X6RK39_HUMAN Loading...

Thymocyte selection associated family member 2

AlphaFold DB , UniProt , Accession X6RK39, Species HUMAN (Homo sapiens, Human), Gene THEMIS2, Length 246 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] 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
1M67.8Low90.8Very high151 Ų15178.7 Ų78.774%0.74439%0.393SS*.  0148.90-175.4169.6174.100105.7E95M1-E95 HydrophobicContact CB-CG 4.22Å; M1-E95 PolarHBondContact N-OE1 2.9Å; M1-E95 WeakPolarHBondContact O-CG 3.42Å
2E87.2Confident90.8Very high164 Ų16479.7 Ų79.777%0.76642%0.422SS*.  trans-66.9142.9175.9-71.2-166.1156.500110.2
3P94Very high90.9Very high66 Ų6675.3 Ų75.343%0.42940%0.399SS..  trans-57.6138.1172.6-22.333.3000110.5C25 D93 V94P3-C25 HydrophobicContact CB-CB 3.87Å; P3-C25 HydrophobicContact CG-CB 3.95Å; P3-D93 HydrophobicContact CB-CB 4.04Å; P3-V94 WeakPolarHBondContact CA-O 3.29Å
4V96.6Very high91Very high42 Ų4276.6 Ų76.626%0.25541%0.406SS..EExtended strand (participates in β ladder)trans-126.1152.1176.4-640000109.9L6 F9 D93 V94V4-L6 PolarHBondContact O-N 2.85Å; V4-F9 HydrophobicContact CG2-CB 3.95Å; V4-D93 CarbonylContact O-C 3.6Å; V4-D93 WeakPolarHBondContact O-CA 3.35Å; V4-V94 HydrophobicContact CG2-CG2 4.49Å; V4-V94 PolarHBondContact N-O 2.98Å; V4-V94 PolarHBondContact O-N 3.18Å
5P96.3Very high90.8Very high56 Ų5677.3 Ų77.336%0.36442%0.417SS..EExtended strand (participates in β ladder)trans-55.4137.5173.2-25.735.1000111.1Q7 D8 F9P5-Q7 PolarHBondContact O-N 2.85Å; P5-Q7 VanDerWaalsContact O-N 3.13Å; P5-D8 HydrophobicContact CB-CB 4.43Å; P5-D8 PolarHBondContact O-N 3.48Å; P5-F9 PolarHBondContact O-N 3.27Å
6L94.3Very high90.8Very high11 Ų1177.9 Ų77.96%0.05844%0.436CS..Hα-helixtrans-53.8-38.4-179.4176.663.7000111.7V4 D8 F9 V10 L22 I86 L90 V92 V94V4-L6 PolarHBondContact O-N 2.85Å; L6-D8 VanDerWaalsContact C-N 3.31Å; L6-D8 PolarHBondContact O-N 3.21Å; L6-F9 PolarHBondContact O-N 3.04Å; L6-V10 HydrophobicContact CD1-CG2 4.17Å; L6-V10 HydrophobicContact CG-CG2 4.44Å; L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.36Å; L6-V10 PolarHBondContact O-N 2.99Å; L6-L22 HydrophobicContact CD1-CD1 3.98Å; L6-I86 HydrophobicContact CD2-CG2 3.95Å; L6-L90 HydrophobicContact CD2-CB 4Å; L6-V92 HydrophobicContact CB-CG2 3.87Å; L6-V92 WeakPolarHBondContact CB-O 3.12Å; L6-V92 HydrophobicContact CD2-CG2 3.99Å; L6-V92 PolarHBondContact N-O 2.82Å; L6-V94 HydrophobicContact CB-CG1 4.34Å; L6-V94 HydrophobicContact CB-CG2 4.37Å; L6-V94 HydrophobicContact CD1-CG1 4.16Å; L6-V94 HydrophobicContact CD1-CG2 4.13Å
7Q92.5Very high90.8Very high76 Ų7675.3 Ų75.336%0.35542%0.424SS..Hα-helixtrans-59.7-42.6177.4-164.2179.642.100112P5 V10 R11 S88P5-Q7 PolarHBondContact O-N 2.85Å; P5-Q7 VanDerWaalsContact O-N 3.13Å; Q7-V10 PolarHBondContact O-N 2.85Å; Q7-R11 VanDerWaalsContact NE2-NH2 3.18Å; Q7-R11 VanDerWaalsContact O-CG 3.3Å; Q7-R11 WeakPolarHBondContact O-CG 3.23Å; Q7-R11 PolarHBondContact O-N 2.84Å; Q7-S88 WeakPolarHBondContact CA-O 3.41Å; Q7-S88 VanDerWaalsContact CB-O 3.3Å; Q7-S88 WeakPolarHBondContact CB-O 3.37Å
8D94.3Very high90.9Very high72 Ų7273.2 Ų73.239%0.38541%0.411SS..Hα-helixtrans-73.2-39-179.4-68.4-24.2000111.5P5 L6 V10 R11 A12P5-D8 HydrophobicContact CB-CB 4.43Å; P5-D8 PolarHBondContact O-N 3.48Å; L6-D8 VanDerWaalsContact C-N 3.31Å; L6-D8 PolarHBondContact O-N 3.21Å; D8-V10 VanDerWaalsContact C-N 3.35Å; D8-V10 PolarHBondContact O-N 3.23Å; D8-R11 PolarHBondContact O-N 2.66Å; D8-R11 IonicContact OD1-CZ 2.85Å; D8-R11 IonicContact OD1-NH1 3.83Å; D8-R11 PolarHBondContact OD1-NH1 2.65Å; D8-A12 PolarHBondContact O-N 2.8Å
9F94.1Very high91Very high21 Ų2173.1 Ų73.19%0.09241%0.414CS..Hα-helixtrans-55.4-50.4169.8178-93.7000111.2V4 P5 L6 R11 A12 L13 R20 L22 V94 D96V4-F9 HydrophobicContact CG2-CB 3.95Å; P5-F9 PolarHBondContact O-N 3.27Å; L6-F9 PolarHBondContact O-N 3.04Å; F9-R11 VanDerWaalsContact C-N 3.32Å; F9-R11 PolarHBondContact O-N 3.48Å; F9-A12 PolarHBondContact O-N 3.1Å; F9-L13 HydrophobicContact CE1-CB 4.38Å; F9-L13 HydrophobicContact CE1-CD1 4.14Å; F9-L13 HydrophobicContact CE1-CD2 4.02Å; F9-L13 HydrophobicContact CE1-CG 4.42Å; F9-L13 HydrophobicContact CZ-CD1 3.9Å; F9-L13 WeakPolarHBondContact O-CB 3.36Å; F9-L13 PolarHBondContact O-N 2.79Å; F9-R20 HydrophobicContact CZ-CB 4.27Å; F9-R20 HydrophobicContact CZ-CG 4.32Å; F9-L22 HydrophobicContact CD1-CD1 3.77Å; F9-L22 HydrophobicContact CD1-CD2 4.19Å; F9-L22 HydrophobicContact CD2-CD2 4.16Å; F9-L22 HydrophobicContact CE1-CD1 3.73Å; F9-L22 HydrophobicContact CE1-CD2 3.79Å; F9-L22 HydrophobicContact CE1-CG 4.21Å; F9-L22 HydrophobicContact CE2-CD2 3.75Å; F9-L22 HydrophobicContact CG-CD1 4.46Å; F9-L22 HydrophobicContact CG-CD2 4.37Å; F9-L22 HydrophobicContact CZ-CD1 4.38Å; F9-L22 HydrophobicContact CZ-CD2 3.57Å; F9-L22 HydrophobicContact CZ-CG 4.4Å; F9-V94 HydrophobicContact CB-CG2 3.98Å; F9-V94 HydrophobicContact CG-CG2 4.3Å; F9-D96 HydrophobicContact CE2-CB 4.05Å
10V91.1Very high91.1Very high41 Ų4173.1 Ų73.125%0.24841%0.407CS..Hα-helixtrans-64.1-35.8-179.2172.80000112L6 Q7 D8 V55L6-V10 HydrophobicContact CD1-CG2 4.17Å; L6-V10 HydrophobicContact CG-CG2 4.44Å; L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.36Å; L6-V10 PolarHBondContact O-N 2.99Å; Q7-V10 PolarHBondContact O-N 2.85Å; D8-V10 VanDerWaalsContact C-N 3.35Å; D8-V10 PolarHBondContact O-N 3.23Å; V10-V55 HydrophobicContact CG1-CG1 4.35Å
11R90.1Very high91.3Very high166 Ų16670.2 Ų70.263%0.62639%0.391SS*.Hα-helixtrans-65.2-37.2175.6-76.6172.8-176.2146.5-0.9112.8Q7 D8 F9Q7-R11 VanDerWaalsContact NE2-NH2 3.18Å; Q7-R11 VanDerWaalsContact O-CG 3.3Å; Q7-R11 WeakPolarHBondContact O-CG 3.23Å; Q7-R11 PolarHBondContact O-N 2.84Å; D8-R11 PolarHBondContact O-N 2.66Å; D8-R11 IonicContact OD1-CZ 2.85Å; D8-R11 IonicContact OD1-NH1 3.83Å; D8-R11 PolarHBondContact OD1-NH1 2.65Å; F9-R11 VanDerWaalsContact C-N 3.32Å; F9-R11 PolarHBondContact O-N 3.48Å
12A91.9Very high92.6Very high90 Ų9063 Ų6374%0.74436%0.356SS*.Hα-helixtrans-89.4-10.8-178.100000113.8D8 F9 D14D8-A12 PolarHBondContact O-N 2.8Å; F9-A12 PolarHBondContact O-N 3.1Å; A12-D14 PolarHBondContact O-N 3.02Å
13L91.9Very high93Very high23 Ų2360 Ų6012%0.1234%0.338CS..  trans-69.2121.4-175.4176.365.2000112F9 P15 L18 R20 V52 V55F9-L13 HydrophobicContact CE1-CB 4.38Å; F9-L13 HydrophobicContact CE1-CD1 4.14Å; F9-L13 HydrophobicContact CE1-CD2 4.02Å; F9-L13 HydrophobicContact CE1-CG 4.42Å; F9-L13 HydrophobicContact CZ-CD1 3.9Å; F9-L13 WeakPolarHBondContact O-CB 3.36Å; F9-L13 PolarHBondContact O-N 2.79Å; L13-P15 WeakPolarHBondContact O-CD 3.32Å; L13-L18 HydrophobicContact CD1-CD2 4.38Å; L13-L18 HydrophobicContact CD2-CD2 4Å; L13-R20 HydrophobicContact CD1-CG 4.01Å; L13-V52 HydrophobicContact CD2-CG1 4.35Å; L13-V55 HydrophobicContact CD2-CG2 3.55Å
14D91.5Very high93.1Very high93 Ų9357.1 Ų57.150%0.49732%0.319SS..  trans-74.1118.5164173.715.1000110.2A12 A16 S17A12-D14 PolarHBondContact O-N 3.02Å; D14-A16 PolarHBondContact O-N 3.35Å; D14-A16 WeakPolarHBondContact OD1-CB 3.47Å; D14-A16 PolarHBondContact OD1-N 2.93Å; D14-S17 VanDerWaalsContact O-CB 3.3Å; D14-S17 WeakPolarHBondContact O-CB 3.27Å; D14-S17 PolarHBondContact O-N 3.17Å; D14-S17 PolarHBondContact O-OG 3.31Å
