A0A077ZI47_TRITR Loading...

Ricin B lectin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZI47, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 445 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	43.5	Very low	53	Low	165 Å²	165	92.5 Å²	92.5	81%	0.813	48%	0.481	S	S	*	.				0	134.6	0	-175.1	179.9	-169.4	0	0	108.2	V3 T22 L23 S24	M1-V3 HydrophobicContact CE-CG2 4.47Å; M1-V3 HydrophobicContact CG-CG2 4.41Å; M1-T22 PolarHBondContact N-O 2.96Å; M1-L23 HydrophobicContact CB-CD1 4.14Å; M1-S24 PolarHBondContact O-N 3.18Å
2	S	47.9	Very low	52.4	Low	102 Å²	102	92.7 Å²	92.7	71%	0.713	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.8	179.2	58.3	0	0	0	0	110.7	S24	S2-S24 CarbonylContact C-O 3.57Å; S2-S24 VanDerWaalsContact CA-O 3.3Å; S2-S24 WeakPolarHBondContact CA-O 3.47Å
3	V	53.6	Low	52.2	Low	29 Å²	29	88.2 Å²	88.2	18%	0.176	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.5	177.3	-174.6	0	0	0	0	108.6	M1 C6 S24 V25 L26	M1-V3 HydrophobicContact CE-CG2 4.47Å; M1-V3 HydrophobicContact CG-CG2 4.41Å; V3-C6 HydrophobicContact CG1-CB 3.89Å; V3-C6 WeakPolarHBondContact CG1-SG 3.28Å; V3-S24 PolarHBondContact N-O 3.41Å; V3-V25 HydrophobicContact CB-CG1 4.49Å; V3-V25 HydrophobicContact CB-CG2 4.42Å; V3-V25 WeakPolarHBondContact O-CA 3.42Å; V3-L26 PolarHBondContact O-N 3.36Å
4	Q	54	Low	51.4	Low	151 Å²	151	93.2 Å²	93.2	71%	0.706	47%	0.467	S	S	*	.	S	Bend	trans	-91	-33.6	-175	-73.4	-167.1	-15.8	0	0	113.8	R27	Q4-R27 PolarHBondContact O-N 3.37Å
5	R	57.2	Low	50.6	Low	196 Å²	196	94.4 Å²	94.4	74%	0.74	48%	0.475	S	S	*	.			trans	-149.8	140.6	174.2	-75.4	-171	-176.8	178.1	-1.5	109.1	R27	R5-R27 VanDerWaalsContact CA-O 3.26Å; R5-R27 WeakPolarHBondContact CA-O 3.13Å; R5-R27 HydrophobicContact CG-CB 4.46Å
6	C	59.5	Low	49.9	Very low	21 Å²	21	102.9 Å²	102.9	14%	0.142	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	147.2	178.7	31.3	0	0	0	0	109.1	V3 V9 R27 C28 D29	V3-C6 HydrophobicContact CG1-CB 3.89Å; V3-C6 WeakPolarHBondContact CG1-SG 3.28Å; C6-V9 HydrophobicContact CB-CG2 3.62Å; C6-V9 WeakPolarHBondContact SG-CG2 3.29Å; C6-R27 PolarHBondContact N-O 2.84Å; C6-R27 PolarHBondContact SG-O 2.86Å; C6-C28 HydrophobicContact CB-CB 4.39Å; C6-C28 WeakPolarHBondContact CB-SG 3.34Å; C6-C28 WeakPolarHBondContact O-CA 3.31Å; C6-C28 VanDerWaalsContact SG-CA 3.58Å; C6-C28 WeakPolarHBondContact SG-CB 3.32Å; C6-C28 CovalentContact SG-SG 2.02Å; C6-C28 PolarHBondContact SG-SG 3.26Å; C6-D29 PolarHBondContact O-N 3.13Å; C6-D29 VanDerWaalsContact O-N 3.15Å
7	D	50.3	Low	49.2	Very low	127 Å²	127	106.8 Å²	106.8	68%	0.679	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	-47.7	170.4	-53.2	-21	0	0	0	107.9	D29 D30	D7-D29 WeakPolarHBondContact O-CB 3.27Å; D7-D29 PolarHBondContact O-N 2.91Å; D7-D30 PolarHBondContact O-N 2.8Å
8	D	52.4	Low	49	Very low	103 Å²	103	102.3 Å²	102.3	55%	0.551	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.3	176.9	-88.9	-62.1	0	0	0	111.3	D30	D8-D30 CarbonylContact C-O 3.52Å; D8-D30 WeakPolarHBondContact CA-O 3.4Å; D8-D30 WeakPolarHBondContact OD1-CB 3.31Å
9	V	55.5	Low	48.6	Very low	21 Å²	21	100.1 Å²	100.1	13%	0.127	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	107.5	165.2	167.1	0	0	0	0	110.4	C6 P11 L23 C28 D30 I31 T32	C6-V9 HydrophobicContact CB-CG2 3.62Å; C6-V9 WeakPolarHBondContact SG-CG2 3.29Å; V9-P11 HydrophobicContact CG1-CG 4.21Å; V9-P11 WeakPolarHBondContact O-CD 3.31Å; V9-L23 HydrophobicContact CG1-CD2 4.49Å; V9-C28 WeakPolarHBondContact CG2-SG 3.37Å; V9-D30 PolarHBondContact N-O 3.28Å; V9-I31 WeakPolarHBondContact O-CA 3.11Å; V9-T32 PolarHBondContact O-N 3.28Å; V9-T32 VanDerWaalsContact O-N 3.11Å
10	T	57.5	Low	48.6	Very low	73 Å²	73	101.7 Å²	101.7	45%	0.448	51%	0.514	S	S	.	.			trans	-110.5	79.4	172.9	-29.8	0	0	0	0	111.4	Q12 T32	T10-Q12 HydrophobicContact CG2-CG 4.46Å; T10-Q12 PolarHBondContact O-N 3.47Å; T10-T32 VanDerWaalsContact CA-O 3.25Å; T10-T32 WeakPolarHBondContact CA-O 3.1Å; T10-T32 HydrophobicContact CG2-CG2 4.46Å; T10-T32 WeakPolarHBondContact CG2-O 2.96Å
11	P	51	Low	48.3	Very low	30 Å²	30	100 Å²	100	20%	0.195	51%	0.508	C	S	.	.			trans	-73.2	98.1	-179.4	27.9	-27.8	0	0	0	108.9	V9 V13 L23 T32 T33	V9-P11 HydrophobicContact CG1-CG 4.21Å; V9-P11 WeakPolarHBondContact O-CD 3.31Å; P11-V13 PolarHBondContact O-N 3.03Å; P11-L23 HydrophobicContact CG-CD2 4.49Å; P11-T32 WeakPolarHBondContact CD-O 3.14Å; P11-T33 HydrophobicContact CG-CG2 4.35Å
12	Q	46.3	Very low	48.5	Very low	94 Å²	94	95.9 Å²	95.9	44%	0.439	49%	0.493	S	S	.	.			trans	-83	105.5	172	-62.2	-146.7	-6.8	0	0	110	T10 E34	T10-Q12 HydrophobicContact CG2-CG 4.46Å; T10-Q12 PolarHBondContact O-N 3.47Å; Q12-E34 PolarHBondContact NE2-OE2 3.12Å
13	V	50.2	Low	48.5	Very low	34 Å²	34	91.6 Å²	91.6	21%	0.206	46%	0.462	C	S	.	.	B	Isolated β-bridge	trans	-92.6	108.1	174.8	-176.8	0	0	0	0	108.9	P11 M35	P11-V13 PolarHBondContact O-N 3.03Å; V13-M35 HydrophobicContact CB-CG 3.89Å; V13-M35 HydrophobicContact CB-SD 4.42Å; V13-M35 HydrophobicContact CG2-CG 4.45Å
14	W	41.2	Very low	48.3	Very low	159 Å²	159	92.6 Å²	92.6	60%	0.602	47%	0.47	S	S	*	.			trans	-110.4	72.6	177.8	-74.7	88.7	0	0	0	111.1
15	L	38.5	Very low	48.2	Very low	111 Å²	111	85.6 Å²	85.6	58%	0.581	44%	0.438	S	S	*	.			trans	-142	129.8	180	-77.4	167	0	0	0	113	Q17 C38	L15-Q17 PolarHBondContact O-N 2.8Å; L15-Q17 VanDerWaalsContact O-N 3.16Å; L15-C38 PolarHBondContact O-SG 2.79Å
16	R	39.2	Very low	47.8	Very low	230 Å²	230	80.1 Å²	80.1	87%	0.868	42%	0.422	S	S	*	.	S	Bend	trans	-63.8	-16.8	179	-87.3	-174.8	173.4	-173.2	-1.3	114.1
17	Q	39.1	Very low	47.5	Very low	169 Å²	169	85 Å²	85	79%	0.79	44%	0.438	S	S	*	.	B	Isolated β-bridge	trans	-149.8	127.9	175.3	-71.3	176.9	-18.1	0	0	108	L15	L15-Q17 PolarHBondContact O-N 2.8Å; L15-Q17 VanDerWaalsContact O-N 3.16Å
18	C	45.4	Very low	47.5	Very low	27 Å²	27	79.1 Å²	79.1	18%	0.182	41%	0.407	C	S	.	.			trans	-113.4	142.9	172.8	-10.7	0	0	0	0	109.8	C40	C18-C40 VanDerWaalsContact CA-SG 3.5Å; C18-C40 HydrophobicContact CB-CB 3.59Å; C18-C40 WeakPolarHBondContact CB-SG 3.39Å; C18-C40 PolarHBondContact N-SG 3.14Å; C18-C40 WeakPolarHBondContact SG-CB 3.35Å; C18-C40 CovalentContact SG-SG 2.05Å; C18-C40 PolarHBondContact SG-SG 2.79Å
19	G	41.7	Very low	47.4	Very low	59 Å²	59	77.8 Å²	77.8	61%	0.608	40%	0.4	S	S	*	.			trans	-86.3	174.7	150.4	0	0	0	0	0	110.3	V21	G19-V21 WeakPolarHBondContact O-CG2 3.47Å; G19-V21 PolarHBondContact O-N 3.06Å
20	D	47.3	Very low	47	Very low	132 Å²	132	79.5 Å²	79.5	71%	0.706	41%	0.408	S	S	*	.			trans	-49.1	121.1	-176.6	-54.4	-25.1	0	0	0	111.9
21	V	43.6	Very low	46.8	Very low	66 Å²	66	76.2 Å²	76.2	40%	0.4	39%	0.388	S	S	.	.			trans	-110.2	102.6	177.4	-177.1	0	0	0	0	109.2	G19	G19-V21 WeakPolarHBondContact O-CG2 3.47Å; G19-V21 PolarHBondContact O-N 3.06Å
22	T	46.7	Very low	46.9	Very low	80 Å²	80	76.7 Å²	76.7	49%	0.491	39%	0.39	S	S	.	.			trans	-91.4	117	170.8	-36	0	0	0	0	110.1	M1	M1-T22 PolarHBondContact N-O 2.96Å
23	L	48.6	Very low	47.2	Very low	11 Å²	11	73 Å²	73	6%	0.058	37%	0.374	C	S	.	.			trans	-102.9	132.3	168.4	-158.9	88.2	0	0	0	107.9	M1 V9 P11 V25 K45	M1-L23 HydrophobicContact CB-CD1 4.14Å; V9-L23 HydrophobicContact CG1-CD2 4.49Å; P11-L23 HydrophobicContact CG-CD2 4.49Å; L23-V25 HydrophobicContact CD2-CG2 3.56Å; L23-V25 HydrophobicContact CG-CG2 3.99Å; L23-K45 HydrophobicContact CB-CD 4.35Å; L23-K45 HydrophobicContact CB-CG 4.38Å
24	S	48.5	Very low	46.9	Very low	50 Å²	50	74.1 Å²	74.1	35%	0.35	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	107.4	173.4	-57.7	0	0	0	0	108.6	M1 S2 V3	M1-S24 PolarHBondContact O-N 3.18Å; S2-S24 CarbonylContact C-O 3.57Å; S2-S24 VanDerWaalsContact CA-O 3.3Å; S2-S24 WeakPolarHBondContact CA-O 3.47Å; V3-S24 PolarHBondContact N-O 3.41Å
25	V	52.3	Low	47	Very low	5 Å²	5	68.1 Å²	68.1	3%	0.03	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.2	178.8	-173.4	0	0	0	0	108.8	V3 L23 C28 I31 E47 Q48	V3-V25 HydrophobicContact CB-CG1 4.49Å; V3-V25 HydrophobicContact CB-CG2 4.42Å; V3-V25 WeakPolarHBondContact O-CA 3.42Å; L23-V25 HydrophobicContact CD2-CG2 3.56Å; L23-V25 HydrophobicContact CG-CG2 3.99Å; V25-C28 HydrophobicContact CG1-CB 3.7Å; V25-I31 HydrophobicContact CB-CD1 4.28Å; V25-I31 HydrophobicContact CG1-CD1 4.07Å; V25-E47 HydrophobicContact CB-CG 4.33Å; V25-Q48 PolarHBondContact O-N 2.83Å
26	L	49.7	Very low	47	Very low	80 Å²	80	68 Å²	68	42%	0.419	35%	0.348	S	S	.	.	S	Bend	trans	-96.6	-38.7	-172	-135.1	137.3	0	0	0	112.6	V3	V3-L26 PolarHBondContact O-N 3.36Å
27	R	52.3	Low	46.8	Very low	125 Å²	125	63 Å²	63	47%	0.472	34%	0.338	S	S	.	.			trans	-151.1	130.9	169.6	-74.8	-172	178.2	176.8	-3.5	109	Q4 R5 C6	Q4-R27 PolarHBondContact O-N 3.37Å; R5-R27 VanDerWaalsContact CA-O 3.26Å; R5-R27 WeakPolarHBondContact CA-O 3.13Å; R5-R27 HydrophobicContact CG-CB 4.46Å; C6-R27 PolarHBondContact N-O 2.84Å; C6-R27 PolarHBondContact SG-O 2.86Å
28	C	50.2	Low	46.6	Very low	3 Å²	3	55.3 Å²	55.3	2%	0.02	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	141.9	175.4	-129.3	0	0	0	0	108.4	C6 V9 V25 I31 R49 C50 D51	C6-C28 HydrophobicContact CB-CB 4.39Å; C6-C28 WeakPolarHBondContact CB-SG 3.34Å; C6-C28 WeakPolarHBondContact O-CA 3.31Å; C6-C28 VanDerWaalsContact SG-CA 3.58Å; C6-C28 WeakPolarHBondContact SG-CB 3.32Å; C6-C28 CovalentContact SG-SG 2.02Å; C6-C28 PolarHBondContact SG-SG 3.26Å; V9-C28 WeakPolarHBondContact CG2-SG 3.37Å; V25-C28 HydrophobicContact CG1-CB 3.7Å; C28-I31 HydrophobicContact CB-CD1 3.8Å; C28-I31 HydrophobicContact CB-CG1 3.65Å; C28-R49 PolarHBondContact N-O 2.89Å; C28-C50 WeakPolarHBondContact O-CA 3.37Å; C28-C50 WeakPolarHBondContact O-CB 3.37Å; C28-D51 PolarHBondContact O-N 2.73Å
29	D	49.9	Very low	46.3	Very low	75 Å²	75	60.9 Å²	60.9	40%	0.401	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-58.6	175.3	-54	-13.4	0	0	0	107.8	C6 D7 D51 D52	C6-D29 PolarHBondContact O-N 3.13Å; C6-D29 VanDerWaalsContact O-N 3.15Å; D7-D29 WeakPolarHBondContact O-CB 3.27Å; D7-D29 PolarHBondContact O-N 2.91Å; D29-D51 CarbonylContact O-C 3.58Å; D29-D51 WeakPolarHBondContact O-CA 3.48Å; D29-D51 VanDerWaalsContact O-CB 3.26Å; D29-D51 WeakPolarHBondContact O-CB 3.33Å; D29-D51 PolarHBondContact O-N 2.77Å; D29-D52 PolarHBondContact O-N 2.91Å
30	D	48.6	Very low	46.1	Very low	56 Å²	56	58.9 Å²	58.9	30%	0.299	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.3	179.5	-73.3	-20.1	0	0	0	113.4	D7 D8 V9 D52	D7-D30 PolarHBondContact O-N 2.8Å; D8-D30 CarbonylContact C-O 3.52Å; D8-D30 WeakPolarHBondContact CA-O 3.4Å; D8-D30 WeakPolarHBondContact OD1-CB 3.31Å; V9-D30 PolarHBondContact N-O 3.28Å; D30-D52 WeakPolarHBondContact OD1-CB 3.27Å
31	I	53.6	Low	45.6	Very low	4 Å²	4	56.4 Å²	56.4	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	106.6	172.1	-54.1	-179.9	0	0	0	110.2	V9 V25 C28 C50 D52 N54	V9-I31 WeakPolarHBondContact O-CA 3.11Å; V25-I31 HydrophobicContact CB-CD1 4.28Å; V25-I31 HydrophobicContact CG1-CD1 4.07Å; C28-I31 HydrophobicContact CB-CD1 3.8Å; C28-I31 HydrophobicContact CB-CG1 3.65Å; I31-C50 HydrophobicContact CD1-CB 4.18Å; I31-C50 HydrophobicContact CG1-CB 4.46Å; I31-D52 PolarHBondContact N-O 2.87Å; I31-N54 PolarHBondContact O-N 2.81Å
32	T	52.4	Low	45.4	Very low	41 Å²	41	57.9 Å²	57.9	25%	0.252	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	108.9	174.9	-62.3	0	0	0	0	111	V9 T10 P11 N54	V9-T32 PolarHBondContact O-N 3.28Å; V9-T32 VanDerWaalsContact O-N 3.11Å; T10-T32 VanDerWaalsContact CA-O 3.25Å; T10-T32 WeakPolarHBondContact CA-O 3.1Å; T10-T32 HydrophobicContact CG2-CG2 4.46Å; T10-T32 WeakPolarHBondContact CG2-O 2.96Å; P11-T32 WeakPolarHBondContact CD-O 3.14Å; T32-N54 CarbonylContact C-O 3.38Å; T32-N54 VanDerWaalsContact CA-O 3.31Å; T32-N54 WeakPolarHBondContact CA-O 3.3Å; T32-N54 HydrophobicContact CG2-CB 4.47Å
33	T	51.5	Low	45.2	Very low	15 Å²	15	55.4 Å²	55.4	9%	0.092	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	112.1	176.1	-56.1	0	0	0	0	111.2	P11 M35 N54 E56	P11-T33 HydrophobicContact CG-CG2 4.35Å; T33-M35 HydrophobicContact CG2-CE 3.48Å; T33-M35 VanDerWaalsContact CG2-CE 3.48Å; T33-N54 PolarHBondContact N-O 3.01Å; T33-E56 PolarHBondContact O-N 2.91Å; T33-E56 VanDerWaalsContact O-N 3.12Å
34	E	44.5	Very low	44.8	Very low	58 Å²	58	62.2 Å²	62.2	27%	0.271	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.9	168.7	-69.9	-165.8	156.5	0	0	111.2	Q12	Q12-E34 PolarHBondContact NE2-OE2 3.12Å
35	M	43.3	Very low	44.8	Very low	34 Å²	34	61.1 Å²	61.1	17%	0.167	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.8	175.2	-104	-178.2	-89.3	0	0	111.9	V13 T33 W58	V13-M35 HydrophobicContact CB-CG 3.89Å; V13-M35 HydrophobicContact CB-SD 4.42Å; V13-M35 HydrophobicContact CG2-CG 4.45Å; T33-M35 HydrophobicContact CG2-CE 3.48Å; T33-M35 VanDerWaalsContact CG2-CE 3.48Å; M35-W58 PolarHBondContact O-N 2.01Å
36	R	38.8	Very low	44.1	Very low	107 Å²	107	64.5 Å²	64.5	40%	0.404	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.7	-179.8	-79.2	179	172.8	176.1	3.3	111.1	W58	R36-W58 HydrophobicContact CG-CB 4.01Å
37	L	34.5	Very low	44.3	Very low	126 Å²	126	61.1 Å²	61.1	66%	0.66	31%	0.308	S	S	*	.	S	Bend	trans	61.1	75.2	171.5	-81.5	135.9	0	0	0	117.1	C60	L37-C60 VanDerWaalsContact CA-SG 3.59Å; L37-C60 PolarHBondContact N-SG 3.47Å
38	C	35.4	Very low	43.9	Very low	7 Å²	7	59.8 Å²	59.8	5%	0.047	31%	0.307	C	S	.	.			trans	-146.7	141.8	176.3	-48.1	0	0	0	0	113.3	L15 C60 W62	L15-C38 PolarHBondContact O-SG 2.79Å; C38-C60 PolarHBondContact N-SG 2.91Å; C38-C60 WeakPolarHBondContact O-CB 3.25Å; C38-W62 HydrophobicContact CB-CH2 4.06Å; C38-W62 HydrophobicContact CB-CZ2 3.57Å
39	H	38.1	Very low	43.8	Very low	144 Å²	144	67.3 Å²	67.3	67%	0.667	34%	0.335	S	S	*	.	B	Isolated β-bridge	trans	-108.8	108.4	159.7	-107.3	67.2	0	0	0	105.9
40	C	37.6	Very low	43.8	Very low	17 Å²	17	64 Å²	64	12%	0.115	32%	0.318	C	S	.	.			trans	-134.5	162.6	169.6	-33	0	0	0	0	108.3	C18 W62	C18-C40 VanDerWaalsContact CA-SG 3.5Å; C18-C40 HydrophobicContact CB-CB 3.59Å; C18-C40 WeakPolarHBondContact CB-SG 3.39Å; C18-C40 PolarHBondContact N-SG 3.14Å; C18-C40 WeakPolarHBondContact SG-CB 3.35Å; C18-C40 CovalentContact SG-SG 2.05Å; C18-C40 PolarHBondContact SG-SG 2.79Å; C40-W62 VanDerWaalsContact C-CE3 3.48Å; C40-W62 HydrophobicContact CB-CE3 4.29Å; C40-W62 HydrophobicContact CB-CH2 3.14Å; C40-W62 HydrophobicContact CB-CZ2 4.42Å; C40-W62 HydrophobicContact CB-CZ3 3.11Å; C40-W62 WeakPolarHBondContact O-CZ3 2.92Å; C40-W62 WeakPolarHBondContact SG-CH2 3.3Å
41	P	38.1	Very low	43.8	Very low	81 Å²	81	64.7 Å²	64.7	53%	0.526	32%	0.321	S	S	.	.			trans	-97.7	136.4	169.2	8	12.8	0	0	0	108.5
42	D	39.9	Very low	43.4	Very low	96 Å²	96	67 Å²	67	51%	0.513	33%	0.334	S	S	.	.			trans	51.5	120.6	160.8	-48.8	-33.8	0	0	0	119.4
43	V	41.5	Very low	43.1	Very low	28 Å²	28	65.5 Å²	65.5	17%	0.17	32%	0.324	C	S	.	.			trans	-126.4	113.3	173.3	177	0	0	0	0	108.4	K45 V65	V43-K45 HydrophobicContact CG1-CD 4.48Å; V43-K45 HydrophobicContact CG1-CG 4.01Å; V43-V65 HydrophobicContact CB-CG1 4.17Å
44	E	40.2	Very low	43.1	Very low	154 Å²	154	67.2 Å²	67.2	72%	0.72	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.9	169.7	-73.1	-171.5	160.8	0	0	110.2
45	K	49.1	Very low	43.4	Very low	28 Å²	28	65.6 Å²	65.6	12%	0.122	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	110.9	174.2	-65.2	-177.1	-178.1	-175.5	0	110.7	L23 V43 T67 S68	L23-K45 HydrophobicContact CB-CD 4.35Å; L23-K45 HydrophobicContact CB-CG 4.38Å; V43-K45 HydrophobicContact CG1-CD 4.48Å; V43-K45 HydrophobicContact CG1-CG 4.01Å; K45-T67 HydrophobicContact CB-CG2 3.94Å; K45-T67 HydrophobicContact CD-CG2 4.35Å; K45-S68 PolarHBondContact O-N 2.99Å; K45-S68 VanDerWaalsContact O-N 3.11Å; K45-S68 VanDerWaalsContact O-O 3.11Å
46	P	37.7	Very low	43.3	Very low	75 Å²	75	68 Å²	68	49%	0.487	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116.5	165.7	30.7	-25.8	0	0	0	110.5	S68	P46-S68 WeakPolarHBondContact CA-O 3.43Å
47	E	53.1	Low	43.4	Very low	10 Å²	10	64.4 Å²	64.4	5%	0.047	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.6	-179	-73.5	162.6	176.3	0	0	111.2	V25 L53 S68 V69 R70	V25-E47 HydrophobicContact CB-CG 4.33Å; E47-L53 WeakPolarHBondContact OE2-CD1 3.42Å; E47-S68 PolarHBondContact N-O 3.5Å; E47-S68 VanDerWaalsContact N-O 3.08Å; E47-V69 HydrophobicContact CB-CG1 4.14Å; E47-V69 HydrophobicContact CB-CG2 4.27Å; E47-R70 PolarHBondContact O-N 2.86Å
48	Q	43.7	Very low	43.2	Very low	96 Å²	96	64 Å²	64	45%	0.449	32%	0.316	S	S	.	.			trans	-101.9	-43.2	-169.7	-75.5	-164.6	10.7	0	0	116.1	V25 R70	V25-Q48 PolarHBondContact O-N 2.83Å; Q48-R70 CarbonylContact O-C 3.59Å; Q48-R70 VanDerWaalsContact O-C 3.25Å
49	R	48.8	Very low	42.9	Very low	161 Å²	161	73.9 Å²	73.9	61%	0.608	35%	0.353	S	S	*	.			trans	-156.9	135	177.6	-80.7	-165.8	165.6	-169.2	-10.5	111.7	C28 G71	C28-R49 PolarHBondContact N-O 2.89Å; R49-G71 CarbonylContact C-O 3.54Å; R49-G71 WeakPolarHBondContact CA-O 3.43Å
50	C	49.4	Very low	42.4	Very low	6 Å²	6	68 Å²	68	4%	0.041	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	167	166	76.4	0	0	0	0	113.9	C28 I31 G71 C72 D73	C28-C50 WeakPolarHBondContact O-CA 3.37Å; C28-C50 WeakPolarHBondContact O-CB 3.37Å; I31-C50 HydrophobicContact CD1-CB 4.18Å; I31-C50 HydrophobicContact CG1-CB 4.46Å; C50-G71 PolarHBondContact N-O 3.41Å; C50-C72 HydrophobicContact CB-CB 4.35Å; C50-C72 WeakPolarHBondContact CB-SG 2.96Å; C50-C72 WeakPolarHBondContact O-CA 2.91Å; C50-C72 WeakPolarHBondContact SG-CB 3.34Å; C50-C72 CovalentContact SG-SG 2.04Å; C50-C72 PolarHBondContact SG-SG 2.84Å; C50-D73 PolarHBondContact O-N 3.12Å
51	D	48.5	Very low	42.1	Very low	70 Å²	70	73.2 Å²	73.2	37%	0.374	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-58.3	170.6	-57.8	-9.7	0	0	0	107.4	C28 D29 D73 D74	C28-D51 PolarHBondContact O-N 2.73Å; D29-D51 CarbonylContact O-C 3.58Å; D29-D51 WeakPolarHBondContact O-CA 3.48Å; D29-D51 VanDerWaalsContact O-CB 3.26Å; D29-D51 WeakPolarHBondContact O-CB 3.33Å; D29-D51 PolarHBondContact O-N 2.77Å; D51-D73 CarbonylContact O-C 3.57Å; D51-D73 WeakPolarHBondContact O-CA 3.4Å; D51-D73 WeakPolarHBondContact O-CB 3.29Å; D51-D73 PolarHBondContact O-N 3.02Å; D51-D74 PolarHBondContact O-N 3.31Å
52	D	44.6	Very low	42	Very low	52 Å²	52	70.4 Å²	70.4	28%	0.278	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.7	175.1	-64.9	-9.8	0	0	0	114	D29 D30 I31 D74	D29-D52 PolarHBondContact O-N 2.91Å; D30-D52 WeakPolarHBondContact OD1-CB 3.27Å; I31-D52 PolarHBondContact N-O 2.87Å; D52-D74 WeakPolarHBondContact OD1-CB 3.32Å
53	L	47.6	Very low	41.8	Very low	11 Å²	11	77 Å²	77	6%	0.058	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	102.5	171.7	-153.6	131.5	0	0	0	113.1	E47 V69 D74 F75 N76	E47-L53 WeakPolarHBondContact OE2-CD1 3.42Å; L53-V69 HydrophobicContact CD1-CG1 4.21Å; L53-V69 HydrophobicContact CD1-CG2 4.02Å; L53-D74 PolarHBondContact N-O 2.92Å; L53-F75 HydrophobicContact CB-CD2 4.1Å; L53-F75 HydrophobicContact CD2-CD2 4.04Å; L53-F75 HydrophobicContact CD2-CE2 3.78Å; L53-N76 PolarHBondContact O-N 3.3Å
54	N	50.5	Low	41.6	Very low	50 Å²	50	81 Å²	81	27%	0.267	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.5	178.4	-88.2	-49.1	0	0	0	112.5	I31 T32 T33 N76	I31-N54 PolarHBondContact O-N 2.81Å; T32-N54 CarbonylContact C-O 3.38Å; T32-N54 VanDerWaalsContact CA-O 3.31Å; T32-N54 WeakPolarHBondContact CA-O 3.3Å; T32-N54 HydrophobicContact CG2-CB 4.47Å; T33-N54 PolarHBondContact N-O 3.01Å; N54-N76 VanDerWaalsContact OD1-CB 3.24Å; N54-N76 WeakPolarHBondContact OD1-CB 3.29Å; N54-N76 PolarHBondContact OD1-ND2 2.92Å
55	A	51	Low	41.4	Very low	24 Å²	24	74.2 Å²	74.2	20%	0.198	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	99.8	175.7	0	0	0	0	0	110.5	D78	A55-D78 VanDerWaalsContact O-CB 3.25Å; A55-D78 WeakPolarHBondContact O-CB 3.04Å
56	E	41.1	Very low	40.8	Very low	84 Å²	84	75.3 Å²	75.3	39%	0.393	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.4	177.9	-67.9	-159.2	172.2	0	0	111.7	T33	T33-E56 PolarHBondContact O-N 2.91Å; T33-E56 VanDerWaalsContact O-N 3.12Å
57	R	40.6	Very low	41.1	Very low	33 Å²	33	72.3 Å²	72.3	13%	0.125	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.9	-176.3	-167	176.1	167.8	-166.9	-6.5	114	C60	R57-C60 VanDerWaalsContact NH2-CB 3.29Å; R57-C60 PolarHBondContact NH2-O 3.19Å
58	W	30.8	Very low	40.5	Very low	117 Å²	117	74.2 Å²	74.2	44%	0.443	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	111.5	178.2	-73.4	85.4	0	0	0	112.1	M35 R36	M35-W58 PolarHBondContact O-N 2.01Å; R36-W58 HydrophobicContact CG-CB 4.01Å
59	R	28.9	Very low	40.6	Very low	214 Å²	214	69.7 Å²	69.7	81%	0.808	32%	0.324	S	S	*	.	S	Bend	trans	52.5	74.2	171.2	-62.9	-172	-167.1	-176.6	4.8	116.8
60	C	28.2	Very low	40.5	Very low	20 Å²	20	67.8 Å²	67.8	14%	0.135	32%	0.317	C	S	.	.			trans	-140.8	156.3	167.7	-60.4	0	0	0	0	112.7	L37 C38 R57 R80	L37-C60 VanDerWaalsContact CA-SG 3.59Å; L37-C60 PolarHBondContact N-SG 3.47Å; C38-C60 PolarHBondContact N-SG 2.91Å; C38-C60 WeakPolarHBondContact O-CB 3.25Å; R57-C60 VanDerWaalsContact NH2-CB 3.29Å; R57-C60 PolarHBondContact NH2-O 3.19Å; C60-R80 PolarHBondContact O-NH1 2.8Å
61	H	31.8	Very low	40.3	Very low	128 Å²	128	68.1 Å²	68.1	59%	0.593	32%	0.321	S	S	*	.			trans	-103.3	116	168	-112.5	-71.3	0	0	0	108.6
62	W	34.4	Very low	40.2	Very low	21 Å²	21	64.9 Å²	64.9	8%	0.08	30%	0.304	C	S	.	.			trans	-124.9	148.4	170.5	-59.8	147.4	0	0	0	107.4	C38 C40 V65	C38-W62 HydrophobicContact CB-CH2 4.06Å; C38-W62 HydrophobicContact CB-CZ2 3.57Å; C40-W62 VanDerWaalsContact C-CE3 3.48Å; C40-W62 HydrophobicContact CB-CE3 4.29Å; C40-W62 HydrophobicContact CB-CH2 3.14Å; C40-W62 HydrophobicContact CB-CZ2 4.42Å; C40-W62 HydrophobicContact CB-CZ3 3.11Å; C40-W62 WeakPolarHBondContact O-CZ3 2.92Å; C40-W62 WeakPolarHBondContact SG-CH2 3.3Å; W62-V65 HydrophobicContact CB-CG2 4.44Å
63	R	36	Very low	40.6	Very low	236 Å²	236	65.8 Å²	65.8	89%	0.891	31%	0.309	S	S	*	.	S	Bend	trans	-84.7	-50.2	179.2	-109.2	176.8	174.5	159.9	-2.8	111.9
64	D	36.9	Very low	40.6	Very low	112 Å²	112	68.1 Å²	68.1	60%	0.599	32%	0.321	S	S	*	.			trans	-152	143.3	179.1	-62	-68.1	0	0	0	110
65	V	36	Very low	40.7	Very low	10 Å²	10	65.7 Å²	65.7	6%	0.061	31%	0.309	C	S	.	.			trans	-141.9	128.8	169.9	-176.4	0	0	0	0	108.7	V43 W62 Q81 Q82	V43-V65 HydrophobicContact CB-CG1 4.17Å; W62-V65 HydrophobicContact CB-CG2 4.44Å; V65-Q81 HydrophobicContact CB-CB 4.25Å; V65-Q81 HydrophobicContact CB-CG 3.79Å; V65-Q81 HydrophobicContact CG1-CG 4.12Å; V65-Q81 HydrophobicContact CG2-CG 4.47Å; V65-Q81 CarbonylContact O-C 3.57Å; V65-Q81 WeakPolarHBondContact O-CA 3.32Å; V65-Q81 WeakPolarHBondContact O-CB 3.37Å; V65-Q82 PolarHBondContact O-N 2.96Å
66	A	38.4	Very low	41.1	Very low	52 Å²	52	66.3 Å²	66.3	43%	0.43	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.3	177.5	0	0	0	0	0	111.2	Q82	A66-Q82 VanDerWaalsContact CA-O 3.22Å; A66-Q82 WeakPolarHBondContact CA-O 3.22Å
67	T	43.7	Very low	41.8	Very low	11 Å²	11	62.5 Å²	62.5	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.3	178.7	-13.6	0	0	0	0	109.3	K45 Q81 Q82 K83 S84	K45-T67 HydrophobicContact CB-CG2 3.94Å; K45-T67 HydrophobicContact CD-CG2 4.35Å; T67-Q81 PolarHBondContact OG1-OE1 2.91Å; T67-Q81 VanDerWaalsContact OG1-OE1 3.09Å; T67-Q82 PolarHBondContact N-O 3.04Å; T67-K83 CarbonylContact O-C 3.32Å; T67-K83 WeakPolarHBondContact OG1-CG 3.38Å; T67-S84 PolarHBondContact O-N 2.88Å
68	S	38.9	Very low	42.4	Very low	51 Å²	51	62.4 Å²	62.4	36%	0.357	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	111.4	178.2	173.1	0	0	0	0	110.5	K45 P46 E47 S84	K45-S68 PolarHBondContact O-N 2.99Å; K45-S68 VanDerWaalsContact O-N 3.11Å; K45-S68 VanDerWaalsContact O-O 3.11Å; P46-S68 WeakPolarHBondContact CA-O 3.43Å; E47-S68 PolarHBondContact N-O 3.5Å; E47-S68 VanDerWaalsContact N-O 3.08Å; S68-S84 VanDerWaalsContact CA-O 3.28Å; S68-S84 WeakPolarHBondContact CA-O 3.36Å
69	V	46.7	Very low	43.2	Very low	0 Å²	0	57 Å²	57	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147.8	-178.4	-173.2	0	0	0	0	109.5	E47 L53 C72 F75 S84 E85 R86	E47-V69 HydrophobicContact CB-CG1 4.14Å; E47-V69 HydrophobicContact CB-CG2 4.27Å; L53-V69 HydrophobicContact CD1-CG1 4.21Å; L53-V69 HydrophobicContact CD1-CG2 4.02Å; V69-C72 WeakPolarHBondContact CG1-SG 3.45Å; V69-F75 HydrophobicContact CB-CE2 4.45Å; V69-F75 HydrophobicContact CG2-CE2 4.08Å; V69-S84 PolarHBondContact N-O 3.17Å; V69-E85 VanDerWaalsContact CB-OE1 3.28Å; V69-E85 WeakPolarHBondContact CB-OE1 3.43Å; V69-E85 VanDerWaalsContact CB-OE2 3.25Å; V69-E85 WeakPolarHBondContact CB-OE2 3.28Å; V69-E85 WeakPolarHBondContact CG1-OE1 3.44Å; V69-E85 WeakPolarHBondContact O-CA 3.31Å; V69-R86 PolarHBondContact O-N 2.8Å; V69-R86 VanDerWaalsContact O-N 3.09Å
70	R	47.1	Very low	44.2	Very low	122 Å²	122	49.8 Å²	49.8	46%	0.46	25%	0.246	S	C	.	.	S	Bend	trans	-116.1	43.8	-174.8	-63.7	-171.5	-179	173.1	3	113.7	E47 Q48 R86	E47-R70 PolarHBondContact O-N 2.86Å; Q48-R70 CarbonylContact O-C 3.59Å; Q48-R70 VanDerWaalsContact O-C 3.25Å; R70-R86 HydrophobicContact CG-CG 4.24Å
71	G	45	Very low	45.3	Very low	13 Å²	13	50.9 Å²	50.9	13%	0.134	25%	0.249	C	C	.	.			trans	125.7	108.4	176.7	0	0	0	0	0	110.2	R49 C50 E85 S87	R49-G71 CarbonylContact C-O 3.54Å; R49-G71 WeakPolarHBondContact CA-O 3.43Å; C50-G71 PolarHBondContact N-O 3.41Å; G71-E85 PolarHBondContact N-OE1 2.79Å; G71-S87 VanDerWaalsContact CA-O 3.23Å; G71-S87 WeakPolarHBondContact CA-O 2.89Å
72	C	47.3	Very low	46.1	Very low	1 Å²	1	51.1 Å²	51.1	1%	0.007	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	139.6	164.2	-68.7	0	0	0	0	110.1	C50 V69 S87 C88	C50-C72 HydrophobicContact CB-CB 4.35Å; C50-C72 WeakPolarHBondContact CB-SG 2.96Å; C50-C72 WeakPolarHBondContact O-CA 2.91Å; C50-C72 WeakPolarHBondContact SG-CB 3.34Å; C50-C72 CovalentContact SG-SG 2.04Å; C50-C72 PolarHBondContact SG-SG 2.84Å; V69-C72 WeakPolarHBondContact CG1-SG 3.45Å; C72-S87 PolarHBondContact N-O 2.79Å; C72-C88 WeakPolarHBondContact O-CA 3.44Å; C72-C88 WeakPolarHBondContact O-CB 3.23Å
73	D	51.1	Low	47.3	Very low	71 Å²	71	50.3 Å²	50.3	38%	0.38	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	-50.2	-178.4	-60.5	-10	0	0	0	108.6	C50 D51 D89 D90	C50-D73 PolarHBondContact O-N 3.12Å; D51-D73 CarbonylContact O-C 3.57Å; D51-D73 WeakPolarHBondContact O-CA 3.4Å; D51-D73 WeakPolarHBondContact O-CB 3.29Å; D51-D73 PolarHBondContact O-N 3.02Å; D73-D89 CarbonylContact O-C 3.59Å; D73-D89 WeakPolarHBondContact O-CA 3.18Å; D73-D89 WeakPolarHBondContact O-CB 3.24Å; D73-D89 PolarHBondContact O-N 3.23Å; D73-D90 PolarHBondContact O-N 3.47Å
