A0A090A1W2_HUMAN Loading...

MHC class II antigen

AlphaFold DB (A0A0D6E116), UniProt , Accession A0A090A1W2, Species HUMAN (Homo sapiens, Human), Gene HLA-DPB1, Length 181 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	N	88.7	Confident	97	Very high	196 Å²	196	102.1 Å²	102.1	100%	1.048	50%	0.496	S	S	*	.				0	137.9	0	-164	14.3	0	0	0	107.2
2	Y	95.6	Very high	96.8	Very high	183 Å²	183	97.3 Å²	97.3	72%	0.718	49%	0.485	S	S	*	.			trans	-117.9	141.5	179.6	-59.2	-69	0	0	0	108.8	Y25	Y2-Y25 WeakPolarHBondContact CD1-OH 3.21Å
3	L	98.2	Very high	96.6	Very high	87 Å²	87	100.5 Å²	100.5	46%	0.455	49%	0.494	S	S	.	.			trans	-134.5	134.1	-177.1	-173.3	66	0	0	0	110	Q5 N26	L3-Q5 HydrophobicContact CD2-CG 4.21Å; L3-Q5 HydrophobicContact CG-CG 4.04Å; L3-N26 PolarHBondContact N-OD1 2.98Å; L3-N26 PolarHBondContact O-N 2.87Å
4	F	98	Very high	96.3	Very high	120 Å²	120	103.5 Å²	103.5	53%	0.526	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.1	170.6	-167.1	-85.6	0	0	0	108.8	Y23 Y25 F30	F4-Y23 HydrophobicContact CE1-CD1 4.36Å; F4-Y23 HydrophobicContact CZ-CD1 4.07Å; F4-Y25 HydrophobicContact CD2-CD2 4.27Å; F4-F30 HydrophobicContact CD2-CE1 4.45Å; F4-F30 AromaticContact CE2-CE1 3.48Å; F4-F30 HydrophobicContact CE2-CE1 3.48Å; F4-F30 VanDerWaalsContact CE2-CE1 3.48Å; F4-F30 AromaticContact CE2-CZ 3.64Å; F4-F30 HydrophobicContact CE2-CZ 3.64Å; F4-F30 AromaticContact CZ-CE1 3.88Å; F4-F30 HydrophobicContact CZ-CE1 3.88Å; F4-F30 AromaticContact CZ-CZ 3.84Å; F4-F30 HydrophobicContact CZ-CZ 3.84Å
5	Q	98.5	Very high	95.8	Very high	52 Å²	52	101.2 Å²	101.2	24%	0.243	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.8	-179.4	-50.7	-178.2	11.7	0	0	110.4	L3 I24	L3-Q5 HydrophobicContact CD2-CG 4.21Å; L3-Q5 HydrophobicContact CG-CG 4.04Å; Q5-I24 HydrophobicContact CB-CB 4.22Å; Q5-I24 PolarHBondContact N-O 2.85Å; Q5-I24 PolarHBondContact O-N 2.87Å
6	G	97.9	Very high	95.8	Very high	48 Å²	48	100.3 Å²	100.3	50%	0.495	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	152.7	165.6	0	0	0	0	0	110.8	R22	G6-R22 WeakPolarHBondContact CA-O 3.4Å
7	R	98.4	Very high	95.9	Very high	112 Å²	112	95.7 Å²	95.7	42%	0.423	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.2	164.1	-63.3	-67.9	-177.5	-83.4	-8.6	109	E9 E21 R22 I24	R7-E9 HydrophobicContact CB-CG 4.05Å; R7-E21 CarbonylContact O-C 3.44Å; R7-E21 VanDerWaalsContact O-CA 3.26Å; R7-E21 WeakPolarHBondContact O-CA 3.36Å; R7-R22 HydrophobicContact CB-CB 4.15Å; R7-R22 HydrophobicContact CB-CG 4.35Å; R7-R22 PolarHBondContact N-O 2.8Å; R7-R22 PolarHBondContact O-N 3.19Å; R7-I24 HydrophobicContact CG-CD1 4.07Å
8	Q	98.4	Very high	96.1	Very high	117 Å²	117	95.6 Å²	95.6	55%	0.547	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	99	172.2	-73.9	178.8	-30.6	0	0	106.5	F19 E21	Q8-F19 HydrophobicContact CB-CE2 3.94Å; Q8-F19 HydrophobicContact CB-CZ 4.37Å; Q8-F19 HydrophobicContact CG-CE2 4.27Å; Q8-F19 HydrophobicContact CG-CZ 4.18Å; Q8-E21 HydrophobicContact CG-CG 4.03Å; Q8-E21 PolarHBondContact NE2-OE1 2.81Å
9	E	98.4	Very high	96.2	Very high	42 Å²	42	90.6 Å²	90.6	20%	0.196	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.6	-169	-60.6	170.1	-176.8	0	0	109.2	R7 Y11 F19 L20 R22	R7-E9 HydrophobicContact CB-CG 4.05Å; E9-Y11 HydrophobicContact CB-CD2 4.29Å; E9-Y11 HydrophobicContact CB-CE2 3.54Å; E9-Y11 HydrophobicContact CG-CE2 4.49Å; E9-Y11 WeakPolarHBondContact OE2-CE2 3.44Å; E9-Y11 PolarHBondContact OE2-OH 3.43Å; E9-F19 CarbonylContact O-C 3.59Å; E9-F19 WeakPolarHBondContact O-CA 3.33Å; E9-F19 WeakPolarHBondContact O-CD2 3.32Å; E9-L20 HydrophobicContact CB-CB 4.07Å; E9-L20 PolarHBondContact N-O 2.67Å; E9-L20 PolarHBondContact O-N 3.43Å; E9-R22 VanDerWaalsContact CD-NE 3.28Å; E9-R22 WeakPolarHBondContact OE1-CD 3.29Å; E9-R22 IonicContact OE1-NE 3.16Å; E9-R22 PolarHBondContact OE1-NE 3.42Å; E9-R22 IonicContact OE2-CZ 3.57Å; E9-R22 IonicContact OE2-NE 3.18Å; E9-R22 PolarHBondContact OE2-NE 3.18Å; E9-R22 IonicContact OE2-NH2 2.92Å; E9-R22 PolarHBondContact OE2-NH2 3Å; E9-R22 VanDerWaalsContact OE2-NH2 3.15Å
10	C	97.8	Very high	96.3	Very high	54 Å²	54	86.3 Å²	86.3	37%	0.365	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118	172.5	-63	0	0	0	0	108.4	R18 C72	C10-R18 WeakPolarHBondContact CA-O 3.35Å; C10-C72 HydrophobicContact CB-CB 3.57Å; C10-C72 WeakPolarHBondContact CB-SG 3.14Å; C10-C72 WeakPolarHBondContact SG-CA 3.43Å; C10-C72 WeakPolarHBondContact SG-CB 3.42Å; C10-C72 CovalentContact SG-SG 2.04Å; C10-C72 PolarHBondContact SG-SG 3.28Å
11	Y	97.2	Very high	96.4	Very high	112 Å²	112	82.8 Å²	82.8	44%	0.439	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	110.8	176.2	-62.2	-91.9	0	0	0	108.7	E9 R18 L20	E9-Y11 HydrophobicContact CB-CD2 4.29Å; E9-Y11 HydrophobicContact CB-CE2 3.54Å; E9-Y11 HydrophobicContact CG-CE2 4.49Å; E9-Y11 WeakPolarHBondContact OE2-CE2 3.44Å; E9-Y11 PolarHBondContact OE2-OH 3.43Å; Y11-R18 PolarHBondContact N-O 2.88Å; Y11-R18 PolarHBondContact O-N 3.3Å; Y11-L20 HydrophobicContact CE2-CB 4.16Å
12	A	94.9	Very high	96.9	Very high	44 Å²	44	75.7 Å²	75.7	36%	0.364	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.5	176.5	0	0	0	0	0	110.1	T16 Y76	A12-T16 WeakPolarHBondContact CA-O 3.31Å; A12-Y76 HydrophobicContact CB-CD2 3.52Å; A12-Y76 HydrophobicContact CB-CE2 3.36Å; A12-Y76 HydrophobicContact CB-CG 4.35Å
13	F	93.9	Very high	97	Very high	139 Å²	139	69.1 Å²	69.1	61%	0.61	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.7	125	177.8	-177.6	-105	0	0	0	110.9	G15 T16	F13-G15 PolarHBondContact O-N 2.94Å; F13-G15 VanDerWaalsContact O-N 3.08Å; F13-T16 PolarHBondContact N-O 2.67Å; F13-T16 PolarHBondContact O-N 2.95Å; F13-T16 PolarHBondContact O-OG1 3.44Å
14	N	92.2	Very high	97.1	Very high	143 Å²	143	66 Å²	66	77%	0.765	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	43.5	176.4	-68.5	-8.1	0	0	0	114.6	T16	N14-T16 VanDerWaalsContact C-N 3.28Å; N14-T16 PolarHBondContact O-N 3.4Å
15	G	89.6	Confident	97.1	Very high	69 Å²	69	64.1 Å²	64.1	71%	0.711	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	-6.4	179.6	0	0	0	0	0	115.4	F13	F13-G15 PolarHBondContact O-N 2.94Å; F13-G15 VanDerWaalsContact O-N 3.08Å
16	T	95.5	Very high	97.1	Very high	86 Å²	86	64.4 Å²	64.4	53%	0.528	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	157.4	174.6	67.9	0	0	0	0	111.6	A12 F13 N14	A12-T16 WeakPolarHBondContact CA-O 3.31Å; F13-T16 PolarHBondContact N-O 2.67Å; F13-T16 PolarHBondContact O-N 2.95Å; F13-T16 PolarHBondContact O-OG1 3.44Å; N14-T16 VanDerWaalsContact C-N 3.28Å; N14-T16 PolarHBondContact O-N 3.4Å
17	Q	97.5	Very high	97	Very high	23 Å²	23	73.6 Å²	73.6	11%	0.107	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.3	175.3	-64.2	-67.6	-26.2	0	0	108.5	P68 C72 R73	Q17-P68 HydrophobicContact CB-CB 3.98Å; Q17-C72 HydrophobicContact CB-CB 4.14Å; Q17-C72 HydrophobicContact CG-CB 4.21Å; Q17-R73 HydrophobicContact CG-CB 4.23Å
18	R	98.3	Very high	97	Very high	94 Å²	94	72.7 Å²	72.7	36%	0.355	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.4	166.5	177.1	-174.1	179.6	179.4	-1.4	109	C10 Y11 D34 S35 D36	C10-R18 WeakPolarHBondContact CA-O 3.35Å; Y11-R18 PolarHBondContact N-O 2.88Å; Y11-R18 PolarHBondContact O-N 3.3Å; R18-D34 IonicContact CZ-OD1 3.32Å; R18-D34 IonicContact CZ-OD2 2.7Å; R18-D34 IonicContact NE-OD1 2.65Å; R18-D34 PolarHBondContact NE-OD1 2.84Å; R18-D34 IonicContact NE-OD2 3.11Å; R18-D34 IonicContact NH2-OD1 3.15Å; R18-D34 IonicContact NH2-OD2 3.52Å; R18-D34 PolarHBondContact NH2-OD2 3.21Å; R18-S35 WeakPolarHBondContact CA-OG 3.23Å; R18-S35 WeakPolarHBondContact CG-OG 3.23Å; R18-D36 WeakPolarHBondContact CD-OD2 3.41Å; R18-D36 IonicContact CZ-OD2 2.86Å; R18-D36 IonicContact NE-OD2 2.69Å; R18-D36 PolarHBondContact NE-OD2 2.94Å; R18-D36 IonicContact NH1-OD2 2.96Å
19	F	98.7	Very high	97	Very high	1 Å²	1	68.7 Å²	68.7	0%	0.004	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133	177.5	175.8	-116	0	0	0	110.7	Q8 E9 E21 F33 S35 K64 V67 P68 M71	Q8-F19 HydrophobicContact CB-CE2 3.94Å; Q8-F19 HydrophobicContact CB-CZ 4.37Å; Q8-F19 HydrophobicContact CG-CE2 4.27Å; Q8-F19 HydrophobicContact CG-CZ 4.18Å; E9-F19 CarbonylContact O-C 3.59Å; E9-F19 WeakPolarHBondContact O-CA 3.33Å; E9-F19 WeakPolarHBondContact O-CD2 3.32Å; F19-E21 HydrophobicContact CE1-CB 3.84Å; F19-E21 HydrophobicContact CZ-CB 3.71Å; F19-E21 HydrophobicContact CZ-CG 4.29Å; F19-F33 AromaticContact CD1-CD1 3.94Å; F19-F33 HydrophobicContact CD1-CD1 3.94Å; F19-F33 HydrophobicContact CD1-CE1 4.15Å; F19-F33 HydrophobicContact CE1-CD1 4.18Å; F19-S35 PolarHBondContact N-OG 2.03Å; F19-S35 PolarHBondContact O-N 2.97Å; F19-S35 PolarHBondContact O-OG 2.92Å; F19-K64 HydrophobicContact CE1-CD 4.35Å; F19-V67 HydrophobicContact CB-CB 4.31Å; F19-V67 HydrophobicContact CB-CG1 4.13Å; F19-V67 HydrophobicContact CD1-CB 3.6Å; F19-V67 HydrophobicContact CD1-CG1 3.64Å; F19-V67 HydrophobicContact CD1-CG2 4.09Å; F19-V67 HydrophobicContact CD2-CB 4.3Å; F19-V67 HydrophobicContact CD2-CG1 3.43Å; F19-V67 VanDerWaalsContact CD2-CG1 3.43Å; F19-V67 HydrophobicContact CE1-CB 3.92Å; F19-V67 HydrophobicContact CE1-CG1 3.81Å; F19-V67 HydrophobicContact CE1-CG2 3.92Å; F19-V67 HydrophobicContact CE2-CG1 3.62Å; F19-V67 HydrophobicContact CG-CB 3.8Å; F19-V67 HydrophobicContact CG-CG1 3.43Å; F19-V67 VanDerWaalsContact CG-CG1 3.43Å; F19-V67 HydrophobicContact CZ-CB 4.39Å; F19-V67 HydrophobicContact CZ-CG1 3.79Å; F19-V67 HydrophobicContact CZ-CG2 4.38Å; F19-P68 HydrophobicContact CB-CG 3.78Å; F19-M71 HydrophobicContact CD2-CE 4.29Å; F19-M71 HydrophobicContact CE2-CE 3.91Å
20	L	98.6	Very high	97.1	Very high	4 Å²	4	67.2 Å²	67.2	2%	0.021	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125	173.7	-128	82.5	0	0	0	109.8	E9 Y11 R22 F33 D34	E9-L20 HydrophobicContact CB-CB 4.07Å; E9-L20 PolarHBondContact N-O 2.67Å; E9-L20 PolarHBondContact O-N 3.43Å; Y11-L20 HydrophobicContact CE2-CB 4.16Å; L20-R22 HydrophobicContact CD2-CG 4.43Å; L20-F33 CarbonylContact C-O 3.53Å; L20-F33 WeakPolarHBondContact CA-O 3.35Å; L20-D34 HydrophobicContact CD1-CB 3.65Å; L20-D34 VanDerWaalsContact CD1-OD1 3.27Å; L20-D34 WeakPolarHBondContact CD1-OD1 3.34Å; L20-D34 WeakPolarHBondContact CD1-OD2 3.34Å; L20-D34 HydrophobicContact CG-CB 4.49Å
21	E	98.7	Very high	97.1	Very high	13 Å²	13	64.7 Å²	64.7	6%	0.061	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.4	170.3	-165.7	163.5	-148.5	0	0	109.7	R7 Q8 F19 Y23 R32 F33 K64	R7-E21 CarbonylContact O-C 3.44Å; R7-E21 VanDerWaalsContact O-CA 3.26Å; R7-E21 WeakPolarHBondContact O-CA 3.36Å; Q8-E21 HydrophobicContact CG-CG 4.03Å; Q8-E21 PolarHBondContact NE2-OE1 2.81Å; F19-E21 HydrophobicContact CE1-CB 3.84Å; F19-E21 HydrophobicContact CZ-CB 3.71Å; F19-E21 HydrophobicContact CZ-CG 4.29Å; E21-Y23 HydrophobicContact CG-CE2 3.94Å; E21-R32 CarbonylContact O-C 3.58Å; E21-R32 WeakPolarHBondContact O-CA 3.47Å; E21-R32 WeakPolarHBondContact O-CB 3.09Å; E21-F33 HydrophobicContact CB-CB 4.23Å; E21-F33 PolarHBondContact N-O 2.97Å; E21-F33 PolarHBondContact O-N 3.29Å; E21-K64 VanDerWaalsContact CD-NZ 3.3Å; E21-K64 IonicContact OE1-NZ 3.24Å; E21-K64 PolarHBondContact OE1-NZ 3.14Å; E21-K64 VanDerWaalsContact OE1-NZ 3.13Å; E21-K64 VanDerWaalsContact OE2-CD 3.23Å; E21-K64 WeakPolarHBondContact OE2-CD 3.44Å; E21-K64 WeakPolarHBondContact OE2-CE 3.13Å; E21-K64 IonicContact OE2-NZ 3.2Å; E21-K64 PolarHBondContact OE2-NZ 3.14Å
22	R	98.7	Very high	97.2	Very high	47 Å²	47	62.7 Å²	62.7	18%	0.177	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.1	-177	-50.8	179.1	-176.5	-99.1	-1.5	110.6	G6 R7 E9 L20 I24 E29	G6-R22 WeakPolarHBondContact CA-O 3.4Å; R7-R22 HydrophobicContact CB-CB 4.15Å; R7-R22 HydrophobicContact CB-CG 4.35Å; R7-R22 PolarHBondContact N-O 2.8Å; R7-R22 PolarHBondContact O-N 3.19Å; E9-R22 VanDerWaalsContact CD-NE 3.28Å; E9-R22 WeakPolarHBondContact OE1-CD 3.29Å; E9-R22 IonicContact OE1-NE 3.16Å; E9-R22 PolarHBondContact OE1-NE 3.42Å; E9-R22 IonicContact OE2-CZ 3.57Å; E9-R22 IonicContact OE2-NE 3.18Å; E9-R22 PolarHBondContact OE2-NE 3.18Å; E9-R22 IonicContact OE2-NH2 2.92Å; E9-R22 PolarHBondContact OE2-NH2 3Å; E9-R22 VanDerWaalsContact OE2-NH2 3.15Å; L20-R22 HydrophobicContact CD2-CG 4.43Å; R22-I24 HydrophobicContact CB-CD1 4.2Å; R22-I24 HydrophobicContact CB-CG1 4.31Å; R22-E29 HydrophobicContact CB-CG 4.24Å; R22-E29 WeakPolarHBondContact CG-OE1 3.47Å; R22-E29 IonicContact CZ-OE2 3.62Å; R22-E29 IonicContact NH1-OE1 3.59Å; R22-E29 PolarHBondContact NH1-OE1 2.86Å; R22-E29 IonicContact NH1-OE2 3.54Å; R22-E29 PolarHBondContact NH1-OE2 2.97Å
23	Y	98.7	Very high	97.4	Very high	44 Å²	44	60.6 Å²	60.6	17%	0.173	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.8	172.9	-60.4	-95	0	0	0	109.2	F4 E21 E29 F30 A31 F40 W54	F4-Y23 HydrophobicContact CE1-CD1 4.36Å; F4-Y23 HydrophobicContact CZ-CD1 4.07Å; E21-Y23 HydrophobicContact CG-CE2 3.94Å; Y23-E29 WeakPolarHBondContact O-CA 2.99Å; Y23-F30 VanDerWaalsContact C-CE1 3.49Å; Y23-F30 VanDerWaalsContact CB-CZ 3.46Å; Y23-F30 HydrophobicContact CG-CZ 4.43Å; Y23-F30 WeakPolarHBondContact O-CD1 3.45Å; Y23-F30 WeakPolarHBondContact O-CE1 3.12Å; Y23-F30 PolarHBondContact O-N 2.83Å; Y23-A31 PolarHBondContact N-O 2.87Å; Y23-F40 HydrophobicContact CE2-CD1 4.44Å; Y23-F40 AromaticContact CE2-CE1 3.96Å; Y23-F40 HydrophobicContact CE2-CE1 3.96Å; Y23-W54 AromaticContact CD1-CH2 3.93Å; Y23-W54 HydrophobicContact CD1-CH2 3.93Å; Y23-W54 AromaticContact CD2-CH2 3.88Å; Y23-W54 HydrophobicContact CD2-CH2 3.88Å; Y23-W54 AromaticContact CD2-CZ3 3.7Å; Y23-W54 HydrophobicContact CD2-CZ3 3.7Å; Y23-W54 AromaticContact CE1-CH2 3.93Å; Y23-W54 HydrophobicContact CE1-CH2 3.93Å; Y23-W54 HydrophobicContact CE1-CZ3 4.5Å; Y23-W54 AromaticContact CE2-CH2 3.9Å; Y23-W54 HydrophobicContact CE2-CH2 3.9Å; Y23-W54 AromaticContact CE2-CZ3 3.64Å; Y23-W54 HydrophobicContact CE2-CZ3 3.64Å; Y23-W54 AromaticContact CG-CH2 3.9Å; Y23-W54 HydrophobicContact CG-CH2 3.9Å; Y23-W54 HydrophobicContact CG-CZ3 4.19Å; Y23-W54 AromaticContact CZ-CH2 3.9Å
