A0A077Z1G1_TRITR Loading...

4HBT 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1G1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 299 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	32	Very low	53.2	Low	225 Å²	225	120.3 Å²	120.3	100%	1.108	59%	0.589	S	S	*	*				0	101.4	0	-147.4	179.2	-78.6	0	0	107.2	K3	M1-K3 PolarHBondContact O-N 3.23Å; M1-K3 VanDerWaalsContact O-N 3.07Å
2	N	30.1	Very low	55.6	Low	157 Å²	157	111.4 Å²	111.4	84%	0.84	55%	0.547	S	S	*	.			trans	-70.1	104.6	-173.2	-130.1	-11.4	0	0	0	108.6	S4	N2-S4 PolarHBondContact O-N 3.3Å
3	K	38.1	Very low	58	Low	189 Å²	189	105.1 Å²	105.1	82%	0.822	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-60.4	-8.7	179.9	-87.8	179.7	171.7	-179.6	0	113.7	M1 L5	M1-K3 PolarHBondContact O-N 3.23Å; M1-K3 VanDerWaalsContact O-N 3.07Å; K3-L5 VanDerWaalsContact C-N 3.33Å; K3-L5 PolarHBondContact O-N 3.16Å
4	S	36.5	Very low	60.4	Low	84 Å²	84	97.7 Å²	97.7	59%	0.587	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-75.6	-3.7	-169	-176.6	0	0	0	0	116.5	N2	N2-S4 PolarHBondContact O-N 3.3Å
5	L	40.4	Very low	62.5	Low	147 Å²	147	94.7 Å²	94.7	77%	0.77	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-122.8	14.9	-178.7	-108.7	129.3	0	0	0	114.3	K3 L7	K3-L5 VanDerWaalsContact C-N 3.33Å; K3-L5 PolarHBondContact O-N 3.16Å; L5-L7 PolarHBondContact O-N 3.32Å; L5-L7 VanDerWaalsContact O-N 3.13Å
6	R	45	Very low	64.6	Low	191 Å²	191	89.1 Å²	89.1	72%	0.721	44%	0.438	S	S	*	.			trans	-82.5	46.6	162.9	-70.1	-174.1	178.6	-175.2	-2.6	110.5
7	L	51.1	Low	66.5	Low	102 Å²	102	86.7 Å²	86.7	53%	0.534	43%	0.428	S	S	.	.			trans	-93.5	114.6	178.6	-71.1	166.7	0	0	0	107.2	L5 T12	L5-L7 PolarHBondContact O-N 3.32Å; L5-L7 VanDerWaalsContact O-N 3.13Å; L7-T12 VanDerWaalsContact CB-OG1 3.27Å; L7-T12 WeakPolarHBondContact CB-OG1 2.73Å; L7-T12 WeakPolarHBondContact O-CB 3.14Å; L7-T12 PolarHBondContact O-OG1 2.76Å
8	E	68.6	Low	68.2	Low	92 Å²	92	91.6 Å²	91.6	43%	0.43	44%	0.441	S	S	.	.			trans	-19.9	125.2	-177.7	-64.1	177.1	-170.8	0	0	115.9	V10 E11 T12 E198	E8-V10 PolarHBondContact O-N 3.18Å; E8-V10 VanDerWaalsContact O-N 3.08Å; E8-E11 HydrophobicContact CB-CB 3.96Å; E8-E11 HydrophobicContact CB-CG 3.83Å; E8-E11 PolarHBondContact O-N 3.16Å; E8-E11 VanDerWaalsContact O-N 3.1Å; E8-E11 WeakPolarHBondContact OE2-CG 3.4Å; E8-T12 WeakPolarHBondContact O-CB 3.46Å; E8-T12 PolarHBondContact O-N 3.48Å; E8-T12 PolarHBondContact O-OG1 3.39Å; E8-E198 WeakPolarHBondContact CA-OE2 3.26Å
9	L	82.4	Confident	69.8	Low	6 Å²	6	91.3 Å²	91.3	3%	0.031	45%	0.445	C	S	.	.	H	α-helix	trans	-41.1	-48.9	177.2	166.8	59.8	0	0	0	112.7	F13 T169 F170 A196 E198 T210 F213	L9-F13 HydrophobicContact CD1-CB 4.37Å; L9-F13 HydrophobicContact CD1-CD2 3.9Å; L9-F13 WeakPolarHBondContact O-CB 3.38Å; L9-F13 PolarHBondContact O-N 2.7Å; L9-T169 HydrophobicContact CB-CG2 4.12Å; L9-T169 HydrophobicContact CD1-CG2 4.11Å; L9-T169 WeakPolarHBondContact CD1-OG1 3.27Å; L9-F170 HydrophobicContact CD1-CE2 4.1Å; L9-F170 HydrophobicContact CD2-CD2 4.41Å; L9-F170 HydrophobicContact CD2-CE1 4.44Å; L9-F170 HydrophobicContact CD2-CE2 3.56Å; L9-F170 HydrophobicContact CD2-CZ 3.59Å; L9-A196 HydrophobicContact CD2-CB 3.99Å; L9-E198 PolarHBondContact N-OE2 2.78Å; L9-T210 HydrophobicContact CD2-CG2 3.76Å; L9-F213 HydrophobicContact CD1-CE1 4.37Å; L9-F213 HydrophobicContact CD1-CZ 4.42Å
10	V	80.5	Confident	71.2	Confident	24 Å²	24	92.2 Å²	92.2	15%	0.145	45%	0.452	C	S	.	.	I	π-helix	trans	-71.9	-50.6	-177.2	179.1	0	0	0	0	110.8	E8 T12 L14 N15 I200 L206	E8-V10 PolarHBondContact O-N 3.18Å; E8-V10 VanDerWaalsContact O-N 3.08Å; V10-T12 VanDerWaalsContact C-N 3.26Å; V10-T12 PolarHBondContact O-N 2.9Å; V10-L14 HydrophobicContact CG1-CB 4.45Å; V10-L14 HydrophobicContact CG2-CD1 4.47Å; V10-L14 CarbonylContact O-C 3.58Å; V10-L14 PolarHBondContact O-N 3.25Å; V10-L14 VanDerWaalsContact O-N 3.13Å; V10-N15 PolarHBondContact O-N 2.9Å; V10-I200 HydrophobicContact CG2-CB 4.35Å; V10-I200 HydrophobicContact CG2-CG1 4.05Å; V10-I200 HydrophobicContact CG2-CG2 4.01Å; V10-L206 HydrophobicContact CG1-CD1 4.29Å; V10-L206 HydrophobicContact CG1-CD2 4.12Å
11	E	80.7	Confident	72.4	Confident	106 Å²	106	90.1 Å²	90.1	50%	0.495	45%	0.45	S	S	.	.	I	π-helix	trans	-63	-33.2	-177.9	-61.8	-163.7	138.2	0	0	113.1	E8 N15	E8-E11 HydrophobicContact CB-CB 3.96Å; E8-E11 HydrophobicContact CB-CG 3.83Å; E8-E11 PolarHBondContact O-N 3.16Å; E8-E11 VanDerWaalsContact O-N 3.1Å; E8-E11 WeakPolarHBondContact OE2-CG 3.4Å; E11-N15 WeakPolarHBondContact O-CB 3.26Å
12	T	81.3	Confident	75.6	Confident	14 Å²	14	81.2 Å²	81.2	9%	0.086	41%	0.407	C	S	.	.	I	π-helix	trans	-91.1	-50.5	-175.8	-56.8	0	0	0	0	112	L7 E8 V10 H28	L7-T12 VanDerWaalsContact CB-OG1 3.27Å; L7-T12 WeakPolarHBondContact CB-OG1 2.73Å; L7-T12 WeakPolarHBondContact O-CB 3.14Å; L7-T12 PolarHBondContact O-OG1 2.76Å; E8-T12 WeakPolarHBondContact O-CB 3.46Å; E8-T12 PolarHBondContact O-N 3.48Å; E8-T12 PolarHBondContact O-OG1 3.39Å; V10-T12 VanDerWaalsContact C-N 3.26Å; V10-T12 PolarHBondContact O-N 2.9Å; T12-H28 HydrophobicContact CG2-CB 4.05Å
13	F	86.8	Confident	78.8	Confident	29 Å²	29	75.9 Å²	75.9	13%	0.127	38%	0.377	C	S	.	.	I	π-helix	trans	-102.8	-20.8	-167.4	-56.7	-54.2	0	0	0	114.3	L9 I30 Q43 Q47 T169 F213	L9-F13 HydrophobicContact CD1-CB 4.37Å; L9-F13 HydrophobicContact CD1-CD2 3.9Å; L9-F13 WeakPolarHBondContact O-CB 3.38Å; L9-F13 PolarHBondContact O-N 2.7Å; F13-I30 HydrophobicContact CD1-CG2 3.53Å; F13-I30 HydrophobicContact CE1-CG2 3.14Å; F13-I30 HydrophobicContact CG-CG2 4.47Å; F13-I30 HydrophobicContact CZ-CG2 3.81Å; F13-Q43 PolarHBondContact O-NE2 3.27Å; F13-Q47 WeakPolarHBondContact O-CG 3.19Å; F13-Q47 PolarHBondContact O-NE2 3.14Å; F13-T169 HydrophobicContact CD2-CG2 3.99Å; F13-T169 HydrophobicContact CE2-CG2 3.59Å; F13-F213 HydrophobicContact CB-CE2 4.31Å
14	L	91.6	Very high	81.7	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.01	34%	0.34	C	S	.	.	I	π-helix	trans	-108.5	-22.6	178.4	-68.2	-178.4	0	0	0	113.4	V10 V50 C209 F213	V10-L14 HydrophobicContact CG1-CB 4.45Å; V10-L14 HydrophobicContact CG2-CD1 4.47Å; V10-L14 CarbonylContact O-C 3.58Å; V10-L14 PolarHBondContact O-N 3.25Å; V10-L14 VanDerWaalsContact O-N 3.13Å; L14-V50 HydrophobicContact CB-CG2 4.17Å; L14-C209 HydrophobicContact CD1-CB 4.34Å; L14-F213 HydrophobicContact CD2-CB 4.25Å; L14-F213 HydrophobicContact CD2-CD2 3.82Å; L14-F213 HydrophobicContact CD2-CG 4.42Å
15	N	92.1	Very high	84.7	Confident	53 Å²	53	68.4 Å²	68.4	28%	0.283	33%	0.331	S	S	.	.			trans	-67.8	141.4	179.3	-164.9	15.3	0	0	0	111.7	V10 E11 K27	V10-N15 PolarHBondContact O-N 2.9Å; E11-N15 WeakPolarHBondContact O-CB 3.26Å; N15-K27 PolarHBondContact ND2-NZ 2.82Å
16	L	96.5	Very high	87.3	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	139.1	-178.1	-57.8	177	0	0	0	109.8	Y24 R25 Q47 V50 A51 K54 Y81	L16-Y24 HydrophobicContact CD1-CG 4.49Å; L16-R25 WeakPolarHBondContact CA-O 3.37Å; L16-Q47 HydrophobicContact CD1-CB 4.42Å; L16-Q47 WeakPolarHBondContact CD1-O 3.33Å; L16-Q47 HydrophobicContact CD2-CB 4.09Å; L16-Q47 HydrophobicContact CD2-CG 3.89Å; L16-V50 HydrophobicContact CD1-CB 4.48Å; L16-V50 HydrophobicContact CD1-CG1 4.27Å; L16-V50 HydrophobicContact CG-CG1 4.45Å; L16-A51 HydrophobicContact CD1-CB 3.74Å; L16-K54 PolarHBondContact O-NZ 2.77Å; L16-Y81 HydrophobicContact CD1-CD2 4.11Å; L16-Y81 HydrophobicContact CD2-CD2 4.21Å; L16-Y81 HydrophobicContact CD2-CE2 4.12Å
17	D	96.7	Very high	89.6	Confident	49 Å²	49	56.5 Å²	56.5	26%	0.262	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	136.1	165.7	-74.1	-28.7	0	0	0	109.4	Y24 R25 K27	D17-Y24 CarbonylContact O-C 3.57Å; D17-Y24 WeakPolarHBondContact O-CA 3.14Å; D17-R25 HydrophobicContact CB-CB 4.43Å; D17-R25 PolarHBondContact N-O 2.93Å; D17-R25 PolarHBondContact O-N 3.15Å; D17-R25 IonicContact OD2-CZ 3.1Å; D17-R25 IonicContact OD2-NE 3Å; D17-R25 IonicContact OD2-NH2 2.7Å; D17-R25 PolarHBondContact OD2-NH2 2.81Å; D17-K27 WeakPolarHBondContact OD1-CE 3.05Å; D17-K27 IonicContact OD1-NZ 3.42Å; D17-K27 PolarHBondContact OD1-NZ 3.1Å
18	R	97.7	Very high	91.5	Very high	175 Å²	175	56.6 Å²	56.6	66%	0.66	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	123.7	165.5	-176.1	177.6	174.1	-172.5	-6.1	108.3	D20 Y24	R18-D20 VanDerWaalsContact CG-O 3.27Å; R18-D20 WeakPolarHBondContact CG-O 3.4Å; R18-D20 PolarHBondContact NE-O 3.13Å; R18-D20 VanDerWaalsContact NE-O 3.16Å; R18-Y24 HydrophobicContact CB-CD1 4.11Å; R18-Y24 HydrophobicContact CB-CE1 4.1Å; R18-Y24 HydrophobicContact CG-CD1 4.38Å; R18-Y24 HydrophobicContact CG-CE1 4.09Å
19	V	97.7	Very high	92.6	Very high	85 Å²	85	53.6 Å²	53.6	52%	0.515	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-42.3	176.9	-179.6	0	0	0	0	110.3	I23 R25	V19-I23 HydrophobicContact CB-CB 4.45Å; V19-I23 HydrophobicContact CB-CG2 4.08Å; V19-I23 PolarHBondContact N-O 2.99Å; V19-R25 HydrophobicContact CG2-CB 3.67Å
20	D	97.4	Very high	92.9	Very high	109 Å²	109	54.6 Å²	54.6	58%	0.583	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.4	-174.1	177.7	-153	-26.1	0	0	0	110	R18 N22 I23	R18-D20 VanDerWaalsContact CG-O 3.27Å; R18-D20 WeakPolarHBondContact CG-O 3.4Å; R18-D20 PolarHBondContact NE-O 3.13Å; R18-D20 VanDerWaalsContact NE-O 3.16Å; D20-N22 PolarHBondContact O-N 3.21Å; D20-I23 HydrophobicContact CB-CB 4.15Å; D20-I23 HydrophobicContact CB-CG1 4.19Å; D20-I23 PolarHBondContact N-O 2.83Å; D20-I23 PolarHBondContact O-N 3.25Å
21	A	97.5	Very high	93.2	Very high	50 Å²	50	55.4 Å²	55.4	41%	0.413	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	118.6	166	0	0	0	0	0	110.3	I23	A21-I23 PolarHBondContact O-N 2.88Å; A21-I23 VanDerWaalsContact O-N 3.15Å
22	N	98.4	Very high	93.1	Very high	38 Å²	38	51 Å²	51	20%	0.203	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	11.6	178.8	-40.8	-56.6	0	0	0	115.4	D20 T55 V83 R85	D20-N22 PolarHBondContact O-N 3.21Å; N22-T55 HydrophobicContact CB-CG2 4.44Å; N22-V83 HydrophobicContact CB-CB 4.12Å; N22-V83 WeakPolarHBondContact CB-O 3.31Å; N22-V83 PolarHBondContact O-N 3.12Å; N22-R85 PolarHBondContact OD1-NE 3Å; N22-R85 PolarHBondContact OD1-NH2 2.95Å; N22-R85 VanDerWaalsContact OD1-NH2 3.16Å
23	I	98.6	Very high	93	Very high	44 Å²	44	52.4 Å²	52.4	23%	0.226	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.6	175	-51.8	-59.4	0	0	0	109.7	V19 D20 A21 I80 Y81 S82	V19-I23 HydrophobicContact CB-CB 4.45Å; V19-I23 HydrophobicContact CB-CG2 4.08Å; V19-I23 PolarHBondContact N-O 2.99Å; D20-I23 HydrophobicContact CB-CB 4.15Å; D20-I23 HydrophobicContact CB-CG1 4.19Å; D20-I23 PolarHBondContact N-O 2.83Å; D20-I23 PolarHBondContact O-N 3.25Å; A21-I23 PolarHBondContact O-N 2.88Å; A21-I23 VanDerWaalsContact O-N 3.15Å; I23-I80 HydrophobicContact CG2-CG2 3.71Å; I23-Y81 WeakPolarHBondContact CA-O 3.38Å; I23-S82 WeakPolarHBondContact CD1-OG 3.27Å
24	Y	98.6	Very high	92.4	Very high	10 Å²	10	53.3 Å²	53.3	4%	0.039	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	155.4	-178.4	-55.4	-89	0	0	0	111.7	L16 D17 R18 A51 K54 T55 I80 Y81 V83	L16-Y24 HydrophobicContact CD1-CG 4.49Å; D17-Y24 CarbonylContact O-C 3.57Å; D17-Y24 WeakPolarHBondContact O-CA 3.14Å; R18-Y24 HydrophobicContact CB-CD1 4.11Å; R18-Y24 HydrophobicContact CB-CE1 4.1Å; R18-Y24 HydrophobicContact CG-CD1 4.38Å; R18-Y24 HydrophobicContact CG-CE1 4.09Å; Y24-A51 HydrophobicContact CD2-CB 3.69Å; Y24-A51 HydrophobicContact CE2-CB 4.28Å; Y24-A51 VanDerWaalsContact CE2-O 3.26Å; Y24-A51 WeakPolarHBondContact CE2-O 3.45Å; Y24-A51 HydrophobicContact CG-CB 4.17Å; Y24-K54 HydrophobicContact CD1-CD 4.08Å; Y24-K54 HydrophobicContact CE1-CB 3.93Å; Y24-K54 HydrophobicContact CE1-CD 3.66Å; Y24-K54 HydrophobicContact CE1-CG 4.44Å; Y24-K54 VanDerWaalsContact OH-CB 3.31Å; Y24-K54 WeakPolarHBondContact OH-CB 3.37Å; Y24-K54 PolarHBondContact OH-O 3.21Å; Y24-T55 HydrophobicContact CE2-CG2 3.94Å; Y24-T55 WeakPolarHBondContact OH-CG2 3.27Å; Y24-I80 CarbonylContact O-C 3.55Å; Y24-I80 WeakPolarHBondContact O-CA 3.32Å; Y24-Y81 PolarHBondContact N-O 2.9Å; Y24-Y81 PolarHBondContact O-N 2.9Å; Y24-V83 HydrophobicContact CD2-CG2 4.11Å; Y24-V83 HydrophobicContact CE2-CG2 4.05Å
25	R	98.1	Very high	91.5	Very high	106 Å²	106	59.8 Å²	59.8	40%	0.4	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133.4	-177.9	179.3	-178.3	69.7	-172.7	-0.2	111.3	L16 D17 V19 P78 I79 I80	L16-R25 WeakPolarHBondContact CA-O 3.37Å; D17-R25 HydrophobicContact CB-CB 4.43Å; D17-R25 PolarHBondContact N-O 2.93Å; D17-R25 PolarHBondContact O-N 3.15Å; D17-R25 IonicContact OD2-CZ 3.1Å; D17-R25 IonicContact OD2-NE 3Å; D17-R25 IonicContact OD2-NH2 2.7Å; D17-R25 PolarHBondContact OD2-NH2 2.81Å; V19-R25 HydrophobicContact CG2-CB 3.67Å; R25-P78 HydrophobicContact CG-CB 3.73Å; R25-I79 WeakPolarHBondContact CA-O 3.21Å; R25-I80 HydrophobicContact CB-CD1 3.86Å; R25-I80 HydrophobicContact CG-CD1 3.74Å
26	S	96.8	Very high	91	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	143.2	173.7	68.1	0	0	0	0	112	P78 I79	S26-P78 WeakPolarHBondContact OG-CA 3.08Å; S26-I79 PolarHBondContact N-O 2.9Å; S26-I79 PolarHBondContact OG-N 2.99Å
27	K	91.8	Very high	90.4	Very high	86 Å²	86	62.4 Å²	62.4	37%	0.374	33%	0.325	S	S	.	.	S	Bend	trans	-94	-54.1	175.8	-64.9	179.8	173.4	-179	0	112.8	N15 D17	N15-K27 PolarHBondContact ND2-NZ 2.82Å; D17-K27 WeakPolarHBondContact OD1-CE 3.05Å; D17-K27 IonicContact OD1-NZ 3.42Å; D17-K27 PolarHBondContact OD1-NZ 3.1Å
28	H	90.7	Very high	90.1	Very high	104 Å²	104	66.1 Å²	66.1	48%	0.481	34%	0.335	S	S	.	.			trans	-125.8	134.4	-177.6	-59.4	-71.4	0	0	0	109.3	T12 Q43	T12-H28 HydrophobicContact CG2-CB 4.05Å; H28-Q43 PolarHBondContact O-NE2 2.83Å
29	L	92.3	Very high	89.9	Confident	29 Å²	29	58.4 Å²	58.4	15%	0.152	31%	0.307	C	S	.	.			trans	-121.3	131.3	-179.7	-63.6	172.5	0	0	0	109	V39 R75 M77 I79	L29-V39 HydrophobicContact CB-CG1 4.28Å; L29-V39 HydrophobicContact CB-CG2 3.91Å; L29-V39 HydrophobicContact CD1-CG2 4.01Å; L29-V39 HydrophobicContact CD2-CG1 4.04Å; L29-V39 HydrophobicContact CD2-CG2 4.27Å; L29-V39 HydrophobicContact CG-CG2 4.29Å; L29-R75 HydrophobicContact CB-CB 4.38Å; L29-M77 WeakPolarHBondContact CD1-O 3.35Å; L29-I79 HydrophobicContact CD1-CD1 4.31Å; L29-I79 HydrophobicContact CD1-CG1 4.03Å; L29-I79 HydrophobicContact CD2-CD1 3.72Å; L29-I79 HydrophobicContact CD2-CG1 4.15Å
30	I	89.5	Confident	89.7	Confident	26 Å²	26	54.7 Å²	54.7	13%	0.133	28%	0.284	C	S	.	.			trans	-102.5	141.4	179.9	59.8	175.7	0	0	0	110.9	F13 V39 Y40 H165 F213	F13-I30 HydrophobicContact CD1-CG2 3.53Å; F13-I30 HydrophobicContact CE1-CG2 3.14Å; F13-I30 HydrophobicContact CG-CG2 4.47Å; F13-I30 HydrophobicContact CZ-CG2 3.81Å; I30-V39 CarbonylContact O-C 3.57Å; I30-V39 VanDerWaalsContact O-CA 3.3Å; I30-V39 WeakPolarHBondContact O-CA 3.46Å; I30-Y40 HydrophobicContact CD1-CD1 4.19Å; I30-Y40 PolarHBondContact O-N 2.99Å; I30-H165 WeakPolarHBondContact CD1-NE2 3.26Å; I30-F213 HydrophobicContact CD1-CE2 4.47Å; I30-F213 HydrophobicContact CD1-CZ 3.9Å
31	P	86	Confident	89.6	Confident	42 Å²	42	50.2 Å²	50.2	27%	0.273	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-69.5	142.7	177.3	31	-35.4	0	0	0	110.7	I33 N36 R38 H165	P31-I33 PolarHBondContact O-N 3.41Å; P31-N36 WeakPolarHBondContact CB-O 3.4Å; P31-R38 CarbonylContact C-O 3.55Å; P31-R38 WeakPolarHBondContact CA-O 3.43Å; P31-H165 PolarHBondContact O-CE1 3.25Å; P31-H165 PolarHBondContact O-ND1 2.98Å; P31-H165 VanDerWaalsContact O-ND1 3.17Å
32	G	78.5	Confident	89.5	Confident	12 Å²	12	47.9 Å²	47.9	12%	0.124	24%	0.244	C	C	.	.	S	Bend	trans	-63.7	-38.2	175.7	0	0	0	0	0	112.8	R38 H165	G32-R38 PolarHBondContact N-O 2.9Å; G32-H165 WeakPolarHBondContact O-CA 3.24Å; G32-H165 WeakPolarHBondContact O-CB 3.17Å; G32-H165 PolarHBondContact O-ND1 3.39Å
33	I	79.8	Confident	89.3	Confident	44 Å²	44	46 Å²	46	23%	0.226	24%	0.235	C	C	.	.	S	Bend	trans	-140.3	162.5	173.3	61.4	179	0	0	0	108.9	P31 D35 N36 R162	P31-I33 PolarHBondContact O-N 3.41Å; I33-D35 PolarHBondContact O-N 2.67Å; I33-N36 HydrophobicContact CD1-CB 4.17Å; I33-N36 HydrophobicContact CG1-CB 3.38Å; I33-N36 WeakPolarHBondContact CG1-ND2 3.42Å; I33-N36 WeakPolarHBondContact O-CB 3.18Å; I33-N36 PolarHBondContact O-N 2.89Å; I33-R162 VanDerWaalsContact CD1-O 3.3Å; I33-R162 WeakPolarHBondContact CD1-O 3.1Å
34	P	73.9	Confident	89.3	Confident	49 Å²	49	44.2 Å²	44.2	32%	0.318	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	137.1	177	-27.4	36.1	0	0	0	111.9	N36	P34-N36 PolarHBondContact O-N 2.97Å
35	D	73.3	Confident	89.3	Confident	137 Å²	137	43.8 Å²	43.8	73%	0.733	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	3.2	178.8	-51.6	-41.8	0	0	0	117.2	I33	I33-D35 PolarHBondContact O-N 2.67Å
36	N	80.7	Confident	89.2	Confident	42 Å²	42	38.7 Å²	38.7	23%	0.225	21%	0.205	C	C	.	.			trans	-81	131.3	175.4	-167.8	-24.4	0	0	0	110.3	P31 I33 P34 R38 R75	P31-N36 WeakPolarHBondContact CB-O 3.4Å; I33-N36 HydrophobicContact CD1-CB 4.17Å; I33-N36 HydrophobicContact CG1-CB 3.38Å; I33-N36 WeakPolarHBondContact CG1-ND2 3.42Å; I33-N36 WeakPolarHBondContact O-CB 3.18Å; I33-N36 PolarHBondContact O-N 2.89Å; P34-N36 PolarHBondContact O-N 2.97Å; N36-R38 PolarHBondContact O-N 3Å; N36-R38 VanDerWaalsContact OD1-CB 3.27Å; N36-R38 WeakPolarHBondContact OD1-CB 3.26Å; N36-R38 WeakPolarHBondContact OD1-CG 3.22Å; N36-R38 PolarHBondContact OD1-N 3.35Å; N36-R75 PolarHBondContact O-NH1 3.38Å
37	P	85	Confident	89.3	Confident	70 Å²	70	38.6 Å²	38.6	46%	0.455	20%	0.204	S	C	.	.	S	Bend	trans	-67.9	-16.2	174.5	28	-36.4	0	0	0	112.7	R75	P37-R75 WeakPolarHBondContact O-CB 3.43Å; P37-R75 WeakPolarHBondContact O-CG 3.47Å; P37-R75 PolarHBondContact O-N 3.47Å
38	R	90.4	Very high	89.6	Confident	127 Å²	127	34.5 Å²	34.5	48%	0.479	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-78.3	135.1	-175.3	-62.6	178.8	-175	-178.5	2.4	112.7	P31 G32 N36 A73	P31-R38 CarbonylContact C-O 3.55Å; P31-R38 WeakPolarHBondContact CA-O 3.43Å; G32-R38 PolarHBondContact N-O 2.9Å; N36-R38 PolarHBondContact O-N 3Å; N36-R38 VanDerWaalsContact OD1-CB 3.27Å; N36-R38 WeakPolarHBondContact OD1-CB 3.26Å; N36-R38 WeakPolarHBondContact OD1-CG 3.22Å; N36-R38 PolarHBondContact OD1-N 3.35Å; R38-A73 CarbonylContact C-O 3.57Å; R38-A73 WeakPolarHBondContact CA-O 3.48Å
39	V	93.1	Very high	90	Very high	13 Å²	13	29.5 Å²	29.5	8%	0.079	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-65.5	146.1	172.7	-173.3	0	0	0	0	110.6	L29 I30 G41 Q43 V44 A73 R75 I79	L29-V39 HydrophobicContact CB-CG1 4.28Å; L29-V39 HydrophobicContact CB-CG2 3.91Å; L29-V39 HydrophobicContact CD1-CG2 4.01Å; L29-V39 HydrophobicContact CD2-CG1 4.04Å; L29-V39 HydrophobicContact CD2-CG2 4.27Å; L29-V39 HydrophobicContact CG-CG2 4.29Å; I30-V39 CarbonylContact O-C 3.57Å; I30-V39 VanDerWaalsContact O-CA 3.3Å; I30-V39 WeakPolarHBondContact O-CA 3.46Å; V39-G41 PolarHBondContact O-N 3Å; V39-Q43 HydrophobicContact CG1-CB 4.26Å; V39-V44 HydrophobicContact CB-CG2 4.48Å; V39-V44 HydrophobicContact CG1-CG2 4.17Å; V39-A73 HydrophobicContact CB-CB 3.88Å; V39-A73 HydrophobicContact CG2-CB 3.74Å; V39-A73 PolarHBondContact N-O 2.71Å; V39-R75 HydrophobicContact CG2-CB 4.09Å; V39-I79 HydrophobicContact CG2-CD1 4.43Å
40	Y	93.4	Very high	90.3	Very high	7 Å²	7	28.6 Å²	28.6	3%	0.027	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-57.5	126.4	168.9	172.7	-133.1	0	0	0	111.5	I30 G42 Q43 V44 H165 F213 D216 S217	I30-Y40 HydrophobicContact CD1-CD1 4.19Å; I30-Y40 PolarHBondContact O-N 2.99Å; Y40-G42 VanDerWaalsContact CE1-CA 3.5Å; Y40-G42 PolarHBondContact O-N 2.71Å; Y40-Q43 HydrophobicContact CD1-CB 4.09Å; Y40-Q43 VanDerWaalsContact CD1-N 3.33Å; Y40-Q43 WeakPolarHBondContact O-CB 3.41Å; Y40-Q43 PolarHBondContact O-N 3.07Å; Y40-Q43 VanDerWaalsContact O-N 3.08Å; Y40-V44 PolarHBondContact O-N 2.71Å; Y40-H165 AromaticContact CD1-CD2 3.49Å; Y40-H165 VanDerWaalsContact CD1-CD2 3.49Å; Y40-H165 WeakPolarHBondContact CD1-CD2 3.38Å; Y40-H165 AromaticContact CD1-NE2 3.85Å; Y40-H165 HydrophobicContact CD2-CB 3.59Å; Y40-H165 AromaticContact CD2-CD2 3.49Å; Y40-H165 VanDerWaalsContact CD2-CD2 3.49Å; Y40-H165 WeakPolarHBondContact CD2-CD2 3.32Å; Y40-H165 AromaticContact CD2-CG 3.61Å; Y40-H165 AromaticContact CE1-CD2 3.77Å; Y40-H165 HydrophobicContact CE2-CB 3.84Å; Y40-H165 AromaticContact CE2-CD2 3.8Å; Y40-H165 HydrophobicContact CG-CB 4.29Å; Y40-H165 AromaticContact CG-CD2 3.35Å; Y40-H165 AromaticContact CG-CG 3.78Å; Y40-H165 AromaticContact CG-NE2 3.86Å; Y40-H165 AromaticContact CZ-CD2 3.92Å; Y40-F213 HydrophobicContact CD1-CE1 4.31Å; Y40-F213 HydrophobicContact CD1-CE2 4.2Å; Y40-F213 AromaticContact CD1-CZ 3.89Å; Y40-F213 HydrophobicContact CD1-CZ 3.89Å; Y40-F213 HydrophobicContact CE1-CD1 4.21Å; Y40-F213 AromaticContact CE1-CE1 3.82Å; Y40-F213 HydrophobicContact CE1-CE1 3.82Å; Y40-F213 HydrophobicContact CE1-CE2 4.29Å; Y40-F213 AromaticContact CE1-CZ 3.86Å; Y40-F213 HydrophobicContact CE1-CZ 3.86Å; Y40-F213 PolarHBondContact OH-O 3.47Å; Y40-D216 HydrophobicContact CE2-CB 4.4Å; Y40-D216 VanDerWaalsContact OH-C 3.25Å; Y40-S217 PolarHBondContact OH-N 3.46Å; Y40-S217 PolarHBondContact OH-OG 2.99Å
41	G	94.3	Very high	90.7	Very high	16 Å²	16	27.4 Å²	27.4	17%	0.165	15%	0.152	C	C	.	.	H	α-helix	trans	-57.8	-44.6	-177.6	0	0	0	0	0	113.1	V39 Q43 V44 V45 D216	V39-G41 PolarHBondContact O-N 3Å; G41-Q43 PolarHBondContact O-N 3.27Å; G41-V44 WeakPolarHBondContact O-CA 3.3Å; G41-V44 WeakPolarHBondContact O-CB 3.47Å; G41-V44 PolarHBondContact O-N 2.84Å; G41-V45 PolarHBondContact O-N 3.08Å; G41-D216 VanDerWaalsContact C-OD2 3.23Å; G41-D216 VanDerWaalsContact CA-OD2 3.25Å; G41-D216 WeakPolarHBondContact CA-OD2 3.42Å
42	G	95.2	Very high	91.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.5	-32	176.3	0	0	0	0	0	113.6	Y40 V44 V45 G46 F213 D216	Y40-G42 VanDerWaalsContact CE1-CA 3.5Å; Y40-G42 PolarHBondContact O-N 2.71Å; G42-V44 PolarHBondContact O-N 3.31Å; G42-V45 PolarHBondContact O-N 3.1Å; G42-G46 PolarHBondContact O-N 3.1Å; G42-F213 WeakPolarHBondContact CA-O 3.37Å; G42-F213 WeakPolarHBondContact O-CA 3.46Å; G42-D216 PolarHBondContact N-OD2 3.09Å
43	Q	95.7	Very high	92.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.5	-43.3	171.8	-173.1	176.5	25.5	0	0	111.7	F13 H28 V39 Y40 G41 V45 G46 Q47 F213	F13-Q43 PolarHBondContact O-NE2 3.27Å; H28-Q43 PolarHBondContact O-NE2 2.83Å; V39-Q43 HydrophobicContact CG1-CB 4.26Å; Y40-Q43 HydrophobicContact CD1-CB 4.09Å; Y40-Q43 VanDerWaalsContact CD1-N 3.33Å; Y40-Q43 WeakPolarHBondContact O-CB 3.41Å; Y40-Q43 PolarHBondContact O-N 3.07Å; Y40-Q43 VanDerWaalsContact O-N 3.08Å; G41-Q43 PolarHBondContact O-N 3.27Å; Q43-V45 VanDerWaalsContact C-N 3.32Å; Q43-V45 PolarHBondContact O-N 3.13Å; Q43-G46 PolarHBondContact O-N 3.13Å; Q43-Q47 HydrophobicContact CG-CG 4.24Å; Q43-Q47 VanDerWaalsContact NE2-NE2 3.13Å; Q43-Q47 VanDerWaalsContact O-CB 3.31Å; Q43-Q47 WeakPolarHBondContact O-CB 3.37Å; Q43-Q47 WeakPolarHBondContact O-CG 3.42Å; Q43-Q47 PolarHBondContact O-N 3.2Å; Q43-F213 HydrophobicContact CB-CD2 4.18Å; Q43-F213 HydrophobicContact CB-CE2 3.67Å; Q43-F213 HydrophobicContact CG-CD2 4.46Å; Q43-F213 HydrophobicContact CG-CE2 3.94Å
44	V	97.7	Very high	93.1	Very high	6 Å²	6	27.7 Å²	27.7	4%	0.036	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-42.5	179.2	-174	0	0	0	0	110.7	V39 Y40 G41 G42 A48 I79 Y81 A99 F107	V39-V44 HydrophobicContact CB-CG2 4.48Å; V39-V44 HydrophobicContact CG1-CG2 4.17Å; Y40-V44 PolarHBondContact O-N 2.71Å; G41-V44 WeakPolarHBondContact O-CA 3.3Å; G41-V44 WeakPolarHBondContact O-CB 3.47Å; G41-V44 PolarHBondContact O-N 2.84Å; G42-V44 PolarHBondContact O-N 3.31Å; V44-A48 VanDerWaalsContact O-CB 3.3Å; V44-A48 WeakPolarHBondContact O-CB 3.46Å; V44-A48 PolarHBondContact O-N 3.1Å; V44-I79 HydrophobicContact CG2-CD1 3.97Å; V44-Y81 WeakPolarHBondContact CA-OH 3.43Å; V44-Y81 HydrophobicContact CG1-CE1 4.33Å; V44-A99 HydrophobicContact CG1-CB 4.24Å; V44-F107 HydrophobicContact CG1-CB 3.82Å; V44-F107 HydrophobicContact CG1-CD1 3.8Å; V44-F107 HydrophobicContact CG1-CD2 3.99Å; V44-F107 HydrophobicContact CG1-CE1 4.27Å; V44-F107 HydrophobicContact CG1-CE2 4.43Å; V44-F107 HydrophobicContact CG1-CG 3.63Å
45	V	98.3	Very high	94.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-51.5	176.3	176.8	0	0	0	0	111.2	G41 G42 Q43 Q47 A48 M49 L65 F69 F107 A212 M244	G41-V45 PolarHBondContact O-N 3.08Å; G42-V45 PolarHBondContact O-N 3.1Å; Q43-V45 VanDerWaalsContact C-N 3.32Å; Q43-V45 PolarHBondContact O-N 3.13Å; V45-Q47 PolarHBondContact O-N 3.43Å; V45-A48 PolarHBondContact O-N 2.87Å; V45-M49 PolarHBondContact O-N 3.21Å; V45-L65 HydrophobicContact CG1-CD1 4.32Å; V45-L65 HydrophobicContact CG1-CD2 4.31Å; V45-F69 HydrophobicContact CG2-CE1 3.97Å; V45-F69 HydrophobicContact CG2-CZ 3.7Å; V45-F107 HydrophobicContact CG2-CE2 3.79Å; V45-F107 HydrophobicContact CG2-CZ 3.96Å; V45-A212 HydrophobicContact CG1-CB 4.18Å; V45-M244 HydrophobicContact CG1-CE 3.65Å