74	D	48.8	Very low	47.9	Very low	60 Å²	60	41.3 Å²	41.3	32%	0.321	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.2	172.6	-71.8	-2.4	0	0	0	113.1	D51 D52 L53 D90	D51-D74 PolarHBondContact O-N 3.31Å; D52-D74 WeakPolarHBondContact OD1-CB 3.32Å; L53-D74 PolarHBondContact N-O 2.92Å; D74-D90 WeakPolarHBondContact OD1-CB 3.5Å
75	F	51.4	Low	49	Very low	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	113.7	179.3	-172.2	-93.5	0	0	0	114.7	L53 V69 A77 K83 E85 C88 D90 L91 N92 T105	L53-F75 HydrophobicContact CB-CD2 4.1Å; L53-F75 HydrophobicContact CD2-CD2 4.04Å; L53-F75 HydrophobicContact CD2-CE2 3.78Å; V69-F75 HydrophobicContact CB-CE2 4.45Å; V69-F75 HydrophobicContact CG2-CE2 4.08Å; F75-A77 HydrophobicContact CD1-CB 4.47Å; F75-A77 HydrophobicContact CE1-CB 4.02Å; F75-K83 HydrophobicContact CE1-CB 3.94Å; F75-K83 HydrophobicContact CE1-CD 3.81Å; F75-K83 HydrophobicContact CE1-CG 4.31Å; F75-K83 HydrophobicContact CZ-CB 3.74Å; F75-K83 HydrophobicContact CZ-CD 3.54Å; F75-K83 HydrophobicContact CZ-CG 3.82Å; F75-E85 WeakPolarHBondContact CD2-OE2 3.45Å; F75-E85 WeakPolarHBondContact CE2-OE2 3.36Å; F75-C88 HydrophobicContact CB-CB 4.47Å; F75-D90 PolarHBondContact N-O 3.29Å; F75-L91 HydrophobicContact CB-CD1 4.02Å; F75-L91 HydrophobicContact CD1-CD1 3.4Å; F75-L91 VanDerWaalsContact CD1-CD1 3.4Å; F75-L91 HydrophobicContact CE1-CD1 4.24Å; F75-L91 HydrophobicContact CG-CD1 4.08Å; F75-N92 PolarHBondContact O-N 2.85Å; F75-T105 HydrophobicContact CE1-CG2 4.18Å
76	N	59.6	Low	49.9	Very low	36 Å²	36	41.4 Å²	41.4	19%	0.193	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.5	177.2	-72.4	-14.1	0	0	0	114	L53 N54 K83 N92	L53-N76 PolarHBondContact O-N 3.3Å; N54-N76 VanDerWaalsContact OD1-CB 3.24Å; N54-N76 WeakPolarHBondContact OD1-CB 3.29Å; N54-N76 PolarHBondContact OD1-ND2 2.92Å; N76-K83 PolarHBondContact O-NZ 2.96Å; N76-N92 VanDerWaalsContact CA-O 3.31Å; N76-N92 WeakPolarHBondContact CA-O 2.96Å; N76-N92 WeakPolarHBondContact OD1-CB 3.31Å; N76-N92 PolarHBondContact OD1-O 2.89Å
77	A	56.5	Low	50.8	Low	4 Å²	4	41.3 Å²	41.3	3%	0.033	21%	0.208	C	C	.	.			trans	-115.2	99.6	-176.7	0	0	0	0	0	113.2	F75 K83 N92 T105	F75-A77 HydrophobicContact CD1-CB 4.47Å; F75-A77 HydrophobicContact CE1-CB 4.02Å; A77-K83 HydrophobicContact CB-CD 3.75Å; A77-N92 PolarHBondContact N-O 3.34Å; A77-N92 VanDerWaalsContact N-O 3.15Å; A77-T105 HydrophobicContact CB-CG2 4.19Å
78	D	53.2	Low	51.5	Low	31 Å²	31	40.8 Å²	40.8	17%	0.166	21%	0.205	C	C	.	.			trans	-94.1	133.7	178.6	-157.4	-5.2	0	0	0	114.8	A55 R80	A55-D78 VanDerWaalsContact O-CB 3.25Å; A55-D78 WeakPolarHBondContact O-CB 3.04Å; D78-R80 PolarHBondContact O-N 2.88Å
79	T	48.1	Very low	52.5	Low	4 Å²	4	41.8 Å²	41.8	3%	0.025	21%	0.207	C	C	.	.	S	Bend	trans	32.7	-17.7	166.1	37.5	0	0	0	0	126.3	M95 C98 S100 V103	T79-M95 HydrophobicContact CG2-CB 4.4Å; T79-M95 HydrophobicContact CG2-CE 4.2Å; T79-M95 HydrophobicContact CG2-CG 3.17Å; T79-M95 HydrophobicContact CG2-SD 4.02Å; T79-C98 HydrophobicContact CG2-CB 4.43Å; T79-S100 WeakPolarHBondContact O-CB 3.34Å; T79-S100 PolarHBondContact O-OG 2.82Å; T79-V103 WeakPolarHBondContact O-CG2 3.45Å
80	R	50.2	Low	53	Low	62 Å²	62	44.9 Å²	44.9	23%	0.234	22%	0.223	C	C	.	.	S	Bend	trans	-153.1	20	-177.4	-81.7	-161.9	-173.1	148.4	-2.3	116.9	C60 D78 H99 S100	C60-R80 PolarHBondContact O-NH1 2.8Å; D78-R80 PolarHBondContact O-N 2.88Å; R80-H99 PolarHBondContact NH2-O 2.89Å; R80-H99 VanDerWaalsContact NH2-O 3.15Å; R80-S100 WeakPolarHBondContact CG-OG 3.23Å; R80-S100 PolarHBondContact NE-OG 3.39Å
81	Q	50.4	Low	53.5	Low	43 Å²	43	39.2 Å²	39.2	20%	0.201	20%	0.202	C	C	.	.			trans	-118.8	138.7	-175.4	-50	-160.3	-36.8	0	0	111.5	V65 T67 K83 A104	V65-Q81 HydrophobicContact CB-CB 4.25Å; V65-Q81 HydrophobicContact CB-CG 3.79Å; V65-Q81 HydrophobicContact CG1-CG 4.12Å; V65-Q81 HydrophobicContact CG2-CG 4.47Å; V65-Q81 CarbonylContact O-C 3.57Å; V65-Q81 WeakPolarHBondContact O-CA 3.32Å; V65-Q81 WeakPolarHBondContact O-CB 3.37Å; T67-Q81 PolarHBondContact OG1-OE1 2.91Å; T67-Q81 VanDerWaalsContact OG1-OE1 3.09Å; Q81-K83 HydrophobicContact CB-CD 4.24Å; Q81-K83 HydrophobicContact CB-CG 4.03Å; Q81-K83 PolarHBondContact O-N 3.03Å; Q81-A104 VanDerWaalsContact O-O 3.14Å
82	Q	48.1	Very low	54.3	Low	134 Å²	134	40 Å²	40	63%	0.626	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	95.9	165.9	-155.9	174.5	19.9	0	0	107.4	V65 A66 T67 A104	V65-Q82 PolarHBondContact O-N 2.96Å; A66-Q82 VanDerWaalsContact CA-O 3.22Å; A66-Q82 WeakPolarHBondContact CA-O 3.22Å; T67-Q82 PolarHBondContact N-O 3.04Å; Q82-A104 WeakPolarHBondContact CA-O 3.36Å; Q82-A104 HydrophobicContact CG-CB 4.5Å
83	K	59.9	Low	54.9	Low	3 Å²	3	40.2 Å²	40.2	1%	0.013	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	137.9	-173.9	-88.6	169.8	166	-143.1	0	110.9	T67 F75 N76 A77 Q81 A104 T105 S106	T67-K83 CarbonylContact O-C 3.32Å; T67-K83 WeakPolarHBondContact OG1-CG 3.38Å; F75-K83 HydrophobicContact CE1-CB 3.94Å; F75-K83 HydrophobicContact CE1-CD 3.81Å; F75-K83 HydrophobicContact CE1-CG 4.31Å; F75-K83 HydrophobicContact CZ-CB 3.74Å; F75-K83 HydrophobicContact CZ-CD 3.54Å; F75-K83 HydrophobicContact CZ-CG 3.82Å; N76-K83 PolarHBondContact O-NZ 2.96Å; A77-K83 HydrophobicContact CB-CD 3.75Å; Q81-K83 HydrophobicContact CB-CD 4.24Å; Q81-K83 HydrophobicContact CB-CG 4.03Å; Q81-K83 PolarHBondContact O-N 3.03Å; K83-A104 PolarHBondContact N-O 3.03Å; K83-T105 HydrophobicContact CB-CG2 4.28Å; K83-S106 PolarHBondContact O-N 3.29Å; K83-S106 PolarHBondContact O-OG 3.02Å
84	S	48.6	Very low	54.8	Low	48 Å²	48	38.4 Å²	38.4	34%	0.336	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.3	176.2	73.5	0	0	0	0	111.8	T67 S68 V69 S106	T67-S84 PolarHBondContact O-N 2.88Å; S68-S84 VanDerWaalsContact CA-O 3.28Å; S68-S84 WeakPolarHBondContact CA-O 3.36Å; V69-S84 PolarHBondContact N-O 3.17Å; S84-S106 CarbonylContact C-O 3.31Å; S84-S106 WeakPolarHBondContact CA-O 3.4Å; S84-S106 WeakPolarHBondContact CA-OG 3.31Å; S84-S106 WeakPolarHBondContact CB-OG 3.29Å
85	E	59.8	Low	54.5	Low	7 Å²	7	35.8 Å²	35.8	3%	0.033	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	144.8	179.3	-171.8	74.4	-115	0	0	110.6	V69 G71 F75 S87 C88 S106 V107 R108	V69-E85 VanDerWaalsContact CB-OE1 3.28Å; V69-E85 WeakPolarHBondContact CB-OE1 3.43Å; V69-E85 VanDerWaalsContact CB-OE2 3.25Å; V69-E85 WeakPolarHBondContact CB-OE2 3.28Å; V69-E85 WeakPolarHBondContact CG1-OE1 3.44Å; V69-E85 WeakPolarHBondContact O-CA 3.31Å; G71-E85 PolarHBondContact N-OE1 2.79Å; F75-E85 WeakPolarHBondContact CD2-OE2 3.45Å; F75-E85 WeakPolarHBondContact CE2-OE2 3.36Å; E85-S87 VanDerWaalsContact CG-O 3.23Å; E85-S87 WeakPolarHBondContact CG-O 3.2Å; E85-C88 HydrophobicContact CG-CB 4.4Å; E85-S106 PolarHBondContact N-O 2.9Å; E85-V107 HydrophobicContact CB-CB 4.45Å; E85-V107 HydrophobicContact CB-CG1 4.15Å; E85-V107 HydrophobicContact CB-CG2 4.19Å; E85-R108 PolarHBondContact O-N 3.37Å
86	R	56.2	Low	54	Low	116 Å²	116	41.9 Å²	41.9	44%	0.438	20%	0.203	S	C	.	.	S	Bend	trans	-83.4	-37.5	172.3	-76	-168.3	-175.1	-178.5	0.3	114	V69 R70 R108 R109	V69-R86 PolarHBondContact O-N 2.8Å; V69-R86 VanDerWaalsContact O-N 3.09Å; R70-R86 HydrophobicContact CG-CG 4.24Å; R86-R108 WeakPolarHBondContact O-CB 3.4Å; R86-R109 PolarHBondContact O-N 2.9Å
87	S	56.4	Low	52.8	Low	50 Å²	50	48.8 Å²	48.8	35%	0.35	23%	0.226	S	C	.	.			trans	-156.1	142.3	-175.4	-147.9	0	0	0	0	109	G71 C72 E85 R109	G71-S87 VanDerWaalsContact CA-O 3.23Å; G71-S87 WeakPolarHBondContact CA-O 2.89Å; C72-S87 PolarHBondContact N-O 2.79Å; E85-S87 VanDerWaalsContact CG-O 3.23Å; E85-S87 WeakPolarHBondContact CG-O 3.2Å; S87-R109 CarbonylContact C-O 3.25Å; S87-R109 VanDerWaalsContact C-O 3.32Å; S87-R109 WeakPolarHBondContact CA-O 3.17Å
88	C	59.2	Low	51.4	Low	1 Å²	1	50.4 Å²	50.4	1%	0.007	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	165.9	164.4	38.9	0	0	0	0	110.9	C72 F75 E85 V107 R109 C110 D111	C72-C88 WeakPolarHBondContact O-CA 3.44Å; C72-C88 WeakPolarHBondContact O-CB 3.23Å; F75-C88 HydrophobicContact CB-CB 4.47Å; E85-C88 HydrophobicContact CG-CB 4.4Å; C88-V107 VanDerWaalsContact SG-CG1 3.53Å; C88-R109 PolarHBondContact N-O 2.91Å; C88-R109 PolarHBondContact SG-O 2.97Å; C88-C110 HydrophobicContact CB-CB 4.42Å; C88-C110 WeakPolarHBondContact CB-SG 3.3Å; C88-C110 WeakPolarHBondContact O-CA 3.18Å; C88-C110 WeakPolarHBondContact SG-CB 3.46Å; C88-C110 CovalentContact SG-SG 2.03Å; C88-C110 PolarHBondContact SG-SG 2.82Å; C88-D111 PolarHBondContact O-N 2.89Å
89	D	59	Low	50.7	Low	72 Å²	72	55.6 Å²	55.6	39%	0.385	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-52.6	166.3	-65.4	-2.6	0	0	0	106.7	D73 D111 D112	D73-D89 CarbonylContact O-C 3.59Å; D73-D89 WeakPolarHBondContact O-CA 3.18Å; D73-D89 WeakPolarHBondContact O-CB 3.24Å; D73-D89 PolarHBondContact O-N 3.23Å; D89-D111 CarbonylContact O-C 3.51Å; D89-D111 WeakPolarHBondContact O-CA 3.34Å; D89-D111 WeakPolarHBondContact O-CB 3.05Å; D89-D111 PolarHBondContact O-N 2.04Å; D89-D112 PolarHBondContact O-N 2.82Å
90	D	57	Low	50.5	Low	65 Å²	65	55.9 Å²	55.9	35%	0.348	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.3	177.1	-69.2	-7.6	0	0	0	113.7	D73 D74 F75 D112	D73-D90 PolarHBondContact O-N 3.47Å; D74-D90 WeakPolarHBondContact OD1-CB 3.5Å; F75-D90 PolarHBondContact N-O 3.29Å; D90-D112 WeakPolarHBondContact OD1-CB 3.3Å
91	L	58.3	Low	50.5	Low	3 Å²	3	63 Å²	63	2%	0.016	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.6	167.1	-166	83	0	0	0	110.4	F75 T105 V107 C110 D112 T113 N114 V127	F75-L91 HydrophobicContact CB-CD1 4.02Å; F75-L91 HydrophobicContact CD1-CD1 3.4Å; F75-L91 VanDerWaalsContact CD1-CD1 3.4Å; F75-L91 HydrophobicContact CE1-CD1 4.24Å; F75-L91 HydrophobicContact CG-CD1 4.08Å; L91-T105 HydrophobicContact CD1-CG2 4.37Å; L91-T105 HydrophobicContact CD2-CG2 4.38Å; L91-V107 HydrophobicContact CD1-CG2 3.32Å; L91-V107 HydrophobicContact CD2-CG2 3.81Å; L91-V107 HydrophobicContact CG-CG2 4.15Å; L91-C110 HydrophobicContact CB-CB 4.48Å; L91-C110 VanDerWaalsContact CB-SG 3.58Å; L91-C110 PolarHBondContact N-SG 2.85Å; L91-D112 PolarHBondContact N-O 2.96Å; L91-T113 HydrophobicContact CB-CG2 4.31Å; L91-T113 HydrophobicContact CD2-CG2 3.82Å; L91-N114 WeakPolarHBondContact O-CA 3.39Å; L91-N114 PolarHBondContact O-N 2.89Å; L91-V127 HydrophobicContact CD2-CG1 3.78Å
92	N	61.1	Low	50.7	Low	29 Å²	29	66.1 Å²	66.1	16%	0.155	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	111.4	165.2	-147.3	-17.9	0	0	0	112.1	F75 N76 A77 E94 N114 E116	F75-N92 PolarHBondContact O-N 2.85Å; N76-N92 VanDerWaalsContact CA-O 3.31Å; N76-N92 WeakPolarHBondContact CA-O 2.96Å; N76-N92 WeakPolarHBondContact OD1-CB 3.31Å; N76-N92 PolarHBondContact OD1-O 2.89Å; A77-N92 PolarHBondContact N-O 3.34Å; A77-N92 VanDerWaalsContact N-O 3.15Å; N92-E94 VanDerWaalsContact C-N 3.31Å; N92-E94 PolarHBondContact O-N 2.92Å; N92-N114 WeakPolarHBondContact CA-O 3.16Å; N92-E116 PolarHBondContact ND2-OE1 3.13Å; N92-E116 VanDerWaalsContact ND2-OE1 3.08Å; N92-E116 PolarHBondContact OD1-N 2.97Å
93	A	59.7	Low	51	Low	6 Å²	6	60.1 Å²	60.1	5%	0.05	28%	0.28	C	S	.	.			trans	-84.3	74.7	172.3	0	0	0	0	0	110.2	N114 A115 E116 V127	A93-N114 PolarHBondContact N-O 3.26Å; A93-N114 VanDerWaalsContact N-O 3.08Å; A93-A115 HydrophobicContact CB-CB 4.41Å; A93-E116 VanDerWaalsContact O-O 3.11Å; A93-V127 HydrophobicContact CB-CG2 4.31Å
94	E	50	Low	51.1	Low	33 Å²	33	61.9 Å²	61.9	15%	0.154	30%	0.295	C	S	.	.			trans	-83.8	136.3	-176.7	-153.3	-176.3	-175.8	0	0	113.1	N92 R96 E116	N92-E94 VanDerWaalsContact C-N 3.31Å; N92-E94 PolarHBondContact O-N 2.92Å; E94-R96 HydrophobicContact CG-CG 4.46Å; E94-R96 IonicContact OE1-CZ 3.07Å; E94-R96 IonicContact OE1-NE 2.71Å; E94-R96 PolarHBondContact OE1-NE 3.27Å; E94-R96 IonicContact OE1-NH2 2.74Å; E94-R96 PolarHBondContact OE1-NH2 2.9Å; E94-R96 IonicContact OE2-CZ 3.62Å; E94-R96 IonicContact OE2-NE 3.48Å; E94-R96 PolarHBondContact OE2-NE 3.22Å; E94-R96 IonicContact OE2-NH2 3.61Å; E94-E116 WeakPolarHBondContact CA-O 3.3Å; E94-E116 HydrophobicContact CG-CB 4.07Å
95	M	42.7	Very low	51.8	Low	4 Å²	4	59.7 Å²	59.7	2%	0.02	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	108.8	177.8	-154.1	-176.2	-93.8	0	0	112	T79 V103 E116 M117 W118 N122 V125	T79-M95 HydrophobicContact CG2-CB 4.4Å; T79-M95 HydrophobicContact CG2-CE 4.2Å; T79-M95 HydrophobicContact CG2-CG 3.17Å; T79-M95 HydrophobicContact CG2-SD 4.02Å; M95-V103 HydrophobicContact CE-CB 3.99Å; M95-V103 HydrophobicContact CE-CG2 3.27Å; M95-E116 PolarHBondContact N-O 3.04Å; M95-M117 HydrophobicContact CB-CG 4.07Å; M95-W118 PolarHBondContact O-N 2.82Å; M95-N122 HydrophobicContact CE-CB 4.49Å; M95-N122 HydrophobicContact SD-CB 3.43Å; M95-N122 WeakPolarHBondContact SD-CB 3.14Å; M95-N122 PolarHBondContact SD-ND2 2.88Å; M95-V125 HydrophobicContact CE-CG2 3.83Å
96	R	40	Very low	51.8	Low	128 Å²	128	61.6 Å²	61.6	48%	0.483	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.4	179.1	-70.8	-175.7	174.3	177.8	7	113.2	E94 C98 W118	E94-R96 HydrophobicContact CG-CG 4.46Å; E94-R96 IonicContact OE1-CZ 3.07Å; E94-R96 IonicContact OE1-NE 2.71Å; E94-R96 PolarHBondContact OE1-NE 3.27Å; E94-R96 IonicContact OE1-NH2 2.74Å; E94-R96 PolarHBondContact OE1-NH2 2.9Å; E94-R96 IonicContact OE2-CZ 3.62Å; E94-R96 IonicContact OE2-NE 3.48Å; E94-R96 PolarHBondContact OE2-NE 3.22Å; E94-R96 IonicContact OE2-NH2 3.61Å; R96-C98 PolarHBondContact O-N 3.07Å; R96-W118 HydrophobicContact CG-CB 4.46Å
97	R	33.7	Very low	52.1	Low	181 Å²	181	56.4 Å²	56.4	68%	0.683	28%	0.275	S	S	*	.	S	Bend	trans	52.3	40.7	162.4	-63.1	-171.3	-166.4	174.1	7.5	119
98	C	28.9	Very low	52.5	Low	39 Å²	39	61.8 Å²	61.8	26%	0.264	29%	0.287	S	S	.	.			trans	-135.1	138.5	166.7	-76.3	0	0	0	0	112.1	T79 R96 S100 N122	T79-C98 HydrophobicContact CG2-CB 4.43Å; R96-C98 PolarHBondContact O-N 3.07Å; C98-S100 PolarHBondContact O-N 3.43Å; C98-N122 PolarHBondContact O-OD1 3.11Å
99	H	37.6	Very low	52.6	Low	139 Å²	139	69.2 Å²	69.2	64%	0.644	32%	0.315	S	S	*	.			trans	-61.5	99.7	162.8	-96.4	-17.6	0	0	0	109	R80 E121	R80-H99 PolarHBondContact NH2-O 2.89Å; R80-H99 VanDerWaalsContact NH2-O 3.15Å; H99-E121 IonicContact CE1-OE2 3.11Å; H99-E121 PolarHBondContact CE1-OE2 2.92Å; H99-E121 IonicContact NE2-OE2 3.87Å
100	S	43.6	Very low	52.8	Low	11 Å²	11	65.9 Å²	65.9	8%	0.077	30%	0.297	C	S	.	.			trans	-125.9	148.7	171	-147	0	0	0	0	111	T79 R80 C98 N122	T79-S100 WeakPolarHBondContact O-CB 3.34Å; T79-S100 PolarHBondContact O-OG 2.82Å; R80-S100 WeakPolarHBondContact CG-OG 3.23Å; R80-S100 PolarHBondContact NE-OG 3.39Å; C98-S100 PolarHBondContact O-N 3.43Å; S100-N122 PolarHBondContact N-OD1 2.94Å
101	R	50.3	Low	53.1	Low	211 Å²	211	66.2 Å²	66.2	80%	0.796	30%	0.299	S	S	*	.	S	Bend	trans	-87.8	-35.1	-169.3	-110.2	-178.6	-178.2	168.8	-0.3	113.5	A123	R101-A123 CarbonylContact C-O 3.58Å; R101-A123 CarbonylContact O-C 3.46Å; R101-A123 VanDerWaalsContact O-C 3.3Å; R101-A123 WeakPolarHBondContact O-CB 2.88Å
102	D	54.6	Low	53.3	Low	109 Å²	109	68.8 Å²	68.8	58%	0.583	31%	0.313	S	S	*	.			trans	-162.8	148.7	176.8	-64.7	-67.8	0	0	0	110.1	A123 G124	D102-A123 WeakPolarHBondContact CA-O 3.35Å; D102-G124 CarbonylContact C-O 3.57Å; D102-G124 VanDerWaalsContact CA-O 3.3Å; D102-G124 WeakPolarHBondContact CA-O 3.22Å
103	V	55.3	Low	53.3	Low	8 Å²	8	67.4 Å²	67.4	5%	0.048	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.8	170.3	170.9	0	0	0	0	110	T79 M95 G124 T126	T79-V103 WeakPolarHBondContact O-CG2 3.45Å; M95-V103 HydrophobicContact CE-CB 3.99Å; M95-V103 HydrophobicContact CE-CG2 3.27Å; V103-G124 PolarHBondContact N-O 3.1Å; V103-T126 PolarHBondContact O-N 3.21Å
104	A	61.6	Low	53.4	Low	39 Å²	39	69.3 Å²	69.3	32%	0.322	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	116.8	177.3	0	0	0	0	0	111.3	Q81 Q82 K83 T126	Q81-A104 VanDerWaalsContact O-O 3.14Å; Q82-A104 WeakPolarHBondContact CA-O 3.36Å; Q82-A104 HydrophobicContact CG-CB 4.5Å; K83-A104 PolarHBondContact N-O 3.03Å; A104-T126 CarbonylContact C-O 3.52Å; A104-T126 VanDerWaalsContact CA-O 3.28Å; A104-T126 WeakPolarHBondContact CA-O 3.5Å
105	T	63.2	Low	53.7	Low	2 Å²	2	68 Å²	68	1%	0.012	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139	177.1	-54.8	0	0	0	0	109.8	F75 A77 K83 L91 V107 T126 V127 S128	F75-T105 HydrophobicContact CE1-CG2 4.18Å; A77-T105 HydrophobicContact CB-CG2 4.19Å; K83-T105 HydrophobicContact CB-CG2 4.28Å; L91-T105 HydrophobicContact CD1-CG2 4.37Å; L91-T105 HydrophobicContact CD2-CG2 4.38Å; T105-V107 HydrophobicContact CG2-CG2 4.24Å; T105-T126 PolarHBondContact N-O 2.98Å; T105-V127 CarbonylContact O-C 3.58Å; T105-V127 WeakPolarHBondContact O-CA 3.25Å; T105-S128 PolarHBondContact O-N 3.07Å
106	S	59.9	Low	54	Low	47 Å²	47	69.8 Å²	69.8	33%	0.329	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.4	177.7	64.1	0	0	0	0	111.2	K83 S84 E85 S128	K83-S106 PolarHBondContact O-N 3.29Å; K83-S106 PolarHBondContact O-OG 3.02Å; S84-S106 CarbonylContact C-O 3.31Å; S84-S106 WeakPolarHBondContact CA-O 3.4Å; S84-S106 WeakPolarHBondContact CA-OG 3.31Å; S84-S106 WeakPolarHBondContact CB-OG 3.29Å; E85-S106 PolarHBondContact N-O 2.9Å; S106-S128 CarbonylContact C-O 3.57Å; S106-S128 VanDerWaalsContact CA-O 3.23Å; S106-S128 WeakPolarHBondContact CA-O 3.23Å
107	V	62.9	Low	54.1	Low	7 Å²	7	64.1 Å²	64.1	4%	0.042	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	139.1	-175.3	-179.3	0	0	0	0	108.6	E85 C88 L91 T105 R109 C110 S128 V129 A130	E85-V107 HydrophobicContact CB-CB 4.45Å; E85-V107 HydrophobicContact CB-CG1 4.15Å; E85-V107 HydrophobicContact CB-CG2 4.19Å; C88-V107 VanDerWaalsContact SG-CG1 3.53Å; L91-V107 HydrophobicContact CD1-CG2 3.32Å; L91-V107 HydrophobicContact CD2-CG2 3.81Å; L91-V107 HydrophobicContact CG-CG2 4.15Å; T105-V107 HydrophobicContact CG2-CG2 4.24Å; V107-R109 WeakPolarHBondContact CG1-O 3.13Å; V107-C110 HydrophobicContact CG1-CB 3.9Å; V107-S128 PolarHBondContact N-O 2.75Å; V107-V129 HydrophobicContact CB-CG1 4.28Å; V107-V129 HydrophobicContact CB-CG2 4.36Å; V107-V129 HydrophobicContact CG1-CG1 4.42Å; V107-V129 CarbonylContact O-C 3.57Å; V107-V129 VanDerWaalsContact O-CA 3.3Å; V107-V129 WeakPolarHBondContact O-CA 3.16Å; V107-A130 PolarHBondContact O-N 3.31Å
108	R	63.3	Low	54.2	Low	164 Å²	164	60.1 Å²	60.1	62%	0.619	28%	0.282	S	S	*	.	S	Bend	trans	-86	-43.9	178.7	-109.8	-177.9	175.6	180	-0.2	113.3	E85 R86 A130 T131	E85-R108 PolarHBondContact O-N 3.37Å; R86-R108 WeakPolarHBondContact O-CB 3.4Å; R108-A130 HydrophobicContact CG-CB 4.48Å; R108-A130 CarbonylContact O-C 3.56Å; R108-A130 WeakPolarHBondContact O-CB 3.5Å; R108-T131 PolarHBondContact O-N 3.13Å; R108-T131 PolarHBondContact O-OG1 2.95Å
109	R	62.5	Low	54.4	Low	157 Å²	157	65.6 Å²	65.6	59%	0.592	30%	0.297	S	S	*	.			trans	-137.1	134.9	173.7	-74.3	-165.4	176.2	109.1	-1.8	108.2	R86 S87 C88 V107 T131	R86-R109 PolarHBondContact O-N 2.9Å; S87-R109 CarbonylContact C-O 3.25Å; S87-R109 VanDerWaalsContact C-O 3.32Å; S87-R109 WeakPolarHBondContact CA-O 3.17Å; C88-R109 PolarHBondContact N-O 2.91Å; C88-R109 PolarHBondContact SG-O 2.97Å; V107-R109 WeakPolarHBondContact CG1-O 3.13Å; R109-T131 CarbonylContact C-O 3.56Å; R109-T131 VanDerWaalsContact CA-O 3.3Å; R109-T131 WeakPolarHBondContact CA-O 3.37Å; R109-T131 WeakPolarHBondContact CG-OG1 3.43Å
110	C	62	Low	54.3	Low	1 Å²	1	67.5 Å²	67.5	1%	0.007	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	133.7	166	-137.9	0	0	0	0	107.5	C88 L91 V107 V129 T131 C132	C88-C110 HydrophobicContact CB-CB 4.42Å; C88-C110 WeakPolarHBondContact CB-SG 3.3Å; C88-C110 WeakPolarHBondContact O-CA 3.18Å; C88-C110 WeakPolarHBondContact SG-CB 3.46Å; C88-C110 CovalentContact SG-SG 2.03Å; C88-C110 PolarHBondContact SG-SG 2.82Å; L91-C110 HydrophobicContact CB-CB 4.48Å; L91-C110 VanDerWaalsContact CB-SG 3.58Å; L91-C110 PolarHBondContact N-SG 2.85Å; V107-C110 HydrophobicContact CG1-CB 3.9Å; C110-V129 HydrophobicContact CB-CG1 4.49Å; C110-T131 PolarHBondContact N-O 3.17Å; C110-C132 WeakPolarHBondContact O-CA 3.47Å; C110-C132 WeakPolarHBondContact O-CB 3.1Å
111	D	63.6	Low	54.3	Low	72 Å²	72	73.5 Å²	73.5	39%	0.385	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-52.1	-179.9	-66.1	-8.2	0	0	0	108.7	C88 D89 D133 Y134	C88-D111 PolarHBondContact O-N 2.89Å; D89-D111 CarbonylContact O-C 3.51Å; D89-D111 WeakPolarHBondContact O-CA 3.34Å; D89-D111 WeakPolarHBondContact O-CB 3.05Å; D89-D111 PolarHBondContact O-N 2.04Å; D111-D133 HydrophobicContact CB-CB 4.48Å; D111-D133 CarbonylContact O-C 3.57Å; D111-D133 WeakPolarHBondContact O-CA 3.02Å; D111-D133 WeakPolarHBondContact O-CB 2.91Å; D111-D133 PolarHBondContact O-N 3.34Å; D111-Y134 PolarHBondContact O-N 2.77Å
112	D	62.7	Low	54.1	Low	57 Å²	57	64.2 Å²	64.2	31%	0.305	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	137.9	174.8	-66.5	-12.6	0	0	0	112.4	D89 D90 L91 Y134	D89-D112 PolarHBondContact O-N 2.82Å; D90-D112 WeakPolarHBondContact OD1-CB 3.3Å; L91-D112 PolarHBondContact N-O 2.96Å; D112-Y134 CarbonylContact C-O 3.54Å; D112-Y134 WeakPolarHBondContact CA-O 3.49Å; D112-Y134 WeakPolarHBondContact OD1-CB 3.33Å
113	T	60.9	Low	53.8	Low	0 Å²	0	60.8 Å²	60.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	114.6	174.6	-59.7	0	0	0	0	111.4	L91 V127 V129 Y134 V135 G136 M149	L91-T113 HydrophobicContact CB-CG2 4.31Å; L91-T113 HydrophobicContact CD2-CG2 3.82Å; T113-V127 HydrophobicContact CG2-CG1 4.19Å; T113-V129 HydrophobicContact CG2-CG2 3.98Å; T113-Y134 PolarHBondContact N-O 3.37Å; T113-V135 WeakPolarHBondContact O-CA 3.34Å; T113-G136 PolarHBondContact O-N 2.74Å; T113-M149 HydrophobicContact CG2-CE 4.26Å
114	N	61.8	Low	53.9	Low	47 Å²	47	61.3 Å²	61.3	25%	0.251	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	148	175.9	-75.4	-36	0	0	0	112.3	L91 N92 A93 G136	L91-N114 WeakPolarHBondContact O-CA 3.39Å; L91-N114 PolarHBondContact O-N 2.89Å; N92-N114 WeakPolarHBondContact CA-O 3.16Å; A93-N114 PolarHBondContact N-O 3.26Å; A93-N114 VanDerWaalsContact N-O 3.08Å; N114-G136 WeakPolarHBondContact OD1-CA 3.3Å; N114-G136 PolarHBondContact OD1-O 2.82Å; N114-G136 VanDerWaalsContact OD1-O 3.08Å
115	A	57.2	Low	53.8	Low	4 Å²	4	59.8 Å²	59.8	3%	0.033	27%	0.272	C	S	.	.			trans	-133.1	94.4	175.9	0	0	0	0	0	111.2	A93 K137 M149	A93-A115 HydrophobicContact CB-CB 4.41Å; A115-K137 HydrophobicContact CB-CD 4.35Å; A115-K137 VanDerWaalsContact O-CD 3.28Å; A115-K137 WeakPolarHBondContact O-CD 3.06Å; A115-K137 WeakPolarHBondContact O-CE 3.42Å; A115-K137 WeakPolarHBondContact O-CG 3.12Å; A115-M149 HydrophobicContact CB-CE 3.84Å
116	E	48.2	Very low	53.9	Low	43 Å²	43	62.2 Å²	62.2	20%	0.201	29%	0.287	C	S	.	.			trans	-92	133.5	179.2	-71.9	-173.5	-143.1	0	0	113.2	N92 A93 E94 M95	N92-E116 PolarHBondContact ND2-OE1 3.13Å; N92-E116 VanDerWaalsContact ND2-OE1 3.08Å; N92-E116 PolarHBondContact OD1-N 2.97Å; A93-E116 VanDerWaalsContact O-O 3.11Å; E94-E116 WeakPolarHBondContact CA-O 3.3Å; E94-E116 HydrophobicContact CG-CB 4.07Å; M95-E116 PolarHBondContact N-O 3.04Å
117	M	42.2	Very low	54.2	Low	9 Å²	9	60 Å²	60	4%	0.044	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.6	173.9	-84.8	-166.5	-75.4	0	0	112	M95 V125 M139 N144 V147	M95-M117 HydrophobicContact CB-CG 4.07Å; M117-V125 HydrophobicContact SD-CG2 3.99Å; M117-M139 HydrophobicContact CB-SD 4.22Å; M117-M139 HydrophobicContact CE-SD 3.83Å; M117-N144 WeakPolarHBondContact CB-ND2 3.04Å; M117-N144 HydrophobicContact CE-CB 3.49Å; M117-N144 VanDerWaalsContact CE-CB 3.49Å; M117-N144 HydrophobicContact SD-CB 3.99Å; M117-N144 VanDerWaalsContact SD-CG 3.57Å; M117-V147 HydrophobicContact CE-CG2 3.39Å
118	W	35.8	Very low	54.5	Low	97 Å²	97	61.8 Å²	61.8	37%	0.367	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	110.6	175.7	-73	86.3	0	0	0	111.8	M95 R96 W140	M95-W118 PolarHBondContact O-N 2.82Å; R96-W118 HydrophobicContact CG-CB 4.46Å; W118-W140 HydrophobicContact CE3-CB 4.42Å; W118-W140 HydrophobicContact CH2-CB 3.86Å; W118-W140 HydrophobicContact CH2-CG 4.17Å; W118-W140 HydrophobicContact CZ2-CB 4.07Å; W118-W140 HydrophobicContact CZ2-CG 4.27Å; W118-W140 HydrophobicContact CZ3-CB 4.04Å
119	R	34.2	Very low	54.7	Low	153 Å²	153	54.1 Å²	54.1	58%	0.577	26%	0.255	S	S	*	.	S	Bend	trans	81	163.4	167.8	-77.7	-170.9	-173	179.7	5.7	121.3	E121	R119-E121 PolarHBondContact O-N 2.78Å
120	R	34.6	Very low	55	Low	180 Å²	180	48.4 Å²	48.4	68%	0.679	24%	0.242	S	C	*	.	S	Bend	trans	-57.5	-10.7	-140.3	-93.1	-175.7	-177.8	-172.2	2.1	124
121	E	43.2	Very low	55.4	Low	137 Å²	137	50.5 Å²	50.5	64%	0.64	26%	0.255	S	S	*	.			trans	-151.2	68.2	-168.2	-69.4	-176.5	153.5	0	0	114	H99 R119	H99-E121 IonicContact CE1-OE2 3.11Å; H99-E121 PolarHBondContact CE1-OE2 2.92Å; H99-E121 IonicContact NE2-OE2 3.87Å; R119-E121 PolarHBondContact O-N 2.78Å
122	N	45.9	Very low	55.7	Low	16 Å²	16	47.3 Å²	47.3	9%	0.086	24%	0.238	C	C	.	.			trans	-123	142.3	171.5	-71	-46.3	0	0	0	112.7	M95 C98 S100	M95-N122 HydrophobicContact CE-CB 4.49Å; M95-N122 HydrophobicContact SD-CB 3.43Å; M95-N122 WeakPolarHBondContact SD-CB 3.14Å; M95-N122 PolarHBondContact SD-ND2 2.88Å; C98-N122 PolarHBondContact O-OD1 3.11Å; S100-N122 PolarHBondContact N-OD1 2.94Å
123	A	49.6	Very low	56	Low	37 Å²	37	49.4 Å²	49.4	31%	0.306	25%	0.249	S	C	.	.			trans	-100.2	131.8	175.1	0	0	0	0	0	108.5	R101 D102	R101-A123 CarbonylContact C-O 3.58Å; R101-A123 CarbonylContact O-C 3.46Å; R101-A123 VanDerWaalsContact O-C 3.3Å; R101-A123 WeakPolarHBondContact O-CB 2.88Å; D102-A123 WeakPolarHBondContact CA-O 3.35Å
124	G	57.3	Low	56.2	Low	19 Å²	19	53 Å²	53	20%	0.196	26%	0.264	C	S	.	.			trans	50.9	114.1	165.4	0	0	0	0	0	119.6	D102 V103 G146	D102-G124 CarbonylContact C-O 3.57Å; D102-G124 VanDerWaalsContact CA-O 3.3Å; D102-G124 WeakPolarHBondContact CA-O 3.22Å; V103-G124 PolarHBondContact N-O 3.1Å; G124-G146 WeakPolarHBondContact CA-O 3.35Å
125	V	59.6	Low	56.4	Low	6 Å²	6	51 Å²	51	4%	0.036	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.9	159.8	-179.6	0	0	0	0	109.1	M95 M117 V127 G146 V147 T148	M95-V125 HydrophobicContact CE-CG2 3.83Å; M117-V125 HydrophobicContact SD-CG2 3.99Å; V125-V127 HydrophobicContact CG1-CG2 3.97Å; V125-G146 PolarHBondContact N-O 2.74Å; V125-V147 HydrophobicContact CB-CG1 4.37Å; V125-V147 HydrophobicContact CB-CG2 4.38Å; V125-V147 CarbonylContact O-C 3.57Å; V125-V147 WeakPolarHBondContact O-CA 3.38Å; V125-T148 PolarHBondContact O-N 2.9Å