15P88.6Confident93Very high87 Ų8756.4 Ų56.457%0.56532%0.315SS*.G310 helixtrans-59.5-28.2178.8-23.934.7000114.2L13 S17 L18L13-P15 WeakPolarHBondContact O-CD 3.32Å; P15-S17 PolarHBondContact O-N 3.12Å; P15-L18 WeakPolarHBondContact O-CB 3.01Å; P15-L18 WeakPolarHBondContact O-CG 3.41Å; P15-L18 PolarHBondContact O-N 2.73Å
16A90.5Very high92.9Very high88 Ų8856 Ų5673%0.72731%0.314SS*.G310 helixtrans-70.2-16.717700000112.5D14 L18D14-A16 PolarHBondContact O-N 3.35Å; D14-A16 WeakPolarHBondContact OD1-CB 3.47Å; D14-A16 PolarHBondContact OD1-N 2.93Å; A16-L18 VanDerWaalsContact C-N 3.3Å; A16-L18 PolarHBondContact O-N 3Å
17S91.6Very high92.7Very high33 Ų3357.8 Ų57.823%0.23133%0.334CS..G310 helixtrans-87.73.2-179860000114.1D14 P15 R20D14-S17 VanDerWaalsContact O-CB 3.3Å; D14-S17 WeakPolarHBondContact O-CB 3.27Å; D14-S17 PolarHBondContact O-N 3.17Å; D14-S17 PolarHBondContact O-OG 3.31Å; P15-S17 PolarHBondContact O-N 3.12Å; S17-R20 PolarHBondContact O-NE 3.43Å; S17-R20 PolarHBondContact OG-NE 3.18Å; S17-R20 PolarHBondContact OG-NH2 2.92Å
18L92.3Very high92.5Very high38 Ų3859.1 Ų59.120%0.19935%0.348CS..  trans-75.7151.7176.1-69.8172000112L13 P15 A16 R20 V52 V55L13-L18 HydrophobicContact CD1-CD2 4.38Å; L13-L18 HydrophobicContact CD2-CD2 4Å; P15-L18 WeakPolarHBondContact O-CB 3.01Å; P15-L18 WeakPolarHBondContact O-CG 3.41Å; P15-L18 PolarHBondContact O-N 2.73Å; A16-L18 VanDerWaalsContact C-N 3.3Å; A16-L18 PolarHBondContact O-N 3Å; L18-R20 HydrophobicContact CD2-CB 4.39Å; L18-R20 HydrophobicContact CD2-CG 4.18Å; L18-V52 HydrophobicContact CD2-CB 4.02Å; L18-V52 HydrophobicContact CD2-CG1 3.66Å; L18-V52 WeakPolarHBondContact CD2-O 3.14Å; L18-V55 HydrophobicContact CD1-CG2 4.45Å
19P92.7Very high92.3Very high70 Ų7058.7 Ų58.746%0.45534%0.341SS..  cis-79.9152.52.533.1-35.7000113.7K51 V52 T53P19-K51 HydrophobicContact CB-CG 4.32Å; P19-V52 CarbonylContact C-O 3.5Å; P19-V52 WeakPolarHBondContact CA-O 3.27Å; P19-V52 WeakPolarHBondContact CB-O 3.24Å; P19-T53 HydrophobicContact CB-CG2 4.46Å
20R93.6Very high91.8Very high73 Ų7365.8 Ų65.828%0.27537%0.372SS..EExtended strand (participates in β ladder)trans-118.7148173.3-65.8-64.2-176.8150.2-4.5111.5F9 L13 S17 L18 K51 V52 D96 T98F9-R20 HydrophobicContact CZ-CB 4.27Å; F9-R20 HydrophobicContact CZ-CG 4.32Å; L13-R20 HydrophobicContact CD1-CG 4.01Å; S17-R20 PolarHBondContact O-NE 3.43Å; S17-R20 PolarHBondContact OG-NE 3.18Å; S17-R20 PolarHBondContact OG-NH2 2.92Å; L18-R20 HydrophobicContact CD2-CB 4.39Å; L18-R20 HydrophobicContact CD2-CG 4.18Å; R20-K51 CarbonylContact O-C 3.55Å; R20-K51 WeakPolarHBondContact O-CA 3.34Å; R20-V52 HydrophobicContact CB-CB 4.47Å; R20-V52 PolarHBondContact N-O 3.44Å; R20-V52 PolarHBondContact O-N 2.94Å; R20-D96 IonicContact CZ-OD2 2.66Å; R20-D96 IonicContact NE-OD2 3.59Å; R20-D96 IonicContact NH1-OD2 2.99Å; R20-D96 PolarHBondContact NH1-OD2 3.43Å; R20-T98 WeakPolarHBondContact CA-OG1 3.45Å; R20-T98 VanDerWaalsContact CD-OG1 3.29Å; R20-T98 WeakPolarHBondContact CD-OG1 3.21Å
21V94.4Very high91Very high13 Ų1372.1 Ų72.18%0.07940%0.399CS..EExtended strand (participates in β ladder)trans-110.8118.4174.2-173.60000108.7L49 I50 V97 T98 F106V21-L49 HydrophobicContact CG1-CB 4.41Å; V21-L49 HydrophobicContact CG1-CD2 4.42Å; V21-I50 WeakPolarHBondContact CA-O 3.27Å; V21-V97 HydrophobicContact CB-CG2 4.34Å; V21-V97 HydrophobicContact CG1-CG2 3.91Å; V21-V97 WeakPolarHBondContact O-CG2 3.29Å; V21-V97 PolarHBondContact O-N 3Å; V21-T98 PolarHBondContact N-OG1 3.08Å; V21-T98 PolarHBondContact O-N 2.72Å; V21-F106 HydrophobicContact CG1-CE2 4.19Å; V21-F106 HydrophobicContact CG1-CZ 3.87Å; V21-F106 HydrophobicContact CG2-CE2 3.95Å; V21-F106 HydrophobicContact CG2-CZ 4.35Å
22L94.8Very high90.5Very high1 Ų165.4 Ų65.41%0.00538%0.381CS..EExtended strand (participates in β ladder)trans-106.9139.2178.7-59.8-176.5000109.8L6 F9 L49 I50 V52 V94 E95 D96L6-L22 HydrophobicContact CD1-CD1 3.98Å; F9-L22 HydrophobicContact CD1-CD1 3.77Å; F9-L22 HydrophobicContact CD1-CD2 4.19Å; F9-L22 HydrophobicContact CD2-CD2 4.16Å; F9-L22 HydrophobicContact CE1-CD1 3.73Å; F9-L22 HydrophobicContact CE1-CD2 3.79Å; F9-L22 HydrophobicContact CE1-CG 4.21Å; F9-L22 HydrophobicContact CE2-CD2 3.75Å; F9-L22 HydrophobicContact CG-CD1 4.46Å; F9-L22 HydrophobicContact CG-CD2 4.37Å; F9-L22 HydrophobicContact CZ-CD1 4.38Å; F9-L22 HydrophobicContact CZ-CD2 3.57Å; F9-L22 HydrophobicContact CZ-CG 4.4Å; L22-L49 CarbonylContact O-C 3.25Å; L22-L49 WeakPolarHBondContact O-CA 3.17Å; L22-I50 HydrophobicContact CB-CB 4.4Å; L22-I50 PolarHBondContact N-O 2.79Å; L22-I50 PolarHBondContact O-N 3.1Å; L22-V52 HydrophobicContact CD1-CG2 3.61Å; L22-V52 HydrophobicContact CG-CG2 3.98Å; L22-V94 HydrophobicContact CB-CB 4.25Å; L22-V94 HydrophobicContact CB-CG1 4.5Å; L22-V94 HydrophobicContact CD1-CB 4.31Å; L22-V94 HydrophobicContact CD1-CG1 4.47Å; L22-V94 HydrophobicContact CD1-CG2 4.12Å; L22-E95 CarbonylContact C-O 3.58Å; L22-E95 WeakPolarHBondContact CA-O 3.36Å; L22-D96 HydrophobicContact CD2-CB 4.11Å
23R95.4Very high89.9Confident101 Ų10162.8 Ų62.838%0.38136%0.358SS..EExtended strand (participates in β ladder)trans-101131.7166.7179.3168.359.9-176.30.9109.4C25 D48 L49 V94 E95 V97R23-C25 PolarHBondContact O-N 3.13Å; R23-D48 CarbonylContact C-O 3.57Å; R23-D48 WeakPolarHBondContact CA-O 3.46Å; R23-L49 HydrophobicContact CB-CD2 3.76Å; R23-L49 HydrophobicContact CG-CD2 4.12Å; R23-V94 CarbonylContact O-C 3.56Å; R23-V94 VanDerWaalsContact O-CA 3.24Å; R23-V94 WeakPolarHBondContact O-CA 3.38Å; R23-E95 IonicContact CZ-OE2 3.92Å; R23-E95 PolarHBondContact N-O 2.83Å; R23-E95 IonicContact NE-OE2 4Å; R23-E95 IonicContact NH2-OE2 2.88Å; R23-E95 PolarHBondContact NH2-OE2 3.36Å; R23-E95 PolarHBondContact O-N 2.78Å; R23-V97 HydrophobicContact CB-CG1 4.09Å; R23-V97 HydrophobicContact CB-CG2 4.04Å
24V95.8Very high89.5Confident5 Ų561.9 Ų61.93%0.0335%0.353CS..EExtended strand (participates in β ladder)trans-73.8121.9171.2-179.20000108.6L44 G47 D48 I50V24-L44 HydrophobicContact CG2-CB 4.31Å; V24-L44 HydrophobicContact CG2-CD1 4.25Å; V24-L44 HydrophobicContact CG2-CD2 4.47Å; V24-G47 PolarHBondContact O-N 2.81Å; V24-D48 HydrophobicContact CB-CB 4.45Å; V24-D48 HydrophobicContact CG2-CB 4.23Å; V24-D48 PolarHBondContact N-O 2.77Å; V24-I50 HydrophobicContact CG2-CD1 3.56Å; V24-I50 HydrophobicContact CG2-CG1 4.27Å
25C94.9Very high88.9Confident27 Ų2762.7 Ų62.718%0.18235%0.35CS..EExtended strand (participates in β ladder)trans-99.7-46.8-177.9-66.60000111.2P3 R23 T46 D93P3-C25 HydrophobicContact CB-CB 3.87Å; P3-C25 HydrophobicContact CG-CB 3.95Å; R23-C25 PolarHBondContact O-N 3.13Å; C25-T46 WeakPolarHBondContact O-CG2 3.37Å; C25-T46 PolarHBondContact O-OG1 3.38Å; C25-T46 VanDerWaalsContact O-OG1 3.11Å; C25-D93 HydrophobicContact CB-CB 4.39Å; C25-D93 PolarHBondContact N-O 2.94Å