46	G	97.5	Very high	95.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.4	-46	179.7	0	0	0	0	0	112.4	G42 Q43 M49 V50	G42-G46 PolarHBondContact O-N 3.1Å; Q43-G46 PolarHBondContact O-N 3.13Å; G46-M49 PolarHBondContact O-N 2.71Å; G46-V50 WeakPolarHBondContact O-CG2 3.42Å; G46-V50 PolarHBondContact O-N 2.96Å
47	Q	98.2	Very high	96.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.3	-39.6	177.1	-75.9	-175.5	-3.9	0	0	112.5	F13 L16 Q43 V45 M49 V50 A51 Y81	F13-Q47 WeakPolarHBondContact O-CG 3.19Å; F13-Q47 PolarHBondContact O-NE2 3.14Å; L16-Q47 HydrophobicContact CD1-CB 4.42Å; L16-Q47 WeakPolarHBondContact CD1-O 3.33Å; L16-Q47 HydrophobicContact CD2-CB 4.09Å; L16-Q47 HydrophobicContact CD2-CG 3.89Å; Q43-Q47 HydrophobicContact CG-CG 4.24Å; Q43-Q47 VanDerWaalsContact NE2-NE2 3.13Å; Q43-Q47 VanDerWaalsContact O-CB 3.31Å; Q43-Q47 WeakPolarHBondContact O-CB 3.37Å; Q43-Q47 WeakPolarHBondContact O-CG 3.42Å; Q43-Q47 PolarHBondContact O-N 3.2Å; V45-Q47 PolarHBondContact O-N 3.43Å; Q47-M49 VanDerWaalsContact C-N 3.29Å; Q47-M49 PolarHBondContact O-N 3.16Å; Q47-V50 PolarHBondContact O-N 3.39Å; Q47-A51 WeakPolarHBondContact O-CB 3.48Å; Q47-A51 PolarHBondContact O-N 2.97Å; Q47-Y81 HydrophobicContact CB-CE1 4.14Å; Q47-Y81 HydrophobicContact CB-CE2 3.76Å; Q47-Y81 VanDerWaalsContact CB-CZ 3.48Å; Q47-Y81 WeakPolarHBondContact CB-OH 3.43Å; Q47-Y81 VanDerWaalsContact OE1-CE2 3.3Å; Q47-Y81 PolarHBondContact OE1-OH 2.86Å
48	A	98.7	Very high	96.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.1	-41.5	174.8	0	0	0	0	0	111.5	V44 V45 A51 A52 Y81 V97 F107	V44-A48 VanDerWaalsContact O-CB 3.3Å; V44-A48 WeakPolarHBondContact O-CB 3.46Å; V44-A48 PolarHBondContact O-N 3.1Å; V45-A48 PolarHBondContact O-N 2.87Å; A48-A51 PolarHBondContact O-N 2.78Å; A48-A52 PolarHBondContact O-N 3.35Å; A48-Y81 HydrophobicContact CB-CD1 4.02Å; A48-Y81 HydrophobicContact CB-CE1 3.87Å; A48-V97 HydrophobicContact CB-CB 4.49Å; A48-V97 HydrophobicContact CB-CG1 4.05Å; A48-F107 HydrophobicContact CB-CD1 4.47Å; A48-F107 HydrophobicContact CB-CE1 3.62Å; A48-F107 HydrophobicContact CB-CZ 4.34Å
49	M	98.6	Very high	96.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-67.9	-38	176.5	-164.5	158.4	89	0	0	112.6	V45 G46 Q47 A52 T53 P62 L65 I111 L208 C209 A212 F246	V45-M49 PolarHBondContact O-N 3.21Å; G46-M49 PolarHBondContact O-N 2.71Å; Q47-M49 VanDerWaalsContact C-N 3.29Å; Q47-M49 PolarHBondContact O-N 3.16Å; M49-A52 PolarHBondContact O-N 3.06Å; M49-T53 VanDerWaalsContact O-CB 3.26Å; M49-T53 WeakPolarHBondContact O-CB 3.35Å; M49-T53 PolarHBondContact O-N 3.18Å; M49-T53 PolarHBondContact O-OG1 2.99Å; M49-P62 HydrophobicContact CE-CB 4.17Å; M49-P62 HydrophobicContact CE-CG 4Å; M49-P62 HydrophobicContact CG-CB 4.42Å; M49-P62 HydrophobicContact CG-CG 3.96Å; M49-P62 HydrophobicContact SD-CB 3.63Å; M49-P62 HydrophobicContact SD-CG 3.73Å; M49-L65 HydrophobicContact CB-CD1 4.27Å; M49-L65 HydrophobicContact SD-CD1 4.24Å; M49-I111 HydrophobicContact CB-CD1 4.1Å; M49-I111 HydrophobicContact CG-CD1 4.14Å; M49-L208 HydrophobicContact CE-CB 3.72Å; M49-L208 WeakPolarHBondContact CE-O 3.41Å; M49-C209 VanDerWaalsContact CE-CA 3.41Å; M49-C209 HydrophobicContact CE-CB 4.27Å; M49-A212 HydrophobicContact CE-CB 3.78Å; M49-A212 HydrophobicContact SD-CB 4.31Å; M49-F246 HydrophobicContact CE-CE2 3.79Å; M49-F246 HydrophobicContact CE-CZ 3.82Å; M49-F246 HydrophobicContact SD-CE2 3.99Å
50	V	98.3	Very high	97.2	Very high	10 Å²	10	22.2 Å²	22.2	6%	0.061	12%	0.124	C	C	.	.	H	α-helix	trans	-60.3	-48.1	171.3	170.4	0	0	0	0	111.6	L14 L16 G46 Q47 A52 T53 K54 C209	L14-V50 HydrophobicContact CB-CG2 4.17Å; L16-V50 HydrophobicContact CD1-CB 4.48Å; L16-V50 HydrophobicContact CD1-CG1 4.27Å; L16-V50 HydrophobicContact CG-CG1 4.45Å; G46-V50 WeakPolarHBondContact O-CG2 3.42Å; G46-V50 PolarHBondContact O-N 2.96Å; Q47-V50 PolarHBondContact O-N 3.39Å; V50-A52 VanDerWaalsContact C-N 3.34Å; V50-A52 PolarHBondContact O-N 3Å; V50-T53 PolarHBondContact O-N 3.41Å; V50-K54 HydrophobicContact CG1-CD 4.23Å; V50-K54 HydrophobicContact CG1-CG 4.46Å; V50-K54 WeakPolarHBondContact O-CG 3.48Å; V50-K54 PolarHBondContact O-N 2.93Å; V50-C209 HydrophobicContact CG2-CB 3.72Å
51	A	98.6	Very high	97.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.3	-46.7	179.3	0	0	0	0	0	111.6	L16 Y24 Q47 A48 Y81 V83	L16-A51 HydrophobicContact CD1-CB 3.74Å; Y24-A51 HydrophobicContact CD2-CB 3.69Å; Y24-A51 HydrophobicContact CE2-CB 4.28Å; Y24-A51 VanDerWaalsContact CE2-O 3.26Å; Y24-A51 WeakPolarHBondContact CE2-O 3.45Å; Y24-A51 HydrophobicContact CG-CB 4.17Å; Q47-A51 WeakPolarHBondContact O-CB 3.48Å; Q47-A51 PolarHBondContact O-N 2.97Å; A48-A51 PolarHBondContact O-N 2.78Å; A51-Y81 HydrophobicContact CB-CG 4.28Å; A51-V83 HydrophobicContact CB-CG2 3.86Å
52	A	98.7	Very high	97.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.9	-44.7	176.8	0	0	0	0	0	112.2	A48 M49 V50 K54 T55 R95 V97 I111 F113	A48-A52 PolarHBondContact O-N 3.35Å; M49-A52 PolarHBondContact O-N 3.06Å; V50-A52 VanDerWaalsContact C-N 3.34Å; V50-A52 PolarHBondContact O-N 3Å; A52-K54 VanDerWaalsContact C-N 3.3Å; A52-K54 PolarHBondContact O-N 3.03Å; A52-T55 PolarHBondContact O-N 3.42Å; A52-T55 PolarHBondContact O-OG1 2.91Å; A52-R95 HydrophobicContact CB-CB 3.93Å; A52-R95 HydrophobicContact CB-CG 4.11Å; A52-V97 HydrophobicContact CB-CG2 3.84Å; A52-I111 HydrophobicContact CB-CD1 3.7Å; A52-F113 HydrophobicContact CB-CE2 4.16Å; A52-F113 HydrophobicContact CB-CZ 3.72Å
53	T	98	Very high	97.7	Very high	12 Å²	12	23.3 Å²	23.3	7%	0.074	13%	0.125	C	C	.	.	H	α-helix	trans	-60.4	-38.5	-179.3	-60.3	0	0	0	0	111.7	M49 V50 T55 I56 R205	M49-T53 VanDerWaalsContact O-CB 3.26Å; M49-T53 WeakPolarHBondContact O-CB 3.35Å; M49-T53 PolarHBondContact O-N 3.18Å; M49-T53 PolarHBondContact O-OG1 2.99Å; V50-T53 PolarHBondContact O-N 3.41Å; T53-T55 PolarHBondContact O-N 3.27Å; T53-I56 PolarHBondContact O-N 2.94Å; T53-I56 VanDerWaalsContact O-N 3.1Å; T53-R205 HydrophobicContact CG2-CB 3.88Å; T53-R205 HydrophobicContact CG2-CG 4.32Å
54	K	97.5	Very high	97.9	Very high	93 Å²	93	23.8 Å²	23.8	40%	0.404	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-8.5	174.3	-73.5	-178.7	175.5	-173.2	0	114.4	L16 Y24 V50 A52	L16-K54 PolarHBondContact O-NZ 2.77Å; Y24-K54 HydrophobicContact CD1-CD 4.08Å; Y24-K54 HydrophobicContact CE1-CB 3.93Å; Y24-K54 HydrophobicContact CE1-CD 3.66Å; Y24-K54 HydrophobicContact CE1-CG 4.44Å; Y24-K54 VanDerWaalsContact OH-CB 3.31Å; Y24-K54 WeakPolarHBondContact OH-CB 3.37Å; Y24-K54 PolarHBondContact OH-O 3.21Å; V50-K54 HydrophobicContact CG1-CD 4.23Å; V50-K54 HydrophobicContact CG1-CG 4.46Å; V50-K54 WeakPolarHBondContact O-CG 3.48Å; V50-K54 PolarHBondContact O-N 2.93Å; A52-K54 VanDerWaalsContact C-N 3.3Å; A52-K54 PolarHBondContact O-N 3.03Å
55	T	98.1	Very high	97.9	Very high	9 Å²	9	23.5 Å²	23.5	6%	0.055	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	8.6	178	71.2	0	0	0	0	113.8	N22 Y24 A52 T53 V83 R95	N22-T55 HydrophobicContact CB-CG2 4.44Å; Y24-T55 HydrophobicContact CE2-CG2 3.94Å; Y24-T55 WeakPolarHBondContact OH-CG2 3.27Å; A52-T55 PolarHBondContact O-N 3.42Å; A52-T55 PolarHBondContact O-OG1 2.91Å; T53-T55 PolarHBondContact O-N 3.27Å; T55-V83 HydrophobicContact CG2-CB 4.23Å; T55-V83 HydrophobicContact CG2-CG1 3.99Å; T55-R95 PolarHBondContact O-NH2 2.81Å; T55-R95 WeakPolarHBondContact OG1-CD 3.35Å; T55-R95 PolarHBondContact OG1-NE 2.77Å
56	I	97	Very high	98	Very high	14 Å²	14	27 Å²	27	7%	0.072	14%	0.143	C	C	.	.	S	Bend	trans	-121.5	145.1	-172.6	-71.9	-80.3	0	0	0	108.8	T53 Y60 C93 R95 F113	T53-I56 PolarHBondContact O-N 2.94Å; T53-I56 VanDerWaalsContact O-N 3.1Å; I56-Y60 HydrophobicContact CG2-CD2 4.38Å; I56-Y60 HydrophobicContact CG2-CG 4.2Å; I56-C93 HydrophobicContact CD1-CB 3.42Å; I56-C93 VanDerWaalsContact CD1-CB 3.42Å; I56-R95 HydrophobicContact CD1-CG 4.24Å; I56-R95 VanDerWaalsContact CD1-NH2 3.26Å; I56-R95 HydrophobicContact CG1-CG 4.21Å; I56-F113 HydrophobicContact CB-CD1 4.4Å; I56-F113 HydrophobicContact CB-CE1 4.45Å; I56-F113 HydrophobicContact CD1-CB 4.42Å; I56-F113 HydrophobicContact CD1-CD2 3.94Å; I56-F113 HydrophobicContact CD1-CE2 4.34Å; I56-F113 HydrophobicContact CD1-CG 4.05Å; I56-F113 HydrophobicContact CG1-CD1 4.08Å; I56-F113 HydrophobicContact CG1-CD2 4.06Å; I56-F113 HydrophobicContact CG1-CE1 4.06Å; I56-F113 HydrophobicContact CG1-CE2 4.05Å; I56-F113 HydrophobicContact CG1-CG 4.09Å; I56-F113 HydrophobicContact CG1-CZ 4.06Å; I56-F113 HydrophobicContact CG2-CD1 3.99Å; I56-F113 HydrophobicContact CG2-CE1 4.49Å; I56-F113 HydrophobicContact CG2-CG 4.32Å
57	D	96.5	Very high	98	Very high	106 Å²	106	27 Å²	27	57%	0.567	14%	0.143	S	C	*	.			trans	-64.9	146.7	174.5	-179.8	-90.2	0	0	0	111.6	A59 Y60	D57-A59 PolarHBondContact O-N 2.78Å; D57-A59 VanDerWaalsContact O-N 3.1Å; D57-A59 WeakPolarHBondContact OD1-CB 3.44Å; D57-A59 PolarHBondContact OD1-N 2.84Å; D57-Y60 HydrophobicContact CB-CD2 3.98Å; D57-Y60 HydrophobicContact CB-CE2 4.15Å; D57-Y60 PolarHBondContact O-N 2.84Å
58	D	95.7	Very high	98	Very high	122 Å²	122	34 Å²	34	65%	0.652	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.7	-174.6	-66.5	-13.9	0	0	0	114.1	Y60 R205	D58-Y60 PolarHBondContact O-N 2.97Å; D58-R205 IonicContact OD1-CZ 2.76Å; D58-R205 IonicContact OD1-NH1 3.39Å; D58-R205 PolarHBondContact OD1-NH1 2.9Å; D58-R205 IonicContact OD1-NH2 3.95Å; D58-R205 PolarHBondContact OD1-NH2 3.39Å
59	A	96.3	Very high	98	Very high	49 Å²	49	36 Å²	36	41%	0.405	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.6	172.7	0	0	0	0	0	113.5	D57 K115	D57-A59 PolarHBondContact O-N 2.78Å; D57-A59 VanDerWaalsContact O-N 3.1Å; D57-A59 WeakPolarHBondContact OD1-CB 3.44Å; D57-A59 PolarHBondContact OD1-N 2.84Å; A59-K115 HydrophobicContact CB-CG 4.4Å
60	Y	98.3	Very high	97.9	Very high	23 Å²	23	39.9 Å²	39.9	9%	0.09	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	146.4	-177.9	-57.3	-107.7	0	0	0	111.9	I56 D57 D58 G89 N90 C93 Q114 K115 R205	I56-Y60 HydrophobicContact CG2-CD2 4.38Å; I56-Y60 HydrophobicContact CG2-CG 4.2Å; D57-Y60 HydrophobicContact CB-CD2 3.98Å; D57-Y60 HydrophobicContact CB-CE2 4.15Å; D57-Y60 PolarHBondContact O-N 2.84Å; D58-Y60 PolarHBondContact O-N 2.97Å; Y60-G89 PolarHBondContact OH-O 3.37Å; Y60-N90 PolarHBondContact OH-O 3.34Å; Y60-C93 HydrophobicContact CD1-CB 4.44Å; Y60-C93 WeakPolarHBondContact CE1-SG 3.37Å; Y60-Q114 CarbonylContact C-O 3.56Å; Y60-Q114 WeakPolarHBondContact CA-O 3.38Å; Y60-K115 HydrophobicContact CD1-CG 3.84Å; Y60-K115 HydrophobicContact CD2-CG 4.33Å; Y60-K115 HydrophobicContact CE1-CD 4.31Å; Y60-K115 HydrophobicContact CE1-CG 3.81Å; Y60-K115 VanDerWaalsContact CE2-CE 3.45Å; Y60-K115 HydrophobicContact CE2-CG 4.29Å; Y60-K115 HydrophobicContact CG-CG 4.1Å; Y60-K115 WeakPolarHBondContact OH-CE 3.47Å; Y60-K115 PolarHBondContact OH-NZ 3.5Å; Y60-K115 VanDerWaalsContact OH-NZ 3.13Å; Y60-R205 WeakPolarHBondContact O-CD 3.47Å
61	H	98.2	Very high	97.8	Very high	12 Å²	12	44 Å²	44	6%	0.056	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	151.8	174.9	66.4	89.7	0	0	0	110.7	H63 F113 Q114 D116 R205 L208 N249	H61-H63 PolarHBondContact O-N 2.9Å; H61-F113 CarbonylContact O-C 3.5Å; H61-F113 WeakPolarHBondContact O-CA 3.37Å; H61-Q114 PolarHBondContact CD2-O 3.04Å; H61-Q114 PolarHBondContact CE1-NE2 3.21Å; H61-Q114 PolarHBondContact N-O 2.77Å; H61-Q114 WeakPolarHBondContact NE2-CG 3.27Å; H61-Q114 PolarHBondContact O-N 3.05Å; H61-D116 IonicContact CD2-OD1 3.54Å; H61-D116 IonicContact NE2-OD1 3.52Å; H61-D116 PolarHBondContact NE2-OD1 2.9Å; H61-R205 HydrophobicContact CB-CG 4.3Å; H61-L208 HydrophobicContact CB-CD1 3.91Å; H61-N249 HydrophobicContact CB-CB 4.48Å; H61-N249 PolarHBondContact CD2-ND2 2.89Å; H61-N249 VanDerWaalsContact CG-ND2 3.29Å; H61-N249 PolarHBondContact NE2-ND2 3.14Å
62	P	98.5	Very high	97.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	134.7	170.1	-22.5	29.5	0	0	0	111.2	M49 I111 F113 L208 F246	M49-P62 HydrophobicContact CE-CB 4.17Å; M49-P62 HydrophobicContact CE-CG 4Å; M49-P62 HydrophobicContact CG-CB 4.42Å; M49-P62 HydrophobicContact CG-CG 3.96Å; M49-P62 HydrophobicContact SD-CB 3.63Å; M49-P62 HydrophobicContact SD-CG 3.73Å; P62-I111 HydrophobicContact CB-CG2 4.42Å; P62-F113 HydrophobicContact CB-CD1 4.46Å; P62-F113 HydrophobicContact CB-CE1 4.39Å; P62-F113 HydrophobicContact CG-CD1 3.97Å; P62-F113 HydrophobicContact CG-CE1 3.64Å; P62-F113 HydrophobicContact CG-CZ 4.46Å; P62-L208 HydrophobicContact CB-CD1 4.46Å; P62-L208 HydrophobicContact CG-CD1 4.3Å; P62-F246 HydrophobicContact CB-CD2 4.33Å; P62-F246 HydrophobicContact CB-CE2 4.38Å
63	H	98.3	Very high	97.3	Very high	33 Å²	33	46.6 Å²	46.6	15%	0.153	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	-21.1	168.7	74.8	83.7	0	0	0	112.6	H61 F92 S112 Q114 W245 F246	H61-H63 PolarHBondContact O-N 2.9Å; H63-F92 AromaticContact NE2-CD1 3.64Å; H63-F92 AromaticContact NE2-CE1 3.9Å; H63-S112 VanDerWaalsContact CD2-C 3.49Å; H63-S112 PolarHBondContact CD2-O 2.73Å; H63-S112 VanDerWaalsContact CD2-O 3.24Å; H63-S112 PolarHBondContact CE1-OG 2.95Å; H63-S112 PolarHBondContact N-O 3.45Å; H63-S112 WeakPolarHBondContact NE2-CB 3.36Å; H63-S112 PolarHBondContact NE2-OG 3.3Å; H63-Q114 HydrophobicContact CB-CG 3.89Å; H63-W245 CarbonylContact O-C 3.55Å; H63-W245 WeakPolarHBondContact O-CA 3.44Å; H63-F246 PolarHBondContact O-N 2.75Å
64	S	98.7	Very high	97.1	Very high	11 Å²	11	49 Å²	49	8%	0.077	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	156.2	169.7	67.3	0	0	0	0	112.4	S112 M244	S64-S112 PolarHBondContact N-O 3Å; S64-S112 PolarHBondContact O-N 2.77Å; S64-M244 CarbonylContact C-O 3.59Å; S64-M244 WeakPolarHBondContact CA-O 3.48Å; S64-M244 WeakPolarHBondContact CB-O 3.37Å
65	L	98.6	Very high	96.9	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	142.2	174.1	166.5	163.4	0	0	0	109.7	V45 M49 C67 C109 E110 I111 S243 M244	V45-L65 HydrophobicContact CG1-CD1 4.32Å; V45-L65 HydrophobicContact CG1-CD2 4.31Å; M49-L65 HydrophobicContact CB-CD1 4.27Å; M49-L65 HydrophobicContact SD-CD1 4.24Å; L65-C67 HydrophobicContact CD2-CB 4.06Å; L65-C109 WeakPolarHBondContact CD1-SG 3.45Å; L65-C109 WeakPolarHBondContact CG-SG 3.3Å; L65-E110 CarbonylContact C-O 3.53Å; L65-E110 VanDerWaalsContact CA-O 3.27Å; L65-E110 WeakPolarHBondContact CA-O 3.34Å; L65-I111 HydrophobicContact CB-CG1 4.19Å; L65-I111 HydrophobicContact CB-CG2 4.42Å; L65-I111 HydrophobicContact CD1-CD1 3.69Å; L65-I111 HydrophobicContact CD1-CG1 3.75Å; L65-I111 HydrophobicContact CG-CD1 4.44Å; L65-I111 HydrophobicContact CG-CG1 3.95Å; L65-S243 CarbonylContact O-C 3.53Å; L65-S243 WeakPolarHBondContact O-CA 3.35Å; L65-M244 HydrophobicContact CB-CG 3.55Å; L65-M244 HydrophobicContact CB-SD 3.88Å; L65-M244 HydrophobicContact CD1-SD 4.21Å; L65-M244 HydrophobicContact CD2-CE 3.94Å; L65-M244 HydrophobicContact CD2-CG 4.07Å; L65-M244 HydrophobicContact CD2-SD 4.15Å; L65-M244 HydrophobicContact CG-CG 4.31Å; L65-M244 HydrophobicContact CG-SD 4.31Å; L65-M244 PolarHBondContact N-O 3.44Å; L65-M244 PolarHBondContact O-N 3.04Å
66	H	98.8	Very high	96.6	Very high	72 Å²	72	54.3 Å²	54.3	33%	0.333	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	128.1	174.6	-55.7	-74.4	0	0	0	109	C109 E110 S243 W245	H66-C109 CarbonylContact O-C 3.44Å; H66-C109 WeakPolarHBondContact O-CA 3.36Å; H66-E110 PolarHBondContact N-O 2.91Å; H66-E110 PolarHBondContact O-N 2.88Å; H66-S243 WeakPolarHBondContact ND1-CB 3.31Å; H66-S243 PolarHBondContact ND1-OG 3.23Å; H66-W245 AromaticContact CE1-CE2 3.78Å; H66-W245 AromaticContact CE1-CZ2 3.5Å; H66-W245 AromaticContact CE1-NE1 3.92Å
67	C	98.8	Very high	96.5	Very high	2 Å²	2	57 Å²	57	1%	0.014	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	158.8	-177.7	66.3	0	0	0	0	114.2	L65 F107 T108 C109 D241 H242	L65-C67 HydrophobicContact CD2-CB 4.06Å; C67-F107 HydrophobicContact CB-CD2 4.31Å; C67-F107 HydrophobicContact CB-CE1 4.17Å; C67-F107 HydrophobicContact CB-CE2 3.38Å; C67-F107 HydrophobicContact CB-CZ 3.28Å; C67-F107 WeakPolarHBondContact SG-CE2 3.36Å; C67-T108 CarbonylContact C-O 3.54Å; C67-T108 WeakPolarHBondContact CA-O 3.39Å; C67-T108 VanDerWaalsContact CB-O 3.24Å; C67-T108 WeakPolarHBondContact CB-O 3.39Å; C67-C109 HydrophobicContact CB-CB 3.69Å; C67-D241 CarbonylContact O-C 3.52Å; C67-D241 WeakPolarHBondContact O-CA 3.29Å; C67-D241 VanDerWaalsContact O-CB 3.26Å; C67-D241 WeakPolarHBondContact O-CB 3.37Å; C67-H242 PolarHBondContact N-O 3.24Å; C67-H242 PolarHBondContact O-N 3.41Å; C67-H242 PolarHBondContact SG-O 2.88Å
68	Y	98.7	Very high	96.5	Very high	147 Å²	147	55 Å²	55	58%	0.576	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.5	174.7	-67.8	-78	0	0	0	110.4	F107 T108 D241	Y68-F107 WeakPolarHBondContact O-CA 3.09Å; Y68-F107 VanDerWaalsContact O-CD2 3.32Å; Y68-F107 WeakPolarHBondContact O-CD2 3.32Å; Y68-T108 PolarHBondContact N-O 2.79Å; Y68-T108 PolarHBondContact O-N 3.03Å; Y68-D241 HydrophobicContact CD1-CB 3.76Å; Y68-D241 HydrophobicContact CE1-CB 3.92Å
69	F	97.7	Very high	96.7	Very high	41 Å²	41	49.1 Å²	49.1	18%	0.18	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	109.5	169.4	-59.4	-80.5	0	0	0	108.6	V45 F107 S239 L240 H242	V45-F69 HydrophobicContact CG2-CE1 3.97Å; V45-F69 HydrophobicContact CG2-CZ 3.7Å; F69-F107 AromaticContact CD1-CD2 3.77Å; F69-F107 HydrophobicContact CD1-CD2 3.77Å; F69-F107 HydrophobicContact CD1-CE2 4.17Å; F69-F107 AromaticContact CE1-CD2 3.97Å; F69-F107 HydrophobicContact CE1-CD2 3.97Å; F69-F107 AromaticContact CE1-CE2 3.93Å; F69-F107 HydrophobicContact CE1-CE2 3.93Å; F69-F107 HydrophobicContact CG-CD2 4.39Å; F69-F107 HydrophobicContact CZ-CE2 4.39Å; F69-S239 VanDerWaalsContact CE2-CB 3.45Å; F69-L240 PolarHBondContact N-O 2.95Å; F69-H242 HydrophobicContact CE2-CB 3.96Å; F69-H242 HydrophobicContact CZ-CB 4.37Å
70	I	97.4	Very high	96.8	Very high	82 Å²	82	49.4 Å²	49.4	42%	0.421	25%	0.253	S	S	.	.			trans	-94	-50.4	-171.4	-53	173.2	0	0	0	110.4	N105 I106 T108	I70-N105 HydrophobicContact CD1-CB 4.05Å; I70-I106 WeakPolarHBondContact CA-O 3.37Å; I70-I106 WeakPolarHBondContact CB-O 3.42Å; I70-I106 PolarHBondContact N-O 2.8Å; I70-T108 HydrophobicContact CD1-CG2 3.74Å
71	L	95.7	Very high	96.8	Very high	97 Å²	97	48.3 Å²	48.3	51%	0.508	25%	0.249	S	C	.	.	S	Bend	trans	-134.7	149.6	-179.9	-60.5	172.3	0	0	0	109.8	A73 A104 I106	L71-A73 PolarHBondContact O-N 3.05Å; L71-A104 HydrophobicContact CD1-CB 3.98Å; L71-I106 HydrophobicContact CB-CB 4.35Å; L71-I106 HydrophobicContact CB-CG2 4.12Å; L71-I106 PolarHBondContact N-O 3.49Å
72	G	92.9	Very high	96.8	Very high	46 Å²	46	49.5 Å²	49.5	47%	0.474	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-65.2	116.1	172.1	0	0	0	0	0	110.2
73	A	94.2	Very high	96.8	Very high	7 Å²	7	49.8 Å²	49.8	6%	0.058	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-67.7	135.1	179.3	0	0	0	0	0	111.4	R38 V39 L71 I79 I106	R38-A73 CarbonylContact C-O 3.57Å; R38-A73 WeakPolarHBondContact CA-O 3.48Å; V39-A73 HydrophobicContact CB-CB 3.88Å; V39-A73 HydrophobicContact CG2-CB 3.74Å; V39-A73 PolarHBondContact N-O 2.71Å; L71-A73 PolarHBondContact O-N 3.05Å; A73-I79 HydrophobicContact CB-CD1 4.03Å; A73-I106 HydrophobicContact CB-CD1 3.4Å
74	D	94.2	Very high	96.9	Very high	63 Å²	63	53.2 Å²	53.2	34%	0.337	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-81.2	120.3	176.8	-174.8	-11.1	0	0	0	110.7	N76 M77 Q101	D74-N76 PolarHBondContact O-N 3.22Å; D74-N76 WeakPolarHBondContact OD1-CB 3.5Å; D74-N76 PolarHBondContact OD1-N 2.91Å; D74-N76 PolarHBondContact OD1-ND2 3.2Å; D74-M77 HydrophobicContact CB-CB 4.43Å; D74-M77 PolarHBondContact O-N 3.31Å; D74-M77 VanDerWaalsContact O-O 3.05Å; D74-Q101 PolarHBondContact O-NE2 3.34Å
75	R	92	Very high	96.8	Very high	92 Å²	92	58.9 Å²	58.9	35%	0.347	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.6	178.5	74.8	-175.5	-170.1	-176.9	5.1	114.1	L29 N36 P37 V39 M77	L29-R75 HydrophobicContact CB-CB 4.38Å; N36-R75 PolarHBondContact O-NH1 3.38Å; P37-R75 WeakPolarHBondContact O-CB 3.43Å; P37-R75 WeakPolarHBondContact O-CG 3.47Å; P37-R75 PolarHBondContact O-N 3.47Å; V39-R75 HydrophobicContact CG2-CB 4.09Å; R75-M77 VanDerWaalsContact C-N 3.32Å
76	N	93.1	Very high	96.8	Very high	122 Å²	122	62.5 Å²	62.5	65%	0.652	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-2.1	-178.6	-50.3	-64.7	0	0	0	112.7	D74	D74-N76 PolarHBondContact O-N 3.22Å; D74-N76 WeakPolarHBondContact OD1-CB 3.5Å; D74-N76 PolarHBondContact OD1-N 2.91Å; D74-N76 PolarHBondContact OD1-ND2 3.2Å
77	M	94.5	Very high	96.8	Very high	69 Å²	69	67 Å²	67	34%	0.34	33%	0.332	S	S	.	.	S	Bend	trans	-123.8	133.5	178.6	-174.8	177.6	-67.6	0	0	109.8	L29 D74 R75 I79 Q101 N102	L29-M77 WeakPolarHBondContact CD1-O 3.35Å; D74-M77 HydrophobicContact CB-CB 4.43Å; D74-M77 PolarHBondContact O-N 3.31Å; D74-M77 VanDerWaalsContact O-O 3.05Å; R75-M77 VanDerWaalsContact C-N 3.32Å; M77-I79 PolarHBondContact O-N 2.87Å; M77-Q101 PolarHBondContact O-NE2 3.46Å; M77-Q101 HydrophobicContact SD-CB 4.02Å; M77-N102 HydrophobicContact CE-CB 4.13Å; M77-N102 HydrophobicContact SD-CB 3.92Å; M77-N102 PolarHBondContact SD-N 2.94Å
78	P	96.6	Very high	96.8	Very high	64 Å²	64	71.6 Å²	71.6	42%	0.416	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-59.3	141.5	174	-22.7	33.2	0	0	0	111.9	R25 S26	R25-P78 HydrophobicContact CG-CB 3.73Å; S26-P78 WeakPolarHBondContact OG-CA 3.08Å
79	I	98.4	Very high	96.7	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-85.2	130.4	169.2	-58.6	171.9	0	0	0	108.4	R25 S26 L29 V39 V44 A73 M77 Y81 A99 Q101 I106	R25-I79 WeakPolarHBondContact CA-O 3.21Å; S26-I79 PolarHBondContact N-O 2.9Å; S26-I79 PolarHBondContact OG-N 2.99Å; L29-I79 HydrophobicContact CD1-CD1 4.31Å; L29-I79 HydrophobicContact CD1-CG1 4.03Å; L29-I79 HydrophobicContact CD2-CD1 3.72Å; L29-I79 HydrophobicContact CD2-CG1 4.15Å; V39-I79 HydrophobicContact CG2-CD1 4.43Å; V44-I79 HydrophobicContact CG2-CD1 3.97Å; A73-I79 HydrophobicContact CB-CD1 4.03Å; M77-I79 PolarHBondContact O-N 2.87Å; I79-Y81 HydrophobicContact CB-CE2 3.81Å; I79-Y81 HydrophobicContact CG2-CD2 4.03Å; I79-Y81 HydrophobicContact CG2-CE1 4.05Å; I79-Y81 HydrophobicContact CG2-CE2 3.48Å; I79-Y81 VanDerWaalsContact CG2-CE2 3.48Å; I79-Y81 VanDerWaalsContact CG2-CZ 3.49Å; I79-A99 HydrophobicContact CG2-CB 3.72Å; I79-Q101 HydrophobicContact CB-CG 4.48Å; I79-Q101 HydrophobicContact CG1-CG 4.01Å; I79-I106 HydrophobicContact CD1-CD1 3.88Å; I79-I106 HydrophobicContact CG1-CD1 3.94Å; I79-I106 HydrophobicContact CG2-CD1 3.95Å
80	I	98.6	Very high	96.6	Very high	55 Å²	55	69.5 Å²	69.5	28%	0.282	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.7	171.4	-54.6	-58	0	0	0	109	I23 Y24 R25 A99 I100	I23-I80 HydrophobicContact CG2-CG2 3.71Å; Y24-I80 CarbonylContact O-C 3.55Å; Y24-I80 WeakPolarHBondContact O-CA 3.32Å; R25-I80 HydrophobicContact CB-CD1 3.86Å; R25-I80 HydrophobicContact CG-CD1 3.74Å; I80-A99 CarbonylContact O-C 3.49Å; I80-A99 WeakPolarHBondContact O-CA 3.21Å; I80-I100 HydrophobicContact CB-CB 4.46Å; I80-I100 PolarHBondContact N-O 2.98Å; I80-I100 PolarHBondContact O-N 2.68Å
81	Y	98.8	Very high	96.6	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	110.8	174.9	-64.3	-88.7	0	0	0	109.5	L16 I23 Y24 V44 Q47 A48 A51 I79 V97 K98 A99	L16-Y81 HydrophobicContact CD1-CD2 4.11Å; L16-Y81 HydrophobicContact CD2-CD2 4.21Å; L16-Y81 HydrophobicContact CD2-CE2 4.12Å; I23-Y81 WeakPolarHBondContact CA-O 3.38Å; Y24-Y81 PolarHBondContact N-O 2.9Å; Y24-Y81 PolarHBondContact O-N 2.9Å; V44-Y81 WeakPolarHBondContact CA-OH 3.43Å; V44-Y81 HydrophobicContact CG1-CE1 4.33Å; Q47-Y81 HydrophobicContact CB-CE1 4.14Å; Q47-Y81 HydrophobicContact CB-CE2 3.76Å; Q47-Y81 VanDerWaalsContact CB-CZ 3.48Å; Q47-Y81 WeakPolarHBondContact CB-OH 3.43Å; Q47-Y81 VanDerWaalsContact OE1-CE2 3.3Å; Q47-Y81 PolarHBondContact OE1-OH 2.86Å; A48-Y81 HydrophobicContact CB-CD1 4.02Å; A48-Y81 HydrophobicContact CB-CE1 3.87Å; A51-Y81 HydrophobicContact CB-CG 4.28Å; I79-Y81 HydrophobicContact CB-CE2 3.81Å; I79-Y81 HydrophobicContact CG2-CD2 4.03Å; I79-Y81 HydrophobicContact CG2-CE1 4.05Å; I79-Y81 HydrophobicContact CG2-CE2 3.48Å; I79-Y81 VanDerWaalsContact CG2-CE2 3.48Å; I79-Y81 VanDerWaalsContact CG2-CZ 3.49Å; Y81-V97 HydrophobicContact CD1-CG1 4Å; Y81-K98 CarbonylContact C-O 3.54Å; Y81-K98 WeakPolarHBondContact CA-O 3.48Å; Y81-A99 HydrophobicContact CD1-CB 3.95Å; Y81-A99 HydrophobicContact CE1-CB 3.73Å