126	T	65.4	Low	56.6	Low	53 Å²	53	50.9 Å²	50.9	33%	0.325	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.3	172.8	-56.5	0	0	0	0	109.7	V103 A104 T105 T148	V103-T126 PolarHBondContact O-N 3.21Å; A104-T126 CarbonylContact C-O 3.52Å; A104-T126 VanDerWaalsContact CA-O 3.28Å; A104-T126 WeakPolarHBondContact CA-O 3.5Å; T105-T126 PolarHBondContact N-O 2.98Å; T126-T148 CarbonylContact C-O 3.5Å; T126-T148 VanDerWaalsContact CA-O 3.24Å; T126-T148 WeakPolarHBondContact CA-O 3.29Å
127	V	65.8	Low	57.2	Low	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.3	173.7	-173.8	0	0	0	0	108.4	L91 A93 T105 T113 V125 V129 T148 M149 S150	L91-V127 HydrophobicContact CD2-CG1 3.78Å; A93-V127 HydrophobicContact CB-CG2 4.31Å; T105-V127 CarbonylContact O-C 3.58Å; T105-V127 WeakPolarHBondContact O-CA 3.25Å; T113-V127 HydrophobicContact CG2-CG1 4.19Å; V125-V127 HydrophobicContact CG1-CG2 3.97Å; V127-V129 HydrophobicContact CG1-CG2 3.88Å; V127-T148 PolarHBondContact N-O 2.85Å; V127-M149 HydrophobicContact CB-CG 4.21Å; V127-M149 CarbonylContact O-C 3.57Å; V127-M149 WeakPolarHBondContact O-CA 3.48Å; V127-S150 PolarHBondContact O-N 2.98Å
128	S	69.2	Low	57.1	Low	46 Å²	46	53.9 Å²	53.9	32%	0.322	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	113.8	176.4	-62.7	0	0	0	0	110.2	T105 S106 V107 S150	T105-S128 PolarHBondContact O-N 3.07Å; S106-S128 CarbonylContact C-O 3.57Å; S106-S128 VanDerWaalsContact CA-O 3.23Å; S106-S128 WeakPolarHBondContact CA-O 3.23Å; V107-S128 PolarHBondContact N-O 2.75Å; S128-S150 CarbonylContact C-O 3.4Å; S128-S150 VanDerWaalsContact CA-O 3.26Å; S128-S150 WeakPolarHBondContact CA-O 3.49Å
129	V	66.5	Low	57.2	Low	2 Å²	2	50.7 Å²	50.7	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.7	179.4	-169	0	0	0	0	109.9	V107 C110 T113 V127 T131 C132 S150 L151 Q152	V107-V129 HydrophobicContact CB-CG1 4.28Å; V107-V129 HydrophobicContact CB-CG2 4.36Å; V107-V129 HydrophobicContact CG1-CG1 4.42Å; V107-V129 CarbonylContact O-C 3.57Å; V107-V129 VanDerWaalsContact O-CA 3.3Å; V107-V129 WeakPolarHBondContact O-CA 3.16Å; C110-V129 HydrophobicContact CB-CG1 4.49Å; T113-V129 HydrophobicContact CG2-CG2 3.98Å; V127-V129 HydrophobicContact CG1-CG2 3.88Å; V129-T131 WeakPolarHBondContact CG1-O 3.24Å; V129-C132 HydrophobicContact CG1-CB 4.14Å; V129-S150 PolarHBondContact N-O 2.86Å; V129-L151 HydrophobicContact CB-CD2 3.61Å; V129-L151 HydrophobicContact CG2-CD2 3.79Å; V129-L151 CarbonylContact O-C 3.55Å; V129-L151 VanDerWaalsContact O-CA 3.27Å; V129-L151 WeakPolarHBondContact O-CA 3.4Å; V129-Q152 PolarHBondContact O-N 2.88Å
130	A	70.2	Confident	57.1	Low	37 Å²	37	49.8 Å²	49.8	31%	0.306	25%	0.252	S	S	.	.	S	Bend	trans	-84.7	-27.1	-179.8	0	0	0	0	0	113.4	V107 R108 Q152 R153	V107-A130 PolarHBondContact O-N 3.31Å; R108-A130 HydrophobicContact CG-CB 4.48Å; R108-A130 CarbonylContact O-C 3.56Å; R108-A130 WeakPolarHBondContact O-CB 3.5Å; A130-Q152 HydrophobicContact CB-CG 4.44Å; A130-Q152 VanDerWaalsContact O-CB 3.27Å; A130-Q152 WeakPolarHBondContact O-CB 3.39Å; A130-R153 PolarHBondContact O-N 3.27Å
131	T	70.4	Confident	57	Low	45 Å²	45	46.7 Å²	46.7	28%	0.276	25%	0.245	S	C	.	.	S	Bend	trans	-152.1	130.3	177.3	-9.7	0	0	0	0	107.9	R108 R109 C110 V129 R153	R108-T131 PolarHBondContact O-N 3.13Å; R108-T131 PolarHBondContact O-OG1 2.95Å; R109-T131 CarbonylContact C-O 3.56Å; R109-T131 VanDerWaalsContact CA-O 3.3Å; R109-T131 WeakPolarHBondContact CA-O 3.37Å; R109-T131 WeakPolarHBondContact CG-OG1 3.43Å; C110-T131 PolarHBondContact N-O 3.17Å; V129-T131 WeakPolarHBondContact CG1-O 3.24Å; T131-R153 CarbonylContact C-O 3.46Å; T131-R153 WeakPolarHBondContact CA-O 3.33Å; T131-R153 HydrophobicContact CG2-CB 3.94Å
132	C	69.9	Low	56.4	Low	6 Å²	6	46.9 Å²	46.9	4%	0.041	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	168.4	169	86.1	0	0	0	0	113.7	C110 V129 V135 R153 C154 G155	C110-C132 WeakPolarHBondContact O-CA 3.47Å; C110-C132 WeakPolarHBondContact O-CB 3.1Å; V129-C132 HydrophobicContact CG1-CB 4.14Å; C132-V135 WeakPolarHBondContact SG-CG2 3.49Å; C132-R153 PolarHBondContact N-O 3.02Å; C132-C154 HydrophobicContact CB-CB 4.37Å; C132-C154 WeakPolarHBondContact CB-SG 3.35Å; C132-C154 CarbonylContact O-C 3.55Å; C132-C154 WeakPolarHBondContact O-CA 3.43Å; C132-C154 WeakPolarHBondContact SG-CB 3.38Å; C132-C154 CovalentContact SG-SG 2.02Å; C132-C154 PolarHBondContact SG-SG 3.19Å; C132-G155 PolarHBondContact O-N 2.88Å; C132-G155 VanDerWaalsContact O-N 3.11Å
133	D	69	Low	56.3	Low	101 Å²	101	55.8 Å²	55.8	54%	0.54	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-41.4	173.1	-70.5	-1.9	0	0	0	109.5	D111 G155 D156	D111-D133 HydrophobicContact CB-CB 4.48Å; D111-D133 CarbonylContact O-C 3.57Å; D111-D133 WeakPolarHBondContact O-CA 3.02Å; D111-D133 WeakPolarHBondContact O-CB 2.91Å; D111-D133 PolarHBondContact O-N 3.34Å; D133-G155 CarbonylContact O-C 3.54Å; D133-G155 WeakPolarHBondContact O-CA 3.24Å; D133-G155 PolarHBondContact O-N 2.01Å; D133-D156 PolarHBondContact O-N 3.31Å
134	Y	64.8	Low	56.2	Low	76 Å²	76	55 Å²	55	30%	0.298	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.4	178.3	179.8	-101.3	0	0	0	113.3	D111 D112 T113 G136 D156 A158	D111-Y134 PolarHBondContact O-N 2.77Å; D112-Y134 CarbonylContact C-O 3.54Å; D112-Y134 WeakPolarHBondContact CA-O 3.49Å; D112-Y134 WeakPolarHBondContact OD1-CB 3.33Å; T113-Y134 PolarHBondContact N-O 3.37Å; Y134-G136 VanDerWaalsContact CE1-CA 3.42Å; Y134-D156 CarbonylContact C-O 3.59Å; Y134-D156 WeakPolarHBondContact CA-O 3.23Å; Y134-D156 HydrophobicContact CD2-CB 3.64Å; Y134-D156 HydrophobicContact CE2-CB 4.34Å; Y134-A158 HydrophobicContact CE2-CB 4.33Å
135	V	64.6	Low	55.9	Low	3 Å²	3	64.5 Å²	64.5	2%	0.018	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	115	166.2	-176.6	0	0	0	0	110.3	T113 C132 M149 L151 C154 D156 V157 A158	T113-V135 WeakPolarHBondContact O-CA 3.34Å; C132-V135 WeakPolarHBondContact SG-CG2 3.49Å; V135-M149 HydrophobicContact CG1-CE 3.77Å; V135-M149 HydrophobicContact CG1-SD 3.76Å; V135-L151 HydrophobicContact CB-CD1 4.27Å; V135-L151 HydrophobicContact CG1-CD1 4.36Å; V135-L151 HydrophobicContact CG2-CD1 3.52Å; V135-L151 HydrophobicContact CG2-CD2 4Å; V135-L151 HydrophobicContact CG2-CG 4.4Å; V135-C154 HydrophobicContact CG2-CB 4.37Å; V135-D156 PolarHBondContact N-O 3.47Å; V135-V157 HydrophobicContact CB-CB 4.41Å; V135-V157 HydrophobicContact CB-CG1 4.16Å; V135-V157 HydrophobicContact CB-CG2 3.96Å; V135-V157 HydrophobicContact CG1-CG1 4.49Å; V135-V157 HydrophobicContact CG2-CG2 4.06Å; V135-A158 PolarHBondContact O-N 2.91Å
136	G	61.7	Low	55.9	Low	2 Å²	2	65.1 Å²	65.1	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	175.6	176	0	0	0	0	0	112.7	T113 N114 Y134	T113-G136 PolarHBondContact O-N 2.74Å; N114-G136 WeakPolarHBondContact OD1-CA 3.3Å; N114-G136 PolarHBondContact OD1-O 2.82Å; N114-G136 VanDerWaalsContact OD1-O 3.08Å; Y134-G136 VanDerWaalsContact CE1-CA 3.42Å
137	K	60.3	Low	55.7	Low	10 Å²	10	62.8 Å²	62.8	4%	0.043	29%	0.287	C	S	.	.			trans	-152.6	138.7	170.3	-176.4	145.1	170.4	-92.5	0	110.9	A115 M139 Q160 N161	A115-K137 HydrophobicContact CB-CD 4.35Å; A115-K137 VanDerWaalsContact O-CD 3.28Å; A115-K137 WeakPolarHBondContact O-CD 3.06Å; A115-K137 WeakPolarHBondContact O-CE 3.42Å; A115-K137 WeakPolarHBondContact O-CG 3.12Å; K137-M139 HydrophobicContact CD-CG 4.34Å; K137-M139 WeakPolarHBondContact CE-SD 3.13Å; K137-M139 HydrophobicContact CG-CG 4.15Å; K137-M139 VanDerWaalsContact NZ-CG 3.33Å; K137-M139 PolarHBondContact NZ-SD 2.85Å; K137-Q160 HydrophobicContact CB-CB 4.14Å; K137-Q160 WeakPolarHBondContact CD-O 3.45Å; K137-Q160 WeakPolarHBondContact CG-O 3.35Å; K137-Q160 PolarHBondContact NZ-O 2.71Å; K137-Q160 VanDerWaalsContact O-CB 3.24Å; K137-Q160 WeakPolarHBondContact O-CB 3.3Å; K137-Q160 WeakPolarHBondContact O-CG 3.45Å; K137-Q160 PolarHBondContact O-OE1 3.27Å; K137-N161 PolarHBondContact NZ-O 3.03Å
138	E	42	Very low	55.8	Low	106 Å²	106	64.8 Å²	64.8	50%	0.495	30%	0.3	S	S	.	.			trans	-112.3	131	155.2	-70	-155.5	165.5	0	0	109.1	W140	E138-W140 PolarHBondContact OE2-NE1 2.88Å
139	M	37.6	Very low	55.8	Low	29 Å²	29	62.8 Å²	62.8	14%	0.143	29%	0.286	C	S	.	.			trans	-127.3	128	167	-81.1	-155.9	-45.6	0	0	111.9	M117 K137 N161	M117-M139 HydrophobicContact CB-SD 4.22Å; M117-M139 HydrophobicContact CE-SD 3.83Å; K137-M139 HydrophobicContact CD-CG 4.34Å; K137-M139 WeakPolarHBondContact CE-SD 3.13Å; K137-M139 HydrophobicContact CG-CG 4.15Å; K137-M139 VanDerWaalsContact NZ-CG 3.33Å; K137-M139 PolarHBondContact NZ-SD 2.85Å; M139-N161 HydrophobicContact CB-CB 4.23Å; M139-N161 HydrophobicContact CE-CB 3.73Å; M139-N161 WeakPolarHBondContact CE-O 3.41Å
140	W	32	Very low	56.2	Low	135 Å²	135	64.8 Å²	64.8	51%	0.511	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-109.6	118	172.2	-68	88.8	0	0	0	110.4	W118 E138	W118-W140 HydrophobicContact CE3-CB 4.42Å; W118-W140 HydrophobicContact CH2-CB 3.86Å; W118-W140 HydrophobicContact CH2-CG 4.17Å; W118-W140 HydrophobicContact CZ2-CB 4.07Å; W118-W140 HydrophobicContact CZ2-CG 4.27Å; W118-W140 HydrophobicContact CZ3-CB 4.04Å; E138-W140 PolarHBondContact OE2-NE1 2.88Å
141	E	32.2	Very low	56.3	Low	115 Å²	115	63.1 Å²	63.1	54%	0.537	29%	0.285	S	S	.	.	S	Bend	trans	75.7	108.9	170.1	-67.8	-166.7	137.2	0	0	121.6
142	Y	31.3	Very low	56.6	Low	140 Å²	140	64.5 Å²	64.5	55%	0.549	29%	0.289	S	S	.	.	S	Bend	trans	34.8	112.3	143.1	-66.7	-83.7	0	0	0	121.6
143	R	42.5	Very low	56.9	Low	203 Å²	203	70.9 Å²	70.9	77%	0.766	31%	0.312	S	S	*	.			trans	81.2	63.7	160.6	-65.5	-175.1	174.5	165.1	-1.4	117.6
144	N	46.9	Very low	56.9	Low	21 Å²	21	66.2 Å²	66.2	11%	0.112	29%	0.287	C	S	.	.			trans	-98.3	144	163.7	-65.1	-39.8	0	0	0	111	M117	M117-N144 WeakPolarHBondContact CB-ND2 3.04Å; M117-N144 HydrophobicContact CE-CB 3.49Å; M117-N144 VanDerWaalsContact CE-CB 3.49Å; M117-N144 HydrophobicContact SD-CB 3.99Å; M117-N144 VanDerWaalsContact SD-CG 3.57Å
145	R	52.9	Low	57.1	Low	218 Å²	218	63.1 Å²	63.1	82%	0.823	28%	0.278	S	S	*	.			trans	-98.1	13.3	-166.3	-120.9	-177.2	-171.5	165	2.5	115.8
146	G	59.3	Low	57.3	Low	19 Å²	19	65.8 Å²	65.8	20%	0.196	29%	0.292	C	S	.	.			trans	139	126.7	176.8	0	0	0	0	0	113.6	G124 V125 D163	G124-G146 WeakPolarHBondContact CA-O 3.35Å; V125-G146 PolarHBondContact N-O 2.74Å; G146-D163 CarbonylContact C-O 3.51Å; G146-D163 WeakPolarHBondContact CA-O 3.44Å
147	V	61.3	Low	57.4	Low	4 Å²	4	65.7 Å²	65.7	2%	0.024	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.4	163.8	-179.5	0	0	0	0	108.1	M117 V125 M149 D163 V164 M165	M117-V147 HydrophobicContact CE-CG2 3.39Å; V125-V147 HydrophobicContact CB-CG1 4.37Å; V125-V147 HydrophobicContact CB-CG2 4.38Å; V125-V147 CarbonylContact O-C 3.57Å; V125-V147 WeakPolarHBondContact O-CA 3.38Å; V147-M149 HydrophobicContact CG1-CG 4.18Å; V147-D163 PolarHBondContact N-O 2.89Å; V147-V164 HydrophobicContact CB-CG2 4.3Å; V147-V164 CarbonylContact O-C 3.57Å; V147-V164 WeakPolarHBondContact O-CA 3.24Å; V147-M165 PolarHBondContact O-N 3.12Å
148	T	67.6	Low	57.6	Low	43 Å²	43	65.3 Å²	65.3	26%	0.264	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.3	173.1	-54.1	0	0	0	0	109.1	V125 T126 V127 M165	V125-T148 PolarHBondContact O-N 2.9Å; T126-T148 CarbonylContact C-O 3.5Å; T126-T148 VanDerWaalsContact CA-O 3.24Å; T126-T148 WeakPolarHBondContact CA-O 3.29Å; V127-T148 PolarHBondContact N-O 2.85Å; T148-M165 CarbonylContact C-O 3.58Å; T148-M165 VanDerWaalsContact CA-O 3.25Å; T148-M165 WeakPolarHBondContact CA-O 3.33Å; T148-M165 HydrophobicContact CG2-CB 4.44Å
149	M	68.2	Low	58.4	Low	4 Å²	4	61.7 Å²	61.7	2%	0.02	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.5	173.3	-70.5	172.1	140.3	0	0	109	T113 A115 V127 V135 V147 M165 I166 S167	T113-M149 HydrophobicContact CG2-CE 4.26Å; A115-M149 HydrophobicContact CB-CE 3.84Å; V127-M149 HydrophobicContact CB-CG 4.21Å; V127-M149 CarbonylContact O-C 3.57Å; V127-M149 WeakPolarHBondContact O-CA 3.48Å; V135-M149 HydrophobicContact CG1-CE 3.77Å; V135-M149 HydrophobicContact CG1-SD 3.76Å; V147-M149 HydrophobicContact CG1-CG 4.18Å; M149-M165 PolarHBondContact N-O 2.95Å; M149-I166 HydrophobicContact CB-CG1 3.99Å; M149-I166 HydrophobicContact CB-CG2 4.5Å; M149-I166 WeakPolarHBondContact O-CA 3.41Å; M149-I166 HydrophobicContact SD-CG1 4.19Å; M149-S167 PolarHBondContact O-N 2.84Å
150	S	75.1	Confident	59.3	Low	44 Å²	44	62.2 Å²	62.2	31%	0.308	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	101.9	176.3	-70.3	0	0	0	0	109.4	V127 S128 V129 S167	V127-S150 PolarHBondContact O-N 2.98Å; S128-S150 CarbonylContact C-O 3.4Å; S128-S150 VanDerWaalsContact CA-O 3.26Å; S128-S150 WeakPolarHBondContact CA-O 3.49Å; V129-S150 PolarHBondContact N-O 2.86Å; S150-S167 CarbonylContact C-O 3.58Å; S150-S167 WeakPolarHBondContact CA-O 3.35Å
151	L	72.6	Confident	60.2	Low	1 Å²	1	57.2 Å²	57.2	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	137	-173.7	-51.5	164.6	0	0	0	109.5	V129 V135 C154 V157 I166 S167 M168 R169	V129-L151 HydrophobicContact CB-CD2 3.61Å; V129-L151 HydrophobicContact CG2-CD2 3.79Å; V129-L151 CarbonylContact O-C 3.55Å; V129-L151 VanDerWaalsContact O-CA 3.27Å; V129-L151 WeakPolarHBondContact O-CA 3.4Å; V135-L151 HydrophobicContact CB-CD1 4.27Å; V135-L151 HydrophobicContact CG1-CD1 4.36Å; V135-L151 HydrophobicContact CG2-CD1 3.52Å; V135-L151 HydrophobicContact CG2-CD2 4Å; V135-L151 HydrophobicContact CG2-CG 4.4Å; L151-C154 HydrophobicContact CD1-CB 4.49Å; L151-V157 HydrophobicContact CD1-CG2 4.06Å; L151-I166 HydrophobicContact CD1-CG2 4.07Å; L151-S167 PolarHBondContact N-O 2.96Å; L151-M168 HydrophobicContact CB-CG 3.53Å; L151-M168 HydrophobicContact CB-SD 4.44Å; L151-M168 HydrophobicContact CD1-CE 4.39Å; L151-M168 HydrophobicContact CD1-CG 3.84Å; L151-M168 HydrophobicContact CD1-SD 3.97Å; L151-M168 HydrophobicContact CG-CG 4.23Å; L151-M168 VanDerWaalsContact O-CA 3.3Å; L151-M168 WeakPolarHBondContact O-CA 3.31Å; L151-R169 PolarHBondContact O-N 2.95Å; L151-R169 VanDerWaalsContact O-N 3.15Å
152	Q	75.8	Confident	61.3	Low	75 Å²	75	52.5 Å²	52.5	35%	0.35	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-46.5	177.5	-65.3	-74.5	-61.2	0	0	112.3	V129 A130 R169 R170	V129-Q152 PolarHBondContact O-N 2.88Å; A130-Q152 HydrophobicContact CB-CG 4.44Å; A130-Q152 VanDerWaalsContact O-CB 3.27Å; A130-Q152 WeakPolarHBondContact O-CB 3.39Å; Q152-R169 WeakPolarHBondContact O-CB 3.22Å; Q152-R169 VanDerWaalsContact OE1-CZ 3.27Å; Q152-R170 PolarHBondContact O-N 2.8Å
153	R	76.8	Confident	62.7	Low	140 Å²	140	49.3 Å²	49.3	53%	0.528	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	125.7	174.3	-70.8	-177.5	-176.8	-164.5	0.8	107.6	A130 T131 C132 R170	A130-R153 PolarHBondContact O-N 3.27Å; T131-R153 CarbonylContact C-O 3.46Å; T131-R153 WeakPolarHBondContact CA-O 3.33Å; T131-R153 HydrophobicContact CG2-CB 3.94Å; C132-R153 PolarHBondContact N-O 3.02Å; R153-R170 WeakPolarHBondContact CA-O 3.38Å; R153-R170 HydrophobicContact CG-CB 3.95Å
154	C	69.1	Low	63.6	Low	3 Å²	3	39.9 Å²	39.9	2%	0.02	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	134.9	173.2	-82.2	0	0	0	0	109.2	C132 V135 L151 V157 M168 R170 C171 D172	C132-C154 HydrophobicContact CB-CB 4.37Å; C132-C154 WeakPolarHBondContact CB-SG 3.35Å; C132-C154 CarbonylContact O-C 3.55Å; C132-C154 WeakPolarHBondContact O-CA 3.43Å; C132-C154 WeakPolarHBondContact SG-CB 3.38Å; C132-C154 CovalentContact SG-SG 2.02Å; C132-C154 PolarHBondContact SG-SG 3.19Å; V135-C154 HydrophobicContact CG2-CB 4.37Å; L151-C154 HydrophobicContact CD1-CB 4.49Å; C154-V157 HydrophobicContact CB-CG2 3.96Å; C154-M168 HydrophobicContact CB-SD 4.25Å; C154-R170 PolarHBondContact N-O 3.43Å; C154-C171 WeakPolarHBondContact O-CA 3.37Å; C154-C171 WeakPolarHBondContact O-CB 3.4Å; C154-D172 PolarHBondContact O-N 3.5Å
155	G	68.6	Low	64.7	Low	11 Å²	11	44 Å²	44	11%	0.113	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	-67.6	175.1	0	0	0	0	0	110.2	C132 D133 D172 D173	C132-G155 PolarHBondContact O-N 2.88Å; C132-G155 VanDerWaalsContact O-N 3.11Å; D133-G155 CarbonylContact O-C 3.54Å; D133-G155 WeakPolarHBondContact O-CA 3.24Å; D133-G155 PolarHBondContact O-N 2.01Å; G155-D172 PolarHBondContact O-N 2.9Å; G155-D173 PolarHBondContact O-N 2.85Å
156	D	68.5	Low	65.5	Low	58 Å²	58	33.7 Å²	33.7	31%	0.31	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.1	-171.6	-73.8	-9.2	0	0	0	112.4	D133 Y134 V135 D173	D133-D156 PolarHBondContact O-N 3.31Å; Y134-D156 CarbonylContact C-O 3.59Å; Y134-D156 WeakPolarHBondContact CA-O 3.23Å; Y134-D156 HydrophobicContact CD2-CB 3.64Å; Y134-D156 HydrophobicContact CE2-CB 4.34Å; V135-D156 PolarHBondContact N-O 3.47Å; D156-D173 WeakPolarHBondContact CA-O 3.28Å; D156-D173 WeakPolarHBondContact OD1-CB 2.77Å
157	V	64.3	Low	66.2	Low	1 Å²	1	35.7 Å²	35.7	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	121.7	174.7	179.6	0	0	0	0	114.1	V135 L151 C154 I166 M168 D173 S175	V135-V157 HydrophobicContact CB-CB 4.41Å; V135-V157 HydrophobicContact CB-CG1 4.16Å; V135-V157 HydrophobicContact CB-CG2 3.96Å; V135-V157 HydrophobicContact CG1-CG1 4.49Å; V135-V157 HydrophobicContact CG2-CG2 4.06Å; L151-V157 HydrophobicContact CD1-CG2 4.06Å; C154-V157 HydrophobicContact CB-CG2 3.96Å; V157-I166 HydrophobicContact CG1-CD1 3.93Å; V157-I166 HydrophobicContact CG1-CG2 4.4Å; V157-M168 HydrophobicContact CB-CE 3.56Å; V157-M168 HydrophobicContact CB-SD 4.22Å; V157-M168 HydrophobicContact CG1-CE 3.64Å; V157-M168 HydrophobicContact CG2-CE 3.33Å; V157-M168 HydrophobicContact CG2-SD 3.33Å; V157-M168 WeakPolarHBondContact CG2-SD 3.48Å; V157-D173 PolarHBondContact N-O 2.9Å; V157-S175 PolarHBondContact O-N 3.22Å; V157-S175 VanDerWaalsContact O-O 3.08Å
158	A	66.1	Low	66.9	Low	2 Å²	2	35.8 Å²	35.8	2%	0.017	19%	0.193	C	C	.	.			trans	-124.3	86.4	-179.6	0	0	0	0	0	112.6	Y134 V135 Q160 S175	Y134-A158 HydrophobicContact CE2-CB 4.33Å; V135-A158 PolarHBondContact O-N 2.91Å; A158-Q160 PolarHBondContact O-N 3.25Å; A158-S175 WeakPolarHBondContact CA-O 3.38Å; A158-S175 VanDerWaalsContact CB-O 3.24Å; A158-S175 WeakPolarHBondContact CB-O 3.29Å
159	P	57.3	Low	67.3	Low	29 Å²	29	41 Å²	41	19%	0.188	21%	0.208	C	C	.	.			trans	-67.7	122.5	176	11.8	-9.9	0	0	0	112	I166 V186 V188	P159-I166 HydrophobicContact CB-CD1 3.47Å; P159-I166 VanDerWaalsContact CB-CD1 3.47Å; P159-I166 HydrophobicContact CG-CD1 3.68Å; P159-V186 HydrophobicContact CB-CG1 4.16Å; P159-V186 HydrophobicContact CG-CG1 4.26Å; P159-V188 HydrophobicContact CG-CG2 4Å
160	Q	56.3	Low	67.8	Low	40 Å²	40	47.3 Å²	47.3	19%	0.187	23%	0.232	C	C	.	.			trans	-117.2	133.3	170.2	-55	-169.9	6.3	0	0	113.2	K137 A158 E177	K137-Q160 HydrophobicContact CB-CB 4.14Å; K137-Q160 WeakPolarHBondContact CD-O 3.45Å; K137-Q160 WeakPolarHBondContact CG-O 3.35Å; K137-Q160 PolarHBondContact NZ-O 2.71Å; K137-Q160 VanDerWaalsContact O-CB 3.24Å; K137-Q160 WeakPolarHBondContact O-CB 3.3Å; K137-Q160 WeakPolarHBondContact O-CG 3.45Å; K137-Q160 PolarHBondContact O-OE1 3.27Å; A158-Q160 PolarHBondContact O-N 3.25Å; Q160-E177 PolarHBondContact NE2-O 2.98Å
161	N	52.2	Low	67.7	Low	30 Å²	30	45.4 Å²	45.4	16%	0.16	22%	0.219	C	C	.	.	S	Bend	trans	55.8	138.9	168.8	-64.1	-13.5	0	0	0	119.3	K137 M139 V164 N183	K137-N161 PolarHBondContact NZ-O 3.03Å; M139-N161 HydrophobicContact CB-CB 4.23Å; M139-N161 HydrophobicContact CE-CB 3.73Å; M139-N161 WeakPolarHBondContact CE-O 3.41Å; N161-V164 WeakPolarHBondContact O-CG2 3.46Å; N161-N183 WeakPolarHBondContact CA-OD1 3.49Å; N161-N183 WeakPolarHBondContact CB-OD1 3.46Å; N161-N183 PolarHBondContact OD1-ND2 3.31Å; N161-N183 PolarHBondContact OD1-OD1 2.8Å
162	G	55.1	Low	67.6	Low	16 Å²	16	49.4 Å²	49.4	17%	0.165	24%	0.24	C	C	.	.	S	Bend	trans	84.3	176.9	173	0	0	0	0	0	116.1	V164 N183 A184	G162-V164 PolarHBondContact O-N 2.83Å; G162-N183 PolarHBondContact N-OD1 2.83Å; G162-A184 CarbonylContact C-O 3.59Å
163	D	59.4	Low	67.2	Low	74 Å²	74	48.9 Å²	48.9	40%	0.396	24%	0.239	S	C	.	.	S	Bend	trans	-67.4	103.4	173.9	-69.8	-40.7	0	0	0	108.9	G146 V147 A184 G185	G146-D163 CarbonylContact C-O 3.51Å; G146-D163 WeakPolarHBondContact CA-O 3.44Å; V147-D163 PolarHBondContact N-O 2.89Å; D163-A184 WeakPolarHBondContact OD1-CB 3.44Å; D163-G185 WeakPolarHBondContact CA-O 3.5Å; D163-G185 PolarHBondContact OD1-N 2.93Å
164	V	63.2	Low	66.6	Low	5 Å²	5	42.4 Å²	42.4	3%	0.03	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.2	-177	177.9	0	0	0	0	109.1	V147 N161 G162 I166 T187	V147-V164 HydrophobicContact CB-CG2 4.3Å; V147-V164 CarbonylContact O-C 3.57Å; V147-V164 WeakPolarHBondContact O-CA 3.24Å; N161-V164 WeakPolarHBondContact O-CG2 3.46Å; G162-V164 PolarHBondContact O-N 2.83Å; V164-I166 HydrophobicContact CG1-CD1 3.95Å; V164-I166 HydrophobicContact CG1-CG1 3.78Å; V164-T187 PolarHBondContact O-N 2.93Å
165	M	68.1	Low	66.1	Low	106 Å²	106	43.6 Å²	43.6	52%	0.522	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	112.1	166.7	-79.5	-169	-71.4	0	0	108.9	V147 T148 M149 T187	V147-M165 PolarHBondContact O-N 3.12Å; T148-M165 CarbonylContact C-O 3.58Å; T148-M165 VanDerWaalsContact CA-O 3.25Å; T148-M165 WeakPolarHBondContact CA-O 3.33Å; T148-M165 HydrophobicContact CG2-CB 4.44Å; M149-M165 PolarHBondContact N-O 2.95Å; M165-T187 WeakPolarHBondContact CA-O 3.3Å
166	I	70.9	Confident	65.3	Low	3 Å²	3	44.5 Å²	44.5	2%	0.015	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.7	169.2	-65.4	156.4	0	0	0	108.4	M149 L151 V157 P159 V164 M168 T187 S189	M149-I166 HydrophobicContact CB-CG1 3.99Å; M149-I166 HydrophobicContact CB-CG2 4.5Å; M149-I166 WeakPolarHBondContact O-CA 3.41Å; M149-I166 HydrophobicContact SD-CG1 4.19Å; L151-I166 HydrophobicContact CD1-CG2 4.07Å; V157-I166 HydrophobicContact CG1-CD1 3.93Å; V157-I166 HydrophobicContact CG1-CG2 4.4Å; P159-I166 HydrophobicContact CB-CD1 3.47Å; P159-I166 VanDerWaalsContact CB-CD1 3.47Å; P159-I166 HydrophobicContact CG-CD1 3.68Å; V164-I166 HydrophobicContact CG1-CD1 3.95Å; V164-I166 HydrophobicContact CG1-CG1 3.78Å; I166-M168 HydrophobicContact CG2-CE 3.64Å; I166-M168 HydrophobicContact CG2-CG 4.4Å; I166-T187 PolarHBondContact N-O 3.39Å; I166-S189 PolarHBondContact O-N 2.73Å
167	S	74.6	Confident	63.8	Low	61 Å²	61	47.1 Å²	47.1	43%	0.427	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.8	170.2	178.6	0	0	0	0	109.2	M149 S150 L151 S189	M149-S167 PolarHBondContact O-N 2.84Å; S150-S167 CarbonylContact C-O 3.58Å; S150-S167 WeakPolarHBondContact CA-O 3.35Å; L151-S167 PolarHBondContact N-O 2.96Å; S167-S189 CarbonylContact C-O 3.6Å; S167-S189 VanDerWaalsContact CA-O 3.3Å; S167-S189 WeakPolarHBondContact CA-O 3.45Å
168	M	75.1	Confident	62.5	Low	5 Å²	5	53.9 Å²	53.9	3%	0.025	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.1	179.7	-100.4	-178.2	-71.8	0	0	112.5	L151 C154 V157 I166 C171 I174 S189 V190 A191	L151-M168 HydrophobicContact CB-CG 3.53Å; L151-M168 HydrophobicContact CB-SD 4.44Å; L151-M168 HydrophobicContact CD1-CE 4.39Å; L151-M168 HydrophobicContact CD1-CG 3.84Å; L151-M168 HydrophobicContact CD1-SD 3.97Å; L151-M168 HydrophobicContact CG-CG 4.23Å; L151-M168 VanDerWaalsContact O-CA 3.3Å; L151-M168 WeakPolarHBondContact O-CA 3.31Å; C154-M168 HydrophobicContact CB-SD 4.25Å; V157-M168 HydrophobicContact CB-CE 3.56Å; V157-M168 HydrophobicContact CB-SD 4.22Å; V157-M168 HydrophobicContact CG1-CE 3.64Å; V157-M168 HydrophobicContact CG2-CE 3.33Å; V157-M168 HydrophobicContact CG2-SD 3.33Å; V157-M168 WeakPolarHBondContact CG2-SD 3.48Å; I166-M168 HydrophobicContact CG2-CE 3.64Å; I166-M168 HydrophobicContact CG2-CG 4.4Å; M168-C171 HydrophobicContact SD-CB 3.94Å; M168-I174 HydrophobicContact CE-CD1 4.22Å; M168-I174 HydrophobicContact CE-CG1 4.4Å; M168-S189 PolarHBondContact N-O 2.87Å; M168-V190 HydrophobicContact CB-CB 4.45Å; M168-V190 HydrophobicContact CB-CG1 4.4Å; M168-V190 HydrophobicContact CB-CG2 3.99Å; M168-V190 HydrophobicContact CE-CG2 3.98Å; M168-V190 CarbonylContact O-C 3.48Å; M168-V190 WeakPolarHBondContact O-CA 3.23Å; M168-A191 PolarHBondContact O-N 3.29Å
169	R	77.1	Confident	60.8	Low	153 Å²	153	61.7 Å²	61.7	58%	0.577	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	-47.6	165.9	-71.7	-167.3	-178.3	170.8	-10.9	112.6	L151 Q152 A191 T192	L151-R169 PolarHBondContact O-N 2.95Å; L151-R169 VanDerWaalsContact O-N 3.15Å; Q152-R169 WeakPolarHBondContact O-CB 3.22Å; Q152-R169 VanDerWaalsContact OE1-CZ 3.27Å; R169-A191 WeakPolarHBondContact O-CB 3.41Å; R169-T192 PolarHBondContact O-N 2.87Å; R169-T192 PolarHBondContact O-OG1 2.9Å
170	R	77	Confident	59.7	Low	136 Å²	136	66.8 Å²	66.8	51%	0.513	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	136.1	-178.1	-85.9	175.9	-173	-162.5	0.2	110.4	Q152 R153 C154 T192	Q152-R170 PolarHBondContact O-N 2.8Å; R153-R170 WeakPolarHBondContact CA-O 3.38Å; R153-R170 HydrophobicContact CG-CB 3.95Å; C154-R170 PolarHBondContact N-O 3.43Å; R170-T192 CarbonylContact C-O 3.56Å; R170-T192 WeakPolarHBondContact CA-O 3.42Å; R170-T192 WeakPolarHBondContact CG-OG1 3.49Å
171	C	73.4	Confident	58.8	Low	5 Å²	5	72.7 Å²	72.7	3%	0.034	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	162.3	162.8	46	0	0	0	0	112.1	C154 M168 I174 V190 T192 C193 E194	C154-C171 WeakPolarHBondContact O-CA 3.37Å; C154-C171 WeakPolarHBondContact O-CB 3.4Å; M168-C171 HydrophobicContact SD-CB 3.94Å; C171-I174 HydrophobicContact CB-CG1 4.47Å; C171-V190 VanDerWaalsContact SG-CG1 3.52Å; C171-T192 PolarHBondContact N-O 2.85Å; C171-C193 HydrophobicContact CB-CB 4.44Å; C171-C193 WeakPolarHBondContact CB-SG 3.25Å; C171-C193 CarbonylContact O-C 3.53Å; C171-C193 VanDerWaalsContact O-CA 3.23Å; C171-C193 WeakPolarHBondContact O-CA 3.12Å; C171-C193 WeakPolarHBondContact SG-CB 3.27Å; C171-C193 CovalentContact SG-SG 2.04Å; C171-C193 PolarHBondContact SG-SG 3.34Å; C171-E194 PolarHBondContact O-N 3.1Å
172	D	71.1	Confident	58.4	Low	85 Å²	85	76 Å²	76	46%	0.455	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-61.2	168.6	-58	-17.4	0	0	0	105.9	C154 G155 C193 E194 Y195	C154-D172 PolarHBondContact O-N 3.5Å; G155-D172 PolarHBondContact O-N 2.9Å; D172-C193 PolarHBondContact O-SG 3.48Å; D172-E194 CarbonylContact O-C 3.54Å; D172-E194 WeakPolarHBondContact O-CA 3.47Å; D172-E194 WeakPolarHBondContact O-CB 2.97Å; D172-E194 PolarHBondContact O-N 2.95Å; D172-Y195 PolarHBondContact O-N 2.99Å