26S94.5Very high88.3Confident48 Ų4861.8 Ų61.834%0.33634%0.338SS..EExtended strand (participates in β ladder)trans-160.3167-17635.70000110.4V92 D93S26-V92 CarbonylContact O-C 3.48Å; S26-V92 VanDerWaalsContact O-CA 3.27Å; S26-V92 WeakPolarHBondContact O-CA 3.04Å; S26-V92 WeakPolarHBondContact O-CB 3.3Å; S26-D93 PolarHBondContact O-N 3.4Å; S26-D93 WeakPolarHBondContact OG-CB 3.37Å; S26-D93 PolarHBondContact OG-OD2 3.43Å
27G91Very high87.4Confident47 Ų4759.7 Ų59.749%0.48531%0.314SS..EExtended strand (participates in β ladder)trans142.5171.7171.100000114.1E91G27-E91 CarbonylContact C-O 3.58Å; G27-E91 WeakPolarHBondContact CA-O 3.08Å
28V88.3Confident86.1Confident105 Ų10559.5 Ų59.564%0.63631%0.313SS*.  trans-137.4144.4174.3-69.60000108.4E91V28-E91 PolarHBondContact N-O 3.4Å; V28-E91 WeakPolarHBondContact O-CB 3.13Å; V28-E91 VanDerWaalsContact O-O 3.07Å
29Y89Confident85.1Confident62 Ų6260.1 Ų60.124%0.24333%0.328CS..  trans-15016117753.3-86.7000109.3I34 C43 L44 L90 V92Y29-I34 HydrophobicContact CD2-CD1 4.31Å; Y29-I34 HydrophobicContact CE2-CD1 3.92Å; Y29-I34 HydrophobicContact CE2-CG1 4.39Å; Y29-C43 WeakPolarHBondContact OH-CA 3.3Å; Y29-C43 WeakPolarHBondContact OH-CB 3.43Å; Y29-L44 HydrophobicContact CE1-CB 4.26Å; Y29-L44 PolarHBondContact OH-N 3.01Å; Y29-L44 PolarHBondContact OH-O 2.93Å; Y29-L90 HydrophobicContact CD1-CD1 4.37Å; Y29-L90 HydrophobicContact CD1-CD2 4.04Å; Y29-L90 HydrophobicContact CD1-CG 4.16Å; Y29-L90 HydrophobicContact CD2-CD1 3.99Å; Y29-L90 HydrophobicContact CG-CD1 3.71Å; Y29-L90 HydrophobicContact CG-CD2 4.21Å; Y29-L90 HydrophobicContact CG-CG 3.94Å; Y29-V92 HydrophobicContact CD1-CG1 3.77Å; Y29-V92 HydrophobicContact CE1-CG1 4.27Å
30F83.1Confident84.2Confident170 Ų17060.9 Ų60.975%0.74633%0.329SS*.  trans-70.8142.3-178.6-65.7-75.4000111.4G32 S33F30-G32 PolarHBondContact O-N 3.4Å; F30-S33 WeakPolarHBondContact O-CB 3.18Å; F30-S33 PolarHBondContact O-N 3.45Å; F30-S33 PolarHBondContact O-OG 2.92Å
31E76.1Confident83.4Confident174 Ų17461.1 Ų61.181%0.81333%0.333SS*.THydrogen-bonded Turntrans-52.4137.6163.4-162175.7-173.800109.1E41E31-E41 WeakPolarHBondContact CA-OE1 3.45Å; E31-E41 WeakPolarHBondContact CG-OE1 3.43Å
32G78.3Confident82.7Confident25 Ų2562.5 Ų62.526%0.25834%0.343SS..THydrogen-bonded Turntrans85.510.7-176.400000114.3F30 Y35 E41F30-G32 PolarHBondContact O-N 3.4Å; G32-Y35 WeakPolarHBondContact CA-OH 3.43Å; G32-Y35 WeakPolarHBondContact O-CE2 3.19Å; G32-Y35 PolarHBondContact O-OH 3.23Å; G32-Y35 VanDerWaalsContact O-OH 3.08Å; G32-E41 PolarHBondContact N-OE1 3.29Å
33S80.1Confident82.3Confident36 Ų3666.7 Ų66.725%0.25237%0.371SS..SBendtrans-85.2-23.4-178.6-62.10000114.4F30F30-S33 WeakPolarHBondContact O-CB 3.18Å; F30-S33 PolarHBondContact O-N 3.45Å; F30-S33 PolarHBondContact O-OG 2.92Å
34I82.9Confident82Confident3 Ų363.2 Ų63.22%0.01536%0.36CS..  trans-134.4134.3-172.9-48.1177.2000108.9Y29 E41 C42 L44 V84 L90Y29-I34 HydrophobicContact CD2-CD1 4.31Å; Y29-I34 HydrophobicContact CE2-CD1 3.92Å; Y29-I34 HydrophobicContact CE2-CG1 4.39Å; I34-E41 WeakPolarHBondContact O-CA 3.17Å; I34-E41 WeakPolarHBondContact O-CG 3.36Å; I34-C42 PolarHBondContact O-N 2.96Å; I34-L44 HydrophobicContact CD1-CB 4.3Å; I34-L44 HydrophobicContact CD1-CD1 3.41Å; I34-L44 VanDerWaalsContact CD1-CD1 3.41Å; I34-L44 HydrophobicContact CD1-CG 3.54Å; I34-V84 HydrophobicContact CG2-CG1 4.3Å; I34-L90 HydrophobicContact CD1-CD1 4.07Å; I34-L90 HydrophobicContact CD1-CD2 3.77Å; I34-L90 HydrophobicContact CG1-CD1 4Å
35Y78.8Confident81.7Confident110 Ų11066.2 Ų66.243%0.43138%0.381SS..BIsolated β-bridgetrans-129.9138.8177.6-60.8-94.8000109.6G32 G39 N40 E41 V84G32-Y35 WeakPolarHBondContact CA-OH 3.43Å; G32-Y35 WeakPolarHBondContact O-CE2 3.19Å; G32-Y35 PolarHBondContact O-OH 3.23Å; G32-Y35 VanDerWaalsContact O-OH 3.08Å; Y35-G39 WeakPolarHBondContact CD1-O 3.46Å; Y35-N40 CarbonylContact C-O 3.6Å; Y35-N40 WeakPolarHBondContact CA-O 3.46Å; Y35-E41 HydrophobicContact CD1-CB 4.15Å; Y35-E41 HydrophobicContact CE1-CB 4.01Å; Y35-E41 HydrophobicContact CE1-CG 4.31Å; Y35-V84 VanDerWaalsContact O-CG1 3.27Å; Y35-V84 WeakPolarHBondContact O-CG1 3.35Å
36E75.6Confident81.6Confident68 Ų6870.1 Ų70.132%0.31840%0.404SS..  trans-67.4169.9168.167.7172.6-154.100111S38 G39 N40 K148E36-S38 PolarHBondContact O-N 3.05Å; E36-S38 VanDerWaalsContact O-N 3.1Å; E36-S38 WeakPolarHBondContact OE1-CB 3.27Å; E36-S38 PolarHBondContact OE1-OG 2.84Å; E36-G39 PolarHBondContact O-N 3.26Å; E36-N40 HydrophobicContact CG-CB 3.85Å; E36-N40 WeakPolarHBondContact CG-O 3.34Å; E36-N40 PolarHBondContact N-O 3.11Å; E36-N40 PolarHBondContact OE1-ND2 2.86Å; E36-K148 IonicContact OE1-NZ 2.73Å; E36-K148 PolarHBondContact OE1-NZ 3.1Å
37I71.4Confident81.4Confident44 Ų4469.8 Ų69.823%0.22641%0.408CS..THydrogen-bonded Turntrans-57.6-27.5179.959.7176.6000113.4G39 V84 P109 L129I37-G39 PolarHBondContact O-N 2.74Å; I37-V84 HydrophobicContact CG2-CG2 3.76Å; I37-P109 HydrophobicContact CD1-CB 4Å; I37-P109 HydrophobicContact CD1-CG 3.69Å; I37-L129 HydrophobicContact CD1-CB 4.01Å; I37-L129 HydrophobicContact CD1-CD1 3.54Å; I37-L129 HydrophobicContact CD1-CG 4.31Å
38S65Low81.5Confident29 Ų2970.3 Ų70.320%0.20340%0.4CS..THydrogen-bonded Turntrans-80.41.8177.5-15.50000113.4E36 N40 L129 K148E36-S38 PolarHBondContact O-N 3.05Å; E36-S38 VanDerWaalsContact O-N 3.1Å; E36-S38 WeakPolarHBondContact OE1-CB 3.27Å; E36-S38 PolarHBondContact OE1-OG 2.84Å; S38-N40 VanDerWaalsContact C-N 3.3Å; S38-N40 PolarHBondContact O-N 3.42Å; S38-L129 PolarHBondContact OG-O 3.04Å; S38-K148 VanDerWaalsContact OG-CE 3.29Å; S38-K148 WeakPolarHBondContact OG-CE 3.47Å; S38-K148 PolarHBondContact OG-NZ 3.29Å
39G70.7Confident81.7Confident51 Ų5168.6 Ų68.653%0.52639%0.387SS..SBendtrans79.65.517900000115.1Y35 E36 I37Y35-G39 WeakPolarHBondContact CD1-O 3.46Å; E36-G39 PolarHBondContact O-N 3.26Å; I37-G39 PolarHBondContact O-N 2.74Å
40N73.9Confident81.8Confident87 Ų8766.6 Ų66.647%0.46538%0.38SS..  trans-79.3144170.7-67.3-19.2000109.9Y35 E36 S38 K148Y35-N40 CarbonylContact C-O 3.6Å; Y35-N40 WeakPolarHBondContact CA-O 3.46Å; E36-N40 HydrophobicContact CG-CB 3.85Å; E36-N40 WeakPolarHBondContact CG-O 3.34Å; E36-N40 PolarHBondContact N-O 3.11Å; E36-N40 PolarHBondContact OE1-ND2 2.86Å; S38-N40 VanDerWaalsContact C-N 3.3Å; S38-N40 PolarHBondContact O-N 3.42Å; N40-K148 PolarHBondContact ND2-NZ 3.19Å
41E77.5Confident82.2Confident78 Ų7862.8 Ų62.836%0.36436%0.363SS..BIsolated β-bridgetrans-65142171.5-163.5-174.5151.500110.7E31 G32 I34 Y35E31-E41 WeakPolarHBondContact CA-OE1 3.45Å; E31-E41 WeakPolarHBondContact CG-OE1 3.43Å; G32-E41 PolarHBondContact N-OE1 3.29Å; I34-E41 WeakPolarHBondContact O-CA 3.17Å; I34-E41 WeakPolarHBondContact O-CG 3.36Å; Y35-E41 HydrophobicContact CD1-CB 4.15Å; Y35-E41 HydrophobicContact CE1-CB 4.01Å; Y35-E41 HydrophobicContact CE1-CG 4.31Å
42C80.1Confident82.9Confident42 Ų4255.8 Ų55.828%0.28433%0.332SS..  trans-140.6161.6174.568.80000112.2I34I34-C42 PolarHBondContact O-N 2.96Å