82	S	98.8	Very high	96.7	Very high	36 Å²	36	67.4 Å²	67.4	25%	0.252	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.4	172.4	178.9	0	0	0	0	109.5	I23 V97 K98	I23-S82 WeakPolarHBondContact CD1-OG 3.27Å; S82-V97 WeakPolarHBondContact O-CA 3.38Å; S82-K98 PolarHBondContact N-O 3.29Å; S82-K98 PolarHBondContact O-N 3.15Å
83	V	98.9	Very high	97	Very high	7 Å²	7	65.4 Å²	65.4	4%	0.042	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	123.6	-178.5	-176.4	0	0	0	0	110	N22 Y24 A51 T55 R95 V97	N22-V83 HydrophobicContact CB-CB 4.12Å; N22-V83 WeakPolarHBondContact CB-O 3.31Å; N22-V83 PolarHBondContact O-N 3.12Å; Y24-V83 HydrophobicContact CD2-CG2 4.11Å; Y24-V83 HydrophobicContact CE2-CG2 4.05Å; A51-V83 HydrophobicContact CB-CG2 3.86Å; T55-V83 HydrophobicContact CG2-CB 4.23Å; T55-V83 HydrophobicContact CG2-CG1 3.99Å; V83-R95 HydrophobicContact CG1-CB 4.17Å; V83-R95 HydrophobicContact CG1-CG 4.24Å; V83-V97 HydrophobicContact CG2-CG1 4.36Å; V83-V97 HydrophobicContact CG2-CG2 4.24Å
84	E	98.7	Very high	97.2	Very high	105 Å²	105	66.6 Å²	66.6	49%	0.491	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.6	171.2	-177.6	-179	152.9	0	0	109.8	V86 R95 F96	E84-V86 HydrophobicContact CG-CG2 4.42Å; E84-V86 PolarHBondContact O-N 2.9Å; E84-R95 WeakPolarHBondContact O-CA 3.43Å; E84-R95 WeakPolarHBondContact O-CD 3.45Å; E84-F96 HydrophobicContact CB-CB 4.2Å; E84-F96 PolarHBondContact N-O 2.69Å; E84-F96 PolarHBondContact O-N 3.04Å
85	R	98.5	Very high	97.4	Very high	129 Å²	129	63.7 Å²	63.7	49%	0.487	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	81.2	177	-58.5	-173.2	-176.6	-154.7	-1.1	110	N22 R87	N22-R85 PolarHBondContact OD1-NE 3Å; N22-R85 PolarHBondContact OD1-NH2 2.95Å; N22-R85 VanDerWaalsContact OD1-NH2 3.16Å; R85-R87 VanDerWaalsContact C-N 3.34Å; R85-R87 PolarHBondContact O-N 2.83Å
86	V	98.5	Very high	97.8	Very high	76 Å²	76	61.3 Å²	61.3	46%	0.461	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	-43.2	-176.4	179	0	0	0	0	111.5	E84 T94 F96	E84-V86 HydrophobicContact CG-CG2 4.42Å; E84-V86 PolarHBondContact O-N 2.9Å; V86-T94 HydrophobicContact CB-CG2 4.04Å; V86-T94 HydrophobicContact CG1-CG2 4.19Å; V86-T94 HydrophobicContact CG2-CG2 4.48Å; V86-T94 PolarHBondContact N-O 3.4Å; V86-F96 HydrophobicContact CG2-CB 3.71Å
87	R	98.1	Very high	98.1	Very high	167 Å²	167	55.5 Å²	55.5	63%	0.63	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.3	137	179.8	-176.4	178.1	174.9	120.9	-1	111.9	R85 C93 T94 R95	R85-R87 VanDerWaalsContact C-N 3.34Å; R85-R87 PolarHBondContact O-N 2.83Å; R87-C93 CarbonylContact O-C 3.45Å; R87-C93 VanDerWaalsContact O-CA 3.29Å; R87-C93 WeakPolarHBondContact O-CA 3.23Å; R87-T94 PolarHBondContact N-O 2.92Å; R87-T94 PolarHBondContact O-N 2.75Å; R87-R95 PolarHBondContact O-NH1 3.47Å
88	D	98.1	Very high	98.3	Very high	98 Å²	98	55.8 Å²	55.8	52%	0.524	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	93.6	167.1	-71.1	-28.6	0	0	0	108.9	R95	D88-R95 IonicContact OD1-CZ 4Å; D88-R95 IonicContact OD1-NH1 3.49Å; D88-R95 PolarHBondContact OD1-NH1 2.86Å; D88-R95 IonicContact OD1-NH2 2.9Å; D88-R95 PolarHBondContact OD1-NH2 3.34Å; D88-R95 IonicContact OD2-NH2 3.75Å
89	G	97.2	Very high	98.4	Very high	15 Å²	15	52.8 Å²	52.8	16%	0.155	26%	0.26	C	S	.	.			trans	-103	170.1	-179.8	0	0	0	0	0	112.6	Y60 F92	Y60-G89 PolarHBondContact OH-O 3.37Å; G89-F92 CarbonylContact C-O 3.58Å; G89-F92 WeakPolarHBondContact CA-O 3.48Å; G89-F92 PolarHBondContact N-O 3.25Å
90	N	96.5	Very high	98.4	Very high	129 Å²	129	54.7 Å²	54.7	69%	0.69	27%	0.27	S	S	*	.	S	Bend	trans	-67.7	-44.8	-178.3	-174	51.5	0	0	0	113.2	Y60 K115	Y60-N90 PolarHBondContact OH-O 3.34Å; N90-K115 WeakPolarHBondContact O-CD 3.21Å; N90-K115 WeakPolarHBondContact O-CE 3.38Å; N90-K115 PolarHBondContact O-NZ 3.43Å
91	S	96.8	Very high	98.3	Very high	39 Å²	39	52.7 Å²	52.7	27%	0.273	26%	0.259	S	S	.	.	S	Bend	trans	-97.8	-33.8	178	-64.3	0	0	0	0	113	Q114 K115 E117	S91-Q114 VanDerWaalsContact O-CA 3.32Å; S91-Q114 WeakPolarHBondContact O-CA 3.47Å; S91-K115 PolarHBondContact O-N 3.41Å; S91-E117 PolarHBondContact OG-OE1 2.92Å; S91-E117 VanDerWaalsContact OG-OE1 3.13Å
92	F	98.3	Very high	98.2	Very high	96 Å²	96	59.7 Å²	59.7	42%	0.421	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.3	-175.5	-60.2	-83	0	0	0	112.1	H63 G89 F113 Q114	H63-F92 AromaticContact NE2-CD1 3.64Å; H63-F92 AromaticContact NE2-CE1 3.9Å; G89-F92 CarbonylContact C-O 3.58Å; G89-F92 WeakPolarHBondContact CA-O 3.48Å; G89-F92 PolarHBondContact N-O 3.25Å; F92-F113 CarbonylContact C-O 3.55Å; F92-F113 WeakPolarHBondContact CA-O 3.49Å; F92-Q114 HydrophobicContact CD1-CB 3.7Å; F92-Q114 HydrophobicContact CE1-CB 3.62Å
93	C	98.6	Very high	98	Very high	4 Å²	4	61.6 Å²	61.6	3%	0.027	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150.3	171	-64.3	0	0	0	0	109.8	I56 Y60 R87 F113	I56-C93 HydrophobicContact CD1-CB 3.42Å; I56-C93 VanDerWaalsContact CD1-CB 3.42Å; Y60-C93 HydrophobicContact CD1-CB 4.44Å; Y60-C93 WeakPolarHBondContact CE1-SG 3.37Å; R87-C93 CarbonylContact O-C 3.45Å; R87-C93 VanDerWaalsContact O-CA 3.29Å; R87-C93 WeakPolarHBondContact O-CA 3.23Å; C93-F113 HydrophobicContact CB-CB 4.26Å; C93-F113 PolarHBondContact N-O 3.42Å; C93-F113 PolarHBondContact O-N 3.46Å
94	T	98.8	Very high	97.9	Very high	33 Å²	33	63.1 Å²	63.1	20%	0.202	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.1	-177.7	-50.2	0	0	0	0	110.1	V86 R87 I111	V86-T94 HydrophobicContact CB-CG2 4.04Å; V86-T94 HydrophobicContact CG1-CG2 4.19Å; V86-T94 HydrophobicContact CG2-CG2 4.48Å; V86-T94 PolarHBondContact N-O 3.4Å; R87-T94 PolarHBondContact N-O 2.92Å; R87-T94 PolarHBondContact O-N 2.75Å; T94-I111 WeakPolarHBondContact CA-O 3.5Å
95	R	98.8	Very high	97.9	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.008	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.7	175.2	-62	-62.8	-179.3	-100	6.7	110.4	A52 T55 I56 V83 E84 R87 D88 E110 I111 F113	A52-R95 HydrophobicContact CB-CB 3.93Å; A52-R95 HydrophobicContact CB-CG 4.11Å; T55-R95 PolarHBondContact O-NH2 2.81Å; T55-R95 WeakPolarHBondContact OG1-CD 3.35Å; T55-R95 PolarHBondContact OG1-NE 2.77Å; I56-R95 HydrophobicContact CD1-CG 4.24Å; I56-R95 VanDerWaalsContact CD1-NH2 3.26Å; I56-R95 HydrophobicContact CG1-CG 4.21Å; V83-R95 HydrophobicContact CG1-CB 4.17Å; V83-R95 HydrophobicContact CG1-CG 4.24Å; E84-R95 WeakPolarHBondContact O-CA 3.43Å; E84-R95 WeakPolarHBondContact O-CD 3.45Å; R87-R95 PolarHBondContact O-NH1 3.47Å; D88-R95 IonicContact OD1-CZ 4Å; D88-R95 IonicContact OD1-NH1 3.49Å; D88-R95 PolarHBondContact OD1-NH1 2.86Å; D88-R95 IonicContact OD1-NH2 2.9Å; D88-R95 PolarHBondContact OD1-NH2 3.34Å; D88-R95 IonicContact OD2-NH2 3.75Å; R95-E110 WeakPolarHBondContact O-CA 3.39Å; R95-I111 PolarHBondContact N-O 3.13Å; R95-I111 PolarHBondContact O-N 2.88Å; R95-F113 HydrophobicContact CB-CE2 4.02Å; R95-F113 HydrophobicContact CG-CD2 4.3Å; R95-F113 HydrophobicContact CG-CE2 3.65Å; R95-F113 HydrophobicContact CG-CZ 4.42Å
96	F	98.9	Very high	97.9	Very high	41 Å²	41	55.5 Å²	55.5	18%	0.18	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.5	167.9	-173.7	-82.5	0	0	0	108.3	E84 V86 K98 T108 C109 E110	E84-F96 HydrophobicContact CB-CB 4.2Å; E84-F96 PolarHBondContact N-O 2.69Å; E84-F96 PolarHBondContact O-N 3.04Å; V86-F96 HydrophobicContact CG2-CB 3.71Å; F96-K98 HydrophobicContact CD1-CG 4.06Å; F96-K98 HydrophobicContact CE1-CD 4.14Å; F96-K98 VanDerWaalsContact CE1-CE 3.43Å; F96-K98 HydrophobicContact CE1-CG 3.53Å; F96-T108 HydrophobicContact CE1-CG2 4.35Å; F96-T108 HydrophobicContact CZ-CG2 4.05Å; F96-C109 CarbonylContact C-O 3.56Å; F96-C109 WeakPolarHBondContact CA-O 3.48Å; F96-E110 HydrophobicContact CD2-CG 3.31Å; F96-E110 WeakPolarHBondContact CD2-OE1 3.36Å; F96-E110 HydrophobicContact CE2-CG 3.82Å; F96-E110 HydrophobicContact CG-CG 4.29Å
97	V	98.9	Very high	97.9	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.9	-176.2	-170.9	0	0	0	0	109.4	A48 A52 Y81 S82 V83 T108 C109 I111	A48-V97 HydrophobicContact CB-CB 4.49Å; A48-V97 HydrophobicContact CB-CG1 4.05Å; A52-V97 HydrophobicContact CB-CG2 3.84Å; Y81-V97 HydrophobicContact CD1-CG1 4Å; S82-V97 WeakPolarHBondContact O-CA 3.38Å; V83-V97 HydrophobicContact CG2-CG1 4.36Å; V83-V97 HydrophobicContact CG2-CG2 4.24Å; V97-T108 WeakPolarHBondContact O-CA 3.41Å; V97-C109 HydrophobicContact CB-CB 4.37Å; V97-C109 PolarHBondContact N-O 3.39Å; V97-C109 PolarHBondContact O-N 3.3Å; V97-I111 HydrophobicContact CG2-CD1 4.22Å
98	K	98.8	Very high	97.9	Very high	76 Å²	76	45.2 Å²	45.2	33%	0.33	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.2	168.4	-63.1	175.3	-175.5	167.1	0	108.6	Y81 S82 F96 I100 T108	Y81-K98 CarbonylContact C-O 3.54Å; Y81-K98 WeakPolarHBondContact CA-O 3.48Å; S82-K98 PolarHBondContact N-O 3.29Å; S82-K98 PolarHBondContact O-N 3.15Å; F96-K98 HydrophobicContact CD1-CG 4.06Å; F96-K98 HydrophobicContact CE1-CD 4.14Å; F96-K98 VanDerWaalsContact CE1-CE 3.43Å; F96-K98 HydrophobicContact CE1-CG 3.53Å; K98-I100 HydrophobicContact CB-CD1 4.11Å; K98-I100 HydrophobicContact CB-CG1 4.13Å; K98-T108 HydrophobicContact CG-CG2 4.43Å
99	A	98.7	Very high	98	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	125.4	166.1	0	0	0	0	0	108.5	V44 I79 I80 Y81 I106 F107	V44-A99 HydrophobicContact CG1-CB 4.24Å; I79-A99 HydrophobicContact CG2-CB 3.72Å; I80-A99 CarbonylContact O-C 3.49Å; I80-A99 WeakPolarHBondContact O-CA 3.21Å; Y81-A99 HydrophobicContact CD1-CB 3.95Å; Y81-A99 HydrophobicContact CE1-CB 3.73Å; A99-I106 HydrophobicContact CB-CD1 4.06Å; A99-I106 HydrophobicContact CB-CG1 3.81Å; A99-I106 WeakPolarHBondContact O-CG1 3.32Å; A99-I106 PolarHBondContact O-N 3.2Å; A99-F107 HydrophobicContact CB-CB 3.93Å; A99-F107 HydrophobicContact CB-CD1 3.98Å; A99-F107 HydrophobicContact CB-CG 4.42Å; A99-F107 PolarHBondContact N-O 3.32Å; A99-F107 PolarHBondContact O-N 3.02Å
100	I	98.6	Very high	98.1	Very high	41 Å²	41	44.9 Å²	44.9	21%	0.21	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.8	-167.8	-59.8	160.2	0	0	0	109.2	I80 K98 A104	I80-I100 HydrophobicContact CB-CB 4.46Å; I80-I100 PolarHBondContact N-O 2.98Å; I80-I100 PolarHBondContact O-N 2.68Å; K98-I100 HydrophobicContact CB-CD1 4.11Å; K98-I100 HydrophobicContact CB-CG1 4.13Å; I100-A104 WeakPolarHBondContact CA-O 3.31Å
101	Q	97.5	Very high	98.2	Very high	13 Å²	13	38.8 Å²	38.8	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.4	167.3	-72.6	-175.6	-45.9	0	0	109.1	D74 M77 I79 G103 A104 I106	D74-Q101 PolarHBondContact O-NE2 3.34Å; M77-Q101 PolarHBondContact O-NE2 3.46Å; M77-Q101 HydrophobicContact SD-CB 4.02Å; I79-Q101 HydrophobicContact CB-CG 4.48Å; I79-Q101 HydrophobicContact CG1-CG 4.01Å; Q101-G103 PolarHBondContact O-N 3.1Å; Q101-G103 VanDerWaalsContact O-N 3.1Å; Q101-A104 PolarHBondContact N-O 2.94Å; Q101-A104 PolarHBondContact O-N 3.22Å; Q101-I106 HydrophobicContact CB-CG2 4.01Å; Q101-I106 HydrophobicContact CG-CD1 4.22Å; Q101-I106 HydrophobicContact CG-CG2 4.37Å
102	N	95.6	Very high	98.3	Very high	147 Å²	147	38.1 Å²	38.1	79%	0.786	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.1	39.6	-179.8	-163.2	34	0	0	0	114	M77 A104	M77-N102 HydrophobicContact CE-CB 4.13Å; M77-N102 HydrophobicContact SD-CB 3.92Å; M77-N102 PolarHBondContact SD-N 2.94Å; N102-A104 PolarHBondContact O-N 2.85Å
103	G	95.3	Very high	98.3	Very high	76 Å²	76	33.5 Å²	33.5	78%	0.784	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.2	-1.7	-178.5	0	0	0	0	0	116	Q101	Q101-G103 PolarHBondContact O-N 3.1Å; Q101-G103 VanDerWaalsContact O-N 3.1Å
104	A	97.7	Very high	98.3	Very high	38 Å²	38	36.1 Å²	36.1	31%	0.314	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	140.5	177.3	0	0	0	0	0	111.6	L71 I100 Q101 N102 I106	L71-A104 HydrophobicContact CD1-CB 3.98Å; I100-A104 WeakPolarHBondContact CA-O 3.31Å; Q101-A104 PolarHBondContact N-O 2.94Å; Q101-A104 PolarHBondContact O-N 3.22Å; N102-A104 PolarHBondContact O-N 2.85Å; A104-I106 PolarHBondContact O-N 2.75Å
105	N	98.1	Very high	98.2	Very high	67 Å²	67	37.4 Å²	37.4	36%	0.358	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	116.6	169.7	-65.4	-29.2	0	0	0	108.8	I70	I70-N105 HydrophobicContact CD1-CB 4.05Å
106	I	98.2	Very high	98	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-23.7	175	57.6	152.4	0	0	0	111.7	I70 L71 A73 I79 A99 Q101 A104	I70-I106 WeakPolarHBondContact CA-O 3.37Å; I70-I106 WeakPolarHBondContact CB-O 3.42Å; I70-I106 PolarHBondContact N-O 2.8Å; L71-I106 HydrophobicContact CB-CB 4.35Å; L71-I106 HydrophobicContact CB-CG2 4.12Å; L71-I106 PolarHBondContact N-O 3.49Å; A73-I106 HydrophobicContact CB-CD1 3.4Å; I79-I106 HydrophobicContact CD1-CD1 3.88Å; I79-I106 HydrophobicContact CG1-CD1 3.94Å; I79-I106 HydrophobicContact CG2-CD1 3.95Å; A99-I106 HydrophobicContact CB-CD1 4.06Å; A99-I106 HydrophobicContact CB-CG1 3.81Å; A99-I106 WeakPolarHBondContact O-CG1 3.32Å; A99-I106 PolarHBondContact O-N 3.2Å; Q101-I106 HydrophobicContact CB-CG2 4.01Å; Q101-I106 HydrophobicContact CG-CD1 4.22Å; Q101-I106 HydrophobicContact CG-CG2 4.37Å; A104-I106 PolarHBondContact O-N 2.75Å
107	F	98.7	Very high	97.8	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.009	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	143.8	-175.3	165.5	-82.9	0	0	0	110.1	V44 V45 A48 C67 Y68 F69 A99 C109	V44-F107 HydrophobicContact CG1-CB 3.82Å; V44-F107 HydrophobicContact CG1-CD1 3.8Å; V44-F107 HydrophobicContact CG1-CD2 3.99Å; V44-F107 HydrophobicContact CG1-CE1 4.27Å; V44-F107 HydrophobicContact CG1-CE2 4.43Å; V44-F107 HydrophobicContact CG1-CG 3.63Å; V45-F107 HydrophobicContact CG2-CE2 3.79Å; V45-F107 HydrophobicContact CG2-CZ 3.96Å; A48-F107 HydrophobicContact CB-CD1 4.47Å; A48-F107 HydrophobicContact CB-CE1 3.62Å; A48-F107 HydrophobicContact CB-CZ 4.34Å; C67-F107 HydrophobicContact CB-CD2 4.31Å; C67-F107 HydrophobicContact CB-CE1 4.17Å; C67-F107 HydrophobicContact CB-CE2 3.38Å; C67-F107 HydrophobicContact CB-CZ 3.28Å; C67-F107 WeakPolarHBondContact SG-CE2 3.36Å; Y68-F107 WeakPolarHBondContact O-CA 3.09Å; Y68-F107 VanDerWaalsContact O-CD2 3.32Å; Y68-F107 WeakPolarHBondContact O-CD2 3.32Å; F69-F107 AromaticContact CD1-CD2 3.77Å; F69-F107 HydrophobicContact CD1-CD2 3.77Å; F69-F107 HydrophobicContact CD1-CE2 4.17Å; F69-F107 AromaticContact CE1-CD2 3.97Å; F69-F107 HydrophobicContact CE1-CD2 3.97Å; F69-F107 AromaticContact CE1-CE2 3.93Å; F69-F107 HydrophobicContact CE1-CE2 3.93Å; F69-F107 HydrophobicContact CG-CD2 4.39Å; F69-F107 HydrophobicContact CZ-CE2 4.39Å; A99-F107 HydrophobicContact CB-CB 3.93Å; A99-F107 HydrophobicContact CB-CD1 3.98Å; A99-F107 HydrophobicContact CB-CG 4.42Å; A99-F107 PolarHBondContact N-O 3.32Å; A99-F107 PolarHBondContact O-N 3.02Å; F107-C109 HydrophobicContact CD1-CB 4.15Å; F107-C109 HydrophobicContact CE1-CB 3.27Å; F107-C109 HydrophobicContact CZ-CB 3.65Å
108	T	98.8	Very high	97.7	Very high	26 Å²	26	52.1 Å²	52.1	16%	0.16	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.1	175.1	51.4	0	0	0	0	110.1	C67 Y68 I70 F96 V97 K98	C67-T108 CarbonylContact C-O 3.54Å; C67-T108 WeakPolarHBondContact CA-O 3.39Å; C67-T108 VanDerWaalsContact CB-O 3.24Å; C67-T108 WeakPolarHBondContact CB-O 3.39Å; Y68-T108 PolarHBondContact N-O 2.79Å; Y68-T108 PolarHBondContact O-N 3.03Å; I70-T108 HydrophobicContact CD1-CG2 3.74Å; F96-T108 HydrophobicContact CE1-CG2 4.35Å; F96-T108 HydrophobicContact CZ-CG2 4.05Å; V97-T108 WeakPolarHBondContact O-CA 3.41Å; K98-T108 HydrophobicContact CG-CG2 4.43Å
109	C	98.8	Very high	97.4	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.014	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	131.8	-172	171.9	0	0	0	0	112	L65 H66 C67 F96 V97 F107 I111	L65-C109 WeakPolarHBondContact CD1-SG 3.45Å; L65-C109 WeakPolarHBondContact CG-SG 3.3Å; H66-C109 CarbonylContact O-C 3.44Å; H66-C109 WeakPolarHBondContact O-CA 3.36Å; C67-C109 HydrophobicContact CB-CB 3.69Å; F96-C109 CarbonylContact C-O 3.56Å; F96-C109 WeakPolarHBondContact CA-O 3.48Å; V97-C109 HydrophobicContact CB-CB 4.37Å; V97-C109 PolarHBondContact N-O 3.39Å; V97-C109 PolarHBondContact O-N 3.3Å; F107-C109 HydrophobicContact CD1-CB 4.15Å; F107-C109 HydrophobicContact CE1-CB 3.27Å; F107-C109 HydrophobicContact CZ-CB 3.65Å; C109-I111 WeakPolarHBondContact SG-CG1 3.44Å
110	E	98.8	Very high	97.2	Very high	104 Å²	104	64 Å²	64	49%	0.486	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.7	169.9	-76.9	-179.3	-148.6	0	0	109.7	L65 H66 R95 F96	L65-E110 CarbonylContact C-O 3.53Å; L65-E110 VanDerWaalsContact CA-O 3.27Å; L65-E110 WeakPolarHBondContact CA-O 3.34Å; H66-E110 PolarHBondContact N-O 2.91Å; H66-E110 PolarHBondContact O-N 2.88Å; R95-E110 WeakPolarHBondContact O-CA 3.39Å; F96-E110 HydrophobicContact CD2-CG 3.31Å; F96-E110 WeakPolarHBondContact CD2-OE1 3.36Å; F96-E110 HydrophobicContact CE2-CG 3.82Å; F96-E110 HydrophobicContact CG-CG 4.29Å
111	I	98.9	Very high	97.1	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	127.2	-175.4	-48	-178.8	0	0	0	108.5	M49 A52 P62 L65 T94 R95 V97 C109 F113	M49-I111 HydrophobicContact CB-CD1 4.1Å; M49-I111 HydrophobicContact CG-CD1 4.14Å; A52-I111 HydrophobicContact CB-CD1 3.7Å; P62-I111 HydrophobicContact CB-CG2 4.42Å; L65-I111 HydrophobicContact CB-CG1 4.19Å; L65-I111 HydrophobicContact CB-CG2 4.42Å; L65-I111 HydrophobicContact CD1-CD1 3.69Å; L65-I111 HydrophobicContact CD1-CG1 3.75Å; L65-I111 HydrophobicContact CG-CD1 4.44Å; L65-I111 HydrophobicContact CG-CG1 3.95Å; T94-I111 WeakPolarHBondContact CA-O 3.5Å; R95-I111 PolarHBondContact N-O 3.13Å; R95-I111 PolarHBondContact O-N 2.88Å; V97-I111 HydrophobicContact CG2-CD1 4.22Å; C109-I111 WeakPolarHBondContact SG-CG1 3.44Å; I111-F113 HydrophobicContact CB-CE2 3.75Å; I111-F113 HydrophobicContact CB-CZ 4.19Å; I111-F113 HydrophobicContact CG2-CD2 4.11Å; I111-F113 HydrophobicContact CG2-CE1 4.34Å; I111-F113 HydrophobicContact CG2-CE2 3.44Å; I111-F113 VanDerWaalsContact CG2-CE2 3.44Å; I111-F113 HydrophobicContact CG2-CZ 3.57Å
112	S	98.8	Very high	97	Very high	24 Å²	24	74.8 Å²	74.8	17%	0.168	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.8	174.9	-166.6	0	0	0	0	110.1	H63 S64	H63-S112 VanDerWaalsContact CD2-C 3.49Å; H63-S112 PolarHBondContact CD2-O 2.73Å; H63-S112 VanDerWaalsContact CD2-O 3.24Å; H63-S112 PolarHBondContact CE1-OG 2.95Å; H63-S112 PolarHBondContact N-O 3.45Å; H63-S112 WeakPolarHBondContact NE2-CB 3.36Å; H63-S112 PolarHBondContact NE2-OG 3.3Å; S64-S112 PolarHBondContact N-O 3Å; S64-S112 PolarHBondContact O-N 2.77Å
113	F	98.8	Very high	97.1	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	145.5	-177.3	-60.3	-103.4	0	0	0	109.3	A52 I56 H61 P62 F92 C93 R95 I111	A52-F113 HydrophobicContact CB-CE2 4.16Å; A52-F113 HydrophobicContact CB-CZ 3.72Å; I56-F113 HydrophobicContact CB-CD1 4.4Å; I56-F113 HydrophobicContact CB-CE1 4.45Å; I56-F113 HydrophobicContact CD1-CB 4.42Å; I56-F113 HydrophobicContact CD1-CD2 3.94Å; I56-F113 HydrophobicContact CD1-CE2 4.34Å; I56-F113 HydrophobicContact CD1-CG 4.05Å; I56-F113 HydrophobicContact CG1-CD1 4.08Å; I56-F113 HydrophobicContact CG1-CD2 4.06Å; I56-F113 HydrophobicContact CG1-CE1 4.06Å; I56-F113 HydrophobicContact CG1-CE2 4.05Å; I56-F113 HydrophobicContact CG1-CG 4.09Å; I56-F113 HydrophobicContact CG1-CZ 4.06Å; I56-F113 HydrophobicContact CG2-CD1 3.99Å; I56-F113 HydrophobicContact CG2-CE1 4.49Å; I56-F113 HydrophobicContact CG2-CG 4.32Å; H61-F113 CarbonylContact O-C 3.5Å; H61-F113 WeakPolarHBondContact O-CA 3.37Å; P62-F113 HydrophobicContact CB-CD1 4.46Å; P62-F113 HydrophobicContact CB-CE1 4.39Å; P62-F113 HydrophobicContact CG-CD1 3.97Å; P62-F113 HydrophobicContact CG-CE1 3.64Å; P62-F113 HydrophobicContact CG-CZ 4.46Å; F92-F113 CarbonylContact C-O 3.55Å; F92-F113 WeakPolarHBondContact CA-O 3.49Å; C93-F113 HydrophobicContact CB-CB 4.26Å; C93-F113 PolarHBondContact N-O 3.42Å; C93-F113 PolarHBondContact O-N 3.46Å; R95-F113 HydrophobicContact CB-CE2 4.02Å; R95-F113 HydrophobicContact CG-CD2 4.3Å; R95-F113 HydrophobicContact CG-CE2 3.65Å; R95-F113 HydrophobicContact CG-CZ 4.42Å; I111-F113 HydrophobicContact CB-CE2 3.75Å; I111-F113 HydrophobicContact CB-CZ 4.19Å; I111-F113 HydrophobicContact CG2-CD2 4.11Å; I111-F113 HydrophobicContact CG2-CE1 4.34Å; I111-F113 HydrophobicContact CG2-CE2 3.44Å; I111-F113 VanDerWaalsContact CG2-CE2 3.44Å; I111-F113 HydrophobicContact CG2-CZ 3.57Å
114	Q	98	Very high	97.2	Very high	58 Å²	58	75.5 Å²	75.5	27%	0.271	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	160.4	177.2	73.1	-177.6	19.6	0	0	110.8	Y60 H61 H63 S91 F92	Y60-Q114 CarbonylContact C-O 3.56Å; Y60-Q114 WeakPolarHBondContact CA-O 3.38Å; H61-Q114 PolarHBondContact CD2-O 3.04Å; H61-Q114 PolarHBondContact CE1-NE2 3.21Å; H61-Q114 PolarHBondContact N-O 2.77Å; H61-Q114 WeakPolarHBondContact NE2-CG 3.27Å; H61-Q114 PolarHBondContact O-N 3.05Å; H63-Q114 HydrophobicContact CB-CG 3.89Å; S91-Q114 VanDerWaalsContact O-CA 3.32Å; S91-Q114 WeakPolarHBondContact O-CA 3.47Å; F92-Q114 HydrophobicContact CD1-CB 3.7Å; F92-Q114 HydrophobicContact CE1-CB 3.62Å
115	K	97.2	Very high	97.2	Very high	60 Å²	60	78.2 Å²	78.2	26%	0.261	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	157.5	163.4	-69.7	178.8	172.7	148.9	0	110.8	A59 Y60 N90 S91 E117	A59-K115 HydrophobicContact CB-CG 4.4Å; Y60-K115 HydrophobicContact CD1-CG 3.84Å; Y60-K115 HydrophobicContact CD2-CG 4.33Å; Y60-K115 HydrophobicContact CE1-CD 4.31Å; Y60-K115 HydrophobicContact CE1-CG 3.81Å; Y60-K115 VanDerWaalsContact CE2-CE 3.45Å; Y60-K115 HydrophobicContact CE2-CG 4.29Å; Y60-K115 HydrophobicContact CG-CG 4.1Å; Y60-K115 WeakPolarHBondContact OH-CE 3.47Å; Y60-K115 PolarHBondContact OH-NZ 3.5Å; Y60-K115 VanDerWaalsContact OH-NZ 3.13Å; N90-K115 WeakPolarHBondContact O-CD 3.21Å; N90-K115 WeakPolarHBondContact O-CE 3.38Å; N90-K115 PolarHBondContact O-NZ 3.43Å; S91-K115 PolarHBondContact O-N 3.41Å; K115-E117 PolarHBondContact O-N 2.92Å
116	D	95.8	Very high	97.1	Very high	94 Å²	94	81.2 Å²	81.2	50%	0.503	39%	0.389	S	S	.	.			trans	-59	125.8	164.5	-73.7	-26.2	0	0	0	108.9	H61 N249 K250	H61-D116 IonicContact CD2-OD1 3.54Å; H61-D116 IonicContact NE2-OD1 3.52Å; H61-D116 PolarHBondContact NE2-OD1 2.9Å; D116-N249 PolarHBondContact OD1-ND2 2.97Å; D116-K250 IonicContact OD1-NZ 2.89Å; D116-K250 IonicContact OD2-NZ 3.67Å; D116-K250 PolarHBondContact OD2-NZ 2.93Å
117	E	94.7	Very high	97.1	Very high	120 Å²	120	82.7 Å²	82.7	56%	0.561	40%	0.397	S	S	*	.			trans	-120.6	162.4	177.3	-69.6	-153.6	175.7	0	0	111.6	S91 K115 Q119	S91-E117 PolarHBondContact OG-OE1 2.92Å; S91-E117 VanDerWaalsContact OG-OE1 3.13Å; K115-E117 PolarHBondContact O-N 2.92Å; E117-Q119 PolarHBondContact O-N 3.41Å
118	K	95.1	Very high	97.1	Very high	139 Å²	139	84.2 Å²	84.2	60%	0.604	41%	0.407	S	S	*	.			trans	-63.2	129.1	174.1	-177.5	175.4	173.7	-169.5	0	109.7	W120	K118-W120 HydrophobicContact CD-CD2 4.21Å; K118-W120 HydrophobicContact CD-CE3 4.35Å; K118-W120 HydrophobicContact CD-CH2 3.91Å; K118-W120 HydrophobicContact CD-CZ2 3.7Å; K118-W120 HydrophobicContact CD-CZ3 4.22Å; K118-W120 HydrophobicContact CG-CD2 4.38Å; K118-W120 VanDerWaalsContact NZ-CH2 3.34Å; K118-W120 VanDerWaalsContact NZ-CZ3 3.32Å; K118-W120 PolarHBondContact O-N 2.89Å
119	Q	92.5	Very high	97.1	Very high	131 Å²	131	93.1 Å²	93.1	61%	0.612	44%	0.443	S	S	*	.			trans	-75.3	85.9	176.7	-170.9	172.4	67.5	0	0	110.8	E117 I121 F122	E117-Q119 PolarHBondContact O-N 3.41Å; Q119-I121 WeakPolarHBondContact CG-O 3.49Å; Q119-F122 HydrophobicContact CG-CB 3.82Å; Q119-F122 HydrophobicContact CG-CD2 4.47Å; Q119-F122 HydrophobicContact CG-CG 4.44Å
120	W	96.3	Very high	97	Very high	194 Å²	194	94.6 Å²	94.6	74%	0.735	45%	0.452	S	S	*	.	S	Bend	trans	-71.7	-33.5	179.1	-66.4	105.2	0	0	0	113.4	K118	K118-W120 HydrophobicContact CD-CD2 4.21Å; K118-W120 HydrophobicContact CD-CE3 4.35Å; K118-W120 HydrophobicContact CD-CH2 3.91Å; K118-W120 HydrophobicContact CD-CZ2 3.7Å; K118-W120 HydrophobicContact CD-CZ3 4.22Å; K118-W120 HydrophobicContact CG-CD2 4.38Å; K118-W120 VanDerWaalsContact NZ-CH2 3.34Å; K118-W120 VanDerWaalsContact NZ-CZ3 3.32Å; K118-W120 PolarHBondContact O-N 2.89Å
121	I	96.1	Very high	97	Very high	150 Å²	150	92.9 Å²	92.9	77%	0.769	45%	0.45	S	S	*	.	S	Bend	trans	-132.4	147.4	174.9	59.7	173.1	0	0	0	108.8	Q119	Q119-I121 WeakPolarHBondContact CG-O 3.49Å