24	I	98.8	Very high	97.6	Very high	22 Å²	22	54.6 Å²	54.6	11%	0.113	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	120.8	-167.6	-57.4	156.4	0	0	0	109.5	Q5 R7 R22 E28 E29	Q5-I24 HydrophobicContact CB-CB 4.22Å; Q5-I24 PolarHBondContact N-O 2.85Å; Q5-I24 PolarHBondContact O-N 2.87Å; R7-I24 HydrophobicContact CG-CD1 4.07Å; R22-I24 HydrophobicContact CB-CD1 4.2Å; R22-I24 HydrophobicContact CB-CG1 4.31Å; I24-E28 CarbonylContact C-O 3.55Å; I24-E28 WeakPolarHBondContact CA-O 3.48Å; I24-E29 HydrophobicContact CG1-CB 3.94Å; I24-E29 HydrophobicContact CG1-CG 4.06Å
25	Y	98.4	Very high	97.9	Very high	81 Å²	81	49.1 Å²	49.1	32%	0.318	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120	171.5	-176.2	-112.1	0	0	0	109.7	Y2 F4 R27 E28 L46	Y2-Y25 WeakPolarHBondContact CD1-OH 3.21Å; F4-Y25 HydrophobicContact CD2-CD2 4.27Å; Y25-R27 PolarHBondContact O-N 2.94Å; Y25-E28 PolarHBondContact N-O 3.14Å; Y25-E28 PolarHBondContact O-N 2.82Å; Y25-L46 HydrophobicContact CD1-CD2 4.47Å
26	N	97.6	Very high	98.3	Very high	58 Å²	58	51.1 Å²	51.1	31%	0.31	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-92.7	-166.6	-57.9	-50.9	0	0	0	112.1	L3	L3-N26 PolarHBondContact N-OD1 2.98Å; L3-N26 PolarHBondContact O-N 2.87Å
27	R	97.4	Very high	98.4	Very high	241 Å²	241	50.8 Å²	50.8	91%	0.909	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.9	6.7	175.2	-63.6	-177.8	66.9	-175.2	0.2	112.2	Y25	Y25-R27 PolarHBondContact O-N 2.94Å
28	E	98.4	Very high	98.5	Very high	93 Å²	93	50.2 Å²	50.2	44%	0.435	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	108.9	178.4	-173.3	-179.5	157.8	0	0	108.6	I24 Y25 F30 T44	I24-E28 CarbonylContact C-O 3.55Å; I24-E28 WeakPolarHBondContact CA-O 3.48Å; Y25-E28 PolarHBondContact N-O 3.14Å; Y25-E28 PolarHBondContact O-N 2.82Å; E28-F30 PolarHBondContact O-N 2.94Å; E28-T44 HydrophobicContact CG-CG2 3.82Å; E28-T44 WeakPolarHBondContact OE1-CB 3.22Å; E28-T44 WeakPolarHBondContact OE1-CG2 3.34Å; E28-T44 PolarHBondContact OE1-OG1 2.9Å
29	E	98.7	Very high	98.5	Very high	32 Å²	32	48.4 Å²	48.4	15%	0.15	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	116	167.1	-174.3	-178	170.4	0	0	108.2	R22 Y23 I24 R32 V43 T44	R22-E29 HydrophobicContact CB-CG 4.24Å; R22-E29 WeakPolarHBondContact CG-OE1 3.47Å; R22-E29 IonicContact CZ-OE2 3.62Å; R22-E29 IonicContact NH1-OE1 3.59Å; R22-E29 PolarHBondContact NH1-OE1 2.86Å; R22-E29 IonicContact NH1-OE2 3.54Å; R22-E29 PolarHBondContact NH1-OE2 2.97Å; Y23-E29 WeakPolarHBondContact O-CA 2.99Å; I24-E29 HydrophobicContact CG1-CB 3.94Å; I24-E29 HydrophobicContact CG1-CG 4.06Å; E29-R32 WeakPolarHBondContact OE1-CB 3.42Å; E29-R32 IonicContact OE1-CZ 2.65Å; E29-R32 IonicContact OE1-NE 3.23Å; E29-R32 PolarHBondContact OE1-NE 2.85Å; E29-R32 IonicContact OE1-NH2 2.89Å; E29-R32 PolarHBondContact OE1-NH2 3.03Å; E29-R32 IonicContact OE2-CZ 3.62Å; E29-R32 IonicContact OE2-NH2 2.64Å; E29-R32 PolarHBondContact OE2-NH2 3.38Å; E29-V43 HydrophobicContact CB-CG1 4.48Å; E29-V43 HydrophobicContact CG-CB 4.48Å; E29-V43 HydrophobicContact CG-CG2 4.17Å; E29-V43 VanDerWaalsContact O-CB 3.3Å; E29-V43 WeakPolarHBondContact O-CB 3.06Å; E29-V43 VanDerWaalsContact O-CG1 3.3Å; E29-V43 WeakPolarHBondContact O-CG1 3.48Å; E29-T44 WeakPolarHBondContact O-CG2 3.35Å
30	F	98.7	Very high	98.5	Very high	12 Å²	12	48.3 Å²	48.3	5%	0.053	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	-27.4	-173	66.6	-89.3	0	0	0	113.2	F4 Y23 E28 A42 V43 T44 L46 G47 D50	F4-F30 HydrophobicContact CD2-CE1 4.45Å; F4-F30 AromaticContact CE2-CE1 3.48Å; F4-F30 HydrophobicContact CE2-CE1 3.48Å; F4-F30 VanDerWaalsContact CE2-CE1 3.48Å; F4-F30 AromaticContact CE2-CZ 3.64Å; F4-F30 HydrophobicContact CE2-CZ 3.64Å; F4-F30 AromaticContact CZ-CE1 3.88Å; F4-F30 HydrophobicContact CZ-CE1 3.88Å; F4-F30 AromaticContact CZ-CZ 3.84Å; F4-F30 HydrophobicContact CZ-CZ 3.84Å; Y23-F30 VanDerWaalsContact C-CE1 3.49Å; Y23-F30 VanDerWaalsContact CB-CZ 3.46Å; Y23-F30 HydrophobicContact CG-CZ 4.43Å; Y23-F30 WeakPolarHBondContact O-CD1 3.45Å; Y23-F30 WeakPolarHBondContact O-CE1 3.12Å; Y23-F30 PolarHBondContact O-N 2.83Å; E28-F30 PolarHBondContact O-N 2.94Å; F30-A42 CarbonylContact O-C 3.52Å; F30-A42 WeakPolarHBondContact O-CA 2.98Å; F30-V43 PolarHBondContact O-N 2.77Å; F30-T44 WeakPolarHBondContact CA-OG1 3.44Å; F30-T44 PolarHBondContact O-N 2.97Å; F30-L46 HydrophobicContact CB-CB 3.95Å; F30-L46 HydrophobicContact CB-CD2 3.99Å; F30-L46 HydrophobicContact CB-CG 4.16Å; F30-L46 HydrophobicContact CD1-CD2 4.32Å; F30-L46 HydrophobicContact CD2-CG 4.44Å; F30-L46 HydrophobicContact CG-CD2 4.07Å; F30-L46 HydrophobicContact CG-CG 4.3Å; F30-G47 WeakPolarHBondContact O-CA 3.42Å; F30-D50 VanDerWaalsContact CE2-OD2 3.31Å; F30-D50 WeakPolarHBondContact CE2-OD2 3.35Å
31	A	98.7	Very high	98.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	151.5	176.2	0	0	0	0	0	110.9	Y23 R41 W54	Y23-A31 PolarHBondContact N-O 2.87Å; A31-R41 CarbonylContact C-O 3.46Å; A31-R41 WeakPolarHBondContact CA-O 3.41Å; A31-W54 HydrophobicContact CB-CZ3 3.89Å
32	R	98.8	Very high	98.5	Very high	71 Å²	71	54.3 Å²	54.3	27%	0.268	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	153.1	174	66.1	171.4	55.9	154.8	7	113.4	E21 E29 F40 R41 V43	E21-R32 CarbonylContact O-C 3.58Å; E21-R32 WeakPolarHBondContact O-CA 3.47Å; E21-R32 WeakPolarHBondContact O-CB 3.09Å; E29-R32 WeakPolarHBondContact OE1-CB 3.42Å; E29-R32 IonicContact OE1-CZ 2.65Å; E29-R32 IonicContact OE1-NE 3.23Å; E29-R32 PolarHBondContact OE1-NE 2.85Å; E29-R32 IonicContact OE1-NH2 2.89Å; E29-R32 PolarHBondContact OE1-NH2 3.03Å; E29-R32 IonicContact OE2-CZ 3.62Å; E29-R32 IonicContact OE2-NH2 2.64Å; E29-R32 PolarHBondContact OE2-NH2 3.38Å; R32-F40 CarbonylContact O-C 3.59Å; R32-F40 VanDerWaalsContact O-CA 3.23Å; R32-F40 WeakPolarHBondContact O-CA 3.2Å; R32-R41 PolarHBondContact N-O 2.84Å; R32-R41 PolarHBondContact O-N 2.79Å; R32-V43 HydrophobicContact CB-CG2 4.22Å; R32-V43 HydrophobicContact CG-CG2 3.72Å
33	F	98.8	Very high	98.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	136.5	158.6	-179.9	-88.4	0	0	0	109	F19 L20 E21 F40 L61 K64 R65	F19-F33 AromaticContact CD1-CD1 3.94Å; F19-F33 HydrophobicContact CD1-CD1 3.94Å; F19-F33 HydrophobicContact CD1-CE1 4.15Å; F19-F33 HydrophobicContact CE1-CD1 4.18Å; L20-F33 CarbonylContact C-O 3.53Å; L20-F33 WeakPolarHBondContact CA-O 3.35Å; E21-F33 HydrophobicContact CB-CB 4.23Å; E21-F33 PolarHBondContact N-O 2.97Å; E21-F33 PolarHBondContact O-N 3.29Å; F33-F40 HydrophobicContact CB-CD1 3.71Å; F33-F40 HydrophobicContact CB-CE1 3.68Å; F33-F40 HydrophobicContact CB-CG 4.27Å; F33-F40 HydrophobicContact CB-CZ 4.17Å; F33-F40 HydrophobicContact CD2-CD1 4.5Å; F33-F40 HydrophobicContact CD2-CD2 4.04Å; F33-F40 HydrophobicContact CD2-CE2 4.02Å; F33-F40 HydrophobicContact CD2-CG 4.3Å; F33-F40 HydrophobicContact CD2-CZ 4.27Å; F33-F40 HydrophobicContact CG-CE1 4.49Å; F33-L61 HydrophobicContact CE2-CD2 4.18Å; F33-K64 HydrophobicContact CD1-CB 3.88Å; F33-K64 HydrophobicContact CD2-CB 3.81Å; F33-K64 HydrophobicContact CD2-CG 4.36Å; F33-K64 HydrophobicContact CE1-CB 3.65Å; F33-K64 WeakPolarHBondContact CE1-O 3.48Å; F33-K64 HydrophobicContact CE2-CB 3.58Å; F33-K64 HydrophobicContact CG-CB 3.97Å; F33-K64 HydrophobicContact CG-CG 4.43Å; F33-K64 HydrophobicContact CZ-CB 3.5Å; F33-R65 HydrophobicContact CE2-CG 4.48Å; F33-R65 HydrophobicContact CZ-CG 3.96Å
34	D	98.7	Very high	98.5	Very high	13 Å²	13	54.9 Å²	54.9	7%	0.07	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.2	174.8	-175.3	-12.7	0	0	0	108.7	R18 L20 D36 V37 G38	R18-D34 IonicContact CZ-OD1 3.32Å; R18-D34 IonicContact CZ-OD2 2.7Å; R18-D34 IonicContact NE-OD1 2.65Å; R18-D34 PolarHBondContact NE-OD1 2.84Å; R18-D34 IonicContact NE-OD2 3.11Å; R18-D34 IonicContact NH2-OD1 3.15Å; R18-D34 IonicContact NH2-OD2 3.52Å; R18-D34 PolarHBondContact NH2-OD2 3.21Å; L20-D34 HydrophobicContact CD1-CB 3.65Å; L20-D34 VanDerWaalsContact CD1-OD1 3.27Å; L20-D34 WeakPolarHBondContact CD1-OD1 3.34Å; L20-D34 WeakPolarHBondContact CD1-OD2 3.34Å; L20-D34 HydrophobicContact CG-CB 4.49Å; D34-D36 PolarHBondContact O-N 3.15Å; D34-D36 PolarHBondContact OD1-N 3.36Å; D34-D36 VanDerWaalsContact OD1-N 3.08Å; D34-V37 HydrophobicContact CB-CB 4.18Å; D34-V37 HydrophobicContact CB-CG2 3.91Å; D34-V37 CarbonylContact O-C 3.58Å; D34-V37 PolarHBondContact O-N 2.83Å; D34-G38 PolarHBondContact O-N 3.04Å
35	S	98.5	Very high	98.4	Very high	27 Å²	27	59.7 Å²	59.7	19%	0.189	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.1	-178.2	62.5	0	0	0	0	113.2	R18 F19 V37	R18-S35 WeakPolarHBondContact CA-OG 3.23Å; R18-S35 WeakPolarHBondContact CG-OG 3.23Å; F19-S35 PolarHBondContact N-OG 2.03Å; F19-S35 PolarHBondContact O-N 2.97Å; F19-S35 PolarHBondContact O-OG 2.92Å; S35-V37 PolarHBondContact O-N 2.77Å
36	D	98.1	Very high	98.4	Very high	112 Å²	112	60.1 Å²	60.1	60%	0.599	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-24.9	176.9	-69.9	-2	0	0	0	111.7	R18 D34	R18-D36 WeakPolarHBondContact CD-OD2 3.41Å; R18-D36 IonicContact CZ-OD2 2.86Å; R18-D36 IonicContact NE-OD2 2.69Å; R18-D36 PolarHBondContact NE-OD2 2.94Å; R18-D36 IonicContact NH1-OD2 2.96Å; D34-D36 PolarHBondContact O-N 3.15Å; D34-D36 PolarHBondContact OD1-N 3.36Å; D34-D36 VanDerWaalsContact OD1-N 3.08Å
37	V	98.4	Very high	98.5	Very high	78 Å²	78	57.4 Å²	57.4	47%	0.473	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-36.9	175.7	-176.3	0	0	0	0	110.7	D34 S35 E39 R41	D34-V37 HydrophobicContact CB-CB 4.18Å; D34-V37 HydrophobicContact CB-CG2 3.91Å; D34-V37 CarbonylContact O-C 3.58Å; D34-V37 PolarHBondContact O-N 2.83Å; S35-V37 PolarHBondContact O-N 2.77Å; V37-E39 HydrophobicContact CG1-CG 3.97Å; V37-R41 HydrophobicContact CG1-CG 4.4Å
38	G	98.2	Very high	98.5	Very high	11 Å²	11	52.2 Å²	52.2	11%	0.113	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	11.7	176.1	0	0	0	0	0	115	D34 R65	D34-G38 PolarHBondContact O-N 3.04Å; G38-R65 VanDerWaalsContact O-CZ 3.23Å; G38-R65 PolarHBondContact O-NE 2.98Å; G38-R65 PolarHBondContact O-NH2 2.98Å
39	E	98.5	Very high	98.5	Very high	56 Å²	56	51.7 Å²	51.7	26%	0.262	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	168.4	178.8	60.2	-176.7	-170.5	0	0	111.3	V37 R41 N55 L61	V37-E39 HydrophobicContact CG1-CG 3.97Å; E39-R41 IonicContact OE1-CZ 3Å; E39-R41 IonicContact OE1-NE 3.67Å; E39-R41 PolarHBondContact OE1-NE 2.88Å; E39-R41 IonicContact OE1-NH2 2.85Å; E39-R41 PolarHBondContact OE1-NH2 2.85Å; E39-N55 WeakPolarHBondContact CB-OD1 3.09Å; E39-L61 HydrophobicContact CB-CD2 4.12Å
40	F	98.7	Very high	98.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	146.5	174.2	-65.7	-93	0	0	0	110.5	Y23 R32 F33 E51 W54 N55 L60 L61 K64	Y23-F40 HydrophobicContact CE2-CD1 4.44Å; Y23-F40 AromaticContact CE2-CE1 3.96Å; Y23-F40 HydrophobicContact CE2-CE1 3.96Å; R32-F40 CarbonylContact O-C 3.59Å; R32-F40 VanDerWaalsContact O-CA 3.23Å; R32-F40 WeakPolarHBondContact O-CA 3.2Å; F33-F40 HydrophobicContact CB-CD1 3.71Å; F33-F40 HydrophobicContact CB-CE1 3.68Å; F33-F40 HydrophobicContact CB-CG 4.27Å; F33-F40 HydrophobicContact CB-CZ 4.17Å; F33-F40 HydrophobicContact CD2-CD1 4.5Å; F33-F40 HydrophobicContact CD2-CD2 4.04Å; F33-F40 HydrophobicContact CD2-CE2 4.02Å; F33-F40 HydrophobicContact CD2-CG 4.3Å; F33-F40 HydrophobicContact CD2-CZ 4.27Å; F33-F40 HydrophobicContact CG-CE1 4.49Å; F40-E51 WeakPolarHBondContact O-CG 3.37Å; F40-W54 HydrophobicContact CB-CB 4.45Å; F40-W54 HydrophobicContact CB-CE3 4.26Å; F40-W54 HydrophobicContact CD1-CD2 4.28Å; F40-W54 AromaticContact CD1-CE3 3.32Å; F40-W54 HydrophobicContact CD1-CE3 3.32Å; F40-W54 AromaticContact CD1-CZ3 3.87Å; F40-W54 HydrophobicContact CD1-CZ3 3.87Å; F40-W54 HydrophobicContact CD2-CB 3.63Å; F40-W54 HydrophobicContact CD2-CE3 4.48Å; F40-W54 HydrophobicContact CE1-CD2 4.34Å; F40-W54 AromaticContact CE1-CE3 3.63Å; F40-W54 HydrophobicContact CE1-CE3 3.63Å; F40-W54 HydrophobicContact CE1-CZ3 4.1Å; F40-W54 HydrophobicContact CE2-CB 3.91Å; F40-W54 HydrophobicContact CG-CB 3.96Å; F40-W54 AromaticContact CG-CE3 3.78Å; F40-W54 HydrophobicContact CG-CE3 3.78Å; F40-W54 HydrophobicContact CZ-CB 4.44Å; F40-W54 HydrophobicContact CZ-CE3 4.35Å; F40-N55 WeakPolarHBondContact CB-OD1 3.33Å; F40-N55 PolarHBondContact N-OD1 3.45Å; F40-N55 PolarHBondContact O-ND2 3.39Å; F40-L60 HydrophobicContact CE2-CD2 3.83Å; F40-L60 HydrophobicContact CE2-CG 3.97Å; F40-L60 HydrophobicContact CZ-CD2 3.98Å; F40-L60 HydrophobicContact CZ-CG 4.15Å; F40-L61 HydrophobicContact CD2-CD2 3.95Å; F40-L61 HydrophobicContact CE2-CD2 4.16Å; F40-K64 HydrophobicContact CE2-CG 4.2Å; F40-K64 HydrophobicContact CZ-CG 3.82Å
41	R	98.7	Very high	98.5	Very high	114 Å²	114	53.7 Å²	53.7	43%	0.43	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	133	174.9	-69.1	-60.7	-172.9	170.4	-0.1	110.3	A31 R32 V37 E39 V43 E51	A31-R41 CarbonylContact C-O 3.46Å; A31-R41 WeakPolarHBondContact CA-O 3.41Å; R32-R41 PolarHBondContact N-O 2.84Å; R32-R41 PolarHBondContact O-N 2.79Å; V37-R41 HydrophobicContact CG1-CG 4.4Å; E39-R41 IonicContact OE1-CZ 3Å; E39-R41 IonicContact OE1-NE 3.67Å; E39-R41 PolarHBondContact OE1-NE 2.88Å; E39-R41 IonicContact OE1-NH2 2.85Å; E39-R41 PolarHBondContact OE1-NH2 2.85Å; R41-V43 PolarHBondContact O-N 2.95Å; R41-E51 WeakPolarHBondContact CD-OE1 3.4Å; R41-E51 IonicContact CZ-OE1 2.66Å; R41-E51 IonicContact NE-OE1 3.13Å; R41-E51 IonicContact NH1-OE1 2.93Å; R41-E51 PolarHBondContact NH1-OE1 2.89Å
42	A	98.6	Very high	98.5	Very high	28 Å²	28	60.9 Å²	60.9	23%	0.231	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	125.5	166.1	0	0	0	0	0	108.7	F30 G47 R48 E51	F30-A42 CarbonylContact O-C 3.52Å; F30-A42 WeakPolarHBondContact O-CA 2.98Å; A42-G47 VanDerWaalsContact CB-C 3.49Å; A42-R48 HydrophobicContact CB-CG 4.14Å; A42-E51 HydrophobicContact CB-CB 4.18Å; A42-E51 WeakPolarHBondContact CB-OE2 3.43Å; A42-E51 PolarHBondContact N-OE2 2.74Å