173	D	66.1	Low	58.1	Low	63 Å²	63	76.8 Å²	76.8	34%	0.337	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	148.7	176.4	-58.4	-19	0	0	0	114	G155 D156 V157 Y195	G155-D173 PolarHBondContact O-N 2.85Å; D156-D173 WeakPolarHBondContact CA-O 3.28Å; D156-D173 WeakPolarHBondContact OD1-CB 2.77Å; V157-D173 PolarHBondContact N-O 2.9Å; D173-Y195 CarbonylContact C-O 3.6Å; D173-Y195 WeakPolarHBondContact CA-O 3.44Å; D173-Y195 HydrophobicContact CB-CD1 4.38Å; D173-Y195 VanDerWaalsContact OD1-CB 3.23Å; D173-Y195 WeakPolarHBondContact OD1-CB 3.36Å
174	I	64.3	Low	57.7	Low	5 Å²	5	75 Å²	75	3%	0.026	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	108	162	-64.2	172.5	0	0	0	108.3	M168 C171 V188 V190 Y195 V196 G197 M210	M168-I174 HydrophobicContact CE-CD1 4.22Å; M168-I174 HydrophobicContact CE-CG1 4.4Å; C171-I174 HydrophobicContact CB-CG1 4.47Å; I174-V188 HydrophobicContact CD1-CG1 4.31Å; I174-V190 HydrophobicContact CD1-CB 4.22Å; I174-V190 HydrophobicContact CD1-CG1 4.28Å; I174-V190 HydrophobicContact CD1-CG2 3.28Å; I174-Y195 PolarHBondContact N-O 2.95Å; I174-V196 HydrophobicContact CB-CG1 4.44Å; I174-V196 HydrophobicContact CB-CG2 4.36Å; I174-V196 HydrophobicContact CD1-CG2 4.1Å; I174-G197 PolarHBondContact O-N 3.08Å; I174-M210 HydrophobicContact CG2-CE 4.42Å
175	S	58.6	Low	57.6	Low	28 Å²	28	76 Å²	76	20%	0.196	36%	0.356	C	S	.	.			trans	-113.9	126.3	174.6	63.1	0	0	0	0	110.5	V157 A158 E177 G197	V157-S175 PolarHBondContact O-N 3.22Å; V157-S175 VanDerWaalsContact O-O 3.08Å; A158-S175 WeakPolarHBondContact CA-O 3.38Å; A158-S175 VanDerWaalsContact CB-O 3.24Å; A158-S175 WeakPolarHBondContact CB-O 3.29Å; S175-E177 PolarHBondContact O-N 3.29Å; S175-G197 WeakPolarHBondContact CA-O 3.35Å
176	A	51.8	Low	57.3	Low	29 Å²	29	71.9 Å²	71.9	24%	0.24	34%	0.337	C	S	.	.			trans	-102.4	62.5	177.1	0	0	0	0	0	109.6	K198 E199 M200	A176-K198 PolarHBondContact N-O 3.3Å; A176-E199 VanDerWaalsContact O-O 3.11Å; A176-M200 HydrophobicContact CB-CG 3.92Å
177	E	38	Very low	57.2	Low	113 Å²	113	74.2 Å²	74.2	53%	0.528	35%	0.352	S	S	.	.			trans	-75.4	128.5	173.3	-82.5	-166.6	157.5	0	0	111	Q160 S175	Q160-E177 PolarHBondContact NE2-O 2.98Å; S175-E177 PolarHBondContact O-N 3.29Å
178	K	37.6	Very low	57	Low	144 Å²	144	71.4 Å²	71.4	63%	0.626	33%	0.332	S	S	*	.			trans	113.8	119.2	140.1	-139.9	177.1	-173.3	177.8	0	120.2
179	W	30.5	Very low	57	Low	166 Å²	166	73.6 Å²	73.6	63%	0.629	35%	0.348	S	S	*	.			trans	47.4	128	137.3	-69.5	62.7	0	0	0	125.7
180	R	32.7	Very low	56.6	Low	135 Å²	135	66.5 Å²	66.5	51%	0.509	32%	0.321	S	S	.	.			trans	41.9	84.4	142.3	-66.6	-164.8	-178.9	-176.8	2.5	117.7	Y203	R180-Y203 HydrophobicContact CB-CD2 4.28Å; R180-Y203 HydrophobicContact CB-CE2 4.45Å; R180-Y203 HydrophobicContact CG-CD2 3.78Å; R180-Y203 HydrophobicContact CG-CE2 3.6Å
181	R	38.6	Very low	56.6	Low	164 Å²	164	61.4 Å²	61.4	62%	0.619	31%	0.309	S	S	*	.	S	Bend		163.5	165.2	124.5	-87.8	163.7	-177.8	178	3	110.2	N183	R181-N183 PolarHBondContact O-N 3.3Å
182	Q	43.3	Very low	56.8	Low	101 Å²	101	64.2 Å²	64.2	47%	0.472	33%	0.325	S	S	.	.			trans	-52.8	122.3	-166	-71	173.2	-37.2	0	0	114.8	R204	Q182-R204 WeakPolarHBondContact CA-O 3.46Å; Q182-R204 HydrophobicContact CG-CB 4.05Å
183	N	49.2	Very low	56.8	Low	31 Å²	31	60.4 Å²	60.4	17%	0.166	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-107.2	137	172.4	-62.1	-33	0	0	0	113.8	N161 G162 R181 R204 N205 R206	N161-N183 WeakPolarHBondContact CA-OD1 3.49Å; N161-N183 WeakPolarHBondContact CB-OD1 3.46Å; N161-N183 PolarHBondContact OD1-ND2 3.31Å; N161-N183 PolarHBondContact OD1-OD1 2.8Å; G162-N183 PolarHBondContact N-OD1 2.83Å; R181-N183 PolarHBondContact O-N 3.3Å; N183-R204 PolarHBondContact N-O 2.81Å; N183-N205 VanDerWaalsContact CB-OD1 3.29Å; N183-N205 WeakPolarHBondContact CB-OD1 3.1Å; N183-R206 PolarHBondContact O-N 2.89Å
184	A	51.5	Low	57.1	Low	38 Å²	38	62.8 Å²	62.8	31%	0.314	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-76.3	158.7	156.6	0	0	0	0	0	108.3	G162 D163	G162-A184 CarbonylContact C-O 3.59Å; D163-A184 WeakPolarHBondContact OD1-CB 3.44Å
185	G	60.1	Low	57.2	Low	25 Å²	25	64.9 Å²	64.9	26%	0.258	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-61.4	142	-155.6	0	0	0	0	0	114.7	D163 G207	D163-G185 WeakPolarHBondContact CA-O 3.5Å; D163-G185 PolarHBondContact OD1-N 2.93Å; G185-G207 VanDerWaalsContact CA-O 3.3Å; G185-G207 WeakPolarHBondContact CA-O 3.47Å
186	V	62.8	Low	57.5	Low	19 Å²	19	64 Å²	64	12%	0.115	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.3	176.8	179.4	0	0	0	0	109.1	P159 V188 G207 T209	P159-V186 HydrophobicContact CB-CG1 4.16Å; P159-V186 HydrophobicContact CG-CG1 4.26Å; V186-V188 HydrophobicContact CG1-CG2 4.01Å; V186-G207 PolarHBondContact N-O 3.06Å; V186-T209 PolarHBondContact O-N 3.43Å
187	T	68.4	Low	57.9	Low	52 Å²	52	62.9 Å²	62.9	32%	0.319	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.4	173.5	-54.3	0	0	0	0	110.1	V164 M165 I166 T209	V164-T187 PolarHBondContact O-N 2.93Å; M165-T187 WeakPolarHBondContact CA-O 3.3Å; I166-T187 PolarHBondContact N-O 3.39Å; T187-T209 CarbonylContact C-O 3.58Å; T187-T209 VanDerWaalsContact CA-O 3.26Å; T187-T209 WeakPolarHBondContact CA-O 3.11Å
188	V	69.4	Low	58.5	Low	3 Å²	3	63 Å²	63	2%	0.018	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.8	175.5	-178.6	0	0	0	0	108.6	P159 I174 V186 V190 T209 M210 S211	P159-V188 HydrophobicContact CG-CG2 4Å; I174-V188 HydrophobicContact CD1-CG1 4.31Å; V186-V188 HydrophobicContact CG1-CG2 4.01Å; V188-V190 HydrophobicContact CG1-CG2 3.71Å; V188-T209 PolarHBondContact N-O 3.34Å; V188-M210 HydrophobicContact CB-CE 4.5Å; V188-M210 HydrophobicContact CB-CG 4.2Å; V188-M210 CarbonylContact O-C 3.55Å; V188-M210 WeakPolarHBondContact O-CA 3.38Å; V188-S211 PolarHBondContact O-N 2.83Å
189	S	74.6	Confident	58.8	Low	50 Å²	50	59 Å²	59	35%	0.35	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.9	177.8	-68.6	0	0	0	0	109.6	I166 S167 M168 S211	I166-S189 PolarHBondContact O-N 2.73Å; S167-S189 CarbonylContact C-O 3.6Å; S167-S189 VanDerWaalsContact CA-O 3.3Å; S167-S189 WeakPolarHBondContact CA-O 3.45Å; M168-S189 PolarHBondContact N-O 2.87Å; S189-S211 CarbonylContact C-O 3.48Å; S189-S211 VanDerWaalsContact CA-O 3.3Å; S189-S211 WeakPolarHBondContact CA-O 3.31Å
190	V	70.5	Confident	59.3	Low	4 Å²	4	52.7 Å²	52.7	2%	0.024	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.4	-172.8	175.6	0	0	0	0	109	M168 C171 I174 V188 C193 S211 V212 Q213	M168-V190 HydrophobicContact CB-CB 4.45Å; M168-V190 HydrophobicContact CB-CG1 4.4Å; M168-V190 HydrophobicContact CB-CG2 3.99Å; M168-V190 HydrophobicContact CE-CG2 3.98Å; M168-V190 CarbonylContact O-C 3.48Å; M168-V190 WeakPolarHBondContact O-CA 3.23Å; C171-V190 VanDerWaalsContact SG-CG1 3.52Å; I174-V190 HydrophobicContact CD1-CB 4.22Å; I174-V190 HydrophobicContact CD1-CG1 4.28Å; I174-V190 HydrophobicContact CD1-CG2 3.28Å; V188-V190 HydrophobicContact CG1-CG2 3.71Å; V190-C193 HydrophobicContact CG1-CB 4.1Å; V190-S211 PolarHBondContact N-O 3.01Å; V190-V212 HydrophobicContact CB-CG1 4.2Å; V190-V212 HydrophobicContact CB-CG2 4.46Å; V190-V212 HydrophobicContact CG1-CG1 4.2Å; V190-V212 CarbonylContact O-C 3.55Å; V190-V212 VanDerWaalsContact O-CA 3.29Å; V190-V212 WeakPolarHBondContact O-CA 3.44Å; V190-Q213 PolarHBondContact O-N 2.99Å
191	A	76.6	Confident	59.4	Low	30 Å²	30	51.6 Å²	51.6	25%	0.248	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-50	176.4	0	0	0	0	0	111.8	M168 R169 Q213 G214	M168-A191 PolarHBondContact O-N 3.29Å; R169-A191 WeakPolarHBondContact O-CB 3.41Å; A191-Q213 CarbonylContact O-C 3.54Å; A191-Q213 WeakPolarHBondContact O-CA 3.37Å; A191-Q213 WeakPolarHBondContact O-CB 3.2Å; A191-G214 PolarHBondContact O-N 2.96Å
192	T	76.6	Confident	59.5	Low	63 Å²	63	48.4 Å²	48.4	39%	0.387	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	134.3	175.4	47.9	0	0	0	0	109.8	R169 R170 C171 G214	R169-T192 PolarHBondContact O-N 2.87Å; R169-T192 PolarHBondContact O-OG1 2.9Å; R170-T192 CarbonylContact C-O 3.56Å; R170-T192 WeakPolarHBondContact CA-O 3.42Å; R170-T192 WeakPolarHBondContact CG-OG1 3.49Å; C171-T192 PolarHBondContact N-O 2.85Å; T192-G214 CarbonylContact C-O 2.97Å; T192-G214 WeakPolarHBondContact CA-O 3.21Å
193	C	71.2	Confident	59.3	Low	6 Å²	6	48.3 Å²	48.3	4%	0.041	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	159	167.2	-138.5	0	0	0	0	109.3	C171 D172 V190 Y195 V196 G214 C215 D216	C171-C193 HydrophobicContact CB-CB 4.44Å; C171-C193 WeakPolarHBondContact CB-SG 3.25Å; C171-C193 CarbonylContact O-C 3.53Å; C171-C193 VanDerWaalsContact O-CA 3.23Å; C171-C193 WeakPolarHBondContact O-CA 3.12Å; C171-C193 WeakPolarHBondContact SG-CB 3.27Å; C171-C193 CovalentContact SG-SG 2.04Å; C171-C193 PolarHBondContact SG-SG 3.34Å; D172-C193 PolarHBondContact O-SG 3.48Å; V190-C193 HydrophobicContact CG1-CB 4.1Å; C193-Y195 PolarHBondContact SG-O 3.16Å; C193-V196 HydrophobicContact CB-CG2 3.81Å; C193-G214 PolarHBondContact N-O 2.74Å; C193-C215 VanDerWaalsContact O-CA 3.23Å; C193-C215 WeakPolarHBondContact O-CA 3.39Å; C193-D216 PolarHBondContact O-N 2.93Å
194	E	72.3	Confident	59.3	Low	113 Å²	113	53.7 Å²	53.7	53%	0.528	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-48.1	166.3	-63.4	-170.9	165.8	0	0	108.9	C171 D172 C215 D216 D217	C171-E194 PolarHBondContact O-N 3.1Å; D172-E194 CarbonylContact O-C 3.54Å; D172-E194 WeakPolarHBondContact O-CA 3.47Å; D172-E194 WeakPolarHBondContact O-CB 2.97Å; D172-E194 PolarHBondContact O-N 2.95Å; E194-C215 PolarHBondContact O-SG 3.39Å; E194-C215 VanDerWaalsContact O-SG 3.34Å; E194-D216 WeakPolarHBondContact O-CB 3.29Å; E194-D216 PolarHBondContact O-N 2.91Å; E194-D216 VanDerWaalsContact O-N 3.11Å; E194-D217 PolarHBondContact O-N 3.33Å
195	Y	66.1	Low	59.2	Low	48 Å²	48	53.7 Å²	53.7	19%	0.188	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.3	180	-177.7	-105.6	0	0	0	113.3	D172 D173 I174 C193 G197 D217 G219	D172-Y195 PolarHBondContact O-N 2.99Å; D173-Y195 CarbonylContact C-O 3.6Å; D173-Y195 WeakPolarHBondContact CA-O 3.44Å; D173-Y195 HydrophobicContact CB-CD1 4.38Å; D173-Y195 VanDerWaalsContact OD1-CB 3.23Å; D173-Y195 WeakPolarHBondContact OD1-CB 3.36Å; I174-Y195 PolarHBondContact N-O 2.95Å; C193-Y195 PolarHBondContact SG-O 3.16Å; Y195-G197 VanDerWaalsContact CE1-CA 3.4Å; Y195-D217 VanDerWaalsContact CA-O 3.3Å; Y195-D217 WeakPolarHBondContact CA-O 3.41Å; Y195-D217 HydrophobicContact CD2-CB 3.8Å; Y195-D217 HydrophobicContact CE2-CB 4.49Å; Y195-G219 PolarHBondContact OH-O 3.49Å
196	V	64.8	Low	59	Low	9 Å²	9	63.1 Å²	63.1	6%	0.055	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	106.8	170	177.1	0	0	0	0	108.7	I174 C193 M210 V212 D217 G219	I174-V196 HydrophobicContact CB-CG1 4.44Å; I174-V196 HydrophobicContact CB-CG2 4.36Å; I174-V196 HydrophobicContact CD1-CG2 4.1Å; C193-V196 HydrophobicContact CB-CG2 3.81Å; V196-M210 HydrophobicContact CG1-CE 4.47Å; V196-M210 HydrophobicContact CG1-SD 3.45Å; V196-M210 WeakPolarHBondContact CG1-SD 3.48Å; V196-V212 HydrophobicContact CG2-CG1 4.44Å; V196-V212 HydrophobicContact CG2-CG2 4.24Å; V196-D217 PolarHBondContact N-O 2.84Å; V196-G219 PolarHBondContact O-N 3.03Å
197	G	62.1	Low	58.8	Low	7 Å²	7	63 Å²	63	7%	0.072	30%	0.295	C	S	.	.			trans	176.2	168.9	-172.3	0	0	0	0	0	117	I174 S175 Y195 G219	I174-G197 PolarHBondContact O-N 3.08Å; S175-G197 WeakPolarHBondContact CA-O 3.35Å; Y195-G197 VanDerWaalsContact CE1-CA 3.4Å; G197-G219 WeakPolarHBondContact CA-O 3.36Å
198	K	49.2	Very low	58.5	Low	114 Å²	114	61.2 Å²	61.2	50%	0.496	28%	0.284	S	S	.	.			trans	90.6	117.1	178.6	-76.6	179.9	175.3	168.8	0	119.9	A176 D220	A176-K198 PolarHBondContact N-O 3.3Å; K198-D220 WeakPolarHBondContact CA-O 3.44Å; K198-D220 PolarHBondContact N-O 3.39Å
199	E	44.3	Very low	58.3	Low	60 Å²	60	64 Å²	64	28%	0.28	30%	0.301	S	S	.	.			trans	51.8	73	147.5	-69.1	-154	169.9	0	0	120.1	A176 W201 M222	A176-E199 VanDerWaalsContact O-O 3.11Å; E199-W201 PolarHBondContact O-N 2.87Å; E199-W201 PolarHBondContact OE2-NE1 2.85Å; E199-M222 HydrophobicContact CG-CB 4.11Å; E199-M222 HydrophobicContact CG-CE 3.36Å; E199-M222 HydrophobicContact CG-SD 3.78Å; E199-M222 WeakPolarHBondContact OE1-CE 3.41Å; E199-M222 VanDerWaalsContact OE1-SD 3.41Å
200	M	42.1	Very low	58	Low	35 Å²	35	62.6 Å²	62.6	17%	0.172	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-82.6	92.9	163.9	-80.3	-167.7	-93	0	0	112.1	A176 V221 M222 L223 S224	A176-M200 HydrophobicContact CB-CG 3.92Å; M200-V221 HydrophobicContact CE-CG1 3.68Å; M200-M222 CarbonylContact C-O 3.52Å; M200-M222 WeakPolarHBondContact CA-O 3.46Å; M200-M222 PolarHBondContact N-O 2.91Å; M200-M222 VanDerWaalsContact O-O 3.07Å; M200-L223 HydrophobicContact CE-CD2 3.23Å; M200-L223 HydrophobicContact SD-CD2 4.15Å; M200-S224 WeakPolarHBondContact O-CB 3.49Å; M200-S224 PolarHBondContact O-N 2.86Å
201	W	34.4	Very low	58.1	Low	112 Å²	112	64.5 Å²	64.5	42%	0.424	30%	0.303	S	S	.	.			trans	-93.5	112.4	174.7	-68.2	87.9	0	0	0	113.7	E199	E199-W201 PolarHBondContact O-N 2.87Å; E199-W201 PolarHBondContact OE2-NE1 2.85Å
202	E	39.7	Very low	57.8	Low	96 Å²	96	63.1 Å²	63.1	45%	0.449	29%	0.291	S	S	.	.			trans	64.3	129.1	147.9	-146.5	-176.5	-150.2	0	0	118.1	S224	E202-S224 PolarHBondContact N-O 3.11Å
203	Y	38.9	Very low	57.8	Low	100 Å²	100	64.9 Å²	64.9	39%	0.392	30%	0.295	S	S	.	.	S	Bend	trans	115.5	132.9	162.5	-77	-102.5	0	0	0	116.7	R180 N205	R180-Y203 HydrophobicContact CB-CD2 4.28Å; R180-Y203 HydrophobicContact CB-CE2 4.45Å; R180-Y203 HydrophobicContact CG-CD2 3.78Å; R180-Y203 HydrophobicContact CG-CE2 3.6Å; Y203-N205 PolarHBondContact O-N 2.94Å; Y203-N205 VanDerWaalsContact O-N 3.08Å; Y203-N205 PolarHBondContact O-OD1 2.84Å
204	R	48.9	Very low	57.8	Low	144 Å²	144	65.2 Å²	65.2	54%	0.543	30%	0.299	S	S	.	.			trans	-21.3	95.4	177.9	-73.5	176.8	171.7	158.1	-1.7	115.7	Q182 N183	Q182-R204 WeakPolarHBondContact CA-O 3.46Å; Q182-R204 HydrophobicContact CG-CB 4.05Å; N183-R204 PolarHBondContact N-O 2.81Å
205	N	51.3	Low	57.6	Low	37 Å²	37	60 Å²	60	20%	0.198	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-103.3	143.7	168	-67.4	-27.4	0	0	0	109.2	N183 Y203 R226 G227	N183-N205 VanDerWaalsContact CB-OD1 3.29Å; N183-N205 WeakPolarHBondContact CB-OD1 3.1Å; Y203-N205 PolarHBondContact O-N 2.94Å; Y203-N205 VanDerWaalsContact O-N 3.08Å; Y203-N205 PolarHBondContact O-OD1 2.84Å; N205-R226 CarbonylContact C-O 3.59Å; N205-R226 PolarHBondContact N-O 3.05Å; N205-R226 CarbonylContact O-C 3.59Å; N205-G227 WeakPolarHBondContact O-CA 3.31Å
206	R	54.6	Low	57.7	Low	224 Å²	224	61.7 Å²	61.7	85%	0.845	29%	0.288	S	S	*	.	S	Bend	trans	-81	-20.8	172.9	-100.7	-176.9	175.4	159.2	-2.9	113.2	N183	N183-R206 PolarHBondContact O-N 2.89Å
207	G	59.5	Low	57.7	Low	16 Å²	16	65 Å²	65	17%	0.165	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.2	153.9	169.5	0	0	0	0	0	112.2	G185 V186 D228	G185-G207 VanDerWaalsContact CA-O 3.3Å; G185-G207 WeakPolarHBondContact CA-O 3.47Å; V186-G207 PolarHBondContact N-O 3.06Å; G207-D228 CarbonylContact C-O 3.54Å; G207-D228 WeakPolarHBondContact CA-O 3.32Å
208	V	61.1	Low	57.8	Low	15 Å²	15	65 Å²	65	9%	0.091	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.8	174.5	178.7	0	0	0	0	107.7	D228 V229 M230	V208-D228 PolarHBondContact N-O 2.93Å; V208-V229 WeakPolarHBondContact O-CA 3.12Å; V208-M230 PolarHBondContact O-N 2.83Å
209	T	66.2	Low	58.1	Low	61 Å²	61	60.1 Å²	60.1	37%	0.374	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.6	173.7	-56.3	0	0	0	0	109.4	V186 T187 V188 M230	V186-T209 PolarHBondContact O-N 3.43Å; T187-T209 CarbonylContact C-O 3.58Å; T187-T209 VanDerWaalsContact CA-O 3.26Å; T187-T209 WeakPolarHBondContact CA-O 3.11Å; V188-T209 PolarHBondContact N-O 3.34Å; T209-M230 CarbonylContact C-O 3.54Å; T209-M230 VanDerWaalsContact CA-O 3.31Å; T209-M230 WeakPolarHBondContact CA-O 3.43Å; T209-M230 HydrophobicContact CG2-CB 4.47Å
210	M	67.6	Low	58.4	Low	21 Å²	21	59.5 Å²	59.5	10%	0.103	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.9	177	-165.3	174	-71.1	0	0	109.4	I174 V188 V196 V212 M230 M231 S232	I174-M210 HydrophobicContact CG2-CE 4.42Å; V188-M210 HydrophobicContact CB-CE 4.5Å; V188-M210 HydrophobicContact CB-CG 4.2Å; V188-M210 CarbonylContact O-C 3.55Å; V188-M210 WeakPolarHBondContact O-CA 3.38Å; V196-M210 HydrophobicContact CG1-CE 4.47Å; V196-M210 HydrophobicContact CG1-SD 3.45Å; V196-M210 WeakPolarHBondContact CG1-SD 3.48Å; M210-V212 HydrophobicContact CG-CG2 3.97Å; M210-V212 HydrophobicContact SD-CG2 4.31Å; M210-M230 PolarHBondContact N-O 2.92Å; M210-M231 HydrophobicContact CB-CG 4.17Å; M210-M231 CarbonylContact O-C 3.52Å; M210-M231 WeakPolarHBondContact O-CA 3.48Å; M210-S232 PolarHBondContact O-N 3.26Å
211	S	72.3	Confident	58.7	Low	44 Å²	44	58.9 Å²	58.9	31%	0.308	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	115.3	173.7	-170.6	0	0	0	0	110	V188 S189 V190 S232	V188-S211 PolarHBondContact O-N 2.83Å; S189-S211 CarbonylContact C-O 3.48Å; S189-S211 VanDerWaalsContact CA-O 3.3Å; S189-S211 WeakPolarHBondContact CA-O 3.31Å; V190-S211 PolarHBondContact N-O 3.01Å; S211-S232 CarbonylContact C-O 3.47Å; S211-S232 VanDerWaalsContact CA-O 3.28Å; S211-S232 WeakPolarHBondContact CA-O 3.43Å
212	V	70	Confident	59.1	Low	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.7	-179	-167.9	0	0	0	0	108.9	V190 V196 M210 G214 C215 S232 L233 K234	V190-V212 HydrophobicContact CB-CG1 4.2Å; V190-V212 HydrophobicContact CB-CG2 4.46Å; V190-V212 HydrophobicContact CG1-CG1 4.2Å; V190-V212 CarbonylContact O-C 3.55Å; V190-V212 VanDerWaalsContact O-CA 3.29Å; V190-V212 WeakPolarHBondContact O-CA 3.44Å; V196-V212 HydrophobicContact CG2-CG1 4.44Å; V196-V212 HydrophobicContact CG2-CG2 4.24Å; M210-V212 HydrophobicContact CG-CG2 3.97Å; M210-V212 HydrophobicContact SD-CG2 4.31Å; V212-G214 WeakPolarHBondContact CG1-O 3.28Å; V212-C215 HydrophobicContact CG1-CB 4.1Å; V212-S232 PolarHBondContact N-O 3.35Å; V212-L233 HydrophobicContact CB-CD2 3.63Å; V212-L233 HydrophobicContact CG2-CD2 3.76Å; V212-L233 CarbonylContact O-C 3.49Å; V212-L233 WeakPolarHBondContact O-CA 3.11Å; V212-K234 PolarHBondContact O-N 2.88Å
213	Q	76.3	Confident	59.5	Low	100 Å²	100	49.9 Å²	49.9	47%	0.467	25%	0.246	S	C	.	.	S	Bend	trans	-85.1	-27.3	-179	-50.7	-166.4	2.8	0	0	114.1	V190 A191 K234 R235	V190-Q213 PolarHBondContact O-N 2.99Å; A191-Q213 CarbonylContact O-C 3.54Å; A191-Q213 WeakPolarHBondContact O-CA 3.37Å; A191-Q213 WeakPolarHBondContact O-CB 3.2Å; Q213-K234 HydrophobicContact CB-CD 4.17Å; Q213-K234 HydrophobicContact CG-CD 4.21Å; Q213-K234 VanDerWaalsContact O-CB 3.3Å; Q213-K234 WeakPolarHBondContact O-CB 2.99Å; Q213-R235 PolarHBondContact O-N 2.87Å
214	G	71.4	Confident	59.8	Low	13 Å²	13	46.3 Å²	46.3	13%	0.134	24%	0.235	C	C	.	.			trans	-154.3	133.3	175.8	0	0	0	0	0	109	A191 T192 C193 V212 R235	A191-G214 PolarHBondContact O-N 2.96Å; T192-G214 CarbonylContact C-O 2.97Å; T192-G214 WeakPolarHBondContact CA-O 3.21Å; C193-G214 PolarHBondContact N-O 2.74Å; V212-G214 WeakPolarHBondContact CG1-O 3.28Å; G214-R235 CarbonylContact C-O 3.47Å; G214-R235 WeakPolarHBondContact CA-O 3.38Å
215	C	69.7	Low	59.9	Low	3 Å²	3	39.6 Å²	39.6	2%	0.02	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	148.9	170.1	-163.9	0	0	0	0	107.3	C193 E194 V212 D217 R235 C236 D237	C193-C215 VanDerWaalsContact O-CA 3.23Å; C193-C215 WeakPolarHBondContact O-CA 3.39Å; E194-C215 PolarHBondContact O-SG 3.39Å; E194-C215 VanDerWaalsContact O-SG 3.34Å; V212-C215 HydrophobicContact CG1-CB 4.1Å; C215-D217 PolarHBondContact SG-O 3.24Å; C215-R235 PolarHBondContact N-O 3.25Å; C215-C236 HydrophobicContact CB-CB 4.42Å; C215-C236 VanDerWaalsContact CB-SG 3.59Å; C215-C236 VanDerWaalsContact O-CA 3.27Å; C215-C236 WeakPolarHBondContact O-CA 3.3Å; C215-D237 PolarHBondContact O-N 2.84Å
216	D	67.9	Low	60	Low	84 Å²	84	43.1 Å²	43.1	45%	0.449	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-52	172.3	-61.1	-21.8	0	0	0	107.2	C193 E194 D237 D238	C193-D216 PolarHBondContact O-N 2.93Å; E194-D216 WeakPolarHBondContact O-CB 3.29Å; E194-D216 PolarHBondContact O-N 2.91Å; E194-D216 VanDerWaalsContact O-N 3.11Å; D216-D237 WeakPolarHBondContact O-CA 3.3Å; D216-D237 WeakPolarHBondContact O-CB 3.22Å; D216-D237 PolarHBondContact O-N 2.89Å; D216-D238 PolarHBondContact O-N 2.81Å
217	D	64.8	Low	60.1	Low	78 Å²	78	33.1 Å²	33.1	42%	0.417	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.4	-180	-74.2	-32.4	0	0	0	113.9	E194 Y195 V196 C215	E194-D217 PolarHBondContact O-N 3.33Å; Y195-D217 VanDerWaalsContact CA-O 3.3Å; Y195-D217 WeakPolarHBondContact CA-O 3.41Å; Y195-D217 HydrophobicContact CD2-CB 3.8Å; Y195-D217 HydrophobicContact CE2-CB 4.49Å; V196-D217 PolarHBondContact N-O 2.84Å; C215-D217 PolarHBondContact SG-O 3.24Å
218	C	62.6	Low	60.1	Low	9 Å²	9	36.4 Å²	36.4	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	79.8	173.4	-59	0	0	0	0	109.7	L233 C236 D238 T239 T240	C218-L233 HydrophobicContact CB-CD1 4.12Å; C218-C236 HydrophobicContact CB-CB 4.28Å; C218-C236 WeakPolarHBondContact CB-SG 3.29Å; C218-C236 PolarHBondContact N-SG 2.78Å; C218-C236 WeakPolarHBondContact SG-CB 3.26Å; C218-C236 CovalentContact SG-SG 2.05Å; C218-C236 PolarHBondContact SG-SG 2.92Å; C218-D238 PolarHBondContact N-O 3.42Å; C218-T239 HydrophobicContact CB-CG2 3.99Å; C218-T239 CarbonylContact O-C 3.58Å; C218-T239 VanDerWaalsContact O-CA 3.28Å; C218-T239 WeakPolarHBondContact O-CA 3.46Å; C218-T240 PolarHBondContact O-N 3.48Å
219	G	56.8	Low	60.1	Low	11 Å²	11	35.9 Å²	35.9	11%	0.113	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	151.8	-170.1	0	0	0	0	0	115.5	Y195 V196 G197 V221 T240	Y195-G219 PolarHBondContact OH-O 3.49Å; V196-G219 PolarHBondContact O-N 3.03Å; G197-G219 WeakPolarHBondContact CA-O 3.36Å; G219-V221 PolarHBondContact O-N 2.81Å; G219-T240 CarbonylContact C-O 3.48Å
220	D	50.3	Low	60.2	Low	47 Å²	47	37.5 Å²	37.5	25%	0.251	20%	0.202	S	C	.	.			trans	52.4	53.9	171.7	-69	-5.9	0	0	0	116.1	K198 M222 T240 E242	K198-D220 WeakPolarHBondContact CA-O 3.44Å; K198-D220 PolarHBondContact N-O 3.39Å; D220-M222 PolarHBondContact O-N 2.82Å; D220-T240 PolarHBondContact N-O 2.94Å; D220-T240 VanDerWaalsContact N-O 3.1Å; D220-E242 WeakPolarHBondContact OD1-CG 3.43Å
221	V	48.6	Very low	60.1	Low	22 Å²	22	37.2 Å²	37.2	13%	0.133	20%	0.201	C	C	.	.			trans	-73.9	76.9	163.7	-159.9	0	0	0	0	109.5	M200 G219 L223 M231 E242	M200-V221 HydrophobicContact CE-CG1 3.68Å; G219-V221 PolarHBondContact O-N 2.81Å; V221-L223 VanDerWaalsContact C-N 3.29Å; V221-L223 HydrophobicContact CB-CG 4.34Å; V221-L223 HydrophobicContact CG1-CD1 4.1Å; V221-L223 HydrophobicContact CG1-CD2 3.56Å; V221-L223 HydrophobicContact CG1-CG 3.59Å; V221-L223 WeakPolarHBondContact O-CG 2.93Å; V221-L223 PolarHBondContact O-N 3.21Å; V221-M231 HydrophobicContact CB-CE 4.17Å; V221-M231 HydrophobicContact CG1-CE 3.74Å; V221-M231 HydrophobicContact CG2-CE 4.02Å; V221-M231 HydrophobicContact CG2-SD 4.14Å; V221-E242 CarbonylContact C-O 3.37Å; V221-E242 VanDerWaalsContact C-O 3.31Å
222	M	41.9	Very low	60	Low	15 Å²	15	37.1 Å²	37.1	7%	0.074	20%	0.201	C	C	.	.			trans	-64.7	89	171.2	-96.9	-176	-91.8	0	0	109.7	E199 M200 D220 S224 E242 K244	E199-M222 HydrophobicContact CG-CB 4.11Å; E199-M222 HydrophobicContact CG-CE 3.36Å; E199-M222 HydrophobicContact CG-SD 3.78Å; E199-M222 WeakPolarHBondContact OE1-CE 3.41Å; E199-M222 VanDerWaalsContact OE1-SD 3.41Å; M200-M222 CarbonylContact C-O 3.52Å; M200-M222 WeakPolarHBondContact CA-O 3.46Å; M200-M222 PolarHBondContact N-O 2.91Å; M200-M222 VanDerWaalsContact O-O 3.07Å; D220-M222 PolarHBondContact O-N 2.82Å; M222-S224 PolarHBondContact O-N 3.04Å; M222-E242 WeakPolarHBondContact CA-O 3.47Å; M222-K244 HydrophobicContact CG-CD 4.03Å; M222-K244 HydrophobicContact CG-CG 4.28Å; M222-K244 HydrophobicContact SD-CD 3.66Å; M222-K244 PolarHBondContact SD-NZ 2.88Å
223	L	48.3	Very low	59.8	Low	4 Å²	4	37.5 Å²	37.5	2%	0.021	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-87.6	107.7	-178.8	-67.2	168.5	0	0	0	110.2	M200 V221 V225 V229 M231 M243 V251	M200-L223 HydrophobicContact CE-CD2 3.23Å; M200-L223 HydrophobicContact SD-CD2 4.15Å; V221-L223 VanDerWaalsContact C-N 3.29Å; V221-L223 HydrophobicContact CB-CG 4.34Å; V221-L223 HydrophobicContact CG1-CD1 4.1Å; V221-L223 HydrophobicContact CG1-CD2 3.56Å; V221-L223 HydrophobicContact CG1-CG 3.59Å; V221-L223 WeakPolarHBondContact O-CG 2.93Å; V221-L223 PolarHBondContact O-N 3.21Å; L223-V225 HydrophobicContact CB-CG2 3.94Å; L223-V225 HydrophobicContact CD2-CG2 3.52Å; L223-V225 HydrophobicContact CG-CG2 4.33Å; L223-V229 HydrophobicContact CD2-CG1 4.44Å; L223-V229 HydrophobicContact CD2-CG2 4.15Å; L223-M231 HydrophobicContact CD1-CE 4.28Å; L223-M243 HydrophobicContact CB-CG 4.25Å; L223-M243 HydrophobicContact CD1-CG 4.11Å; L223-M243 HydrophobicContact CD1-SD 4.3Å; L223-V251 HydrophobicContact CD1-CG1 4.1Å; L223-V251 HydrophobicContact CD1-CG2 4Å
224	S	46.6	Very low	59.4	Low	25 Å²	25	36.7 Å²	36.7	18%	0.175	20%	0.198	C	C	.	.			trans	-102.9	72.6	156.1	-174.7	0	0	0	0	110.2	M200 E202 M222 R245	M200-S224 WeakPolarHBondContact O-CB 3.49Å; M200-S224 PolarHBondContact O-N 2.86Å; E202-S224 PolarHBondContact N-O 3.11Å; M222-S224 PolarHBondContact O-N 3.04Å; S224-R245 VanDerWaalsContact CA-O 3.22Å; S224-R245 WeakPolarHBondContact CA-O 3.25Å
225	V	49.8	Very low	59.3	Low	3 Å²	3	43.3 Å²	43.3	2%	0.018	22%	0.218	C	C	.	.			trans	-108.3	134.2	-169.6	-174.6	0	0	0	0	112	L223 G227 V229 F246 Q247	L223-V225 HydrophobicContact CB-CG2 3.94Å; L223-V225 HydrophobicContact CD2-CG2 3.52Å; L223-V225 HydrophobicContact CG-CG2 4.33Å; V225-G227 WeakPolarHBondContact CG1-O 3.45Å; V225-V229 HydrophobicContact CB-CG2 4.32Å; V225-V229 HydrophobicContact CG1-CG2 3.9Å; V225-V229 HydrophobicContact CG2-CG2 4.1Å; V225-F246 HydrophobicContact CB-CE2 4.12Å; V225-Q247 PolarHBondContact O-N 3.1Å
226	R	52.8	Low	59	Low	110 Å²	110	43.2 Å²	43.2	42%	0.415	22%	0.218	S	C	.	.	S	Bend	trans	-103.3	112.2	153.1	-112.1	-175.9	168.6	161.9	-2.1	105.5	N205 Q247	N205-R226 CarbonylContact C-O 3.59Å; N205-R226 PolarHBondContact N-O 3.05Å; N205-R226 CarbonylContact O-C 3.59Å; R226-Q247 WeakPolarHBondContact CA-O 3.43Å; R226-Q247 HydrophobicContact CG-CB 4.2Å; R226-Q247 WeakPolarHBondContact CG-O 3.33Å
227	G	56.8	Low	58.9	Low	14 Å²	14	43.8 Å²	43.8	14%	0.144	22%	0.221	C	C	.	.	S	Bend	trans	127.5	171.5	-174.6	0	0	0	0	0	114.2	N205 V225 N248	N205-G227 WeakPolarHBondContact O-CA 3.31Å; V225-G227 WeakPolarHBondContact CG1-O 3.45Å; G227-N248 PolarHBondContact N-O 3.28Å