122	F	95.8	Very high	96.9	Very high	130 Å²	130	99.6 Å²	99.6	57%	0.57	48%	0.475	S	S	*	.			trans	-153.8	131.9	177.4	-180	-113.2	0	0	0	111.3	Q119 Q124	Q119-F122 HydrophobicContact CG-CB 3.82Å; Q119-F122 HydrophobicContact CG-CD2 4.47Å; Q119-F122 HydrophobicContact CG-CG 4.44Å; F122-Q124 HydrophobicContact CZ-CG 4.17Å
123	H	97.1	Very high	96.9	Very high	166 Å²	166	98.6 Å²	98.6	77%	0.769	47%	0.468	S	S	*	.			trans	-156.3	157.1	163	63.7	-80	0	0	0	108.1
124	Q	97.4	Very high	96.8	Very high	73 Å²	73	105 Å²	105	34%	0.341	50%	0.498	S	S	.	.			trans	-148.2	165.2	169.5	59.1	163.9	49.5	0	0	109.6	F122 G282	F122-Q124 HydrophobicContact CZ-CG 4.17Å; Q124-G282 PolarHBondContact NE2-O 3.39Å
125	N	96.3	Very high	96.8	Very high	95 Å²	95	106.1 Å²	106.1	51%	0.508	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-69.9	162.7	166.2	-67.1	105.9	0	0	0	110.8	W278	N125-W278 HydrophobicContact CB-CH2 3.93Å; N125-W278 WeakPolarHBondContact O-CZ3 3.36Å
126	T	97.7	Very high	96.9	Very high	129 Å²	129	104.3 Å²	104.3	79%	0.791	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-80.3	133.4	173.3	-51	0	0	0	0	110
127	M	98.3	Very high	96.9	Very high	39 Å²	39	101.9 Å²	101.9	19%	0.192	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-58	138.8	172.5	-174.4	178.2	69.8	0	0	110.7	L258 W278	M127-L258 HydrophobicContact CG-CD2 4.02Å; M127-L258 HydrophobicContact SD-CD2 4.21Å; M127-W278 HydrophobicContact CB-CD2 3.98Å; M127-W278 HydrophobicContact CB-CE3 3.66Å; M127-W278 HydrophobicContact CB-CG 4.43Å; M127-W278 HydrophobicContact CB-CZ3 4.03Å; M127-W278 HydrophobicContact CG-CB 3.87Å; M127-W278 HydrophobicContact CG-CD2 3.84Å; M127-W278 HydrophobicContact CG-CE3 4.03Å; M127-W278 HydrophobicContact CG-CG 3.79Å; M127-W278 HydrophobicContact SD-CB 3.65Å; M127-W278 HydrophobicContact SD-CG 4.25Å
128	P	98	Very high	96.9	Very high	34 Å²	34	97 Å²	97	22%	0.221	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-56	142.6	174	-26.1	35	0	0	0	113	V130 M191	P128-V130 HydrophobicContact CB-CG1 4.31Å; P128-V130 PolarHBondContact O-N 3.47Å; P128-M191 HydrophobicContact CB-SD 3.88Å; P128-M191 HydrophobicContact CG-SD 4.11Å
129	K	97.6	Very high	96.8	Very high	213 Å²	213	91.1 Å²	91.1	93%	0.926	45%	0.453	S	S	*	.			trans	-82.7	107.3	172.7	-66.4	-176.8	-178.1	179.8	0	109.3
130	V	98.1	Very high	96.6	Very high	33 Å²	33	87.2 Å²	87.2	20%	0.2	45%	0.448	C	S	.	.			trans	-133.2	159.1	179.3	-62.7	0	0	0	0	110.5	P128 V175 M191 W193 L258	P128-V130 HydrophobicContact CB-CG1 4.31Å; P128-V130 PolarHBondContact O-N 3.47Å; V130-V175 HydrophobicContact CB-CG1 3.83Å; V130-V175 HydrophobicContact CB-CG2 4.13Å; V130-V175 HydrophobicContact CG1-CG1 3.82Å; V130-V175 HydrophobicContact CG1-CG2 4.33Å; V130-V175 HydrophobicContact CG2-CG2 4.21Å; V130-M191 HydrophobicContact CG1-CE 4.01Å; V130-M191 HydrophobicContact CG1-SD 3.8Å; V130-W193 HydrophobicContact CG2-CZ2 4.06Å; V130-L258 HydrophobicContact CG2-CD1 3.97Å; V130-L258 HydrophobicContact CG2-CD2 3.84Å
131	P	98.2	Very high	96.5	Very high	67 Å²	67	82.2 Å²	82.2	44%	0.435	43%	0.432	S	S	.	.			trans	-52.1	141.4	168.6	-26.1	34.8	0	0	0	111.8	L136 W193	P131-L136 HydrophobicContact CB-CD2 4.05Å; P131-L136 HydrophobicContact CB-CG 4.27Å; P131-W193 PolarHBondContact O-NE1 2.91Å
132	R	97.8	Very high	96.3	Very high	142 Å²	142	75.4 Å²	75.4	54%	0.536	40%	0.398	S	S	.	.			trans	-66.8	153.2	174.1	-73	-73.2	-170.4	164.7	-1.8	110.5	E134 A135 G280	R132-E134 WeakPolarHBondContact CB-OE2 3.43Å; R132-E134 PolarHBondContact O-N 2.73Å; R132-E134 VanDerWaalsContact O-N 3.15Å; R132-A135 PolarHBondContact O-N 3.41Å; R132-G280 PolarHBondContact NH1-O 2.87Å
133	P	98	Very high	96	Very high	3 Å²	3	69.9 Å²	69.9	2%	0.019	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-60.1	-28	-174.5	21.9	-30.9	0	0	0	113.4	A135 L136 R173 W193 W256	P133-A135 PolarHBondContact O-N 2.89Å; P133-L136 PolarHBondContact O-N 2.95Å; P133-L136 VanDerWaalsContact O-N 3.13Å; P133-R173 VanDerWaalsContact O-CD 3.23Å; P133-R173 WeakPolarHBondContact O-CD 3.23Å; P133-R173 PolarHBondContact O-NH1 3.44Å; P133-W193 HydrophobicContact CB-CB 4.01Å; P133-W193 HydrophobicContact CB-CD2 4.17Å; P133-W193 HydrophobicContact CB-CG 3.83Å; P133-W193 HydrophobicContact CG-CD2 4.11Å; P133-W193 HydrophobicContact CG-CE3 4.33Å; P133-W193 HydrophobicContact CG-CG 4.3Å; P133-W256 HydrophobicContact CB-CD2 3.69Å; P133-W256 HydrophobicContact CB-CE3 4.07Å; P133-W256 HydrophobicContact CB-CG 4.06Å; P133-W256 HydrophobicContact CB-CH2 4.35Å; P133-W256 HydrophobicContact CB-CZ2 4Å; P133-W256 HydrophobicContact CB-CZ3 4.39Å; P133-W256 HydrophobicContact CG-CB 4.03Å; P133-W256 VanDerWaalsContact CG-CD1 3.47Å; P133-W256 HydrophobicContact CG-CD2 3.73Å; P133-W256 HydrophobicContact CG-CE3 4.45Å; P133-W256 HydrophobicContact CG-CG 3.51Å
134	E	97.4	Very high	95.7	Very high	135 Å²	135	68.7 Å²	68.7	63%	0.631	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-65	-24.8	177.3	-60.5	73.4	-157.1	0	0	113.1	R132 L136	R132-E134 WeakPolarHBondContact CB-OE2 3.43Å; R132-E134 PolarHBondContact O-N 2.73Å; R132-E134 VanDerWaalsContact O-N 3.15Å; E134-L136 VanDerWaalsContact C-N 3.34Å
135	A	97.6	Very high	95.4	Very high	82 Å²	82	69.7 Å²	69.7	68%	0.678	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-90.1	1.2	177.3	0	0	0	0	0	113.2	R132 P133	R132-A135 PolarHBondContact O-N 3.41Å; P133-A135 PolarHBondContact O-N 2.89Å
136	L	97.9	Very high	95.1	Very high	21 Å²	21	66.7 Å²	66.7	11%	0.11	36%	0.357	C	S	.	.	S	Bend	trans	-117.1	153.3	-175.3	-60.4	172.3	0	0	0	110.8	P131 P133 E134 R173 V175	P131-L136 HydrophobicContact CB-CD2 4.05Å; P131-L136 HydrophobicContact CB-CG 4.27Å; P133-L136 PolarHBondContact O-N 2.95Å; P133-L136 VanDerWaalsContact O-N 3.13Å; E134-L136 VanDerWaalsContact C-N 3.34Å; L136-R173 HydrophobicContact CB-CB 3.97Å; L136-R173 HydrophobicContact CD1-CB 4.47Å; L136-R173 PolarHBondContact O-NH1 2.79Å; L136-V175 HydrophobicContact CD1-CG2 4.36Å
137	V	96.5	Very high	94.7	Very high	44 Å²	44	63.4 Å²	63.4	27%	0.267	33%	0.334	S	S	.	.			trans	-91.1	147.8	173.9	-65.1	0	0	0	0	110.8	E141 L142	V137-E141 HydrophobicContact CB-CB 4.45Å; V137-L142 HydrophobicContact CG2-CB 4.05Å; V137-L142 HydrophobicContact CG2-CD1 4.21Å
138	S	95.7	Very high	94.4	Very high	18 Å²	18	69.9 Å²	69.9	13%	0.126	36%	0.361	C	S	.	.			trans	-68.5	156.4	172.1	67	0	0	0	0	111.5	G140 E141 L142 D171 I172	S138-G140 PolarHBondContact O-N 3.37Å; S138-E141 WeakPolarHBondContact CB-OE2 3.38Å; S138-E141 PolarHBondContact N-OE2 3.3Å; S138-E141 PolarHBondContact O-N 3.39Å; S138-E141 WeakPolarHBondContact OG-CB 3.2Å; S138-E141 VanDerWaalsContact OG-CD 3.24Å; S138-E141 VanDerWaalsContact OG-CG 3.25Å; S138-E141 WeakPolarHBondContact OG-CG 3.35Å; S138-E141 PolarHBondContact OG-N 3.06Å; S138-E141 PolarHBondContact OG-OE2 2.95Å; S138-L142 VanDerWaalsContact O-CB 3.26Å; S138-L142 WeakPolarHBondContact O-CB 3.43Å; S138-L142 PolarHBondContact O-N 2.75Å; S138-D171 WeakPolarHBondContact CB-OD1 2.99Å; S138-I172 CarbonylContact C-O 3.56Å; S138-I172 WeakPolarHBondContact CA-O 3.2Å
139	I	92.5	Very high	94	Very high	14 Å²	14	74.3 Å²	74.3	7%	0.072	38%	0.383	C	S	.	.	H	α-helix	trans	-55.3	-38.1	172.5	-74.8	178.7	0	0	0	111.3	L142 V143 L166 I172 P174 Y180	I139-L142 PolarHBondContact O-N 3.12Å; I139-V143 HydrophobicContact CG2-CG2 4.38Å; I139-V143 WeakPolarHBondContact O-CB 3.18Å; I139-V143 VanDerWaalsContact O-CG2 3.27Å; I139-V143 WeakPolarHBondContact O-CG2 3.35Å; I139-V143 PolarHBondContact O-N 2.77Å; I139-L166 HydrophobicContact CD1-CD1 3.46Å; I139-L166 VanDerWaalsContact CD1-CD1 3.46Å; I139-L166 HydrophobicContact CD1-CD2 4.42Å; I139-L166 HydrophobicContact CG2-CD1 4.01Å; I139-I172 HydrophobicContact CD1-CB 3.96Å; I139-I172 HydrophobicContact CD1-CG2 3.53Å; I139-I172 HydrophobicContact CG1-CB 4.44Å; I139-I172 HydrophobicContact CG1-CG2 4.29Å; I139-I172 PolarHBondContact N-O 3.15Å; I139-P174 HydrophobicContact CD1-CG 4.11Å; I139-P174 HydrophobicContact CG1-CG 3.55Å; I139-Y180 HydrophobicContact CB-CE1 4.39Å; I139-Y180 HydrophobicContact CD1-CD2 3.85Å; I139-Y180 HydrophobicContact CD1-CE1 4.43Å; I139-Y180 HydrophobicContact CD1-CE2 3.56Å; I139-Y180 HydrophobicContact CD1-CG 4.43Å; I139-Y180 HydrophobicContact CG1-CD1 4.34Å; I139-Y180 HydrophobicContact CG1-CD2 4.3Å; I139-Y180 HydrophobicContact CG1-CE1 4.12Å; I139-Y180 HydrophobicContact CG1-CE2 4.13Å; I139-Y180 HydrophobicContact CG1-CG 4.41Å; I139-Y180 HydrophobicContact CG2-CE1 3.7Å; I139-Y180 HydrophobicContact CG2-CE2 4.26Å; I139-Y180 VanDerWaalsContact CG2-CZ 3.45Å; I139-Y180 WeakPolarHBondContact CG2-OH 3.39Å
140	G	89	Confident	93.5	Very high	49 Å²	49	67.8 Å²	67.8	51%	0.505	36%	0.358	S	S	.	.	H	α-helix	trans	-60.8	-51.5	177.5	0	0	0	0	0	112.1	S138 V143 E144	S138-G140 PolarHBondContact O-N 3.37Å; G140-V143 PolarHBondContact O-N 3.3Å; G140-E144 PolarHBondContact O-N 3.05Å; G140-E144 VanDerWaalsContact O-N 3.08Å
141	E	93.4	Very high	92.9	Very high	89 Å²	89	71 Å²	71	42%	0.416	38%	0.379	S	S	.	.	H	α-helix	trans	-65.4	-40.2	177.7	-69	160.7	148.9	0	0	111.8	V137 S138 V143 E144 Q145	V137-E141 HydrophobicContact CB-CB 4.45Å; S138-E141 WeakPolarHBondContact CB-OE2 3.38Å; S138-E141 PolarHBondContact N-OE2 3.3Å; S138-E141 PolarHBondContact O-N 3.39Å; S138-E141 WeakPolarHBondContact OG-CB 3.2Å; S138-E141 VanDerWaalsContact OG-CD 3.24Å; S138-E141 VanDerWaalsContact OG-CG 3.25Å; S138-E141 WeakPolarHBondContact OG-CG 3.35Å; S138-E141 PolarHBondContact OG-N 3.06Å; S138-E141 PolarHBondContact OG-OE2 2.95Å; E141-V143 PolarHBondContact O-N 3.45Å; E141-E144 PolarHBondContact O-N 3.45Å; E141-Q145 WeakPolarHBondContact O-CB 3.29Å; E141-Q145 WeakPolarHBondContact O-CG 3.42Å; E141-Q145 PolarHBondContact O-N 3.41Å
142	L	92.4	Very high	92.2	Very high	7 Å²	7	71.3 Å²	71.3	4%	0.037	39%	0.388	C	S	.	.	H	α-helix	trans	-60.2	-45.8	178.4	179.8	60.5	0	0	0	111.4	V137 S138 I139 Q145 E146 P174 P177 Y180 L181	V137-L142 HydrophobicContact CG2-CB 4.05Å; V137-L142 HydrophobicContact CG2-CD1 4.21Å; S138-L142 VanDerWaalsContact O-CB 3.26Å; S138-L142 WeakPolarHBondContact O-CB 3.43Å; S138-L142 PolarHBondContact O-N 2.75Å; I139-L142 PolarHBondContact O-N 3.12Å; L142-Q145 PolarHBondContact O-N 3.01Å; L142-E146 WeakPolarHBondContact O-CG 3.49Å; L142-E146 PolarHBondContact O-N 3.34Å; L142-E146 VanDerWaalsContact O-N 3.08Å; L142-P174 HydrophobicContact CD2-CG 4.23Å; L142-P177 HydrophobicContact CD1-CB 3.84Å; L142-P177 HydrophobicContact CD2-CB 3.74Å; L142-P177 HydrophobicContact CG-CB 4.46Å; L142-Y180 HydrophobicContact CD2-CD1 3.65Å; L142-Y180 HydrophobicContact CD2-CE1 4.42Å; L142-Y180 HydrophobicContact CD2-CG 4.45Å; L142-L181 HydrophobicContact CD1-CD1 4Å; L142-L181 HydrophobicContact CD1-CG 4.49Å; L142-L181 HydrophobicContact CD2-CD1 4.48Å; L142-L181 HydrophobicContact CD2-CD2 4.26Å; L142-L181 HydrophobicContact CD2-CG 4.11Å; L142-L181 HydrophobicContact CG-CD1 4.29Å; L142-L181 HydrophobicContact CG-CD2 4.11Å; L142-L181 HydrophobicContact CG-CG 4.26Å
143	V	89	Confident	91.5	Very high	15 Å²	15	65.2 Å²	65.2	9%	0.091	37%	0.365	C	S	.	.	H	α-helix	trans	-64.1	-43.7	176.7	164.4	0	0	0	0	111.3	I139 G140 E141 Q145 E146 I147 V157 Y180	I139-V143 HydrophobicContact CG2-CG2 4.38Å; I139-V143 WeakPolarHBondContact O-CB 3.18Å; I139-V143 VanDerWaalsContact O-CG2 3.27Å; I139-V143 WeakPolarHBondContact O-CG2 3.35Å; I139-V143 PolarHBondContact O-N 2.77Å; G140-V143 PolarHBondContact O-N 3.3Å; E141-V143 PolarHBondContact O-N 3.45Å; V143-Q145 PolarHBondContact O-N 3.48Å; V143-E146 PolarHBondContact O-N 2.91Å; V143-I147 HydrophobicContact CG1-CD1 3.8Å; V143-I147 WeakPolarHBondContact O-CG1 3.34Å; V143-I147 PolarHBondContact O-N 2.81Å; V143-V157 HydrophobicContact CB-CG1 4.46Å; V143-V157 HydrophobicContact CG1-CB 4.36Å; V143-V157 HydrophobicContact CG1-CG1 3.42Å; V143-V157 VanDerWaalsContact CG1-CG1 3.42Å; V143-V157 HydrophobicContact CG1-CG2 4.03Å; V143-V157 HydrophobicContact CG2-CG1 4.2Å; V143-Y180 HydrophobicContact CG2-CE1 4.18Å
144	E	90.4	Very high	90.7	Very high	140 Å²	140	67 Å²	67	65%	0.654	38%	0.38	S	S	*	.	H	α-helix	trans	-62.4	-42.3	178.1	-174.2	175.4	-176.7	0	0	112	G140 E141 I147 K148	G140-E144 PolarHBondContact O-N 3.05Å; G140-E144 VanDerWaalsContact O-N 3.08Å; E141-E144 PolarHBondContact O-N 3.45Å; E144-I147 PolarHBondContact O-N 2.88Å; E144-K148 WeakPolarHBondContact O-CB 3.44Å; E144-K148 PolarHBondContact O-N 3.26Å
145	Q	92.1	Very high	89.8	Confident	94 Å²	94	68.3 Å²	68.3	44%	0.439	39%	0.386	S	S	.	.	H	α-helix	trans	-61.9	-43.6	176.1	-73.4	170.7	9.9	0	0	112.1	E141 L142 V143 K148 N149	E141-Q145 WeakPolarHBondContact O-CB 3.29Å; E141-Q145 WeakPolarHBondContact O-CG 3.42Å; E141-Q145 PolarHBondContact O-N 3.41Å; L142-Q145 PolarHBondContact O-N 3.01Å; V143-Q145 PolarHBondContact O-N 3.48Å; Q145-K148 PolarHBondContact O-N 2.89Å; Q145-N149 PolarHBondContact O-N 2.84Å; Q145-N149 VanDerWaalsContact O-N 3.09Å; Q145-N149 PolarHBondContact O-ND2 3.23Å
146	E	90.5	Very high	89	Confident	32 Å²	32	69.2 Å²	69.2	15%	0.15	37%	0.372	C	S	.	.	H	α-helix	trans	-66.5	-43.1	179.1	-70.7	-71.9	158	0	0	112.4	L142 V143 K148 N149 D150 Y153 L181 K183	L142-E146 WeakPolarHBondContact O-CG 3.49Å; L142-E146 PolarHBondContact O-N 3.34Å; L142-E146 VanDerWaalsContact O-N 3.08Å; V143-E146 PolarHBondContact O-N 2.91Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 PolarHBondContact O-N 2.99Å; E146-N149 PolarHBondContact O-N 2.83Å; E146-D150 PolarHBondContact O-N 2.95Å; E146-Y153 HydrophobicContact CB-CD1 3.51Å; E146-Y153 HydrophobicContact CB-CE1 3.66Å; E146-Y153 HydrophobicContact CB-CG 4.35Å; E146-Y153 HydrophobicContact CG-CD1 4.39Å; E146-Y153 HydrophobicContact CG-CE1 4.08Å; E146-L181 HydrophobicContact CG-CD1 3.64Å; E146-L181 HydrophobicContact CG-CD2 3.91Å; E146-L181 HydrophobicContact CG-CG 4.44Å; E146-L181 VanDerWaalsContact OE1-CD1 3.23Å; E146-L181 WeakPolarHBondContact OE1-CD1 3.25Å; E146-K183 IonicContact OE1-NZ 3.21Å; E146-K183 PolarHBondContact OE1-NZ 3.24Å; E146-K183 WeakPolarHBondContact OE2-CE 3.25Å; E146-K183 IonicContact OE2-NZ 3.77Å; E146-K183 PolarHBondContact OE2-NZ 3.34Å
147	I	89.1	Confident	88.1	Confident	60 Å²	60	68.6 Å²	68.6	31%	0.308	37%	0.369	S	S	.	.	H	α-helix	trans	-63.7	-37.9	176.4	-67.4	169.9	0	0	0	111.3	V143 E144 N149 D150 P151 A154 V157	V143-I147 HydrophobicContact CG1-CD1 3.8Å; V143-I147 WeakPolarHBondContact O-CG1 3.34Å; V143-I147 PolarHBondContact O-N 2.81Å; E144-I147 PolarHBondContact O-N 2.88Å; I147-N149 VanDerWaalsContact C-N 3.35Å; I147-D150 CarbonylContact O-C 3.45Å; I147-D150 VanDerWaalsContact O-C 3.23Å; I147-P151 WeakPolarHBondContact O-CA 3.21Å; I147-A154 HydrophobicContact CD1-CB 4.43Å; I147-A154 HydrophobicContact CG1-CB 4.21Å; I147-A154 HydrophobicContact CG2-CB 4.36Å; I147-V157 HydrophobicContact CD1-CG1 4.46Å; I147-V157 HydrophobicContact CD1-CG2 4.36Å; I147-V157 HydrophobicContact CG1-CG2 4.19Å
148	K	91	Very high	87.1	Confident	175 Å²	175	69.4 Å²	69.4	76%	0.761	37%	0.37	S	S	*	.	H	α-helix	trans	-66.2	-37.9	177.4	-175.8	179.3	178.3	-178.5	0	112.2	E144 Q145 E146	E144-K148 WeakPolarHBondContact O-CB 3.44Å; E144-K148 PolarHBondContact O-N 3.26Å; Q145-K148 PolarHBondContact O-N 2.89Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 PolarHBondContact O-N 2.99Å
149	N	89.3	Confident	86.1	Confident	127 Å²	127	71.8 Å²	71.8	68%	0.679	39%	0.386	S	S	*	.	H	α-helix	trans	-76.4	-35.6	-180	-68.8	-22	0	0	0	112.2	Q145 E146 I147	Q145-N149 PolarHBondContact O-N 2.84Å; Q145-N149 VanDerWaalsContact O-N 3.09Å; Q145-N149 PolarHBondContact O-ND2 3.23Å; E146-N149 PolarHBondContact O-N 2.83Å; I147-N149 VanDerWaalsContact C-N 3.35Å
150	D	88.2	Confident	85.5	Confident	76 Å²	76	71.4 Å²	71.4	41%	0.406	38%	0.384	S	S	.	.			trans	-141.6	100	177.1	177.7	8.5	0	0	0	110.1	E146 I147 A152 Y153	E146-D150 PolarHBondContact O-N 2.95Å; I147-D150 CarbonylContact O-C 3.45Å; I147-D150 VanDerWaalsContact O-C 3.23Å; D150-A152 PolarHBondContact O-N 3.36Å; D150-A152 VanDerWaalsContact O-N 3.14Å; D150-A152 VanDerWaalsContact OD1-CB 3.29Å; D150-A152 WeakPolarHBondContact OD1-CB 3.36Å; D150-A152 PolarHBondContact OD1-N 2.82Å; D150-Y153 WeakPolarHBondContact O-CA 3.49Å; D150-Y153 WeakPolarHBondContact O-CB 3.23Å; D150-Y153 PolarHBondContact O-N 2.94Å
151	P	84.8	Confident	84.9	Confident	100 Å²	100	74.2 Å²	74.2	65%	0.649	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.4	177.5	-27.6	36.1	0	0	0	114.1	I147 Y153 A154	I147-P151 WeakPolarHBondContact O-CA 3.21Å; P151-Y153 PolarHBondContact O-N 2.82Å; P151-A154 VanDerWaalsContact O-CB 3.31Å; P151-A154 WeakPolarHBondContact O-CB 3.3Å; P151-A154 PolarHBondContact O-N 2.92Å
152	A	83.3	Confident	83.8	Confident	74 Å²	74	76.7 Å²	76.7	61%	0.612	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-21.8	175	0	0	0	0	0	111.9	D150 A154 E155	D150-A152 PolarHBondContact O-N 3.36Å; D150-A152 VanDerWaalsContact O-N 3.14Å; D150-A152 VanDerWaalsContact OD1-CB 3.29Å; D150-A152 WeakPolarHBondContact OD1-CB 3.36Å; D150-A152 PolarHBondContact OD1-N 2.82Å; A152-A154 PolarHBondContact O-N 3.27Å; A152-E155 PolarHBondContact O-N 2.92Å
153	Y	82.4	Confident	82.9	Confident	14 Å²	14	78.7 Å²	78.7	6%	0.055	39%	0.394	C	S	.	.	H	α-helix	trans	-65.3	-17.8	174.8	-161.8	-97.3	0	0	0	112.9	E146 D150 P151 E155 R156 V157 L181	E146-Y153 HydrophobicContact CB-CD1 3.51Å; E146-Y153 HydrophobicContact CB-CE1 3.66Å; E146-Y153 HydrophobicContact CB-CG 4.35Å; E146-Y153 HydrophobicContact CG-CD1 4.39Å; E146-Y153 HydrophobicContact CG-CE1 4.08Å; D150-Y153 WeakPolarHBondContact O-CA 3.49Å; D150-Y153 WeakPolarHBondContact O-CB 3.23Å; D150-Y153 PolarHBondContact O-N 2.94Å; P151-Y153 PolarHBondContact O-N 2.82Å; Y153-E155 VanDerWaalsContact C-N 3.26Å; Y153-E155 PolarHBondContact O-N 3.25Å; Y153-R156 HydrophobicContact CD2-CB 4.29Å; Y153-R156 HydrophobicContact CE2-CB 4.31Å; Y153-R156 HydrophobicContact CE2-CG 4.12Å; Y153-R156 WeakPolarHBondContact O-CB 3.16Å; Y153-R156 PolarHBondContact O-N 3.21Å; Y153-V157 HydrophobicContact CD1-CG2 3.47Å; Y153-V157 VanDerWaalsContact CD1-CG2 3.47Å; Y153-V157 HydrophobicContact CE1-CG2 3.48Å; Y153-V157 VanDerWaalsContact CE1-CG2 3.48Å; Y153-V157 PolarHBondContact O-N 3.13Å; Y153-L181 HydrophobicContact CE1-CD2 4.06Å; Y153-L181 WeakPolarHBondContact OH-CB 3.39Å; Y153-L181 WeakPolarHBondContact OH-CD2 3.2Å; Y153-L181 PolarHBondContact OH-O 3.31Å; Y153-L181 VanDerWaalsContact OH-O 3.09Å
154	A	81.7	Confident	82.4	Confident	40 Å²	40	78.9 Å²	78.9	33%	0.331	39%	0.394	S	S	.	.	H	α-helix	trans	-56.1	-38.3	176.4	0	0	0	0	0	112.9	I147 P151 A152 V157 E158	I147-A154 HydrophobicContact CD1-CB 4.43Å; I147-A154 HydrophobicContact CG1-CB 4.21Å; I147-A154 HydrophobicContact CG2-CB 4.36Å; P151-A154 VanDerWaalsContact O-CB 3.31Å; P151-A154 WeakPolarHBondContact O-CB 3.3Å; P151-A154 PolarHBondContact O-N 2.92Å; A152-A154 PolarHBondContact O-N 3.27Å; A154-V157 PolarHBondContact O-N 2.86Å; A154-E158 PolarHBondContact O-N 3.09Å
155	E	79.6	Confident	82	Confident	164 Å²	164	73.9 Å²	73.9	77%	0.766	37%	0.371	S	S	*	.	H	α-helix	trans	-66.3	-39.3	176.5	-172.5	179.7	179.7	0	0	111.6	A152 Y153 E158 C159	A152-E155 PolarHBondContact O-N 2.92Å; Y153-E155 VanDerWaalsContact C-N 3.26Å; Y153-E155 PolarHBondContact O-N 3.25Å; E155-E158 PolarHBondContact O-N 3.13Å; E155-C159 PolarHBondContact O-N 3.18Å
156	R	79.2	Confident	81.6	Confident	101 Å²	101	71 Å²	71	38%	0.381	36%	0.358	S	S	.	.	H	α-helix	trans	-67.7	-39.6	176.7	-174.7	166.3	179.1	165	10.7	111.9	Y153 E158 C159 L160 R182 K183	Y153-R156 HydrophobicContact CD2-CB 4.29Å; Y153-R156 HydrophobicContact CE2-CB 4.31Å; Y153-R156 HydrophobicContact CE2-CG 4.12Å; Y153-R156 WeakPolarHBondContact O-CB 3.16Å; Y153-R156 PolarHBondContact O-N 3.21Å; R156-E158 VanDerWaalsContact C-N 3.31Å; R156-E158 PolarHBondContact O-N 2.95Å; R156-C159 WeakPolarHBondContact O-CB 3.37Å; R156-C159 PolarHBondContact O-N 3.29Å; R156-L160 WeakPolarHBondContact O-CG 3.35Å; R156-L160 PolarHBondContact O-N 2.47Å; R156-R182 PolarHBondContact NH2-O 3.15Å; R156-K183 PolarHBondContact NH2-O 2.93Å
157	V	79.4	Confident	81.2	Confident	8 Å²	8	69.7 Å²	69.7	5%	0.048	35%	0.353	C	S	.	.	H	α-helix	trans	-58.7	-45.8	172.6	167.7	0	0	0	0	110.5	V143 I147 Y153 A154 C159 L160 R161	V143-V157 HydrophobicContact CB-CG1 4.46Å; V143-V157 HydrophobicContact CG1-CB 4.36Å; V143-V157 HydrophobicContact CG1-CG1 3.42Å; V143-V157 VanDerWaalsContact CG1-CG1 3.42Å; V143-V157 HydrophobicContact CG1-CG2 4.03Å; V143-V157 HydrophobicContact CG2-CG1 4.2Å; I147-V157 HydrophobicContact CD1-CG1 4.46Å; I147-V157 HydrophobicContact CD1-CG2 4.36Å; I147-V157 HydrophobicContact CG1-CG2 4.19Å; Y153-V157 HydrophobicContact CD1-CG2 3.47Å; Y153-V157 VanDerWaalsContact CD1-CG2 3.47Å; Y153-V157 HydrophobicContact CE1-CG2 3.48Å; Y153-V157 VanDerWaalsContact CE1-CG2 3.48Å; Y153-V157 PolarHBondContact O-N 3.13Å; A154-V157 PolarHBondContact O-N 2.86Å; V157-C159 VanDerWaalsContact C-N 3.27Å; V157-C159 PolarHBondContact O-N 2.9Å; V157-L160 WeakPolarHBondContact O-CA 3.19Å; V157-L160 WeakPolarHBondContact O-CB 3.44Å; V157-L160 PolarHBondContact O-N 3.21Å; V157-R161 HydrophobicContact CG1-CG 4.34Å; V157-R161 WeakPolarHBondContact O-CG 3.46Å; V157-R161 PolarHBondContact O-N 2.9Å
158	E	75.3	Confident	81.2	Confident	61 Å²	61	71.9 Å²	71.9	29%	0.285	37%	0.369	S	S	.	.	H	α-helix	trans	-62.1	-39	178.7	-177.9	53.4	-154.1	0	0	111.2	A154 E155 R156 L160 R161 R162	A154-E158 PolarHBondContact O-N 3.09Å; E155-E158 PolarHBondContact O-N 3.13Å; R156-E158 VanDerWaalsContact C-N 3.31Å; R156-E158 PolarHBondContact O-N 2.95Å; E158-L160 PolarHBondContact O-N 3.31Å; E158-R161 PolarHBondContact O-N 2.88Å; E158-R162 VanDerWaalsContact O-CG 3.31Å; E158-R162 WeakPolarHBondContact O-CG 3.46Å; E158-R162 PolarHBondContact O-N 3.47Å; E158-R162 IonicContact OE1-CZ 2.78Å; E158-R162 IonicContact OE1-NE 3.89Å; E158-R162 PolarHBondContact OE1-NE 2.85Å; E158-R162 IonicContact OE1-NH2 3.74Å; E158-R162 PolarHBondContact OE1-NH2 3.23Å
159	C	76.4	Confident	81.1	Confident	67 Å²	67	64.5 Å²	64.5	45%	0.453	34%	0.338	S	S	.	.	H	α-helix	trans	-60.3	-43.4	170.4	-173.2	0	0	0	0	112.5	E155 R156 V157 R161 R162 M163	E155-C159 PolarHBondContact O-N 3.18Å; R156-C159 WeakPolarHBondContact O-CB 3.37Å; R156-C159 PolarHBondContact O-N 3.29Å; V157-C159 VanDerWaalsContact C-N 3.27Å; V157-C159 PolarHBondContact O-N 2.9Å; C159-R161 PolarHBondContact O-N 2.91Å; C159-R162 PolarHBondContact O-N 3.17Å; C159-M163 WeakPolarHBondContact O-CG 3.38Å; C159-M163 PolarHBondContact O-N 2.87Å
160	L	79.1	Confident	81.4	Confident	7 Å²	7	58.7 Å²	58.7	4%	0.037	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-45.9	174.5	-67.1	171.4	0	0	0	111.9	R156 V157 E158 R162 M163 E164 R182	R156-L160 WeakPolarHBondContact O-CG 3.35Å; R156-L160 PolarHBondContact O-N 2.47Å; V157-L160 WeakPolarHBondContact O-CA 3.19Å; V157-L160 WeakPolarHBondContact O-CB 3.44Å; V157-L160 PolarHBondContact O-N 3.21Å; E158-L160 PolarHBondContact O-N 3.31Å; L160-R162 PolarHBondContact O-N 3.03Å; L160-M163 HydrophobicContact CD2-CE 3.84Å; L160-M163 PolarHBondContact O-N 3.5Å; L160-E164 PolarHBondContact O-N 3.15Å; L160-R182 HydrophobicContact CD2-CB 3.94Å; L160-R182 HydrophobicContact CD2-CG 3.9Å
161	R	76.2	Confident	81.7	Confident	107 Å²	107	56.3 Å²	56.3	40%	0.404	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-26.6	178.3	-67.1	-177.8	78.4	87.8	4.9	113.2	V157 E158 C159 M163	V157-R161 HydrophobicContact CG1-CG 4.34Å; V157-R161 WeakPolarHBondContact O-CG 3.46Å; V157-R161 PolarHBondContact O-N 2.9Å; E158-R161 PolarHBondContact O-N 2.88Å; C159-R161 PolarHBondContact O-N 2.91Å; R161-M163 VanDerWaalsContact C-N 3.34Å
162	R	71.4	Confident	82.3	Confident	141 Å²	141	52 Å²	52	53%	0.532	27%	0.266	S	S	.	.	H	α-helix	trans	-80.7	-12.6	174.5	-70.6	174.1	-173.9	-165.5	0.5	113.9	I33 E158 C159 L160	I33-R162 VanDerWaalsContact CD1-O 3.3Å; I33-R162 WeakPolarHBondContact CD1-O 3.1Å; E158-R162 VanDerWaalsContact O-CG 3.31Å; E158-R162 WeakPolarHBondContact O-CG 3.46Å; E158-R162 PolarHBondContact O-N 3.47Å; E158-R162 IonicContact OE1-CZ 2.78Å; E158-R162 IonicContact OE1-NE 3.89Å; E158-R162 PolarHBondContact OE1-NE 2.85Å; E158-R162 IonicContact OE1-NH2 3.74Å; E158-R162 PolarHBondContact OE1-NH2 3.23Å; C159-R162 PolarHBondContact O-N 3.17Å; L160-R162 PolarHBondContact O-N 3.03Å
163	M	72.5	Confident	83	Confident	49 Å²	49	50.7 Å²	50.7	24%	0.241	25%	0.245	C	C	.	.	H	α-helix	trans	-96.4	-11.8	178.1	-70.7	-171	-79.9	0	0	113.4	C159 L160 R161 R182 L224 L234	C159-M163 WeakPolarHBondContact O-CG 3.38Å; C159-M163 PolarHBondContact O-N 2.87Å; L160-M163 HydrophobicContact CD2-CE 3.84Å; L160-M163 PolarHBondContact O-N 3.5Å; R161-M163 VanDerWaalsContact C-N 3.34Å; M163-R182 VanDerWaalsContact CE-NH1 3.31Å; M163-L224 HydrophobicContact SD-CD1 4.5Å; M163-L234 HydrophobicContact CG-CD2 3.87Å; M163-L234 HydrophobicContact SD-CD2 4.06Å