43	V	98.6	Very high	98.4	Very high	64 Å²	64	64.2 Å²	64.2	39%	0.388	32%	0.322	S	S	.	.	S	Bend	trans	-90	-30.8	173.9	-179.7	0	0	0	0	109.7	E29 F30 R32 R41	E29-V43 HydrophobicContact CB-CG1 4.48Å; E29-V43 HydrophobicContact CG-CB 4.48Å; E29-V43 HydrophobicContact CG-CG2 4.17Å; E29-V43 VanDerWaalsContact O-CB 3.3Å; E29-V43 WeakPolarHBondContact O-CB 3.06Å; E29-V43 VanDerWaalsContact O-CG1 3.3Å; E29-V43 WeakPolarHBondContact O-CG1 3.48Å; F30-V43 PolarHBondContact O-N 2.77Å; R32-V43 HydrophobicContact CB-CG2 4.22Å; R32-V43 HydrophobicContact CG-CG2 3.72Å; R41-V43 PolarHBondContact O-N 2.95Å
44	T	98.5	Very high	98.4	Very high	39 Å²	39	66.2 Å²	66.2	24%	0.239	33%	0.33	C	S	.	.	S	Bend	trans	-134.4	170.9	172.5	71.3	0	0	0	0	111	E28 E29 F30 L46 G47	E28-T44 HydrophobicContact CG-CG2 3.82Å; E28-T44 WeakPolarHBondContact OE1-CB 3.22Å; E28-T44 WeakPolarHBondContact OE1-CG2 3.34Å; E28-T44 PolarHBondContact OE1-OG1 2.9Å; E29-T44 WeakPolarHBondContact O-CG2 3.35Å; F30-T44 WeakPolarHBondContact CA-OG1 3.44Å; F30-T44 PolarHBondContact O-N 2.97Å; T44-L46 PolarHBondContact O-N 2.83Å; T44-L46 VanDerWaalsContact O-N 3.13Å; T44-G47 PolarHBondContact O-N 3.07Å
45	E	98	Very high	98.4	Very high	123 Å²	123	66.9 Å²	66.9	58%	0.575	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-51.9	-35.3	179.1	-66	-59.6	122.3	0	0	113.4	G47 R48	E45-G47 PolarHBondContact O-N 2.92Å; E45-R48 VanDerWaalsContact CD-CZ 3.44Å; E45-R48 VanDerWaalsContact CD-NE 3.33Å; E45-R48 PolarHBondContact O-N 2.91Å; E45-R48 IonicContact OE1-CZ 2.75Å; E45-R48 VanDerWaalsContact OE1-CZ 3.23Å; E45-R48 IonicContact OE1-NE 2.98Å; E45-R48 PolarHBondContact OE1-NE 2.99Å; E45-R48 IonicContact OE1-NH2 2.61Å; E45-R48 PolarHBondContact OE1-NH2 2.74Å; E45-R48 IonicContact OE2-CZ 3.78Å; E45-R48 IonicContact OE2-NE 3.94Å; E45-R48 PolarHBondContact OE2-NE 2.62Å; E45-R48 IonicContact OE2-NH1 2.85Å; E45-R48 IonicContact OE2-NH2 3.5Å; E45-R48 PolarHBondContact OE2-NH2 2.61Å
46	L	98.2	Very high	98.4	Very high	91 Å²	91	68.9 Å²	68.9	48%	0.476	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-59.4	-31.8	-179.1	-178.4	65.7	0	0	0	112.3	Y25 F30 T44 P49	Y25-L46 HydrophobicContact CD1-CD2 4.47Å; F30-L46 HydrophobicContact CB-CB 3.95Å; F30-L46 HydrophobicContact CB-CD2 3.99Å; F30-L46 HydrophobicContact CB-CG 4.16Å; F30-L46 HydrophobicContact CD1-CD2 4.32Å; F30-L46 HydrophobicContact CD2-CG 4.44Å; F30-L46 HydrophobicContact CG-CD2 4.07Å; F30-L46 HydrophobicContact CG-CG 4.3Å; T44-L46 PolarHBondContact O-N 2.83Å; T44-L46 VanDerWaalsContact O-N 3.13Å; L46-P49 WeakPolarHBondContact O-CD 3.43Å
47	G	98.6	Very high	98.4	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-90.2	-1.9	-177.2	0	0	0	0	0	115.9	F30 A42 T44 E45 P49 D50 E51	F30-G47 WeakPolarHBondContact O-CA 3.42Å; A42-G47 VanDerWaalsContact CB-C 3.49Å; T44-G47 PolarHBondContact O-N 3.07Å; E45-G47 PolarHBondContact O-N 2.92Å; G47-P49 VanDerWaalsContact C-CD 3.5Å; G47-D50 PolarHBondContact O-N 3.12Å; G47-D50 VanDerWaalsContact O-N 3.14Å; G47-E51 PolarHBondContact O-N 3.32Å
48	R	98.6	Very high	98.4	Very high	132 Å²	132	70 Å²	70	50%	0.498	34%	0.342	S	S	.	.	H	α-helix	trans	-56.3	-44.8	178.9	-69.6	-175.5	-178	-167.6	7.5	113.2	A42 E45 D50 E51 E52	A42-R48 HydrophobicContact CB-CG 4.14Å; E45-R48 VanDerWaalsContact CD-CZ 3.44Å; E45-R48 VanDerWaalsContact CD-NE 3.33Å; E45-R48 PolarHBondContact O-N 2.91Å; E45-R48 IonicContact OE1-CZ 2.75Å; E45-R48 VanDerWaalsContact OE1-CZ 3.23Å; E45-R48 IonicContact OE1-NE 2.98Å; E45-R48 PolarHBondContact OE1-NE 2.99Å; E45-R48 IonicContact OE1-NH2 2.61Å; E45-R48 PolarHBondContact OE1-NH2 2.74Å; E45-R48 IonicContact OE2-CZ 3.78Å; E45-R48 IonicContact OE2-NE 3.94Å; E45-R48 PolarHBondContact OE2-NE 2.62Å; E45-R48 IonicContact OE2-NH1 2.85Å; E45-R48 IonicContact OE2-NH2 3.5Å; E45-R48 PolarHBondContact OE2-NH2 2.61Å; R48-D50 VanDerWaalsContact C-N 3.28Å; R48-D50 PolarHBondContact O-N 3.19Å; R48-E51 PolarHBondContact O-N 2.93Å; R48-E52 PolarHBondContact O-N 3.38Å
49	P	98.6	Very high	98.4	Very high	83 Å²	83	76 Å²	76	54%	0.539	37%	0.371	S	S	.	.	H	α-helix	trans	-62.9	-36.6	177.4	-20.7	33.9	0	0	0	112.4	L46 G47 Y53	L46-P49 WeakPolarHBondContact O-CD 3.43Å; G47-P49 VanDerWaalsContact C-CD 3.5Å; P49-Y53 VanDerWaalsContact O-CB 3.31Å; P49-Y53 WeakPolarHBondContact O-CB 3.48Å; P49-Y53 PolarHBondContact O-N 3.33Å
50	D	98.4	Very high	98.4	Very high	47 Å²	47	75.4 Å²	75.4	25%	0.251	37%	0.37	S	S	.	.	H	α-helix	trans	-71.2	-40.5	179.7	-62.8	-57.3	0	0	0	111.8	F30 G47 R48 Y53 W54	F30-D50 VanDerWaalsContact CE2-OD2 3.31Å; F30-D50 WeakPolarHBondContact CE2-OD2 3.35Å; G47-D50 PolarHBondContact O-N 3.12Å; G47-D50 VanDerWaalsContact O-N 3.14Å; R48-D50 VanDerWaalsContact C-N 3.28Å; R48-D50 PolarHBondContact O-N 3.19Å; D50-Y53 PolarHBondContact O-N 2.97Å; D50-W54 HydrophobicContact CB-CD2 4.01Å; D50-W54 HydrophobicContact CB-CE3 3.92Å; D50-W54 HydrophobicContact CB-CH2 3.86Å; D50-W54 HydrophobicContact CB-CZ2 3.9Å; D50-W54 HydrophobicContact CB-CZ3 3.87Å; D50-W54 WeakPolarHBondContact O-CB 3.39Å; D50-W54 PolarHBondContact O-N 2.83Å
51	E	98.6	Very high	98.4	Very high	38 Å²	38	75.5 Å²	75.5	18%	0.178	37%	0.37	C	S	.	.	H	α-helix	trans	-56.6	-52.1	173.2	174	173.9	-179	0	0	111.1	F40 R41 A42 G47 R48 N55	F40-E51 WeakPolarHBondContact O-CG 3.37Å; R41-E51 WeakPolarHBondContact CD-OE1 3.4Å; R41-E51 IonicContact CZ-OE1 2.66Å; R41-E51 IonicContact NE-OE1 3.13Å; R41-E51 IonicContact NH1-OE1 2.93Å; R41-E51 PolarHBondContact NH1-OE1 2.89Å; A42-E51 HydrophobicContact CB-CB 4.18Å; A42-E51 WeakPolarHBondContact CB-OE2 3.43Å; A42-E51 PolarHBondContact N-OE2 2.74Å; G47-E51 PolarHBondContact O-N 3.32Å; R48-E51 PolarHBondContact O-N 2.93Å; E51-N55 VanDerWaalsContact O-CB 3.23Å; E51-N55 WeakPolarHBondContact O-CB 3.44Å; E51-N55 VanDerWaalsContact O-CG 3.23Å; E51-N55 PolarHBondContact O-N 2.87Å; E51-N55 VanDerWaalsContact O-N 3.08Å; E51-N55 PolarHBondContact O-ND2 3.45Å; E51-N55 VanDerWaalsContact O-ND2 3.15Å
52	E	97.9	Very high	98.4	Very high	151 Å²	151	76.8 Å²	76.8	71%	0.706	38%	0.381	S	S	*	.	H	α-helix	trans	-61.1	-48.9	-179.7	-70.2	178.9	-172.9	0	0	111.5	R48 S56	R48-E52 PolarHBondContact O-N 3.38Å; E52-S56 PolarHBondContact O-N 2.97Å
53	Y	98.4	Very high	98.3	Very high	141 Å²	141	80.7 Å²	80.7	55%	0.553	40%	0.395	S	S	*	.	H	α-helix	trans	-67.4	-50.1	-177.5	180	-111.7	0	0	0	112	P49 D50 N55 S56 Q57	P49-Y53 VanDerWaalsContact O-CB 3.31Å; P49-Y53 WeakPolarHBondContact O-CB 3.48Å; P49-Y53 PolarHBondContact O-N 3.33Å; D50-Y53 PolarHBondContact O-N 2.97Å; Y53-N55 PolarHBondContact O-N 3.21Å; Y53-S56 WeakPolarHBondContact O-CB 3.41Å; Y53-S56 PolarHBondContact O-N 2.95Å; Y53-S56 VanDerWaalsContact O-N 3.16Å; Y53-S56 PolarHBondContact O-OG 3.49Å; Y53-Q57 VanDerWaalsContact CE2-NE2 3.32Å; Y53-Q57 PolarHBondContact OH-NE2 3.04Å
54	W	98.6	Very high	98.3	Very high	43 Å²	43	78.5 Å²	78.5	16%	0.163	38%	0.38	C	S	.	.	H	α-helix	trans	-68	-34.5	-176.3	-63	-21.4	0	0	0	112.6	Y23 A31 F40 D50 S56 Q57 L60	Y23-W54 AromaticContact CD1-CH2 3.93Å; Y23-W54 HydrophobicContact CD1-CH2 3.93Å; Y23-W54 AromaticContact CD2-CH2 3.88Å; Y23-W54 HydrophobicContact CD2-CH2 3.88Å; Y23-W54 AromaticContact CD2-CZ3 3.7Å; Y23-W54 HydrophobicContact CD2-CZ3 3.7Å; Y23-W54 AromaticContact CE1-CH2 3.93Å; Y23-W54 HydrophobicContact CE1-CH2 3.93Å; Y23-W54 HydrophobicContact CE1-CZ3 4.5Å; Y23-W54 AromaticContact CE2-CH2 3.9Å; Y23-W54 HydrophobicContact CE2-CH2 3.9Å; Y23-W54 AromaticContact CE2-CZ3 3.64Å; Y23-W54 HydrophobicContact CE2-CZ3 3.64Å; Y23-W54 AromaticContact CG-CH2 3.9Å; Y23-W54 HydrophobicContact CG-CH2 3.9Å; Y23-W54 HydrophobicContact CG-CZ3 4.19Å; Y23-W54 AromaticContact CZ-CH2 3.9Å; A31-W54 HydrophobicContact CB-CZ3 3.89Å; F40-W54 HydrophobicContact CB-CB 4.45Å; F40-W54 HydrophobicContact CB-CE3 4.26Å; F40-W54 HydrophobicContact CD1-CD2 4.28Å; F40-W54 AromaticContact CD1-CE3 3.32Å; F40-W54 HydrophobicContact CD1-CE3 3.32Å; F40-W54 AromaticContact CD1-CZ3 3.87Å; F40-W54 HydrophobicContact CD1-CZ3 3.87Å; F40-W54 HydrophobicContact CD2-CB 3.63Å; F40-W54 HydrophobicContact CD2-CE3 4.48Å; F40-W54 HydrophobicContact CE1-CD2 4.34Å; F40-W54 AromaticContact CE1-CE3 3.63Å; F40-W54 HydrophobicContact CE1-CE3 3.63Å; F40-W54 HydrophobicContact CE1-CZ3 4.1Å; F40-W54 HydrophobicContact CE2-CB 3.91Å; F40-W54 HydrophobicContact CG-CB 3.96Å; F40-W54 AromaticContact CG-CE3 3.78Å; F40-W54 HydrophobicContact CG-CE3 3.78Å; F40-W54 HydrophobicContact CZ-CB 4.44Å; F40-W54 HydrophobicContact CZ-CE3 4.35Å; D50-W54 HydrophobicContact CB-CD2 4.01Å; D50-W54 HydrophobicContact CB-CE3 3.92Å; D50-W54 HydrophobicContact CB-CH2 3.86Å; D50-W54 HydrophobicContact CB-CZ2 3.9Å; D50-W54 HydrophobicContact CB-CZ3 3.87Å; D50-W54 WeakPolarHBondContact O-CB 3.39Å; D50-W54 PolarHBondContact O-N 2.83Å; W54-S56 PolarHBondContact O-N 2.81Å; W54-Q57 WeakPolarHBondContact O-CB 3.26Å; W54-Q57 PolarHBondContact O-N 3.15Å; W54-Q57 VanDerWaalsContact O-N 3.15Å; W54-L60 HydrophobicContact CB-CD2 3.91Å; W54-L60 HydrophobicContact CG-CD2 4.08Å
55	N	98.6	Very high	98.3	Very high	26 Å²	26	82.9 Å²	82.9	14%	0.139	39%	0.392	C	S	.	.	H	α-helix	trans	-72.1	-17.8	175.9	-70.1	-25.3	0	0	0	113.7	E39 F40 E51 Y53 Q57 K58 L61	E39-N55 WeakPolarHBondContact CB-OD1 3.09Å; F40-N55 WeakPolarHBondContact CB-OD1 3.33Å; F40-N55 PolarHBondContact N-OD1 3.45Å; F40-N55 PolarHBondContact O-ND2 3.39Å; E51-N55 VanDerWaalsContact O-CB 3.23Å; E51-N55 WeakPolarHBondContact O-CB 3.44Å; E51-N55 VanDerWaalsContact O-CG 3.23Å; E51-N55 PolarHBondContact O-N 2.87Å; E51-N55 VanDerWaalsContact O-N 3.08Å; E51-N55 PolarHBondContact O-ND2 3.45Å; E51-N55 VanDerWaalsContact O-ND2 3.15Å; Y53-N55 PolarHBondContact O-N 3.21Å; N55-Q57 VanDerWaalsContact C-N 3.32Å; N55-K58 PolarHBondContact O-NZ 2.97Å; N55-L61 WeakPolarHBondContact O-CD1 3.48Å
56	S	98.2	Very high	98.3	Very high	70 Å²	70	78.6 Å²	78.6	49%	0.49	38%	0.378	S	S	.	.	H	α-helix	trans	-75.1	-22.8	171.4	80.5	0	0	0	0	112.7	E52 Y53 W54 K58	E52-S56 PolarHBondContact O-N 2.97Å; Y53-S56 WeakPolarHBondContact O-CB 3.41Å; Y53-S56 PolarHBondContact O-N 2.95Å; Y53-S56 VanDerWaalsContact O-N 3.16Å; Y53-S56 PolarHBondContact O-OG 3.49Å; W54-S56 PolarHBondContact O-N 2.81Å; S56-K58 PolarHBondContact O-N 2.67Å
57	Q	98.5	Very high	98.4	Very high	74 Å²	74	75 Å²	75	35%	0.346	36%	0.359	S	S	.	.			trans	-85.4	98.7	-179.9	-55.8	-63.7	-19.1	0	0	111	Y53 W54 N55 L60 L61	Y53-Q57 VanDerWaalsContact CE2-NE2 3.32Å; Y53-Q57 PolarHBondContact OH-NE2 3.04Å; W54-Q57 WeakPolarHBondContact O-CB 3.26Å; W54-Q57 PolarHBondContact O-N 3.15Å; W54-Q57 VanDerWaalsContact O-N 3.15Å; N55-Q57 VanDerWaalsContact C-N 3.32Å; Q57-L60 HydrophobicContact CB-CB 3.86Å; Q57-L60 HydrophobicContact CB-CD2 4.45Å; Q57-L60 PolarHBondContact O-N 2.75Å; Q57-L61 PolarHBondContact O-N 3.13Å; Q57-L61 VanDerWaalsContact O-N 3.16Å
58	K	97.8	Very high	98.4	Very high	140 Å²	140	75.5 Å²	75.5	61%	0.609	36%	0.363	S	S	*	.	H	α-helix	trans	-66.4	-39.5	-175.8	-61.1	-52.2	178	-160.4	0	113.8	N55 S56 L60 L61 E62	N55-K58 PolarHBondContact O-NZ 2.97Å; S56-K58 PolarHBondContact O-N 2.67Å; K58-L60 VanDerWaalsContact C-N 3.29Å; K58-L60 PolarHBondContact O-N 3.36Å; K58-L61 HydrophobicContact CD-CD1 4.47Å; K58-L61 PolarHBondContact O-N 2.91Å; K58-E62 PolarHBondContact O-N 2.97Å
59	D	98.3	Very high	98.3	Very high	135 Å²	135	73.8 Å²	73.8	72%	0.722	36%	0.363	S	S	*	.	H	α-helix	trans	-62.3	-39.9	178.5	-56.3	-16.4	0	0	0	111.3	E62 E63	D59-E62 PolarHBondContact O-N 3.33Å; D59-E63 WeakPolarHBondContact O-CB 3.3Å; D59-E63 PolarHBondContact O-N 2.75Å
60	L	98	Very high	98.2	Very high	44 Å²	44	78.5 Å²	78.5	23%	0.23	37%	0.371	C	S	.	.	H	α-helix	trans	-64.9	-46.4	176.2	179.8	64.3	0	0	0	111.3	F40 W54 Q57 K58 E62 E63 K64	F40-L60 HydrophobicContact CE2-CD2 3.83Å; F40-L60 HydrophobicContact CE2-CG 3.97Å; F40-L60 HydrophobicContact CZ-CD2 3.98Å; F40-L60 HydrophobicContact CZ-CG 4.15Å; W54-L60 HydrophobicContact CB-CD2 3.91Å; W54-L60 HydrophobicContact CG-CD2 4.08Å; Q57-L60 HydrophobicContact CB-CB 3.86Å; Q57-L60 HydrophobicContact CB-CD2 4.45Å; Q57-L60 PolarHBondContact O-N 2.75Å; K58-L60 VanDerWaalsContact C-N 3.29Å; K58-L60 PolarHBondContact O-N 3.36Å; L60-E62 VanDerWaalsContact C-N 3.33Å; L60-E62 PolarHBondContact O-N 2.72Å; L60-E63 PolarHBondContact O-N 2.85Å; L60-K64 HydrophobicContact CD1-CG 4.29Å; L60-K64 WeakPolarHBondContact O-CG 3.18Å; L60-K64 PolarHBondContact O-N 2.84Å
61	L	98.3	Very high	98.2	Very high	3 Å²	3	79.3 Å²	79.3	2%	0.016	37%	0.373	C	S	.	.	H	α-helix	trans	-61.3	-42.5	177.7	-78	177.5	0	0	0	112	F33 E39 F40 N55 Q57 K58 K64 R65	F33-L61 HydrophobicContact CE2-CD2 4.18Å; E39-L61 HydrophobicContact CB-CD2 4.12Å; F40-L61 HydrophobicContact CD2-CD2 3.95Å; F40-L61 HydrophobicContact CE2-CD2 4.16Å; N55-L61 WeakPolarHBondContact O-CD1 3.48Å; Q57-L61 PolarHBondContact O-N 3.13Å; Q57-L61 VanDerWaalsContact O-N 3.16Å; K58-L61 HydrophobicContact CD-CD1 4.47Å; K58-L61 PolarHBondContact O-N 2.91Å; L61-K64 PolarHBondContact O-N 3.24Å; L61-R65 WeakPolarHBondContact O-CB 3.3Å; L61-R65 WeakPolarHBondContact O-CD 3.5Å; L61-R65 WeakPolarHBondContact O-CG 3.42Å; L61-R65 PolarHBondContact O-N 3.4Å
62	E	98.3	Very high	98.1	Very high	140 Å²	140	77.6 Å²	77.6	65%	0.654	37%	0.366	S	S	*	.	H	α-helix	trans	-62.3	-44.5	176.4	-172.3	175.8	174.7	0	0	111.3	K58 D59 L60 K64 R65 A66	K58-E62 PolarHBondContact O-N 2.97Å; D59-E62 PolarHBondContact O-N 3.33Å; L60-E62 VanDerWaalsContact C-N 3.33Å; L60-E62 PolarHBondContact O-N 2.72Å; E62-K64 PolarHBondContact O-N 2.92Å; E62-R65 PolarHBondContact O-N 3.24Å; E62-A66 PolarHBondContact O-N 2.65Å; E62-A66 VanDerWaalsContact O-N 3.1Å