228	D	60.1	Low	58.8	Low	86 Å²	86	43.4 Å²	43.4	46%	0.46	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	138.3	-178	-56.9	-33.6	0	0	0	111.6	G207 V208 G249 D250	G207-D228 CarbonylContact C-O 3.54Å; G207-D228 WeakPolarHBondContact CA-O 3.32Å; V208-D228 PolarHBondContact N-O 2.93Å; D228-G249 WeakPolarHBondContact OD1-CA 3.38Å; D228-D250 CarbonylContact C-O 3.53Å; D228-D250 WeakPolarHBondContact CA-O 3.28Å; D228-D250 PolarHBondContact OD1-N 2.85Å
229	V	62.2	Low	58.7	Low	3 Å²	3	43.3 Å²	43.3	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.7	177.1	-178.4	0	0	0	0	108.7	V208 L223 V225 M231 D250 V251 M252	V208-V229 WeakPolarHBondContact O-CA 3.12Å; L223-V229 HydrophobicContact CD2-CG1 4.44Å; L223-V229 HydrophobicContact CD2-CG2 4.15Å; V225-V229 HydrophobicContact CB-CG2 4.32Å; V225-V229 HydrophobicContact CG1-CG2 3.9Å; V225-V229 HydrophobicContact CG2-CG2 4.1Å; V229-M231 HydrophobicContact CG1-CE 3.7Å; V229-M231 HydrophobicContact CG1-CG 4.23Å; V229-D250 PolarHBondContact N-O 2.74Å; V229-V251 HydrophobicContact CB-CG1 4.47Å; V229-V251 HydrophobicContact CB-CG2 4.35Å; V229-V251 WeakPolarHBondContact O-CA 3.48Å; V229-M252 PolarHBondContact O-N 2.82Å
230	M	66.3	Low	58.8	Low	95 Å²	95	44.8 Å²	44.8	47%	0.468	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117.7	174.5	-170.8	177.5	-65.6	0	0	109.4	V208 T209 M210 M252	V208-M230 PolarHBondContact O-N 2.83Å; T209-M230 CarbonylContact C-O 3.54Å; T209-M230 VanDerWaalsContact CA-O 3.31Å; T209-M230 WeakPolarHBondContact CA-O 3.43Å; T209-M230 HydrophobicContact CG2-CB 4.47Å; M210-M230 PolarHBondContact N-O 2.92Å; M230-M252 WeakPolarHBondContact CA-O 3.41Å; M230-M252 HydrophobicContact CE-SD 4.44Å
231	M	67	Low	59.1	Low	15 Å²	15	42.9 Å²	42.9	7%	0.074	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.2	172.7	-67.7	-174.3	-114.7	0	0	109.3	M210 V221 L223 V229 M252 I253 S254	M210-M231 HydrophobicContact CB-CG 4.17Å; M210-M231 CarbonylContact O-C 3.52Å; M210-M231 WeakPolarHBondContact O-CA 3.48Å; V221-M231 HydrophobicContact CB-CE 4.17Å; V221-M231 HydrophobicContact CG1-CE 3.74Å; V221-M231 HydrophobicContact CG2-CE 4.02Å; V221-M231 HydrophobicContact CG2-SD 4.14Å; L223-M231 HydrophobicContact CD1-CE 4.28Å; V229-M231 HydrophobicContact CG1-CE 3.7Å; V229-M231 HydrophobicContact CG1-CG 4.23Å; M231-M252 PolarHBondContact N-O 2.82Å; M231-I253 HydrophobicContact CB-CG1 4.45Å; M231-I253 HydrophobicContact CE-CG1 4.44Å; M231-I253 WeakPolarHBondContact O-CA 3.27Å; M231-S254 PolarHBondContact O-N 2.86Å
232	S	68.7	Low	59.3	Low	43 Å²	43	43.5 Å²	43.5	30%	0.301	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	108.6	174.4	-170.8	0	0	0	0	110.2	M210 S211 V212 S254	M210-S232 PolarHBondContact O-N 3.26Å; S211-S232 CarbonylContact C-O 3.47Å; S211-S232 VanDerWaalsContact CA-O 3.28Å; S211-S232 WeakPolarHBondContact CA-O 3.43Å; V212-S232 PolarHBondContact N-O 3.35Å; S232-S254 CarbonylContact C-O 3.39Å; S232-S254 WeakPolarHBondContact CA-O 3.43Å
233	L	66	Low	59.7	Low	8 Å²	8	43.2 Å²	43.2	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.2	-177.9	-61.2	168.1	0	0	0	108.6	V212 C218 C236 T239 S254 M255 R256	V212-L233 HydrophobicContact CB-CD2 3.63Å; V212-L233 HydrophobicContact CG2-CD2 3.76Å; V212-L233 CarbonylContact O-C 3.49Å; V212-L233 WeakPolarHBondContact O-CA 3.11Å; C218-L233 HydrophobicContact CB-CD1 4.12Å; L233-C236 HydrophobicContact CD1-CB 4.39Å; L233-T239 HydrophobicContact CD1-CG2 4.41Å; L233-S254 PolarHBondContact N-O 2.89Å; L233-M255 HydrophobicContact CB-CG 3.82Å; L233-M255 HydrophobicContact CD1-CG 3.78Å; L233-M255 HydrophobicContact CD1-SD 4.31Å; L233-M255 HydrophobicContact CG-CG 4.37Å; L233-M255 CarbonylContact O-C 3.55Å; L233-M255 WeakPolarHBondContact O-CA 3.13Å; L233-R256 PolarHBondContact O-N 3.4Å
234	K	69.1	Low	59.8	Low	83 Å²	83	46.9 Å²	46.9	36%	0.361	23%	0.232	S	C	.	.	S	Bend	trans	-83	-37.8	176.4	-76.5	-178	-178.6	170	0	113	V212 Q213 R256 R257	V212-K234 PolarHBondContact O-N 2.88Å; Q213-K234 HydrophobicContact CB-CD 4.17Å; Q213-K234 HydrophobicContact CG-CD 4.21Å; Q213-K234 VanDerWaalsContact O-CB 3.3Å; Q213-K234 WeakPolarHBondContact O-CB 2.99Å; K234-R256 WeakPolarHBondContact O-CB 3.49Å; K234-R257 PolarHBondContact O-N 3.3Å
235	R	68.5	Low	59.7	Low	151 Å²	151	52.2 Å²	52.2	57%	0.57	25%	0.248	S	C	*	.			trans	-144.3	124.5	177.2	-64.5	-177.3	-178.8	-177	-1.1	107.2	Q213 G214 C215 R257	Q213-R235 PolarHBondContact O-N 2.87Å; G214-R235 CarbonylContact C-O 3.47Å; G214-R235 WeakPolarHBondContact CA-O 3.38Å; C215-R235 PolarHBondContact N-O 3.25Å; R235-R257 WeakPolarHBondContact CA-O 3.43Å; R235-R257 HydrophobicContact CG-CB 4.4Å
236	C	64.4	Low	59.6	Low	2 Å²	2	53.1 Å²	53.1	1%	0.014	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	113.5	172.4	-158.7	0	0	0	0	108.5	C215 C218 L233 D238 R258 G259	C215-C236 HydrophobicContact CB-CB 4.42Å; C215-C236 VanDerWaalsContact CB-SG 3.59Å; C215-C236 VanDerWaalsContact O-CA 3.27Å; C215-C236 WeakPolarHBondContact O-CA 3.3Å; C218-C236 HydrophobicContact CB-CB 4.28Å; C218-C236 WeakPolarHBondContact CB-SG 3.29Å; C218-C236 PolarHBondContact N-SG 2.78Å; C218-C236 WeakPolarHBondContact SG-CB 3.26Å; C218-C236 CovalentContact SG-SG 2.05Å; C218-C236 PolarHBondContact SG-SG 2.92Å; L233-C236 HydrophobicContact CD1-CB 4.39Å; C236-D238 VanDerWaalsContact C-N 3.27Å; C236-D238 PolarHBondContact O-N 3.44Å; C236-D238 PolarHBondContact SG-O 2.85Å; C236-R258 CarbonylContact C-O 3.55Å; C236-R258 CarbonylContact O-C 3.57Å; C236-R258 VanDerWaalsContact O-C 3.23Å; C236-G259 VanDerWaalsContact O-CA 3.32Å; C236-G259 WeakPolarHBondContact O-CA 3.3Å; C236-G259 PolarHBondContact O-N 2.8Å
237	D	65.8	Low	59.4	Low	96 Å²	96	52.4 Å²	52.4	51%	0.513	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	-28	-169.5	-75.1	-16.3	0	0	0	112.2	C215 D216 R258 G259	C215-D237 PolarHBondContact O-N 2.84Å; D216-D237 WeakPolarHBondContact O-CA 3.3Å; D216-D237 WeakPolarHBondContact O-CB 3.22Å; D216-D237 PolarHBondContact O-N 2.89Å; D237-R258 WeakPolarHBondContact CA-O 3.49Å; D237-G259 VanDerWaalsContact C-CA 3.46Å; D237-G259 WeakPolarHBondContact O-CA 3.18Å
238	D	61.4	Low	59.1	Low	69 Å²	69	55.9 Å²	55.9	37%	0.369	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.3	165.4	-78.9	-37.9	0	0	0	111.7	D216 C218 C236 D260	D216-D238 PolarHBondContact O-N 2.81Å; C218-D238 PolarHBondContact N-O 3.42Å; C236-D238 VanDerWaalsContact C-N 3.27Å; C236-D238 PolarHBondContact O-N 3.44Å; C236-D238 PolarHBondContact SG-O 2.85Å; D238-D260 WeakPolarHBondContact OD1-CB 3.28Å; D238-D260 PolarHBondContact OD1-N 3Å
239	T	61.8	Low	58.9	Low	8 Å²	8	52.6 Å²	52.6	5%	0.049	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	114.4	176.7	-58.4	0	0	0	0	112.5	C218 L233 M255 D260 A261 T262	C218-T239 HydrophobicContact CB-CG2 3.99Å; C218-T239 CarbonylContact O-C 3.58Å; C218-T239 VanDerWaalsContact O-CA 3.28Å; C218-T239 WeakPolarHBondContact O-CA 3.46Å; L233-T239 HydrophobicContact CD1-CG2 4.41Å; T239-M255 HydrophobicContact CG2-CE 3.58Å; T239-M255 HydrophobicContact CG2-SD 3.9Å; T239-M255 PolarHBondContact OG1-SD 3.37Å; T239-D260 PolarHBondContact N-O 2.82Å; T239-A261 WeakPolarHBondContact O-CA 3.3Å; T239-T262 PolarHBondContact O-N 2.8Å
240	T	59.3	Low	58.7	Low	41 Å²	41	56.2 Å²	56.2	25%	0.252	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	113.4	174.4	-56.8	0	0	0	0	110	C218 G219 D220 E242 T262	C218-T240 PolarHBondContact O-N 3.48Å; G219-T240 CarbonylContact C-O 3.48Å; D220-T240 PolarHBondContact N-O 2.94Å; D220-T240 VanDerWaalsContact N-O 3.1Å; T240-E242 HydrophobicContact CG2-CG 4.08Å; T240-T262 CarbonylContact C-O 3.5Å; T240-T262 WeakPolarHBondContact CA-O 3.4Å; T240-T262 HydrophobicContact CG2-CG2 4.48Å
241	A	56.7	Low	58.4	Low	8 Å²	8	51.8 Å²	51.8	7%	0.066	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	94.3	175.8	0	0	0	0	0	110.2	I253 T262 E264	A241-I253 HydrophobicContact CB-CD1 3.91Å; A241-T262 PolarHBondContact N-O 2.95Å; A241-E264 PolarHBondContact O-N 2.83Å
242	E	50.9	Low	58.2	Low	35 Å²	35	54.9 Å²	54.9	16%	0.164	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	111.4	172.4	-67.4	-157.6	169	0	0	112.6	D220 V221 M222 T240 K244 E264	D220-E242 WeakPolarHBondContact OD1-CG 3.43Å; V221-E242 CarbonylContact C-O 3.37Å; V221-E242 VanDerWaalsContact C-O 3.31Å; M222-E242 WeakPolarHBondContact CA-O 3.47Å; T240-E242 HydrophobicContact CG2-CG 4.08Å; E242-K244 IonicContact OE2-NZ 3.9Å; E242-E264 CarbonylContact C-O 3.49Å; E242-E264 WeakPolarHBondContact CA-O 3.37Å; E242-E264 HydrophobicContact CG-CB 4.12Å; E242-E264 HydrophobicContact CG-CG 4.43Å
243	M	51.9	Low	58.1	Low	9 Å²	9	53.1 Å²	53.1	4%	0.044	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	110.7	178	-80.2	178.1	-80.4	0	0	112.1	L223 V251 E264 M265 W266 V273	L223-M243 HydrophobicContact CB-CG 4.25Å; L223-M243 HydrophobicContact CD1-CG 4.11Å; L223-M243 HydrophobicContact CD1-SD 4.3Å; M243-V251 HydrophobicContact SD-CG2 4.2Å; M243-E264 PolarHBondContact N-O 2.79Å; M243-M265 HydrophobicContact CB-CG 4.18Å; M243-M265 HydrophobicContact CE-CE 4.47Å; M243-M265 CarbonylContact O-C 3.51Å; M243-M265 WeakPolarHBondContact O-CA 3.24Å; M243-W266 PolarHBondContact O-N 3.2Å; M243-V273 HydrophobicContact CE-CB 4.37Å; M243-V273 HydrophobicContact CE-CG1 3.83Å; M243-V273 HydrophobicContact CE-CG2 3.63Å; M243-V273 HydrophobicContact SD-CG2 3.87Å
244	K	49.2	Very low	58	Low	80 Å²	80	54.8 Å²	54.8	35%	0.348	27%	0.267	S	S	.	.			trans	-94.5	-19.6	-176.8	-77.9	-176.1	-171.6	153.7	0	118	M222 E242 W266	M222-K244 HydrophobicContact CG-CD 4.03Å; M222-K244 HydrophobicContact CG-CG 4.28Å; M222-K244 HydrophobicContact SD-CD 3.66Å; M222-K244 PolarHBondContact SD-NZ 2.88Å; E242-K244 IonicContact OE2-NZ 3.9Å; K244-W266 CarbonylContact C-O 3.54Å; K244-W266 WeakPolarHBondContact CA-O 3.24Å; K244-W266 HydrophobicContact CB-CB 4.5Å; K244-W266 HydrophobicContact CG-CB 4.06Å; K244-W266 HydrophobicContact CG-CG 4.32Å
245	R	44.1	Very low	57.8	Low	137 Å²	137	51.3 Å²	51.3	52%	0.517	25%	0.252	S	S	.	.			trans	-165.9	86.9	-175.1	-112.2	172.5	-172.6	-169.6	3.3	112.9	S224	S224-R245 VanDerWaalsContact CA-O 3.22Å; S224-R245 WeakPolarHBondContact CA-O 3.25Å
246	F	47.7	Very low	57.5	Low	23 Å²	23	51.8 Å²	51.8	10%	0.101	25%	0.254	C	S	.	.			trans	-90.6	139.6	178.5	-161.4	-103.6	0	0	0	112.7	V225 N248 G249 V251 R268 Q269 Y270	V225-F246 HydrophobicContact CB-CE2 4.12Å; F246-N248 VanDerWaalsContact CE1-C 3.47Å; F246-G249 WeakPolarHBondContact CE1-O 3.35Å; F246-G249 VanDerWaalsContact CZ-N 3.29Å; F246-G249 WeakPolarHBondContact CZ-O 3.03Å; F246-V251 HydrophobicContact CE2-CG2 4.05Å; F246-R268 CarbonylContact O-C 3.52Å; F246-Q269 CarbonylContact C-O 3.56Å; F246-Q269 VanDerWaalsContact CD1-O 3.25Å; F246-Q269 WeakPolarHBondContact CD1-O 3.47Å; F246-Q269 WeakPolarHBondContact O-CA 3.34Å; F246-Q269 VanDerWaalsContact O-CB 3.24Å; F246-Q269 WeakPolarHBondContact O-CB 3.3Å; F246-Q269 PolarHBondContact O-N 3.26Å; F246-Y270 VanDerWaalsContact CE1-O 3.29Å; F246-Y270 WeakPolarHBondContact CE1-O 3.24Å
247	Q	49	Very low	57.2	Low	95 Å²	95	58.1 Å²	58.1	44%	0.444	28%	0.277	S	S	.	.			trans	-137	95	169.1	-73.4	-167.9	2.3	0	0	110.6	V225 R226 Q269	V225-Q247 PolarHBondContact O-N 3.1Å; R226-Q247 WeakPolarHBondContact CA-O 3.43Å; R226-Q247 HydrophobicContact CG-CB 4.2Å; R226-Q247 WeakPolarHBondContact CG-O 3.33Å; Q247-Q269 HydrophobicContact CG-CB 4.42Å
248	N	50.4	Low	56.7	Low	87 Å²	87	63 Å²	63	47%	0.465	29%	0.289	S	S	.	.	S	Bend	trans	62.9	109	173.6	-68.1	-1.7	0	0	0	116.4	G227 F246 Y270	G227-N248 PolarHBondContact N-O 3.28Å; F246-N248 VanDerWaalsContact CE1-C 3.47Å; N248-Y270 WeakPolarHBondContact CA-O 3.49Å; N248-Y270 PolarHBondContact N-O 3.03Å; N248-Y270 VanDerWaalsContact OD1-CB 3.23Å; N248-Y270 WeakPolarHBondContact OD1-CB 3.14Å
249	G	55.6	Low	56.5	Low	17 Å²	17	60.2 Å²	60.2	18%	0.175	28%	0.276	C	S	.	.	S	Bend	trans	149.9	177.8	174.8	0	0	0	0	0	111.2	D228 F246 G271	D228-G249 WeakPolarHBondContact OD1-CA 3.38Å; F246-G249 WeakPolarHBondContact CE1-O 3.35Å; F246-G249 VanDerWaalsContact CZ-N 3.29Å; F246-G249 WeakPolarHBondContact CZ-O 3.03Å; G249-G271 WeakPolarHBondContact O-CA 3.4Å
250	D	59.1	Low	56.4	Low	79 Å²	79	63 Å²	63	42%	0.422	29%	0.291	S	S	.	.			trans	-116.5	144.6	175.8	-63.3	-39.6	0	0	0	111.4	D228 V229 D272	D228-D250 CarbonylContact C-O 3.53Å; D228-D250 WeakPolarHBondContact CA-O 3.28Å; D228-D250 PolarHBondContact OD1-N 2.85Å; V229-D250 PolarHBondContact N-O 2.74Å; D250-D272 PolarHBondContact OD1-N 2.79Å
251	V	59.2	Low	56.5	Low	2 Å²	2	61.3 Å²	61.3	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	116.6	175.2	-179.1	0	0	0	0	108.3	L223 V229 M243 F246 I253 D272 V273 I274	L223-V251 HydrophobicContact CD1-CG1 4.1Å; L223-V251 HydrophobicContact CD1-CG2 4Å; V229-V251 HydrophobicContact CB-CG1 4.47Å; V229-V251 HydrophobicContact CB-CG2 4.35Å; V229-V251 WeakPolarHBondContact O-CA 3.48Å; M243-V251 HydrophobicContact SD-CG2 4.2Å; F246-V251 HydrophobicContact CE2-CG2 4.05Å; V251-I253 HydrophobicContact CG1-CD1 4.28Å; V251-I253 HydrophobicContact CG1-CG1 4.05Å; V251-D272 PolarHBondContact N-O 3.38Å; V251-V273 HydrophobicContact CB-CG2 4.48Å; V251-V273 WeakPolarHBondContact O-CA 3.32Å; V251-I274 PolarHBondContact O-N 2.92Å
252	M	63.7	Low	56.7	Low	79 Å²	79	62.7 Å²	62.7	39%	0.389	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115.4	174.8	-170	177	-69.4	0	0	109.8	V229 M230 M231 I274	V229-M252 PolarHBondContact O-N 2.82Å; M230-M252 WeakPolarHBondContact CA-O 3.41Å; M230-M252 HydrophobicContact CE-SD 4.44Å; M231-M252 PolarHBondContact N-O 2.82Å; M252-I274 WeakPolarHBondContact CA-O 3.35Å; M252-I274 HydrophobicContact CE-CD1 4.26Å
253	I	65.3	Low	57	Low	7 Å²	7	61.6 Å²	61.6	4%	0.036	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	116.3	173.4	-56	172.8	0	0	0	107.3	M231 A241 V251 M255 I274 I275 S276	M231-I253 HydrophobicContact CB-CG1 4.45Å; M231-I253 HydrophobicContact CE-CG1 4.44Å; M231-I253 WeakPolarHBondContact O-CA 3.27Å; A241-I253 HydrophobicContact CB-CD1 3.91Å; V251-I253 HydrophobicContact CG1-CD1 4.28Å; V251-I253 HydrophobicContact CG1-CG1 4.05Å; I253-M255 HydrophobicContact CG2-CE 3.8Å; I253-I274 PolarHBondContact N-O 3.07Å; I253-I275 HydrophobicContact CB-CG1 4.33Å; I253-I275 HydrophobicContact CD1-CG1 4.46Å; I253-I275 CarbonylContact O-C 3.59Å; I253-I275 WeakPolarHBondContact O-CA 3.32Å; I253-S276 PolarHBondContact O-N 3.3Å
254	S	64.5	Low	57.2	Low	42 Å²	42	62.8 Å²	62.8	29%	0.294	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116	173.7	179.3	0	0	0	0	109.4	M231 S232 L233 S276	M231-S254 PolarHBondContact O-N 2.86Å; S232-S254 CarbonylContact C-O 3.39Å; S232-S254 WeakPolarHBondContact CA-O 3.43Å; L233-S254 PolarHBondContact N-O 2.89Å; S254-S276 WeakPolarHBondContact CA-O 2.82Å
255	M	64.5	Low	57.4	Low	10 Å²	10	60.2 Å²	60.2	5%	0.049	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	150.4	171.3	-76.2	173.7	-101.2	0	0	109.3	L233 T239 I253 A261 I275 S276 V277 P278	L233-M255 HydrophobicContact CB-CG 3.82Å; L233-M255 HydrophobicContact CD1-CG 3.78Å; L233-M255 HydrophobicContact CD1-SD 4.31Å; L233-M255 HydrophobicContact CG-CG 4.37Å; L233-M255 CarbonylContact O-C 3.55Å; L233-M255 WeakPolarHBondContact O-CA 3.13Å; T239-M255 HydrophobicContact CG2-CE 3.58Å; T239-M255 HydrophobicContact CG2-SD 3.9Å; T239-M255 PolarHBondContact OG1-SD 3.37Å; I253-M255 HydrophobicContact CG2-CE 3.8Å; M255-A261 HydrophobicContact CE-CB 4.48Å; M255-I275 HydrophobicContact CE-CG2 4.35Å; M255-S276 PolarHBondContact N-O 3.11Å; M255-V277 HydrophobicContact CB-CG1 3.97Å; M255-V277 HydrophobicContact CB-CG2 4.23Å; M255-V277 HydrophobicContact CE-CG2 3.87Å; M255-V277 HydrophobicContact SD-CG2 4.44Å; M255-P278 WeakPolarHBondContact O-CD 3.44Å
256	R	62.2	Low	57.4	Low	161 Å²	161	58 Å²	58	61%	0.608	27%	0.272	S	S	*	.			trans	-105.1	-32.5	172.8	-77.7	-168.8	178.7	-171.9	-0.4	114.5	L233 K234	L233-R256 PolarHBondContact O-N 3.4Å; K234-R256 WeakPolarHBondContact O-CB 3.49Å
257	R	58.1	Low	57.3	Low	135 Å²	135	63.2 Å²	63.2	51%	0.509	29%	0.291	S	S	.	.	S	Bend	trans	-154.6	133.7	-174.8	-71.5	-167.2	173.7	-178.9	-1.5	113.1	K234 R235	K234-R257 PolarHBondContact O-N 3.3Å; R235-R257 WeakPolarHBondContact CA-O 3.43Å; R235-R257 HydrophobicContact CG-CB 4.4Å
258	R	56.5	Low	57	Low	200 Å²	200	64.8 Å²	64.8	76%	0.755	29%	0.293	S	S	*	.			trans	48.6	98.6	156.4	-85.7	-164.1	-178.8	-178.8	-2.5	115.1	C236 D237 R279	C236-R258 CarbonylContact C-O 3.55Å; C236-R258 CarbonylContact O-C 3.57Å; C236-R258 VanDerWaalsContact O-C 3.23Å; D237-R258 WeakPolarHBondContact CA-O 3.49Å; R258-R279 PolarHBondContact N-O 2.97Å
259	G	57.2	Low	56.9	Low	10 Å²	10	64.3 Å²	64.3	10%	0.103	29%	0.288	C	S	.	.			trans	-171.6	167.1	147.1	0	0	0	0	0	110.7	C236 D237	C236-G259 VanDerWaalsContact O-CA 3.32Å; C236-G259 WeakPolarHBondContact O-CA 3.3Å; C236-G259 PolarHBondContact O-N 2.8Å; D237-G259 VanDerWaalsContact C-CA 3.46Å; D237-G259 WeakPolarHBondContact O-CA 3.18Å
260	D	59	Low	56.5	Low	66 Å²	66	69.5 Å²	69.5	35%	0.353	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	135.8	170.5	-69	-19.8	0	0	0	108.7	D238 T239 D282	D238-D260 WeakPolarHBondContact OD1-CB 3.28Å; D238-D260 PolarHBondContact OD1-N 3Å; T239-D260 PolarHBondContact N-O 2.82Å; D260-D282 WeakPolarHBondContact CA-O 3.5Å; D260-D282 PolarHBondContact OD1-N 3.34Å
261	A	60.5	Low	56.1	Low	5 Å²	5	66.7 Å²	66.7	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	106.1	-178.4	0	0	0	0	0	109.6	T239 M255 D282 V283 R284	T239-A261 WeakPolarHBondContact O-CA 3.3Å; M255-A261 HydrophobicContact CE-CB 4.48Å; A261-D282 PolarHBondContact N-O 3.18Å; A261-V283 HydrophobicContact CB-CG1 4.48Å; A261-V283 HydrophobicContact CB-CG2 4.39Å; A261-V283 WeakPolarHBondContact O-CA 3.4Å; A261-R284 PolarHBondContact O-N 2.74Å
262	T	61.7	Low	56	Low	38 Å²	38	69.4 Å²	69.4	23%	0.233	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.9	173.1	-56	0	0	0	0	109.7	T239 T240 A241 E264 R284	T239-T262 PolarHBondContact O-N 2.8Å; T240-T262 CarbonylContact C-O 3.5Å; T240-T262 WeakPolarHBondContact CA-O 3.4Å; T240-T262 HydrophobicContact CG2-CG2 4.48Å; A241-T262 PolarHBondContact N-O 2.95Å; T262-E264 HydrophobicContact CG2-CG 4.16Å; T262-R284 WeakPolarHBondContact CA-O 3.22Å
263	A	57.9	Low	55.7	Low	11 Å²	11	66 Å²	66	9%	0.091	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115.2	173.6	0	0	0	0	0	109.9	I275 R284 T285 Q286 M298	A263-I275 HydrophobicContact CB-CD1 3.78Å; A263-R284 PolarHBondContact N-O 3.34Å; A263-T285 HydrophobicContact CB-CG2 4.47Å; A263-T285 WeakPolarHBondContact O-CA 3.06Å; A263-Q286 PolarHBondContact O-N 2.93Å; A263-M298 HydrophobicContact CB-CE 3.86Å
264	E	55.7	Low	55.7	Low	34 Å²	34	68.4 Å²	68.4	16%	0.159	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136	173.9	-56.7	-156.4	172.3	0	0	112.1	A241 E242 M243 T262 W266 Q286	A241-E264 PolarHBondContact O-N 2.83Å; E242-E264 CarbonylContact C-O 3.49Å; E242-E264 WeakPolarHBondContact CA-O 3.37Å; E242-E264 HydrophobicContact CG-CB 4.12Å; E242-E264 HydrophobicContact CG-CG 4.43Å; M243-E264 PolarHBondContact N-O 2.79Å; T262-E264 HydrophobicContact CG2-CG 4.16Å; E264-W266 PolarHBondContact OE2-NE1 3.23Å; E264-Q286 VanDerWaalsContact CA-O 3.24Å; E264-Q286 WeakPolarHBondContact CA-O 3.38Å; E264-Q286 HydrophobicContact CG-CB 4.37Å
265	M	52.8	Low	55.7	Low	26 Å²	26	66.6 Å²	66.6	13%	0.128	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.8	178	-160.7	-172.1	-51.9	0	0	111.7	M243 V273 Q286 E287 M288 N293 V296	M243-M265 HydrophobicContact CB-CG 4.18Å; M243-M265 HydrophobicContact CE-CE 4.47Å; M243-M265 CarbonylContact O-C 3.51Å; M243-M265 WeakPolarHBondContact O-CA 3.24Å; M265-V273 HydrophobicContact CE-CG2 4.02Å; M265-Q286 PolarHBondContact N-O 2.05Å; M265-E287 HydrophobicContact CB-CG 4.31Å; M265-M288 PolarHBondContact O-N 3.42Å; M265-N293 PolarHBondContact SD-ND2 3.07Å; M265-V296 HydrophobicContact CE-CG2 3.36Å
266	W	44.2	Very low	55.9	Low	90 Å²	90	68 Å²	68	34%	0.341	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.2	178	-63	78.7	0	0	0	108.7	M243 K244 E264 M288	M243-W266 PolarHBondContact O-N 3.2Å; K244-W266 CarbonylContact C-O 3.54Å; K244-W266 WeakPolarHBondContact CA-O 3.24Å; K244-W266 HydrophobicContact CB-CB 4.5Å; K244-W266 HydrophobicContact CG-CB 4.06Å; K244-W266 HydrophobicContact CG-CG 4.32Å; E264-W266 PolarHBondContact OE2-NE1 3.23Å; W266-M288 HydrophobicContact CD2-CB 3.8Å; W266-M288 HydrophobicContact CE3-CB 3.73Å; W266-M288 HydrophobicContact CH2-CB 4.05Å; W266-M288 HydrophobicContact CH2-CE 3.18Å; W266-M288 HydrophobicContact CH2-CG 4.18Å; W266-M288 HydrophobicContact CH2-SD 3.4Å; W266-M288 WeakPolarHBondContact CH2-SD 3.2Å; W266-M288 HydrophobicContact CZ2-CB 4.1Å; W266-M288 HydrophobicContact CZ2-CE 3.15Å; W266-M288 HydrophobicContact CZ2-CG 4.18Å; W266-M288 HydrophobicContact CZ2-SD 3.84Å; W266-M288 HydrophobicContact CZ3-CB 3.85Å; W266-M288 HydrophobicContact CZ3-CE 4.21Å; W266-M288 HydrophobicContact CZ3-CG 4.43Å; W266-M288 HydrophobicContact CZ3-SD 3.86Å
267	R	46.2	Very low	56.1	Low	133 Å²	133	60.5 Å²	60.5	50%	0.502	27%	0.273	S	S	.	.	S	Bend	trans	60.2	128.4	169.2	-80.3	-178.4	163	169.7	0.2	121.2	E290	R267-E290 HydrophobicContact CG-CB 4.29Å; R267-E290 IonicContact CZ-OE2 2.94Å; R267-E290 VanDerWaalsContact CZ-OE2 3.28Å; R267-E290 IonicContact NE-OE2 2.88Å; R267-E290 PolarHBondContact NE-OE2 3.49Å; R267-E290 IonicContact NH2-OE2 3.41Å; R267-E290 PolarHBondContact NH2-OE2 2.96Å
268	R	43.4	Very low	56.3	Low	128 Å²	128	55.8 Å²	55.8	48%	0.483	26%	0.26	S	S	.	.			trans	11.3	111.9	153.9	-72	-153.5	171.7	167.9	4.3	120.6	F246 E290 Y291	F246-R268 CarbonylContact O-C 3.52Å; R268-E290 WeakPolarHBondContact CG-O 3.33Å; R268-Y291 VanDerWaalsContact CG-O 3.31Å; R268-Y291 WeakPolarHBondContact CG-O 3.36Å; R268-Y291 PolarHBondContact NE-O 3.41Å
269	Q	47	Very low	56.6	Low	77 Å²	77	52.3 Å²	52.3	36%	0.36	25%	0.247	S	C	.	.				159.8	120.1	104.4	-98.1	173	8.5	0	0	114.3	F246 Q247	F246-Q269 CarbonylContact C-O 3.56Å; F246-Q269 VanDerWaalsContact CD1-O 3.25Å; F246-Q269 WeakPolarHBondContact CD1-O 3.47Å; F246-Q269 WeakPolarHBondContact O-CA 3.34Å; F246-Q269 VanDerWaalsContact O-CB 3.24Å; F246-Q269 WeakPolarHBondContact O-CB 3.3Å; F246-Q269 PolarHBondContact O-N 3.26Å; Q247-Q269 HydrophobicContact CG-CB 4.42Å
270	Y	46.9	Very low	56.9	Low	127 Å²	127	52.3 Å²	52.3	50%	0.498	25%	0.245	S	C	.	.			trans	42.2	90.5	158.5	-60.5	-76.1	0	0	0	118.3	F246 N248	F246-Y270 VanDerWaalsContact CE1-O 3.29Å; F246-Y270 WeakPolarHBondContact CE1-O 3.24Å; N248-Y270 WeakPolarHBondContact CA-O 3.49Å; N248-Y270 PolarHBondContact N-O 3.03Å; N248-Y270 VanDerWaalsContact OD1-CB 3.23Å; N248-Y270 WeakPolarHBondContact OD1-CB 3.14Å
271	G	50.8	Low	57.3	Low	19 Å²	19	49.9 Å²	49.9	20%	0.196	24%	0.235	C	C	.	.			trans	-178.2	154.2	167.5	0	0	0	0	0	110.7	G249	G249-G271 WeakPolarHBondContact O-CA 3.4Å
272	D	57.7	Low	57.4	Low	59 Å²	59	51.8 Å²	51.8	32%	0.316	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134.1	171.5	-66.4	-25.3	0	0	0	109.4	D250 V251 R294	D250-D272 PolarHBondContact OD1-N 2.79Å; V251-D272 PolarHBondContact N-O 3.38Å; D272-R294 WeakPolarHBondContact OD1-CB 3.32Å
273	V	58.5	Low	57.4	Low	8 Å²	8	50 Å²	50	5%	0.048	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.2	172.3	177.3	0	0	0	0	107.3	M243 V251 M265 I275 V296 T297	M243-V273 HydrophobicContact CE-CB 4.37Å; M243-V273 HydrophobicContact CE-CG1 3.83Å; M243-V273 HydrophobicContact CE-CG2 3.63Å; M243-V273 HydrophobicContact SD-CG2 3.87Å; V251-V273 HydrophobicContact CB-CG2 4.48Å; V251-V273 WeakPolarHBondContact O-CA 3.32Å; M265-V273 HydrophobicContact CE-CG2 4.02Å; V273-I275 HydrophobicContact CG1-CD1 4.08Å; V273-I275 HydrophobicContact CG1-CG1 4.03Å; V273-V296 HydrophobicContact CB-CG1 4.26Å; V273-V296 HydrophobicContact CB-CG2 4.26Å; V273-V296 HydrophobicContact CG1-CG1 4.2Å; V273-T297 PolarHBondContact O-N 3.01Å
274	I	64.7	Low	57.7	Low	57 Å²	57	55.9 Å²	55.9	29%	0.292	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.3	176	-57.8	176.3	0	0	0	108.6	V251 M252 I253 T297	V251-I274 PolarHBondContact O-N 2.92Å; M252-I274 WeakPolarHBondContact CA-O 3.35Å; M252-I274 HydrophobicContact CE-CD1 4.26Å; I253-I274 PolarHBondContact N-O 3.07Å; I274-T297 WeakPolarHBondContact CA-O 3.41Å
275	I	65.2	Low	57.9	Low	5 Å²	5	54.6 Å²	54.6	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.9	173.5	-62	163.1	0	0	0	107.7	I253 M255 A263 V273 V277 T297 M298 S299	I253-I275 HydrophobicContact CB-CG1 4.33Å; I253-I275 HydrophobicContact CD1-CG1 4.46Å; I253-I275 CarbonylContact O-C 3.59Å; I253-I275 WeakPolarHBondContact O-CA 3.32Å; M255-I275 HydrophobicContact CE-CG2 4.35Å; A263-I275 HydrophobicContact CB-CD1 3.78Å; V273-I275 HydrophobicContact CG1-CD1 4.08Å; V273-I275 HydrophobicContact CG1-CG1 4.03Å; I275-V277 HydrophobicContact CG2-CG2 3.74Å; I275-T297 PolarHBondContact N-O 2.77Å; I275-M298 HydrophobicContact CB-CE 4.32Å; I275-M298 HydrophobicContact CB-CG 4.2Å; I275-M298 HydrophobicContact CD1-CE 3.48Å; I275-M298 VanDerWaalsContact CD1-CE 3.48Å; I275-M298 HydrophobicContact CG1-CE 4.5Å; I275-M298 HydrophobicContact CG2-CE 4.36Å; I275-M298 CarbonylContact O-C 3.57Å; I275-M298 WeakPolarHBondContact O-CA 3.21Å; I275-S299 PolarHBondContact O-N 2.85Å
276	S	67.7	Low	58	Low	39 Å²	39	56.8 Å²	56.8	27%	0.273	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.6	178.1	-67.5	0	0	0	0	110.1	I253 S254 M255 S299	I253-S276 PolarHBondContact O-N 3.3Å; S254-S276 WeakPolarHBondContact CA-O 2.82Å; M255-S276 PolarHBondContact N-O 3.11Å; S276-S299 WeakPolarHBondContact CA-O 3.46Å
277	V	66	Low	58.4	Low	3 Å²	3	53.9 Å²	53.9	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	110	-179.2	-163.1	0	0	0	0	109.4	M255 I275 R279 S299 L300 Q301	M255-V277 HydrophobicContact CB-CG1 3.97Å; M255-V277 HydrophobicContact CB-CG2 4.23Å; M255-V277 HydrophobicContact CE-CG2 3.87Å; M255-V277 HydrophobicContact SD-CG2 4.44Å; I275-V277 HydrophobicContact CG2-CG2 3.74Å; V277-R279 VanDerWaalsContact C-N 3.31Å; V277-R279 PolarHBondContact O-N 3.17Å; V277-S299 PolarHBondContact N-O 2.93Å; V277-L300 HydrophobicContact CB-CD2 3.69Å; V277-L300 HydrophobicContact CG2-CD2 4.04Å; V277-L300 VanDerWaalsContact O-CA 3.3Å; V277-L300 WeakPolarHBondContact O-CA 3.36Å; V277-Q301 PolarHBondContact O-N 2.91Å
278	P	62.5	Low	58	Low	37 Å²	37	50.5 Å²	50.5	24%	0.24	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	-26.1	179.4	3.4	3.3	0	0	0	112.5	M255 Q301 R302	M255-P278 WeakPolarHBondContact O-CD 3.44Å; P278-Q301 HydrophobicContact CB-CB 4.35Å; P278-Q301 HydrophobicContact CB-CG 4.36Å; P278-Q301 VanDerWaalsContact O-CB 3.27Å; P278-Q301 WeakPolarHBondContact O-CB 3.43Å; P278-R302 PolarHBondContact O-N 2.91Å