164	E	78.5	Confident	83.6	Confident	19 Å²	19	50 Å²	50	9%	0.089	24%	0.243	C	C	.	.			trans	-154.3	130.7	-170.7	-176.2	170.5	-155	0	0	112	L160 L166 R182 C218 S221	L160-E164 PolarHBondContact O-N 3.15Å; E164-L166 HydrophobicContact CG-CD2 4.13Å; E164-L166 HydrophobicContact CG-CG 4.09Å; E164-R182 IonicContact OE2-NH2 2.77Å; E164-R182 PolarHBondContact OE2-NH2 3.39Å; E164-C218 WeakPolarHBondContact OE1-CA 3.3Å; E164-C218 PolarHBondContact OE1-N 3.17Å; E164-S221 WeakPolarHBondContact OE1-CB 3.25Å; E164-S221 PolarHBondContact OE1-OG 2.94Å; E164-S221 WeakPolarHBondContact OE2-CB 3.36Å
165	H	81.8	Confident	84.4	Confident	35 Å²	35	49 Å²	49	16%	0.162	23%	0.232	C	C	.	.			trans	-77.9	127.3	166.1	-166.3	66.7	0	0	0	109.6	I30 P31 G32 Y40 S217	I30-H165 WeakPolarHBondContact CD1-NE2 3.26Å; P31-H165 PolarHBondContact O-CE1 3.25Å; P31-H165 PolarHBondContact O-ND1 2.98Å; P31-H165 VanDerWaalsContact O-ND1 3.17Å; G32-H165 WeakPolarHBondContact O-CA 3.24Å; G32-H165 WeakPolarHBondContact O-CB 3.17Å; G32-H165 PolarHBondContact O-ND1 3.39Å; Y40-H165 AromaticContact CD1-CD2 3.49Å; Y40-H165 VanDerWaalsContact CD1-CD2 3.49Å; Y40-H165 WeakPolarHBondContact CD1-CD2 3.38Å; Y40-H165 AromaticContact CD1-NE2 3.85Å; Y40-H165 HydrophobicContact CD2-CB 3.59Å; Y40-H165 AromaticContact CD2-CD2 3.49Å; Y40-H165 VanDerWaalsContact CD2-CD2 3.49Å; Y40-H165 WeakPolarHBondContact CD2-CD2 3.32Å; Y40-H165 AromaticContact CD2-CG 3.61Å; Y40-H165 AromaticContact CE1-CD2 3.77Å; Y40-H165 HydrophobicContact CE2-CB 3.84Å; Y40-H165 AromaticContact CE2-CD2 3.8Å; Y40-H165 HydrophobicContact CG-CB 4.29Å; Y40-H165 AromaticContact CG-CD2 3.35Å; Y40-H165 AromaticContact CG-CG 3.78Å; Y40-H165 AromaticContact CG-NE2 3.86Å; Y40-H165 AromaticContact CZ-CD2 3.92Å; H165-S217 PolarHBondContact O-OG 2.82Å
166	L	83	Confident	85.2	Confident	34 Å²	34	44.4 Å²	44.4	18%	0.178	21%	0.211	C	C	.	.			trans	-126.1	110.4	167.1	-66.2	172.9	0	0	0	108.7	I139 E164 T168 I172 Y180	I139-L166 HydrophobicContact CD1-CD1 3.46Å; I139-L166 VanDerWaalsContact CD1-CD1 3.46Å; I139-L166 HydrophobicContact CD1-CD2 4.42Å; I139-L166 HydrophobicContact CG2-CD1 4.01Å; E164-L166 HydrophobicContact CG-CD2 4.13Å; E164-L166 HydrophobicContact CG-CG 4.09Å; L166-T168 PolarHBondContact O-N 3.08Å; L166-I172 HydrophobicContact CB-CD1 4.33Å; L166-I172 HydrophobicContact CD2-CD1 3.89Å; L166-Y180 HydrophobicContact CD1-CE2 3.72Å; L166-Y180 WeakPolarHBondContact CD1-OH 3.33Å
167	P	83.8	Confident	85.8	Confident	4 Å²	4	41.6 Å²	41.6	3%	0.026	21%	0.206	C	C	.	.			trans	-68.4	124.7	-174.2	26.6	-33.6	0	0	0	110.5	T169 F170 F213 I214	P167-T169 PolarHBondContact O-N 2.85Å; P167-T169 VanDerWaalsContact O-N 3.12Å; P167-F170 HydrophobicContact CB-CD2 3.92Å; P167-F170 HydrophobicContact CB-CE2 4.39Å; P167-F170 HydrophobicContact CG-CD2 3.51Å; P167-F170 HydrophobicContact CG-CE2 4.02Å; P167-F170 HydrophobicContact CG-CG 4.29Å; P167-F170 PolarHBondContact O-N 2.77Å; P167-F213 HydrophobicContact CB-CE1 3.84Å; P167-F213 HydrophobicContact CB-CZ 4.34Å; P167-F213 HydrophobicContact CG-CE1 3.96Å; P167-I214 HydrophobicContact CG-CD1 3.3Å
168	T	87.4	Confident	86.4	Confident	107 Å²	107	44.1 Å²	44.1	66%	0.656	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.3	-177.3	58	0	0	0	0	113.8	L166 F170 K197	L166-T168 PolarHBondContact O-N 3.08Å; T168-F170 PolarHBondContact O-N 3.22Å; T168-K197 WeakPolarHBondContact O-CD 3.49Å; T168-K197 PolarHBondContact O-NZ 2.96Å
169	T	90.5	Very high	87.2	Confident	19 Å²	19	41.4 Å²	41.4	12%	0.117	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-9.6	172.2	46.1	0	0	0	0	113.7	L9 F13 P167 K197	L9-T169 HydrophobicContact CB-CG2 4.12Å; L9-T169 HydrophobicContact CD1-CG2 4.11Å; L9-T169 WeakPolarHBondContact CD1-OG1 3.27Å; F13-T169 HydrophobicContact CD2-CG2 3.99Å; F13-T169 HydrophobicContact CE2-CG2 3.59Å; P167-T169 PolarHBondContact O-N 2.85Å; P167-T169 VanDerWaalsContact O-N 3.12Å; T169-K197 WeakPolarHBondContact O-CB 3.27Å; T169-K197 WeakPolarHBondContact O-CG 3.42Å; T169-K197 PolarHBondContact O-N 2.86Å
170	F	94.1	Very high	87.9	Confident	6 Å²	6	38.7 Å²	38.7	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	143.3	175.7	-68.6	-102.8	0	0	0	110.9	L9 P167 T168 I172 K195 A196 K197 T210 F213 I214 M253	L9-F170 HydrophobicContact CD1-CE2 4.1Å; L9-F170 HydrophobicContact CD2-CD2 4.41Å; L9-F170 HydrophobicContact CD2-CE1 4.44Å; L9-F170 HydrophobicContact CD2-CE2 3.56Å; L9-F170 HydrophobicContact CD2-CZ 3.59Å; P167-F170 HydrophobicContact CB-CD2 3.92Å; P167-F170 HydrophobicContact CB-CE2 4.39Å; P167-F170 HydrophobicContact CG-CD2 3.51Å; P167-F170 HydrophobicContact CG-CE2 4.02Å; P167-F170 HydrophobicContact CG-CG 4.29Å; P167-F170 PolarHBondContact O-N 2.77Å; T168-F170 PolarHBondContact O-N 3.22Å; F170-I172 HydrophobicContact CB-CD1 4.17Å; F170-I172 HydrophobicContact CB-CG1 3.84Å; F170-K195 CarbonylContact C-O 3.57Å; F170-K195 VanDerWaalsContact CA-O 3.29Å; F170-K195 WeakPolarHBondContact CA-O 3.21Å; F170-A196 HydrophobicContact CD1-CB 4.36Å; F170-A196 HydrophobicContact CE1-CB 4.13Å; F170-K197 WeakPolarHBondContact O-CE 3.48Å; F170-K197 PolarHBondContact O-NZ 2.85Å; F170-T210 HydrophobicContact CE1-CG2 4.06Å; F170-T210 HydrophobicContact CZ-CG2 3.59Å; F170-F213 AromaticContact CE2-CD1 3.88Å; F170-F213 HydrophobicContact CE2-CD1 3.88Å; F170-F213 AromaticContact CE2-CE1 3.87Å; F170-F213 HydrophobicContact CE2-CE1 3.87Å; F170-F213 HydrophobicContact CZ-CD1 4.23Å; F170-I214 HydrophobicContact CD1-CD1 4.15Å; F170-I214 HydrophobicContact CD1-CG1 4.14Å; F170-I214 HydrophobicContact CD2-CD1 3.95Å; F170-I214 HydrophobicContact CE1-CB 3.94Å; F170-I214 HydrophobicContact CE1-CD1 4.33Å; F170-I214 HydrophobicContact CE1-CG1 4.06Å; F170-I214 HydrophobicContact CE1-CG2 4.29Å; F170-I214 HydrophobicContact CE2-CB 4.39Å; F170-I214 HydrophobicContact CE2-CD1 4.12Å; F170-I214 HydrophobicContact CG-CD1 3.94Å; F170-I214 HydrophobicContact CG-CG1 4.45Å; F170-I214 HydrophobicContact CZ-CB 3.84Å; F170-I214 HydrophobicContact CZ-CD1 4.3Å; F170-I214 HydrophobicContact CZ-CG1 4.27Å; F170-I214 HydrophobicContact CZ-CG2 4.48Å; F170-M253 HydrophobicContact CE1-CE 3.95Å
171	D	95.7	Very high	88.4	Confident	26 Å²	26	38.5 Å²	38.5	14%	0.139	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	122.2	157.5	-172.7	-4.8	0	0	0	106.9	S138 R173 V194 K195 K197 W256	S138-D171 WeakPolarHBondContact CB-OD1 2.99Å; D171-R173 IonicContact OD1-NE 3.14Å; D171-R173 IonicContact OD2-CZ 2.93Å; D171-R173 IonicContact OD2-NE 2.71Å; D171-R173 PolarHBondContact OD2-NE 2.85Å; D171-R173 IonicContact OD2-NH2 2.68Å; D171-R173 PolarHBondContact OD2-NH2 2.81Å; D171-V194 WeakPolarHBondContact O-CA 3.49Å; D171-K195 PolarHBondContact N-O 3.19Å; D171-K195 PolarHBondContact O-N 2.88Å; D171-K197 HydrophobicContact CB-CG 4.33Å; D171-W256 HydrophobicContact CB-CH2 3.78Å; D171-W256 HydrophobicContact CB-CZ3 4.43Å; D171-W256 VanDerWaalsContact CG-CH2 3.4Å; D171-W256 WeakPolarHBondContact O-CZ3 3.34Å; D171-W256 WeakPolarHBondContact OD2-CH2 3.32Å
172	I	96.8	Very high	88.8	Confident	9 Å²	9	33.9 Å²	33.9	5%	0.046	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.6	-176	-54.2	178.9	0	0	0	107.6	S138 I139 L166 F170 C192 W193 V194 I214	S138-I172 CarbonylContact C-O 3.56Å; S138-I172 WeakPolarHBondContact CA-O 3.2Å; I139-I172 HydrophobicContact CD1-CB 3.96Å; I139-I172 HydrophobicContact CD1-CG2 3.53Å; I139-I172 HydrophobicContact CG1-CB 4.44Å; I139-I172 HydrophobicContact CG1-CG2 4.29Å; I139-I172 PolarHBondContact N-O 3.15Å; L166-I172 HydrophobicContact CB-CD1 4.33Å; L166-I172 HydrophobicContact CD2-CD1 3.89Å; F170-I172 HydrophobicContact CB-CD1 4.17Å; F170-I172 HydrophobicContact CB-CG1 3.84Å; I172-C192 HydrophobicContact CG2-CB 4.06Å; I172-W193 CarbonylContact C-O 3.6Å; I172-W193 VanDerWaalsContact CA-O 3.27Å; I172-W193 WeakPolarHBondContact CA-O 3.33Å; I172-V194 HydrophobicContact CG1-CG1 4.19Å; I172-V194 HydrophobicContact CG2-CG1 4.18Å; I172-I214 HydrophobicContact CD1-CD1 4.41Å
173	R	97.3	Very high	89.3	Confident	47 Å²	47	31.2 Å²	31.2	18%	0.177	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	107.8	-177.1	-51.6	-168.2	179.2	-163.2	-0.3	110	P133 L136 D171 V175 C192 W193 W256	P133-R173 VanDerWaalsContact O-CD 3.23Å; P133-R173 WeakPolarHBondContact O-CD 3.23Å; P133-R173 PolarHBondContact O-NH1 3.44Å; L136-R173 HydrophobicContact CB-CB 3.97Å; L136-R173 HydrophobicContact CD1-CB 4.47Å; L136-R173 PolarHBondContact O-NH1 2.79Å; D171-R173 IonicContact OD1-NE 3.14Å; D171-R173 IonicContact OD2-CZ 2.93Å; D171-R173 IonicContact OD2-NE 2.71Å; D171-R173 PolarHBondContact OD2-NE 2.85Å; D171-R173 IonicContact OD2-NH2 2.68Å; D171-R173 PolarHBondContact OD2-NH2 2.81Å; R173-V175 PolarHBondContact O-N 2.9Å; R173-C192 CarbonylContact O-C 3.54Å; R173-C192 VanDerWaalsContact O-CA 3.3Å; R173-C192 WeakPolarHBondContact O-CA 3.34Å; R173-W193 HydrophobicContact CB-CB 4.33Å; R173-W193 PolarHBondContact N-O 2.78Å; R173-W193 PolarHBondContact O-N 2.84Å; R173-W256 HydrophobicContact CG-CH2 3.76Å; R173-W256 HydrophobicContact CG-CZ3 4.24Å; R173-W256 VanDerWaalsContact NE-CH2 3.31Å
174	P	96.9	Very high	89.9	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	133.6	177.3	-19.4	34.2	0	0	0	109.7	I139 L142 E176 Y180 Y190	I139-P174 HydrophobicContact CD1-CG 4.11Å; I139-P174 HydrophobicContact CG1-CG 3.55Å; L142-P174 HydrophobicContact CD2-CG 4.23Å; P174-E176 PolarHBondContact O-N 3.48Å; P174-Y180 HydrophobicContact CG-CD1 4.36Å; P174-Y180 HydrophobicContact CG-CD2 4.42Å; P174-Y180 HydrophobicContact CG-CG 3.89Å; P174-Y190 HydrophobicContact CB-CE2 4.28Å; P174-Y190 WeakPolarHBondContact CB-OH 3.4Å; P174-Y190 WeakPolarHBondContact CG-OH 3.3Å
175	V	97.9	Very high	90.4	Very high	18 Å²	18	34.5 Å²	34.5	11%	0.109	20%	0.197	C	C	.	.	S	Bend	trans	-64.7	-35.9	171.6	172.9	0	0	0	0	110.3	V130 L136 R173 M191 L258	V130-V175 HydrophobicContact CB-CG1 3.83Å; V130-V175 HydrophobicContact CB-CG2 4.13Å; V130-V175 HydrophobicContact CG1-CG1 3.82Å; V130-V175 HydrophobicContact CG1-CG2 4.33Å; V130-V175 HydrophobicContact CG2-CG2 4.21Å; L136-V175 HydrophobicContact CD1-CG2 4.36Å; R173-V175 PolarHBondContact O-N 2.9Å; V175-M191 HydrophobicContact CB-CB 4Å; V175-M191 WeakPolarHBondContact CB-O 3.35Å; V175-M191 HydrophobicContact CG2-CB 3.75Å; V175-M191 PolarHBondContact N-O 3.34Å; V175-L258 HydrophobicContact CG2-CD1 4.02Å
176	E	95.6	Very high	91	Very high	68 Å²	68	34.3 Å²	34.3	32%	0.318	20%	0.198	S	C	.	.	S	Bend	trans	-121.6	90.2	178.3	-65.4	173.1	-97.1	0	0	109.7	P174 A178 K179 Y180	P174-E176 PolarHBondContact O-N 3.48Å; E176-A178 PolarHBondContact O-N 3.23Å; E176-A178 VanDerWaalsContact O-N 3.14Å; E176-K179 HydrophobicContact CB-CB 4.11Å; E176-K179 HydrophobicContact CB-CD 4.04Å; E176-K179 HydrophobicContact CB-CG 4Å; E176-K179 VanDerWaalsContact CD-CE 3.46Å; E176-K179 VanDerWaalsContact CD-NZ 3.32Å; E176-K179 HydrophobicContact CG-CD 4.48Å; E176-K179 WeakPolarHBondContact O-CB 3.31Å; E176-K179 PolarHBondContact O-N 3Å; E176-K179 WeakPolarHBondContact OE1-CE 3.41Å; E176-K179 IonicContact OE1-NZ 2.84Å; E176-K179 PolarHBondContact OE1-NZ 2.92Å; E176-K179 WeakPolarHBondContact OE2-CE 3.4Å; E176-K179 IonicContact OE2-NZ 2.76Å; E176-K179 PolarHBondContact OE2-NZ 3.04Å; E176-Y180 PolarHBondContact O-N 2.97Å
177	P	93.3	Very high	91.5	Very high	42 Å²	42	37.9 Å²	37.9	27%	0.273	21%	0.214	S	C	.	.	H	α-helix	trans	-51.8	-37.9	-179.6	-31.4	37.5	0	0	0	113.7	L142 K179 Y180 L181	L142-P177 HydrophobicContact CD1-CB 3.84Å; L142-P177 HydrophobicContact CD2-CB 3.74Å; L142-P177 HydrophobicContact CG-CB 4.46Å; P177-K179 VanDerWaalsContact C-N 3.33Å; P177-K179 PolarHBondContact O-N 3.43Å; P177-Y180 PolarHBondContact O-N 2.93Å; P177-L181 WeakPolarHBondContact O-CB 3.36Å; P177-L181 VanDerWaalsContact O-CG 3.3Å; P177-L181 WeakPolarHBondContact O-CG 3.44Å; P177-L181 PolarHBondContact O-N 3.46Å
178	A	90.8	Very high	92.2	Very high	60 Å²	60	38.6 Å²	38.6	50%	0.496	22%	0.22	S	C	.	.	H	α-helix	trans	-61.8	-36.2	178.5	0	0	0	0	0	113.5	E176 R182	E176-A178 PolarHBondContact O-N 3.23Å; E176-A178 VanDerWaalsContact O-N 3.14Å; A178-R182 PolarHBondContact O-N 3.26Å
179	K	92	Very high	92.6	Very high	5 Å²	5	34.9 Å²	34.9	2%	0.022	20%	0.199	C	C	.	.	H	α-helix	trans	-68	-43.5	174.7	-75.1	-172.2	177.4	167.3	0	111.3	E176 P177 L181 R182 T186 E187 S189 Y190 L225	E176-K179 HydrophobicContact CB-CB 4.11Å; E176-K179 HydrophobicContact CB-CD 4.04Å; E176-K179 HydrophobicContact CB-CG 4Å; E176-K179 VanDerWaalsContact CD-CE 3.46Å; E176-K179 VanDerWaalsContact CD-NZ 3.32Å; E176-K179 HydrophobicContact CG-CD 4.48Å; E176-K179 WeakPolarHBondContact O-CB 3.31Å; E176-K179 PolarHBondContact O-N 3Å; E176-K179 WeakPolarHBondContact OE1-CE 3.41Å; E176-K179 IonicContact OE1-NZ 2.84Å; E176-K179 PolarHBondContact OE1-NZ 2.92Å; E176-K179 WeakPolarHBondContact OE2-CE 3.4Å; E176-K179 IonicContact OE2-NZ 2.76Å; E176-K179 PolarHBondContact OE2-NZ 3.04Å; P177-K179 VanDerWaalsContact C-N 3.33Å; P177-K179 PolarHBondContact O-N 3.43Å; K179-L181 VanDerWaalsContact C-N 3.34Å; K179-L181 PolarHBondContact O-N 3.08Å; K179-R182 WeakPolarHBondContact O-CG 3.27Å; K179-R182 PolarHBondContact O-N 2.84Å; K179-R182 VanDerWaalsContact O-N 3.08Å; K179-T186 HydrophobicContact CG-CG2 4Å; K179-E187 VanDerWaalsContact CE-OE1 3.25Å; K179-E187 WeakPolarHBondContact CE-OE1 3.41Å; K179-E187 IonicContact NZ-OE1 2.64Å; K179-E187 PolarHBondContact NZ-OE1 3.47Å; K179-S189 WeakPolarHBondContact CD-O 3.27Å; K179-S189 PolarHBondContact NZ-O 2.91Å; K179-S189 VanDerWaalsContact NZ-O 3.1Å; K179-Y190 HydrophobicContact CB-CD2 4.21Å; K179-Y190 HydrophobicContact CB-CE2 4.49Å; K179-L225 WeakPolarHBondContact O-CD2 3.38Å
180	Y	91.4	Very high	92.9	Very high	9 Å²	9	34.4 Å²	34.4	4%	0.035	20%	0.195	C	C	.	.	H	α-helix	trans	-59.9	-44.9	176.3	174.2	-101.9	0	0	0	112	I139 L142 V143 L166 P174 E176 P177 R182	I139-Y180 HydrophobicContact CB-CE1 4.39Å; I139-Y180 HydrophobicContact CD1-CD2 3.85Å; I139-Y180 HydrophobicContact CD1-CE1 4.43Å; I139-Y180 HydrophobicContact CD1-CE2 3.56Å; I139-Y180 HydrophobicContact CD1-CG 4.43Å; I139-Y180 HydrophobicContact CG1-CD1 4.34Å; I139-Y180 HydrophobicContact CG1-CD2 4.3Å; I139-Y180 HydrophobicContact CG1-CE1 4.12Å; I139-Y180 HydrophobicContact CG1-CE2 4.13Å; I139-Y180 HydrophobicContact CG1-CG 4.41Å; I139-Y180 HydrophobicContact CG2-CE1 3.7Å; I139-Y180 HydrophobicContact CG2-CE2 4.26Å; I139-Y180 VanDerWaalsContact CG2-CZ 3.45Å; I139-Y180 WeakPolarHBondContact CG2-OH 3.39Å; L142-Y180 HydrophobicContact CD2-CD1 3.65Å; L142-Y180 HydrophobicContact CD2-CE1 4.42Å; L142-Y180 HydrophobicContact CD2-CG 4.45Å; V143-Y180 HydrophobicContact CG2-CE1 4.18Å; L166-Y180 HydrophobicContact CD1-CE2 3.72Å; L166-Y180 WeakPolarHBondContact CD1-OH 3.33Å; P174-Y180 HydrophobicContact CG-CD1 4.36Å; P174-Y180 HydrophobicContact CG-CD2 4.42Å; P174-Y180 HydrophobicContact CG-CG 3.89Å; E176-Y180 PolarHBondContact O-N 2.97Å; P177-Y180 PolarHBondContact O-N 2.93Å; Y180-R182 PolarHBondContact O-N 3Å
181	L	88.9	Confident	93.1	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.9	177.7	-68.1	177.8	0	0	0	113.7	L142 E146 Y153 P177 K179 K183	L142-L181 HydrophobicContact CD1-CD1 4Å; L142-L181 HydrophobicContact CD1-CG 4.49Å; L142-L181 HydrophobicContact CD2-CD1 4.48Å; L142-L181 HydrophobicContact CD2-CD2 4.26Å; L142-L181 HydrophobicContact CD2-CG 4.11Å; L142-L181 HydrophobicContact CG-CD1 4.29Å; L142-L181 HydrophobicContact CG-CD2 4.11Å; L142-L181 HydrophobicContact CG-CG 4.26Å; E146-L181 HydrophobicContact CG-CD1 3.64Å; E146-L181 HydrophobicContact CG-CD2 3.91Å; E146-L181 HydrophobicContact CG-CG 4.44Å; E146-L181 VanDerWaalsContact OE1-CD1 3.23Å; E146-L181 WeakPolarHBondContact OE1-CD1 3.25Å; Y153-L181 HydrophobicContact CE1-CD2 4.06Å; Y153-L181 WeakPolarHBondContact OH-CB 3.39Å; Y153-L181 WeakPolarHBondContact OH-CD2 3.2Å; Y153-L181 PolarHBondContact OH-O 3.31Å; Y153-L181 VanDerWaalsContact OH-O 3.09Å; P177-L181 WeakPolarHBondContact O-CB 3.36Å; P177-L181 VanDerWaalsContact O-CG 3.3Å; P177-L181 WeakPolarHBondContact O-CG 3.44Å; P177-L181 PolarHBondContact O-N 3.46Å; K179-L181 VanDerWaalsContact C-N 3.34Å; K179-L181 PolarHBondContact O-N 3.08Å; L181-K183 HydrophobicContact CB-CD 4.45Å; L181-K183 HydrophobicContact CB-CG 4.1Å; L181-K183 HydrophobicContact CD1-CD 4.47Å; L181-K183 PolarHBondContact O-N 2.97Å; L181-K183 VanDerWaalsContact O-N 3.17Å
182	R	86.1	Confident	93.2	Very high	11 Å²	11	34.5 Å²	34.5	4%	0.042	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	47.2	178	-60.5	-175.9	-166	144.2	17.2	111.2	R156 L160 M163 E164 A178 K179 Y180 L225 V228	R156-R182 PolarHBondContact NH2-O 3.15Å; L160-R182 HydrophobicContact CD2-CB 3.94Å; L160-R182 HydrophobicContact CD2-CG 3.9Å; M163-R182 VanDerWaalsContact CE-NH1 3.31Å; E164-R182 IonicContact OE2-NH2 2.77Å; E164-R182 PolarHBondContact OE2-NH2 3.39Å; A178-R182 PolarHBondContact O-N 3.26Å; K179-R182 WeakPolarHBondContact O-CG 3.27Å; K179-R182 PolarHBondContact O-N 2.84Å; K179-R182 VanDerWaalsContact O-N 3.08Å; Y180-R182 PolarHBondContact O-N 3Å; R182-L225 HydrophobicContact CG-CD2 4.14Å; R182-V228 HydrophobicContact CB-CB 4.36Å; R182-V228 HydrophobicContact CB-CG1 3.66Å; R182-V228 HydrophobicContact CB-CG2 3.73Å; R182-V228 HydrophobicContact CG-CG2 3.91Å; R182-V228 WeakPolarHBondContact O-CG1 3.41Å
183	K	81.3	Confident	93.3	Very high	85 Å²	85	34.2 Å²	34.2	37%	0.37	19%	0.193	S	C	.	.			trans	-71.8	-40.3	-178.8	-77	-179.2	173.5	175.5	0	111.6	E146 R156 L181	E146-K183 IonicContact OE1-NZ 3.21Å; E146-K183 PolarHBondContact OE1-NZ 3.24Å; E146-K183 WeakPolarHBondContact OE2-CE 3.25Å; E146-K183 IonicContact OE2-NZ 3.77Å; E146-K183 PolarHBondContact OE2-NZ 3.34Å; R156-K183 PolarHBondContact NH2-O 2.93Å; L181-K183 HydrophobicContact CB-CD 4.45Å; L181-K183 HydrophobicContact CB-CG 4.1Å; L181-K183 HydrophobicContact CD1-CD 4.47Å; L181-K183 PolarHBondContact O-N 2.97Å; L181-K183 VanDerWaalsContact O-N 3.17Å
184	T	84.6	Confident	93.4	Very high	94 Å²	94	32 Å²	32	58%	0.577	19%	0.185	S	C	*	.	S	Bend	trans	-132.5	157.7	177.9	52.9	0	0	0	0	110
185	A	89.4	Confident	93.4	Very high	42 Å²	42	34.7 Å²	34.7	35%	0.347	20%	0.197	S	C	.	.			trans	-61.6	139.2	169.3	0	0	0	0	0	110.4	L225 V228	A185-L225 WeakPolarHBondContact CA-O 3.33Å; A185-V228 WeakPolarHBondContact CB-O 3.49Å
186	T	93.5	Very high	93.3	Very high	31 Å²	31	34 Å²	34	19%	0.19	19%	0.193	C	C	.	.			trans	-134.6	177.6	175.1	65.1	0	0	0	0	110.2	K179 L225 P226	K179-T186 HydrophobicContact CG-CG2 4Å; T186-L225 PolarHBondContact N-O 3.31Å; T186-P226 WeakPolarHBondContact O-CA 3.43Å
187	E	95.1	Very high	93.2	Very high	109 Å²	109	36.8 Å²	36.8	51%	0.509	20%	0.204	S	C	.	.			trans	-56.8	156.8	165.2	72.5	-81.1	-164.2	0	0	111.5	K179 S189	K179-E187 VanDerWaalsContact CE-OE1 3.25Å; K179-E187 WeakPolarHBondContact CE-OE1 3.41Å; K179-E187 IonicContact NZ-OE1 2.64Å; K179-E187 PolarHBondContact NZ-OE1 3.47Å; E187-S189 WeakPolarHBondContact CG-OG 3.26Å; E187-S189 PolarHBondContact O-N 3.33Å
188	A	96.7	Very high	93.2	Very high	19 Å²	19	37.2 Å²	37.2	16%	0.157	20%	0.202	C	C	.	.	S	Bend	trans	-83.7	46.4	-177.4	0	0	0	0	0	111.9	T222 P226 V262 S263	A188-T222 WeakPolarHBondContact O-CG2 3.27Å; A188-P226 HydrophobicContact CB-CG 3.54Å; A188-V262 CarbonylContact O-C 3.49Å; A188-V262 WeakPolarHBondContact O-CA 3.3Å; A188-S263 PolarHBondContact O-N 2.91Å
189	S	97.3	Very high	93.3	Very high	30 Å²	30	39.4 Å²	39.4	21%	0.21	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.4	175.5	71.3	0	0	0	0	110.7	K179 E187 T261	K179-S189 WeakPolarHBondContact CD-O 3.27Å; K179-S189 PolarHBondContact NZ-O 2.91Å; K179-S189 VanDerWaalsContact NZ-O 3.1Å; E187-S189 WeakPolarHBondContact CG-OG 3.26Å; E187-S189 PolarHBondContact O-N 3.33Å; S189-T261 WeakPolarHBondContact CA-O 3.48Å
190	Y	97.1	Very high	93.4	Very high	9 Å²	9	39.9 Å²	39.9	4%	0.035	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	140.7	-177.9	-176.7	-108.6	0	0	0	110.6	P174 K179 C192 C218 T222 T261	P174-Y190 HydrophobicContact CB-CE2 4.28Å; P174-Y190 WeakPolarHBondContact CB-OH 3.4Å; P174-Y190 WeakPolarHBondContact CG-OH 3.3Å; K179-Y190 HydrophobicContact CB-CD2 4.21Å; K179-Y190 HydrophobicContact CB-CE2 4.49Å; Y190-C192 HydrophobicContact CE1-CB 3.79Å; Y190-C218 HydrophobicContact CD1-CB 4.19Å; Y190-C218 HydrophobicContact CE1-CB 4.24Å; Y190-T222 WeakPolarHBondContact CB-OG1 3.3Å; Y190-T261 PolarHBondContact N-O 2.82Å; Y190-T261 PolarHBondContact O-N 3.32Å; Y190-T261 PolarHBondContact O-OG1 3.37Å
191	M	98.1	Very high	93.4	Very high	34 Å²	34	41 Å²	41	17%	0.167	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	136.5	176	-72.7	178.1	-78.7	0	0	110	P128 V130 V175 L258 Y259 E260	P128-M191 HydrophobicContact CB-SD 3.88Å; P128-M191 HydrophobicContact CG-SD 4.11Å; V130-M191 HydrophobicContact CG1-CE 4.01Å; V130-M191 HydrophobicContact CG1-SD 3.8Å; V175-M191 HydrophobicContact CB-CB 4Å; V175-M191 WeakPolarHBondContact CB-O 3.35Å; V175-M191 HydrophobicContact CG2-CB 3.75Å; V175-M191 PolarHBondContact N-O 3.34Å; M191-L258 HydrophobicContact CB-CD1 4.25Å; M191-Y259 WeakPolarHBondContact CA-O 3.3Å; M191-E260 HydrophobicContact CG-CB 3.98Å; M191-E260 HydrophobicContact CG-CG 4Å; M191-E260 HydrophobicContact SD-CG 4.42Å
192	C	98.1	Very high	93.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148.1	172.6	63.4	0	0	0	0	110.7	I172 R173 Y190 Y259	I172-C192 HydrophobicContact CG2-CB 4.06Å; R173-C192 CarbonylContact O-C 3.54Å; R173-C192 VanDerWaalsContact O-CA 3.3Å; R173-C192 WeakPolarHBondContact O-CA 3.34Å; Y190-C192 HydrophobicContact CE1-CB 3.79Å; C192-Y259 PolarHBondContact N-O 2.81Å; C192-Y259 PolarHBondContact O-N 2.86Å
193	W	98.5	Very high	94	Very high	2 Å²	2	50 Å²	50	1%	0.008	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	136.4	165.2	-69.7	94.3	0	0	0	109.1	V130 P131 P133 I172 R173 W256 M257 L258	V130-W193 HydrophobicContact CG2-CZ2 4.06Å; P131-W193 PolarHBondContact O-NE1 2.91Å; P133-W193 HydrophobicContact CB-CB 4.01Å; P133-W193 HydrophobicContact CB-CD2 4.17Å; P133-W193 HydrophobicContact CB-CG 3.83Å; P133-W193 HydrophobicContact CG-CD2 4.11Å; P133-W193 HydrophobicContact CG-CE3 4.33Å; P133-W193 HydrophobicContact CG-CG 4.3Å; I172-W193 CarbonylContact C-O 3.6Å; I172-W193 VanDerWaalsContact CA-O 3.27Å; I172-W193 WeakPolarHBondContact CA-O 3.33Å; R173-W193 HydrophobicContact CB-CB 4.33Å; R173-W193 PolarHBondContact N-O 2.78Å; R173-W193 PolarHBondContact O-N 2.84Å; W193-W256 HydrophobicContact CB-CE3 3.73Å; W193-W256 HydrophobicContact CB-CZ3 3.85Å; W193-W256 HydrophobicContact CE3-CB 3.94Å; W193-W256 HydrophobicContact CZ3-CB 4.23Å; W193-M257 CarbonylContact C-O 3.51Å; W193-M257 WeakPolarHBondContact CA-O 3.15Å; W193-M257 VanDerWaalsContact CE3-C 3.46Å; W193-L258 HydrophobicContact CD2-CB 4.22Å; W193-L258 HydrophobicContact CD2-CD1 4.24Å; W193-L258 HydrophobicContact CE3-CB 3.96Å; W193-L258 HydrophobicContact CG-CD1 4.46Å; W193-L258 HydrophobicContact CH2-CB 3.92Å; W193-L258 HydrophobicContact CZ2-CB 4.18Å; W193-L258 HydrophobicContact CZ2-CD1 4.41Å; W193-L258 HydrophobicContact CZ3-CB 3.81Å
194	V	98	Very high	94.7	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.7	177.3	-60.6	0	0	0	0	109.9	D171 I172 M253 M257 M277	D171-V194 WeakPolarHBondContact O-CA 3.49Å; I172-V194 HydrophobicContact CG1-CG1 4.19Å; I172-V194 HydrophobicContact CG2-CG1 4.18Å; V194-M253 HydrophobicContact CG2-CE 4.19Å; V194-M257 HydrophobicContact CG2-CB 4.05Å; V194-M257 PolarHBondContact N-O 2.84Å; V194-M257 PolarHBondContact O-N 3.35Å; V194-M277 HydrophobicContact CG2-CE 4.36Å
195	K	97.5	Very high	95.2	Very high	57 Å²	57	44.4 Å²	44.4	25%	0.248	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	130.8	174.7	-177.2	177.8	70.5	168.1	0	110.2	F170 D171 K197 D254 E255 W256	F170-K195 CarbonylContact C-O 3.57Å; F170-K195 VanDerWaalsContact CA-O 3.29Å; F170-K195 WeakPolarHBondContact CA-O 3.21Å; D171-K195 PolarHBondContact N-O 3.19Å; D171-K195 PolarHBondContact O-N 2.88Å; K195-K197 PolarHBondContact O-N 2.87Å; K195-D254 WeakPolarHBondContact CD-O 3.33Å; K195-D254 WeakPolarHBondContact CG-O 3.35Å; K195-E255 WeakPolarHBondContact CG-O 3.36Å; K195-W256 HydrophobicContact CB-CD2 3.81Å; K195-W256 HydrophobicContact CB-CE3 3.44Å; K195-W256 VanDerWaalsContact CB-CE3 3.44Å; K195-W256 HydrophobicContact CB-CH2 4.18Å; K195-W256 HydrophobicContact CB-CZ3 3.64Å; K195-W256 HydrophobicContact CD-CD2 3.97Å; K195-W256 HydrophobicContact CD-CE3 4.48Å; K195-W256 HydrophobicContact CD-CG 4.14Å; K195-W256 HydrophobicContact CG-CD2 4.47Å