63	E	98.3	Very high	98	Very high	110 Å²	110	74.1 Å²	74.1	51%	0.514	35%	0.346	S	S	.	.	H	α-helix	trans	-57	-50.9	175.1	-171.3	-164.8	148.6	0	0	111.3	D59 L60 R65 A66 V67	D59-E63 WeakPolarHBondContact O-CB 3.3Å; D59-E63 PolarHBondContact O-N 2.75Å; L60-E63 PolarHBondContact O-N 2.85Å; E63-R65 PolarHBondContact O-N 3.29Å; E63-A66 PolarHBondContact O-N 2.92Å; E63-A66 VanDerWaalsContact O-N 3.15Å; E63-V67 WeakPolarHBondContact O-CG2 3.22Å; E63-V67 PolarHBondContact O-N 2.83Å
64	K	98.3	Very high	97.9	Very high	18 Å²	18	72.6 Å²	72.6	8%	0.078	34%	0.344	C	S	.	.	H	α-helix	trans	-65.6	-38.4	-178.1	-63.2	-54.2	176.8	177.6	0	112.9	F19 E21 F33 F40 L60 L61 E62 A66 V67	F19-K64 HydrophobicContact CE1-CD 4.35Å; E21-K64 VanDerWaalsContact CD-NZ 3.3Å; E21-K64 IonicContact OE1-NZ 3.24Å; E21-K64 PolarHBondContact OE1-NZ 3.14Å; E21-K64 VanDerWaalsContact OE1-NZ 3.13Å; E21-K64 VanDerWaalsContact OE2-CD 3.23Å; E21-K64 WeakPolarHBondContact OE2-CD 3.44Å; E21-K64 WeakPolarHBondContact OE2-CE 3.13Å; E21-K64 IonicContact OE2-NZ 3.2Å; E21-K64 PolarHBondContact OE2-NZ 3.14Å; F33-K64 HydrophobicContact CD1-CB 3.88Å; F33-K64 HydrophobicContact CD2-CB 3.81Å; F33-K64 HydrophobicContact CD2-CG 4.36Å; F33-K64 HydrophobicContact CE1-CB 3.65Å; F33-K64 WeakPolarHBondContact CE1-O 3.48Å; F33-K64 HydrophobicContact CE2-CB 3.58Å; F33-K64 HydrophobicContact CG-CB 3.97Å; F33-K64 HydrophobicContact CG-CG 4.43Å; F33-K64 HydrophobicContact CZ-CB 3.5Å; F40-K64 HydrophobicContact CE2-CG 4.2Å; F40-K64 HydrophobicContact CZ-CG 3.82Å; L60-K64 HydrophobicContact CD1-CG 4.29Å; L60-K64 WeakPolarHBondContact O-CG 3.18Å; L60-K64 PolarHBondContact O-N 2.84Å; L61-K64 PolarHBondContact O-N 3.24Å; E62-K64 PolarHBondContact O-N 2.92Å; K64-A66 PolarHBondContact O-N 3.18Å; K64-V67 HydrophobicContact CD-CG2 4.5Å; K64-V67 WeakPolarHBondContact O-CB 3.35Å; K64-V67 WeakPolarHBondContact O-CG2 3.49Å; K64-V67 PolarHBondContact O-N 2.87Å
65	R	98.5	Very high	97.7	Very high	131 Å²	131	74.1 Å²	74.1	49%	0.494	36%	0.355	S	S	.	.	H	α-helix	trans	-63.8	-28.5	174.5	-73.4	166.8	-177.2	177.3	-1.7	112.7	F33 G38 L61 E62 E63 P68	F33-R65 HydrophobicContact CE2-CG 4.48Å; F33-R65 HydrophobicContact CZ-CG 3.96Å; G38-R65 VanDerWaalsContact O-CZ 3.23Å; G38-R65 PolarHBondContact O-NE 2.98Å; G38-R65 PolarHBondContact O-NH2 2.98Å; L61-R65 WeakPolarHBondContact O-CB 3.3Å; L61-R65 WeakPolarHBondContact O-CD 3.5Å; L61-R65 WeakPolarHBondContact O-CG 3.42Å; L61-R65 PolarHBondContact O-N 3.4Å; E62-R65 PolarHBondContact O-N 3.24Å; E63-R65 PolarHBondContact O-N 3.29Å; R65-P68 WeakPolarHBondContact O-CD 3.3Å
66	A	98.4	Very high	97.5	Very high	33 Å²	33	77.9 Å²	77.9	27%	0.273	37%	0.368	S	S	.	.	H	α-helix	trans	-82.1	-13.7	177.7	0	0	0	0	0	113.9	E62 E63 K64 P68 D69 R70	E62-A66 PolarHBondContact O-N 2.65Å; E62-A66 VanDerWaalsContact O-N 3.1Å; E63-A66 PolarHBondContact O-N 2.92Å; E63-A66 VanDerWaalsContact O-N 3.15Å; K64-A66 PolarHBondContact O-N 3.18Å; A66-P68 VanDerWaalsContact C-CD 3.47Å; A66-D69 PolarHBondContact O-N 3.14Å; A66-R70 HydrophobicContact CB-CG 4.35Å; A66-R70 WeakPolarHBondContact O-CB 3.46Å; A66-R70 WeakPolarHBondContact O-CG 3.33Å; A66-R70 PolarHBondContact O-N 3.18Å
67	V	98.6	Very high	97.3	Very high	15 Å²	15	80.4 Å²	80.4	9%	0.091	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-41.5	-175.7	179.5	0	0	0	0	114.2	F19 E63 K64 D69 R70 M71 C72	F19-V67 HydrophobicContact CB-CB 4.31Å; F19-V67 HydrophobicContact CB-CG1 4.13Å; F19-V67 HydrophobicContact CD1-CB 3.6Å; F19-V67 HydrophobicContact CD1-CG1 3.64Å; F19-V67 HydrophobicContact CD1-CG2 4.09Å; F19-V67 HydrophobicContact CD2-CB 4.3Å; F19-V67 HydrophobicContact CD2-CG1 3.43Å; F19-V67 VanDerWaalsContact CD2-CG1 3.43Å; F19-V67 HydrophobicContact CE1-CB 3.92Å; F19-V67 HydrophobicContact CE1-CG1 3.81Å; F19-V67 HydrophobicContact CE1-CG2 3.92Å; F19-V67 HydrophobicContact CE2-CG1 3.62Å; F19-V67 HydrophobicContact CG-CB 3.8Å; F19-V67 HydrophobicContact CG-CG1 3.43Å; F19-V67 VanDerWaalsContact CG-CG1 3.43Å; F19-V67 HydrophobicContact CZ-CB 4.39Å; F19-V67 HydrophobicContact CZ-CG1 3.79Å; F19-V67 HydrophobicContact CZ-CG2 4.38Å; E63-V67 WeakPolarHBondContact O-CG2 3.22Å; E63-V67 PolarHBondContact O-N 2.83Å; K64-V67 HydrophobicContact CD-CG2 4.5Å; K64-V67 WeakPolarHBondContact O-CB 3.35Å; K64-V67 WeakPolarHBondContact O-CG2 3.49Å; K64-V67 PolarHBondContact O-N 2.87Å; V67-D69 VanDerWaalsContact C-N 3.34Å; V67-D69 PolarHBondContact O-N 3.04Å; V67-R70 CarbonylContact O-C 3.58Å; V67-R70 PolarHBondContact O-N 3.28Å; V67-M71 HydrophobicContact CG1-CB 4.1Å; V67-M71 HydrophobicContact CG1-CE 3.67Å; V67-M71 PolarHBondContact O-N 3.26Å; V67-M71 VanDerWaalsContact O-N 3.07Å; V67-C72 PolarHBondContact O-N 3.22Å; V67-C72 VanDerWaalsContact O-N 3.1Å
68	P	98.5	Very high	97	Very high	11 Å²	11	82.1 Å²	82.1	7%	0.071	38%	0.383	C	S	.	.	I	π-helix	trans	-54.6	-46.9	177.2	-26.6	34.6	0	0	0	113.5	Q17 F19 R65 A66 C72 R73	Q17-P68 HydrophobicContact CB-CB 3.98Å; F19-P68 HydrophobicContact CB-CG 3.78Å; R65-P68 WeakPolarHBondContact O-CD 3.3Å; A66-P68 VanDerWaalsContact C-CD 3.47Å; P68-C72 WeakPolarHBondContact O-CB 3.35Å; P68-R73 WeakPolarHBondContact O-CB 3.41Å; P68-R73 PolarHBondContact O-N 2.91Å
69	D	97.6	Very high	96.5	Very high	96 Å²	96	78.1 Å²	78.1	51%	0.513	37%	0.371	S	S	.	.	I	π-helix	trans	-83.2	-21.4	-176.5	-69	-33.4	0	0	0	113.1	A66 V67 R73	A66-D69 PolarHBondContact O-N 3.14Å; V67-D69 VanDerWaalsContact C-N 3.34Å; V67-D69 PolarHBondContact O-N 3.04Å; D69-R73 VanDerWaalsContact CG-NH1 3.31Å; D69-R73 IonicContact OD1-CZ 3.03Å; D69-R73 IonicContact OD1-NH1 3.81Å; D69-R73 PolarHBondContact OD1-NH1 2.96Å; D69-R73 IonicContact OD1-NH2 2.66Å; D69-R73 PolarHBondContact OD1-NH2 2.8Å
70	R	96.8	Very high	95.8	Very high	183 Å²	183	72 Å²	72	69%	0.691	34%	0.339	S	S	*	.	I	π-helix	trans	-92.6	-93.4	176.6	-61.9	-173.8	78.4	-160.2	3.8	110.3	A66 V67 C72 H74	A66-R70 HydrophobicContact CB-CG 4.35Å; A66-R70 WeakPolarHBondContact O-CB 3.46Å; A66-R70 WeakPolarHBondContact O-CG 3.33Å; A66-R70 PolarHBondContact O-N 3.18Å; V67-R70 CarbonylContact O-C 3.58Å; V67-R70 PolarHBondContact O-N 3.28Å; R70-C72 PolarHBondContact O-N 2.86Å; R70-H74 WeakPolarHBondContact O-CB 3.1Å; R70-H74 PolarHBondContact O-N 3Å
71	M	97	Very high	95.2	Very high	63 Å²	63	74.4 Å²	74.4	31%	0.31	36%	0.357	S	S	.	.	I	π-helix	trans	-61.4	-47.4	-170.6	-177.3	-168.7	76.7	0	0	112.7	F19 V67 N75	F19-M71 HydrophobicContact CD2-CE 4.29Å; F19-M71 HydrophobicContact CE2-CE 3.91Å; V67-M71 HydrophobicContact CG1-CB 4.1Å; V67-M71 HydrophobicContact CG1-CE 3.67Å; V67-M71 PolarHBondContact O-N 3.26Å; V67-M71 VanDerWaalsContact O-N 3.07Å; M71-N75 VanDerWaalsContact O-CB 3.32Å; M71-N75 WeakPolarHBondContact O-CB 3.36Å; M71-N75 PolarHBondContact O-N 3.42Å; M71-N75 PolarHBondContact O-ND2 2.9Å
72	C	97.4	Very high	94.5	Very high	3 Å²	3	80.8 Å²	80.8	2%	0.02	39%	0.389	C	S	.	.	I	π-helix	trans	-65.1	-53.4	-174.7	-65.8	0	0	0	0	111.3	C10 Q17 V67 P68 R70 N75 Y76	C10-C72 HydrophobicContact CB-CB 3.57Å; C10-C72 WeakPolarHBondContact CB-SG 3.14Å; C10-C72 WeakPolarHBondContact SG-CA 3.43Å; C10-C72 WeakPolarHBondContact SG-CB 3.42Å; C10-C72 CovalentContact SG-SG 2.04Å; C10-C72 PolarHBondContact SG-SG 3.28Å; Q17-C72 HydrophobicContact CB-CB 4.14Å; Q17-C72 HydrophobicContact CG-CB 4.21Å; V67-C72 PolarHBondContact O-N 3.22Å; V67-C72 VanDerWaalsContact O-N 3.1Å; P68-C72 WeakPolarHBondContact O-CB 3.35Å; R70-C72 PolarHBondContact O-N 2.86Å; C72-N75 PolarHBondContact O-N 2.7Å; C72-Y76 VanDerWaalsContact O-CB 3.3Å; C72-Y76 WeakPolarHBondContact O-CB 3.46Å; C72-Y76 PolarHBondContact O-N 3.32Å
73	R	96.7	Very high	93.9	Very high	78 Å²	78	75.9 Å²	75.9	29%	0.294	37%	0.368	S	S	.	.	H	α-helix	trans	-60.8	-48.1	176.7	-176.3	175.1	-65.6	127.3	8.9	112.1	Q17 P68 D69 N75 Y76 E77	Q17-R73 HydrophobicContact CG-CB 4.23Å; P68-R73 WeakPolarHBondContact O-CB 3.41Å; P68-R73 PolarHBondContact O-N 2.91Å; D69-R73 VanDerWaalsContact CG-NH1 3.31Å; D69-R73 IonicContact OD1-CZ 3.03Å; D69-R73 IonicContact OD1-NH1 3.81Å; D69-R73 PolarHBondContact OD1-NH1 2.96Å; D69-R73 IonicContact OD1-NH2 2.66Å; D69-R73 PolarHBondContact OD1-NH2 2.8Å; R73-N75 VanDerWaalsContact C-N 3.33Å; R73-N75 PolarHBondContact O-N 3.15Å; R73-Y76 PolarHBondContact O-N 2.91Å; R73-E77 VanDerWaalsContact CD-OE1 3.29Å; R73-E77 WeakPolarHBondContact CD-OE1 3.37Å; R73-E77 HydrophobicContact CG-CG 4.16Å; R73-E77 WeakPolarHBondContact CG-OE1 3.48Å; R73-E77 WeakPolarHBondContact O-CB 3.45Å; R73-E77 WeakPolarHBondContact O-CG 3.48Å; R73-E77 PolarHBondContact O-N 2.86Å
74	H	95.6	Very high	93.4	Very high	109 Å²	109	74.7 Å²	74.7	51%	0.505	37%	0.365	S	S	.	.	H	α-helix	trans	-53.4	-49.9	178.3	170.9	-91	0	0	0	111.7	R70 E77 L78	R70-H74 WeakPolarHBondContact O-CB 3.1Å; R70-H74 PolarHBondContact O-N 3Å; H74-E77 PolarHBondContact O-N 2.78Å; H74-L78 WeakPolarHBondContact O-CB 3.35Å; H74-L78 PolarHBondContact O-N 2.83Å
75	N	94.8	Very high	93	Very high	75 Å²	75	79 Å²	79	40%	0.401	39%	0.386	S	S	.	.	H	α-helix	trans	-68.9	-38.9	-178.8	-69	-13.3	0	0	0	111.9	M71 C72 R73 V79	M71-N75 VanDerWaalsContact O-CB 3.32Å; M71-N75 WeakPolarHBondContact O-CB 3.36Å; M71-N75 PolarHBondContact O-N 3.42Å; M71-N75 PolarHBondContact O-ND2 2.9Å; C72-N75 PolarHBondContact O-N 2.7Å; R73-N75 VanDerWaalsContact C-N 3.33Å; R73-N75 PolarHBondContact O-N 3.15Å; N75-V79 WeakPolarHBondContact O-CB 3.49Å; N75-V79 WeakPolarHBondContact O-CG2 3.31Å; N75-V79 PolarHBondContact O-N 2.59Å
76	Y	94.1	Very high	92.8	Very high	104 Å²	104	76.3 Å²	76.3	41%	0.408	38%	0.375	S	S	.	.	H	α-helix	trans	-61.8	-43	176.2	-176.3	-92.4	0	0	0	111.8	A12 C72 R73 G80 L84	A12-Y76 HydrophobicContact CB-CD2 3.52Å; A12-Y76 HydrophobicContact CB-CE2 3.36Å; A12-Y76 HydrophobicContact CB-CG 4.35Å; C72-Y76 VanDerWaalsContact O-CB 3.3Å; C72-Y76 WeakPolarHBondContact O-CB 3.46Å; C72-Y76 PolarHBondContact O-N 3.32Å; R73-Y76 PolarHBondContact O-N 2.91Å; Y76-G80 WeakPolarHBondContact O-CA 3.43Å; Y76-G80 PolarHBondContact O-N 3.02Å; Y76-L84 HydrophobicContact CD1-CD1 4.49Å; Y76-L84 HydrophobicContact CD2-CD1 4.09Å; Y76-L84 HydrophobicContact CE1-CD1 3.87Å; Y76-L84 HydrophobicContact CE2-CD1 3.42Å; Y76-L84 VanDerWaalsContact CE2-CD1 3.42Å; Y76-L84 HydrophobicContact CE2-CD2 3.84Å; Y76-L84 HydrophobicContact CE2-CG 4.23Å; Y76-L84 WeakPolarHBondContact OH-CD1 3.38Å
77	E	93.2	Very high	92.7	Very high	124 Å²	124	81 Å²	81	58%	0.579	39%	0.386	S	S	*	.	H	α-helix	trans	-73.5	-39.8	179.5	-70.4	173.7	179.1	0	0	112.3	R73 H74 P81	R73-E77 VanDerWaalsContact CD-OE1 3.29Å; R73-E77 WeakPolarHBondContact CD-OE1 3.37Å; R73-E77 HydrophobicContact CG-CG 4.16Å; R73-E77 WeakPolarHBondContact CG-OE1 3.48Å; R73-E77 WeakPolarHBondContact O-CB 3.45Å; R73-E77 WeakPolarHBondContact O-CG 3.48Å; R73-E77 PolarHBondContact O-N 2.86Å; H74-E77 PolarHBondContact O-N 2.78Å; E77-P81 WeakPolarHBondContact O-CD 3.34Å
78	L	92.9	Very high	92.7	Very high	109 Å²	109	82.3 Å²	82.3	57%	0.571	39%	0.394	S	S	*	.	H	α-helix	trans	-68.1	-47	-179.4	-178.7	66	0	0	0	112.4	H74	H74-L78 WeakPolarHBondContact O-CB 3.35Å; H74-L78 PolarHBondContact O-N 2.83Å
79	V	87.4	Confident	92.7	Very high	57 Å²	57	87.4 Å²	87.4	35%	0.345	42%	0.417	S	S	.	.	H	α-helix	trans	-100.1	-11.5	-172.6	-157	0	0	0	0	111.7	N75 M82 T83	N75-V79 WeakPolarHBondContact O-CB 3.49Å; N75-V79 WeakPolarHBondContact O-CG2 3.31Å; N75-V79 PolarHBondContact O-N 2.59Å; V79-M82 HydrophobicContact CG1-CE 4.43Å; V79-M82 PolarHBondContact O-N 2.77Å; V79-M82 VanDerWaalsContact O-N 3.12Å; V79-T83 HydrophobicContact CG1-CG2 3.71Å; V79-T83 PolarHBondContact O-N 2.85Å; V79-T83 VanDerWaalsContact O-N 3.08Å; V79-T83 PolarHBondContact O-OG1 2.64Å
80	G	83.6	Confident	92.8	Very high	5 Å²	5	83.5 Å²	83.5	5%	0.052	40%	0.397	C	S	.	.	H	α-helix	trans	-51.8	-50.2	-177.9	0	0	0	0	0	114.5	Y76 M82 T83 L84	Y76-G80 WeakPolarHBondContact O-CA 3.43Å; Y76-G80 PolarHBondContact O-N 3.02Å; G80-M82 PolarHBondContact O-N 3.08Å; G80-T83 PolarHBondContact O-N 2.76Å; G80-L84 VanDerWaalsContact CA-CD1 3.49Å; G80-L84 VanDerWaalsContact O-CB 3.25Å; G80-L84 WeakPolarHBondContact O-CB 3.44Å; G80-L84 WeakPolarHBondContact O-CG 3.19Å; G80-L84 PolarHBondContact O-N 3.19Å
81	P	84.9	Confident	92.9	Very high	96 Å²	96	80.9 Å²	80.9	62%	0.623	39%	0.39	S	S	*	.	H	α-helix	trans	-56.1	-35.4	179	-27.5	35.7	0	0	0	113.7	E77	E77-P81 WeakPolarHBondContact O-CD 3.34Å
82	M	83.3	Confident	92.9	Very high	137 Å²	137	79.3 Å²	79.3	68%	0.675	38%	0.384	S	S	*	.	H	α-helix	trans	-85.8	-23.1	-178.2	-68.6	-175.6	-77.5	0	0	113.9	V79 G80 R86	V79-M82 HydrophobicContact CG1-CE 4.43Å; V79-M82 PolarHBondContact O-N 2.77Å; V79-M82 VanDerWaalsContact O-N 3.12Å; G80-M82 PolarHBondContact O-N 3.08Å; M82-R86 WeakPolarHBondContact O-CB 3.19Å
83	T	86.1	Confident	93	Very high	37 Å²	37	83.4 Å²	83.4	23%	0.227	41%	0.406	C	S	.	.	H	α-helix	trans	-111.5	-41.8	-171.6	51	0	0	0	0	113.3	V79 G80 W146	V79-T83 HydrophobicContact CG1-CG2 3.71Å; V79-T83 PolarHBondContact O-N 2.85Å; V79-T83 VanDerWaalsContact O-N 3.08Å; V79-T83 PolarHBondContact O-OG1 2.64Å; G80-T83 PolarHBondContact O-N 2.76Å; T83-W146 HydrophobicContact CG2-CH2 4.11Å; T83-W146 HydrophobicContact CG2-CZ3 4.12Å
84	L	87.6	Confident	93	Very high	85 Å²	85	80.5 Å²	80.5	45%	0.445	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-34	-176.4	-57.7	169.6	0	0	0	112.1	Y76 G80	Y76-L84 HydrophobicContact CD1-CD1 4.49Å; Y76-L84 HydrophobicContact CD2-CD1 4.09Å; Y76-L84 HydrophobicContact CE1-CD1 3.87Å; Y76-L84 HydrophobicContact CE2-CD1 3.42Å; Y76-L84 VanDerWaalsContact CE2-CD1 3.42Å; Y76-L84 HydrophobicContact CE2-CD2 3.84Å; Y76-L84 HydrophobicContact CE2-CG 4.23Å; Y76-L84 WeakPolarHBondContact OH-CD1 3.38Å; G80-L84 VanDerWaalsContact CA-CD1 3.49Å; G80-L84 VanDerWaalsContact O-CB 3.25Å; G80-L84 WeakPolarHBondContact O-CB 3.44Å; G80-L84 WeakPolarHBondContact O-CG 3.19Å; G80-L84 PolarHBondContact O-N 3.19Å