279	R	62.1	Low	57.8	Low	127 Å²	127	49.9 Å²	49.9	48%	0.479	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	105.5	177.9	-73	-171	170	161.5	-3.7	110	R258 V277 R302	R258-R279 PolarHBondContact N-O 2.97Å; V277-R279 VanDerWaalsContact C-N 3.31Å; V277-R279 PolarHBondContact O-N 3.17Å; R279-R302 VanDerWaalsContact CA-O 3.29Å; R279-R302 WeakPolarHBondContact CA-O 3.36Å; R279-R302 HydrophobicContact CG-CB 4.12Å
280	S	64.3	Low	57.4	Low	9 Å²	9	50.9 Å²	50.9	6%	0.063	24%	0.242	C	C	.	.			trans	-112.9	160.5	169.3	55.5	0	0	0	0	109.8	V283 R302 C303	S280-V283 WeakPolarHBondContact OG-CG2 3.33Å; S280-R302 PolarHBondContact N-O 2.95Å; S280-C303 WeakPolarHBondContact O-CA 3.4Å; S280-C303 PolarHBondContact OG-SG 2.82Å
281	G	67	Low	56.8	Low	15 Å²	15	50.7 Å²	50.7	16%	0.155	24%	0.241	C	C	.	.	S	Bend	trans	-77.3	-98.6	158.1	0	0	0	0	0	107.4	D304	G281-D304 WeakPolarHBondContact CA-OD2 3.35Å; G281-D304 PolarHBondContact O-N 2.88Å
282	D	63.8	Low	56.5	Low	46 Å²	46	58.7 Å²	58.7	25%	0.246	27%	0.265	C	S	.	.			trans	-91.5	139.8	-180	-68.3	-10.3	0	0	0	112.4	D260 A261 D305	D260-D282 WeakPolarHBondContact CA-O 3.5Å; D260-D282 PolarHBondContact OD1-N 3.34Å; A261-D282 PolarHBondContact N-O 3.18Å; D282-D305 WeakPolarHBondContact OD1-CB 3.23Å
283	V	61.8	Low	56	Low	1 Å²	1	59 Å²	59	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	117.5	172.5	-174.1	0	0	0	0	110	A261 S280 M298 L300 C303 D305 V306 T307	A261-V283 HydrophobicContact CB-CG1 4.48Å; A261-V283 HydrophobicContact CB-CG2 4.39Å; A261-V283 WeakPolarHBondContact O-CA 3.4Å; S280-V283 WeakPolarHBondContact OG-CG2 3.33Å; V283-M298 HydrophobicContact CG1-CE 3.97Å; V283-M298 HydrophobicContact CG1-SD 3.75Å; V283-L300 HydrophobicContact CB-CD1 4.28Å; V283-L300 HydrophobicContact CG1-CD1 4.11Å; V283-L300 HydrophobicContact CG2-CD1 3.94Å; V283-L300 HydrophobicContact CG2-CD2 4.1Å; V283-C303 HydrophobicContact CG2-CB 4.45Å; V283-D305 PolarHBondContact N-O 2.79Å; V283-V306 HydrophobicContact CB-CG2 4.38Å; V283-T307 PolarHBondContact O-N 2.04Å
284	R	64.2	Low	55.6	Low	134 Å²	134	68 Å²	68	51%	0.506	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135	176.6	-80.5	176.5	171.9	155.3	5.5	110.6	A261 T262 A263 T307	A261-R284 PolarHBondContact O-N 2.74Å; T262-R284 WeakPolarHBondContact CA-O 3.22Å; A263-R284 PolarHBondContact N-O 3.34Å; R284-T307 VanDerWaalsContact CG-OG1 3.31Å; R284-T307 WeakPolarHBondContact CG-OG1 3.3Å
285	T	59.7	Low	55.3	Low	7 Å²	7	65.7 Å²	65.7	4%	0.043	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.7	169.4	72	0	0	0	0	109.8	A263 M298 T307 P308 Q309 V313	A263-T285 HydrophobicContact CB-CG2 4.47Å; A263-T285 WeakPolarHBondContact O-CA 3.06Å; T285-M298 HydrophobicContact CG2-CE 3.44Å; T285-M298 VanDerWaalsContact CG2-CE 3.44Å; T285-M298 HydrophobicContact CG2-SD 3.35Å; T285-M298 WeakPolarHBondContact CG2-SD 3.37Å; T285-T307 PolarHBondContact N-O 2.85Å; T285-P308 VanDerWaalsContact OG1-CA 3.24Å; T285-P308 WeakPolarHBondContact OG1-CA 3.23Å; T285-Q309 VanDerWaalsContact O-CB 3.23Å; T285-Q309 WeakPolarHBondContact O-CB 3.23Å; T285-Q309 WeakPolarHBondContact O-CG 3.21Å; T285-Q309 PolarHBondContact O-N 3.17Å; T285-Q309 PolarHBondContact OG1-N 3.19Å; T285-V313 HydrophobicContact CG2-CG1 4.45Å
286	Q	53.5	Low	55.1	Low	72 Å²	72	65.8 Å²	65.8	34%	0.336	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	103.8	179.4	-169.5	167.6	-11.4	0	0	109.1	A263 E264 M265	A263-Q286 PolarHBondContact O-N 2.93Å; E264-Q286 VanDerWaalsContact CA-O 3.24Å; E264-Q286 WeakPolarHBondContact CA-O 3.38Å; E264-Q286 HydrophobicContact CG-CB 4.37Å; M265-Q286 PolarHBondContact N-O 2.05Å
287	E	53.7	Low	54.9	Low	29 Å²	29	66.5 Å²	66.5	14%	0.136	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	139.7	167.9	-70	-163.6	140.6	0	0	110.2	M265 N293 N310	M265-E287 HydrophobicContact CB-CG 4.31Å; E287-N293 PolarHBondContact OE1-ND2 2.8Å; E287-N310 HydrophobicContact CB-CB 3.67Å; E287-N310 HydrophobicContact CG-CB 4.12Å; E287-N310 PolarHBondContact O-ND2 3.44Å
288	M	36.8	Very low	54.9	Low	61 Å²	61	66.4 Å²	66.4	30%	0.3	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	104.5	162.5	-81.5	-142.7	-115.7	0	0	111.3	M265 W266	M265-M288 PolarHBondContact O-N 3.42Å; W266-M288 HydrophobicContact CD2-CB 3.8Å; W266-M288 HydrophobicContact CE3-CB 3.73Å; W266-M288 HydrophobicContact CH2-CB 4.05Å; W266-M288 HydrophobicContact CH2-CE 3.18Å; W266-M288 HydrophobicContact CH2-CG 4.18Å; W266-M288 HydrophobicContact CH2-SD 3.4Å; W266-M288 WeakPolarHBondContact CH2-SD 3.2Å; W266-M288 HydrophobicContact CZ2-CB 4.1Å; W266-M288 HydrophobicContact CZ2-CE 3.15Å; W266-M288 HydrophobicContact CZ2-CG 4.18Å; W266-M288 HydrophobicContact CZ2-SD 3.84Å; W266-M288 HydrophobicContact CZ3-CB 3.85Å; W266-M288 HydrophobicContact CZ3-CE 4.21Å; W266-M288 HydrophobicContact CZ3-CG 4.43Å; W266-M288 HydrophobicContact CZ3-SD 3.86Å
289	W	40.6	Very low	55.3	Low	115 Å²	115	67.6 Å²	67.6	44%	0.436	30%	0.302	S	S	.	.			trans	37.7	110.5	153.2	-57.5	81.7	0	0	0	121	E329	W289-E329 HydrophobicContact CZ2-CB 3.68Å; W289-E329 VanDerWaalsContact CZ2-CD 3.45Å; W289-E329 HydrophobicContact CZ2-CG 3.9Å; W289-E329 WeakPolarHBondContact CZ2-OE1 3.13Å; W289-E329 VanDerWaalsContact NE1-CD 3.34Å; W289-E329 PolarHBondContact NE1-OE2 3.3Å
290	E	37.5	Very low	55.6	Low	99 Å²	99	61.8 Å²	61.8	46%	0.463	28%	0.281	S	S	.	.				164.5	100.4	117.9	-97.8	-171.6	129.4	0	0	109.9	R267 R268	R267-E290 HydrophobicContact CG-CB 4.29Å; R267-E290 IonicContact CZ-OE2 2.94Å; R267-E290 VanDerWaalsContact CZ-OE2 3.28Å; R267-E290 IonicContact NE-OE2 2.88Å; R267-E290 PolarHBondContact NE-OE2 3.49Å; R267-E290 IonicContact NH2-OE2 3.41Å; R267-E290 PolarHBondContact NH2-OE2 2.96Å; R268-E290 WeakPolarHBondContact CG-O 3.33Å
291	Y	35.3	Very low	55.9	Low	123 Å²	123	67.4 Å²	67.4	48%	0.482	31%	0.306	S	S	.	.	S	Bend	trans	47.8	111.4	155.9	-77	-85.7	0	0	0	121.7	R268 R331	R268-Y291 VanDerWaalsContact CG-O 3.31Å; R268-Y291 WeakPolarHBondContact CG-O 3.36Å; R268-Y291 PolarHBondContact NE-O 3.41Å; Y291-R331 PolarHBondContact OH-NH1 3.21Å; Y291-R331 PolarHBondContact OH-NH2 3.15Å
292	R	43.2	Very low	55.9	Low	186 Å²	186	73.6 Å²	73.6	70%	0.702	33%	0.325	S	S	*	.			trans	77.2	78.7	163	-67.2	-172.7	179.1	174.4	0.1	116.2
293	N	48.3	Very low	56.1	Low	67 Å²	67	71.6 Å²	71.6	36%	0.358	31%	0.314	S	S	.	.			trans	-94	151.9	159.7	-68.1	-22.5	0	0	0	110.7	M265 E287	M265-N293 PolarHBondContact SD-ND2 3.07Å; E287-N293 PolarHBondContact OE1-ND2 2.8Å
294	R	50.6	Low	56.4	Low	196 Å²	196	75.1 Å²	75.1	74%	0.74	33%	0.333	S	S	*	.			trans	-80.4	-29.4	170.2	-96.2	-170.5	171.2	168.4	-2.6	111.9	D272	D272-R294 WeakPolarHBondContact OD1-CB 3.32Å
295	G	58.2	Low	56.4	Low	8 Å²	8	71.3 Å²	71.3	8%	0.082	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.2	160.4	165.7	0	0	0	0	0	112.5	G312	G295-G312 CarbonylContact C-O 3.22Å; G295-G312 WeakPolarHBondContact CA-O 3.42Å
296	V	60.1	Low	56.6	Low	8 Å²	8	71.1 Å²	71.1	5%	0.048	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.4	168.6	179	0	0	0	0	106.8	M265 V273 M298 G312 V313 T314	M265-V296 HydrophobicContact CE-CG2 3.36Å; V273-V296 HydrophobicContact CB-CG1 4.26Å; V273-V296 HydrophobicContact CB-CG2 4.26Å; V273-V296 HydrophobicContact CG1-CG1 4.2Å; V296-M298 HydrophobicContact CG1-CG 4.2Å; V296-G312 PolarHBondContact N-O 3.21Å; V296-V313 HydrophobicContact CB-CG1 4.29Å; V296-V313 HydrophobicContact CB-CG2 4.19Å; V296-V313 CarbonylContact O-C 3.59Å; V296-V313 VanDerWaalsContact O-CA 3.3Å; V296-V313 WeakPolarHBondContact O-CA 3.45Å; V296-T314 PolarHBondContact O-N 3.26Å
297	T	64.5	Low	57.2	Low	54 Å²	54	69.1 Å²	69.1	33%	0.331	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.4	172.6	-56.1	0	0	0	0	109.5	V273 I274 I275 T314	V273-T297 PolarHBondContact O-N 3.01Å; I274-T297 WeakPolarHBondContact CA-O 3.41Å; I275-T297 PolarHBondContact N-O 2.77Å; T297-T314 CarbonylContact C-O 3.23Å; T297-T314 VanDerWaalsContact CA-O 3.3Å; T297-T314 WeakPolarHBondContact CA-O 3.44Å
298	M	65.5	Low	57.6	Low	1 Å²	1	67.9 Å²	67.9	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.5	172.6	-68.5	-172.1	144.8	0	0	109.8	A263 I275 V283 T285 V296 T314 V315 S316	A263-M298 HydrophobicContact CB-CE 3.86Å; I275-M298 HydrophobicContact CB-CE 4.32Å; I275-M298 HydrophobicContact CB-CG 4.2Å; I275-M298 HydrophobicContact CD1-CE 3.48Å; I275-M298 VanDerWaalsContact CD1-CE 3.48Å; I275-M298 HydrophobicContact CG1-CE 4.5Å; I275-M298 HydrophobicContact CG2-CE 4.36Å; I275-M298 CarbonylContact O-C 3.57Å; I275-M298 WeakPolarHBondContact O-CA 3.21Å; V283-M298 HydrophobicContact CG1-CE 3.97Å; V283-M298 HydrophobicContact CG1-SD 3.75Å; T285-M298 HydrophobicContact CG2-CE 3.44Å; T285-M298 VanDerWaalsContact CG2-CE 3.44Å; T285-M298 HydrophobicContact CG2-SD 3.35Å; T285-M298 WeakPolarHBondContact CG2-SD 3.37Å; V296-M298 HydrophobicContact CG1-CG 4.2Å; M298-T314 PolarHBondContact N-O 2.91Å; M298-V315 HydrophobicContact CB-CB 4.47Å; M298-V315 HydrophobicContact CB-CG1 4.07Å; M298-V315 HydrophobicContact CB-CG2 4.28Å; M298-S316 PolarHBondContact O-N 3.3Å
299	S	70.7	Confident	58.6	Low	61 Å²	61	66.9 Å²	66.9	43%	0.427	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	115.4	174.5	-145.8	0	0	0	0	109.9	I275 S276 V277 S316	I275-S299 PolarHBondContact O-N 2.85Å; S276-S299 WeakPolarHBondContact CA-O 3.46Å; V277-S299 PolarHBondContact N-O 2.93Å; S299-S316 WeakPolarHBondContact CA-O 3.49Å
300	L	68.2	Low	59.4	Low	5 Å²	5	62 Å²	62	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.5	-167.5	-60.6	167.3	0	0	0	109.9	V277 V283 C303 V306 V315 S316 V317 A318	V277-L300 HydrophobicContact CB-CD2 3.69Å; V277-L300 HydrophobicContact CG2-CD2 4.04Å; V277-L300 VanDerWaalsContact O-CA 3.3Å; V277-L300 WeakPolarHBondContact O-CA 3.36Å; V283-L300 HydrophobicContact CB-CD1 4.28Å; V283-L300 HydrophobicContact CG1-CD1 4.11Å; V283-L300 HydrophobicContact CG2-CD1 3.94Å; V283-L300 HydrophobicContact CG2-CD2 4.1Å; L300-C303 WeakPolarHBondContact CB-SG 3.33Å; L300-V306 HydrophobicContact CD1-CG1 4.45Å; L300-V306 HydrophobicContact CD1-CG2 4.15Å; L300-V315 HydrophobicContact CD1-CG1 3.86Å; L300-S316 PolarHBondContact N-O 3.44Å; L300-V317 HydrophobicContact CB-CG1 4.33Å; L300-V317 HydrophobicContact CB-CG2 4.35Å; L300-V317 HydrophobicContact CD1-CG2 4.13Å; L300-V317 CarbonylContact O-C 3.6Å; L300-V317 WeakPolarHBondContact O-CA 3.49Å; L300-A318 PolarHBondContact O-N 2.97Å
301	Q	70.5	Confident	60.2	Low	128 Å²	128	57.8 Å²	57.8	60%	0.598	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	-42.6	174.7	-67.5	-173.4	-29.1	0	0	112.7	V277 P278 A318 T319	V277-Q301 PolarHBondContact O-N 2.91Å; P278-Q301 HydrophobicContact CB-CB 4.35Å; P278-Q301 HydrophobicContact CB-CG 4.36Å; P278-Q301 VanDerWaalsContact O-CB 3.27Å; P278-Q301 WeakPolarHBondContact O-CB 3.43Å; Q301-A318 WeakPolarHBondContact O-CB 3.25Å; Q301-T319 PolarHBondContact O-N 2.83Å; Q301-T319 PolarHBondContact O-OG1 2.89Å
302	R	67.1	Low	61.3	Low	144 Å²	144	53 Å²	53	54%	0.543	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	130.9	175.9	-95.4	-174.4	179.1	-164.9	-3.8	110	P278 R279 S280 T319	P278-R302 PolarHBondContact O-N 2.91Å; R279-R302 VanDerWaalsContact CA-O 3.29Å; R279-R302 WeakPolarHBondContact CA-O 3.36Å; R279-R302 HydrophobicContact CG-CB 4.12Å; S280-R302 PolarHBondContact N-O 2.95Å; R302-T319 VanDerWaalsContact CA-O 3.28Å; R302-T319 WeakPolarHBondContact CA-O 3.31Å; R302-T319 WeakPolarHBondContact CG-OG1 3.41Å
303	C	68.2	Low	62.1	Low	4 Å²	4	44.3 Å²	44.3	3%	0.027	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.9	174.1	-51.3	0	0	0	0	108.4	S280 V283 L300 V306 T319 C320 E321	S280-C303 WeakPolarHBondContact O-CA 3.4Å; S280-C303 PolarHBondContact OG-SG 2.82Å; V283-C303 HydrophobicContact CG2-CB 4.45Å; L300-C303 WeakPolarHBondContact CB-SG 3.33Å; C303-V306 HydrophobicContact CB-CG2 3.6Å; C303-T319 PolarHBondContact N-O 2.83Å; C303-T319 VanDerWaalsContact N-O 3.16Å; C303-C320 HydrophobicContact CB-CB 4.15Å; C303-C320 WeakPolarHBondContact O-CA 3.24Å; C303-C320 WeakPolarHBondContact O-CB 2.97Å; C303-E321 PolarHBondContact O-N 3.21Å
304	D	68.4	Low	62.9	Low	76 Å²	76	43.7 Å²	43.7	41%	0.406	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-64.9	166.8	-58.9	-20.3	0	0	0	106.1	G281 E321 H322	G281-D304 WeakPolarHBondContact CA-OD2 3.35Å; G281-D304 PolarHBondContact O-N 2.88Å; D304-E321 WeakPolarHBondContact O-CA 3.21Å; D304-E321 WeakPolarHBondContact O-CB 3.17Å; D304-E321 PolarHBondContact O-N 2.74Å; D304-H322 PolarHBondContact O-N 2.8Å
305	D	64.4	Low	63.6	Low	54 Å²	54	34.4 Å²	34.4	29%	0.289	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	146.1	176.2	-63.8	-18.4	0	0	0	114.4	D282 V283 H322	D282-D305 WeakPolarHBondContact OD1-CB 3.23Å; V283-D305 PolarHBondContact N-O 2.79Å; D305-H322 CarbonylContact C-O 3.36Å; D305-H322 VanDerWaalsContact CA-O 3.31Å; D305-H322 WeakPolarHBondContact CA-O 3.04Å; D305-H322 VanDerWaalsContact OD1-CB 3.25Å; D305-H322 WeakPolarHBondContact OD1-CB 3.38Å; D305-H322 IonicContact OD1-CG 3.34Å; D305-H322 IonicContact OD1-ND1 3.43Å; D305-H322 PolarHBondContact OD1-ND1 2.97Å
306	V	63.3	Low	64	Low	3 Å²	3	36 Å²	36	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	119.2	174	-178.5	0	0	0	0	110.8	V283 L300 C303 V315 V317 H322 G324	V283-V306 HydrophobicContact CB-CG2 4.38Å; L300-V306 HydrophobicContact CD1-CG1 4.45Å; L300-V306 HydrophobicContact CD1-CG2 4.15Å; C303-V306 HydrophobicContact CB-CG2 3.6Å; V306-V315 HydrophobicContact CG1-CG1 3.99Å; V306-V317 HydrophobicContact CG1-CG2 4.34Å; V306-V317 HydrophobicContact CG2-CG2 4.12Å; V306-H322 PolarHBondContact N-O 2.71Å; V306-G324 PolarHBondContact O-N 2.81Å
307	T	65.8	Low	64.3	Low	30 Å²	30	35.8 Å²	35.8	18%	0.184	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	92.8	-179.6	43.1	0	0	0	0	113.8	V283 R284 T285 Q309 G324	V283-T307 PolarHBondContact O-N 2.04Å; R284-T307 VanDerWaalsContact CG-OG1 3.31Å; R284-T307 WeakPolarHBondContact CG-OG1 3.3Å; T285-T307 PolarHBondContact N-O 2.85Å; T307-Q309 PolarHBondContact O-N 2.92Å; T307-G324 WeakPolarHBondContact CA-O 3.28Å
308	P	61.5	Low	64.4	Low	2 Å²	2	34.6 Å²	34.6	1%	0.013	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	112.6	177.7	30.3	-26.9	0	0	0	112	T285 V313 V315 G324 K325 V335 M337	T285-P308 VanDerWaalsContact OG1-CA 3.24Å; T285-P308 WeakPolarHBondContact OG1-CA 3.23Å; P308-V313 HydrophobicContact CB-CG1 4.42Å; P308-V315 HydrophobicContact CB-CG2 4.13Å; P308-V315 HydrophobicContact CG-CG2 4.36Å; P308-G324 VanDerWaalsContact CD-O 3.23Å; P308-G324 WeakPolarHBondContact CD-O 3.32Å; P308-K325 WeakPolarHBondContact O-CG 3.21Å; P308-V335 HydrophobicContact CB-CG1 4.34Å; P308-V335 HydrophobicContact CG-CG1 4.15Å; P308-M337 HydrophobicContact CG-SD 4.4Å
309	Q	59	Low	64.4	Low	41 Å²	41	37.2 Å²	37.2	19%	0.192	21%	0.208	C	C	.	.			trans	-84	-27.3	-172.3	-59.9	-176.8	-2.5	0	0	114.8	T285 T307	T285-Q309 VanDerWaalsContact O-CB 3.23Å; T285-Q309 WeakPolarHBondContact O-CB 3.23Å; T285-Q309 WeakPolarHBondContact O-CG 3.21Å; T285-Q309 PolarHBondContact O-N 3.17Å; T285-Q309 PolarHBondContact OG1-N 3.19Å; T307-Q309 PolarHBondContact O-N 2.92Å
310	N	57.7	Low	64.1	Low	13 Å²	13	34.8 Å²	34.8	7%	0.07	19%	0.191	C	C	.	.	S	Bend	trans	-138.3	173.7	-167.5	-78.3	-34.5	0	0	0	116.3	E287 V313 N332 V335	E287-N310 HydrophobicContact CB-CB 3.67Å; E287-N310 HydrophobicContact CG-CB 4.12Å; E287-N310 PolarHBondContact O-ND2 3.44Å; N310-V313 WeakPolarHBondContact O-CG2 3.23Å; N310-N332 PolarHBondContact OD1-ND2 3.29Å; N310-N332 PolarHBondContact OD1-OD1 2.9Å; N310-V335 WeakPolarHBondContact O-CG2 3.33Å
311	A	54.5	Low	64	Low	9 Å²	9	39.2 Å²	39.2	7%	0.074	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	153.7	-165.8	0	0	0	0	0	117.4	V313 N332 R333	A311-V313 PolarHBondContact O-N 3.41Å; A311-N332 VanDerWaalsContact CB-C 3.42Å; A311-N332 HydrophobicContact CB-CB 3.59Å; A311-N332 WeakPolarHBondContact CB-OD1 3.11Å; A311-N332 PolarHBondContact N-OD1 3.11Å; A311-R333 HydrophobicContact CB-CB 4.35Å; A311-R333 WeakPolarHBondContact CB-O 3.45Å
312	G	56.7	Low	63.6	Low	24 Å²	24	36.8 Å²	36.8	25%	0.247	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	5.1	-179.5	0	0	0	0	0	113.1	G295 V296 R333 G334	G295-G312 CarbonylContact C-O 3.22Å; G295-G312 WeakPolarHBondContact CA-O 3.42Å; V296-G312 PolarHBondContact N-O 3.21Å; G312-R333 PolarHBondContact N-O 3.38Å; G312-G334 PolarHBondContact N-O 2.82Å
313	V	61.3	Low	63.2	Low	2 Å²	2	29.9 Å²	29.9	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	125.6	174.3	-170.3	0	0	0	0	109.5	T285 V296 P308 N310 A311 V315 T336	T285-V313 HydrophobicContact CG2-CG1 4.45Å; V296-V313 HydrophobicContact CB-CG1 4.29Å; V296-V313 HydrophobicContact CB-CG2 4.19Å; V296-V313 CarbonylContact O-C 3.59Å; V296-V313 VanDerWaalsContact O-CA 3.3Å; V296-V313 WeakPolarHBondContact O-CA 3.45Å; P308-V313 HydrophobicContact CB-CG1 4.42Å; N310-V313 WeakPolarHBondContact O-CG2 3.23Å; A311-V313 PolarHBondContact O-N 3.41Å; V313-V315 HydrophobicContact CG1-CG2 3.54Å; V313-T336 PolarHBondContact O-N 3.21Å
314	T	63.9	Low	62.8	Low	54 Å²	54	30.2 Å²	30.2	33%	0.331	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	114.2	167	-57.7	0	0	0	0	108	V296 T297 M298 T336	V296-T314 PolarHBondContact O-N 3.26Å; T297-T314 CarbonylContact C-O 3.23Å; T297-T314 VanDerWaalsContact CA-O 3.3Å; T297-T314 WeakPolarHBondContact CA-O 3.44Å; M298-T314 PolarHBondContact N-O 2.91Å; T314-T336 VanDerWaalsContact CA-O 3.31Å; T314-T336 WeakPolarHBondContact CA-O 3.43Å
315	V	66.3	Low	62.2	Low	1 Å²	1	27.1 Å²	27.1	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.7	177.5	-170.4	0	0	0	0	109	M298 L300 V306 P308 V313 V317 T336 M337 S338	M298-V315 HydrophobicContact CB-CB 4.47Å; M298-V315 HydrophobicContact CB-CG1 4.07Å; M298-V315 HydrophobicContact CB-CG2 4.28Å; L300-V315 HydrophobicContact CD1-CG1 3.86Å; V306-V315 HydrophobicContact CG1-CG1 3.99Å; P308-V315 HydrophobicContact CB-CG2 4.13Å; P308-V315 HydrophobicContact CG-CG2 4.36Å; V313-V315 HydrophobicContact CG1-CG2 3.54Å; V315-V317 HydrophobicContact CG1-CG2 3.69Å; V315-T336 PolarHBondContact N-O 2.8Å; V315-M337 HydrophobicContact CB-CG 4.26Å; V315-M337 CarbonylContact O-C 3.52Å; V315-M337 WeakPolarHBondContact O-CA 2.85Å; V315-S338 PolarHBondContact O-N 2.97Å
316	S	66.9	Low	61.5	Low	42 Å²	42	28.7 Å²	28.7	29%	0.294	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.3	171.3	-63.7	0	0	0	0	109.3	M298 S299 L300 S338	M298-S316 PolarHBondContact O-N 3.3Å; S299-S316 WeakPolarHBondContact CA-O 3.49Å; L300-S316 PolarHBondContact N-O 3.44Å; S316-S338 CarbonylContact C-O 3.5Å; S316-S338 VanDerWaalsContact CA-O 3.31Å; S316-S338 WeakPolarHBondContact CA-O 3.26Å
317	V	65.6	Low	60.6	Low	3 Å²	3	29.7 Å²	29.7	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.2	-178.2	-168	0	0	0	0	109.4	L300 V306 V315 T319 C320 S338 V339 Q340	L300-V317 HydrophobicContact CB-CG1 4.33Å; L300-V317 HydrophobicContact CB-CG2 4.35Å; L300-V317 HydrophobicContact CD1-CG2 4.13Å; L300-V317 CarbonylContact O-C 3.6Å; L300-V317 WeakPolarHBondContact O-CA 3.49Å; V306-V317 HydrophobicContact CG1-CG2 4.34Å; V306-V317 HydrophobicContact CG2-CG2 4.12Å; V315-V317 HydrophobicContact CG1-CG2 3.69Å; V317-T319 WeakPolarHBondContact CG1-O 3.34Å; V317-C320 HydrophobicContact CG1-CB 4.03Å; V317-S338 PolarHBondContact N-O 2.96Å; V317-V339 HydrophobicContact CB-CG2 4.25Å; V317-V339 HydrophobicContact CG2-CG2 4.38Å; V317-V339 CarbonylContact O-C 3.54Å; V317-V339 VanDerWaalsContact O-CA 3.29Å; V317-V339 WeakPolarHBondContact O-CA 3.27Å; V317-Q340 PolarHBondContact O-N 3.36Å
318	A	67.6	Low	59.2	Low	30 Å²	30	32.5 Å²	32.5	25%	0.248	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-49.9	173.5	0	0	0	0	0	111.4	L300 Q301 Q340 G341	L300-A318 PolarHBondContact O-N 2.97Å; Q301-A318 WeakPolarHBondContact O-CB 3.25Å; A318-Q340 CarbonylContact O-C 3.53Å; A318-Q340 VanDerWaalsContact O-CB 3.3Å; A318-Q340 WeakPolarHBondContact O-CB 3.22Å; A318-G341 PolarHBondContact O-N 3.07Å
319	T	64.1	Low	58	Low	56 Å²	56	37.4 Å²	37.4	34%	0.344	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	141.5	174.7	44.1	0	0	0	0	112.8	Q301 R302 C303 V317 G341	Q301-T319 PolarHBondContact O-N 2.83Å; Q301-T319 PolarHBondContact O-OG1 2.89Å; R302-T319 VanDerWaalsContact CA-O 3.28Å; R302-T319 WeakPolarHBondContact CA-O 3.31Å; R302-T319 WeakPolarHBondContact CG-OG1 3.41Å; C303-T319 PolarHBondContact N-O 2.83Å; C303-T319 VanDerWaalsContact N-O 3.16Å; V317-T319 WeakPolarHBondContact CG1-O 3.34Å; T319-G341 CarbonylContact C-O 3.6Å; T319-G341 WeakPolarHBondContact CA-O 3.42Å
320	C	65.4	Low	56.7	Low	9 Å²	9	39.6 Å²	39.6	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	164.9	168.4	76.7	0	0	0	0	114.3	C303 V317 H322 G341 C342 D343	C303-C320 HydrophobicContact CB-CB 4.15Å; C303-C320 WeakPolarHBondContact O-CA 3.24Å; C303-C320 WeakPolarHBondContact O-CB 2.97Å; V317-C320 HydrophobicContact CG1-CB 4.03Å; C320-H322 PolarHBondContact SG-O 3.01Å; C320-G341 PolarHBondContact N-O 3.47Å; C320-C342 VanDerWaalsContact CA-SG 3.53Å; C320-C342 HydrophobicContact CB-CB 4.28Å; C320-C342 WeakPolarHBondContact CB-SG 3.27Å; C320-C342 PolarHBondContact N-SG 3.07Å; C320-C342 WeakPolarHBondContact O-CA 3.2Å; C320-C342 WeakPolarHBondContact O-CB 3.45Å; C320-C342 WeakPolarHBondContact SG-CB 3.48Å; C320-C342 CovalentContact SG-SG 2.01Å; C320-C342 PolarHBondContact SG-SG 3.15Å; C320-D343 PolarHBondContact O-N 3.08Å
321	E	65.8	Low	55.8	Low	98 Å²	98	46 Å²	46	46%	0.458	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-55.9	168.9	-66.3	-172.6	170.6	0	0	109	C303 D304 D343 D344	C303-E321 PolarHBondContact O-N 3.21Å; D304-E321 WeakPolarHBondContact O-CA 3.21Å; D304-E321 WeakPolarHBondContact O-CB 3.17Å; D304-E321 PolarHBondContact O-N 2.74Å; E321-D343 WeakPolarHBondContact O-CB 3.19Å; E321-D343 PolarHBondContact O-N 3.32Å; E321-D344 PolarHBondContact O-N 2.02Å
322	H	62.8	Low	55.4	Low	77 Å²	77	46.2 Å²	46.2	36%	0.356	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.6	176.1	-46.3	77	0	0	0	113.1	D304 D305 V306 C320 D344	D304-H322 PolarHBondContact O-N 2.8Å; D305-H322 CarbonylContact C-O 3.36Å; D305-H322 VanDerWaalsContact CA-O 3.31Å; D305-H322 WeakPolarHBondContact CA-O 3.04Å; D305-H322 VanDerWaalsContact OD1-CB 3.25Å; D305-H322 WeakPolarHBondContact OD1-CB 3.38Å; D305-H322 IonicContact OD1-CG 3.34Å; D305-H322 IonicContact OD1-ND1 3.43Å; D305-H322 PolarHBondContact OD1-ND1 2.97Å; V306-H322 PolarHBondContact N-O 2.71Å; C320-H322 PolarHBondContact SG-O 3.01Å; H322-D344 CarbonylContact C-O 3.58Å; H322-D344 WeakPolarHBondContact CA-O 3.3Å; H322-D344 HydrophobicContact CB-CB 4.49Å; H322-D344 IonicContact CD2-OD2 2.85Å; H322-D344 PolarHBondContact CD2-OD2 3.39Å; H322-D344 IonicContact NE2-OD2 2.74Å; H322-D344 PolarHBondContact NE2-OD2 3.08Å
323	A	58.5	Low	54.9	Low	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	106	168.1	0	0	0	0	0	109.9	M337 C342 D344 V345 T346	A323-M337 HydrophobicContact CB-CE 3.9Å; A323-C342 HydrophobicContact CB-CB 4.48Å; A323-D344 PolarHBondContact N-O 3.04Å; A323-V345 HydrophobicContact CB-CG1 4.35Å; A323-V345 HydrophobicContact CB-CG2 4.31Å; A323-V345 CarbonylContact O-C 3.21Å; A323-V345 WeakPolarHBondContact O-CA 3.2Å; A323-T346 PolarHBondContact O-N 3.17Å
324	G	58.5	Low	54.5	Low	10 Å²	10	56.3 Å²	56.3	10%	0.103	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	147.4	-177	0	0	0	0	0	112.6	V306 T307 P308 T346	V306-G324 PolarHBondContact O-N 2.81Å; T307-G324 WeakPolarHBondContact CA-O 3.28Å; P308-G324 VanDerWaalsContact CD-O 3.23Å; P308-G324 WeakPolarHBondContact CD-O 3.32Å; G324-T346 CarbonylContact C-O 3.58Å; G324-T346 WeakPolarHBondContact CA-O 3.35Å
325	K	56.5	Low	54.1	Low	11 Å²	11	53.9 Å²	53.9	5%	0.048	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.5	156.4	-164.1	-172.7	-174.7	-171.4	0	110.3	P308 M327 V335 T346 T347 Q348	P308-K325 WeakPolarHBondContact O-CG 3.21Å; K325-M327 HydrophobicContact CD-CG 4.03Å; K325-M327 VanDerWaalsContact CE-CG 3.41Å; K325-M327 HydrophobicContact CG-CG 4.46Å; K325-M327 PolarHBondContact NZ-SD 3.15Å; K325-V335 VanDerWaalsContact NZ-CG2 3.32Å; K325-T346 PolarHBondContact N-O 2.8Å; K325-T347 HydrophobicContact CB-CG2 3.75Å; K325-Q348 PolarHBondContact O-N 3.49Å
326	E	50.5	Low	53.6	Low	88 Å²	88	57 Å²	57	41%	0.411	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.4	164.1	-67.3	-162.9	171.3	0	0	109.8	W328 Q348	E326-W328 PolarHBondContact OE2-NE1 2.98Å; E326-Q348 WeakPolarHBondContact CA-O 3.06Å
327	M	44	Very low	53.3	Low	23 Å²	23	55.3 Å²	55.3	11%	0.113	26%	0.262	C	S	.	.			trans	-100.6	115.3	174.4	-85.2	-163.8	-77	0	0	111.4	K325 Q348 A349 V365 F382	K325-M327 HydrophobicContact CD-CG 4.03Å; K325-M327 VanDerWaalsContact CE-CG 3.41Å; K325-M327 HydrophobicContact CG-CG 4.46Å; K325-M327 PolarHBondContact NZ-SD 3.15Å; M327-Q348 PolarHBondContact N-O 3.13Å; M327-A349 HydrophobicContact CE-CB 4.08Å; M327-V365 HydrophobicContact CE-CG2 3.69Å; M327-V365 HydrophobicContact SD-CG2 4.47Å; M327-F382 HydrophobicContact CE-CE1 3.66Å; M327-F382 HydrophobicContact CE-CE2 4.31Å; M327-F382 HydrophobicContact CE-CZ 3.3Å; M327-F382 HydrophobicContact SD-CE1 4.31Å; M327-F382 HydrophobicContact SD-CZ 4.09Å
328	W	36.7	Very low	53.2	Low	89 Å²	89	57.7 Å²	57.7	34%	0.337	28%	0.278	S	S	.	.			trans	-124.3	133.6	170.6	-54.6	93.8	0	0	0	107.4	E326 G350 L352	E326-W328 PolarHBondContact OE2-NE1 2.98Å; W328-G350 VanDerWaalsContact CH2-O 3.24Å; W328-G350 WeakPolarHBondContact CH2-O 3.33Å; W328-G350 WeakPolarHBondContact CZ3-O 3.2Å; W328-L352 HydrophobicContact CH2-CB 4Å; W328-L352 HydrophobicContact CH2-CD1 3.58Å; W328-L352 HydrophobicContact CH2-CG 3.91Å; W328-L352 HydrophobicContact CZ2-CD1 4.38Å; W328-L352 HydrophobicContact CZ3-CB 3.84Å; W328-L352 HydrophobicContact CZ3-CD1 3.96Å; W328-L352 HydrophobicContact CZ3-CG 4.24Å; W328-L352 VanDerWaalsContact CZ3-N 3.25Å
329	E	36.1	Very low	52.8	Low	105 Å²	105	56.3 Å²	56.3	49%	0.491	27%	0.267	S	S	.	.	S	Bend	trans	85.1	163.4	174.3	-71.3	-169.5	129	0	0	122	W289	W289-E329 HydrophobicContact CZ2-CB 3.68Å; W289-E329 VanDerWaalsContact CZ2-CD 3.45Å; W289-E329 HydrophobicContact CZ2-CG 3.9Å; W289-E329 WeakPolarHBondContact CZ2-OE1 3.13Å; W289-E329 VanDerWaalsContact NE1-CD 3.34Å; W289-E329 PolarHBondContact NE1-OE2 3.3Å