43C85Confident83.4Confident88 Ų8857.9 Ų57.960%0.59534%0.34SS*.  trans-114.2134.8-179.6-57.50000110.6Y29Y29-C43 WeakPolarHBondContact OH-CA 3.3Å; Y29-C43 WeakPolarHBondContact OH-CB 3.43Å
44L89.1Confident83.7Confident28 Ų2859.3 Ų59.315%0.14734%0.343CS..  trans-82130.5159.9-64.6174.1000110.8V24 Y29 I34 D48 I50 L90V24-L44 HydrophobicContact CG2-CB 4.31Å; V24-L44 HydrophobicContact CG2-CD1 4.25Å; V24-L44 HydrophobicContact CG2-CD2 4.47Å; Y29-L44 HydrophobicContact CE1-CB 4.26Å; Y29-L44 PolarHBondContact OH-N 3.01Å; Y29-L44 PolarHBondContact OH-O 2.93Å; I34-L44 HydrophobicContact CD1-CB 4.3Å; I34-L44 HydrophobicContact CD1-CD1 3.41Å; I34-L44 VanDerWaalsContact CD1-CD1 3.41Å; I34-L44 HydrophobicContact CD1-CG 3.54Å; L44-D48 WeakPolarHBondContact CA-OD2 3.3Å; L44-D48 HydrophobicContact CD2-CB 4.33Å; L44-I50 HydrophobicContact CD1-CD1 3.61Å; L44-I50 HydrophobicContact CD2-CD1 3.9Å; L44-I50 HydrophobicContact CD2-CG1 3.97Å; L44-I50 HydrophobicContact CG-CD1 4.41Å; L44-L90 HydrophobicContact CD1-CD2 3.92Å
45S89.6Confident83.7Confident69 Ų6962.7 Ų62.748%0.48336%0.363SS..  trans-110.6159.1174.5-58.60000111.2G47 D48S45-G47 PolarHBondContact O-N 2.8Å; S45-D48 PolarHBondContact N-OD2 3.47Å; S45-D48 VanDerWaalsContact O-CB 3.27Å; S45-D48 WeakPolarHBondContact O-CB 3.33Å; S45-D48 VanDerWaalsContact O-CG 3.31Å; S45-D48 PolarHBondContact O-N 2.9Å
46T93Very high83.7Confident109 Ų10962 Ų6267%0.66936%0.36SS*.THydrogen-bonded Turntrans-56.2128.2171.1-65.40000110.4C25C25-T46 WeakPolarHBondContact O-CG2 3.37Å; C25-T46 PolarHBondContact O-OG1 3.38Å; C25-T46 VanDerWaalsContact O-OG1 3.11Å
47G91.5Very high83.8Confident40 Ų4063.8 Ų63.841%0.41237%0.371SS..THydrogen-bonded Turntrans99.5-15.5-176.200000114.2V24 S45V24-G47 PolarHBondContact O-N 2.81Å; S45-G47 PolarHBondContact O-N 2.8Å
48D92.4Very high83.8Confident59 Ų5968 Ų6832%0.31639%0.39SS..  trans-62143.3-179.6-75.5-6.6000111.8R23 V24 L44 S45R23-D48 CarbonylContact C-O 3.57Å; R23-D48 WeakPolarHBondContact CA-O 3.46Å; V24-D48 HydrophobicContact CB-CB 4.45Å; V24-D48 HydrophobicContact CG2-CB 4.23Å; V24-D48 PolarHBondContact N-O 2.77Å; L44-D48 WeakPolarHBondContact CA-OD2 3.3Å; L44-D48 HydrophobicContact CD2-CB 4.33Å; S45-D48 PolarHBondContact N-OD2 3.47Å; S45-D48 VanDerWaalsContact O-CB 3.27Å; S45-D48 WeakPolarHBondContact O-CB 3.33Å; S45-D48 VanDerWaalsContact O-CG 3.31Å; S45-D48 PolarHBondContact O-N 2.9Å
49L92.9Very high84.2Confident68 Ų6872.3 Ų72.336%0.35641%0.405SS..EExtended strand (participates in β ladder)trans-105.6127.7179.1-62.4-178.2000111V21 L22 R23 V97 V104 F106V21-L49 HydrophobicContact CG1-CB 4.41Å; V21-L49 HydrophobicContact CG1-CD2 4.42Å; L22-L49 CarbonylContact O-C 3.25Å; L22-L49 WeakPolarHBondContact O-CA 3.17Å; R23-L49 HydrophobicContact CB-CD2 3.76Å; R23-L49 HydrophobicContact CG-CD2 4.12Å; L49-V97 HydrophobicContact CD2-CG2 3.98Å; L49-V104 HydrophobicContact CD1-CG1 4.08Å; L49-V104 HydrophobicContact CD1-CG2 3.88Å; L49-F106 HydrophobicContact CB-CZ 4.22Å
50I91.1Very high84.4Confident21 Ų2172.4 Ų72.411%0.10840%0.396CS..EExtended strand (participates in β ladder)trans-116.7123.9-179.9-57.9165.4000108.3V21 L22 V24 L44 I86V21-I50 WeakPolarHBondContact CA-O 3.27Å; L22-I50 HydrophobicContact CB-CB 4.4Å; L22-I50 PolarHBondContact N-O 2.79Å; L22-I50 PolarHBondContact O-N 3.1Å; V24-I50 HydrophobicContact CG2-CD1 3.56Å; V24-I50 HydrophobicContact CG2-CG1 4.27Å; L44-I50 HydrophobicContact CD1-CD1 3.61Å; L44-I50 HydrophobicContact CD2-CD1 3.9Å; L44-I50 HydrophobicContact CD2-CG1 3.97Å; L44-I50 HydrophobicContact CG-CD1 4.41Å; I50-I86 HydrophobicContact CD1-CD1 3.98Å; I50-I86 HydrophobicContact CG1-CD1 4.27Å; I50-I86 HydrophobicContact CG2-CD1 3.54Å
51K91.3Very high84.7Confident89 Ų8971.9 Ų71.939%0.38740%0.395SS..EExtended strand (participates in β ladder)trans-92108.7170.2-171.3177.8-176.5172.70110.4P19 R20 T53 F106P19-K51 HydrophobicContact CB-CG 4.32Å; R20-K51 CarbonylContact O-C 3.55Å; R20-K51 WeakPolarHBondContact O-CA 3.34Å; K51-T53 HydrophobicContact CD-CG2 4.06Å; K51-T53 HydrophobicContact CG-CG2 3.91Å; K51-T53 PolarHBondContact O-N 2.86Å; K51-F106 HydrophobicContact CB-CD1 3.62Å; K51-F106 HydrophobicContact CB-CD2 3.94Å; K51-F106 HydrophobicContact CB-CE1 3.56Å; K51-F106 HydrophobicContact CB-CE2 3.86Å; K51-F106 HydrophobicContact CB-CG 3.81Å; K51-F106 HydrophobicContact CB-CZ 3.68Å; K51-F106 HydrophobicContact CD-CB 4.09Å; K51-F106 HydrophobicContact CD-CD1 4.42Å; K51-F106 HydrophobicContact CD-CD2 3.61Å; K51-F106 HydrophobicContact CD-CE2 4.14Å; K51-F106 HydrophobicContact CD-CG 3.76Å; K51-F106 HydrophobicContact CG-CD2 4.26Å; K51-F106 HydrophobicContact CG-CE2 4.33Å; K51-F106 HydrophobicContact CG-CG 4.41Å
52V90.3Very high84.6Confident27 Ų2770.6 Ų70.616%0.16439%0.394CS..EExtended strand (participates in β ladder)trans-79.7115.3170-170.40000107.9L13 L18 P19 R20 L22L13-V52 HydrophobicContact CD2-CG1 4.35Å; L18-V52 HydrophobicContact CD2-CB 4.02Å; L18-V52 HydrophobicContact CD2-CG1 3.66Å; L18-V52 WeakPolarHBondContact CD2-O 3.14Å; P19-V52 CarbonylContact C-O 3.5Å; P19-V52 WeakPolarHBondContact CA-O 3.27Å; P19-V52 WeakPolarHBondContact CB-O 3.24Å; R20-V52 HydrophobicContact CB-CB 4.47Å; R20-V52 PolarHBondContact N-O 3.44Å; R20-V52 PolarHBondContact O-N 2.94Å; L22-V52 HydrophobicContact CD1-CG2 3.61Å; L22-V52 HydrophobicContact CG-CG2 3.98Å
53T89Confident85.1Confident70 Ų7074.6 Ų74.643%0.42941%0.409SS..  trans-108.5-20.9179.556.80000113.3P19 K51P19-T53 HydrophobicContact CB-CG2 4.46Å; K51-T53 HydrophobicContact CD-CG2 4.06Å; K51-T53 HydrophobicContact CG-CG2 3.91Å; K51-T53 PolarHBondContact O-N 2.86Å
54Q86.2Confident85Confident65 Ų6573.7 Ų73.730%0.30440%0.398SS..  trans-157.3152-179.658.3176.21.600109.5R56Q54-R56 VanDerWaalsContact NE2-NE 3.1Å
55V83.9Confident84.8Confident74 Ų7478 Ų7845%0.44843%0.427SS..  trans-110.6136.1164.8-179.40000107.7V10 L13 L18V10-V55 HydrophobicContact CG1-CG1 4.35Å; L13-V55 HydrophobicContact CD2-CG2 3.55Å; L18-V55 HydrophobicContact CD1-CG2 4.45Å
56R79.1Confident84.7Confident96 Ų9684 Ų8436%0.36245%0.445SS..  trans-127.7133.4178.1-67.6-171-179.6-160.51.9110.3Q54 Q58 Q78Q54-R56 VanDerWaalsContact NE2-NE 3.1Å; R56-Q58 PolarHBondContact O-N 3.41Å; R56-Q78 PolarHBondContact NH1-O 3.44Å
57L76.9Confident84.5Confident106 Ų10682.6 Ų82.656%0.55544%0.436SS*.  trans-66.3118.7170.3-162.285.3000108.7V60 P75L57-V60 HydrophobicContact CD1-CG2 4.47Å; L57-V60 HydrophobicContact CD2-CG2 3.32Å; L57-V60 HydrophobicContact CG-CG2 4.13Å; L57-P75 HydrophobicContact CD2-CB 4.4Å; L57-P75 WeakPolarHBondContact O-CG 3.42Å
58Q71.3Confident84.2Confident131 Ų13184.7 Ų84.761%0.61245%0.445SS*.  trans-88.8-38178.2-83.1-166.2-7.400113.1R56 P75R56-Q58 PolarHBondContact O-N 3.41Å; Q58-P75 VanDerWaalsContact C-CG 3.41Å; Q58-P75 WeakPolarHBondContact O-CD 3.37Å; Q58-P75 WeakPolarHBondContact O-CG 3.46Å
59K73.4Confident83.9Confident121 Ų12188.4 Ų88.453%0.52646%0.46SS..  trans-154.5151.9178.665.3179-1681660111V61 E72K59-V61 HydrophobicContact CD-CG2 4.36Å; K59-E72 IonicContact NZ-OE1 3.69Å; K59-E72 PolarHBondContact NZ-OE1 2.79Å