196	A	95.9	Very high	95.6	Very high	3 Å²	3	44.8 Å²	44.8	3%	0.025	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	134.1	169.8	0	0	0	0	0	109.6	L9 F170 E198 I200 M253 D254	L9-A196 HydrophobicContact CD2-CB 3.99Å; F170-A196 HydrophobicContact CD1-CB 4.36Å; F170-A196 HydrophobicContact CE1-CB 4.13Å; A196-E198 VanDerWaalsContact C-N 3.26Å; A196-E198 PolarHBondContact O-N 3.44Å; A196-I200 HydrophobicContact CB-CD1 3.91Å; A196-I200 HydrophobicContact CB-CG1 4.4Å; A196-M253 WeakPolarHBondContact CB-O 3.47Å; A196-M253 PolarHBondContact N-O 3.23Å; A196-D254 HydrophobicContact CB-CB 4.36Å
197	K	94.5	Very high	95.8	Very high	126 Å²	126	43.5 Å²	43.5	55%	0.548	24%	0.236	S	C	.	.	S	Bend	trans	-72.7	-22.2	-175.3	-73.3	176.1	174.9	161.3	0	113.5	T168 T169 F170 D171 K195	T168-K197 WeakPolarHBondContact O-CD 3.49Å; T168-K197 PolarHBondContact O-NZ 2.96Å; T169-K197 WeakPolarHBondContact O-CB 3.27Å; T169-K197 WeakPolarHBondContact O-CG 3.42Å; T169-K197 PolarHBondContact O-N 2.86Å; F170-K197 WeakPolarHBondContact O-CE 3.48Å; F170-K197 PolarHBondContact O-NZ 2.85Å; D171-K197 HydrophobicContact CB-CG 4.33Å; K195-K197 PolarHBondContact O-N 2.87Å
198	E	91.9	Very high	95.9	Very high	52 Å²	52	38.3 Å²	38.3	24%	0.243	21%	0.212	C	C	.	.	S	Bend	trans	-119.6	148.1	-174.9	-69.6	164.7	170	0	0	109.5	E8 L9 A196	E8-E198 WeakPolarHBondContact CA-OE2 3.26Å; L9-E198 PolarHBondContact N-OE2 2.78Å; A196-E198 VanDerWaalsContact C-N 3.26Å; A196-E198 PolarHBondContact O-N 3.44Å
199	P	93.7	Very high	96	Very high	106 Å²	106	37.4 Å²	37.4	69%	0.688	21%	0.205	S	C	*	.			trans	-57.7	139.3	175.4	-23	33.9	0	0	0	111.9	D254	P199-D254 WeakPolarHBondContact CA-OD2 3.21Å
200	I	93.5	Very high	96	Very high	14 Å²	14	36 Å²	36	7%	0.072	20%	0.195	C	C	.	.			trans	-93.8	-20.5	-179.4	-72.5	165.1	0	0	0	112.2	V10 A196 L206 T210 M253 D254	V10-I200 HydrophobicContact CG2-CB 4.35Å; V10-I200 HydrophobicContact CG2-CG1 4.05Å; V10-I200 HydrophobicContact CG2-CG2 4.01Å; A196-I200 HydrophobicContact CB-CD1 3.91Å; A196-I200 HydrophobicContact CB-CG1 4.4Å; I200-L206 HydrophobicContact CG2-CB 3.79Å; I200-T210 HydrophobicContact CD1-CG2 3.79Å; I200-M253 HydrophobicContact CD1-CB 3.56Å; I200-D254 HydrophobicContact CD1-CB 4.26Å; I200-D254 HydrophobicContact CG1-CB 4.4Å; I200-D254 PolarHBondContact N-OD2 3.21Å
201	G	92.5	Very high	96	Very high	34 Å²	34	35.6 Å²	35.6	35%	0.351	19%	0.193	S	C	.	.			trans	101.3	-164.7	-169.2	0	0	0	0	0	112	H207 R252	G201-H207 PolarHBondContact O-NE2 2.81Å; G201-R252 PolarHBondContact O-NH1 2.81Å; G201-R252 PolarHBondContact O-NH2 2.83Å
202	D	93.1	Very high	96	Very high	145 Å²	145	34 Å²	34	78%	0.775	19%	0.185	S	C	*	.	S	Bend	trans	-111.3	-4.4	-173.1	-65.1	-34.3	0	0	0	114.3	S204 R252	D202-S204 PolarHBondContact O-N 3.39Å; D202-S204 VanDerWaalsContact O-N 3.12Å; D202-R252 IonicContact OD1-CZ 3.27Å; D202-R252 IonicContact OD1-NH1 3.58Å; D202-R252 PolarHBondContact OD1-NH1 3.27Å
203	D	93.8	Very high	95.9	Very high	58 Å²	58	34 Å²	34	31%	0.31	19%	0.185	S	C	.	.			trans	-71.5	108.1	172.3	-172.7	-22.5	0	0	0	109.3	R205 L206	D203-R205 PolarHBondContact O-N 2.88Å; D203-R205 VanDerWaalsContact O-N 3.1Å; D203-R205 VanDerWaalsContact OD1-CB 3.26Å; D203-R205 WeakPolarHBondContact OD1-CB 3.49Å; D203-R205 WeakPolarHBondContact OD1-CG 3.39Å; D203-R205 PolarHBondContact OD1-N 3.02Å; D203-R205 IonicContact OD1-NE 3.72Å; D203-R205 PolarHBondContact OD1-NE 3.17Å; D203-R205 VanDerWaalsContact OD1-NE 3.14Å; D203-R205 IonicContact OD1-NH2 2.9Å; D203-R205 IonicContact OD2-CZ 3.73Å; D203-R205 IonicContact OD2-NE 3.67Å; D203-R205 PolarHBondContact OD2-NE 2.86Å; D203-R205 IonicContact OD2-NH2 3.23Å; D203-R205 PolarHBondContact OD2-NH2 2.91Å; D203-L206 HydrophobicContact CB-CD1 4.06Å; D203-L206 HydrophobicContact CB-CG 4.06Å; D203-L206 WeakPolarHBondContact O-CB 3.44Å; D203-L206 PolarHBondContact O-N 3Å
204	S	95.5	Very high	95.8	Very high	33 Å²	33	33.9 Å²	33.9	23%	0.231	19%	0.185	C	C	.	.	H	α-helix	trans	-54.7	-30.3	179.1	59.4	0	0	0	0	113.2	D202 L206 H207 L208 N249	D202-S204 PolarHBondContact O-N 3.39Å; D202-S204 VanDerWaalsContact O-N 3.12Å; S204-L206 VanDerWaalsContact C-N 3.27Å; S204-L206 PolarHBondContact O-N 2.79Å; S204-H207 WeakPolarHBondContact O-CB 3.34Å; S204-H207 PolarHBondContact O-N 2.98Å; S204-H207 VanDerWaalsContact O-N 3.16Å; S204-L208 WeakPolarHBondContact O-CG 3.39Å; S204-L208 PolarHBondContact O-N 2.93Å; S204-N249 VanDerWaalsContact CB-O 3.3Å; S204-N249 WeakPolarHBondContact CB-O 3.39Å
205	R	96.5	Very high	95.8	Very high	28 Å²	28	33.9 Å²	33.9	11%	0.106	19%	0.185	C	C	.	.	H	α-helix	trans	-70.3	-26.5	180	-54.9	171	-59.8	179.4	-5.4	111.8	T53 D58 Y60 H61 D203 L208 C209	T53-R205 HydrophobicContact CG2-CB 3.88Å; T53-R205 HydrophobicContact CG2-CG 4.32Å; D58-R205 IonicContact OD1-CZ 2.76Å; D58-R205 IonicContact OD1-NH1 3.39Å; D58-R205 PolarHBondContact OD1-NH1 2.9Å; D58-R205 IonicContact OD1-NH2 3.95Å; D58-R205 PolarHBondContact OD1-NH2 3.39Å; Y60-R205 WeakPolarHBondContact O-CD 3.47Å; H61-R205 HydrophobicContact CB-CG 4.3Å; D203-R205 PolarHBondContact O-N 2.88Å; D203-R205 VanDerWaalsContact O-N 3.1Å; D203-R205 VanDerWaalsContact OD1-CB 3.26Å; D203-R205 WeakPolarHBondContact OD1-CB 3.49Å; D203-R205 WeakPolarHBondContact OD1-CG 3.39Å; D203-R205 PolarHBondContact OD1-N 3.02Å; D203-R205 IonicContact OD1-NE 3.72Å; D203-R205 PolarHBondContact OD1-NE 3.17Å; D203-R205 VanDerWaalsContact OD1-NE 3.14Å; D203-R205 IonicContact OD1-NH2 2.9Å; D203-R205 IonicContact OD2-CZ 3.73Å; D203-R205 IonicContact OD2-NE 3.67Å; D203-R205 PolarHBondContact OD2-NE 2.86Å; D203-R205 IonicContact OD2-NH2 3.23Å; D203-R205 PolarHBondContact OD2-NH2 2.91Å; R205-L208 PolarHBondContact O-N 2.94Å; R205-C209 PolarHBondContact O-N 3Å; R205-C209 PolarHBondContact O-SG 2.78Å
206	L	96.1	Very high	95.7	Very high	49 Å²	49	31.9 Å²	31.9	26%	0.257	18%	0.177	S	C	.	.	H	α-helix	trans	-70.5	-36.6	171.6	-66.2	178.3	0	0	0	111.6	V10 I200 D203 S204 C209 T210	V10-L206 HydrophobicContact CG1-CD1 4.29Å; V10-L206 HydrophobicContact CG1-CD2 4.12Å; I200-L206 HydrophobicContact CG2-CB 3.79Å; D203-L206 HydrophobicContact CB-CD1 4.06Å; D203-L206 HydrophobicContact CB-CG 4.06Å; D203-L206 WeakPolarHBondContact O-CB 3.44Å; D203-L206 PolarHBondContact O-N 3Å; S204-L206 VanDerWaalsContact C-N 3.27Å; S204-L206 PolarHBondContact O-N 2.79Å; L206-C209 PolarHBondContact O-N 3.04Å; L206-T210 WeakPolarHBondContact O-CB 3.25Å; L206-T210 PolarHBondContact O-N 2.7Å; L206-T210 PolarHBondContact O-OG1 3.23Å
207	H	97.6	Very high	95.5	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.019	18%	0.177	C	C	.	.	H	α-helix	trans	-64.6	-40.6	171.5	-66.6	-68.3	0	0	0	111.6	G201 S204 T210 A211 F251 M253 D254	G201-H207 PolarHBondContact O-NE2 2.81Å; S204-H207 WeakPolarHBondContact O-CB 3.34Å; S204-H207 PolarHBondContact O-N 2.98Å; S204-H207 VanDerWaalsContact O-N 3.16Å; H207-T210 PolarHBondContact O-N 3.27Å; H207-A211 WeakPolarHBondContact O-CB 3.14Å; H207-A211 PolarHBondContact O-N 3.34Å; H207-F251 WeakPolarHBondContact CB-O 3.49Å; H207-M253 HydrophobicContact CB-CG 4.46Å; H207-M253 PolarHBondContact ND1-N 3.16Å; H207-M253 VanDerWaalsContact O-CG 3.27Å; H207-M253 WeakPolarHBondContact O-CG 3.49Å; H207-D254 IonicContact CE1-OD1 3.16Å; H207-D254 PolarHBondContact CE1-OD1 2.82Å; H207-D254 IonicContact CE1-OD2 3.26Å
208	L	98.3	Very high	95.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.6	-47.3	172.1	-64.6	173	0	0	0	111.4	M49 H61 P62 S204 R205 T210 A211 A212 F246 N249 F251	M49-L208 HydrophobicContact CE-CB 3.72Å; M49-L208 WeakPolarHBondContact CE-O 3.41Å; H61-L208 HydrophobicContact CB-CD1 3.91Å; P62-L208 HydrophobicContact CB-CD1 4.46Å; P62-L208 HydrophobicContact CG-CD1 4.3Å; S204-L208 WeakPolarHBondContact O-CG 3.39Å; S204-L208 PolarHBondContact O-N 2.93Å; R205-L208 PolarHBondContact O-N 2.94Å; L208-T210 VanDerWaalsContact C-N 3.28Å; L208-T210 PolarHBondContact O-N 2.85Å; L208-A211 PolarHBondContact O-N 3.36Å; L208-A212 PolarHBondContact O-N 3.41Å; L208-F246 HydrophobicContact CB-CE1 4.31Å; L208-F246 HydrophobicContact CB-CZ 4.21Å; L208-F246 HydrophobicContact CD2-CB 4.11Å; L208-F246 HydrophobicContact CD2-CD1 3.25Å; L208-F246 HydrophobicContact CD2-CD2 4.19Å; L208-F246 HydrophobicContact CD2-CE1 3.55Å; L208-F246 HydrophobicContact CD2-CE2 4.44Å; L208-F246 HydrophobicContact CD2-CG 3.6Å; L208-F246 HydrophobicContact CD2-CZ 4.15Å; L208-F246 WeakPolarHBondContact O-CZ 3.41Å; L208-N249 HydrophobicContact CD1-CB 4.1Å; L208-N249 HydrophobicContact CD2-CB 4.49Å; L208-F251 HydrophobicContact CD2-CE1 3.52Å; L208-F251 HydrophobicContact CD2-CZ 3.82Å
209	C	97.9	Very high	95.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.007	14%	0.141	C	C	.	.	H	α-helix	trans	-60.4	-37.7	176.1	-67.7	0	0	0	0	112.5	L14 M49 V50 R205 L206 A212 F213	L14-C209 HydrophobicContact CD1-CB 4.34Å; M49-C209 VanDerWaalsContact CE-CA 3.41Å; M49-C209 HydrophobicContact CE-CB 4.27Å; V50-C209 HydrophobicContact CG2-CB 3.72Å; R205-C209 PolarHBondContact O-N 3Å; R205-C209 PolarHBondContact O-SG 2.78Å; L206-C209 PolarHBondContact O-N 3.04Å; C209-A212 PolarHBondContact O-N 3.02Å; C209-F213 WeakPolarHBondContact O-CB 3.45Å; C209-F213 PolarHBondContact O-N 3.29Å
210	T	97.1	Very high	95.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-71.3	-37	177.3	-56.4	0	0	0	0	112	L9 F170 I200 L206 H207 L208 F213 I214 M253	L9-T210 HydrophobicContact CD2-CG2 3.76Å; F170-T210 HydrophobicContact CE1-CG2 4.06Å; F170-T210 HydrophobicContact CZ-CG2 3.59Å; I200-T210 HydrophobicContact CD1-CG2 3.79Å; L206-T210 WeakPolarHBondContact O-CB 3.25Å; L206-T210 PolarHBondContact O-N 2.7Å; L206-T210 PolarHBondContact O-OG1 3.23Å; H207-T210 PolarHBondContact O-N 3.27Å; L208-T210 VanDerWaalsContact C-N 3.28Å; L208-T210 PolarHBondContact O-N 2.85Å; T210-F213 WeakPolarHBondContact O-CB 3.38Å; T210-F213 PolarHBondContact O-N 3.35Å; T210-I214 PolarHBondContact O-N 3.33Å; T210-M253 HydrophobicContact CG2-CB 3.77Å; T210-M253 HydrophobicContact CG2-CG 4.08Å
211	A	98.1	Very high	95.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.3	-43.6	173.4	0	0	0	0	0	111.1	H207 L208 F213 I214 S215 F246 F251 M253 M277 L286	H207-A211 WeakPolarHBondContact O-CB 3.14Å; H207-A211 PolarHBondContact O-N 3.34Å; L208-A211 PolarHBondContact O-N 3.36Å; A211-F213 VanDerWaalsContact C-N 3.29Å; A211-F213 PolarHBondContact O-N 3.5Å; A211-I214 WeakPolarHBondContact O-CG2 3.25Å; A211-I214 PolarHBondContact O-N 2.88Å; A211-S215 VanDerWaalsContact O-CB 3.23Å; A211-S215 WeakPolarHBondContact O-CB 3.35Å; A211-S215 PolarHBondContact O-N 2.89Å; A211-S215 PolarHBondContact O-OG 3.43Å; A211-F246 HydrophobicContact CB-CE1 3.91Å; A211-F246 HydrophobicContact CB-CZ 4.46Å; A211-F251 HydrophobicContact CB-CE2 3.9Å; A211-F251 HydrophobicContact CB-CZ 3.8Å; A211-M253 HydrophobicContact CB-CG 3.93Å; A211-M253 HydrophobicContact CB-SD 3.77Å; A211-M277 HydrophobicContact CB-SD 4.36Å; A211-L286 HydrophobicContact CB-CD2 4.14Å
212	A	98.1	Very high	95.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58.4	-42.2	172.7	0	0	0	0	0	111.3	V45 M49 L208 C209 S215 M244 F246	V45-A212 HydrophobicContact CG1-CB 4.18Å; M49-A212 HydrophobicContact CE-CB 3.78Å; M49-A212 HydrophobicContact SD-CB 4.31Å; L208-A212 PolarHBondContact O-N 3.41Å; C209-A212 PolarHBondContact O-N 3.02Å; A212-S215 PolarHBondContact O-N 3.49Å; A212-S215 PolarHBondContact O-OG 3.05Å; A212-M244 HydrophobicContact CB-CE 3.74Å; A212-M244 HydrophobicContact CB-SD 3.72Å; A212-F246 HydrophobicContact CB-CZ 4.37Å
213	F	96.8	Very high	95.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-58.1	-53.3	176.1	176.4	-79.5	0	0	0	112.9	L9 F13 L14 I30 Y40 G42 Q43 P167 F170 C209 T210 A211 S215	L9-F213 HydrophobicContact CD1-CE1 4.37Å; L9-F213 HydrophobicContact CD1-CZ 4.42Å; F13-F213 HydrophobicContact CB-CE2 4.31Å; L14-F213 HydrophobicContact CD2-CB 4.25Å; L14-F213 HydrophobicContact CD2-CD2 3.82Å; L14-F213 HydrophobicContact CD2-CG 4.42Å; I30-F213 HydrophobicContact CD1-CE2 4.47Å; I30-F213 HydrophobicContact CD1-CZ 3.9Å; Y40-F213 HydrophobicContact CD1-CE1 4.31Å; Y40-F213 HydrophobicContact CD1-CE2 4.2Å; Y40-F213 AromaticContact CD1-CZ 3.89Å; Y40-F213 HydrophobicContact CD1-CZ 3.89Å; Y40-F213 HydrophobicContact CE1-CD1 4.21Å; Y40-F213 AromaticContact CE1-CE1 3.82Å; Y40-F213 HydrophobicContact CE1-CE1 3.82Å; Y40-F213 HydrophobicContact CE1-CE2 4.29Å; Y40-F213 AromaticContact CE1-CZ 3.86Å; Y40-F213 HydrophobicContact CE1-CZ 3.86Å; Y40-F213 PolarHBondContact OH-O 3.47Å; G42-F213 WeakPolarHBondContact CA-O 3.37Å; G42-F213 WeakPolarHBondContact O-CA 3.46Å; Q43-F213 HydrophobicContact CB-CD2 4.18Å; Q43-F213 HydrophobicContact CB-CE2 3.67Å; Q43-F213 HydrophobicContact CG-CD2 4.46Å; Q43-F213 HydrophobicContact CG-CE2 3.94Å; P167-F213 HydrophobicContact CB-CE1 3.84Å; P167-F213 HydrophobicContact CB-CZ 4.34Å; P167-F213 HydrophobicContact CG-CE1 3.96Å; F170-F213 AromaticContact CE2-CD1 3.88Å; F170-F213 HydrophobicContact CE2-CD1 3.88Å; F170-F213 AromaticContact CE2-CE1 3.87Å; F170-F213 HydrophobicContact CE2-CE1 3.87Å; F170-F213 HydrophobicContact CZ-CD1 4.23Å; C209-F213 WeakPolarHBondContact O-CB 3.45Å; C209-F213 PolarHBondContact O-N 3.29Å; T210-F213 WeakPolarHBondContact O-CB 3.38Å; T210-F213 PolarHBondContact O-N 3.35Å; A211-F213 VanDerWaalsContact C-N 3.29Å; A211-F213 PolarHBondContact O-N 3.5Å; F213-S215 VanDerWaalsContact C-N 3.29Å; F213-S215 PolarHBondContact O-N 3.11Å
214	I	96.4	Very high	95.6	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-75.4	-20.6	-175.1	-168.8	62.5	0	0	0	112.4	P167 F170 I172 T210 A211 D216 S217 M253 M277	P167-I214 HydrophobicContact CG-CD1 3.3Å; F170-I214 HydrophobicContact CD1-CD1 4.15Å; F170-I214 HydrophobicContact CD1-CG1 4.14Å; F170-I214 HydrophobicContact CD2-CD1 3.95Å; F170-I214 HydrophobicContact CE1-CB 3.94Å; F170-I214 HydrophobicContact CE1-CD1 4.33Å; F170-I214 HydrophobicContact CE1-CG1 4.06Å; F170-I214 HydrophobicContact CE1-CG2 4.29Å; F170-I214 HydrophobicContact CE2-CB 4.39Å; F170-I214 HydrophobicContact CE2-CD1 4.12Å; F170-I214 HydrophobicContact CG-CD1 3.94Å; F170-I214 HydrophobicContact CG-CG1 4.45Å; F170-I214 HydrophobicContact CZ-CB 3.84Å; F170-I214 HydrophobicContact CZ-CD1 4.3Å; F170-I214 HydrophobicContact CZ-CG1 4.27Å; F170-I214 HydrophobicContact CZ-CG2 4.48Å; I172-I214 HydrophobicContact CD1-CD1 4.41Å; T210-I214 PolarHBondContact O-N 3.33Å; A211-I214 WeakPolarHBondContact O-CG2 3.25Å; A211-I214 PolarHBondContact O-N 2.88Å; I214-D216 VanDerWaalsContact C-N 3.26Å; I214-D216 PolarHBondContact O-N 2.85Å; I214-S217 WeakPolarHBondContact O-CB 3.49Å; I214-S217 PolarHBondContact O-N 2.93Å; I214-S217 PolarHBondContact O-OG 3.07Å; I214-M253 HydrophobicContact CG2-CE 3.78Å; I214-M277 HydrophobicContact CG2-CE 3.8Å
215	S	96.8	Very high	95.5	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-66.6	-19.8	-173.8	69	0	0	0	0	115.4	A211 A212 F213 M219 H242 Y259	A211-S215 VanDerWaalsContact O-CB 3.23Å; A211-S215 WeakPolarHBondContact O-CB 3.35Å; A211-S215 PolarHBondContact O-N 2.89Å; A211-S215 PolarHBondContact O-OG 3.43Å; A212-S215 PolarHBondContact O-N 3.49Å; A212-S215 PolarHBondContact O-OG 3.05Å; F213-S215 VanDerWaalsContact C-N 3.29Å; F213-S215 PolarHBondContact O-N 3.11Å; S215-M219 VanDerWaalsContact O-SD 3.32Å; S215-H242 PolarHBondContact OG-NE2 3.32Å; S215-Y259 PolarHBondContact O-OH 3.08Å
216	D	95.3	Very high	95.3	Very high	16 Å²	16	7.1 Å²	7.1	9%	0.086	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	5.8	172	-178.9	52.3	0	0	0	111.6	Y40 G41 G42 I214 S239 Q290	Y40-D216 HydrophobicContact CE2-CB 4.4Å; Y40-D216 VanDerWaalsContact OH-C 3.25Å; G41-D216 VanDerWaalsContact C-OD2 3.23Å; G41-D216 VanDerWaalsContact CA-OD2 3.25Å; G41-D216 WeakPolarHBondContact CA-OD2 3.42Å; G42-D216 PolarHBondContact N-OD2 3.09Å; I214-D216 VanDerWaalsContact C-N 3.26Å; I214-D216 PolarHBondContact O-N 2.85Å; D216-S239 PolarHBondContact OD1-OG 3.05Å; D216-Q290 PolarHBondContact OD1-NE2 3.31Å; D216-Q290 PolarHBondContact OD1-OE1 3.22Å
217	S	92.2	Very high	95	Very high	3 Å²	3	7.5 Å²	7.5	2%	0.021	4%	0.042	C	C	.	.	S	Bend	trans	-87.2	160.7	166.3	-61.7	0	0	0	0	110	Y40 H165 I214 M219	Y40-S217 PolarHBondContact OH-N 3.46Å; Y40-S217 PolarHBondContact OH-OG 2.99Å; H165-S217 PolarHBondContact O-OG 2.82Å; I214-S217 WeakPolarHBondContact O-CB 3.49Å; I214-S217 PolarHBondContact O-N 2.93Å; I214-S217 PolarHBondContact O-OG 3.07Å; S217-M219 PolarHBondContact O-N 2.79Å
218	C	90.7	Very high	94	Very high	5 Å²	5	8.3 Å²	8.3	3%	0.034	5%	0.047	C	C	.	.	S	Bend	trans	65.9	-15	173.4	-53.3	0	0	0	0	117.4	E164 Y190 S221 T222 Y259	E164-C218 WeakPolarHBondContact OE1-CA 3.3Å; E164-C218 PolarHBondContact OE1-N 3.17Å; Y190-C218 HydrophobicContact CD1-CB 4.19Å; Y190-C218 HydrophobicContact CE1-CB 4.24Å; C218-S221 VanDerWaalsContact CA-OG 3.25Å; C218-S221 WeakPolarHBondContact CA-OG 3.18Å; C218-S221 PolarHBondContact O-OG 3.39Å; C218-T222 PolarHBondContact O-N 3.24Å; C218-T222 PolarHBondContact O-OG1 3.31Å; C218-Y259 HydrophobicContact CB-CD1 4.39Å; C218-Y259 HydrophobicContact CB-CE1 4.39Å
219	M	95	Very high	92.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-75.4	-57.9	-174.3	-63.1	-164.7	77.9	0	0	112.6	S215 S217 S221 T222 A223 H242 Y259 T261 I273 T288 Q290	S215-M219 VanDerWaalsContact O-SD 3.32Å; S217-M219 PolarHBondContact O-N 2.79Å; M219-S221 VanDerWaalsContact C-N 3.27Å; M219-S221 PolarHBondContact O-N 2.81Å; M219-T222 WeakPolarHBondContact O-CB 3.35Å; M219-T222 PolarHBondContact O-N 3.46Å; M219-T222 VanDerWaalsContact O-N 3.15Å; M219-A223 PolarHBondContact O-N 3.37Å; M219-H242 VanDerWaalsContact SD-CE1 3.52Å; M219-Y259 WeakPolarHBondContact CG-OH 3.18Å; M219-Y259 PolarHBondContact SD-OH 3.38Å; M219-Y259 VanDerWaalsContact SD-OH 3.36Å; M219-T261 HydrophobicContact CG-CG2 4.06Å; M219-I273 HydrophobicContact CB-CB 4.32Å; M219-I273 HydrophobicContact CB-CG2 3.99Å; M219-I273 HydrophobicContact CE-CB 3.97Å; M219-I273 HydrophobicContact CE-CG2 3.8Å; M219-I273 VanDerWaalsContact CE-O 3.25Å; M219-I273 WeakPolarHBondContact CE-O 3.36Å; M219-I273 HydrophobicContact CG-CG2 4.4Å; M219-I273 WeakPolarHBondContact O-CG1 3.38Å; M219-T288 WeakPolarHBondContact CE-OG1 3.48Å; M219-Q290 HydrophobicContact CE-CB 3.58Å; M219-Q290 HydrophobicContact SD-CB 3.73Å; M219-Q290 HydrophobicContact SD-CG 4.42Å; M219-Q290 PolarHBondContact SD-OE1 3.1Å
220	V	93.9	Very high	91.6	Very high	20 Å²	20	17 Å²	17	12%	0.121	10%	0.103	C	C	.	.	H	α-helix	trans	-60.6	-38.4	-178.9	-178.2	0	0	0	0	111.7	T222 A223 L224 A237 A292 I294	V220-T222 VanDerWaalsContact C-N 3.32Å; V220-T222 PolarHBondContact O-N 2.93Å; V220-A223 PolarHBondContact O-N 2.97Å; V220-L224 PolarHBondContact O-N 2.82Å; V220-A237 HydrophobicContact CG1-CB 3.6Å; V220-A292 HydrophobicContact CG1-CB 4.29Å; V220-A292 HydrophobicContact CG2-CB 3.87Å; V220-I294 HydrophobicContact CG1-CD1 4.41Å; V220-I294 HydrophobicContact CG1-CG1 4.5Å
221	S	91.4	Very high	90.7	Very high	6 Å²	6	22.4 Å²	22.4	4%	0.042	13%	0.132	C	C	.	.	H	α-helix	trans	-61.4	-38.3	177.1	42.8	0	0	0	0	112.7	E164 C218 M219 A223 L224 L225	E164-S221 WeakPolarHBondContact OE1-CB 3.25Å; E164-S221 PolarHBondContact OE1-OG 2.94Å; E164-S221 WeakPolarHBondContact OE2-CB 3.36Å; C218-S221 VanDerWaalsContact CA-OG 3.25Å; C218-S221 WeakPolarHBondContact CA-OG 3.18Å; C218-S221 PolarHBondContact O-OG 3.39Å; M219-S221 VanDerWaalsContact C-N 3.27Å; M219-S221 PolarHBondContact O-N 2.81Å; S221-A223 VanDerWaalsContact C-N 3.31Å; S221-A223 PolarHBondContact O-N 3.49Å; S221-L224 WeakPolarHBondContact O-CB 3.18Å; S221-L224 PolarHBondContact O-N 3.04Å; S221-L224 VanDerWaalsContact O-N 3.08Å; S221-L225 PolarHBondContact O-N 3.02Å
222	T	95.4	Very high	90.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.5	-37.9	175.4	-68.5	0	0	0	0	112.8	A188 Y190 C218 M219 V220 L224 L225 T261	A188-T222 WeakPolarHBondContact O-CG2 3.27Å; Y190-T222 WeakPolarHBondContact CB-OG1 3.3Å; C218-T222 PolarHBondContact O-N 3.24Å; C218-T222 PolarHBondContact O-OG1 3.31Å; M219-T222 WeakPolarHBondContact O-CB 3.35Å; M219-T222 PolarHBondContact O-N 3.46Å; M219-T222 VanDerWaalsContact O-N 3.15Å; V220-T222 VanDerWaalsContact C-N 3.32Å; V220-T222 PolarHBondContact O-N 2.93Å; T222-L224 PolarHBondContact O-N 3.31Å; T222-L225 HydrophobicContact CG2-CD1 4.49Å; T222-L225 PolarHBondContact O-N 3.24Å; T222-T261 PolarHBondContact OG1-OG1 3Å
223	A	95.4	Very high	89.5	Confident	2 Å²	2	27.4 Å²	27.4	2%	0.017	16%	0.161	C	C	.	.	H	α-helix	trans	-67.9	-22.3	176.1	0	0	0	0	0	113.6	M219 V220 S221 A271 I273 I294	M219-A223 PolarHBondContact O-N 3.37Å; V220-A223 PolarHBondContact O-N 2.97Å; S221-A223 VanDerWaalsContact C-N 3.31Å; S221-A223 PolarHBondContact O-N 3.49Å; A223-A271 HydrophobicContact CB-CB 3.52Å; A223-I273 HydrophobicContact CB-CD1 3.94Å; A223-I273 HydrophobicContact CB-CG1 3.9Å; A223-I294 HydrophobicContact CB-CD1 3.85Å
224	L	92.5	Very high	89.1	Confident	7 Å²	7	29.7 Å²	29.7	4%	0.037	17%	0.173	C	C	.	.	H	α-helix	trans	-83	-19.9	179.2	-65.1	171.8	0	0	0	113.1	M163 V220 S221 T222 P226 H227 V228 F232 L234 I294	M163-L224 HydrophobicContact SD-CD1 4.5Å; V220-L224 PolarHBondContact O-N 2.82Å; S221-L224 WeakPolarHBondContact O-CB 3.18Å; S221-L224 PolarHBondContact O-N 3.04Å; S221-L224 VanDerWaalsContact O-N 3.08Å; T222-L224 PolarHBondContact O-N 3.31Å; L224-P226 VanDerWaalsContact C-CD 3.49Å; L224-H227 PolarHBondContact O-N 3.31Å; L224-V228 PolarHBondContact O-N 3.05Å; L224-F232 HydrophobicContact CD2-CE1 4.19Å; L224-L234 HydrophobicContact CD1-CD2 3.88Å; L224-L234 HydrophobicContact CD2-CD1 3.93Å; L224-I294 HydrophobicContact CD2-CD1 4.17Å; L224-I294 HydrophobicContact CD2-CG2 3.77Å
225	L	93.6	Very high	88.8	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.026	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-51	-43.2	-174	-68	174.2	0	0	0	114.8	K179 R182 A185 T186 S221 T222 H227 V228	K179-L225 WeakPolarHBondContact O-CD2 3.38Å; R182-L225 HydrophobicContact CG-CD2 4.14Å; A185-L225 WeakPolarHBondContact CA-O 3.33Å; T186-L225 PolarHBondContact N-O 3.31Å; S221-L225 PolarHBondContact O-N 3.02Å; T222-L225 HydrophobicContact CG2-CD1 4.49Å; T222-L225 PolarHBondContact O-N 3.24Å; L225-H227 PolarHBondContact O-N 3.47Å; L225-V228 WeakPolarHBondContact O-CB 3.33Å; L225-V228 PolarHBondContact O-N 3.42Å
226	P	93.5	Very high	88.4	Confident	31 Å²	31	36.6 Å²	36.6	20%	0.201	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-72	-11.6	179.8	-18.6	33.2	0	0	0	115.1	T186 A188 L224 K230	T186-P226 WeakPolarHBondContact O-CA 3.43Å; A188-P226 HydrophobicContact CB-CG 3.54Å; L224-P226 VanDerWaalsContact C-CD 3.49Å; P226-K230 WeakPolarHBondContact O-CD 3.35Å; P226-K230 VanDerWaalsContact O-CE 3.23Å; P226-K230 WeakPolarHBondContact O-CE 3.3Å; P226-K230 PolarHBondContact O-NZ 3.49Å
227	H	89.2	Confident	88.2	Confident	57 Å²	57	37.3 Å²	37.3	26%	0.264	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-105.9	-11.1	-175.6	-54.8	-71.3	0	0	0	112.5	L224 L225 G229 K230 F232	L224-H227 PolarHBondContact O-N 3.31Å; L225-H227 PolarHBondContact O-N 3.47Å; H227-G229 PolarHBondContact O-N 2.88Å; H227-K230 PolarHBondContact O-N 2.86Å; H227-F232 HydrophobicContact CB-CB 4.24Å; H227-F232 HydrophobicContact CB-CD1 4.15Å; H227-F232 HydrophobicContact CB-CG 4.18Å; H227-F232 WeakPolarHBondContact O-CB 3.31Å
228	V	77.3	Confident	88.2	Confident	21 Å²	21	39.4 Å²	39.4	13%	0.127	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	131.2	173.4	169.6	0	0	0	0	110.9	R182 A185 L224 L225 K230	R182-V228 HydrophobicContact CB-CB 4.36Å; R182-V228 HydrophobicContact CB-CG1 3.66Å; R182-V228 HydrophobicContact CB-CG2 3.73Å; R182-V228 HydrophobicContact CG-CG2 3.91Å; R182-V228 WeakPolarHBondContact O-CG1 3.41Å; A185-V228 WeakPolarHBondContact CB-O 3.49Å; L224-V228 PolarHBondContact O-N 3.05Å; L225-V228 WeakPolarHBondContact O-CB 3.33Å; L225-V228 PolarHBondContact O-N 3.42Å; V228-K230 PolarHBondContact O-N 3.31Å; V228-K230 VanDerWaalsContact O-N 3.1Å
229	G	70.8	Confident	88.5	Confident	65 Å²	65	40.1 Å²	40.1	67%	0.67	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.5	-0.5	173.5	0	0	0	0	0	115.4	H227 N231	H227-G229 PolarHBondContact O-N 2.88Å; G229-N231 PolarHBondContact O-N 3.27Å
