	-70	140.3	171	-73.2	-173.1	178.4	-178.2	0	109.8
331	L	63.5	Low	84.2	Confident	117 Å²	117	94 Å²	94	61%	0.613	46%	0.459	S	S	*	.			trans	-79	0	-179.4	-68.6	178	0	0	0	114	K230 F235	K230-L331 HydrophobicContact CG-CD1 4.36Å; F235-L331 HydrophobicContact CD1-CD1 3.28Å; F235-L331 HydrophobicContact CE1-CD1 3.36Å; F235-L331 HydrophobicContact CG-CD1 4.39Å

Retrieved 331 of 331 residues in 146.1 ms (Link to these results)

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