60V74.9Confident83.6Confident53 Ų5389.4 Ų89.432%0.32147%0.469SS..EExtended strand (participates in β ladder)trans-116.7124.1166.3-178.20000107.4L57 E72 L73L57-V60 HydrophobicContact CD1-CG2 4.47Å; L57-V60 HydrophobicContact CD2-CG2 3.32Å; L57-V60 HydrophobicContact CG-CG2 4.13Å; V60-E72 CarbonylContact O-C 3.5Å; V60-E72 WeakPolarHBondContact O-CA 3.32Å; V60-L73 HydrophobicContact CB-CB 4.19Å; V60-L73 PolarHBondContact N-O 2.66Å; V60-L73 VanDerWaalsContact N-O 3.1Å; V60-L73 PolarHBondContact O-N 2.86Å
61V80.7Confident83.1Confident76 Ų7693.6 Ų93.646%0.46149%0.49SS..EExtended strand (participates in β ladder)trans-100.8118.4172.5-172.80000107.1K59 T70 E72K59-V61 HydrophobicContact CD-CG2 4.36Å; V61-T70 HydrophobicContact CG1-CG2 4.32Å; V61-E72 HydrophobicContact CG2-CG 4.25Å
62C76Confident82.4Confident50 Ų5095.1 Ų95.134%0.33850%0.498SS..EExtended strand (participates in β ladder)trans-100.5129.5174.8-62.20000108.8T70 M71C62-T70 CarbonylContact O-C 3.52Å; C62-T70 VanDerWaalsContact O-CA 3.23Å; C62-T70 WeakPolarHBondContact O-CA 3.15Å; C62-M71 PolarHBondContact N-O 3.28Å; C62-M71 PolarHBondContact O-N 3.31Å
63E89.9Confident81.3Confident127 Ų12797.9 Ų97.959%0.59351%0.511SS*.EExtended strand (participates in β ladder)trans-107.6131.4172.2-172.1-179.7170.400109.7P65 T70E63-P65 WeakPolarHBondContact O-CD 3.49Å; E63-T70 HydrophobicContact CB-CG2 4.12Å; E63-T70 HydrophobicContact CG-CG2 4.05Å
64N83.6Confident79.8Confident69 Ų6998.9 Ų98.937%0.36953%0.527SS..EExtended strand (participates in β ladder)trans-81.2112.8169.4-178.5-19.7000109.2K66 T67 S68 Q69N64-K66 PolarHBondContact O-N 3.37Å; N64-K66 PolarHBondContact OD1-N 3Å; N64-T67 WeakPolarHBondContact CB-OG1 3.5Å; N64-T67 VanDerWaalsContact CG-OG1 3.26Å; N64-T67 PolarHBondContact ND2-OG1 3.18Å; N64-T67 PolarHBondContact O-N 2.94Å; N64-S68 WeakPolarHBondContact O-CA 3.29Å; N64-S68 PolarHBondContact O-N 2.66Å; N64-Q69 PolarHBondContact N-O 3.31Å
65P84.8Confident78.4Confident117 Ų11797.3 Ų97.376%0.7652%0.522SS*.THydrogen-bonded Turntrans-66.3-13.8-174.426-34.2000114E63E63-P65 WeakPolarHBondContact O-CD 3.49Å
66K86.6Confident76.7Confident195 Ų195101 Ų10185%0.84854%0.54SS*.THydrogen-bonded Turntrans-92.7-27179.2-63.8-177.3179.1-179.80113.5N64N64-K66 PolarHBondContact O-N 3.37Å; N64-K66 PolarHBondContact OD1-N 3Å
67T87.8Confident75.3Confident81 Ų81102.7 Ų102.750%0.49755%0.55SS..THydrogen-bonded Turntrans-119-4.2-174.560.90000113N64 Q69N64-T67 WeakPolarHBondContact CB-OG1 3.5Å; N64-T67 VanDerWaalsContact CG-OG1 3.26Å; N64-T67 PolarHBondContact ND2-OG1 3.18Å; N64-T67 PolarHBondContact O-N 2.94Å; T67-Q69 PolarHBondContact O-N 3.36Å; T67-Q69 VanDerWaalsContact OG1-CB 3.29Å; T67-Q69 WeakPolarHBondContact OG1-CB 3.35Å; T67-Q69 PolarHBondContact OG1-N 2.7Å
68S86.5Confident73.8Confident84 Ų84106.4 Ų106.459%0.58756%0.564SS**THydrogen-bonded Turntrans50.620.3-169.6-63.60000113.4N64N64-S68 WeakPolarHBondContact O-CA 3.29Å; N64-S68 PolarHBondContact O-N 2.66Å
69Q85.8Confident72.6Confident136 Ų136104.5 Ų104.564%0.63656%0.561SS**EExtended strand (participates in β ladder)trans-81125.8179.9-170.4178.87.100108.6N64 T67N64-Q69 PolarHBondContact N-O 3.31Å; T67-Q69 PolarHBondContact O-N 3.36Å; T67-Q69 VanDerWaalsContact OG1-CB 3.29Å; T67-Q69 WeakPolarHBondContact OG1-CB 3.35Å; T67-Q69 PolarHBondContact OG1-N 2.7Å
70T86.1Confident71.6Confident89 Ų89107.1 Ų107.155%0.54657%0.568SS.*EExtended strand (participates in β ladder)trans-96.8141.1175.851.30000110.9V61 C62 E63V61-T70 HydrophobicContact CG1-CG2 4.32Å; C62-T70 CarbonylContact O-C 3.52Å; C62-T70 VanDerWaalsContact O-CA 3.23Å; C62-T70 WeakPolarHBondContact O-CA 3.15Å; E63-T70 HydrophobicContact CB-CG2 4.12Å; E63-T70 HydrophobicContact CG-CG2 4.05Å
71M80.6Confident71.1Confident109 Ų109113.4 Ų113.454%0.53759%0.586SS.*EExtended strand (participates in β ladder)trans-129129.2172.5-174.4-179.671.900108.8C62 L73C62-M71 PolarHBondContact N-O 3.28Å; C62-M71 PolarHBondContact O-N 3.31Å; M71-L73 HydrophobicContact CE-CD2 3.55Å; M71-L73 HydrophobicContact CE-CG 4.02Å
72E77Confident70.4Confident122 Ų122111.9 Ų111.957%0.5758%0.577SS**EExtended strand (participates in β ladder)trans-89.1123.2173.2-61.8-160.4141.300110.2K59 V60 V61K59-E72 IonicContact NZ-OE1 3.69Å; K59-E72 PolarHBondContact NZ-OE1 2.79Å; V60-E72 CarbonylContact O-C 3.5Å; V60-E72 WeakPolarHBondContact O-CA 3.32Å; V61-E72 HydrophobicContact CG2-CG 4.25Å
73L66.9Low70.3Confident84 Ų84112 Ų11244%0.4457%0.573SS.*EExtended strand (participates in β ladder)trans-94.6116.2167.2-64.3170.9000108V60 M71 P75V60-L73 HydrophobicContact CB-CB 4.19Å; V60-L73 PolarHBondContact N-O 2.66Å; V60-L73 VanDerWaalsContact N-O 3.1Å; V60-L73 PolarHBondContact O-N 2.86Å; M71-L73 HydrophobicContact CE-CD2 3.55Å; M71-L73 HydrophobicContact CE-CG 4.02Å; L73-P75 VanDerWaalsContact O-CD 3.27Å; L73-P75 WeakPolarHBondContact O-CD 3.41Å
74A57.3Low69.8Low91 Ų91108.8 Ų108.875%0.75256%0.563SS**PPolyproline II helixtrans-79.3117.2172.900000109.4N76A74-N76 PolarHBondContact O-N 3.14Å
75P57.3Low69.8Low32 Ų32110.9 Ų110.921%0.20857%0.568CS.*  trans-69.5115.4172.927.6-31000108.8L57 Q58 L73 F77L57-P75 HydrophobicContact CD2-CB 4.4Å; L57-P75 WeakPolarHBondContact O-CG 3.42Å; Q58-P75 VanDerWaalsContact C-CG 3.41Å; Q58-P75 WeakPolarHBondContact O-CD 3.37Å; Q58-P75 WeakPolarHBondContact O-CG 3.46Å; L73-P75 VanDerWaalsContact O-CD 3.27Å; L73-P75 WeakPolarHBondContact O-CD 3.41Å; P75-F77 HydrophobicContact CB-CD2 3.66Å; P75-F77 HydrophobicContact CB-CE2 3.6Å; P75-F77 HydrophobicContact CG-CD2 4.47Å; P75-F77 PolarHBondContact O-N 2.8Å
76N49.1Very low69.8Low152 Ų152107.8 Ų107.881%0.81355%0.545SS*.  trans-69.783.7-179.454.7-22.1000111.1A74A74-N76 PolarHBondContact O-N 3.14Å
77F49.1Very low69.7Low132 Ų13299.7 Ų99.758%0.57951%0.512SS*.  trans-124.3125.2176.7-67.5-67.7000113.2P75 V79P75-F77 HydrophobicContact CB-CD2 3.66Å; P75-F77 HydrophobicContact CB-CE2 3.6Å; P75-F77 HydrophobicContact CG-CD2 4.47Å; P75-F77 PolarHBondContact O-N 2.8Å; F77-V79 PolarHBondContact O-N 2.77Å
78Q46.1Very low69.6Low183 Ų18398.2 Ų98.286%0.85551%0.505SS*.PPolyproline II helixtrans-62.7129170.3-73.4172.3-16.400110.3R56R56-Q78 PolarHBondContact NH1-O 3.44Å
79V45.5Very low69.6Low91 Ų9199 Ų9955%0.55251%0.507SS*.PPolyproline II helixtrans-78121.8179.4-177.30000108.8F77 K85F77-V79 PolarHBondContact O-N 2.77Å; V79-K85 VanDerWaalsContact CG2-NZ 3.29Å
80R53.1Low69.8Low176 Ų17692.9 Ų92.966%0.66448%0.478SS*.PPolyproline II helixtrans-84.8124.1166.7-68.5-171.8178.2-173.2-1.4107.7T82R80-T82 PolarHBondContact O-N 2.81Å; R80-T82 VanDerWaalsContact O-N 3.14Å
81R63Low70Confident185 Ų18595.3 Ų95.370%0.69848%0.483SS*.THydrogen-bonded Turntrans-67.7-4.3-178.4-70.8-174.7179.2157.9-1.1114.7
82T65.9Low70.6Confident44 Ų4490.2 Ų90.227%0.2746%0.459SS..THydrogen-bonded Turntrans-92.84.8-174.854.30000114.2R80 P109 L111R80-T82 PolarHBondContact O-N 2.81Å; R80-T82 VanDerWaalsContact O-N 3.14Å; T82-P109 HydrophobicContact CG2-CB 4.28Å; T82-L111 HydrophobicContact CG2-CD2 4.22Å; T82-L111 HydrophobicContact CG2-CG 4.48Å