330	Y	30.6	Very low	52.7	Low	88 Å²	88	58.3 Å²	58.3	35%	0.345	27%	0.273	S	S	.	.	S	Bend	trans	-90.4	135	-156.2	-155.1	-98.4	0	0	0	112.6	L359 S360	Y330-L359 HydrophobicContact CD2-CB 4.39Å; Y330-L359 HydrophobicContact CD2-CD2 3.6Å; Y330-L359 HydrophobicContact CE2-CD2 4.16Å; Y330-L359 HydrophobicContact CG-CD2 4.38Å; Y330-S360 VanDerWaalsContact CD2-O 3.25Å; Y330-S360 WeakPolarHBondContact CD2-O 2.97Å; Y330-S360 VanDerWaalsContact CE2-N 3.34Å; Y330-S360 VanDerWaalsContact CE2-O 3.3Å; Y330-S360 WeakPolarHBondContact CE2-O 2.83Å
331	R	40.3	Very low	52.2	Low	147 Å²	147	58.7 Å²	58.7	56%	0.555	28%	0.277	S	S	*	.			trans	77.5	59.2	174.4	-68.9	173.7	172.9	149.3	-1.3	117.6	Y291	Y291-R331 PolarHBondContact OH-NH1 3.21Å; Y291-R331 PolarHBondContact OH-NH2 3.15Å
332	N	44.9	Very low	51.9	Low	14 Å²	14	54.1 Å²	54.1	8%	0.075	26%	0.256	C	S	.	.			trans	-94.6	106.6	172.1	-82.1	-32.4	0	0	0	113.5	N310 A311 G334 R362 G363	N310-N332 PolarHBondContact OD1-ND2 3.29Å; N310-N332 PolarHBondContact OD1-OD1 2.9Å; A311-N332 VanDerWaalsContact CB-C 3.42Å; A311-N332 HydrophobicContact CB-CB 3.59Å; A311-N332 WeakPolarHBondContact CB-OD1 3.11Å; A311-N332 PolarHBondContact N-OD1 3.11Å; N332-G334 VanDerWaalsContact C-N 3.32Å; N332-G334 PolarHBondContact O-N 2.93Å; N332-R362 CarbonylContact C-O 3.4Å; N332-G363 WeakPolarHBondContact O-CA 3.09Å
333	R	46.2	Very low	51.7	Low	210 Å²	210	54.3 Å²	54.3	79%	0.792	26%	0.26	S	S	*	.			trans	-71.4	81.1	163.8	-80.4	-172.8	173	-178.5	-5.7	111.5	A311 G312	A311-R333 HydrophobicContact CB-CB 4.35Å; A311-R333 WeakPolarHBondContact CB-O 3.45Å; G312-R333 PolarHBondContact N-O 3.38Å
334	G	52.7	Low	51.4	Low	27 Å²	27	56.9 Å²	56.9	28%	0.278	27%	0.274	S	S	.	.			trans	63.1	140.5	161.7	0	0	0	0	0	117.6	G312 N332 D364	G312-G334 PolarHBondContact N-O 2.82Å; N332-G334 VanDerWaalsContact C-N 3.32Å; N332-G334 PolarHBondContact O-N 2.93Å; G334-D364 VanDerWaalsContact CA-O 3.29Å; G334-D364 WeakPolarHBondContact CA-O 3.13Å
335	V	55.7	Low	51	Low	4 Å²	4	56.8 Å²	56.8	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.8	167.9	174.8	0	0	0	0	107	P308 N310 K325 I366	P308-V335 HydrophobicContact CB-CG1 4.34Å; P308-V335 HydrophobicContact CG-CG1 4.15Å; N310-V335 WeakPolarHBondContact O-CG2 3.33Å; K325-V335 VanDerWaalsContact NZ-CG2 3.32Å; V335-I366 PolarHBondContact O-N 2.85Å
336	T	57.2	Low	51	Low	66 Å²	66	59.5 Å²	59.5	41%	0.405	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.4	174	-54	0	0	0	0	108.2	V313 T314 V315	V313-T336 PolarHBondContact O-N 3.21Å; T314-T336 VanDerWaalsContact CA-O 3.31Å; T314-T336 WeakPolarHBondContact CA-O 3.43Å; V315-T336 PolarHBondContact N-O 2.8Å
337	M	60.5	Low	51.1	Low	6 Å²	6	56 Å²	56	3%	0.03	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125.2	176.3	-166.1	172.1	71.7	0	0	109.4	P308 V315 A323 V339 I366 M367 S368	P308-M337 HydrophobicContact CG-SD 4.4Å; V315-M337 HydrophobicContact CB-CG 4.26Å; V315-M337 CarbonylContact O-C 3.52Å; V315-M337 WeakPolarHBondContact O-CA 2.85Å; A323-M337 HydrophobicContact CB-CE 3.9Å; M337-V339 HydrophobicContact CE-CG2 3.97Å; M337-V339 HydrophobicContact CG-CG2 3.81Å; M337-V339 HydrophobicContact SD-CG2 4.2Å; M337-I366 PolarHBondContact N-O 2.83Å; M337-M367 HydrophobicContact CB-CG 4.28Å; M337-M367 HydrophobicContact CE-CG 4.12Å; M337-M367 HydrophobicContact CE-SD 3.62Å; M337-M367 WeakPolarHBondContact O-CA 3.27Å; M337-S368 PolarHBondContact O-N 2.82Å
338	S	62.1	Low	51.3	Low	53 Å²	53	59 Å²	59	37%	0.371	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.8	175.7	174	0	0	0	0	109.1	V315 S316 V317 S368	V315-S338 PolarHBondContact O-N 2.97Å; S316-S338 CarbonylContact C-O 3.5Å; S316-S338 VanDerWaalsContact CA-O 3.31Å; S316-S338 WeakPolarHBondContact CA-O 3.26Å; V317-S338 PolarHBondContact N-O 2.96Å; S338-S368 WeakPolarHBondContact CA-O 3.01Å
339	V	59.5	Low	51.8	Low	2 Å²	2	55.3 Å²	55.3	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133	-174.6	178.6	0	0	0	0	109.7	V317 M337 C342 S368 L369 K370	V317-V339 HydrophobicContact CB-CG2 4.25Å; V317-V339 HydrophobicContact CG2-CG2 4.38Å; V317-V339 CarbonylContact O-C 3.54Å; V317-V339 VanDerWaalsContact O-CA 3.29Å; V317-V339 WeakPolarHBondContact O-CA 3.27Å; M337-V339 HydrophobicContact CE-CG2 3.97Å; M337-V339 HydrophobicContact CG-CG2 3.81Å; M337-V339 HydrophobicContact SD-CG2 4.2Å; V339-C342 HydrophobicContact CG1-CB 4.07Å; V339-C342 WeakPolarHBondContact CG1-SG 3.26Å; V339-S368 PolarHBondContact N-O 2.05Å; V339-L369 HydrophobicContact CB-CD2 3.57Å; V339-L369 HydrophobicContact CB-CG 4.2Å; V339-L369 HydrophobicContact CG1-CD2 3.68Å; V339-L369 HydrophobicContact CG2-CD2 4.36Å; V339-L369 VanDerWaalsContact O-CA 3.29Å; V339-L369 WeakPolarHBondContact O-CA 3.3Å; V339-K370 PolarHBondContact O-N 3.26Å; V339-K370 VanDerWaalsContact O-N 3.12Å
340	Q	63.3	Low	51.6	Low	98 Å²	98	51.1 Å²	51.1	46%	0.458	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-29.9	178.5	-55.7	-168.2	-0.5	0	0	114.3	V317 A318 K370 R371	V317-Q340 PolarHBondContact O-N 3.36Å; A318-Q340 CarbonylContact O-C 3.53Å; A318-Q340 VanDerWaalsContact O-CB 3.3Å; A318-Q340 WeakPolarHBondContact O-CB 3.22Å; Q340-K370 HydrophobicContact CB-CD 4.21Å; Q340-K370 HydrophobicContact CG-CD 4.14Å; Q340-K370 WeakPolarHBondContact O-CB 3.2Å; Q340-R371 PolarHBondContact O-N 3.01Å
341	G	53.5	Low	51.5	Low	16 Å²	16	52 Å²	52	17%	0.165	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	116.4	173.6	0	0	0	0	0	110.2	A318 T319 C320 R371	A318-G341 PolarHBondContact O-N 3.07Å; T319-G341 CarbonylContact C-O 3.6Å; T319-G341 WeakPolarHBondContact CA-O 3.42Å; C320-G341 PolarHBondContact N-O 3.47Å; G341-R371 WeakPolarHBondContact CA-O 3.31Å
342	C	59.7	Low	50.6	Low	2 Å²	2	51.4 Å²	51.4	1%	0.014	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	150.7	165.4	-66.1	0	0	0	0	109.9	C320 A323 V339 V345 R371 C372	C320-C342 VanDerWaalsContact CA-SG 3.53Å; C320-C342 HydrophobicContact CB-CB 4.28Å; C320-C342 WeakPolarHBondContact CB-SG 3.27Å; C320-C342 PolarHBondContact N-SG 3.07Å; C320-C342 WeakPolarHBondContact O-CA 3.2Å; C320-C342 WeakPolarHBondContact O-CB 3.45Å; C320-C342 WeakPolarHBondContact SG-CB 3.48Å; C320-C342 CovalentContact SG-SG 2.01Å; C320-C342 PolarHBondContact SG-SG 3.15Å; A323-C342 HydrophobicContact CB-CB 4.48Å; V339-C342 HydrophobicContact CG1-CB 4.07Å; V339-C342 WeakPolarHBondContact CG1-SG 3.26Å; C342-V345 HydrophobicContact CB-CG2 4.33Å; C342-R371 PolarHBondContact N-O 2.81Å; C342-C372 WeakPolarHBondContact O-CA 3.24Å
343	D	59	Low	49.4	Very low	82 Å²	82	58.5 Å²	58.5	44%	0.439	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-51.3	-179.2	-56.5	-15.8	0	0	0	107.8	C320 E321 D373 D374	C320-D343 PolarHBondContact O-N 3.08Å; E321-D343 WeakPolarHBondContact O-CB 3.19Å; E321-D343 PolarHBondContact O-N 3.32Å; D343-D373 WeakPolarHBondContact O-CB 3.5Å; D343-D373 PolarHBondContact O-N 3.16Å; D343-D374 PolarHBondContact O-N 3.09Å
344	D	51.3	Low	48.1	Very low	54 Å²	54	54.4 Å²	54.4	29%	0.289	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.1	179	-71.7	-13.3	0	0	0	113.3	E321 H322 A323	E321-D344 PolarHBondContact O-N 2.02Å; H322-D344 CarbonylContact C-O 3.58Å; H322-D344 WeakPolarHBondContact CA-O 3.3Å; H322-D344 HydrophobicContact CB-CB 4.49Å; H322-D344 IonicContact CD2-OD2 2.85Å; H322-D344 PolarHBondContact CD2-OD2 3.39Å; H322-D344 IonicContact NE2-OD2 2.74Å; H322-D344 PolarHBondContact NE2-OD2 3.08Å; A323-D344 PolarHBondContact N-O 3.04Å
345	V	51.9	Low	46.5	Very low	8 Å²	8	60.6 Å²	60.6	5%	0.048	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	118	170.8	-172	0	0	0	0	110.7	A323 C342 M367 L369 C372 D374 T376	A323-V345 HydrophobicContact CB-CG1 4.35Å; A323-V345 HydrophobicContact CB-CG2 4.31Å; A323-V345 CarbonylContact O-C 3.21Å; A323-V345 WeakPolarHBondContact O-CA 3.2Å; C342-V345 HydrophobicContact CB-CG2 4.33Å; V345-M367 HydrophobicContact CG1-SD 4.38Å; V345-L369 HydrophobicContact CG1-CD1 4.17Å; V345-L369 HydrophobicContact CG2-CD1 4.18Å; V345-L369 HydrophobicContact CG2-CD2 3.6Å; V345-C372 HydrophobicContact CG2-CB 4.21Å; V345-D374 PolarHBondContact N-O 2.8Å; V345-T376 PolarHBondContact O-N 3.11Å
346	T	55.7	Low	44.7	Very low	67 Å²	67	67.6 Å²	67.6	41%	0.411	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.6	177.4	32.6	0	0	0	0	111.4	A323 G324 K325	A323-T346 PolarHBondContact O-N 3.17Å; G324-T346 CarbonylContact C-O 3.58Å; G324-T346 WeakPolarHBondContact CA-O 3.35Å; K325-T346 PolarHBondContact N-O 2.8Å
347	T	53.2	Low	43	Very low	15 Å²	15	69.7 Å²	69.7	9%	0.092	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115	165.6	45.6	0	0	0	0	110.1	K325 M367 T376 E378	K325-T347 HydrophobicContact CB-CG2 3.75Å; T347-M367 HydrophobicContact CG2-CE 3.21Å; T347-M367 HydrophobicContact CG2-SD 3.43Å; T347-M367 WeakPolarHBondContact CG2-SD 3.02Å; T347-T376 PolarHBondContact N-O 2.98Å; T347-T376 VanDerWaalsContact N-O 3.13Å; T347-E378 PolarHBondContact O-N 2.9Å; T347-E378 VanDerWaalsContact O-N 3.13Å
348	Q	48.2	Very low	41	Very low	87 Å²	87	78.1 Å²	78.1	41%	0.407	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.2	173.2	-90.2	-170.4	-8.8	0	0	110.4	K325 E326 M327 E378	K325-Q348 PolarHBondContact O-N 3.49Å; E326-Q348 WeakPolarHBondContact CA-O 3.06Å; M327-Q348 PolarHBondContact N-O 3.13Å; Q348-E378 HydrophobicContact CG-CB 4.26Å; Q348-E378 PolarHBondContact NE2-OE2 2.99Å
349	A	46.7	Very low	39.1	Very low	10 Å²	10	79.6 Å²	79.6	8%	0.083	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	81.6	-179.8	0	0	0	0	0	107.2	M327 K380 F382	M327-A349 HydrophobicContact CE-CB 4.08Å; A349-K380 PolarHBondContact O-N 3.43Å; A349-K380 VanDerWaalsContact O-N 3.1Å; A349-F382 HydrophobicContact CB-CD2 4.03Å; A349-F382 HydrophobicContact CB-CE2 3.11Å; A349-F382 HydrophobicContact CB-CZ 3.63Å
350	G	32.6	Very low	37.5	Very low	18 Å²	18	80.5 Å²	80.5	19%	0.186	44%	0.444	C	S	.	.			trans	-154.8	139.4	-169.5	0	0	0	0	0	113.3	W328	W328-G350 VanDerWaalsContact CH2-O 3.24Å; W328-G350 WeakPolarHBondContact CH2-O 3.33Å; W328-G350 WeakPolarHBondContact CZ3-O 3.2Å
351	L	27.1	Very low	36.1	Very low	105 Å²	105	77 Å²	77	55%	0.55	43%	0.429	S	S	.	.			trans	-99.7	127	-177.4	-140.5	133.4	0	0	0	110.1	L359	L351-L359 HydrophobicContact CD1-CB 4.43Å; L351-L359 HydrophobicContact CD1-CD1 4.4Å
352	L	21.1	Very low	35.4	Very low	136 Å²	136	84.6 Å²	84.6	71%	0.712	45%	0.453	S	S	*	.			trans	-50.4	132.5	166.5	-102	144.1	0	0	0	111.1	W328 C354	W328-L352 HydrophobicContact CH2-CB 4Å; W328-L352 HydrophobicContact CH2-CD1 3.58Å; W328-L352 HydrophobicContact CH2-CG 3.91Å; W328-L352 HydrophobicContact CZ2-CD1 4.38Å; W328-L352 HydrophobicContact CZ3-CB 3.84Å; W328-L352 HydrophobicContact CZ3-CD1 3.96Å; W328-L352 HydrophobicContact CZ3-CG 4.24Å; W328-L352 VanDerWaalsContact CZ3-N 3.25Å; L352-C354 PolarHBondContact O-N 3.48Å; L352-C354 VanDerWaalsContact O-N 3.12Å
353	L	20.5	Very low	34.7	Very low	163 Å²	163	85.7 Å²	85.7	85%	0.853	47%	0.465	S	S	*	.			trans	-60.1	105.8	175.2	-76.8	151.7	0	0	0	111.2
354	C	17.9	Very low	34.4	Very low	124 Å²	124	85.8 Å²	85.8	84%	0.838	47%	0.465	S	S	*	.			trans	-142.4	136	150.9	-89.2	0	0	0	0	108.8	L352	L352-C354 PolarHBondContact O-N 3.48Å; L352-C354 VanDerWaalsContact O-N 3.12Å
355	L	19.3	Very low	34.4	Very low	157 Å²	157	83.6 Å²	83.6	82%	0.822	45%	0.454	S	S	*	.	S	Bend	trans	-46	142.9	-179.8	-93.5	70.4	0	0	0	113.1
356	D	19.3	Very low	34.5	Very low	150 Å²	150	86.3 Å²	86.3	80%	0.802	47%	0.468	S	S	*	.	S	Bend	trans	75.9	39.1	154.7	-58.2	-26.4	0	0	0	122.3
357	V	19.8	Very low	34.6	Very low	110 Å²	110	83.4 Å²	83.4	67%	0.667	45%	0.449	S	S	*	.			trans	-140.3	117.1	155	-164.6	0	0	0	0	112.7	L359	V357-L359 HydrophobicContact CB-CD1 4.44Å; V357-L359 HydrophobicContact CB-CG 4.42Å; V357-L359 HydrophobicContact CG1-CD1 4.15Å; V357-L359 HydrophobicContact CG1-CD2 4.19Å; V357-L359 HydrophobicContact CG1-CG 3.78Å; V357-L359 PolarHBondContact O-N 2.75Å
358	M	20.1	Very low	34.7	Very low	183 Å²	183	85.2 Å²	85.2	90%	0.901	46%	0.463	S	S	*	.			trans	-69.9	104	164.8	-95.3	-168	-88	0	0	109.6
359	L	22.1	Very low	34.9	Very low	85 Å²	85	81.5 Å²	81.5	45%	0.445	45%	0.445	S	S	.	.			trans	-109.3	137.4	172.2	-71.6	161.7	0	0	0	110.8	Y330 L351 V357	Y330-L359 HydrophobicContact CD2-CB 4.39Å; Y330-L359 HydrophobicContact CD2-CD2 3.6Å; Y330-L359 HydrophobicContact CE2-CD2 4.16Å; Y330-L359 HydrophobicContact CG-CD2 4.38Å; L351-L359 HydrophobicContact CD1-CB 4.43Å; L351-L359 HydrophobicContact CD1-CD1 4.4Å; V357-L359 HydrophobicContact CB-CD1 4.44Å; V357-L359 HydrophobicContact CB-CG 4.42Å; V357-L359 HydrophobicContact CG1-CD1 4.15Å; V357-L359 HydrophobicContact CG1-CD2 4.19Å; V357-L359 HydrophobicContact CG1-CG 3.78Å; V357-L359 PolarHBondContact O-N 2.75Å
360	S	26.2	Very low	35.3	Very low	21 Å²	21	85.6 Å²	85.6	15%	0.147	46%	0.461	C	S	.	.			trans	-119.5	114	-168.2	-171.3	0	0	0	0	108.3	Y330 Q383	Y330-S360 VanDerWaalsContact CD2-O 3.25Å; Y330-S360 WeakPolarHBondContact CD2-O 2.97Å; Y330-S360 VanDerWaalsContact CE2-N 3.34Å; Y330-S360 VanDerWaalsContact CE2-O 3.3Å; Y330-S360 WeakPolarHBondContact CE2-O 2.83Å; S360-Q383 VanDerWaalsContact CB-OE1 3.28Å; S360-Q383 VanDerWaalsContact OG-CB 3.3Å; S360-Q383 WeakPolarHBondContact OG-CB 3.45Å; S360-Q383 PolarHBondContact OG-OE1 2.8Å
361	V	32.4	Very low	36.1	Very low	24 Å²	24	91.7 Å²	91.7	15%	0.145	48%	0.479	C	S	.	.			trans	-95.8	119.2	-179.4	-165.5	0	0	0	0	110	F382 Q383	V361-F382 HydrophobicContact CB-CD1 3.64Å; V361-F382 HydrophobicContact CB-CE1 3.41Å; V361-F382 VanDerWaalsContact CB-CE1 3.41Å; V361-F382 HydrophobicContact CB-CG 4.45Å; V361-F382 HydrophobicContact CB-CZ 3.95Å; V361-F382 HydrophobicContact CG1-CD1 3.92Å; V361-F382 HydrophobicContact CG1-CE1 3.2Å; V361-F382 HydrophobicContact CG1-CZ 3.75Å; V361-F382 HydrophobicContact CG2-CD1 4.44Å; V361-F382 HydrophobicContact CG2-CE1 4.09Å; V361-F382 HydrophobicContact CG2-CZ 4.12Å; V361-Q383 CarbonylContact O-C 3.57Å; V361-Q383 VanDerWaalsContact O-C 3.28Å
362	R	38.4	Very low	37.5	Very low	175 Å²	175	86.8 Å²	86.8	66%	0.66	45%	0.453	S	S	*	.			trans	-112.5	117.9	176.3	-94.1	-178.5	171.3	172.3	-1.1	111	N332 N384	N332-R362 CarbonylContact C-O 3.4Å; R362-N384 WeakPolarHBondContact CA-O 3.43Å; R362-N384 HydrophobicContact CG-CB 4.22Å
363	G	46.8	Very low	39.1	Very low	26 Å²	26	83.8 Å²	83.8	27%	0.268	44%	0.438	S	S	.	.			trans	157.8	156.8	172.7	0	0	0	0	0	114.5	N332 N384 G385	N332-G363 WeakPolarHBondContact O-CA 3.09Å; G363-N384 PolarHBondContact N-O 3.08Å; G363-G385 WeakPolarHBondContact O-CA 3.38Å
364	D	51.4	Low	40.6	Very low	84 Å²	84	79.7 Å²	79.7	45%	0.449	42%	0.417	S	S	.	.			trans	-95.6	144.5	177.8	-57.2	-35.7	0	0	0	111.5	G334 D386	G334-D364 VanDerWaalsContact CA-O 3.29Å; G334-D364 WeakPolarHBondContact CA-O 3.13Å; D364-D386 VanDerWaalsContact CA-O 3.27Å; D364-D386 WeakPolarHBondContact CA-O 3.15Å; D364-D386 PolarHBondContact OD1-N 2.77Å
365	V	51.8	Low	42.4	Very low	8 Å²	8	74.1 Å²	74.1	5%	0.048	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.1	171.5	179.4	0	0	0	0	108.1	M327 M367 D386 V387 M388	M327-V365 HydrophobicContact CE-CG2 3.69Å; M327-V365 HydrophobicContact SD-CG2 4.47Å; V365-M367 HydrophobicContact CG1-CG 4.26Å; V365-D386 PolarHBondContact N-O 2.93Å; V365-V387 HydrophobicContact CB-CG1 4.26Å; V365-V387 HydrophobicContact CB-CG2 4.15Å; V365-V387 HydrophobicContact CG2-CG2 4.39Å; V365-M388 PolarHBondContact O-N 2.03Å
366	I	54.8	Low	44.3	Very low	65 Å²	65	68.8 Å²	68.8	33%	0.333	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.5	175.6	-55.3	178.7	0	0	0	108.2	V335 M337 M388	V335-I366 PolarHBondContact O-N 2.85Å; M337-I366 PolarHBondContact N-O 2.83Å; I366-M388 WeakPolarHBondContact CA-O 3.46Å; I366-M388 HydrophobicContact CD1-CE 4.14Å; I366-M388 HydrophobicContact CG1-CE 4.23Å
367	M	56	Low	46.1	Very low	5 Å²	5	62.1 Å²	62.1	3%	0.025	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.5	170.6	-68.7	-173.2	-66.8	0	0	109.5	M337 V345 T347 V365 M388 I389 S390	M337-M367 HydrophobicContact CB-CG 4.28Å; M337-M367 HydrophobicContact CE-CG 4.12Å; M337-M367 HydrophobicContact CE-SD 3.62Å; M337-M367 WeakPolarHBondContact O-CA 3.27Å; V345-M367 HydrophobicContact CG1-SD 4.38Å; T347-M367 HydrophobicContact CG2-CE 3.21Å; T347-M367 HydrophobicContact CG2-SD 3.43Å; T347-M367 WeakPolarHBondContact CG2-SD 3.02Å; V365-M367 HydrophobicContact CG1-CG 4.26Å; M367-M388 PolarHBondContact N-O 3.32Å; M367-I389 HydrophobicContact CB-CG2 4.31Å; M367-I389 HydrophobicContact CE-CD1 3.47Å; M367-I389 VanDerWaalsContact CE-CD1 3.47Å; M367-I389 HydrophobicContact CE-CG1 3.62Å; M367-I389 HydrophobicContact CE-CG2 4.34Å; M367-S390 PolarHBondContact O-N 3.5Å
368	S	55.3	Low	47.6	Very low	54 Å²	54	58.7 Å²	58.7	38%	0.378	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.6	172.3	-77.2	0	0	0	0	109.9	M337 S338 V339 S390	M337-S368 PolarHBondContact O-N 2.82Å; S338-S368 WeakPolarHBondContact CA-O 3.01Å; V339-S368 PolarHBondContact N-O 2.05Å; S368-S390 CarbonylContact C-O 2.99Å; S368-S390 WeakPolarHBondContact CA-O 3.43Å
369	L	54.4	Low	49.1	Very low	8 Å²	8	51 Å²	51	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.3	-175.7	-76.2	137.3	0	0	0	110.7	V339 V345 I389 S390 M391 R392	V339-L369 HydrophobicContact CB-CD2 3.57Å; V339-L369 HydrophobicContact CB-CG 4.2Å; V339-L369 HydrophobicContact CG1-CD2 3.68Å; V339-L369 HydrophobicContact CG2-CD2 4.36Å; V339-L369 VanDerWaalsContact O-CA 3.29Å; V339-L369 WeakPolarHBondContact O-CA 3.3Å; V345-L369 HydrophobicContact CG1-CD1 4.17Å; V345-L369 HydrophobicContact CG2-CD1 4.18Å; V345-L369 HydrophobicContact CG2-CD2 3.6Å; L369-I389 HydrophobicContact CD1-CG2 4.26Å; L369-S390 PolarHBondContact N-O 2.99Å; L369-M391 HydrophobicContact CB-CB 4.37Å; L369-M391 HydrophobicContact CB-CG 4.09Å; L369-M391 HydrophobicContact CD1-CG 4.1Å; L369-M391 HydrophobicContact CD1-SD 4.28Å; L369-M391 CarbonylContact O-C 3.28Å; L369-M391 VanDerWaalsContact O-CA 3.32Å; L369-M391 WeakPolarHBondContact O-CA 2.96Å; L369-R392 PolarHBondContact O-N 3.04Å
370	K	54.2	Low	50.3	Low	96 Å²	96	51 Å²	51	42%	0.417	26%	0.255	S	S	.	.	S	Bend	trans	-89	-35.2	169.9	-72.6	-179.4	-177.5	171.5	0	112.6	V339 Q340 R392 R393	V339-K370 PolarHBondContact O-N 3.26Å; V339-K370 VanDerWaalsContact O-N 3.12Å; Q340-K370 HydrophobicContact CB-CD 4.21Å; Q340-K370 HydrophobicContact CG-CD 4.14Å; Q340-K370 WeakPolarHBondContact O-CB 3.2Å; K370-R392 WeakPolarHBondContact O-CB 3.2Å; K370-R393 PolarHBondContact O-N 2.95Å
371	R	49.2	Very low	51.3	Low	147 Å²	147	57.7 Å²	57.7	56%	0.555	28%	0.277	S	S	*	.			trans	-150.2	137.3	-179.6	-130.3	175.8	175.7	171.1	-5.9	110.1	Q340 G341 C342 R393	Q340-R371 PolarHBondContact O-N 3.01Å; G341-R371 WeakPolarHBondContact CA-O 3.31Å; C342-R371 PolarHBondContact N-O 2.81Å; R371-R393 CarbonylContact C-O 3.53Å; R371-R393 VanDerWaalsContact CA-O 3.23Å; R371-R393 WeakPolarHBondContact CA-O 3.41Å; R371-R393 HydrophobicContact CG-CB 3.92Å
372	C	55.8	Low	51.9	Low	1 Å²	1	57.6 Å²	57.6	1%	0.007	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	159.6	163.7	38.3	0	0	0	0	110.2	C342 V345 R393 C394 D395	C342-C372 WeakPolarHBondContact O-CA 3.24Å; V345-C372 HydrophobicContact CG2-CB 4.21Å; C372-R393 PolarHBondContact N-O 3.12Å; C372-C394 HydrophobicContact CB-CB 4.37Å; C372-C394 WeakPolarHBondContact CB-SG 3.46Å; C372-C394 VanDerWaalsContact O-CA 3.22Å; C372-C394 WeakPolarHBondContact O-CA 3.24Å; C372-C394 WeakPolarHBondContact SG-CB 3.08Å; C372-C394 CovalentContact SG-SG 2.04Å; C372-C394 PolarHBondContact SG-SG 2.92Å; C372-D395 PolarHBondContact O-N 2.89Å
373	D	55.9	Low	52	Low	74 Å²	74	53.4 Å²	53.4	40%	0.396	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-58.1	168	-63.6	-5.7	0	0	0	106.6	D343 D395 D396	D343-D373 WeakPolarHBondContact O-CB 3.5Å; D343-D373 PolarHBondContact O-N 3.16Å; D373-D395 WeakPolarHBondContact O-CA 3.23Å; D373-D395 WeakPolarHBondContact O-CB 3.16Å; D373-D395 PolarHBondContact O-N 2.91Å; D373-D396 PolarHBondContact O-N 2.97Å
374	D	51.3	Low	52.2	Low	77 Å²	77	55.1 Å²	55.1	41%	0.412	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.2	176.1	-68.7	-11.7	0	0	0	113.3	D343 V345	D343-D374 PolarHBondContact O-N 3.09Å; V345-D374 PolarHBondContact N-O 2.8Å
375	G	57	Low	52.2	Low	6 Å²	6	51.6 Å²	51.6	6%	0.062	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	113.1	-179.9	0	0	0	0	0	113.4	D396 I397 S398	G375-D396 PolarHBondContact N-O 3Å; G375-I397 CarbonylContact O-C 3.51Å; G375-I397 VanDerWaalsContact O-CA 3.28Å; G375-I397 WeakPolarHBondContact O-CA 3.49Å; G375-S398 PolarHBondContact O-N 2.84Å
376	T	58.5	Low	52.5	Low	46 Å²	46	53.7 Å²	53.7	28%	0.282	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124	178.8	-62.3	0	0	0	0	112.3	V345 T347 E378 S398	V345-T376 PolarHBondContact O-N 3.11Å; T347-T376 PolarHBondContact N-O 2.98Å; T347-T376 VanDerWaalsContact N-O 3.13Å; T376-E378 HydrophobicContact CG2-CG 3.96Å; T376-S398 VanDerWaalsContact CG2-OG 3.3Å; T376-S398 WeakPolarHBondContact CG2-OG 3.41Å; T376-S398 PolarHBondContact OG1-OG 2.8Å; T376-S398 VanDerWaalsContact OG1-OG 3.11Å
377	A	56.9	Low	52.7	Low	10 Å²	10	51.4 Å²	51.4	8%	0.083	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	97.6	176.7	0	0	0	0	0	110.5	I389 S398 A399 E400	A377-I389 HydrophobicContact CB-CD1 3.49Å; A377-I389 VanDerWaalsContact CB-CD1 3.49Å; A377-S398 PolarHBondContact N-O 2.86Å; A377-A399 WeakPolarHBondContact O-CA 3.16Å; A377-E400 PolarHBondContact O-N 2.8Å
378	E	50.7	Low	53	Low	38 Å²	38	55.3 Å²	55.3	18%	0.178	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125.3	178.5	-77.8	-171.3	173.3	0	0	111.9	T347 Q348 T376 K380 E400	T347-E378 PolarHBondContact O-N 2.9Å; T347-E378 VanDerWaalsContact O-N 3.13Å; Q348-E378 HydrophobicContact CG-CB 4.26Å; Q348-E378 PolarHBondContact NE2-OE2 2.99Å; T376-E378 HydrophobicContact CG2-CG 3.96Å; E378-K380 VanDerWaalsContact OE2-CE 3.23Å; E378-K380 WeakPolarHBondContact OE2-CE 3.37Å; E378-K380 IonicContact OE2-NZ 3.97Å; E378-K380 PolarHBondContact OE2-NZ 3.01Å; E378-E400 HydrophobicContact CG-CB 4.35Å
379	M	51.4	Low	53.4	Low	21 Å²	21	53.2 Å²	53.2	10%	0.103	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	103.4	178.3	-149.1	174.5	-66.9	0	0	110.9	F382 V387 E400 W402 V409	M379-F382 HydrophobicContact CG-CD2 4.31Å; M379-V387 HydrophobicContact CE-CB 3.61Å; M379-V387 HydrophobicContact CE-CG1 4.38Å; M379-V387 HydrophobicContact CE-CG2 3.35Å; M379-V387 HydrophobicContact SD-CG2 4.45Å; M379-E400 PolarHBondContact N-O 2.81Å; M379-W402 PolarHBondContact O-N 3.28Å; M379-V409 HydrophobicContact CE-CB 3.97Å; M379-V409 HydrophobicContact CE-CG1 3.88Å; M379-V409 HydrophobicContact CE-CG2 3.16Å; M379-V409 HydrophobicContact SD-CG2 3.75Å
380	K	48.9	Very low	53.8	Low	84 Å²	84	55.6 Å²	55.6	37%	0.365	27%	0.27	S	S	.	.			trans	-95.6	-24	-171.3	-78.3	175	-180	155.9	0	115.3	A349 E378	A349-K380 PolarHBondContact O-N 3.43Å; A349-K380 VanDerWaalsContact O-N 3.1Å; E378-K380 VanDerWaalsContact OE2-CE 3.23Å; E378-K380 WeakPolarHBondContact OE2-CE 3.37Å; E378-K380 IonicContact OE2-NZ 3.97Å; E378-K380 PolarHBondContact OE2-NZ 3.01Å
381	R	46	Very low	54.4	Low	163 Å²	163	51.5 Å²	51.5	62%	0.615	25%	0.253	S	S	*	.			trans	-178.7	119.2	171.8	-102.8	156.2	-167	-162.6	7.3	113.9
382	F	45.2	Very low	55.1	Low	22 Å²	22	52.6 Å²	52.6	10%	0.096	26%	0.257	C	S	.	.			trans	-134.6	161.3	176.5	-92.1	-105.6	0	0	0	114.4	M327 A349 V361 M379 A407	M327-F382 HydrophobicContact CE-CE1 3.66Å; M327-F382 HydrophobicContact CE-CE2 4.31Å; M327-F382 HydrophobicContact CE-CZ 3.3Å; M327-F382 HydrophobicContact SD-CE1 4.31Å; M327-F382 HydrophobicContact SD-CZ 4.09Å; A349-F382 HydrophobicContact CB-CD2 4.03Å; A349-F382 HydrophobicContact CB-CE2 3.11Å; A349-F382 HydrophobicContact CB-CZ 3.63Å; V361-F382 HydrophobicContact CB-CD1 3.64Å; V361-F382 HydrophobicContact CB-CE1 3.41Å; V361-F382 VanDerWaalsContact CB-CE1 3.41Å; V361-F382 HydrophobicContact CB-CG 4.45Å; V361-F382 HydrophobicContact CB-CZ 3.95Å; V361-F382 HydrophobicContact CG1-CD1 3.92Å; V361-F382 HydrophobicContact CG1-CE1 3.2Å; V361-F382 HydrophobicContact CG1-CZ 3.75Å; V361-F382 HydrophobicContact CG2-CD1 4.44Å; V361-F382 HydrophobicContact CG2-CE1 4.09Å; V361-F382 HydrophobicContact CG2-CZ 4.12Å; M379-F382 HydrophobicContact CG-CD2 4.31Å; F382-A407 HydrophobicContact CB-CB 4.28Å
383	Q	41.6	Very low	55.2	Low	87 Å²	87	59 Å²	59	41%	0.407	28%	0.281	S	S	.	.	S	Bend	trans	-135	94.2	168.7	-81.1	-167.3	-1.7	0	0	111.7	S360 V361	S360-Q383 VanDerWaalsContact CB-OE1 3.28Å; S360-Q383 VanDerWaalsContact OG-CB 3.3Å; S360-Q383 WeakPolarHBondContact OG-CB 3.45Å; S360-Q383 PolarHBondContact OG-OE1 2.8Å; V361-Q383 CarbonylContact O-C 3.57Å; V361-Q383 VanDerWaalsContact O-C 3.28Å
384	N	49.4	Very low	55.6	Low	61 Å²	61	55.4 Å²	55.4	33%	0.326	26%	0.262	S	S	.	.	S	Bend	trans	75.2	86.1	179.3	-48.8	-68.8	0	0	0	116.1	R362 G363 N406	R362-N384 WeakPolarHBondContact CA-O 3.43Å; R362-N384 HydrophobicContact CG-CB 4.22Å; G363-N384 PolarHBondContact N-O 3.08Å; N384-N406 WeakPolarHBondContact CA-O 3.2Å; N384-N406 VanDerWaalsContact OD1-CB 3.28Å; N384-N406 WeakPolarHBondContact OD1-CB 3.25Å; N384-N406 PolarHBondContact OD1-ND2 3.03Å
385	G	52.6	Low	56.3	Low	10 Å²	10	55.1 Å²	55.1	10%	0.103	26%	0.26	C	S	.	.			trans	-177.8	148	169.4	0	0	0	0	0	111	G363 A407	G363-G385 WeakPolarHBondContact O-CA 3.38Å; G385-A407 VanDerWaalsContact O-CA 3.31Å; G385-A407 WeakPolarHBondContact O-CA 3.48Å; G385-A407 WeakPolarHBondContact O-CB 3.28Å
386	D	57.3	Low	56.4	Low	52 Å²	52	58 Å²	58	28%	0.278	28%	0.275	S	S	.	.			trans	-106	140.2	177.3	-68.4	-36.6	0	0	0	110.8	D364 V365 G408 R429	D364-D386 VanDerWaalsContact CA-O 3.27Å; D364-D386 WeakPolarHBondContact CA-O 3.15Å; D364-D386 PolarHBondContact OD1-N 2.77Å; V365-D386 PolarHBondContact N-O 2.93Å; D386-G408 WeakPolarHBondContact CA-O 3.5Å; D386-G408 PolarHBondContact OD1-N 2.94Å; D386-R429 IonicContact OD2-NH1 3.28Å
387	V	59.1	Low	56.6	Low	17 Å²	17	56.1 Å²	56.1	10%	0.103	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.7	171.3	178.4	0	0	0	0	108.2	V365 M379 I389 G408 V409 T410	V365-V387 HydrophobicContact CB-CG1 4.26Å; V365-V387 HydrophobicContact CB-CG2 4.15Å; V365-V387 HydrophobicContact CG2-CG2 4.39Å; M379-V387 HydrophobicContact CE-CB 3.61Å; M379-V387 HydrophobicContact CE-CG1 4.38Å; M379-V387 HydrophobicContact CE-CG2 3.35Å; M379-V387 HydrophobicContact SD-CG2 4.45Å; V387-I389 HydrophobicContact CG1-CD1 4.25Å; V387-I389 HydrophobicContact CG1-CG1 3.92Å; V387-G408 PolarHBondContact N-O 3.09Å; V387-V409 HydrophobicContact CB-CG1 4.44Å; V387-T410 PolarHBondContact O-N 3.24Å