85	Q	90.3	Very high	92.9	Very high	109 Å²	109	77.2 Å²	77.2	51%	0.509	39%	0.386	S	S	.	.	S	Bend	trans	-99.9	6	178.3	-59.1	-58.4	-39.1	0	0	112.7	R87	Q85-R87 PolarHBondContact O-N 3.39Å
86	R	94.7	Very high	92.8	Very high	73 Å²	73	76.4 Å²	76.4	28%	0.275	39%	0.385	S	S	.	.			trans	-60.6	126	177.3	-174	172	177.2	-87.3	5.7	109.4	M82 Y116 W146	M82-R86 WeakPolarHBondContact O-CB 3.19Å; R86-Y116 HydrophobicContact CB-CD1 3.96Å; R86-Y116 HydrophobicContact CB-CE1 3.85Å; R86-Y116 HydrophobicContact CG-CD1 3.94Å; R86-Y116 HydrophobicContact CG-CE1 4.23Å; R86-Y116 WeakPolarHBondContact O-CD1 3.03Å; R86-W146 PolarHBondContact NH1-O 3.21Å
87	R	96.8	Very high	92.5	Very high	132 Å²	132	73.2 Å²	73.2	50%	0.498	38%	0.378	S	S	.	.			trans	-130.1	126.1	178.4	-74.6	173.7	-175.4	111.4	10.8	108.3	Q85 Y116 T171	Q85-R87 PolarHBondContact O-N 3.39Å; R87-Y116 CarbonylContact C-O 3.59Å; R87-Y116 WeakPolarHBondContact CA-O 2.99Å; R87-T171 WeakPolarHBondContact CD-O 3.41Å; R87-T171 HydrophobicContact CG-CG2 4.49Å; R87-T171 PolarHBondContact NE-O 3.29Å
88	V	97.9	Very high	91.5	Very high	43 Å²	43	77 Å²	77	26%	0.261	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-127	126.9	171.2	-171.9	0	0	0	0	107.5	D114 F115 Y116 H170 S172	V88-D114 WeakPolarHBondContact CG1-O 3.06Å; V88-F115 WeakPolarHBondContact O-CA 3.23Å; V88-Y116 PolarHBondContact N-O 2.99Å; V88-Y116 PolarHBondContact O-N 3.2Å; V88-Y116 VanDerWaalsContact O-N 3.15Å; V88-H170 PolarHBondContact O-CE1 3.4Å; V88-S172 PolarHBondContact O-OG 2.78Å
89	Q	98.6	Very high	90	Very high	117 Å²	117	78.4 Å²	78.4	55%	0.547	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-70.9	139.5	-176.7	-68.7	-176.8	-2.1	0	0	112	S172 L173	Q89-S172 VanDerWaalsContact CA-OG 3.26Å; Q89-S172 WeakPolarHBondContact CA-OG 3.49Å; Q89-S172 WeakPolarHBondContact CG-O 3.48Å; Q89-S172 WeakPolarHBondContact CG-OG 3.23Å; Q89-S172 PolarHBondContact NE2-O 3.3Å; Q89-L173 HydrophobicContact CB-CD2 4.15Å; Q89-L173 HydrophobicContact CG-CD2 3.8Å
90	P	98.6	Very high	88.3	Confident	14 Å²	14	78 Å²	78	9%	0.091	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-68.3	148.1	174.2	27.5	-32.9	0	0	0	111.5	V92 V112 T113 F115 V168 H170 L173	P90-V92 HydrophobicContact CB-CG2 4.5Å; P90-V112 HydrophobicContact CB-CG1 3.45Å; P90-V112 VanDerWaalsContact CB-CG1 3.45Å; P90-V112 HydrophobicContact CG-CG1 4.46Å; P90-T113 WeakPolarHBondContact CA-O 3.26Å; P90-F115 HydrophobicContact CB-CB 3.82Å; P90-F115 HydrophobicContact CB-CD1 4.24Å; P90-F115 HydrophobicContact CB-CG 4.32Å; P90-V168 HydrophobicContact CB-CG1 4.5Å; P90-V168 HydrophobicContact CG-CG1 4Å; P90-H170 HydrophobicContact CG-CB 4.37Å; P90-L173 HydrophobicContact CG-CD1 3.84Å; P90-L173 HydrophobicContact CG-CG 4.44Å
91	K	98.6	Very high	86.9	Confident	129 Å²	129	83.9 Å²	83.9	56%	0.561	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	132.8	158.2	-61.8	174.3	-169.3	155.9	0	108	V112 T113 D114	K91-V112 CarbonylContact O-C 3.6Å; K91-V112 WeakPolarHBondContact O-CA 3.5Å; K91-T113 PolarHBondContact N-O 2.99Å; K91-T113 PolarHBondContact O-N 3.18Å; K91-D114 WeakPolarHBondContact CD-OD2 3.47Å; K91-D114 WeakPolarHBondContact CE-OD2 3.4Å; K91-D114 IonicContact NZ-OD2 3.49Å; K91-D114 PolarHBondContact NZ-OD2 2.65Å
92	V	98.6	Very high	85.4	Confident	29 Å²	29	87 Å²	87	18%	0.176	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.6	-176.2	-172.6	0	0	0	0	108.5	P90 V112 V168 V177 V179	P90-V92 HydrophobicContact CB-CG2 4.5Å; V92-V112 HydrophobicContact CG2-CG1 4.43Å; V92-V168 HydrophobicContact CG1-CG2 3.96Å; V92-V168 HydrophobicContact CG2-CB 4.09Å; V92-V168 HydrophobicContact CG2-CG1 4.47Å; V92-V168 HydrophobicContact CG2-CG2 3.69Å; V92-V177 HydrophobicContact CB-CG1 4.29Å; V92-V177 HydrophobicContact CG2-CB 4.46Å; V92-V177 HydrophobicContact CG2-CG1 3.83Å; V92-V179 HydrophobicContact CB-CG2 3.74Å; V92-V179 HydrophobicContact CG1-CB 4.11Å; V92-V179 HydrophobicContact CG1-CG2 3.57Å
93	N	98.2	Very high	84.1	Confident	89 Å²	89	85.3 Å²	85.3	48%	0.476	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.7	175.8	178.3	50.6	0	0	0	109.6	H111	N93-H111 PolarHBondContact N-O 3.19Å; N93-H111 PolarHBondContact O-N 2.04Å
94	V	97.6	Very high	82.6	Confident	17 Å²	17	91.8 Å²	91.8	10%	0.103	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.2	175.3	178.2	0	0	0	0	109.2	L108 V109 C110 W124 C166 V179 W181	V94-L108 HydrophobicContact CG1-CD1 3.88Å; V94-L108 HydrophobicContact CG1-CD2 3.89Å; V94-L108 HydrophobicContact CG1-CG 3.78Å; V94-V109 WeakPolarHBondContact CA-O 3.27Å; V94-C110 HydrophobicContact CG2-CB 4.35Å; V94-W124 HydrophobicContact CG1-CH2 3.72Å; V94-W124 HydrophobicContact CG1-CZ3 4.33Å; V94-W124 HydrophobicContact CG2-CH2 4.17Å; V94-C166 HydrophobicContact CG2-CB 3.6Å; V94-V179 HydrophobicContact CB-CG1 3.99Å; V94-V179 HydrophobicContact CG2-CB 3.85Å; V94-V179 HydrophobicContact CG2-CG1 3.7Å; V94-W181 HydrophobicContact CB-CB 4.43Å; V94-W181 HydrophobicContact CG1-CB 3.56Å; V94-W181 HydrophobicContact CG1-CG 4.17Å
95	S	94.3	Very high	81.3	Confident	41 Å²	41	92.5 Å²	92.5	29%	0.287	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	149.7	176.3	57.9	0	0	0	0	112	V109	S95-V109 PolarHBondContact N-O 3.13Å; S95-V109 WeakPolarHBondContact O-CB 3.1Å; S95-V109 PolarHBondContact O-N 2.83Å
96	P	92.4	Very high	80.9	Confident	57 Å²	57	92.3 Å²	92.3	37%	0.37	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	141.3	171.7	26.9	-32.9	0	0	0	109.8	K98 M156	P96-K98 PolarHBondContact O-N 2.93Å; P96-M156 HydrophobicContact CB-CE 4.38Å
97	S	86.8	Confident	80.7	Confident	38 Å²	38	90.1 Å²	90.1	27%	0.266	46%	0.464	S	S	.	.			trans	-60.4	125.8	175.3	178.7	0	0	0	0	109.9	K99 L107	S97-K99 VanDerWaalsContact C-N 3.25Å; S97-K99 PolarHBondContact O-N 3.08Å; S97-K99 PolarHBondContact OG-N 2.87Å; S97-L107 WeakPolarHBondContact CB-O 3.44Å; S97-L107 PolarHBondContact N-O 2.66Å
98	K	72.1	Confident	80.6	Confident	204 Å²	204	83.9 Å²	83.9	89%	0.887	44%	0.44	S	S	*	.			trans	-86.8	11.9	175.4	-62.6	-173.7	-178.8	-179	0	113.2	P96 G100	P96-K98 PolarHBondContact O-N 2.93Å; K98-G100 PolarHBondContact O-N 3.06Å
99	K	61.9	Low	80.5	Confident	138 Å²	138	82.5 Å²	82.5	60%	0.6	43%	0.432	S	S	*	.			trans	-67.4	131.9	-176.9	-70.2	-174.9	178.7	178.1	0	109.5	S97	S97-K99 VanDerWaalsContact C-N 3.25Å; S97-K99 PolarHBondContact O-N 3.08Å; S97-K99 PolarHBondContact OG-N 2.87Å
100	G	52.3	Low	80.5	Confident	47 Å²	47	77 Å²	77	49%	0.485	41%	0.406	S	S	.	.			trans	-59.8	177.8	-167.7	0	0	0	0	0	114.8	K98 L102 Q103	K98-G100 PolarHBondContact O-N 3.06Å; G100-L102 PolarHBondContact O-N 2.83Å; G100-Q103 PolarHBondContact O-N 3.01Å
101	P	53.8	Low	80.5	Confident	129 Å²	129	78.9 Å²	78.9	84%	0.838	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	5.2	-166.7	19.5	-31.7	0	0	0	117.6
102	L	53.7	Low	80.5	Confident	162 Å²	162	72.8 Å²	72.8	85%	0.848	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-7.3	-177.2	-71.3	158.3	0	0	0	114.1	G100	G100-L102 PolarHBondContact O-N 2.83Å
103	Q	55.1	Low	80.5	Confident	102 Å²	102	72.6 Å²	72.6	48%	0.477	39%	0.386	S	S	.	.			trans	-107.8	102	168.7	-77.5	-172.7	-25.7	0	0	108.8	G100 H105	G100-Q103 PolarHBondContact O-N 3.01Å; Q103-H105 PolarHBondContact O-N 3.48Å
104	H	54	Low	80.5	Confident	172 Å²	172	70.8 Å²	70.8	80%	0.796	38%	0.376	S	S	*	.			trans	-69.3	13.5	-174.1	-65.9	-55.3	0	0	0	115.4
105	H	61.3	Low	80.6	Confident	100 Å²	100	70 Å²	70	46%	0.463	37%	0.371	S	S	.	.	S	Bend	trans	-112.8	118.9	-178.2	-58.4	-70.4	0	0	0	109.5	Q103 L107 E155	Q103-H105 PolarHBondContact O-N 3.48Å; H105-L107 VanDerWaalsContact C-N 3.32Å; H105-L107 HydrophobicContact CB-CD2 4.17Å; H105-L107 HydrophobicContact CB-CG 4.03Å; H105-L107 PolarHBondContact O-N 2.84Å; H105-E155 HydrophobicContact CB-CG 4.32Å; H105-E155 IonicContact CE1-OE1 3.43Å; H105-E155 PolarHBondContact CE1-OE1 2.83Å; H105-E155 IonicContact CG-OE1 3.48Å; H105-E155 VanDerWaalsContact ND1-CD 3.3Å; H105-E155 IonicContact ND1-OE1 2.67Å; H105-E155 PolarHBondContact ND1-OE1 2.85Å; H105-E155 IonicContact ND1-OE2 3.74Å
106	N	82.1	Confident	80.7	Confident	105 Å²	105	70 Å²	70	56%	0.561	37%	0.365	S	S	*	.			trans	-66	95	166.2	-85.1	-16.9	0	0	0	107.4	M156	N106-M156 HydrophobicContact CB-CG 4.19Å; N106-M156 WeakPolarHBondContact CB-O 3.38Å; N106-M156 WeakPolarHBondContact O-CG 3.32Å; N106-M156 PolarHBondContact O-N 2.91Å
107	L	90.2	Very high	81	Confident	28 Å²	28	69.1 Å²	69.1	15%	0.147	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.2	-179.5	-67	173.2	0	0	0	110	S97 H105 L154 E155	S97-L107 WeakPolarHBondContact CB-O 3.44Å; S97-L107 PolarHBondContact N-O 2.66Å; H105-L107 VanDerWaalsContact C-N 3.32Å; H105-L107 HydrophobicContact CB-CD2 4.17Å; H105-L107 HydrophobicContact CB-CG 4.03Å; H105-L107 PolarHBondContact O-N 2.84Å; L107-L154 CarbonylContact C-O 3.52Å; L107-L154 WeakPolarHBondContact CA-O 3.3Å; L107-E155 HydrophobicContact CD2-CB 4.09Å
108	L	94.3	Very high	81.5	Confident	0 Å²	0	68 Å²	68	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.1	163.6	-165.7	67.2	0	0	0	108.8	V94 W124 M153 L154 M156 Y164 W181	V94-L108 HydrophobicContact CG1-CD1 3.88Å; V94-L108 HydrophobicContact CG1-CD2 3.89Å; V94-L108 HydrophobicContact CG1-CG 3.78Å; L108-W124 HydrophobicContact CB-CH2 4.26Å; L108-W124 HydrophobicContact CB-CZ2 4.46Å; L108-W124 HydrophobicContact CD2-CE3 4.48Å; L108-W124 HydrophobicContact CD2-CH2 3.41Å; L108-W124 VanDerWaalsContact CD2-CH2 3.41Å; L108-W124 HydrophobicContact CD2-CZ2 4.35Å; L108-W124 HydrophobicContact CD2-CZ3 3.5Å; L108-W124 VanDerWaalsContact CD2-CZ3 3.5Å; L108-W124 HydrophobicContact CG-CH2 3.64Å; L108-W124 HydrophobicContact CG-CZ2 4.26Å; L108-W124 HydrophobicContact CG-CZ3 4.25Å; L108-M153 CarbonylContact O-C 3.55Å; L108-M153 VanDerWaalsContact O-CA 3.23Å; L108-M153 WeakPolarHBondContact O-CA 3.47Å; L108-L154 PolarHBondContact N-O 3.34Å; L108-L154 PolarHBondContact O-N 3.19Å; L108-M156 HydrophobicContact CB-CE 3.9Å; L108-M156 HydrophobicContact CB-CG 4.38Å; L108-M156 HydrophobicContact CB-SD 3.84Å; L108-M156 HydrophobicContact CD1-CE 4.07Å; L108-M156 HydrophobicContact CD1-SD 4.47Å; L108-Y164 HydrophobicContact CD2-CD1 4.29Å; L108-Y164 HydrophobicContact CD2-CG 3.95Å; L108-W181 HydrophobicContact CD1-CB 4.24Å; L108-W181 HydrophobicContact CD1-CD2 3.5Å; L108-W181 VanDerWaalsContact CD1-CD2 3.5Å; L108-W181 HydrophobicContact CD1-CE3 3.93Å; L108-W181 HydrophobicContact CD1-CG 3.62Å; L108-W181 HydrophobicContact CD1-CZ2 4.46Å; L108-W181 HydrophobicContact CD2-CB 4.05Å; L108-W181 HydrophobicContact CD2-CD2 4.08Å; L108-W181 HydrophobicContact CD2-CE3 3.87Å; L108-W181 HydrophobicContact CD2-CG 4.17Å; L108-W181 HydrophobicContact CG-CD2 4.47Å
109	V	96.4	Very high	82.7	Confident	15 Å²	15	63.1 Å²	63.1	9%	0.091	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	120.3	-172.5	-172.1	0	0	0	0	109.4	V94 S95 L151 M153	V94-V109 WeakPolarHBondContact CA-O 3.27Å; S95-V109 PolarHBondContact N-O 3.13Å; S95-V109 WeakPolarHBondContact O-CB 3.1Å; S95-V109 PolarHBondContact O-N 2.83Å; V109-L151 HydrophobicContact CG1-CB 4.36Å; V109-L151 HydrophobicContact CG1-CD2 4.01Å; V109-L151 HydrophobicContact CG1-CG 4.47Å; V109-M153 HydrophobicContact CB-CG 4.43Å; V109-M153 HydrophobicContact CG1-CG 4.08Å; V109-M153 HydrophobicContact CG2-CG 4.1Å
110	C	98.3	Very high	84.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	102.1	164.5	-172.1	0	0	0	0	108.4	V94 W124 V152 C166	V94-C110 HydrophobicContact CG2-CB 4.35Å; C110-W124 HydrophobicContact CB-CH2 4.03Å; C110-W124 HydrophobicContact CB-CZ2 3.48Å; C110-W124 VanDerWaalsContact CB-CZ2 3.48Å; C110-V152 WeakPolarHBondContact CB-O 3.43Å; C110-V152 PolarHBondContact N-O 2.97Å; C110-V152 PolarHBondContact O-N 3.38Å; C110-C166 HydrophobicContact CB-CB 3.62Å; C110-C166 WeakPolarHBondContact CB-SG 3.36Å; C110-C166 WeakPolarHBondContact SG-CB 3.16Å; C110-C166 CovalentContact SG-SG 2.03Å; C110-C166 PolarHBondContact SG-SG 3.1Å
111	H	98.3	Very high	86.7	Confident	55 Å²	55	60.9 Å²	60.9	26%	0.255	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.3	177.4	-172.4	-163.6	0	0	0	108.9	N93 T113 Q149	N93-H111 PolarHBondContact N-O 3.19Å; N93-H111 PolarHBondContact O-N 2.04Å; H111-T113 VanDerWaalsContact CD2-CG2 3.47Å; H111-T113 WeakPolarHBondContact CD2-CG2 3.37Å; H111-T113 VanDerWaalsContact CE1-CG2 3.41Å; H111-T113 WeakPolarHBondContact CE1-CG2 3.38Å; H111-T113 WeakPolarHBondContact NE2-CG2 3.45Å; H111-Q149 PolarHBondContact NE2-OE1 2.91Å
112	V	98.8	Very high	88.8	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.9	-178.2	-169.3	0	0	0	0	108.5	P90 K91 V92 F115 I120 V122 Q149 I150 V168	P90-V112 HydrophobicContact CB-CG1 3.45Å; P90-V112 VanDerWaalsContact CB-CG1 3.45Å; P90-V112 HydrophobicContact CG-CG1 4.46Å; K91-V112 CarbonylContact O-C 3.6Å; K91-V112 WeakPolarHBondContact O-CA 3.5Å; V92-V112 HydrophobicContact CG2-CG1 4.43Å; V112-F115 HydrophobicContact CB-CE1 4.33Å; V112-F115 HydrophobicContact CG1-CD1 3.91Å; V112-F115 HydrophobicContact CG1-CE1 3.97Å; V112-I120 HydrophobicContact CG1-CD1 3.68Å; V112-V122 HydrophobicContact CG2-CG2 4.12Å; V112-Q149 CarbonylContact O-C 3.57Å; V112-Q149 WeakPolarHBondContact O-CA 3.31Å; V112-Q149 WeakPolarHBondContact O-CB 3.21Å; V112-I150 HydrophobicContact CB-CG2 3.97Å; V112-I150 HydrophobicContact CG2-CG2 4.43Å; V112-I150 PolarHBondContact N-O 2.94Å; V112-I150 PolarHBondContact O-N 3.44Å; V112-V168 HydrophobicContact CG1-CG1 4.15Å; V112-V168 HydrophobicContact CG1-CG2 4.48Å; V112-V168 HydrophobicContact CG2-CG2 3.82Å
113	T	98.7	Very high	91	Very high	25 Å²	25	51 Å²	51	15%	0.153	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	167	-171.2	65.2	0	0	0	0	113.6	P90 K91 H111 F115 Q149	P90-T113 WeakPolarHBondContact CA-O 3.26Å; K91-T113 PolarHBondContact N-O 2.99Å; K91-T113 PolarHBondContact O-N 3.18Å; H111-T113 VanDerWaalsContact CD2-CG2 3.47Å; H111-T113 WeakPolarHBondContact CD2-CG2 3.37Å; H111-T113 VanDerWaalsContact CE1-CG2 3.41Å; H111-T113 WeakPolarHBondContact CE1-CG2 3.38Å; H111-T113 WeakPolarHBondContact NE2-CG2 3.45Å; T113-F115 VanDerWaalsContact C-N 3.25Å; T113-F115 PolarHBondContact O-N 3.12Å; T113-Q149 HydrophobicContact CG2-CB 4.07Å