83I75.4Confident71.5Confident52 Ų5286.9 Ų86.927%0.26744%0.444SS..SBendtrans-134126.5-173.1-55.5173.4000110.3
84V78.4Confident72.9Confident61 Ų6182.9 Ų82.937%0.3742%0.424SS..  trans-69.8132.7170.9174.30000109.6I34 Y35 I37 I86I34-V84 HydrophobicContact CG2-CG1 4.3Å; Y35-V84 VanDerWaalsContact O-CG1 3.27Å; Y35-V84 WeakPolarHBondContact O-CG1 3.35Å; I37-V84 HydrophobicContact CG2-CG2 3.76Å; V84-I86 HydrophobicContact CG1-CG1 4.08Å
85K83Confident74.7Confident113 Ų11380 Ų8049%0.49140%0.395SS..  trans-97.3120.2175.2-66.3-179.1-175.9174.10109V79V79-K85 VanDerWaalsContact CG2-NZ 3.29Å
86I84.6Confident76.5Confident51 Ų5180.2 Ų80.226%0.26239%0.394SS..  trans-110120.4172.3-57.4177.5000107.1L6 I50 V84 L90L6-I86 HydrophobicContact CD2-CG2 3.95Å; I50-I86 HydrophobicContact CD1-CD1 3.98Å; I50-I86 HydrophobicContact CG1-CD1 4.27Å; I50-I86 HydrophobicContact CG2-CD1 3.54Å; V84-I86 HydrophobicContact CG1-CG1 4.08Å; I86-L90 HydrophobicContact CG2-CD2 4.27Å
87P86.2Confident78.6Confident25 Ų2573.5 Ų73.516%0.16236%0.359CS..  trans-67.7137.2177.328.3-32.4000109.7T89 L90P87-T89 PolarHBondContact O-N 2.85Å; P87-T89 VanDerWaalsContact O-N 3.17Å; P87-L90 HydrophobicContact CG-CB 4.41Å; P87-L90 HydrophobicContact CG-CD1 4.08Å; P87-L90 WeakPolarHBondContact O-CB 3.43Å; P87-L90 PolarHBondContact O-N 2.52Å; P87-L90 VanDerWaalsContact O-N 3.12Å
88S85.1Confident80.7Confident51 Ų5169 Ų6936%0.35734%0.342SS..THydrogen-bonded Turntrans-68.7-10.4175.456.40000113.1Q7 L90Q7-S88 WeakPolarHBondContact CA-O 3.41Å; Q7-S88 VanDerWaalsContact CB-O 3.3Å; Q7-S88 WeakPolarHBondContact CB-O 3.37Å; S88-L90 VanDerWaalsContact C-N 3.27Å
89T86.3Confident82.7Confident100 Ų10064.2 Ų64.261%0.61333%0.333SS*.THydrogen-bonded Turntrans-83.60.5173.658.90000113.1P87 E91P87-T89 PolarHBondContact O-N 2.85Å; P87-T89 VanDerWaalsContact O-N 3.17Å; T89-E91 PolarHBondContact O-N 2.89Å
90L88.9Confident84.8Confident7 Ų764.3 Ų64.34%0.03734%0.338CS..  trans-63.7125.4174.9-153.788000109.2L6 Y29 I34 L44 I86 P87 S88 V92L6-L90 HydrophobicContact CD2-CB 4Å; Y29-L90 HydrophobicContact CD1-CD1 4.37Å; Y29-L90 HydrophobicContact CD1-CD2 4.04Å; Y29-L90 HydrophobicContact CD1-CG 4.16Å; Y29-L90 HydrophobicContact CD2-CD1 3.99Å; Y29-L90 HydrophobicContact CG-CD1 3.71Å; Y29-L90 HydrophobicContact CG-CD2 4.21Å; Y29-L90 HydrophobicContact CG-CG 3.94Å; I34-L90 HydrophobicContact CD1-CD1 4.07Å; I34-L90 HydrophobicContact CD1-CD2 3.77Å; I34-L90 HydrophobicContact CG1-CD1 4Å; L44-L90 HydrophobicContact CD1-CD2 3.92Å; I86-L90 HydrophobicContact CG2-CD2 4.27Å; P87-L90 HydrophobicContact CG-CB 4.41Å; P87-L90 HydrophobicContact CG-CD1 4.08Å; P87-L90 WeakPolarHBondContact O-CB 3.43Å; P87-L90 PolarHBondContact O-N 2.52Å; P87-L90 VanDerWaalsContact O-N 3.12Å; S88-L90 VanDerWaalsContact C-N 3.27Å; L90-V92 HydrophobicContact CB-CG2 4.48Å; L90-V92 HydrophobicContact CD2-CB 4.39Å; L90-V92 HydrophobicContact CD2-CG1 3.65Å; L90-V92 HydrophobicContact CD2-CG2 3.78Å; L90-V92 HydrophobicContact CG-CG1 4.14Å; L90-V92 HydrophobicContact CG-CG2 4.46Å; L90-V92 PolarHBondContact O-N 3.32Å
91E91.4Very high86.4Confident140 Ų14056.8 Ų56.865%0.65431%0.313SS*.  trans-81.668.9-177.7-62.5-178.3175.400111G27 V28 T89G27-E91 CarbonylContact C-O 3.58Å; G27-E91 WeakPolarHBondContact CA-O 3.08Å; V28-E91 PolarHBondContact N-O 3.4Å; V28-E91 WeakPolarHBondContact O-CB 3.13Å; V28-E91 VanDerWaalsContact O-O 3.07Å; T89-E91 PolarHBondContact O-N 2.89Å
92V93.5Very high87.1Confident3 Ų358 Ų582%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-128.7145.2176.2-57.70000111.5L6 S26 Y29 L90 V94L6-V92 HydrophobicContact CB-CG2 3.87Å; L6-V92 WeakPolarHBondContact CB-O 3.12Å; L6-V92 HydrophobicContact CD2-CG2 3.99Å; L6-V92 PolarHBondContact N-O 2.82Å; S26-V92 CarbonylContact O-C 3.48Å; S26-V92 VanDerWaalsContact O-CA 3.27Å; S26-V92 WeakPolarHBondContact O-CA 3.04Å; S26-V92 WeakPolarHBondContact O-CB 3.3Å; Y29-V92 HydrophobicContact CD1-CG1 3.77Å; Y29-V92 HydrophobicContact CE1-CG1 4.27Å; L90-V92 HydrophobicContact CB-CG2 4.48Å; L90-V92 HydrophobicContact CD2-CB 4.39Å; L90-V92 HydrophobicContact CD2-CG1 3.65Å; L90-V92 HydrophobicContact CD2-CG2 3.78Å; L90-V92 HydrophobicContact CG-CG1 4.14Å; L90-V92 HydrophobicContact CG-CG2 4.46Å; L90-V92 PolarHBondContact O-N 3.32Å; V92-V94 HydrophobicContact CG2-CG1 4.17Å
93D95.7Very high87.8Confident51 Ų5163.7 Ų63.727%0.27334%0.34SS..EExtended strand (participates in β ladder)trans-91.1137.1170-57.2-46.6000109.9P3 V4 C25 S26P3-D93 HydrophobicContact CB-CB 4.04Å; V4-D93 CarbonylContact O-C 3.6Å; V4-D93 WeakPolarHBondContact O-CA 3.35Å; C25-D93 HydrophobicContact CB-CB 4.39Å; C25-D93 PolarHBondContact N-O 2.94Å; S26-D93 PolarHBondContact O-N 3.4Å; S26-D93 WeakPolarHBondContact OG-CB 3.37Å; S26-D93 PolarHBondContact OG-OD2 3.43Å
94V96.1Very high88Confident0 Ų063.8 Ų63.80%034%0.343CS..EExtended strand (participates in β ladder)trans-130.2147.1-176.8-64.30000111.6P3 V4 L6 F9 L22 R23 V92P3-V94 WeakPolarHBondContact CA-O 3.29Å; V4-V94 HydrophobicContact CG2-CG2 4.49Å; V4-V94 PolarHBondContact N-O 2.98Å; V4-V94 PolarHBondContact O-N 3.18Å; L6-V94 HydrophobicContact CB-CG1 4.34Å; L6-V94 HydrophobicContact CB-CG2 4.37Å; L6-V94 HydrophobicContact CD1-CG1 4.16Å; L6-V94 HydrophobicContact CD1-CG2 4.13Å; F9-V94 HydrophobicContact CB-CG2 3.98Å; F9-V94 HydrophobicContact CG-CG2 4.3Å; L22-V94 HydrophobicContact CB-CB 4.25Å; L22-V94 HydrophobicContact CB-CG1 4.5Å; L22-V94 HydrophobicContact CD1-CB 4.31Å; L22-V94 HydrophobicContact CD1-CG1 4.47Å; L22-V94 HydrophobicContact CD1-CG2 4.12Å; R23-V94 CarbonylContact O-C 3.56Å; R23-V94 VanDerWaalsContact O-CA 3.24Å; R23-V94 WeakPolarHBondContact O-CA 3.38Å; V92-V94 HydrophobicContact CG2-CG1 4.17Å
95E95.8Very high87.8Confident32 Ų3269.4 Ų69.415%0.1537%0.365CS..EExtended strand (participates in β ladder)trans-114.6130.1170.6-175-177.6-17900110.1M1 L22 R23 V97M1-E95 HydrophobicContact CB-CG 4.22Å; M1-E95 PolarHBondContact N-OE1 2.9Å; M1-E95 WeakPolarHBondContact O-CG 3.42Å; L22-E95 CarbonylContact C-O 3.58Å; L22-E95 WeakPolarHBondContact CA-O 3.36Å; R23-E95 IonicContact CZ-OE2 3.92Å; R23-E95 PolarHBondContact N-O 2.83Å; R23-E95 IonicContact NE-OE2 4Å; R23-E95 IonicContact NH2-OE2 2.88Å; R23-E95 PolarHBondContact NH2-OE2 3.36Å; R23-E95 PolarHBondContact O-N 2.78Å; E95-V97 HydrophobicContact CB-CG1 4.41Å; E95-V97 HydrophobicContact CG-CG1 4.08Å; E95-V97 PolarHBondContact O-N 3.5Å
96D94.3Very high87.7Confident35 Ų3567.1 Ų67.119%0.18736%0.356CS..EExtended strand (participates in β ladder)trans-72.4107.8170.4-174.2-7.4000110F9 R20 L22 T98F9-D96 HydrophobicContact CE2-CB 4.05Å; R20-D96 IonicContact CZ-OD2 2.66Å; R20-D96 IonicContact NE-OD2 3.59Å; R20-D96 IonicContact NH1-OD2 2.99Å; R20-D96 PolarHBondContact NH1-OD2 3.43Å; L22-D96 HydrophobicContact CD2-CB 4.11Å; D96-T98 WeakPolarHBondContact OD1-CB 3.19Å; D96-T98 PolarHBondContact OD1-N 2.97Å; D96-T98 PolarHBondContact OD1-OG1 2.88Å