230	K	73.2	Confident	88.6	Confident	118 Å²	118	42.6 Å²	42.6	51%	0.513	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	33.1	174.8	-65	-173.6	175.8	163.5	0	112.5	P226 H227 V228 F232 F298	P226-K230 WeakPolarHBondContact O-CD 3.35Å; P226-K230 VanDerWaalsContact O-CE 3.23Å; P226-K230 WeakPolarHBondContact O-CE 3.3Å; P226-K230 PolarHBondContact O-NZ 3.49Å; H227-K230 PolarHBondContact O-N 2.86Å; V228-K230 PolarHBondContact O-N 3.31Å; V228-K230 VanDerWaalsContact O-N 3.1Å; K230-F232 PolarHBondContact O-N 3.42Å; K230-F298 HydrophobicContact CB-CE1 4.28Å; K230-F298 WeakPolarHBondContact O-CD1 3.34Å
231	N	79.2	Confident	88.8	Confident	114 Å²	114	43.2 Å²	43.2	61%	0.61	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	22	-166.6	-54.4	-15.5	0	0	0	114.7	G229 S233 V299	G229-N231 PolarHBondContact O-N 3.27Å; N231-S233 PolarHBondContact O-N 3.04Å; N231-V299 WeakPolarHBondContact CB-O 2.88Å; N231-V299 PolarHBondContact ND2-O 2.93Å; N231-V299 PolarHBondContact O-N 3.19Å
232	F	85	Confident	89.1	Confident	49 Å²	49	42.9 Å²	42.9	22%	0.215	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	118.4	175.3	-176.9	-103.6	0	0	0	109.6	L224 H227 K230 L234 I294 F298	L224-F232 HydrophobicContact CD2-CE1 4.19Å; H227-F232 HydrophobicContact CB-CB 4.24Å; H227-F232 HydrophobicContact CB-CD1 4.15Å; H227-F232 HydrophobicContact CB-CG 4.18Å; H227-F232 WeakPolarHBondContact O-CB 3.31Å; K230-F232 PolarHBondContact O-N 3.42Å; F232-L234 HydrophobicContact CE1-CB 4.21Å; F232-L234 HydrophobicContact CE1-CD1 3.96Å; F232-L234 HydrophobicContact CZ-CD1 4.43Å; F232-I294 HydrophobicContact CZ-CG2 4.43Å; F232-F298 HydrophobicContact CB-CD1 4.01Å; F232-F298 HydrophobicContact CB-CE1 3.82Å; F232-F298 HydrophobicContact CD2-CD1 4.13Å; F232-F298 HydrophobicContact CD2-CD2 4.23Å; F232-F298 AromaticContact CD2-CE1 3.86Å; F232-F298 HydrophobicContact CD2-CE1 3.86Å; F232-F298 AromaticContact CD2-CE2 3.96Å; F232-F298 HydrophobicContact CD2-CE2 3.96Å; F232-F298 HydrophobicContact CD2-CG 4.31Å; F232-F298 AromaticContact CD2-CZ 3.77Å; F232-F298 HydrophobicContact CD2-CZ 3.77Å; F232-F298 HydrophobicContact CE2-CE2 4.41Å; F232-F298 HydrophobicContact CE2-CZ 4.49Å; F232-F298 HydrophobicContact CG-CE1 4.25Å; F232-F298 HydrophobicContact CG-CZ 4.48Å
233	S	86.7	Confident	89.3	Confident	56 Å²	56	44 Å²	44	39%	0.392	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113	173.2	-178.4	0	0	0	0	109.2	N231 A235 G296 K297	N231-S233 PolarHBondContact O-N 3.04Å; S233-A235 PolarHBondContact O-N 3.21Å; S233-G296 CarbonylContact O-C 3.45Å; S233-G296 WeakPolarHBondContact O-CA 3.21Å; S233-K297 PolarHBondContact N-O 3.41Å; S233-K297 PolarHBondContact O-N 3.03Å
234	L	88	Confident	89.4	Confident	47 Å²	47	43.9 Å²	43.9	25%	0.246	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	124.2	177.8	-175.8	68.8	0	0	0	110	M163 L224 F232 A237 I294	M163-L234 HydrophobicContact CG-CD2 3.87Å; M163-L234 HydrophobicContact SD-CD2 4.06Å; L224-L234 HydrophobicContact CD1-CD2 3.88Å; L224-L234 HydrophobicContact CD2-CD1 3.93Å; F232-L234 HydrophobicContact CE1-CB 4.21Å; F232-L234 HydrophobicContact CE1-CD1 3.96Å; F232-L234 HydrophobicContact CZ-CD1 4.43Å; L234-A237 HydrophobicContact CD1-CB 4.21Å; L234-A237 HydrophobicContact CD2-CB 4.15Å; L234-I294 HydrophobicContact CD1-CG2 3.76Å
235	A	88.9	Confident	89.7	Confident	84 Å²	84	48.3 Å²	48.3	69%	0.694	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	-41	175.3	0	0	0	0	0	111.9	S233 R295	S233-A235 PolarHBondContact O-N 3.21Å; A235-R295 WeakPolarHBondContact CA-O 3.43Å; A235-R295 WeakPolarHBondContact CB-O 3.5Å; A235-R295 PolarHBondContact N-O 2.84Å
236	M	89.2	Confident	90	Very high	62 Å²	62	48.6 Å²	48.6	31%	0.305	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	148.2	173.5	55.5	170.9	-78.4	0	0	111.1	V238 L293 R295	M236-V238 HydrophobicContact CE-CG2 3.92Å; M236-L293 HydrophobicContact CE-CD2 3.37Å; M236-L293 HydrophobicContact CE-CG 3.76Å; M236-R295 HydrophobicContact CG-CB 3.7Å; M236-R295 HydrophobicContact CG-CG 4.17Å; M236-R295 PolarHBondContact N-O 3.04Å; M236-R295 PolarHBondContact O-N 2.92Å; M236-R295 HydrophobicContact SD-CB 4.43Å; M236-R295 HydrophobicContact SD-CG 4.34Å
237	A	91.6	Very high	90.2	Very high	32 Å²	32	52 Å²	52	26%	0.264	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	128.4	166.5	0	0	0	0	0	109.2	V220 L234 L293 I294	V220-A237 HydrophobicContact CG1-CB 3.6Å; L234-A237 HydrophobicContact CD1-CB 4.21Å; L234-A237 HydrophobicContact CD2-CB 4.15Å; A237-L293 CarbonylContact C-O 3.59Å; A237-L293 VanDerWaalsContact CA-O 3.28Å; A237-L293 WeakPolarHBondContact CA-O 3.42Å; A237-I294 HydrophobicContact CB-CG1 4.25Å
238	V	92.4	Very high	90.5	Very high	46 Å²	46	51.3 Å²	51.3	28%	0.279	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	143.6	177.7	-64	0	0	0	0	110.2	M236 A292 L293	M236-V238 HydrophobicContact CE-CG2 3.92Å; V238-A292 CarbonylContact O-C 3.51Å; V238-A292 WeakPolarHBondContact O-CA 3.45Å; V238-L293 HydrophobicContact CG2-CB 3.95Å; V238-L293 HydrophobicContact CG2-CD2 4.25Å; V238-L293 HydrophobicContact CG2-CG 4.48Å; V238-L293 PolarHBondContact N-O 3.5Å; V238-L293 PolarHBondContact O-N 2.88Å
239	S	95.3	Very high	91.3	Very high	20 Å²	20	50.9 Å²	50.9	14%	0.14	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	135.9	167.9	-44.9	0	0	0	0	109.5	F69 D216 Q290	F69-S239 VanDerWaalsContact CE2-CB 3.45Å; D216-S239 PolarHBondContact OD1-OG 3.05Å; S239-Q290 PolarHBondContact OG-NE2 3.41Å
240	L	97.3	Very high	92.5	Very high	52 Å²	52	53.6 Å²	53.6	27%	0.272	29%	0.285	S	S	.	.			trans	-95.6	-43	173.1	-66.5	177	0	0	0	110.7	F69 R270 E291 L293	F69-L240 PolarHBondContact N-O 2.95Å; L240-R270 HydrophobicContact CD1-CG 4.37Å; L240-E291 WeakPolarHBondContact CB-O 3.37Å; L240-E291 HydrophobicContact CD1-CG 4.25Å; L240-E291 PolarHBondContact N-O 2.92Å; L240-L293 HydrophobicContact CD1-CB 4.1Å; L240-L293 HydrophobicContact CD2-CB 3.9Å; L240-L293 HydrophobicContact CD2-CD2 4.49Å; L240-L293 HydrophobicContact CG-CB 3.97Å
241	D	98.4	Very high	93.6	Very high	33 Å²	33	48.6 Å²	48.6	18%	0.176	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	172.1	177.1	61.6	47	0	0	0	110.8	C67 Y68 Q290 E291	C67-D241 CarbonylContact O-C 3.52Å; C67-D241 WeakPolarHBondContact O-CA 3.29Å; C67-D241 VanDerWaalsContact O-CB 3.26Å; C67-D241 WeakPolarHBondContact O-CB 3.37Å; Y68-D241 HydrophobicContact CD1-CB 3.76Å; Y68-D241 HydrophobicContact CE1-CB 3.92Å; D241-Q290 WeakPolarHBondContact O-CG 3.4Å; D241-E291 PolarHBondContact OD1-N 3.22Å
242	H	98.5	Very high	94.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	135.1	165.4	-169.7	38.5	0	0	0	109	C67 F69 S215 M219 Q290	C67-H242 PolarHBondContact N-O 3.24Å; C67-H242 PolarHBondContact O-N 3.41Å; C67-H242 PolarHBondContact SG-O 2.88Å; F69-H242 HydrophobicContact CE2-CB 3.96Å; F69-H242 HydrophobicContact CZ-CB 4.37Å; S215-H242 PolarHBondContact OG-NE2 3.32Å; M219-H242 VanDerWaalsContact SD-CE1 3.52Å; H242-Q290 PolarHBondContact ND1-OE1 3.46Å
243	S	98.7	Very high	95.1	Very high	22 Å²	22	43.9 Å²	43.9	15%	0.154	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	143	178.6	-71.9	0	0	0	0	110.3	L65 H66 T288 A289	L65-S243 CarbonylContact O-C 3.53Å; L65-S243 WeakPolarHBondContact O-CA 3.35Å; H66-S243 WeakPolarHBondContact ND1-CB 3.31Å; H66-S243 PolarHBondContact ND1-OG 3.23Å; S243-T288 CarbonylContact O-C 3.45Å; S243-T288 WeakPolarHBondContact O-CA 3.31Å; S243-T288 WeakPolarHBondContact O-CB 3.19Å; S243-A289 PolarHBondContact N-O 3.49Å; S243-A289 PolarHBondContact O-N 2.84Å
244	M	98.5	Very high	95.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.9	-177.3	58.9	-176.3	66.7	0	0	113.1	V45 S64 L65 A212 F246 L286 S287 T288	V45-M244 HydrophobicContact CG1-CE 3.65Å; S64-M244 CarbonylContact C-O 3.59Å; S64-M244 WeakPolarHBondContact CA-O 3.48Å; S64-M244 WeakPolarHBondContact CB-O 3.37Å; L65-M244 HydrophobicContact CB-CG 3.55Å; L65-M244 HydrophobicContact CB-SD 3.88Å; L65-M244 HydrophobicContact CD1-SD 4.21Å; L65-M244 HydrophobicContact CD2-CE 3.94Å; L65-M244 HydrophobicContact CD2-CG 4.07Å; L65-M244 HydrophobicContact CD2-SD 4.15Å; L65-M244 HydrophobicContact CG-CG 4.31Å; L65-M244 HydrophobicContact CG-SD 4.31Å; L65-M244 PolarHBondContact N-O 3.44Å; L65-M244 PolarHBondContact O-N 3.04Å; A212-M244 HydrophobicContact CB-CE 3.74Å; A212-M244 HydrophobicContact CB-SD 3.72Å; M244-F246 HydrophobicContact CG-CE2 4.32Å; M244-F246 HydrophobicContact SD-CE2 3.68Å; M244-F246 HydrophobicContact SD-CZ 3.92Å; M244-L286 HydrophobicContact CB-CD1 3.68Å; M244-S287 VanDerWaalsContact CA-O 3.31Å; M244-S287 WeakPolarHBondContact CA-O 3.46Å; M244-T288 HydrophobicContact CB-CG2 4.12Å
245	W	98.8	Very high	96	Very high	100 Å²	100	45.6 Å²	45.6	38%	0.379	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	117.4	173.1	-59.6	-94.8	0	0	0	108.8	H63 H66 H247 L286 S287 A289	H63-W245 CarbonylContact O-C 3.55Å; H63-W245 WeakPolarHBondContact O-CA 3.44Å; H66-W245 AromaticContact CE1-CE2 3.78Å; H66-W245 AromaticContact CE1-CZ2 3.5Å; H66-W245 AromaticContact CE1-NE1 3.92Å; W245-H247 PolarHBondContact O-NE2 3.15Å; W245-L286 WeakPolarHBondContact O-CA 2.97Å; W245-S287 PolarHBondContact N-O 3.49Å; W245-S287 PolarHBondContact O-N 2.64Å; W245-A289 HydrophobicContact CZ3-CB 4.2Å
246	F	98.6	Very high	96.5	Very high	11 Å²	11	43.2 Å²	43.2	5%	0.048	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	124.4	172.6	-65	-79.6	0	0	0	109	M49 P62 H63 L208 A211 A212 M244 F251 V285 L286	M49-F246 HydrophobicContact CE-CE2 3.79Å; M49-F246 HydrophobicContact CE-CZ 3.82Å; M49-F246 HydrophobicContact SD-CE2 3.99Å; P62-F246 HydrophobicContact CB-CD2 4.33Å; P62-F246 HydrophobicContact CB-CE2 4.38Å; H63-F246 PolarHBondContact O-N 2.75Å; L208-F246 HydrophobicContact CB-CE1 4.31Å; L208-F246 HydrophobicContact CB-CZ 4.21Å; L208-F246 HydrophobicContact CD2-CB 4.11Å; L208-F246 HydrophobicContact CD2-CD1 3.25Å; L208-F246 HydrophobicContact CD2-CD2 4.19Å; L208-F246 HydrophobicContact CD2-CE1 3.55Å; L208-F246 HydrophobicContact CD2-CE2 4.44Å; L208-F246 HydrophobicContact CD2-CG 3.6Å; L208-F246 HydrophobicContact CD2-CZ 4.15Å; L208-F246 WeakPolarHBondContact O-CZ 3.41Å; A211-F246 HydrophobicContact CB-CE1 3.91Å; A211-F246 HydrophobicContact CB-CZ 4.46Å; A212-F246 HydrophobicContact CB-CZ 4.37Å; M244-F246 HydrophobicContact CG-CE2 4.32Å; M244-F246 HydrophobicContact SD-CE2 3.68Å; M244-F246 HydrophobicContact SD-CZ 3.92Å; F246-F251 HydrophobicContact CD1-CE1 4.26Å; F246-F251 HydrophobicContact CD1-CZ 4.29Å; F246-F251 HydrophobicContact CE1-CZ 4.21Å; F246-V285 WeakPolarHBondContact CA-O 3.47Å; F246-L286 HydrophobicContact CD1-CB 4.04Å; F246-L286 HydrophobicContact CD1-CD1 3.87Å; F246-L286 HydrophobicContact CD1-CG 4.41Å; F246-L286 HydrophobicContact CE1-CB 4.25Å; F246-L286 HydrophobicContact CE1-CD1 3.79Å; F246-L286 HydrophobicContact CE1-CD2 4.04Å; F246-L286 HydrophobicContact CE1-CG 4.25Å; F246-L286 HydrophobicContact CG-CD1 4.31Å; F246-L286 HydrophobicContact CZ-CD1 4.15Å
247	H	97.7	Very high	96.9	Very high	103 Å²	103	40.4 Å²	40.4	48%	0.477	20%	0.196	S	C	.	.	S	Bend	trans	-98.4	-19.1	-179.6	-47.4	-65.2	0	0	0	112.1	W245 L284 V285 S287	W245-H247 PolarHBondContact O-NE2 3.15Å; H247-L284 WeakPolarHBondContact CB-O 3.26Å; H247-V285 PolarHBondContact N-O 2.92Å; H247-S287 WeakPolarHBondContact NE2-CB 3.36Å; H247-S287 PolarHBondContact NE2-N 2.83Å; H247-S287 PolarHBondContact NE2-OG 3.49Å
248	D	95.7	Very high	97.3	Very high	43 Å²	43	38.9 Å²	38.9	23%	0.23	18%	0.183	C	C	.	.			trans	-145.1	139	178.6	-166.9	-54.3	0	0	0	108.2	K250 F251 V285	D248-K250 WeakPolarHBondContact OD1-CA 3.46Å; D248-K250 WeakPolarHBondContact OD1-CB 3.45Å; D248-K250 PolarHBondContact OD1-N 2.89Å; D248-F251 VanDerWaalsContact O-CD1 3.32Å; D248-F251 WeakPolarHBondContact O-CD1 3.43Å; D248-F251 VanDerWaalsContact O-CE1 3.23Å; D248-F251 WeakPolarHBondContact O-CE1 3.06Å; D248-V285 HydrophobicContact CB-CB 4.47Å; D248-V285 HydrophobicContact CB-CG1 4.27Å
249	N	95.3	Very high	97.6	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.059	17%	0.17	C	C	.	.	S	Bend	trans	-107.7	-1.1	177.5	68.1	-2.8	0	0	0	113.3	H61 D116 S204 L208	H61-N249 HydrophobicContact CB-CB 4.48Å; H61-N249 PolarHBondContact CD2-ND2 2.89Å; H61-N249 VanDerWaalsContact CG-ND2 3.29Å; H61-N249 PolarHBondContact NE2-ND2 3.14Å; D116-N249 PolarHBondContact OD1-ND2 2.97Å; S204-N249 VanDerWaalsContact CB-O 3.3Å; S204-N249 WeakPolarHBondContact CB-O 3.39Å; L208-N249 HydrophobicContact CD1-CB 4.1Å; L208-N249 HydrophobicContact CD2-CB 4.49Å
250	K	94.8	Very high	97.7	Very high	122 Å²	122	37.1 Å²	37.1	53%	0.53	17%	0.17	S	C	.	.			trans	-103.1	59.1	-178.9	-49.7	-51.4	-179.1	-152.2	0	109.8	D116 D248	D116-K250 IonicContact OD1-NZ 2.89Å; D116-K250 IonicContact OD2-NZ 3.67Å; D116-K250 PolarHBondContact OD2-NZ 2.93Å; D248-K250 WeakPolarHBondContact OD1-CA 3.46Å; D248-K250 WeakPolarHBondContact OD1-CB 3.45Å; D248-K250 PolarHBondContact OD1-N 2.89Å
251	F	97.6	Very high	97.8	Very high	13 Å²	13	34.7 Å²	34.7	6%	0.057	16%	0.158	C	C	.	.			trans	-134.7	163.6	171.4	71.8	-89.3	0	0	0	110.7	H207 L208 A211 F246 D248 M253 M257 V285	H207-F251 WeakPolarHBondContact CB-O 3.49Å; L208-F251 HydrophobicContact CD2-CE1 3.52Å; L208-F251 HydrophobicContact CD2-CZ 3.82Å; A211-F251 HydrophobicContact CB-CE2 3.9Å; A211-F251 HydrophobicContact CB-CZ 3.8Å; F246-F251 HydrophobicContact CD1-CE1 4.26Å; F246-F251 HydrophobicContact CD1-CZ 4.29Å; F246-F251 HydrophobicContact CE1-CZ 4.21Å; D248-F251 VanDerWaalsContact O-CD1 3.32Å; D248-F251 WeakPolarHBondContact O-CD1 3.43Å; D248-F251 VanDerWaalsContact O-CE1 3.23Å; D248-F251 WeakPolarHBondContact O-CE1 3.06Å; F251-M253 HydrophobicContact CD2-CG 4.43Å; F251-M253 HydrophobicContact CD2-SD 4.29Å; F251-M253 HydrophobicContact CE2-CG 3.82Å; F251-M253 HydrophobicContact CE2-SD 3.73Å; F251-M257 HydrophobicContact CB-CE 4.17Å; F251-M257 HydrophobicContact CD2-CE 3.66Å; F251-M257 HydrophobicContact CD2-SD 4.36Å; F251-M257 HydrophobicContact CE2-CE 4.35Å; F251-M257 HydrophobicContact CG-CE 4.09Å; F251-V285 HydrophobicContact CB-CG1 3.89Å; F251-V285 HydrophobicContact CD1-CB 3.64Å; F251-V285 HydrophobicContact CD1-CG1 3.9Å; F251-V285 HydrophobicContact CD1-CG2 4.07Å; F251-V285 HydrophobicContact CD2-CG2 4.24Å; F251-V285 HydrophobicContact CE1-CB 3.93Å; F251-V285 HydrophobicContact CE1-CG2 4.14Å; F251-V285 HydrophobicContact CE2-CG2 4.31Å; F251-V285 HydrophobicContact CG-CB 4.02Å; F251-V285 HydrophobicContact CG-CG1 3.96Å; F251-V285 HydrophobicContact CG-CG2 4.12Å; F251-V285 HydrophobicContact CZ-CG2 4.27Å
252	R	97.7	Very high	97.7	Very high	65 Å²	65	35.5 Å²	35.5	25%	0.245	16%	0.163	C	C	.	.			trans	-123.4	116.2	-173.3	-71.3	-163.8	70.1	95.7	6.6	111	G201 D202 D254 E255	G201-R252 PolarHBondContact O-NH1 2.81Å; G201-R252 PolarHBondContact O-NH2 2.83Å; D202-R252 IonicContact OD1-CZ 3.27Å; D202-R252 IonicContact OD1-NH1 3.58Å; D202-R252 PolarHBondContact OD1-NH1 3.27Å; R252-D254 WeakPolarHBondContact CB-OD1 3.41Å; R252-D254 IonicContact CZ-OD1 3.6Å; R252-D254 IonicContact CZ-OD2 2.77Å; R252-D254 IonicContact NE-OD1 3.38Å; R252-D254 PolarHBondContact NE-OD1 2.97Å; R252-D254 IonicContact NE-OD2 3.87Å; R252-D254 IonicContact NH2-OD1 2.78Å; R252-D254 PolarHBondContact NH2-OD1 3.46Å; R252-D254 IonicContact NH2-OD2 2.91Å; R252-D254 PolarHBondContact NH2-OD2 3.08Å; R252-D254 PolarHBondContact O-N 3.09Å; R252-E255 HydrophobicContact CB-CB 4.12Å; R252-E255 HydrophobicContact CB-CG 3.72Å; R252-E255 WeakPolarHBondContact O-CB 3.5Å; R252-E255 PolarHBondContact O-N 2.73Å
253	M	97.4	Very high	97.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-11.8	176.3	-77.4	-53.8	-51.5	0	0	114.3	F170 V194 A196 I200 H207 T210 A211 I214 F251 E255 M257 M277	F170-M253 HydrophobicContact CE1-CE 3.95Å; V194-M253 HydrophobicContact CG2-CE 4.19Å; A196-M253 WeakPolarHBondContact CB-O 3.47Å; A196-M253 PolarHBondContact N-O 3.23Å; I200-M253 HydrophobicContact CD1-CB 3.56Å; H207-M253 HydrophobicContact CB-CG 4.46Å; H207-M253 PolarHBondContact ND1-N 3.16Å; H207-M253 VanDerWaalsContact O-CG 3.27Å; H207-M253 WeakPolarHBondContact O-CG 3.49Å; T210-M253 HydrophobicContact CG2-CB 3.77Å; T210-M253 HydrophobicContact CG2-CG 4.08Å; A211-M253 HydrophobicContact CB-CG 3.93Å; A211-M253 HydrophobicContact CB-SD 3.77Å; I214-M253 HydrophobicContact CG2-CE 3.78Å; F251-M253 HydrophobicContact CD2-CG 4.43Å; F251-M253 HydrophobicContact CD2-SD 4.29Å; F251-M253 HydrophobicContact CE2-CG 3.82Å; F251-M253 HydrophobicContact CE2-SD 3.73Å; M253-E255 VanDerWaalsContact C-N 3.28Å; M253-M257 HydrophobicContact CE-CG 4.33Å; M253-M257 HydrophobicContact SD-CG 3.93Å; M253-M277 HydrophobicContact CE-CE 4.44Å; M253-M277 HydrophobicContact CE-SD 4.2Å; M253-M277 HydrophobicContact SD-SD 3.65Å; M253-M277 VanDerWaalsContact SD-SD 3.65Å
254	D	96.8	Very high	97.6	Very high	29 Å²	29	43.6 Å²	43.6	16%	0.155	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	7.2	167.8	55.4	6.7	0	0	0	112.5	K195 A196 P199 I200 H207 R252	K195-D254 WeakPolarHBondContact CD-O 3.33Å; K195-D254 WeakPolarHBondContact CG-O 3.35Å; A196-D254 HydrophobicContact CB-CB 4.36Å; P199-D254 WeakPolarHBondContact CA-OD2 3.21Å; I200-D254 HydrophobicContact CD1-CB 4.26Å; I200-D254 HydrophobicContact CG1-CB 4.4Å; I200-D254 PolarHBondContact N-OD2 3.21Å; H207-D254 IonicContact CE1-OD1 3.16Å; H207-D254 PolarHBondContact CE1-OD1 2.82Å; H207-D254 IonicContact CE1-OD2 3.26Å; R252-D254 WeakPolarHBondContact CB-OD1 3.41Å; R252-D254 IonicContact CZ-OD1 3.6Å; R252-D254 IonicContact CZ-OD2 2.77Å; R252-D254 IonicContact NE-OD1 3.38Å; R252-D254 PolarHBondContact NE-OD1 2.97Å; R252-D254 IonicContact NE-OD2 3.87Å; R252-D254 IonicContact NH2-OD1 2.78Å; R252-D254 PolarHBondContact NH2-OD1 3.46Å; R252-D254 IonicContact NH2-OD2 2.91Å; R252-D254 PolarHBondContact NH2-OD2 3.08Å; R252-D254 PolarHBondContact O-N 3.09Å
255	E	97.9	Very high	97.5	Very high	109 Å²	109	47.4 Å²	47.4	51%	0.509	22%	0.216	S	C	.	.	S	Bend	trans	-106.3	167.1	163.2	-63.5	-179.3	175.3	0	0	111.1	K195 R252 M253 M257	K195-E255 WeakPolarHBondContact CG-O 3.36Å; R252-E255 HydrophobicContact CB-CB 4.12Å; R252-E255 HydrophobicContact CB-CG 3.72Å; R252-E255 WeakPolarHBondContact O-CB 3.5Å; R252-E255 PolarHBondContact O-N 2.73Å; M253-E255 VanDerWaalsContact C-N 3.28Å; E255-M257 PolarHBondContact O-N 3.37Å
256	W	98.4	Very high	97.4	Very high	35 Å²	35	45.1 Å²	45.1	13%	0.133	22%	0.218	C	C	.	.			trans	-71.1	120.1	-179.7	-78.1	124.7	0	0	0	112.1	P133 D171 R173 W193 K195 G280	P133-W256 HydrophobicContact CB-CD2 3.69Å; P133-W256 HydrophobicContact CB-CE3 4.07Å; P133-W256 HydrophobicContact CB-CG 4.06Å; P133-W256 HydrophobicContact CB-CH2 4.35Å; P133-W256 HydrophobicContact CB-CZ2 4Å; P133-W256 HydrophobicContact CB-CZ3 4.39Å; P133-W256 HydrophobicContact CG-CB 4.03Å; P133-W256 VanDerWaalsContact CG-CD1 3.47Å; P133-W256 HydrophobicContact CG-CD2 3.73Å; P133-W256 HydrophobicContact CG-CE3 4.45Å; P133-W256 HydrophobicContact CG-CG 3.51Å; D171-W256 HydrophobicContact CB-CH2 3.78Å; D171-W256 HydrophobicContact CB-CZ3 4.43Å; D171-W256 VanDerWaalsContact CG-CH2 3.4Å; D171-W256 WeakPolarHBondContact O-CZ3 3.34Å; D171-W256 WeakPolarHBondContact OD2-CH2 3.32Å; R173-W256 HydrophobicContact CG-CH2 3.76Å; R173-W256 HydrophobicContact CG-CZ3 4.24Å; R173-W256 VanDerWaalsContact NE-CH2 3.31Å; W193-W256 HydrophobicContact CB-CE3 3.73Å; W193-W256 HydrophobicContact CB-CZ3 3.85Å; W193-W256 HydrophobicContact CE3-CB 3.94Å; W193-W256 HydrophobicContact CZ3-CB 4.23Å; K195-W256 HydrophobicContact CB-CD2 3.81Å; K195-W256 HydrophobicContact CB-CE3 3.44Å; K195-W256 VanDerWaalsContact CB-CE3 3.44Å; K195-W256 HydrophobicContact CB-CH2 4.18Å; K195-W256 HydrophobicContact CB-CZ3 3.64Å; K195-W256 HydrophobicContact CD-CD2 3.97Å; K195-W256 HydrophobicContact CD-CE3 4.48Å; K195-W256 HydrophobicContact CD-CG 4.14Å; K195-W256 HydrophobicContact CG-CD2 4.47Å; W256-G280 PolarHBondContact O-N 2.88Å
257	M	98.5	Very high	97.3	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.7	175.4	-52.4	-61.8	-70.7	0	0	109.9	W193 V194 F251 M253 E255 M277 W278 S279 V285	W193-M257 CarbonylContact C-O 3.51Å; W193-M257 WeakPolarHBondContact CA-O 3.15Å; W193-M257 VanDerWaalsContact CE3-C 3.46Å; V194-M257 HydrophobicContact CG2-CB 4.05Å; V194-M257 PolarHBondContact N-O 2.84Å; V194-M257 PolarHBondContact O-N 3.35Å; F251-M257 HydrophobicContact CB-CE 4.17Å; F251-M257 HydrophobicContact CD2-CE 3.66Å; F251-M257 HydrophobicContact CD2-SD 4.36Å; F251-M257 HydrophobicContact CE2-CE 4.35Å; F251-M257 HydrophobicContact CG-CE 4.09Å; M253-M257 HydrophobicContact CE-CG 4.33Å; M253-M257 HydrophobicContact SD-CG 3.93Å; E255-M257 PolarHBondContact O-N 3.37Å; M257-M277 HydrophobicContact CB-CG 3.94Å; M257-M277 HydrophobicContact CB-SD 4.13Å; M257-M277 HydrophobicContact CE-CG 4.17Å; M257-M277 HydrophobicContact CE-SD 4.39Å; M257-M277 HydrophobicContact CG-SD 4.43Å; M257-W278 CarbonylContact C-O 3.6Å; M257-W278 VanDerWaalsContact CA-O 3.25Å; M257-W278 WeakPolarHBondContact CA-O 3.22Å; M257-S279 VanDerWaalsContact CE-CA 3.5Å; M257-V285 HydrophobicContact CE-CB 4.36Å; M257-V285 HydrophobicContact CE-CG1 4.08Å; M257-V285 HydrophobicContact CE-CG2 3.38Å
258	L	98.7	Very high	97.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	119.2	173	176.6	68.8	0	0	0	108.8	M127 V130 V175 M191 W193 M277 W278	M127-L258 HydrophobicContact CG-CD2 4.02Å; M127-L258 HydrophobicContact SD-CD2 4.21Å; V130-L258 HydrophobicContact CG2-CD1 3.97Å; V130-L258 HydrophobicContact CG2-CD2 3.84Å; V175-L258 HydrophobicContact CG2-CD1 4.02Å; M191-L258 HydrophobicContact CB-CD1 4.25Å; W193-L258 HydrophobicContact CD2-CB 4.22Å; W193-L258 HydrophobicContact CD2-CD1 4.24Å; W193-L258 HydrophobicContact CE3-CB 3.96Å; W193-L258 HydrophobicContact CG-CD1 4.46Å; W193-L258 HydrophobicContact CH2-CB 3.92Å; W193-L258 HydrophobicContact CZ2-CB 4.18Å; W193-L258 HydrophobicContact CZ2-CD1 4.41Å; W193-L258 HydrophobicContact CZ3-CB 3.81Å; L258-M277 CarbonylContact O-C 3.23Å; L258-M277 WeakPolarHBondContact O-CA 3.46Å; L258-W278 HydrophobicContact CB-CB 4.23Å; L258-W278 PolarHBondContact N-O 3.4Å; L258-W278 PolarHBondContact O-N 3.33Å
259	Y	98.4	Very high	97.3	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.6	173.2	-167.1	-143.2	0	0	0	110.9	M191 C192 S215 C218 M219 T261 R276 M277 T288	M191-Y259 WeakPolarHBondContact CA-O 3.3Å; C192-Y259 PolarHBondContact N-O 2.81Å; C192-Y259 PolarHBondContact O-N 2.86Å; S215-Y259 PolarHBondContact O-OH 3.08Å; C218-Y259 HydrophobicContact CB-CD1 4.39Å; C218-Y259 HydrophobicContact CB-CE1 4.39Å; M219-Y259 WeakPolarHBondContact CG-OH 3.18Å; M219-Y259 PolarHBondContact SD-OH 3.38Å; M219-Y259 VanDerWaalsContact SD-OH 3.36Å; Y259-T261 HydrophobicContact CD1-CG2 4.18Å; Y259-T261 HydrophobicContact CE1-CG2 3.69Å; Y259-T261 HydrophobicContact CE2-CG2 4.18Å; Y259-R276 WeakPolarHBondContact CD2-O 3.33Å; Y259-M277 HydrophobicContact CD2-CB 4.01Å; Y259-M277 HydrophobicContact CD2-CE 4.09Å; Y259-M277 HydrophobicContact CG-CE 4.23Å; Y259-T288 PolarHBondContact OH-OG1 2.68Å; Y259-T288 VanDerWaalsContact OH-OG1 3.11Å
260	E	98.2	Very high	97.4	Very high	29 Å²	29	54.7 Å²	54.7	14%	0.136	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132	178.1	176.2	-165.7	178.4	0	0	108.8	M191 G275 R276 W278	M191-E260 HydrophobicContact CG-CB 3.98Å; M191-E260 HydrophobicContact CG-CG 4Å; M191-E260 HydrophobicContact SD-CG 4.42Å; E260-G275 CarbonylContact O-C 3.55Å; E260-G275 WeakPolarHBondContact O-CA 3.27Å; E260-R276 HydrophobicContact CB-CB 4.34Å; E260-R276 PolarHBondContact N-O 3.08Å; E260-R276 PolarHBondContact O-N 2.77Å; E260-R276 IonicContact OE1-NH1 2.75Å; E260-W278 PolarHBondContact OE2-NE1 3.22Å; E260-W278 VanDerWaalsContact OE2-NE1 3.07Å
261	T	98.3	Very high	97.5	Very high	1 Å²	1	49 Å²	49	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	141.8	174.7	56.8	0	0	0	0	110.6	S189 Y190 M219 T222 Y259 N274	S189-T261 WeakPolarHBondContact CA-O 3.48Å; Y190-T261 PolarHBondContact N-O 2.82Å; Y190-T261 PolarHBondContact O-N 3.32Å; Y190-T261 PolarHBondContact O-OG1 3.37Å; M219-T261 HydrophobicContact CG-CG2 4.06Å; T222-T261 PolarHBondContact OG1-OG1 3Å; Y259-T261 HydrophobicContact CD1-CG2 4.18Å; Y259-T261 HydrophobicContact CE1-CG2 3.69Å; Y259-T261 HydrophobicContact CE2-CG2 4.18Å; T261-N274 CarbonylContact C-O 3.59Å; T261-N274 VanDerWaalsContact CA-O 3.3Å; T261-N274 WeakPolarHBondContact CA-O 3.35Å