114	D	98.3	Very high	93	Very high	51 Å²	51	46.1 Å²	46.1	27%	0.273	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	59.4	26.9	168.5	-54	-21	0	0	0	114.9	V88 K91 F148	V88-D114 WeakPolarHBondContact CG1-O 3.06Å; K91-D114 WeakPolarHBondContact CD-OD2 3.47Å; K91-D114 WeakPolarHBondContact CE-OD2 3.4Å; K91-D114 IonicContact NZ-OD2 3.49Å; K91-D114 PolarHBondContact NZ-OD2 2.65Å; D114-F148 PolarHBondContact N-O 3.33Å; D114-F148 VanDerWaalsContact N-O 3.12Å
115	F	98.6	Very high	95.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	158.3	-177.5	65.4	-89.4	0	0	0	113.7	V88 P90 V112 T113 P117 I120 L140 T147 F148 I150 H170	V88-F115 WeakPolarHBondContact O-CA 3.23Å; P90-F115 HydrophobicContact CB-CB 3.82Å; P90-F115 HydrophobicContact CB-CD1 4.24Å; P90-F115 HydrophobicContact CB-CG 4.32Å; V112-F115 HydrophobicContact CB-CE1 4.33Å; V112-F115 HydrophobicContact CG1-CD1 3.91Å; V112-F115 HydrophobicContact CG1-CE1 3.97Å; T113-F115 VanDerWaalsContact C-N 3.25Å; T113-F115 PolarHBondContact O-N 3.12Å; F115-P117 WeakPolarHBondContact CD2-O 3.47Å; F115-I120 HydrophobicContact CD1-CD1 3.99Å; F115-I120 HydrophobicContact CD2-CB 4.47Å; F115-I120 HydrophobicContact CD2-CD1 3.86Å; F115-I120 HydrophobicContact CE1-CD1 3.83Å; F115-I120 HydrophobicContact CE2-CB 3.85Å; F115-I120 HydrophobicContact CE2-CD1 3.72Å; F115-I120 HydrophobicContact CE2-CG1 4.4Å; F115-I120 HydrophobicContact CE2-CG2 3.84Å; F115-I120 HydrophobicContact CG-CD1 4Å; F115-I120 HydrophobicContact CZ-CB 4.23Å; F115-I120 HydrophobicContact CZ-CD1 3.71Å; F115-I120 HydrophobicContact CZ-CG2 3.8Å; F115-L140 HydrophobicContact CE2-CD1 4Å; F115-L140 HydrophobicContact CZ-CD1 3.66Å; F115-T147 CarbonylContact O-C 3.59Å; F115-T147 WeakPolarHBondContact O-CA 3.45Å; F115-F148 WeakPolarHBondContact CD1-O 3.42Å; F115-F148 HydrophobicContact CD2-CB 4.12Å; F115-F148 HydrophobicContact CE1-CB 4.28Å; F115-F148 HydrophobicContact CE2-CB 3.72Å; F115-F148 HydrophobicContact CZ-CB 3.8Å; F115-F148 PolarHBondContact N-O 3.1Å; F115-F148 PolarHBondContact O-N 3.42Å; F115-I150 HydrophobicContact CE1-CG2 4.09Å; F115-I150 HydrophobicContact CZ-CG2 4.05Å; F115-H170 AromaticContact CD2-CD2 3.98Å; F115-H170 AromaticContact CD2-NE2 3.82Å
116	Y	98.1	Very high	96.9	Very high	41 Å²	41	36.5 Å²	36.5	16%	0.161	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-158.4	139.3	172.2	-174.8	-81.3	0	0	0	110.3	R86 R87 V88 W146 F148 H170	R86-Y116 HydrophobicContact CB-CD1 3.96Å; R86-Y116 HydrophobicContact CB-CE1 3.85Å; R86-Y116 HydrophobicContact CG-CD1 3.94Å; R86-Y116 HydrophobicContact CG-CE1 4.23Å; R86-Y116 WeakPolarHBondContact O-CD1 3.03Å; R87-Y116 CarbonylContact C-O 3.59Å; R87-Y116 WeakPolarHBondContact CA-O 2.99Å; V88-Y116 PolarHBondContact N-O 2.99Å; V88-Y116 PolarHBondContact O-N 3.2Å; V88-Y116 VanDerWaalsContact O-N 3.15Å; Y116-W146 WeakPolarHBondContact CD2-O 3.43Å; Y116-W146 HydrophobicContact CE2-CE3 4.16Å; Y116-F148 AromaticContact CD2-CD2 3.96Å; Y116-F148 HydrophobicContact CD2-CD2 3.96Å; Y116-F148 AromaticContact CD2-CE2 3.53Å; Y116-F148 HydrophobicContact CD2-CE2 3.53Å; Y116-F148 AromaticContact CE2-CE2 3.81Å; Y116-F148 HydrophobicContact CE2-CE2 3.81Å; Y116-F148 HydrophobicContact CG-CE2 4.48Å; Y116-H170 VanDerWaalsContact C-CE1 3.45Å; Y116-H170 PolarHBondContact O-CE1 3.45Å
117	P	97.7	Very high	97.5	Very high	40 Å²	40	35.9 Å²	35.9	26%	0.26	19%	0.193	S	C	.	.	S	Bend	cis	-73.4	-179.6	4.5	32.3	-38	0	0	0	113.7	F115 S119 H170 T171	F115-P117 WeakPolarHBondContact CD2-O 3.47Å; P117-S119 VanDerWaalsContact C-N 3.3Å; P117-S119 PolarHBondContact O-N 3.32Å; P117-H170 PolarHBondContact O-NE2 3.24Å; P117-T171 VanDerWaalsContact CD-CG2 3.48Å; P117-T171 HydrophobicContact CG-CG2 3.62Å
118	G	97.6	Very high	97.7	Very high	15 Å²	15	37.5 Å²	37.5	16%	0.155	22%	0.216	C	C	.	.	S	Bend	trans	-73.4	-16	-175.3	0	0	0	0	0	115.5	I120 L140	G118-I120 PolarHBondContact O-N 2.86Å; G118-L140 WeakPolarHBondContact O-CD2 3.23Å
119	S	97.9	Very high	97.9	Very high	101 Å²	101	44.2 Å²	44.2	71%	0.706	25%	0.248	S	C	*	.			trans	-73.9	116	179.6	-174.6	0	0	0	0	110.1	P117 H170	P117-S119 VanDerWaalsContact C-N 3.3Å; P117-S119 PolarHBondContact O-N 3.32Å; S119-H170 PolarHBondContact O-CD2 2.69Å
120	I	98.6	Very high	97.9	Very high	35 Å²	35	48.1 Å²	48.1	18%	0.179	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	149.9	-175.8	-165.2	163.1	0	0	0	110	V112 F115 G118 V122 I150 V168 E169 H170	V112-I120 HydrophobicContact CG1-CD1 3.68Å; F115-I120 HydrophobicContact CD1-CD1 3.99Å; F115-I120 HydrophobicContact CD2-CB 4.47Å; F115-I120 HydrophobicContact CD2-CD1 3.86Å; F115-I120 HydrophobicContact CE1-CD1 3.83Å; F115-I120 HydrophobicContact CE2-CB 3.85Å; F115-I120 HydrophobicContact CE2-CD1 3.72Å; F115-I120 HydrophobicContact CE2-CG1 4.4Å; F115-I120 HydrophobicContact CE2-CG2 3.84Å; F115-I120 HydrophobicContact CG-CD1 4Å; F115-I120 HydrophobicContact CZ-CB 4.23Å; F115-I120 HydrophobicContact CZ-CD1 3.71Å; F115-I120 HydrophobicContact CZ-CG2 3.8Å; G118-I120 PolarHBondContact O-N 2.86Å; I120-V122 HydrophobicContact CD1-CG2 4.47Å; I120-V122 HydrophobicContact CG1-CG2 4.24Å; I120-I150 HydrophobicContact CG2-CG2 4.22Å; I120-V168 HydrophobicContact CD1-CG1 3.76Å; I120-V168 HydrophobicContact CG1-CG1 4.05Å; I120-E169 WeakPolarHBondContact CG1-O 3.47Å; I120-H170 HydrophobicContact CD1-CB 4.39Å; I120-H170 HydrophobicContact CG1-CB 4.18Å
121	Q	98.6	Very high	97.9	Very high	102 Å²	102	50.7 Å²	50.7	48%	0.477	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.5	171.2	-179.2	162.7	16.5	0	0	109.5	R123 E169	Q121-R123 HydrophobicContact CG-CG 4.39Å; Q121-E169 HydrophobicContact CB-CB 4.27Å; Q121-E169 PolarHBondContact N-O 3.47Å; Q121-E169 PolarHBondContact O-N 3.15Å
122	V	98.7	Very high	97.8	Very high	26 Å²	26	53.1 Å²	53.1	16%	0.158	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.9	-178.6	-176.5	0	0	0	0	107.7	V112 I120 I150 V152 C166 Q167 V168	V112-V122 HydrophobicContact CG2-CG2 4.12Å; I120-V122 HydrophobicContact CD1-CG2 4.47Å; I120-V122 HydrophobicContact CG1-CG2 4.24Å; V122-I150 HydrophobicContact CG2-CG2 4.4Å; V122-V152 HydrophobicContact CB-CB 4.34Å; V122-V152 HydrophobicContact CB-CG2 3.77Å; V122-V152 HydrophobicContact CG1-CB 3.82Å; V122-V152 HydrophobicContact CG1-CG1 4.21Å; V122-V152 HydrophobicContact CG1-CG2 3.77Å; V122-V152 HydrophobicContact CG2-CG2 4.18Å; V122-C166 VanDerWaalsContact CG1-SG 3.55Å; V122-Q167 CarbonylContact C-O 3.48Å; V122-Q167 WeakPolarHBondContact CA-O 3.25Å; V122-V168 HydrophobicContact CG1-CG2 4.25Å; V122-V168 HydrophobicContact CG2-CG2 4.25Å
123	R	98.6	Very high	97.6	Very high	57 Å²	57	56.5 Å²	56.5	22%	0.215	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.1	-177.5	-67.9	-176.6	-68.5	-161.8	1.5	110.6	Q121 F125 E130 Q167 E169	Q121-R123 HydrophobicContact CG-CG 4.39Å; R123-F125 HydrophobicContact CB-CD2 4.49Å; R123-F125 HydrophobicContact CB-CE2 3.75Å; R123-F125 HydrophobicContact CB-CZ 4.41Å; R123-E130 WeakPolarHBondContact CD-OE1 3.2Å; R123-Q167 PolarHBondContact N-O 3.4Å; R123-Q167 PolarHBondContact O-N 3.15Å; R123-E169 IonicContact CZ-OE1 3.69Å; R123-E169 IonicContact NH2-OE1 2.74Å; R123-E169 PolarHBondContact NH2-OE1 2.86Å
124	W	98.5	Very high	97.2	Very high	1 Å²	1	56.9 Å²	56.9	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	144.5	172.2	-82.3	109.3	0	0	0	110.3	V94 L108 C110 E130 E131 V135 V152 L154 I165 C166	V94-W124 HydrophobicContact CG1-CH2 3.72Å; V94-W124 HydrophobicContact CG1-CZ3 4.33Å; V94-W124 HydrophobicContact CG2-CH2 4.17Å; L108-W124 HydrophobicContact CB-CH2 4.26Å; L108-W124 HydrophobicContact CB-CZ2 4.46Å; L108-W124 HydrophobicContact CD2-CE3 4.48Å; L108-W124 HydrophobicContact CD2-CH2 3.41Å; L108-W124 VanDerWaalsContact CD2-CH2 3.41Å; L108-W124 HydrophobicContact CD2-CZ2 4.35Å; L108-W124 HydrophobicContact CD2-CZ3 3.5Å; L108-W124 VanDerWaalsContact CD2-CZ3 3.5Å; L108-W124 HydrophobicContact CG-CH2 3.64Å; L108-W124 HydrophobicContact CG-CZ2 4.26Å; L108-W124 HydrophobicContact CG-CZ3 4.25Å; C110-W124 HydrophobicContact CB-CH2 4.03Å; C110-W124 HydrophobicContact CB-CZ2 3.48Å; C110-W124 VanDerWaalsContact CB-CZ2 3.48Å; W124-E130 CarbonylContact O-C 3.6Å; W124-E130 WeakPolarHBondContact O-CA 3.44Å; W124-E131 HydrophobicContact CB-CB 4.24Å; W124-E131 PolarHBondContact O-N 2.87Å; W124-V135 HydrophobicContact CB-CG2 4.4Å; W124-V152 PolarHBondContact NE1-O 2.88Å; W124-L154 HydrophobicContact CB-CD2 4.17Å; W124-L154 HydrophobicContact CD2-CB 3.97Å; W124-L154 HydrophobicContact CD2-CD2 4.1Å; W124-L154 HydrophobicContact CE3-CD2 4.24Å; W124-L154 HydrophobicContact CG-CB 3.93Å; W124-L154 HydrophobicContact CG-CD2 4.1Å; W124-L154 HydrophobicContact CG-CG 4.47Å; W124-L154 HydrophobicContact CZ2-CB 4.44Å; W124-I165 CarbonylContact C-O 3.56Å; W124-I165 WeakPolarHBondContact CA-O 3.03Å; W124-I165 VanDerWaalsContact CE3-O 3.31Å; W124-C166 HydrophobicContact CE3-CB 4.18Å; W124-C166 HydrophobicContact CH2-CB 3.91Å; W124-C166 HydrophobicContact CZ2-CB 4.31Å; W124-C166 HydrophobicContact CZ3-CB 3.84Å
125	F	98.4	Very high	97.1	Very high	35 Å²	35	56.9 Å²	56.9	15%	0.154	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141	170.5	-62.6	-103.5	0	0	0	109.6	R123 Q129 E130 Y164 I165 Q167	R123-F125 HydrophobicContact CB-CD2 4.49Å; R123-F125 HydrophobicContact CB-CE2 3.75Å; R123-F125 HydrophobicContact CB-CZ 4.41Å; F125-Q129 CarbonylContact C-O 3.53Å; F125-Q129 WeakPolarHBondContact CA-O 3.49Å; F125-E130 HydrophobicContact CD1-CB 3.97Å; F125-E130 HydrophobicContact CE1-CB 3.68Å; F125-E130 HydrophobicContact CE1-CG 4.23Å; F125-E130 HydrophobicContact CZ-CB 4.2Å; F125-E130 HydrophobicContact CZ-CG 4.24Å; F125-Y164 CarbonylContact O-C 3.59Å; F125-Y164 WeakPolarHBondContact O-CA 3.36Å; F125-I165 HydrophobicContact CB-CB 4.26Å; F125-I165 PolarHBondContact N-O 3.08Å; F125-I165 PolarHBondContact O-N 2.78Å; F125-Q167 HydrophobicContact CD2-CB 4.2Å; F125-Q167 HydrophobicContact CE2-CB 3.79Å; F125-Q167 VanDerWaalsContact CE2-OE1 3.23Å
126	L	97.3	Very high	97	Very high	34 Å²	34	60.5 Å²	60.5	18%	0.178	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.4	170.1	173.6	57.4	0	0	0	108	G128 Q129 E131 D162 Y164	L126-G128 PolarHBondContact O-N 3.22Å; L126-Q129 PolarHBondContact N-O 3.43Å; L126-Q129 PolarHBondContact O-N 2.88Å; L126-E131 HydrophobicContact CB-CG 3.53Å; L126-D162 HydrophobicContact CD1-CB 3.88Å; L126-Y164 HydrophobicContact CD1-CD1 4.01Å; L126-Y164 HydrophobicContact CD1-CD2 4.25Å; L126-Y164 HydrophobicContact CD1-CE1 3.71Å; L126-Y164 HydrophobicContact CD1-CE2 3.95Å; L126-Y164 HydrophobicContact CD1-CG 4.28Å; L126-Y164 HydrophobicContact CD2-CE1 4.28Å; L126-Y164 HydrophobicContact CG-CE1 4.4Å
127	N	96.3	Very high	96.9	Very high	93 Å²	93	62.3 Å²	62.3	50%	0.497	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	34	178	-58.3	-32.3	0	0	0	113.2	D162 V163	N127-D162 PolarHBondContact ND2-OD1 3.36Å; N127-D162 VanDerWaalsContact ND2-OD1 3.14Å; N127-V163 PolarHBondContact N-O 2.94Å; N127-V163 PolarHBondContact OD1-N 3.16Å
128	G	94.6	Very high	96.8	Very high	61 Å²	61	62.5 Å²	62.5	63%	0.629	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-3.2	179.9	0	0	0	0	0	116	L126	L126-G128 PolarHBondContact O-N 3.22Å
129	Q	97.3	Very high	96.8	Very high	142 Å²	142	68.8 Å²	68.8	66%	0.664	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	136.8	175	-63.6	-169	-20.2	0	0	110.8	F125 L126 E131	F125-Q129 CarbonylContact C-O 3.53Å; F125-Q129 WeakPolarHBondContact CA-O 3.49Å; L126-Q129 PolarHBondContact N-O 3.43Å; L126-Q129 PolarHBondContact O-N 2.88Å; Q129-E131 PolarHBondContact O-N 2.94Å
130	E	97.9	Very high	96.8	Very high	96 Å²	96	67.5 Å²	67.5	45%	0.449	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	124.2	179.1	-172.6	174.7	171.8	0	0	110.5	R123 W124 F125 T132	R123-E130 WeakPolarHBondContact CD-OE1 3.2Å; W124-E130 CarbonylContact O-C 3.6Å; W124-E130 WeakPolarHBondContact O-CA 3.44Å; F125-E130 HydrophobicContact CD1-CB 3.97Å; F125-E130 HydrophobicContact CE1-CB 3.68Å; F125-E130 HydrophobicContact CE1-CG 4.23Å; F125-E130 HydrophobicContact CZ-CB 4.2Å; F125-E130 HydrophobicContact CZ-CG 4.24Å; E130-T132 HydrophobicContact CG-CG2 4.38Å
131	E	96.7	Very high	96.8	Very high	54 Å²	54	68.9 Å²	68.9	25%	0.252	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.6	177.8	-72.1	-59.9	158.5	0	0	110.4	W124 L126 Q129 V135 L154	W124-E131 HydrophobicContact CB-CB 4.24Å; W124-E131 PolarHBondContact O-N 2.87Å; L126-E131 HydrophobicContact CB-CG 3.53Å; Q129-E131 PolarHBondContact O-N 2.94Å; E131-V135 WeakPolarHBondContact O-CG2 3.48Å; E131-L154 HydrophobicContact CB-CD1 4.21Å
132	T	96.6	Very high	96.8	Very high	106 Å²	106	72.7 Å²	72.7	65%	0.65	41%	0.408	S	S	*	.			trans	-119.5	-23.2	178.2	56.9	0	0	0	0	112.3	E130	E130-T132 HydrophobicContact CG-CG2 4.38Å
133	A	94.6	Very high	96.7	Very high	72 Å²	72	73.9 Å²	73.9	60%	0.595	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	137.6	174.2	0	0	0	0	0	110.1	V135	A133-V135 PolarHBondContact O-N 2.68Å
134	G	91.2	Very high	96.6	Very high	33 Å²	33	74.4 Å²	74.4	34%	0.34	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	8.2	179.1	0	0	0	0	0	114.9	E155	G134-E155 PolarHBondContact O-N 2.88Å
135	V	96.3	Very high	96.5	Very high	50 Å²	50	79 Å²	79	30%	0.303	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	124.6	174.3	-179.4	0	0	0	0	110.2	W124 E131 A133 V152 M153 L154	W124-V135 HydrophobicContact CB-CG2 4.4Å; E131-V135 WeakPolarHBondContact O-CG2 3.48Å; A133-V135 PolarHBondContact O-N 2.68Å; V135-V152 HydrophobicContact CG1-CG1 3.67Å; V135-M153 CarbonylContact C-O 3.56Å; V135-M153 VanDerWaalsContact CA-O 3.31Å; V135-M153 WeakPolarHBondContact CA-O 3.45Å; V135-L154 HydrophobicContact CG2-CD1 3.73Å