97V94.2Very high87.3Confident12 Ų1271.1 Ų71.17%0.07338%0.376CS..  trans-11018.9178.8-64.50000111.5V21 R23 L49 E95 A99 S100 S101V21-V97 HydrophobicContact CB-CG2 4.34Å; V21-V97 HydrophobicContact CG1-CG2 3.91Å; V21-V97 WeakPolarHBondContact O-CG2 3.29Å; V21-V97 PolarHBondContact O-N 3Å; R23-V97 HydrophobicContact CB-CG1 4.09Å; R23-V97 HydrophobicContact CB-CG2 4.04Å; L49-V97 HydrophobicContact CD2-CG2 3.98Å; E95-V97 HydrophobicContact CB-CG1 4.41Å; E95-V97 HydrophobicContact CG-CG1 4.08Å; E95-V97 PolarHBondContact O-N 3.5Å; V97-A99 VanDerWaalsContact C-N 3.26Å; V97-A99 PolarHBondContact O-N 2.98Å; V97-S100 PolarHBondContact O-N 3.22Å; V97-S100 PolarHBondContact O-OG 3.47Å; V97-S100 VanDerWaalsContact O-OG 3.05Å; V97-S101 WeakPolarHBondContact CG2-OG 3.33Å; V97-S101 VanDerWaalsContact O-CB 3.23Å; V97-S101 WeakPolarHBondContact O-CB 3.49Å; V97-S101 PolarHBondContact O-N 3.31Å; V97-S101 PolarHBondContact O-OG 2.8Å
98T91.1Very high87Confident36 Ų3676.8 Ų76.822%0.22140%0.398CS..THydrogen-bonded Turntrans-54.2-42.4-178.2-550000112R20 V21 D96 S100 S101R20-T98 WeakPolarHBondContact CA-OG1 3.45Å; R20-T98 VanDerWaalsContact CD-OG1 3.29Å; R20-T98 WeakPolarHBondContact CD-OG1 3.21Å; V21-T98 PolarHBondContact N-OG1 3.08Å; V21-T98 PolarHBondContact O-N 2.72Å; D96-T98 WeakPolarHBondContact OD1-CB 3.19Å; D96-T98 PolarHBondContact OD1-N 2.97Å; D96-T98 PolarHBondContact OD1-OG1 2.88Å; T98-S100 VanDerWaalsContact C-N 3.34Å; T98-S100 PolarHBondContact O-N 3.42Å; T98-S101 PolarHBondContact O-N 2.71Å
99A89.6Confident86.8Confident83 Ų8376 Ų7669%0.68639%0.391SS*.THydrogen-bonded Turntrans-64.8-35.8-17700000113.2V97V97-A99 VanDerWaalsContact C-N 3.26Å; V97-A99 PolarHBondContact O-N 2.98Å
100S89.6Confident86.6Confident93 Ų9373.5 Ų73.565%0.6537%0.374SS*.THydrogen-bonded Turntrans-90.6-16.4-179.550.90000113.5V97 T98 R102V97-S100 PolarHBondContact O-N 3.22Å; V97-S100 PolarHBondContact O-OG 3.47Å; V97-S100 VanDerWaalsContact O-OG 3.05Å; T98-S100 VanDerWaalsContact C-N 3.34Å; T98-S100 PolarHBondContact O-N 3.42Å; S100-R102 VanDerWaalsContact C-N 3.34Å; S100-R102 PolarHBondContact O-N 3.46Å
101S85.6Confident86.1Confident18 Ų1877.5 Ų77.513%0.12640%0.395CS..  trans-91.729.4-172.8-59.90000114.8V97 T98 H103 V104V97-S101 WeakPolarHBondContact CG2-OG 3.33Å; V97-S101 VanDerWaalsContact O-CB 3.23Å; V97-S101 WeakPolarHBondContact O-CB 3.49Å; V97-S101 PolarHBondContact O-N 3.31Å; V97-S101 PolarHBondContact O-OG 2.8Å; T98-S101 PolarHBondContact O-N 2.71Å; S101-H103 PolarHBondContact O-N 3.22Å; S101-H103 VanDerWaalsContact O-N 3.1Å; S101-V104 PolarHBondContact O-N 3.43Å; S101-V104 VanDerWaalsContact O-N 3.16Å
102R78.3Confident85.3Confident211 Ų21175.7 Ų75.780%0.79639%0.389SS*.THydrogen-bonded Turntrans-63.5-18.5-175.4-63.7-174.7-179-160.9-2.5114.6S100S100-R102 VanDerWaalsContact C-N 3.34Å; S100-R102 PolarHBondContact O-N 3.46Å
103H79.6Confident84.2Confident163 Ų16379.2 Ų79.276%0.75541%0.414SS*.THydrogen-bonded Turntrans-104.14-178.7-55.3-61000113.7S101 H105S101-H103 PolarHBondContact O-N 3.22Å; S101-H103 VanDerWaalsContact O-N 3.1Å; H103-H105 PolarHBondContact O-CD2 3.35Å; H103-H105 PolarHBondContact O-N 2.74Å
104V79.8Confident83.5Confident55 Ų5581 Ų8133%0.33342%0.421SS..  trans-81.4112.6179.9-175.80000109.3L49 S101 F106L49-V104 HydrophobicContact CD1-CG1 4.08Å; L49-V104 HydrophobicContact CD1-CG2 3.88Å; S101-V104 PolarHBondContact O-N 3.43Å; S101-V104 VanDerWaalsContact O-N 3.16Å; V104-F106 HydrophobicContact CB-CD2 4.48Å; V104-F106 HydrophobicContact CB-CE2 3.94Å; V104-F106 HydrophobicContact CG1-CD2 3.9Å; V104-F106 HydrophobicContact CG1-CE1 4.45Å; V104-F106 HydrophobicContact CG1-CE2 3.39Å; V104-F106 HydrophobicContact CG1-CZ 3.7Å; V104-F106 PolarHBondContact O-N 3.41Å
105H76Confident82.7Confident179 Ų17981.5 Ų81.583%0.82942%0.424SS*.  trans-90.2101.8175.7-67.6-73.2000110.1H103H103-H105 PolarHBondContact O-CD2 3.35Å; H103-H105 PolarHBondContact O-N 2.74Å
106F80.3Confident81.6Confident65 Ų6585 Ų8529%0.28544%0.443SS..  trans-75.5136.8170.9-70.5-89.9000110.1V21 L49 K51 V104 K108V21-F106 HydrophobicContact CG1-CE2 4.19Å; V21-F106 HydrophobicContact CG1-CZ 3.87Å; V21-F106 HydrophobicContact CG2-CE2 3.95Å; V21-F106 HydrophobicContact CG2-CZ 4.35Å; L49-F106 HydrophobicContact CB-CZ 4.22Å; K51-F106 HydrophobicContact CB-CD1 3.62Å; K51-F106 HydrophobicContact CB-CD2 3.94Å; K51-F106 HydrophobicContact CB-CE1 3.56Å; K51-F106 HydrophobicContact CB-CE2 3.86Å; K51-F106 HydrophobicContact CB-CG 3.81Å; K51-F106 HydrophobicContact CB-CZ 3.68Å; K51-F106 HydrophobicContact CD-CB 4.09Å; K51-F106 HydrophobicContact CD-CD1 4.42Å; K51-F106 HydrophobicContact CD-CD2 3.61Å; K51-F106 HydrophobicContact CD-CE2 4.14Å; K51-F106 HydrophobicContact CD-CG 3.76Å; K51-F106 HydrophobicContact CG-CD2 4.26Å; K51-F106 HydrophobicContact CG-CE2 4.33Å; K51-F106 HydrophobicContact CG-CG 4.41Å; V104-F106 HydrophobicContact CB-CD2 4.48Å; V104-F106 HydrophobicContact CB-CE2 3.94Å; V104-F106 HydrophobicContact CG1-CD2 3.9Å; V104-F106 HydrophobicContact CG1-CE1 4.45Å; V104-F106 HydrophobicContact CG1-CE2 3.39Å; V104-F106 HydrophobicContact CG1-CZ 3.7Å; V104-F106 PolarHBondContact O-N 3.41Å; F106-K108 PolarHBondContact O-N 3.41Å
107I76Confident80.6Confident135 Ų13586.8 Ų86.869%0.69246%0.463SS*.  trans-56.9132.9173.3-58.9172.4000108.4P109 L129I107-P109 WeakPolarHBondContact O-CD 3.47Å; I107-L129 HydrophobicContact CG2-CD1 4.36Å
108K80.5Confident79.9Confident144 Ų14489.8 Ų89.863%0.62647%0.473SS*.  trans-104.8103172.7-176.4-176.2177.4-171.70108.4F106 L110F106-K108 PolarHBondContact O-N 3.41Å; K108-L110 HydrophobicContact CD-CD2 4.11Å; K108-L110 HydrophobicContact CG-CD2 4.25Å; K108-L110 PolarHBondContact O-N 3.05Å
109P81.1Confident79.3Confident33 Ų3396.9 Ų96.921%0.21450%0.504CS..  trans-62.5133.4172.1-18.932.6000109.3I37 T82 I107 L129I37-P109 HydrophobicContact CD1-CB 4Å; I37-P109 HydrophobicContact CD1-CG 3.69Å; T82-P109 HydrophobicContact CG2-CB 4.28Å; I107-P109 WeakPolarHBondContact O-CD 3.47Å; P109-L129 HydrophobicContact CB-CD1 4.1Å; P109-L129 HydrophobicContact CG-CD1 4.31Å
110L80.5Confident78.8Confident49 Ų4994.1 Ų94.126%0.25748%0.484SS..  trans-118.6138.5175.4-64.9174.8000109.1K108 E114 V115K108-L110 HydrophobicContact CD-CD2 4.11Å; K108-L110 HydrophobicContact CG-CD2 4.25Å; K108-L110 PolarHBondContact O-N 3.05Å; L110-E114 WeakPolarHBondContact CA-OE2 3.3Å; L110-E114 HydrophobicContact CD2-CB 4.49Å; L110-V115 HydrophobicContact CB-CG2 3.87Å; L110-V115 HydrophobicContact CD1-CG2 4.23Å
111L79.1Confident78.5Confident90 Ų9095 Ų9547%0.47149%0.487SS..  trans-72.7151.7167.9-61.4176.3000109.7T82 S113 E114 V115T82-L111 HydrophobicContact CG2-CD2 4.22Å; T82-L111 HydrophobicContact CG2-CG 4.48Å; L111-S113 PolarHBondContact O-N 2.8Å; L111-E114 HydrophobicContact CB-CG 4.14Å; L111-E114 PolarHBondContact N-OE2 3.18Å; L111-E114 WeakPolarHBondContact O-CA 3.45Å; L111-E114 WeakPolarHBondContact O-CB 3.46Å; L111-E114 PolarHBondContact O-N 3.23Å; L111-V115 PolarHBondContact O-N 2.98Å