388	M	62.4	Low	56.9	Low	88 Å²	88	57.4 Å²	57.4	43%	0.433	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.4	172.7	-83.7	-170.8	-74.2	0	0	109.8	V365 I366 M367 T410	V365-M388 PolarHBondContact O-N 2.03Å; I366-M388 WeakPolarHBondContact CA-O 3.46Å; I366-M388 HydrophobicContact CD1-CE 4.14Å; I366-M388 HydrophobicContact CG1-CE 4.23Å; M367-M388 PolarHBondContact N-O 3.32Å; M388-T410 WeakPolarHBondContact CA-O 3.14Å
389	I	63.3	Low	57.3	Low	9 Å²	9	55.7 Å²	55.7	5%	0.046	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	119.2	172.5	-46.4	-176.5	0	0	0	107.1	M367 L369 A377 V387 M391 T410 V411 S412	M367-I389 HydrophobicContact CB-CG2 4.31Å; M367-I389 HydrophobicContact CE-CD1 3.47Å; M367-I389 VanDerWaalsContact CE-CD1 3.47Å; M367-I389 HydrophobicContact CE-CG1 3.62Å; M367-I389 HydrophobicContact CE-CG2 4.34Å; L369-I389 HydrophobicContact CD1-CG2 4.26Å; A377-I389 HydrophobicContact CB-CD1 3.49Å; A377-I389 VanDerWaalsContact CB-CD1 3.49Å; V387-I389 HydrophobicContact CG1-CD1 4.25Å; V387-I389 HydrophobicContact CG1-CG1 3.92Å; I389-M391 HydrophobicContact CG2-CE 3.82Å; I389-M391 HydrophobicContact CG2-CG 3.93Å; I389-M391 HydrophobicContact CG2-SD 4.23Å; I389-T410 PolarHBondContact N-O 2.83Å; I389-V411 HydrophobicContact CB-CG2 4.45Å; I389-V411 CarbonylContact O-C 3.36Å; I389-V411 WeakPolarHBondContact O-CA 3.17Å; I389-S412 PolarHBondContact O-N 3.39Å
390	S	63.9	Low	57.7	Low	59 Å²	59	56.9 Å²	56.9	41%	0.413	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.6	174.1	-175.1	0	0	0	0	109.5	M367 S368 L369 S412	M367-S390 PolarHBondContact O-N 3.5Å; S368-S390 CarbonylContact C-O 2.99Å; S368-S390 WeakPolarHBondContact CA-O 3.43Å; L369-S390 PolarHBondContact N-O 2.99Å; S390-S412 CarbonylContact C-O 3.58Å; S390-S412 WeakPolarHBondContact CA-O 3.38Å
391	M	65.7	Low	58	Low	10 Å²	10	53.3 Å²	53.3	5%	0.049	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.7	-177.4	-48.6	-171.6	-113	0	0	109.7	L369 I389 C394 I397 V411 S412 V413 A414	L369-M391 HydrophobicContact CB-CB 4.37Å; L369-M391 HydrophobicContact CB-CG 4.09Å; L369-M391 HydrophobicContact CD1-CG 4.1Å; L369-M391 HydrophobicContact CD1-SD 4.28Å; L369-M391 CarbonylContact O-C 3.28Å; L369-M391 VanDerWaalsContact O-CA 3.32Å; L369-M391 WeakPolarHBondContact O-CA 2.96Å; I389-M391 HydrophobicContact CG2-CE 3.82Å; I389-M391 HydrophobicContact CG2-CG 3.93Å; I389-M391 HydrophobicContact CG2-SD 4.23Å; M391-C394 HydrophobicContact SD-CB 4.06Å; M391-I397 HydrophobicContact CE-CD1 3.91Å; M391-I397 HydrophobicContact CE-CG1 3.8Å; M391-I397 HydrophobicContact CE-CG2 3.96Å; M391-I397 HydrophobicContact SD-CD1 4.35Å; M391-I397 HydrophobicContact SD-CG1 4.29Å; M391-V411 HydrophobicContact CE-CG1 3.61Å; M391-S412 PolarHBondContact N-O 2.85Å; M391-V413 HydrophobicContact CB-CG2 3.92Å; M391-V413 HydrophobicContact CE-CG2 3.64Å; M391-V413 HydrophobicContact CG-CG2 4.18Å; M391-V413 WeakPolarHBondContact O-CA 3.25Å; M391-V413 HydrophobicContact SD-CG2 4.29Å; M391-A414 PolarHBondContact O-N 2.84Å; M391-A414 VanDerWaalsContact O-N 3.13Å
392	R	63.7	Low	58.2	Low	170 Å²	170	51.1 Å²	51.1	64%	0.642	25%	0.246	S	C	*	.	S	Bend	trans	-85.2	-43.8	170.6	-75.4	-174.2	178.1	-171.7	-2.1	112.4	L369 K370 A414 T415	L369-R392 PolarHBondContact O-N 3.04Å; K370-R392 WeakPolarHBondContact O-CB 3.2Å; R392-A414 WeakPolarHBondContact O-CB 3.37Å; R392-T415 PolarHBondContact O-N 2.04Å; R392-T415 VanDerWaalsContact O-N 3.12Å; R392-T415 PolarHBondContact O-OG1 2.85Å
393	R	59.3	Low	58.4	Low	134 Å²	134	57.5 Å²	57.5	51%	0.506	27%	0.269	S	S	.	.			trans	-140	132.2	177.6	-90.8	-178.7	175.6	-178.2	-6.6	109	K370 R371 C372 T415	K370-R393 PolarHBondContact O-N 2.95Å; R371-R393 CarbonylContact C-O 3.53Å; R371-R393 VanDerWaalsContact CA-O 3.23Å; R371-R393 WeakPolarHBondContact CA-O 3.41Å; R371-R393 HydrophobicContact CG-CB 3.92Å; C372-R393 PolarHBondContact N-O 3.12Å; R393-T415 WeakPolarHBondContact CA-O 3.28Å; R393-T415 WeakPolarHBondContact CG-OG1 3.36Å
394	C	62.5	Low	58.7	Low	0 Å²	0	62.5 Å²	62.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	144	166.1	-144	0	0	0	0	107	C372 M391 I397 T415 C416	C372-C394 HydrophobicContact CB-CB 4.37Å; C372-C394 WeakPolarHBondContact CB-SG 3.46Å; C372-C394 VanDerWaalsContact O-CA 3.22Å; C372-C394 WeakPolarHBondContact O-CA 3.24Å; C372-C394 WeakPolarHBondContact SG-CB 3.08Å; C372-C394 CovalentContact SG-SG 2.04Å; C372-C394 PolarHBondContact SG-SG 2.92Å; M391-C394 HydrophobicContact SD-CB 4.06Å; C394-I397 HydrophobicContact CB-CD1 3.56Å; C394-I397 HydrophobicContact CB-CG1 3.64Å; C394-T415 PolarHBondContact N-O 3.2Å; C394-C416 WeakPolarHBondContact O-CA 2.99Å; C394-C416 WeakPolarHBondContact O-CB 3.23Å
395	D	67.3	Low	58.5	Low	70 Å²	70	64.7 Å²	64.7	37%	0.374	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-54	179.4	-64.2	-16.6	0	0	0	109.1	C372 D373 E417 Y418	C372-D395 PolarHBondContact O-N 2.89Å; D373-D395 WeakPolarHBondContact O-CA 3.23Å; D373-D395 WeakPolarHBondContact O-CB 3.16Å; D373-D395 PolarHBondContact O-N 2.91Å; D395-E417 WeakPolarHBondContact O-CA 3.38Å; D395-E417 WeakPolarHBondContact O-CB 3.2Å; D395-E417 PolarHBondContact O-N 3.11Å; D395-Y418 PolarHBondContact O-N 2.87Å
396	D	59.2	Low	58.4	Low	68 Å²	68	68.5 Å²	68.5	36%	0.364	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.3	177.4	-70.1	-11.8	0	0	0	113	D373 G375 Y418	D373-D396 PolarHBondContact O-N 2.97Å; G375-D396 PolarHBondContact N-O 3Å; D396-Y418 VanDerWaalsContact OD1-CB 3.22Å; D396-Y418 WeakPolarHBondContact OD1-CB 3.35Å
397	I	61.3	Low	58.2	Low	5 Å²	5	66.5 Å²	66.5	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130	177.6	-65	149.3	0	0	0	112	G375 M391 C394 V411 V413 C416 Y418 V419 G420 M433	G375-I397 CarbonylContact O-C 3.51Å; G375-I397 VanDerWaalsContact O-CA 3.28Å; G375-I397 WeakPolarHBondContact O-CA 3.49Å; M391-I397 HydrophobicContact CE-CD1 3.91Å; M391-I397 HydrophobicContact CE-CG1 3.8Å; M391-I397 HydrophobicContact CE-CG2 3.96Å; M391-I397 HydrophobicContact SD-CD1 4.35Å; M391-I397 HydrophobicContact SD-CG1 4.29Å; C394-I397 HydrophobicContact CB-CD1 3.56Å; C394-I397 HydrophobicContact CB-CG1 3.64Å; I397-V411 HydrophobicContact CG2-CG1 4.43Å; I397-V413 HydrophobicContact CD1-CB 3.98Å; I397-V413 HydrophobicContact CD1-CG1 3.61Å; I397-V413 HydrophobicContact CD1-CG2 3.32Å; I397-V413 HydrophobicContact CG1-CG2 4.5Å; I397-C416 HydrophobicContact CD1-CB 4.11Å; I397-Y418 PolarHBondContact N-O 2.9Å; I397-V419 HydrophobicContact CB-CG2 3.94Å; I397-V419 HydrophobicContact CD1-CG2 3.99Å; I397-V419 HydrophobicContact CG2-CG2 4.45Å; I397-G420 PolarHBondContact O-N 2.98Å; I397-M433 HydrophobicContact CG2-CE 4.21Å
398	S	63.3	Low	58.2	Low	37 Å²	37	66 Å²	66	26%	0.259	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.7	169.4	74.9	0	0	0	0	111.9	G375 T376 A377 G420	G375-S398 PolarHBondContact O-N 2.84Å; T376-S398 VanDerWaalsContact CG2-OG 3.3Å; T376-S398 WeakPolarHBondContact CG2-OG 3.41Å; T376-S398 PolarHBondContact OG1-OG 2.8Å; T376-S398 VanDerWaalsContact OG1-OG 3.11Å; A377-S398 PolarHBondContact N-O 2.86Å; S398-G420 WeakPolarHBondContact CA-O 3.04Å
399	A	59.4	Low	58.1	Low	2 Å²	2	62.1 Å²	62.1	2%	0.017	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	119.8	174.8	0	0	0	0	0	111.1	A377 V411 G420 E422 V431 M433	A377-A399 WeakPolarHBondContact O-CA 3.16Å; A399-V411 HydrophobicContact CB-CG2 4.38Å; A399-G420 PolarHBondContact N-O 3.31Å; A399-E422 PolarHBondContact O-N 2.97Å; A399-V431 HydrophobicContact CB-CG1 4.37Å; A399-M433 HydrophobicContact CB-SD 4.37Å
400	E	60	Low	58.3	Low	46 Å²	46	63.9 Å²	63.9	22%	0.215	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	141.5	179.8	-62.9	-165.5	-174.5	0	0	112.3	A377 E378 M379 W402 E422	A377-E400 PolarHBondContact O-N 2.8Å; E378-E400 HydrophobicContact CG-CB 4.35Å; M379-E400 PolarHBondContact N-O 2.81Å; E400-W402 PolarHBondContact OE2-NE1 3.24Å; E400-E422 HydrophobicContact CG-CB 4.35Å
401	S	56	Low	58.3	Low	9 Å²	9	61.1 Å²	61.1	6%	0.063	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	125.1	178.3	141.5	0	0	0	0	111.9	N428	S401-N428 PolarHBondContact OG-ND2 2.97Å
402	W	50	Low	58.4	Low	117 Å²	117	62.7 Å²	62.7	44%	0.443	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.2	-178.6	-66.8	72.3	0	0	0	112.2	M379 E400 W424	M379-W402 PolarHBondContact O-N 3.28Å; E400-W402 PolarHBondContact OE2-NE1 3.24Å; W402-W424 HydrophobicContact CZ2-CG 4.35Å
403	R	49.4	Very low	58.6	Low	156 Å²	156	54.8 Å²	54.8	59%	0.589	26%	0.256	S	S	*	.	S	Bend	trans	44.8	118.5	166.8	-80.4	-171.7	179.2	-171.2	2.5	121.6
404	R	48.5	Very low	59.2	Low	193 Å²	193	50.5 Å²	50.5	73%	0.728	25%	0.249	S	C	*	.			trans	96.2	158.7	147.7	-79.8	-161.3	-177.6	-173.7	4.4	120.6	N428	R404-N428 PolarHBondContact N-OD1 2.97Å; R404-N428 PolarHBondContact O-OD1 3.11Å
405	Q	45.4	Very low	59.5	Low	107 Å²	107	52.7 Å²	52.7	50%	0.5	26%	0.262	S	S	.	.	S	Bend	trans	-58	140.1	-147.3	-66.3	174.7	-36.1	0	0	118.9
406	N	49.7	Very low	59.6	Low	89 Å²	89	49.9 Å²	49.9	48%	0.476	25%	0.248	S	C	.	.	S	Bend	trans	70.7	40.9	168.1	-60.7	-19.1	0	0	0	117.4	N384	N384-N406 WeakPolarHBondContact CA-O 3.2Å; N384-N406 VanDerWaalsContact OD1-CB 3.28Å; N384-N406 WeakPolarHBondContact OD1-CB 3.25Å; N384-N406 PolarHBondContact OD1-ND2 3.03Å
407	A	53	Low	60.2	Low	10 Å²	10	52.1 Å²	52.1	8%	0.083	26%	0.256	C	S	.	.			trans	-132.8	137.2	166.9	0	0	0	0	0	109.7	F382 G385	F382-A407 HydrophobicContact CB-CB 4.28Å; G385-A407 VanDerWaalsContact O-CA 3.31Å; G385-A407 WeakPolarHBondContact O-CA 3.48Å; G385-A407 WeakPolarHBondContact O-CB 3.28Å
408	G	58.5	Low	60.6	Low	7 Å²	7	56.7 Å²	56.7	7%	0.072	27%	0.274	C	S	.	.			trans	-117.1	143.9	173.6	0	0	0	0	0	111.4	D386 V387	D386-G408 WeakPolarHBondContact CA-O 3.5Å; D386-G408 PolarHBondContact OD1-N 2.94Å; V387-G408 PolarHBondContact N-O 3.09Å
409	V	61.8	Low	60.6	Low	6 Å²	6	55 Å²	55	4%	0.036	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123	170.3	-160.3	0	0	0	0	106.8	M379 V387 V411 G430 V431 T432	M379-V409 HydrophobicContact CE-CB 3.97Å; M379-V409 HydrophobicContact CE-CG1 3.88Å; M379-V409 HydrophobicContact CE-CG2 3.16Å; M379-V409 HydrophobicContact SD-CG2 3.75Å; V387-V409 HydrophobicContact CB-CG1 4.44Å; V409-V411 HydrophobicContact CG1-CG2 4.12Å; V409-G430 PolarHBondContact N-O 2.9Å; V409-V431 HydrophobicContact CB-CB 4.46Å; V409-V431 HydrophobicContact CB-CG1 4.27Å; V409-V431 HydrophobicContact CB-CG2 4.12Å; V409-V431 HydrophobicContact CG2-CG2 3.9Å; V409-V431 CarbonylContact O-C 3.53Å; V409-V431 WeakPolarHBondContact O-CA 3.44Å; V409-T432 PolarHBondContact O-N 2.86Å
410	T	65.7	Low	60.8	Low	47 Å²	47	55.5 Å²	55.5	29%	0.288	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	114.2	172.4	-53.3	0	0	0	0	108.5	V387 M388 I389 T432	V387-T410 PolarHBondContact O-N 3.24Å; M388-T410 WeakPolarHBondContact CA-O 3.14Å; I389-T410 PolarHBondContact N-O 2.83Å; T410-T432 CarbonylContact C-O 3.51Å; T410-T432 VanDerWaalsContact CA-O 3.29Å; T410-T432 WeakPolarHBondContact CA-O 3.06Å
411	V	64.5	Low	61.1	Low	1 Å²	1	54.9 Å²	54.9	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.5	173.8	-175.8	0	0	0	0	107.7	I389 M391 I397 A399 V409 V413 T432 M433 S434	I389-V411 HydrophobicContact CB-CG2 4.45Å; I389-V411 CarbonylContact O-C 3.36Å; I389-V411 WeakPolarHBondContact O-CA 3.17Å; M391-V411 HydrophobicContact CE-CG1 3.61Å; I397-V411 HydrophobicContact CG2-CG1 4.43Å; A399-V411 HydrophobicContact CB-CG2 4.38Å; V409-V411 HydrophobicContact CG1-CG2 4.12Å; V411-V413 HydrophobicContact CG1-CG2 3.89Å; V411-T432 PolarHBondContact N-O 2.02Å; V411-M433 HydrophobicContact CB-CE 4.44Å; V411-M433 HydrophobicContact CB-CG 4.22Å; V411-M433 HydrophobicContact CG1-CE 4.32Å; V411-M433 CarbonylContact O-C 3.54Å; V411-M433 VanDerWaalsContact O-CA 3.31Å; V411-M433 WeakPolarHBondContact O-CA 3.1Å; V411-S434 PolarHBondContact O-N 3.43Å
412	S	68.9	Low	61.1	Low	42 Å²	42	57.2 Å²	57.2	29%	0.294	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	116.8	177.8	-62.4	0	0	0	0	109.7	I389 S390 M391 S434	I389-S412 PolarHBondContact O-N 3.39Å; S390-S412 CarbonylContact C-O 3.58Å; S390-S412 WeakPolarHBondContact CA-O 3.38Å; M391-S412 PolarHBondContact N-O 2.85Å; S412-S434 CarbonylContact C-O 3.58Å; S412-S434 VanDerWaalsContact CA-O 3.27Å; S412-S434 WeakPolarHBondContact CA-O 3.12Å
413	V	66.1	Low	61.1	Low	5 Å²	5	54.1 Å²	54.1	3%	0.03	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	128.7	-174.4	174.7	0	0	0	0	109.6	M391 I397 V411 T415 C416 S434 V435 Q436	M391-V413 HydrophobicContact CB-CG2 3.92Å; M391-V413 HydrophobicContact CE-CG2 3.64Å; M391-V413 HydrophobicContact CG-CG2 4.18Å; M391-V413 WeakPolarHBondContact O-CA 3.25Å; M391-V413 HydrophobicContact SD-CG2 4.29Å; I397-V413 HydrophobicContact CD1-CB 3.98Å; I397-V413 HydrophobicContact CD1-CG1 3.61Å; I397-V413 HydrophobicContact CD1-CG2 3.32Å; I397-V413 HydrophobicContact CG1-CG2 4.5Å; V411-V413 HydrophobicContact CG1-CG2 3.89Å; V413-T415 WeakPolarHBondContact CG1-O 3.38Å; V413-C416 HydrophobicContact CG1-CB 4.01Å; V413-S434 PolarHBondContact N-O 2.86Å; V413-V435 CarbonylContact O-C 3.57Å; V413-V435 WeakPolarHBondContact O-CA 3.41Å; V413-Q436 PolarHBondContact O-N 3.41Å
414	A	72.8	Confident	61	Low	44 Å²	44	52.9 Å²	52.9	36%	0.364	26%	0.26	S	S	.	.	S	Bend	trans	-90.1	-24.4	-176.1	0	0	0	0	0	115	M391 R392 Q436	M391-A414 PolarHBondContact O-N 2.84Å; M391-A414 VanDerWaalsContact O-N 3.13Å; R392-A414 WeakPolarHBondContact O-CB 3.37Å; A414-Q436 CarbonylContact C-O 3.56Å; A414-Q436 CarbonylContact O-C 3.3Å; A414-Q436 VanDerWaalsContact O-C 3.22Å
415	T	69.9	Low	60.9	Low	46 Å²	46	50.8 Å²	50.8	28%	0.282	26%	0.258	S	S	.	.	S	Bend	trans	-157.4	140.4	174.2	37.3	0	0	0	0	110.1	R392 R393 C394 V413 Q436 G437	R392-T415 PolarHBondContact O-N 2.04Å; R392-T415 VanDerWaalsContact O-N 3.12Å; R392-T415 PolarHBondContact O-OG1 2.85Å; R393-T415 WeakPolarHBondContact CA-O 3.28Å; R393-T415 WeakPolarHBondContact CG-OG1 3.36Å; C394-T415 PolarHBondContact N-O 3.2Å; V413-T415 WeakPolarHBondContact CG1-O 3.38Å; T415-Q436 VanDerWaalsContact CA-O 3.31Å; T415-Q436 WeakPolarHBondContact CA-O 3.38Å; T415-Q436 PolarHBondContact N-O 2.9Å; T415-G437 WeakPolarHBondContact CA-O 3.26Å
416	C	69.1	Low	60.5	Low	10 Å²	10	56.2 Å²	56.2	7%	0.068	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	166	175.4	67.5	0	0	0	0	114.2	C394 I397 V413 V419 G437 C438 D439	C394-C416 WeakPolarHBondContact O-CA 2.99Å; C394-C416 WeakPolarHBondContact O-CB 3.23Å; I397-C416 HydrophobicContact CD1-CB 4.11Å; V413-C416 HydrophobicContact CG1-CB 4.01Å; C416-V419 WeakPolarHBondContact SG-CG2 3.22Å; C416-G437 PolarHBondContact N-O 3.15Å; C416-C438 VanDerWaalsContact CA-SG 3.5Å; C416-C438 HydrophobicContact CB-CB 4.2Å; C416-C438 WeakPolarHBondContact CB-SG 3.3Å; C416-C438 PolarHBondContact N-SG 2.84Å; C416-C438 WeakPolarHBondContact O-CA 3.33Å; C416-C438 WeakPolarHBondContact SG-CB 3.43Å; C416-C438 CovalentContact SG-SG 2.01Å; C416-C438 PolarHBondContact SG-SG 2.93Å; C416-D439 PolarHBondContact O-N 2.91Å
417	E	71.8	Confident	60.5	Low	115 Å²	115	61.1 Å²	61.1	54%	0.537	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-52.8	169.4	-72.7	-165.6	162	0	0	109.7	D395 D439 D440	D395-E417 WeakPolarHBondContact O-CA 3.38Å; D395-E417 WeakPolarHBondContact O-CB 3.2Å; D395-E417 PolarHBondContact O-N 3.11Å; E417-D439 PolarHBondContact O-N 2.93Å; E417-D440 PolarHBondContact O-N 2.94Å
418	Y	68	Low	60.4	Low	101 Å²	101	63 Å²	63	40%	0.396	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.9	-177.2	-176.1	-98.5	0	0	0	113.7	D395 D396 I397 D440 A442	D395-Y418 PolarHBondContact O-N 2.87Å; D396-Y418 VanDerWaalsContact OD1-CB 3.22Å; D396-Y418 WeakPolarHBondContact OD1-CB 3.35Å; I397-Y418 PolarHBondContact N-O 2.9Å; Y418-D440 CarbonylContact C-O 3.5Å; Y418-D440 WeakPolarHBondContact CA-O 3.45Å; Y418-D440 HydrophobicContact CD2-CB 3.79Å; Y418-A442 HydrophobicContact CE2-CB 4.12Å; Y418-A442 WeakPolarHBondContact OH-CB 3.21Å
419	V	64.9	Low	60.2	Low	2 Å²	2	71.1 Å²	71.1	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.3	169	152.8	0	0	0	0	110.8	I397 C416 M433 V435 D440 V441 A442	I397-V419 HydrophobicContact CB-CG2 3.94Å; I397-V419 HydrophobicContact CD1-CG2 3.99Å; I397-V419 HydrophobicContact CG2-CG2 4.45Å; C416-V419 WeakPolarHBondContact SG-CG2 3.22Å; V419-M433 HydrophobicContact CB-CE 4.37Å; V419-M433 HydrophobicContact CG1-CE 3.35Å; V419-M433 HydrophobicContact CG1-SD 4.06Å; V419-M433 HydrophobicContact CG2-CE 4.03Å; V419-V435 HydrophobicContact CG1-CG2 4.36Å; V419-V435 HydrophobicContact CG2-CG1 4.15Å; V419-V435 HydrophobicContact CG2-CG2 4.4Å; V419-D440 PolarHBondContact N-O 2.84Å; V419-V441 HydrophobicContact CG1-CG1 4.26Å; V419-A442 PolarHBondContact O-N 3.27Å
420	G	63.1	Low	60.1	Low	12 Å²	12	72 Å²	72	12%	0.124	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.6	170.5	0	0	0	0	0	112.4	I397 S398 A399 A442	I397-G420 PolarHBondContact O-N 2.98Å; S398-G420 WeakPolarHBondContact CA-O 3.04Å; A399-G420 PolarHBondContact N-O 3.31Å; G420-A442 CarbonylContact C-O 3.55Å; G420-A442 WeakPolarHBondContact CA-O 3.26Å
421	K	65.4	Low	59.9	Low	34 Å²	34	70.1 Å²	70.1	15%	0.148	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.9	172	-174.4	-171.2	-171.2	179.9	0	110.3	M423 V431 M433 A442 T443 Q444	K421-M423 HydrophobicContact CD-CE 4.44Å; K421-V431 WeakPolarHBondContact CE-O 3.4Å; K421-V431 PolarHBondContact NZ-O 3.37Å; K421-M433 HydrophobicContact CB-SD 3.98Å; K421-M433 HydrophobicContact CD-SD 4.34Å; K421-M433 HydrophobicContact CG-SD 4.18Å; K421-A442 PolarHBondContact N-O 2.89Å; K421-T443 HydrophobicContact CB-CG2 4.07Å; K421-T443 HydrophobicContact CD-CG2 4.17Å; K421-Q444 PolarHBondContact O-N 3.28Å
422	E	56.9	Low	59.9	Low	58 Å²	58	74 Å²	74	27%	0.271	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.2	167.4	-63.2	-157.8	169.8	0	0	111.2	A399 E400 W424 Q444	A399-E422 PolarHBondContact O-N 2.97Å; E400-E422 HydrophobicContact CG-CB 4.35Å; E422-W424 PolarHBondContact OE2-NE1 3.08Å; E422-Q444 HydrophobicContact CG-CB 4.42Å
423	M	51	Low	59.7	Low	51 Å²	51	73.9 Å²	73.9	25%	0.251	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.1	173.4	-83.5	-170.2	-59.8	0	0	110.6	K421 V431 Q444	K421-M423 HydrophobicContact CD-CE 4.44Å; M423-V431 HydrophobicContact CG-CB 4.37Å; M423-V431 HydrophobicContact CG-CG2 4.05Å; M423-V431 HydrophobicContact SD-CB 4.12Å; M423-V431 HydrophobicContact SD-CG2 4.26Å; M423-Q444 PolarHBondContact N-O 3.43Å
424	W	45.8	Very low	60	Low	131 Å²	131	76.7 Å²	76.7	50%	0.496	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	106.6	177.5	-62.7	89.7	0	0	0	111.2	W402 E422	W402-W424 HydrophobicContact CZ2-CG 4.35Å; E422-W424 PolarHBondContact OE2-NE1 3.08Å
425	E	46.2	Very low	59.7	Low	148 Å²	148	76.8 Å²	76.8	69%	0.692	36%	0.358	S	S	*	.	S	Bend	trans	67.1	162.4	160.8	-124.4	-174	-174.8	0	0	123
426	Y	38.8	Very low	59.7	Low	221 Å²	221	80.9 Å²	80.9	87%	0.867	37%	0.374	S	S	*	.	S	Bend	trans	-58.6	126.8	-158.3	-91.8	-111.2	0	0	0	117.8
427	R	47.7	Very low	59.9	Low	192 Å²	192	83.2 Å²	83.2	73%	0.725	40%	0.4	S	S	*	.			trans	97.4	44.2	169	-57.3	-176.6	171.9	173.9	-1	118.3
428	N	50.9	Low	59.9	Low	51 Å²	51	79 Å²	79	27%	0.273	38%	0.383	S	S	.	.			trans	-102.1	160.8	161.8	-72.8	-7.7	0	0	0	111.1	S401 R404 G430	S401-N428 PolarHBondContact OG-ND2 2.97Å; R404-N428 PolarHBondContact N-OD1 2.97Å; R404-N428 PolarHBondContact O-OD1 3.11Å; N428-G430 PolarHBondContact O-N 2.92Å
429	R	55.3	Low	60.4	Low	177 Å²	177	80.3 Å²	80.3	67%	0.668	40%	0.397	S	S	*	.			trans	-65.5	-7.7	166.1	-94.2	-175.8	174	172.2	-3.2	112.2	D386	D386-R429 IonicContact OD2-NH1 3.28Å
430	G	59.8	Low	60.7	Low	24 Å²	24	85.2 Å²	85.2	25%	0.247	42%	0.423	C	S	.	.			trans	94.8	160.3	179.2	0	0	0	0	0	112.1	V409 N428	V409-G430 PolarHBondContact N-O 2.9Å; N428-G430 PolarHBondContact O-N 2.92Å
431	V	61.2	Low	60.8	Low	8 Å²	8	89 Å²	89	5%	0.048	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	117.6	163.9	175.3	0	0	0	0	106.8	A399 V409 K421 M423 M433	A399-V431 HydrophobicContact CB-CG1 4.37Å; V409-V431 HydrophobicContact CB-CB 4.46Å; V409-V431 HydrophobicContact CB-CG1 4.27Å; V409-V431 HydrophobicContact CB-CG2 4.12Å; V409-V431 HydrophobicContact CG2-CG2 3.9Å; V409-V431 CarbonylContact O-C 3.53Å; V409-V431 WeakPolarHBondContact O-CA 3.44Å; K421-V431 WeakPolarHBondContact CE-O 3.4Å; K421-V431 PolarHBondContact NZ-O 3.37Å; M423-V431 HydrophobicContact CG-CB 4.37Å; M423-V431 HydrophobicContact CG-CG2 4.05Å; M423-V431 HydrophobicContact SD-CB 4.12Å; M423-V431 HydrophobicContact SD-CG2 4.26Å; V431-M433 HydrophobicContact CG1-CG 4Å
432	T	65.4	Low	60.9	Low	81 Å²	81	89.1 Å²	89.1	50%	0.497	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	114	172.5	-53.4	0	0	0	0	108	V409 T410 V411	V409-T432 PolarHBondContact O-N 2.86Å; T410-T432 CarbonylContact C-O 3.51Å; T410-T432 VanDerWaalsContact CA-O 3.29Å; T410-T432 WeakPolarHBondContact CA-O 3.06Å; V411-T432 PolarHBondContact N-O 2.02Å
433	M	64.8	Low	61.1	Low	40 Å²	40	90.9 Å²	90.9	20%	0.197	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.6	170.4	-68.5	-170.1	72.4	0	0	109	I397 A399 V411 V419 K421 V431 V435	I397-M433 HydrophobicContact CG2-CE 4.21Å; A399-M433 HydrophobicContact CB-SD 4.37Å; V411-M433 HydrophobicContact CB-CE 4.44Å; V411-M433 HydrophobicContact CB-CG 4.22Å; V411-M433 HydrophobicContact CG1-CE 4.32Å; V411-M433 CarbonylContact O-C 3.54Å; V411-M433 VanDerWaalsContact O-CA 3.31Å; V411-M433 WeakPolarHBondContact O-CA 3.1Å; V419-M433 HydrophobicContact CB-CE 4.37Å; V419-M433 HydrophobicContact CG1-CE 3.35Å; V419-M433 HydrophobicContact CG1-SD 4.06Å; V419-M433 HydrophobicContact CG2-CE 4.03Å; K421-M433 HydrophobicContact CB-SD 3.98Å; K421-M433 HydrophobicContact CD-SD 4.34Å; K421-M433 HydrophobicContact CG-SD 4.18Å; V431-M433 HydrophobicContact CG1-CG 4Å; M433-V435 HydrophobicContact CB-CG2 4.05Å; M433-V435 HydrophobicContact CE-CG2 4.03Å
434	S	71	Confident	61.3	Low	64 Å²	64	94.6 Å²	94.6	45%	0.448	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	110.1	167.4	-171.6	0	0	0	0	107.6	V411 S412 V413	V411-S434 PolarHBondContact O-N 3.43Å; S412-S434 CarbonylContact C-O 3.58Å; S412-S434 VanDerWaalsContact CA-O 3.27Å; S412-S434 WeakPolarHBondContact CA-O 3.12Å; V413-S434 PolarHBondContact N-O 2.86Å
435	V	67.2	Low	61.3	Low	46 Å²	46	96.1 Å²	96.1	28%	0.279	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.8	-173.2	-167.4	0	0	0	0	108.3	V413 V419 M433 C438	V413-V435 CarbonylContact O-C 3.57Å; V413-V435 WeakPolarHBondContact O-CA 3.41Å; V419-V435 HydrophobicContact CG1-CG2 4.36Å; V419-V435 HydrophobicContact CG2-CG1 4.15Å; V419-V435 HydrophobicContact CG2-CG2 4.4Å; M433-V435 HydrophobicContact CB-CG2 4.05Å; M433-V435 HydrophobicContact CE-CG2 4.03Å; V435-C438 HydrophobicContact CG1-CB 3.89Å; V435-C438 WeakPolarHBondContact CG1-SG 3.5Å
436	Q	70.6	Confident	62.1	Low	133 Å²	133	93.5 Å²	93.5	62%	0.621	50%	0.496	S	S	*	.			trans	-127.4	147.9	172.5	-66.4	-175.1	-17.9	0	0	109	V413 A414 T415 C438	V413-Q436 PolarHBondContact O-N 3.41Å; A414-Q436 CarbonylContact C-O 3.56Å; A414-Q436 CarbonylContact O-C 3.3Å; A414-Q436 VanDerWaalsContact O-C 3.22Å; T415-Q436 VanDerWaalsContact CA-O 3.31Å; T415-Q436 WeakPolarHBondContact CA-O 3.38Å; T415-Q436 PolarHBondContact N-O 2.9Å; Q436-C438 PolarHBondContact O-N 3.42Å
437	G	71.7	Confident	63.3	Low	58 Å²	58	86.8 Å²	86.8	60%	0.598	48%	0.477	S	S	*	.	S	Bend	trans	54.8	44.4	171.6	0	0	0	0	0	114.8	T415 C416	T415-G437 WeakPolarHBondContact CA-O 3.26Å; C416-G437 PolarHBondContact N-O 3.15Å
438	C	72.9	Confident	64.1	Low	27 Å²	27	80.9 Å²	80.9	18%	0.182	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	145	172.1	-59.4	0	0	0	0	112.5	C416 V435 Q436 V441	C416-C438 VanDerWaalsContact CA-SG 3.5Å; C416-C438 HydrophobicContact CB-CB 4.2Å; C416-C438 WeakPolarHBondContact CB-SG 3.3Å; C416-C438 PolarHBondContact N-SG 2.84Å; C416-C438 WeakPolarHBondContact O-CA 3.33Å; C416-C438 WeakPolarHBondContact SG-CB 3.43Å; C416-C438 CovalentContact SG-SG 2.01Å; C416-C438 PolarHBondContact SG-SG 2.93Å; V435-C438 HydrophobicContact CG1-CB 3.89Å; V435-C438 WeakPolarHBondContact CG1-SG 3.5Å; Q436-C438 PolarHBondContact O-N 3.42Å; C438-V441 HydrophobicContact CB-CG2 4.47Å
439	D	77.2	Confident	64.9	Low	129 Å²	129	82.7 Å²	82.7	69%	0.69	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	-45.7	-175.2	-66.9	-27.6	0	0	0	110.9	C416 E417	C416-D439 PolarHBondContact O-N 2.91Å; E417-D439 PolarHBondContact O-N 2.93Å
440	D	71.7	Confident	65.5	Low	104 Å²	104	76.8 Å²	76.8	56%	0.556	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.8	-179.2	-75.1	-37.8	0	0	0	113.1	E417 Y418 V419	E417-D440 PolarHBondContact O-N 2.94Å; Y418-D440 CarbonylContact C-O 3.5Å; Y418-D440 WeakPolarHBondContact CA-O 3.45Å; Y418-D440 HydrophobicContact CD2-CB 3.79Å; V419-D440 PolarHBondContact N-O 2.84Å
441	V	66.4	Low	65.9	Low	93 Å²	93	80.3 Å²	80.3	56%	0.564	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	113.1	178	-176.8	0	0	0	0	110.1	V419 C438	V419-V441 HydrophobicContact CG1-CG1 4.26Å; C438-V441 HydrophobicContact CB-CG2 4.47Å
442	A	67.5	Low	66.3	Low	35 Å²	35	85.5 Å²	85.5	29%	0.289	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.8	175.5	0	0	0	0	0	111.1	Y418 V419 G420 K421	Y418-A442 HydrophobicContact CE2-CB 4.12Å; Y418-A442 WeakPolarHBondContact OH-CB 3.21Å; V419-A442 PolarHBondContact O-N 3.27Å; G420-A442 CarbonylContact C-O 3.55Å; G420-A442 WeakPolarHBondContact CA-O 3.26Å; K421-A442 PolarHBondContact N-O 2.89Å
443	T	59.7	Low	66.3	Low	95 Å²	95	85.8 Å²	85.8	58%	0.583	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.3	174	38.4	0	0	0	0	109.9	K421	K421-T443 HydrophobicContact CB-CG2 4.07Å; K421-T443 HydrophobicContact CD-CG2 4.17Å
444	Q	55.2	Low	66.4	Low	129 Å²	129	89.7 Å²	89.7	60%	0.603	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.8	163.9	-66.3	-169.3	21	0	0	109	K421 E422 M423	K421-Q444 PolarHBondContact O-N 3.28Å; E422-Q444 HydrophobicContact CG-CB 4.42Å; M423-Q444 PolarHBondContact N-O 3.43Å
445	V	46.3	Very low	66	Low	163 Å²	163	92 Å²	92	99%	0.988	54%	0.541	S	S	*	.			trans	-113.6	0	-175.1	-178.8	0	0	0	0	110.3

Retrieved 445 of 445 residues in 388.7 ms (Link to these results)

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