136	V	94.9	Very high	96.4	Very high	76 Å²	76	84.3 Å²	84.3	46%	0.461	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.2	175.6	-62.9	0	0	0	0	110.4	M153	V136-M153 HydrophobicContact CG2-CB 3.84Å; V136-M153 HydrophobicContact CG2-CE 4.06Å; V136-M153 HydrophobicContact CG2-SD 4.49Å; V136-M153 PolarHBondContact N-O 3.44Å; V136-M153 PolarHBondContact O-N 2.86Å
137	S	96.3	Very high	96.5	Very high	80 Å²	80	83.3 Å²	83.3	56%	0.559	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	151.9	179.7	60.9	0	0	0	0	111.9	L151	S137-L151 VanDerWaalsContact CA-O 3.29Å; S137-L151 WeakPolarHBondContact CA-O 3.36Å
138	T	96.1	Very high	96.6	Very high	43 Å²	43	79.6 Å²	79.6	26%	0.264	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-72	161.3	163.3	61.7	0	0	0	0	109.9	L151 M153	T138-L151 HydrophobicContact CG2-CB 3.95Å; T138-L151 HydrophobicContact CG2-CD1 4.27Å; T138-L151 PolarHBondContact N-O 3.45Å; T138-L151 PolarHBondContact OG1-N 3.38Å; T138-L151 VanDerWaalsContact OG1-N 3.15Å; T138-M153 HydrophobicContact CG2-CE 4.17Å
139	N	97.4	Very high	96.8	Very high	148 Å²	148	79 Å²	79	79%	0.791	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-55.9	153.9	158.3	-68.3	-31.3	0	0	0	109.8	I141	N139-I141 PolarHBondContact O-N 3.08Å
140	L	97.9	Very high	96.8	Very high	74 Å²	74	73.2 Å²	73.2	39%	0.387	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-61.2	124.1	171.2	-176.2	71.6	0	0	0	109.8	F115 G118 F148 I150	F115-L140 HydrophobicContact CE2-CD1 4Å; F115-L140 HydrophobicContact CZ-CD1 3.66Å; G118-L140 WeakPolarHBondContact O-CD2 3.23Å; L140-F148 HydrophobicContact CD1-CB 3.93Å; L140-F148 HydrophobicContact CD1-CD1 4.19Å; L140-F148 HydrophobicContact CD1-CG 4.32Å; L140-F148 HydrophobicContact CD2-CD1 3.63Å; L140-F148 HydrophobicContact CD2-CE1 3.88Å; L140-F148 HydrophobicContact CD2-CG 4.27Å; L140-F148 HydrophobicContact CG-CB 4.39Å; L140-F148 HydrophobicContact CG-CD1 3.73Å; L140-F148 HydrophobicContact CG-CE1 4.39Å; L140-F148 HydrophobicContact CG-CG 4.34Å; L140-I150 HydrophobicContact CD1-CB 4.47Å
141	I	98.3	Very high	96.8	Very high	63 Å²	63	70.7 Å²	70.7	32%	0.323	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.9	-177.2	-60.1	165.3	0	0	0	108.7	N139 F148 Q149 L151	N139-I141 PolarHBondContact O-N 3.08Å; I141-F148 CarbonylContact O-C 3.58Å; I141-F148 VanDerWaalsContact O-CA 3.23Å; I141-F148 WeakPolarHBondContact O-CA 3.43Å; I141-Q149 HydrophobicContact CB-CG 3.62Å; I141-Q149 WeakPolarHBondContact CB-O 3.43Å; I141-Q149 HydrophobicContact CD1-CG 4.05Å; I141-Q149 HydrophobicContact CG1-CG 4.39Å; I141-Q149 HydrophobicContact CG2-CG 3.84Å; I141-Q149 PolarHBondContact N-O 2.62Å; I141-Q149 PolarHBondContact O-N 3.16Å; I141-L151 HydrophobicContact CD1-CD1 4.23Å
142	R	98.1	Very high	96.9	Very high	182 Å²	182	68.5 Å²	68.5	69%	0.687	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	122	172.7	-174.4	-176.7	-66.8	-99.9	1.5	109.2	F148	R142-F148 HydrophobicContact CB-CD1 4.21Å; R142-F148 HydrophobicContact CB-CE1 4.03Å; R142-F148 HydrophobicContact CG-CE1 4.1Å
143	N	97.5	Very high	96.9	Very high	52 Å²	52	64.9 Å²	64.9	28%	0.278	37%	0.365	S	S	.	.			trans	-79.4	-19.4	-174.3	-66.6	-22.1	0	0	0	113.8	D145 T147 Q149	N143-D145 VanDerWaalsContact C-N 3.34Å; N143-D145 WeakPolarHBondContact CB-OD1 3.49Å; N143-T147 WeakPolarHBondContact CB-O 3.33Å; N143-T147 PolarHBondContact N-O 3.43Å; N143-T147 VanDerWaalsContact N-O 3.07Å; N143-T147 PolarHBondContact ND2-OG1 3.15Å; N143-Q149 PolarHBondContact OD1-NE2 3.07Å
144	G	96.8	Very high	96.9	Very high	68 Å²	68	61.7 Å²	61.7	70%	0.701	34%	0.338	S	S	*	.	S	Bend	trans	89.1	-4.6	-176.7	0	0	0	0	0	114.4
145	D	97.1	Very high	97	Very high	96 Å²	96	64.7 Å²	64.7	51%	0.513	34%	0.343	S	S	.	.	S	Bend	trans	-111.9	24	179.6	67.1	-5	0	0	0	112.8	N143 T147	N143-D145 VanDerWaalsContact C-N 3.34Å; N143-D145 WeakPolarHBondContact CB-OD1 3.49Å; D145-T147 VanDerWaalsContact C-N 3.28Å; D145-T147 PolarHBondContact O-N 3.02Å; D145-T147 WeakPolarHBondContact OD1-CB 3.49Å; D145-T147 PolarHBondContact OD1-N 3.36Å; D145-T147 PolarHBondContact OD1-OG1 3.35Å
146	W	95.9	Very high	96.7	Very high	147 Å²	147	63 Å²	63	56%	0.557	33%	0.332	S	S	*	.	S	Bend	trans	65.2	24.3	-172.9	-64.6	67.7	0	0	0	114.8	T83 R86 Y116	T83-W146 HydrophobicContact CG2-CH2 4.11Å; T83-W146 HydrophobicContact CG2-CZ3 4.12Å; R86-W146 PolarHBondContact NH1-O 3.21Å; Y116-W146 WeakPolarHBondContact CD2-O 3.43Å; Y116-W146 HydrophobicContact CE2-CE3 4.16Å
147	T	98.3	Very high	96.4	Very high	13 Å²	13	64.8 Å²	64.8	8%	0.08	34%	0.343	C	S	.	.			trans	-122.6	164.9	166.8	70.1	0	0	0	0	111.9	F115 N143 D145	F115-T147 CarbonylContact O-C 3.59Å; F115-T147 WeakPolarHBondContact O-CA 3.45Å; N143-T147 WeakPolarHBondContact CB-O 3.33Å; N143-T147 PolarHBondContact N-O 3.43Å; N143-T147 VanDerWaalsContact N-O 3.07Å; N143-T147 PolarHBondContact ND2-OG1 3.15Å; D145-T147 VanDerWaalsContact C-N 3.28Å; D145-T147 PolarHBondContact O-N 3.02Å; D145-T147 WeakPolarHBondContact OD1-CB 3.49Å; D145-T147 PolarHBondContact OD1-N 3.36Å; D145-T147 PolarHBondContact OD1-OG1 3.35Å
148	F	98.6	Very high	96	Very high	15 Å²	15	63.8 Å²	63.8	7%	0.066	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	161.3	176.4	-64	-88	0	0	0	110.8	D114 F115 Y116 L140 I141 R142	D114-F148 PolarHBondContact N-O 3.33Å; D114-F148 VanDerWaalsContact N-O 3.12Å; F115-F148 WeakPolarHBondContact CD1-O 3.42Å; F115-F148 HydrophobicContact CD2-CB 4.12Å; F115-F148 HydrophobicContact CE1-CB 4.28Å; F115-F148 HydrophobicContact CE2-CB 3.72Å; F115-F148 HydrophobicContact CZ-CB 3.8Å; F115-F148 PolarHBondContact N-O 3.1Å; F115-F148 PolarHBondContact O-N 3.42Å; Y116-F148 AromaticContact CD2-CD2 3.96Å; Y116-F148 HydrophobicContact CD2-CD2 3.96Å; Y116-F148 AromaticContact CD2-CE2 3.53Å; Y116-F148 HydrophobicContact CD2-CE2 3.53Å; Y116-F148 AromaticContact CE2-CE2 3.81Å; Y116-F148 HydrophobicContact CE2-CE2 3.81Å; Y116-F148 HydrophobicContact CG-CE2 4.48Å; L140-F148 HydrophobicContact CD1-CB 3.93Å; L140-F148 HydrophobicContact CD1-CD1 4.19Å; L140-F148 HydrophobicContact CD1-CG 4.32Å; L140-F148 HydrophobicContact CD2-CD1 3.63Å; L140-F148 HydrophobicContact CD2-CE1 3.88Å; L140-F148 HydrophobicContact CD2-CG 4.27Å; L140-F148 HydrophobicContact CG-CB 4.39Å; L140-F148 HydrophobicContact CG-CD1 3.73Å; L140-F148 HydrophobicContact CG-CE1 4.39Å; L140-F148 HydrophobicContact CG-CG 4.34Å; I141-F148 CarbonylContact O-C 3.58Å; I141-F148 VanDerWaalsContact O-CA 3.23Å; I141-F148 WeakPolarHBondContact O-CA 3.43Å; R142-F148 HydrophobicContact CB-CD1 4.21Å; R142-F148 HydrophobicContact CB-CE1 4.03Å; R142-F148 HydrophobicContact CG-CE1 4.1Å
149	Q	98.6	Very high	95.7	Very high	48 Å²	48	68.7 Å²	68.7	22%	0.224	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	155.9	166.9	65.6	-178.5	-63.1	0	0	111	H111 V112 T113 I141 N143	H111-Q149 PolarHBondContact NE2-OE1 2.91Å; V112-Q149 CarbonylContact O-C 3.57Å; V112-Q149 WeakPolarHBondContact O-CA 3.31Å; V112-Q149 WeakPolarHBondContact O-CB 3.21Å; T113-Q149 HydrophobicContact CG2-CB 4.07Å; I141-Q149 HydrophobicContact CB-CG 3.62Å; I141-Q149 WeakPolarHBondContact CB-O 3.43Å; I141-Q149 HydrophobicContact CD1-CG 4.05Å; I141-Q149 HydrophobicContact CG1-CG 4.39Å; I141-Q149 HydrophobicContact CG2-CG 3.84Å; I141-Q149 PolarHBondContact N-O 2.62Å; I141-Q149 PolarHBondContact O-N 3.16Å; N143-Q149 PolarHBondContact OD1-NE2 3.07Å
150	I	98.6	Very high	95.5	Very high	22 Å²	22	71.6 Å²	71.6	11%	0.113	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	146.8	174.7	-168.5	168.6	0	0	0	109.5	V112 F115 I120 V122 L140 V152	V112-I150 HydrophobicContact CB-CG2 3.97Å; V112-I150 HydrophobicContact CG2-CG2 4.43Å; V112-I150 PolarHBondContact N-O 2.94Å; V112-I150 PolarHBondContact O-N 3.44Å; F115-I150 HydrophobicContact CE1-CG2 4.09Å; F115-I150 HydrophobicContact CZ-CG2 4.05Å; I120-I150 HydrophobicContact CG2-CG2 4.22Å; V122-I150 HydrophobicContact CG2-CG2 4.4Å; L140-I150 HydrophobicContact CD1-CB 4.47Å; I150-V152 HydrophobicContact CD1-CG2 4.4Å; I150-V152 HydrophobicContact CG1-CG2 4.3Å
151	L	97.9	Very high	95.3	Very high	43 Å²	43	71.2 Å²	71.2	23%	0.225	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126	171	-65.9	81.6	0	0	0	108	V109 S137 T138 I141	V109-L151 HydrophobicContact CG1-CB 4.36Å; V109-L151 HydrophobicContact CG1-CD2 4.01Å; V109-L151 HydrophobicContact CG1-CG 4.47Å; S137-L151 VanDerWaalsContact CA-O 3.29Å; S137-L151 WeakPolarHBondContact CA-O 3.36Å; T138-L151 HydrophobicContact CG2-CB 3.95Å; T138-L151 HydrophobicContact CG2-CD1 4.27Å; T138-L151 PolarHBondContact N-O 3.45Å; T138-L151 PolarHBondContact OG1-N 3.38Å; T138-L151 VanDerWaalsContact OG1-N 3.15Å; I141-L151 HydrophobicContact CD1-CD1 4.23Å
152	V	97.9	Very high	95.1	Very high	8 Å²	8	70 Å²	70	5%	0.048	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	117.8	173.7	-175.1	0	0	0	0	108.1	C110 V122 W124 V135 I150	C110-V152 WeakPolarHBondContact CB-O 3.43Å; C110-V152 PolarHBondContact N-O 2.97Å; C110-V152 PolarHBondContact O-N 3.38Å; V122-V152 HydrophobicContact CB-CB 4.34Å; V122-V152 HydrophobicContact CB-CG2 3.77Å; V122-V152 HydrophobicContact CG1-CB 3.82Å; V122-V152 HydrophobicContact CG1-CG1 4.21Å; V122-V152 HydrophobicContact CG1-CG2 3.77Å; V122-V152 HydrophobicContact CG2-CG2 4.18Å; W124-V152 PolarHBondContact NE1-O 2.88Å; V135-V152 HydrophobicContact CG1-CG1 3.67Å; I150-V152 HydrophobicContact CD1-CG2 4.4Å; I150-V152 HydrophobicContact CG1-CG2 4.3Å
153	M	96.1	Very high	95.1	Very high	30 Å²	30	63.5 Å²	63.5	15%	0.148	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.3	-169.7	-59.9	160.1	-85.3	0	0	109	L108 V109 V135 V136 T138	L108-M153 CarbonylContact O-C 3.55Å; L108-M153 VanDerWaalsContact O-CA 3.23Å; L108-M153 WeakPolarHBondContact O-CA 3.47Å; V109-M153 HydrophobicContact CB-CG 4.43Å; V109-M153 HydrophobicContact CG1-CG 4.08Å; V109-M153 HydrophobicContact CG2-CG 4.1Å; V135-M153 CarbonylContact C-O 3.56Å; V135-M153 VanDerWaalsContact CA-O 3.31Å; V135-M153 WeakPolarHBondContact CA-O 3.45Å; V136-M153 HydrophobicContact CG2-CB 3.84Å; V136-M153 HydrophobicContact CG2-CE 4.06Å; V136-M153 HydrophobicContact CG2-SD 4.49Å; V136-M153 PolarHBondContact N-O 3.44Å; V136-M153 PolarHBondContact O-N 2.86Å; T138-M153 HydrophobicContact CG2-CE 4.17Å
154	L	95.9	Very high	95.1	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.021	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.5	174.4	174.8	67.1	0	0	0	108.8	L107 L108 W124 E131 V135 Y164	L107-L154 CarbonylContact C-O 3.52Å; L107-L154 WeakPolarHBondContact CA-O 3.3Å; L108-L154 PolarHBondContact N-O 3.34Å; L108-L154 PolarHBondContact O-N 3.19Å; W124-L154 HydrophobicContact CB-CD2 4.17Å; W124-L154 HydrophobicContact CD2-CB 3.97Å; W124-L154 HydrophobicContact CD2-CD2 4.1Å; W124-L154 HydrophobicContact CE3-CD2 4.24Å; W124-L154 HydrophobicContact CG-CB 3.93Å; W124-L154 HydrophobicContact CG-CD2 4.1Å; W124-L154 HydrophobicContact CG-CG 4.47Å; W124-L154 HydrophobicContact CZ2-CB 4.44Å; E131-L154 HydrophobicContact CB-CD1 4.21Å; V135-L154 HydrophobicContact CG2-CD1 3.73Å; L154-Y164 HydrophobicContact CD2-CD1 3.71Å; L154-Y164 HydrophobicContact CD2-CE1 3.98Å
155	E	93.2	Very high	95.2	Very high	96 Å²	96	60.1 Å²	60.1	45%	0.449	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	124.6	164.4	-173.6	175.1	-176.4	0	0	110.2	H105 L107 G134	H105-E155 HydrophobicContact CB-CG 4.32Å; H105-E155 IonicContact CE1-OE1 3.43Å; H105-E155 PolarHBondContact CE1-OE1 2.83Å; H105-E155 IonicContact CG-OE1 3.48Å; H105-E155 VanDerWaalsContact ND1-CD 3.3Å; H105-E155 IonicContact ND1-OE1 2.67Å; H105-E155 PolarHBondContact ND1-OE1 2.85Å; H105-E155 IonicContact ND1-OE2 3.74Å; L107-E155 HydrophobicContact CD2-CB 4.09Å; G134-E155 PolarHBondContact O-N 2.88Å
156	M	88.6	Confident	95.2	Very high	15 Å²	15	55.5 Å²	55.5	7%	0.074	29%	0.293	C	S	.	.			trans	-130.4	149.9	-174.1	58.5	164.2	178.3	0	0	112.8	P96 N106 L108 P158 Y164 W181	P96-M156 HydrophobicContact CB-CE 4.38Å; N106-M156 HydrophobicContact CB-CG 4.19Å; N106-M156 WeakPolarHBondContact CB-O 3.38Å; N106-M156 WeakPolarHBondContact O-CG 3.32Å; N106-M156 PolarHBondContact O-N 2.91Å; L108-M156 HydrophobicContact CB-CE 3.9Å; L108-M156 HydrophobicContact CB-CG 4.38Å; L108-M156 HydrophobicContact CB-SD 3.84Å; L108-M156 HydrophobicContact CD1-CE 4.07Å; L108-M156 HydrophobicContact CD1-SD 4.47Å; M156-P158 HydrophobicContact SD-CB 4.42Å; M156-P158 HydrophobicContact SD-CG 4.34Å; M156-Y164 HydrophobicContact CB-CE1 3.83Å; M156-W181 HydrophobicContact CE-CH2 3.94Å; M156-W181 HydrophobicContact CE-CZ2 4.37Å; M156-W181 HydrophobicContact CE-CZ3 4.24Å; M156-W181 HydrophobicContact SD-CE3 4.44Å; M156-W181 HydrophobicContact SD-CH2 4Å; M156-W181 HydrophobicContact SD-CZ3 3.74Å
157	T	89.3	Confident	95.4	Very high	114 Å²	114	50.1 Å²	50.1	70%	0.699	27%	0.274	S	S	*	.			trans	-122.6	78.4	167.5	51.7	0	0	0	0	108.2	Q159	T157-Q159 PolarHBondContact O-N 3.26Å
158	P	87.1	Confident	95.4	Very high	59 Å²	59	49.5 Å²	49.5	38%	0.383	27%	0.27	S	S	.	.			trans	-65.3	132.3	-165.5	25.7	-34.5	0	0	0	111.9	M156 Y164 W181	M156-P158 HydrophobicContact SD-CB 4.42Å; M156-P158 HydrophobicContact SD-CG 4.34Å; P158-Y164 HydrophobicContact CB-CE2 4.37Å; P158-W181 HydrophobicContact CB-CH2 4.41Å; P158-W181 HydrophobicContact CB-CZ3 4.42Å
159	Q	91.5	Very high	95.4	Very high	145 Å²	145	52 Å²	52	68%	0.678	28%	0.282	S	S	*	.			trans	-107	156.8	170	-58	-171.5	15.5	0	0	110.4	T157 G161 D162	T157-Q159 PolarHBondContact O-N 3.26Å; Q159-G161 PolarHBondContact O-N 2.84Å; Q159-D162 PolarHBondContact N-OD2 3.4Å; Q159-D162 WeakPolarHBondContact O-CB 2.99Å; Q159-D162 PolarHBondContact O-N 2.76Å; Q159-D162 VanDerWaalsContact O-N 3.14Å