262	V	98.3	Very high	97.6	Very high	49 Å²	49	51.3 Å²	51.3	30%	0.297	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	124.4	179	-176.9	0	0	0	0	109.6	A188 I273 N274	A188-V262 CarbonylContact O-C 3.49Å; A188-V262 WeakPolarHBondContact O-CA 3.3Å; V262-I273 WeakPolarHBondContact O-CA 3.48Å; V262-N274 PolarHBondContact N-O 3.24Å; V262-N274 PolarHBondContact O-N 3.14Å
263	S	98.2	Very high	97.6	Very high	14 Å²	14	48.2 Å²	48.2	10%	0.098	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.7	167.9	178.1	0	0	0	0	109.7	A188 L272	A188-S263 PolarHBondContact O-N 2.91Å; S263-L272 WeakPolarHBondContact CA-O 3.47Å; S263-L272 PolarHBondContact OG-O 2.81Å
264	R	95	Very high	97.7	Very high	178 Å²	178	50.1 Å²	50.1	67%	0.672	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	-28.9	-177.2	-65.2	-167.8	-175.4	-147.6	-0.5	113.2	L272 N274	R264-L272 PolarHBondContact N-O 2.86Å; R264-N274 VanDerWaalsContact CD-OD1 3.3Å; R264-N274 WeakPolarHBondContact CD-OD1 3.28Å; R264-N274 PolarHBondContact NE-OD1 2.95Å
265	V	97.9	Very high	97.7	Very high	80 Å²	80	48.9 Å²	48.9	49%	0.485	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	138.4	-178.1	59.4	0	0	0	0	109.2	A267 A271 L272	V265-A267 HydrophobicContact CG2-CB 4.11Å; V265-A271 VanDerWaalsContact O-CA 3.26Å; V265-A271 WeakPolarHBondContact O-CA 3.48Å; V265-L272 HydrophobicContact CG1-CB 3.94Å; V265-L272 PolarHBondContact O-N 2.84Å
266	A	96.7	Very high	97.8	Very high	53 Å²	53	47.5 Å²	47.5	44%	0.438	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	111.4	165.2	0	0	0	0	0	108	R270 A271	A266-R270 CarbonylContact C-O 3.56Å; A266-R270 VanDerWaalsContact CA-O 3.23Å; A266-R270 WeakPolarHBondContact CA-O 3.23Å; A266-A271 HydrophobicContact CB-CB 4.02Å
267	A	96.2	Very high	97.8	Very high	60 Å²	60	45.8 Å²	45.8	50%	0.496	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	153.6	-176.7	0	0	0	0	0	110.5	V265 S269 R270	V265-A267 HydrophobicContact CG2-CB 4.11Å; A267-S269 VanDerWaalsContact C-N 3.29Å; A267-S269 PolarHBondContact O-N 3.21Å; A267-R270 PolarHBondContact N-O 2.97Å; A267-R270 PolarHBondContact O-N 2.75Å; A267-R270 VanDerWaalsContact O-O 3.05Å
268	N	96	Very high	97.8	Very high	140 Å²	140	45.8 Å²	45.8	75%	0.749	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	45.3	178.8	-166.1	27.7	0	0	0	113.5	R270	N268-R270 PolarHBondContact O-N 3.1Å; N268-R270 VanDerWaalsContact O-N 3.14Å
269	S	96	Very high	97.8	Very high	61 Å²	61	46.2 Å²	46.2	43%	0.427	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	18.1	-175.4	-50.6	0	0	0	0	115.1	A267 L293 I294	A267-S269 VanDerWaalsContact C-N 3.29Å; A267-S269 PolarHBondContact O-N 3.21Å; S269-L293 CarbonylContact O-C 3.47Å; S269-L293 WeakPolarHBondContact O-CA 3.42Å; S269-L293 VanDerWaalsContact O-CD1 3.27Å; S269-L293 WeakPolarHBondContact O-CD1 3.49Å; S269-I294 CarbonylContact C-O 3.57Å; S269-I294 WeakPolarHBondContact CA-O 3.23Å; S269-I294 WeakPolarHBondContact CB-O 3.34Å; S269-I294 PolarHBondContact O-N 2.94Å; S269-I294 VanDerWaalsContact O-O 3.1Å
270	R	97.8	Very high	97.6	Very high	108 Å²	108	47.2 Å²	47.2	41%	0.408	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	156	176.3	-62.8	-176.8	-59	156.6	4.8	111	L240 A266 A267 N268 E291 A292	L240-R270 HydrophobicContact CD1-CG 4.37Å; A266-R270 CarbonylContact C-O 3.56Å; A266-R270 VanDerWaalsContact CA-O 3.23Å; A266-R270 WeakPolarHBondContact CA-O 3.23Å; A267-R270 PolarHBondContact N-O 2.97Å; A267-R270 PolarHBondContact O-N 2.75Å; A267-R270 VanDerWaalsContact O-O 3.05Å; N268-R270 PolarHBondContact O-N 3.1Å; N268-R270 VanDerWaalsContact O-N 3.14Å; R270-E291 HydrophobicContact CB-CG 4.26Å; R270-E291 WeakPolarHBondContact CD-OE2 3.3Å; R270-E291 IonicContact CZ-OE1 3.15Å; R270-E291 IonicContact CZ-OE2 3.62Å; R270-E291 IonicContact NE-OE1 3.52Å; R270-E291 IonicContact NE-OE2 3.89Å; R270-E291 IonicContact NH1-OE1 3.35Å; R270-E291 PolarHBondContact NH1-OE1 2.87Å; R270-E291 IonicContact NH1-OE2 3.78Å; R270-E291 PolarHBondContact NH1-OE2 2.76Å; R270-E291 IonicContact NH2-OE1 3.83Å; R270-A292 CarbonylContact C-O 3.58Å; R270-A292 WeakPolarHBondContact CA-O 3.23Å
271	A	98	Very high	97.5	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.008	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139.2	170.8	0	0	0	0	0	110.8	A223 V265 A266 I273 E291 A292 I294	A223-A271 HydrophobicContact CB-CB 3.52Å; V265-A271 VanDerWaalsContact O-CA 3.26Å; V265-A271 WeakPolarHBondContact O-CA 3.48Å; A266-A271 HydrophobicContact CB-CB 4.02Å; A271-I273 HydrophobicContact CB-CD1 4.05Å; A271-E291 WeakPolarHBondContact O-CA 3.33Å; A271-A292 PolarHBondContact N-O 3.36Å; A271-A292 PolarHBondContact O-N 2.89Å; A271-I294 HydrophobicContact CB-CD1 3.84Å
272	L	98.6	Very high	97.4	Very high	63 Å²	63	51.7 Å²	51.7	33%	0.33	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.9	173	176.8	66.1	0	0	0	109.4	S263 R264 V265	S263-L272 WeakPolarHBondContact CA-O 3.47Å; S263-L272 PolarHBondContact OG-O 2.81Å; R264-L272 PolarHBondContact N-O 2.86Å; V265-L272 HydrophobicContact CG1-CB 3.94Å; V265-L272 PolarHBondContact O-N 2.84Å
273	I	98.6	Very high	97.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133	179.7	-52	97.2	0	0	0	109.4	M219 A223 V262 A271 A289 Q290 A292	M219-I273 HydrophobicContact CB-CB 4.32Å; M219-I273 HydrophobicContact CB-CG2 3.99Å; M219-I273 HydrophobicContact CE-CB 3.97Å; M219-I273 HydrophobicContact CE-CG2 3.8Å; M219-I273 VanDerWaalsContact CE-O 3.25Å; M219-I273 WeakPolarHBondContact CE-O 3.36Å; M219-I273 HydrophobicContact CG-CG2 4.4Å; M219-I273 WeakPolarHBondContact O-CG1 3.38Å; A223-I273 HydrophobicContact CB-CD1 3.94Å; A223-I273 HydrophobicContact CB-CG1 3.9Å; V262-I273 WeakPolarHBondContact O-CA 3.48Å; A271-I273 HydrophobicContact CB-CD1 4.05Å; I273-A289 CarbonylContact O-C 3.54Å; I273-A289 WeakPolarHBondContact O-CA 3.45Å; I273-Q290 PolarHBondContact N-O 3.27Å; I273-Q290 PolarHBondContact O-N 2.94Å; I273-A292 HydrophobicContact CD1-CB 4.09Å
274	N	98.5	Very high	97.4	Very high	40 Å²	40	53.7 Å²	53.7	21%	0.214	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	141.1	170.3	-59.9	118.3	0	0	0	109.9	T261 V262 R264 T288	T261-N274 CarbonylContact C-O 3.59Å; T261-N274 VanDerWaalsContact CA-O 3.3Å; T261-N274 WeakPolarHBondContact CA-O 3.35Å; V262-N274 PolarHBondContact N-O 3.24Å; V262-N274 PolarHBondContact O-N 3.14Å; R264-N274 VanDerWaalsContact CD-OD1 3.3Å; R264-N274 WeakPolarHBondContact CD-OD1 3.28Å; R264-N274 PolarHBondContact NE-OD1 2.95Å; N274-T288 CarbonylContact C-O 3.53Å; N274-T288 VanDerWaalsContact CA-O 3.3Å; N274-T288 WeakPolarHBondContact CA-O 3.05Å
275	G	98.4	Very high	97.6	Very high	3 Å²	3	45.3 Å²	45.3	3%	0.031	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	153.9	174.9	0	0	0	0	0	112.5	E260 S287 T288	E260-G275 CarbonylContact O-C 3.55Å; E260-G275 WeakPolarHBondContact O-CA 3.27Å; G275-S287 CarbonylContact O-C 3.59Å; G275-S287 WeakPolarHBondContact O-CA 3.25Å; G275-T288 VanDerWaalsContact CA-OG1 3.27Å; G275-T288 WeakPolarHBondContact CA-OG1 3.45Å; G275-T288 PolarHBondContact N-O 3.32Å; G275-T288 PolarHBondContact N-OG1 2.79Å; G275-T288 PolarHBondContact O-N 3.14Å
276	R	98.6	Very high	97.6	Very high	79 Å²	79	41.5 Å²	41.5	30%	0.298	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	125.6	171.9	-69.8	177.7	-178.7	152	-6.6	108.8	Y259 E260 W278 L284 L286	Y259-R276 WeakPolarHBondContact CD2-O 3.33Å; E260-R276 HydrophobicContact CB-CB 4.34Å; E260-R276 PolarHBondContact N-O 3.08Å; E260-R276 PolarHBondContact O-N 2.77Å; E260-R276 IonicContact OE1-NH1 2.75Å; R276-W278 HydrophobicContact CB-CZ2 4.41Å; R276-L284 HydrophobicContact CB-CD1 3.74Å; R276-L284 HydrophobicContact CG-CD1 4.04Å; R276-L286 CarbonylContact C-O 3.55Å; R276-L286 WeakPolarHBondContact CA-O 3.02Å
277	M	98.7	Very high	97.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.2	174.2	-169.8	176.7	-70.4	0	0	109.5	V194 A211 I214 M253 M257 L258 Y259 V285 L286	V194-M277 HydrophobicContact CG2-CE 4.36Å; A211-M277 HydrophobicContact CB-SD 4.36Å; I214-M277 HydrophobicContact CG2-CE 3.8Å; M253-M277 HydrophobicContact CE-CE 4.44Å; M253-M277 HydrophobicContact CE-SD 4.2Å; M253-M277 HydrophobicContact SD-SD 3.65Å; M253-M277 VanDerWaalsContact SD-SD 3.65Å; M257-M277 HydrophobicContact CB-CG 3.94Å; M257-M277 HydrophobicContact CB-SD 4.13Å; M257-M277 HydrophobicContact CE-CG 4.17Å; M257-M277 HydrophobicContact CE-SD 4.39Å; M257-M277 HydrophobicContact CG-SD 4.43Å; L258-M277 CarbonylContact O-C 3.23Å; L258-M277 WeakPolarHBondContact O-CA 3.46Å; Y259-M277 HydrophobicContact CD2-CB 4.01Å; Y259-M277 HydrophobicContact CD2-CE 4.09Å; Y259-M277 HydrophobicContact CG-CE 4.23Å; M277-V285 HydrophobicContact CB-CG2 4.16Å; M277-V285 HydrophobicContact CG-CG2 4.1Å; M277-V285 WeakPolarHBondContact O-CG2 3.34Å; M277-V285 PolarHBondContact O-N 3.19Å; M277-L286 HydrophobicContact CB-CB 4.06Å; M277-L286 HydrophobicContact CB-CD2 4.38Å; M277-L286 HydrophobicContact CB-CG 4.49Å; M277-L286 HydrophobicContact CE-CD2 4.35Å; M277-L286 PolarHBondContact N-O 2.97Å; M277-L286 PolarHBondContact O-N 2.85Å; M277-L286 HydrophobicContact SD-CD2 4.43Å
278	W	98.7	Very high	97.9	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.9	-176.6	-50.4	85.7	0	0	0	109.8	N125 M127 M257 L258 E260 R276 K283 L284	N125-W278 HydrophobicContact CB-CH2 3.93Å; N125-W278 WeakPolarHBondContact O-CZ3 3.36Å; M127-W278 HydrophobicContact CB-CD2 3.98Å; M127-W278 HydrophobicContact CB-CE3 3.66Å; M127-W278 HydrophobicContact CB-CG 4.43Å; M127-W278 HydrophobicContact CB-CZ3 4.03Å; M127-W278 HydrophobicContact CG-CB 3.87Å; M127-W278 HydrophobicContact CG-CD2 3.84Å; M127-W278 HydrophobicContact CG-CE3 4.03Å; M127-W278 HydrophobicContact CG-CG 3.79Å; M127-W278 HydrophobicContact SD-CB 3.65Å; M127-W278 HydrophobicContact SD-CG 4.25Å; M257-W278 CarbonylContact C-O 3.6Å; M257-W278 VanDerWaalsContact CA-O 3.25Å; M257-W278 WeakPolarHBondContact CA-O 3.22Å; L258-W278 HydrophobicContact CB-CB 4.23Å; L258-W278 PolarHBondContact N-O 3.4Å; L258-W278 PolarHBondContact O-N 3.33Å; E260-W278 PolarHBondContact OE2-NE1 3.22Å; E260-W278 VanDerWaalsContact OE2-NE1 3.07Å; R276-W278 HydrophobicContact CB-CZ2 4.41Å; W278-K283 CarbonylContact C-O 3.51Å; W278-K283 WeakPolarHBondContact CA-O 3.41Å; W278-L284 HydrophobicContact CD2-CB 4.42Å; W278-L284 HydrophobicContact CD2-CD1 3.9Å; W278-L284 HydrophobicContact CE3-CB 3.73Å; W278-L284 HydrophobicContact CE3-CD1 4.07Å; W278-L284 HydrophobicContact CE3-CG 4.49Å; W278-L284 HydrophobicContact CH2-CB 4.19Å; W278-L284 HydrophobicContact CH2-CD1 4.16Å; W278-L284 HydrophobicContact CZ2-CD1 3.99Å; W278-L284 HydrophobicContact CZ3-CB 3.6Å; W278-L284 HydrophobicContact CZ3-CD1 4.2Å; W278-L284 HydrophobicContact CZ3-CG 4.37Å
279	S	98.1	Very high	98	Very high	10 Å²	10	31.8 Å²	31.8	7%	0.07	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	159.2	169.2	52.5	0	0	0	0	111.5	M257 D281 G282 K283	M257-S279 VanDerWaalsContact CE-CA 3.5Å; S279-D281 WeakPolarHBondContact CB-OD1 3.16Å; S279-D281 PolarHBondContact O-N 2.99Å; S279-D281 VanDerWaalsContact O-N 3.09Å; S279-D281 PolarHBondContact OG-OD1 2.98Å; S279-G282 PolarHBondContact O-N 3.46Å; S279-K283 PolarHBondContact N-O 3.46Å; S279-K283 VanDerWaalsContact OG-CB 3.3Å; S279-K283 WeakPolarHBondContact OG-CB 3.29Å; S279-K283 PolarHBondContact OG-N 2.69Å; S279-K283 VanDerWaalsContact OG-N 3.13Å; S279-K283 PolarHBondContact OG-O 3.17Å
280	G	95.4	Very high	98.1	Very high	22 Å²	22	28.9 Å²	28.9	23%	0.227	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-16.4	-179	0	0	0	0	0	115.4	R132 W256	R132-G280 PolarHBondContact NH1-O 2.87Å; W256-G280 PolarHBondContact O-N 2.88Å
281	D	95.4	Very high	98.1	Very high	111 Å²	111	25.6 Å²	25.6	59%	0.594	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-1	172.5	70.5	-19.9	0	0	0	113.5	S279 K283	S279-D281 WeakPolarHBondContact CB-OD1 3.16Å; S279-D281 PolarHBondContact O-N 2.99Å; S279-D281 VanDerWaalsContact O-N 3.09Å; S279-D281 PolarHBondContact OG-OD1 2.98Å; D281-K283 VanDerWaalsContact OD2-CE 3.31Å; D281-K283 WeakPolarHBondContact OD2-CE 3.48Å; D281-K283 IonicContact OD2-NZ 2.71Å
282	G	97.3	Very high	98.1	Very high	13 Å²	13	25.6 Å²	25.6	13%	0.134	14%	0.14	C	C	.	.	S	Bend	trans	95	12.9	171.2	0	0	0	0	0	116.2	Q124 S279	Q124-G282 PolarHBondContact NE2-O 3.39Å; S279-G282 PolarHBondContact O-N 3.46Å
283	K	97.9	Very high	98	Very high	86 Å²	86	24 Å²	24	37%	0.374	13%	0.131	S	C	.	.			trans	-80.1	137.7	172.6	-56	175.6	-178	173.4	0	110.6	W278 S279 D281 V285	W278-K283 CarbonylContact C-O 3.51Å; W278-K283 WeakPolarHBondContact CA-O 3.41Å; S279-K283 PolarHBondContact N-O 3.46Å; S279-K283 VanDerWaalsContact OG-CB 3.3Å; S279-K283 WeakPolarHBondContact OG-CB 3.29Å; S279-K283 PolarHBondContact OG-N 2.69Å; S279-K283 VanDerWaalsContact OG-N 3.13Å; S279-K283 PolarHBondContact OG-O 3.17Å; D281-K283 VanDerWaalsContact OD2-CE 3.31Å; D281-K283 WeakPolarHBondContact OD2-CE 3.48Å; D281-K283 IonicContact OD2-NZ 2.71Å; K283-V285 HydrophobicContact CB-CG1 4.43Å; K283-V285 PolarHBondContact O-N 3.36Å
284	L	98.5	Very high	97.8	Very high	19 Å²	19	25 Å²	25	10%	0.099	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	108.9	170.1	-179.5	64	0	0	0	108.4	H247 R276 W278	H247-L284 WeakPolarHBondContact CB-O 3.26Å; R276-L284 HydrophobicContact CB-CD1 3.74Å; R276-L284 HydrophobicContact CG-CD1 4.04Å; W278-L284 HydrophobicContact CD2-CB 4.42Å; W278-L284 HydrophobicContact CD2-CD1 3.9Å; W278-L284 HydrophobicContact CE3-CB 3.73Å; W278-L284 HydrophobicContact CE3-CD1 4.07Å; W278-L284 HydrophobicContact CE3-CG 4.49Å; W278-L284 HydrophobicContact CH2-CB 4.19Å; W278-L284 HydrophobicContact CH2-CD1 4.16Å; W278-L284 HydrophobicContact CZ2-CD1 3.99Å; W278-L284 HydrophobicContact CZ3-CB 3.6Å; W278-L284 HydrophobicContact CZ3-CD1 4.2Å; W278-L284 HydrophobicContact CZ3-CG 4.37Å
285	V	98.4	Very high	97.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-28.2	-173.8	-57.4	0	0	0	0	113.1	F246 H247 D248 F251 M257 M277 K283	F246-V285 WeakPolarHBondContact CA-O 3.47Å; H247-V285 PolarHBondContact N-O 2.92Å; D248-V285 HydrophobicContact CB-CB 4.47Å; D248-V285 HydrophobicContact CB-CG1 4.27Å; F251-V285 HydrophobicContact CB-CG1 3.89Å; F251-V285 HydrophobicContact CD1-CB 3.64Å; F251-V285 HydrophobicContact CD1-CG1 3.9Å; F251-V285 HydrophobicContact CD1-CG2 4.07Å; F251-V285 HydrophobicContact CD2-CG2 4.24Å; F251-V285 HydrophobicContact CE1-CB 3.93Å; F251-V285 HydrophobicContact CE1-CG2 4.14Å; F251-V285 HydrophobicContact CE2-CG2 4.31Å; F251-V285 HydrophobicContact CG-CB 4.02Å; F251-V285 HydrophobicContact CG-CG1 3.96Å; F251-V285 HydrophobicContact CG-CG2 4.12Å; F251-V285 HydrophobicContact CZ-CG2 4.27Å; M257-V285 HydrophobicContact CE-CB 4.36Å; M257-V285 HydrophobicContact CE-CG1 4.08Å; M257-V285 HydrophobicContact CE-CG2 3.38Å; M277-V285 HydrophobicContact CB-CG2 4.16Å; M277-V285 HydrophobicContact CG-CG2 4.1Å; M277-V285 WeakPolarHBondContact O-CG2 3.34Å; M277-V285 PolarHBondContact O-N 3.19Å; K283-V285 HydrophobicContact CB-CG1 4.43Å; K283-V285 PolarHBondContact O-N 3.36Å
286	L	98.7	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	134.9	-174.2	163.5	69.4	0	0	0	110.5	A211 M244 W245 F246 R276 M277 T288	A211-L286 HydrophobicContact CB-CD2 4.14Å; M244-L286 HydrophobicContact CB-CD1 3.68Å; W245-L286 WeakPolarHBondContact O-CA 2.97Å; F246-L286 HydrophobicContact CD1-CB 4.04Å; F246-L286 HydrophobicContact CD1-CD1 3.87Å; F246-L286 HydrophobicContact CD1-CG 4.41Å; F246-L286 HydrophobicContact CE1-CB 4.25Å; F246-L286 HydrophobicContact CE1-CD1 3.79Å; F246-L286 HydrophobicContact CE1-CD2 4.04Å; F246-L286 HydrophobicContact CE1-CG 4.25Å; F246-L286 HydrophobicContact CG-CD1 4.31Å; F246-L286 HydrophobicContact CZ-CD1 4.15Å; R276-L286 CarbonylContact C-O 3.55Å; R276-L286 WeakPolarHBondContact CA-O 3.02Å; M277-L286 HydrophobicContact CB-CB 4.06Å; M277-L286 HydrophobicContact CB-CD2 4.38Å; M277-L286 HydrophobicContact CB-CG 4.49Å; M277-L286 HydrophobicContact CE-CD2 4.35Å; M277-L286 PolarHBondContact N-O 2.97Å; M277-L286 PolarHBondContact O-N 2.85Å; M277-L286 HydrophobicContact SD-CD2 4.43Å; L286-T288 HydrophobicContact CD1-CG2 3.96Å; L286-T288 HydrophobicContact CD2-CG2 4.18Å; L286-T288 HydrophobicContact CG-CG2 3.99Å
287	S	98.7	Very high	96.8	Very high	26 Å²	26	33.9 Å²	33.9	18%	0.182	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	143.6	165.3	-67.8	0	0	0	0	110.2	M244 W245 H247 G275	M244-S287 VanDerWaalsContact CA-O 3.31Å; M244-S287 WeakPolarHBondContact CA-O 3.46Å; W245-S287 PolarHBondContact N-O 3.49Å; W245-S287 PolarHBondContact O-N 2.64Å; H247-S287 WeakPolarHBondContact NE2-CB 3.36Å; H247-S287 PolarHBondContact NE2-N 2.83Å; H247-S287 PolarHBondContact NE2-OG 3.49Å; G275-S287 CarbonylContact O-C 3.59Å; G275-S287 WeakPolarHBondContact O-CA 3.25Å
288	T	98.7	Very high	96.2	Very high	4 Å²	4	40 Å²	40	3%	0.025	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.8	175.5	67.4	0	0	0	0	113.4	M219 S243 M244 Y259 N274 G275 L286	M219-T288 WeakPolarHBondContact CE-OG1 3.48Å; S243-T288 CarbonylContact O-C 3.45Å; S243-T288 WeakPolarHBondContact O-CA 3.31Å; S243-T288 WeakPolarHBondContact O-CB 3.19Å; M244-T288 HydrophobicContact CB-CG2 4.12Å; Y259-T288 PolarHBondContact OH-OG1 2.68Å; Y259-T288 VanDerWaalsContact OH-OG1 3.11Å; N274-T288 CarbonylContact C-O 3.53Å; N274-T288 VanDerWaalsContact CA-O 3.3Å; N274-T288 WeakPolarHBondContact CA-O 3.05Å; G275-T288 VanDerWaalsContact CA-OG1 3.27Å; G275-T288 WeakPolarHBondContact CA-OG1 3.45Å; G275-T288 PolarHBondContact N-O 3.32Å; G275-T288 PolarHBondContact N-OG1 2.79Å; G275-T288 PolarHBondContact O-N 3.14Å; L286-T288 HydrophobicContact CD1-CG2 3.96Å; L286-T288 HydrophobicContact CD2-CG2 4.18Å; L286-T288 HydrophobicContact CG-CG2 3.99Å
289	A	98.6	Very high	95.2	Very high	19 Å²	19	46.1 Å²	46.1	16%	0.157	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	135.3	169.1	0	0	0	0	0	109.2	S243 W245 I273	S243-A289 PolarHBondContact N-O 3.49Å; S243-A289 PolarHBondContact O-N 2.84Å; W245-A289 HydrophobicContact CZ3-CB 4.2Å; I273-A289 CarbonylContact O-C 3.54Å; I273-A289 WeakPolarHBondContact O-CA 3.45Å
290	Q	98.6	Very high	95.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	128.1	-176	173.7	162.8	-30.4	0	0	109.9	D216 M219 S239 D241 H242 I273	D216-Q290 PolarHBondContact OD1-NE2 3.31Å; D216-Q290 PolarHBondContact OD1-OE1 3.22Å; M219-Q290 HydrophobicContact CE-CB 3.58Å; M219-Q290 HydrophobicContact SD-CB 3.73Å; M219-Q290 HydrophobicContact SD-CG 4.42Å; M219-Q290 PolarHBondContact SD-OE1 3.1Å; S239-Q290 PolarHBondContact OG-NE2 3.41Å; D241-Q290 WeakPolarHBondContact O-CG 3.4Å; H242-Q290 PolarHBondContact ND1-OE1 3.46Å; I273-Q290 PolarHBondContact N-O 3.27Å; I273-Q290 PolarHBondContact O-N 2.94Å
291	E	98.3	Very high	95.1	Very high	40 Å²	40	49.3 Å²	49.3	19%	0.187	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.2	165	-164.7	172.6	-121.8	0	0	110.3	L240 D241 R270 A271	L240-E291 WeakPolarHBondContact CB-O 3.37Å; L240-E291 HydrophobicContact CD1-CG 4.25Å; L240-E291 PolarHBondContact N-O 2.92Å; D241-E291 PolarHBondContact OD1-N 3.22Å; R270-E291 HydrophobicContact CB-CG 4.26Å; R270-E291 WeakPolarHBondContact CD-OE2 3.3Å; R270-E291 IonicContact CZ-OE1 3.15Å; R270-E291 IonicContact CZ-OE2 3.62Å; R270-E291 IonicContact NE-OE1 3.52Å; R270-E291 IonicContact NE-OE2 3.89Å; R270-E291 IonicContact NH1-OE1 3.35Å; R270-E291 PolarHBondContact NH1-OE1 2.87Å; R270-E291 IonicContact NH1-OE2 3.78Å; R270-E291 PolarHBondContact NH1-OE2 2.76Å; R270-E291 IonicContact NH2-OE1 3.83Å; A271-E291 WeakPolarHBondContact O-CA 3.33Å
292	A	97.5	Very high	95.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.8	176.8	0	0	0	0	0	110.7	V220 V238 R270 A271 I273 I294	V220-A292 HydrophobicContact CG1-CB 4.29Å; V220-A292 HydrophobicContact CG2-CB 3.87Å; V238-A292 CarbonylContact O-C 3.51Å; V238-A292 WeakPolarHBondContact O-CA 3.45Å; R270-A292 CarbonylContact C-O 3.58Å; R270-A292 WeakPolarHBondContact CA-O 3.23Å; A271-A292 PolarHBondContact N-O 3.36Å; A271-A292 PolarHBondContact O-N 2.89Å; I273-A292 HydrophobicContact CD1-CB 4.09Å; A292-I294 HydrophobicContact CB-CD1 4.45Å; A292-I294 HydrophobicContact CB-CG1 4.28Å
293	L	96.8	Very high	94.9	Very high	30 Å²	30	47.8 Å²	47.8	16%	0.157	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	119	166.1	174.4	64.2	0	0	0	108.6	M236 A237 V238 L240 S269 R295	M236-L293 HydrophobicContact CE-CD2 3.37Å; M236-L293 HydrophobicContact CE-CG 3.76Å; A237-L293 CarbonylContact C-O 3.59Å; A237-L293 VanDerWaalsContact CA-O 3.28Å; A237-L293 WeakPolarHBondContact CA-O 3.42Å; V238-L293 HydrophobicContact CG2-CB 3.95Å; V238-L293 HydrophobicContact CG2-CD2 4.25Å; V238-L293 HydrophobicContact CG2-CG 4.48Å; V238-L293 PolarHBondContact N-O 3.5Å; V238-L293 PolarHBondContact O-N 2.88Å; L240-L293 HydrophobicContact CD1-CB 4.1Å; L240-L293 HydrophobicContact CD2-CB 3.9Å; L240-L293 HydrophobicContact CD2-CD2 4.49Å; L240-L293 HydrophobicContact CG-CB 3.97Å; S269-L293 CarbonylContact O-C 3.47Å; S269-L293 WeakPolarHBondContact O-CA 3.42Å; S269-L293 VanDerWaalsContact O-CD1 3.27Å; S269-L293 WeakPolarHBondContact O-CD1 3.49Å; L293-R295 HydrophobicContact CD1-CG 4.26Å
294	I	94.5	Very high	94.8	Very high	20 Å²	20	45.4 Å²	45.4	10%	0.103	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	119.3	-179	-61	175.7	0	0	0	108.3	V220 A223 L224 F232 L234 A237 S269 A271 A292	V220-I294 HydrophobicContact CG1-CD1 4.41Å; V220-I294 HydrophobicContact CG1-CG1 4.5Å; A223-I294 HydrophobicContact CB-CD1 3.85Å; L224-I294 HydrophobicContact CD2-CD1 4.17Å; L224-I294 HydrophobicContact CD2-CG2 3.77Å; F232-I294 HydrophobicContact CZ-CG2 4.43Å; L234-I294 HydrophobicContact CD1-CG2 3.76Å; A237-I294 HydrophobicContact CB-CG1 4.25Å; S269-I294 CarbonylContact C-O 3.57Å; S269-I294 WeakPolarHBondContact CA-O 3.23Å; S269-I294 WeakPolarHBondContact CB-O 3.34Å; S269-I294 PolarHBondContact O-N 2.94Å; S269-I294 VanDerWaalsContact O-O 3.1Å; A271-I294 HydrophobicContact CB-CD1 3.84Å; A292-I294 HydrophobicContact CB-CD1 4.45Å; A292-I294 HydrophobicContact CB-CG1 4.28Å
295	R	94	Very high	94.5	Very high	135 Å²	135	47.1 Å²	47.1	51%	0.509	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	140.5	174	-61.6	-179	175.7	164.1	-3.3	110	A235 M236 L293	A235-R295 WeakPolarHBondContact CA-O 3.43Å; A235-R295 WeakPolarHBondContact CB-O 3.5Å; A235-R295 PolarHBondContact N-O 2.84Å; M236-R295 HydrophobicContact CG-CB 3.7Å; M236-R295 HydrophobicContact CG-CG 4.17Å; M236-R295 PolarHBondContact N-O 3.04Å; M236-R295 PolarHBondContact O-N 2.92Å; M236-R295 HydrophobicContact SD-CB 4.43Å; M236-R295 HydrophobicContact SD-CG 4.34Å; L293-R295 HydrophobicContact CD1-CG 4.26Å
296	G	90.9	Very high	94.2	Very high	35 Å²	35	50.4 Å²	50.4	36%	0.361	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	-170.9	177.8	0	0	0	0	0	109.6	S233	S233-G296 CarbonylContact O-C 3.45Å; S233-G296 WeakPolarHBondContact O-CA 3.21Å
297	K	89.5	Confident	93.9	Very high	139 Å²	139	54.3 Å²	54.3	60%	0.604	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.9	144	176.1	59.6	-179.1	-177.4	177.5	0	109.7	S233 V299	S233-K297 PolarHBondContact N-O 3.41Å; S233-K297 PolarHBondContact O-N 3.03Å; K297-V299 HydrophobicContact CD-CG2 4.42Å; K297-V299 HydrophobicContact CG-CG2 4.04Å
298	F	85.1	Confident	93.5	Very high	128 Å²	128	56.7 Å²	56.7	56%	0.561	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	129.4	164.2	-66	-83.1	0	0	0	107.6	K230 F232	K230-F298 HydrophobicContact CB-CE1 4.28Å; K230-F298 WeakPolarHBondContact O-CD1 3.34Å; F232-F298 HydrophobicContact CB-CD1 4.01Å; F232-F298 HydrophobicContact CB-CE1 3.82Å; F232-F298 HydrophobicContact CD2-CD1 4.13Å; F232-F298 HydrophobicContact CD2-CD2 4.23Å; F232-F298 AromaticContact CD2-CE1 3.86Å; F232-F298 HydrophobicContact CD2-CE1 3.86Å; F232-F298 AromaticContact CD2-CE2 3.96Å; F232-F298 HydrophobicContact CD2-CE2 3.96Å; F232-F298 HydrophobicContact CD2-CG 4.31Å; F232-F298 AromaticContact CD2-CZ 3.77Å; F232-F298 HydrophobicContact CD2-CZ 3.77Å; F232-F298 HydrophobicContact CE2-CE2 4.41Å; F232-F298 HydrophobicContact CE2-CZ 4.49Å; F232-F298 HydrophobicContact CG-CE1 4.25Å; F232-F298 HydrophobicContact CG-CZ 4.48Å
299	V	79.4	Confident	93	Very high	130 Å²	130	61.5 Å²	61.5	79%	0.788	31%	0.312	S	S	*	.			trans	-105	0	-178.7	-172.3	0	0	0	0	110.5	N231 K297	N231-V299 WeakPolarHBondContact CB-O 2.88Å; N231-V299 PolarHBondContact ND2-O 2.93Å; N231-V299 PolarHBondContact O-N 3.19Å; K297-V299 HydrophobicContact CD-CG2 4.42Å; K297-V299 HydrophobicContact CG-CG2 4.04Å

Retrieved 299 of 299 residues in 1276.9 ms (Link to these results)

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