160	Q	92.4	Very high	95.4	Very high	209 Å²	209	50.4 Å²	50.4	98%	0.977	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	122.1	177.7	-175.2	174.7	6	0	0	110.1
161	G	92.9	Very high	95.3	Very high	67 Å²	67	53.1 Å²	53.1	69%	0.691	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.9	-4.2	-178.6	0	0	0	0	0	114.6	Q159	Q159-G161 PolarHBondContact O-N 2.84Å
162	D	95.3	Very high	95.3	Very high	36 Å²	36	51.7 Å²	51.7	19%	0.193	29%	0.285	C	S	.	.			trans	-64	139.9	169	-76.6	-19.4	0	0	0	110.9	L126 N127 Q159 Y164	L126-D162 HydrophobicContact CD1-CB 3.88Å; N127-D162 PolarHBondContact ND2-OD1 3.36Å; N127-D162 VanDerWaalsContact ND2-OD1 3.14Å; Q159-D162 PolarHBondContact N-OD2 3.4Å; Q159-D162 WeakPolarHBondContact O-CB 2.99Å; Q159-D162 PolarHBondContact O-N 2.76Å; Q159-D162 VanDerWaalsContact O-N 3.14Å; D162-Y164 HydrophobicContact CB-CD2 4.22Å; D162-Y164 HydrophobicContact CB-CE2 3.5Å; D162-Y164 PolarHBondContact OD2-OH 3.46Å
163	V	96.9	Very high	95.3	Very high	47 Å²	47	52.6 Å²	52.6	29%	0.285	29%	0.29	S	S	.	.			trans	-122.8	117.4	175.1	-178.7	0	0	0	0	108.8	N127 I165 E180	N127-V163 PolarHBondContact N-O 2.94Å; N127-V163 PolarHBondContact OD1-N 3.16Å; V163-I165 HydrophobicContact CG1-CG1 4.3Å; V163-E180 HydrophobicContact CG1-CG 3.45Å; V163-E180 VanDerWaalsContact CG1-CG 3.45Å
164	Y	97.6	Very high	95.4	Very high	6 Å²	6	59.4 Å²	59.4	2%	0.024	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.8	179.8	-64.5	-98.2	0	0	0	109.9	L108 F125 L126 L154 M156 P158 D162 E180 W181	L108-Y164 HydrophobicContact CD2-CD1 4.29Å; L108-Y164 HydrophobicContact CD2-CG 3.95Å; F125-Y164 CarbonylContact O-C 3.59Å; F125-Y164 WeakPolarHBondContact O-CA 3.36Å; L126-Y164 HydrophobicContact CD1-CD1 4.01Å; L126-Y164 HydrophobicContact CD1-CD2 4.25Å; L126-Y164 HydrophobicContact CD1-CE1 3.71Å; L126-Y164 HydrophobicContact CD1-CE2 3.95Å; L126-Y164 HydrophobicContact CD1-CG 4.28Å; L126-Y164 HydrophobicContact CD2-CE1 4.28Å; L126-Y164 HydrophobicContact CG-CE1 4.4Å; L154-Y164 HydrophobicContact CD2-CD1 3.71Å; L154-Y164 HydrophobicContact CD2-CE1 3.98Å; M156-Y164 HydrophobicContact CB-CE1 3.83Å; P158-Y164 HydrophobicContact CB-CE2 4.37Å; D162-Y164 HydrophobicContact CB-CD2 4.22Å; D162-Y164 HydrophobicContact CB-CE2 3.5Å; D162-Y164 PolarHBondContact OD2-OH 3.46Å; Y164-E180 CarbonylContact O-C 3.58Å; Y164-E180 WeakPolarHBondContact O-CA 3.4Å; Y164-W181 AromaticContact CD2-CE3 3.58Å; Y164-W181 HydrophobicContact CD2-CE3 3.58Å; Y164-W181 AromaticContact CD2-CZ3 3.68Å; Y164-W181 HydrophobicContact CD2-CZ3 3.68Å; Y164-W181 HydrophobicContact CE2-CE3 4.28Å; Y164-W181 AromaticContact CE2-CZ3 3.89Å; Y164-W181 HydrophobicContact CE2-CZ3 3.89Å; Y164-W181 HydrophobicContact CG-CE3 4.16Å; Y164-W181 PolarHBondContact N-O 2.99Å; Y164-W181 VanDerWaalsContact N-O 3.14Å; Y164-W181 PolarHBondContact O-N 3.46Å
165	I	98.4	Very high	95.5	Very high	42 Å²	42	63 Å²	63	22%	0.215	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	124.1	-179.4	-60.5	171.9	0	0	0	109.7	W124 F125 V163 T178 V179 E180	W124-I165 CarbonylContact C-O 3.56Å; W124-I165 WeakPolarHBondContact CA-O 3.03Å; W124-I165 VanDerWaalsContact CE3-O 3.31Å; F125-I165 HydrophobicContact CB-CB 4.26Å; F125-I165 PolarHBondContact N-O 3.08Å; F125-I165 PolarHBondContact O-N 2.78Å; V163-I165 HydrophobicContact CG1-CG1 4.3Å; I165-T178 HydrophobicContact CG2-CG2 3.91Å; I165-V179 WeakPolarHBondContact CA-O 3.47Å; I165-E180 HydrophobicContact CG1-CB 4.46Å; I165-E180 HydrophobicContact CG1-CG 4.37Å
166	C	98.6	Very high	95.7	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	120.1	162.8	-178.8	0	0	0	0	109.3	V94 C110 V122 W124 T178 V179	V94-C166 HydrophobicContact CG2-CB 3.6Å; C110-C166 HydrophobicContact CB-CB 3.62Å; C110-C166 WeakPolarHBondContact CB-SG 3.36Å; C110-C166 WeakPolarHBondContact SG-CB 3.16Å; C110-C166 CovalentContact SG-SG 2.03Å; C110-C166 PolarHBondContact SG-SG 3.1Å; V122-C166 VanDerWaalsContact CG1-SG 3.55Å; W124-C166 HydrophobicContact CE3-CB 4.18Å; W124-C166 HydrophobicContact CH2-CB 3.91Å; W124-C166 HydrophobicContact CZ2-CB 4.31Å; W124-C166 HydrophobicContact CZ3-CB 3.84Å; C166-T178 WeakPolarHBondContact O-CA 3.4Å; C166-V179 PolarHBondContact N-O 3.24Å; C166-V179 PolarHBondContact O-N 3.39Å
167	Q	98.8	Very high	96.2	Very high	34 Å²	34	62.6 Å²	62.6	16%	0.159	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.4	173.9	-171.5	-178.2	43.5	0	0	110.4	V122 R123 F125 P176 V177 T178	V122-Q167 CarbonylContact C-O 3.48Å; V122-Q167 WeakPolarHBondContact CA-O 3.25Å; R123-Q167 PolarHBondContact N-O 3.4Å; R123-Q167 PolarHBondContact O-N 3.15Å; F125-Q167 HydrophobicContact CD2-CB 4.2Å; F125-Q167 HydrophobicContact CE2-CB 3.79Å; F125-Q167 VanDerWaalsContact CE2-OE1 3.23Å; Q167-P176 HydrophobicContact CG-CB 3.78Å; Q167-V177 CarbonylContact C-O 3.55Å; Q167-V177 WeakPolarHBondContact CA-O 3.13Å; Q167-T178 HydrophobicContact CB-CG2 4.01Å; Q167-T178 HydrophobicContact CG-CG2 3.78Å
168	V	98.8	Very high	96.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123	-179.5	-179.8	0	0	0	0	110	P90 V92 V112 I120 V122 P176 V177	P90-V168 HydrophobicContact CB-CG1 4.5Å; P90-V168 HydrophobicContact CG-CG1 4Å; V92-V168 HydrophobicContact CG1-CG2 3.96Å; V92-V168 HydrophobicContact CG2-CB 4.09Å; V92-V168 HydrophobicContact CG2-CG1 4.47Å; V92-V168 HydrophobicContact CG2-CG2 3.69Å; V112-V168 HydrophobicContact CG1-CG1 4.15Å; V112-V168 HydrophobicContact CG1-CG2 4.48Å; V112-V168 HydrophobicContact CG2-CG2 3.82Å; I120-V168 HydrophobicContact CD1-CG1 3.76Å; I120-V168 HydrophobicContact CG1-CG1 4.05Å; V122-V168 HydrophobicContact CG1-CG2 4.25Å; V122-V168 HydrophobicContact CG2-CG2 4.25Å; V168-P176 WeakPolarHBondContact O-CA 3.33Å; V168-V177 PolarHBondContact N-O 2.93Å; V168-V177 PolarHBondContact O-N 3.48Å
169	E	98.8	Very high	97.1	Very high	66 Å²	66	60.4 Å²	60.4	31%	0.308	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.5	171	-60.8	-171.2	-175.5	0	0	109.9	I120 Q121 R123 P176	I120-E169 WeakPolarHBondContact CG1-O 3.47Å; Q121-E169 HydrophobicContact CB-CB 4.27Å; Q121-E169 PolarHBondContact N-O 3.47Å; Q121-E169 PolarHBondContact O-N 3.15Å; R123-E169 IonicContact CZ-OE1 3.69Å; R123-E169 IonicContact NH2-OE1 2.74Å; R123-E169 PolarHBondContact NH2-OE1 2.86Å; E169-P176 HydrophobicContact CG-CB 3.93Å; E169-P176 HydrophobicContact CG-CG 3.9Å
170	H	98.6	Very high	97.4	Very high	15 Å²	15	59.9 Å²	59.9	7%	0.069	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	144.3	-178.5	-177.9	-103.9	0	0	0	109.7	V88 P90 F115 Y116 P117 S119 I120 S172 L173	V88-H170 PolarHBondContact O-CE1 3.4Å; P90-H170 HydrophobicContact CG-CB 4.37Å; F115-H170 AromaticContact CD2-CD2 3.98Å; F115-H170 AromaticContact CD2-NE2 3.82Å; Y116-H170 VanDerWaalsContact C-CE1 3.45Å; Y116-H170 PolarHBondContact O-CE1 3.45Å; P117-H170 PolarHBondContact O-NE2 3.24Å; S119-H170 PolarHBondContact O-CD2 2.69Å; I120-H170 HydrophobicContact CD1-CB 4.39Å; I120-H170 HydrophobicContact CG1-CB 4.18Å; H170-S172 PolarHBondContact CE1-OG 2.97Å; H170-S172 VanDerWaalsContact ND1-CB 3.3Å; H170-S172 WeakPolarHBondContact ND1-CB 3.32Å; H170-S172 PolarHBondContact ND1-N 2.96Å; H170-S172 PolarHBondContact ND1-OG 2.66Å; H170-S172 PolarHBondContact O-N 3.38Å; H170-L173 HydrophobicContact CB-CD1 4.11Å; H170-L173 HydrophobicContact CB-CG 4.43Å; H170-L173 WeakPolarHBondContact O-CB 3.29Å; H170-L173 PolarHBondContact O-N 3.41Å
171	T	97.6	Very high	97.5	Very high	80 Å²	80	55.7 Å²	55.7	49%	0.491	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-13.2	-175.4	-173.5	0	0	0	0	114.7	R87 P117 L173	R87-T171 WeakPolarHBondContact CD-O 3.41Å; R87-T171 HydrophobicContact CG-CG2 4.49Å; R87-T171 PolarHBondContact NE-O 3.29Å; P117-T171 VanDerWaalsContact CD-CG2 3.48Å; P117-T171 HydrophobicContact CG-CG2 3.62Å; T171-L173 VanDerWaalsContact C-N 3.33Å
172	S	97.7	Very high	97.7	Very high	12 Å²	12	55.2 Å²	55.2	8%	0.084	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-6.1	173.6	74.9	0	0	0	0	114.6	V88 Q89 H170	V88-S172 PolarHBondContact O-OG 2.78Å; Q89-S172 VanDerWaalsContact CA-OG 3.26Å; Q89-S172 WeakPolarHBondContact CA-OG 3.49Å; Q89-S172 WeakPolarHBondContact CG-O 3.48Å; Q89-S172 WeakPolarHBondContact CG-OG 3.23Å; Q89-S172 PolarHBondContact NE2-O 3.3Å; H170-S172 PolarHBondContact CE1-OG 2.97Å; H170-S172 VanDerWaalsContact ND1-CB 3.3Å; H170-S172 WeakPolarHBondContact ND1-CB 3.32Å; H170-S172 PolarHBondContact ND1-N 2.96Å; H170-S172 PolarHBondContact ND1-OG 2.66Å; H170-S172 PolarHBondContact O-N 3.38Å
173	L	98.1	Very high	97.8	Very high	27 Å²	27	56.2 Å²	56.2	14%	0.141	30%	0.304	C	S	.	.			trans	-110.8	134.2	-175.8	-61.7	170.4	0	0	0	109	Q89 P90 H170 T171 S175 V177	Q89-L173 HydrophobicContact CB-CD2 4.15Å; Q89-L173 HydrophobicContact CG-CD2 3.8Å; P90-L173 HydrophobicContact CG-CD1 3.84Å; P90-L173 HydrophobicContact CG-CG 4.44Å; H170-L173 HydrophobicContact CB-CD1 4.11Å; H170-L173 HydrophobicContact CB-CG 4.43Å; H170-L173 WeakPolarHBondContact O-CB 3.29Å; H170-L173 PolarHBondContact O-N 3.41Å; T171-L173 VanDerWaalsContact C-N 3.33Å; L173-S175 VanDerWaalsContact C-N 3.29Å; L173-S175 WeakPolarHBondContact CB-O 3.12Å; L173-V177 HydrophobicContact CD1-CB 4.27Å; L173-V177 HydrophobicContact CD1-CG2 3.71Å; L173-V177 HydrophobicContact CD2-CG2 3.91Å; L173-V177 HydrophobicContact CG-CG2 4.43Å
174	D	97.5	Very high	97.9	Very high	173 Å²	173	56.7 Å²	56.7	93%	0.925	31%	0.305	S	S	*	.	S	Bend	trans	-74	-25.1	175.3	-60.7	-44.4	0	0	0	112.1
175	S	97.7	Very high	97.9	Very high	81 Å²	81	59.6 Å²	59.6	57%	0.566	32%	0.321	S	S	*	.	S	Bend	trans	-143.9	155	176	56.5	0	0	0	0	110.6	L173 V177	L173-S175 VanDerWaalsContact C-N 3.29Å; L173-S175 WeakPolarHBondContact CB-O 3.12Å; S175-V177 PolarHBondContact O-N 3.37Å
176	P	97.9	Very high	97.9	Very high	55 Å²	55	60.8 Å²	60.8	36%	0.357	33%	0.328	S	S	.	.			trans	-59.4	137.7	179.5	-21.8	32.4	0	0	0	112.2	Q167 V168 E169	Q167-P176 HydrophobicContact CG-CB 3.78Å; V168-P176 WeakPolarHBondContact O-CA 3.33Å; E169-P176 HydrophobicContact CG-CB 3.93Å; E169-P176 HydrophobicContact CG-CG 3.9Å
177	V	98.3	Very high	97.8	Very high	47 Å²	47	64.8 Å²	64.8	29%	0.285	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.4	170.9	168.7	0	0	0	0	108.6	V92 Q167 V168 L173 S175 V179	V92-V177 HydrophobicContact CB-CG1 4.29Å; V92-V177 HydrophobicContact CG2-CB 4.46Å; V92-V177 HydrophobicContact CG2-CG1 3.83Å; Q167-V177 CarbonylContact C-O 3.55Å; Q167-V177 WeakPolarHBondContact CA-O 3.13Å; V168-V177 PolarHBondContact N-O 2.93Å; V168-V177 PolarHBondContact O-N 3.48Å; L173-V177 HydrophobicContact CD1-CB 4.27Å; L173-V177 HydrophobicContact CD1-CG2 3.71Å; L173-V177 HydrophobicContact CD2-CG2 3.91Å; L173-V177 HydrophobicContact CG-CG2 4.43Å; S175-V177 PolarHBondContact O-N 3.37Å; V177-V179 HydrophobicContact CG1-CG2 4.36Å
178	T	98.1	Very high	97.8	Very high	86 Å²	86	67 Å²	67	53%	0.528	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	138.3	174.2	49.2	0	0	0	0	109.8	I165 C166 Q167	I165-T178 HydrophobicContact CG2-CG2 3.91Å; C166-T178 WeakPolarHBondContact O-CA 3.4Å; Q167-T178 HydrophobicContact CB-CG2 4.01Å; Q167-T178 HydrophobicContact CG-CG2 3.78Å
179	V	98.3	Very high	97.7	Very high	40 Å²	40	72.2 Å²	72.2	24%	0.242	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	123.5	173.3	-179.9	0	0	0	0	108	V92 V94 I165 C166 V177	V92-V179 HydrophobicContact CB-CG2 3.74Å; V92-V179 HydrophobicContact CG1-CB 4.11Å; V92-V179 HydrophobicContact CG1-CG2 3.57Å; V94-V179 HydrophobicContact CB-CG1 3.99Å; V94-V179 HydrophobicContact CG2-CB 3.85Å; V94-V179 HydrophobicContact CG2-CG1 3.7Å; I165-V179 WeakPolarHBondContact CA-O 3.47Å; C166-V179 PolarHBondContact N-O 3.24Å; C166-V179 PolarHBondContact O-N 3.39Å; V177-V179 HydrophobicContact CG1-CG2 4.36Å
180	E	97.4	Very high	97.6	Very high	134 Å²	134	72.7 Å²	72.7	63%	0.626	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	147.8	-180	-170.7	176.9	122.4	0	0	110.9	V163 Y164 I165	V163-E180 HydrophobicContact CG1-CG 3.45Å; V163-E180 VanDerWaalsContact CG1-CG 3.45Å; Y164-E180 CarbonylContact O-C 3.58Å; Y164-E180 WeakPolarHBondContact O-CA 3.4Å; I165-E180 HydrophobicContact CG1-CB 4.46Å; I165-E180 HydrophobicContact CG1-CG 4.37Å
181	W	94	Very high	97.5	Very high	122 Å²	122	77.9 Å²	77.9	46%	0.462	43%	0.428	S	S	.	.			trans	-132	0	167.5	177	85.7	0	0	0	110.8	V94 L108 M156 P158 Y164	V94-W181 HydrophobicContact CB-CB 4.43Å; V94-W181 HydrophobicContact CG1-CB 3.56Å; V94-W181 HydrophobicContact CG1-CG 4.17Å; L108-W181 HydrophobicContact CD1-CB 4.24Å; L108-W181 HydrophobicContact CD1-CD2 3.5Å; L108-W181 VanDerWaalsContact CD1-CD2 3.5Å; L108-W181 HydrophobicContact CD1-CE3 3.93Å; L108-W181 HydrophobicContact CD1-CG 3.62Å; L108-W181 HydrophobicContact CD1-CZ2 4.46Å; L108-W181 HydrophobicContact CD2-CB 4.05Å; L108-W181 HydrophobicContact CD2-CD2 4.08Å; L108-W181 HydrophobicContact CD2-CE3 3.87Å; L108-W181 HydrophobicContact CD2-CG 4.17Å; L108-W181 HydrophobicContact CG-CD2 4.47Å; M156-W181 HydrophobicContact CE-CH2 3.94Å; M156-W181 HydrophobicContact CE-CZ2 4.37Å; M156-W181 HydrophobicContact CE-CZ3 4.24Å; M156-W181 HydrophobicContact SD-CE3 4.44Å; M156-W181 HydrophobicContact SD-CH2 4Å; M156-W181 HydrophobicContact SD-CZ3 3.74Å; P158-W181 HydrophobicContact CB-CH2 4.41Å; P158-W181 HydrophobicContact CB-CZ3 4.42Å; Y164-W181 AromaticContact CD2-CE3 3.58Å; Y164-W181 HydrophobicContact CD2-CE3 3.58Å; Y164-W181 AromaticContact CD2-CZ3 3.68Å; Y164-W181 HydrophobicContact CD2-CZ3 3.68Å; Y164-W181 HydrophobicContact CE2-CE3 4.28Å; Y164-W181 AromaticContact CE2-CZ3 3.89Å; Y164-W181 HydrophobicContact CE2-CZ3 3.89Å; Y164-W181 HydrophobicContact CG-CE3 4.16Å; Y164-W181 PolarHBondContact N-O 2.99Å; Y164-W181 VanDerWaalsContact N-O 3.14Å; Y164-W181 PolarHBondContact O-N 3.46Å

Retrieved 181 of 181 residues in 200.7 ms (Link to these results)

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