112L75.4Confident78.3Confident102 Ų10297.3 Ų97.353%0.53450%0.495SS..Hα-helixtrans-55.9-36.4175.7-177.761.6000111.9E114 V115 L116 F138L112-E114 VanDerWaalsContact C-N 3.3Å; L112-E114 PolarHBondContact O-N 3.25Å; L112-V115 PolarHBondContact O-N 2.87Å; L112-L116 HydrophobicContact CD1-CG 4.43Å; L112-L116 HydrophobicContact CG-CD1 4.17Å; L112-L116 HydrophobicContact CG-CG 4.41Å; L112-L116 WeakPolarHBondContact O-CB 3.36Å; L112-L116 VanDerWaalsContact O-CG 3.28Å; L112-L116 WeakPolarHBondContact O-CG 3.42Å; L112-L116 PolarHBondContact O-N 3.3Å; L112-F138 HydrophobicContact CD2-CE2 4.03Å
113S70.7Confident78.6Confident78 Ų7891.4 Ų91.455%0.54548%0.484SS..Hα-helixtrans-62.3-35.7174.555.90000113.2L111 A117L111-S113 PolarHBondContact O-N 2.8Å; S113-A117 WeakPolarHBondContact O-CB 3.23Å; S113-A117 PolarHBondContact O-N 3.18Å; S113-A117 VanDerWaalsContact O-N 3.09Å
114E80.7Confident78.7Confident88 Ų8885.7 Ų85.741%0.41146%0.458SS..Hα-helixtrans-73.3-35.9177-64.4175.4134.700111L110 L111 L112 A117 W118L110-E114 WeakPolarHBondContact CA-OE2 3.3Å; L110-E114 HydrophobicContact CD2-CB 4.49Å; L111-E114 HydrophobicContact CB-CG 4.14Å; L111-E114 PolarHBondContact N-OE2 3.18Å; L111-E114 WeakPolarHBondContact O-CA 3.45Å; L111-E114 WeakPolarHBondContact O-CB 3.46Å; L111-E114 PolarHBondContact O-N 3.23Å; L112-E114 VanDerWaalsContact C-N 3.3Å; L112-E114 PolarHBondContact O-N 3.25Å; E114-A117 CarbonylContact O-C 3.57Å; E114-A117 PolarHBondContact O-N 3.11Å; E114-W118 PolarHBondContact O-N 3.09Å; E114-W118 VanDerWaalsContact O-N 3.15Å
115V78.4Confident78.9Confident10 Ų1086.1 Ų86.16%0.06146%0.464CS..Hα-helixtrans-65.6-41.6173.1178.30000111L110 L111 L112 A117 W118 M126 V154L110-V115 HydrophobicContact CB-CG2 3.87Å; L110-V115 HydrophobicContact CD1-CG2 4.23Å; L111-V115 PolarHBondContact O-N 2.98Å; L112-V115 PolarHBondContact O-N 2.87Å; V115-A117 VanDerWaalsContact C-N 3.29Å; V115-A117 PolarHBondContact O-N 3.22Å; V115-W118 WeakPolarHBondContact O-CB 3.39Å; V115-W118 PolarHBondContact O-N 3.29Å; V115-W118 VanDerWaalsContact O-N 3.14Å; V115-M126 HydrophobicContact CG1-SD 4.08Å; V115-M126 HydrophobicContact CG2-CE 4.01Å; V115-M126 HydrophobicContact CG2-SD 4.11Å; V115-V154 HydrophobicContact CG1-CG2 4.37Å
116L72.3Confident79.4Confident105 Ų10579.9 Ų79.955%0.5544%0.436SS..Hα-helixtrans-69.2-25.8177.2-70.7173000113.3L112 W118 L157L112-L116 HydrophobicContact CD1-CG 4.43Å; L112-L116 HydrophobicContact CG-CD1 4.17Å; L112-L116 HydrophobicContact CG-CG 4.41Å; L112-L116 WeakPolarHBondContact O-CB 3.36Å; L112-L116 VanDerWaalsContact O-CG 3.28Å; L112-L116 WeakPolarHBondContact O-CG 3.42Å; L112-L116 PolarHBondContact O-N 3.3Å; L116-W118 VanDerWaalsContact C-N 3.32Å; L116-L157 WeakPolarHBondContact O-CD2 3.41Å
117A74Confident79.7Confident74 Ų7481.3 Ų81.361%0.61244%0.443SS*.THydrogen-bonded Turntrans-90.33.7173.300000112.7S113 E114 V115 E119S113-A117 WeakPolarHBondContact O-CB 3.23Å; S113-A117 PolarHBondContact O-N 3.18Å; S113-A117 VanDerWaalsContact O-N 3.09Å; E114-A117 CarbonylContact O-C 3.57Å; E114-A117 PolarHBondContact O-N 3.11Å; V115-A117 VanDerWaalsContact C-N 3.29Å; V115-A117 PolarHBondContact O-N 3.22Å; A117-E119 PolarHBondContact O-N 3.08Å
118W79.6Confident80.1Confident74 Ų7475.8 Ų75.828%0.2842%0.415SS..  trans-74.6123.3-177-164.5-97.3000110.6E114 V115 L116 G120 F122E114-W118 PolarHBondContact O-N 3.09Å; E114-W118 VanDerWaalsContact O-N 3.15Å; V115-W118 WeakPolarHBondContact O-CB 3.39Å; V115-W118 PolarHBondContact O-N 3.29Å; V115-W118 VanDerWaalsContact O-N 3.14Å; L116-W118 VanDerWaalsContact C-N 3.32Å; W118-G120 VanDerWaalsContact CD1-N 3.28Å; W118-G120 VanDerWaalsContact NE1-C 3.26Å; W118-G120 PolarHBondContact NE1-O 2.89Å; W118-G120 VanDerWaalsContact NE1-O 3.12Å; W118-F122 AromaticContact CD1-CZ 3.99Å; W118-F122 WeakPolarHBondContact O-CZ 3.16Å
119E78.3Confident80.1Confident186 Ų18671 Ų7187%0.86940%0.396SS*.  trans-92.5-6.3-178.3-62.6-170.9158.500113.4A117A117-E119 PolarHBondContact O-N 3.08Å
120G78.9Confident80Confident25 Ų2573.7 Ų73.726%0.25841%0.406SS..  trans129.6176178.700000113.1W118W118-G120 VanDerWaalsContact CD1-N 3.28Å; W118-G120 VanDerWaalsContact NE1-C 3.26Å; W118-G120 PolarHBondContact NE1-O 2.89Å; W118-G120 VanDerWaalsContact NE1-O 3.12Å
121P82.7Confident79.7Confident110 Ų11074.4 Ų74.471%0.71441%0.412SS*.  cis-78.5157.6731.7-35.4000113.7
122F81.2Confident79.2Confident67 Ų6775 Ų7529%0.29442%0.422SS..SBendtrans-118.8156.9173.6-62.4-75.9000109.9W118 L124 V154 Y155 L157W118-F122 AromaticContact CD1-CZ 3.99Å; W118-F122 WeakPolarHBondContact O-CZ 3.16Å; F122-L124 HydrophobicContact CD1-CB 4.48Å; F122-V154 HydrophobicContact CD1-CG1 4.23Å; F122-V154 WeakPolarHBondContact CD1-O 3.35Å; F122-V154 HydrophobicContact CE1-CG1 3.84Å; F122-Y155 WeakPolarHBondContact CB-O 3.37Å; F122-L157 HydrophobicContact CZ-CG 4.43Å
123P84.7Confident78.4Confident88 Ų8879.5 Ų79.557%0.57144%0.44SS*.SBendcis-75.2144.9-1.831-34.6000112.8V154 Y155P123-V154 CarbonylContact C-O 3.56Å; P123-V154 WeakPolarHBondContact CA-O 3.36Å; P123-Y155 HydrophobicContact CB-CD1 3.94Å; P123-Y155 HydrophobicContact CB-CE1 4.08Å
124L83Confident78Confident42 Ų4278.9 Ų78.922%0.2245%0.446CS..EExtended strand (participates in β ladder)trans-109.8112.9179.1-175.768.3000110.2F122 V154F122-L124 HydrophobicContact CD1-CB 4.48Å; L124-V154 HydrophobicContact CB-CB 4.41Å; L124-V154 PolarHBondContact N-O 3.24Å; L124-V154 PolarHBondContact O-N 2.85Å
125S83.8Confident77Confident64 Ų6486.1 Ų86.145%0.44847%0.469SS..EExtended strand (participates in β ladder)trans-81.8126169.7-179.90000109.4R151 L152S125-R151 PolarHBondContact OG-NH2 3.39Å; S125-L152 CarbonylContact C-O 3.56Å; S125-L152 WeakPolarHBondContact CA-O 3Å
126M85.9Confident76.1Confident48 Ų4889.3 Ų89.324%0.23649%0.49CS..EExtended strand (participates in β ladder)trans-134.5159.317662.3-179.2-71.400110.8V115 R151 L152 V154V115-M126 HydrophobicContact CG1-SD 4.08Å; V115-M126 HydrophobicContact CG2-CE 4.01Å; V115-M126 HydrophobicContact CG2-SD 4.11Å; M126-R151 CarbonylContact O-C 3.5Å; M126-R151 VanDerWaalsContact O-CA 3.3Å; M126-R151 WeakPolarHBondContact O-CA 3.3Å; M126-L152 HydrophobicContact CG-CB 4.02Å; M126-L152 PolarHBondContact N-O 2.76Å; M126-L152 PolarHBondContact O-N 3.2Å; M126-V154 HydrophobicContact CG-CG2 4.43Å; M126-V154 HydrophobicContact SD-CG2 3.89Å
127E86.7Confident75.1Confident96 Ų9691.2 Ų91.245%0.44950%0.499SS..EExtended strand (participates in β ladder)trans-113.3140.7175-172.3-178.5142.800109.5L129 G149 Q150 R151E127-L129 HydrophobicContact CB-CD2 4.42Å; E127-L129 HydrophobicContact CG-CD2 4.42Å; E127-L129 PolarHBondContact O-N 2.97Å; E127-G149 WeakPolarHBondContact OE1-CA 3.29Å; E127-Q150 WeakPolarHBondContact CA-O 3.39Å; E127-R151 HydrophobicContact CB-CG 4.49Å; E127-R151 HydrophobicContact CG-CG 4.49Å
128I85.4Confident74.3Confident19 Ų1993.4 Ų93.410%0.09750%0.495CS..  trans-75.9106.9175.7-57.1177.8000108.5V131 L146 Q147 K148 G149 Q150 L152I128-V131 HydrophobicContact CG2-CG2 3.74Å; I128-L146 HydrophobicContact CD1-CB 3.94Å; I128-L146 HydrophobicContact CD1-CD2 3.86Å; I128-L146 HydrophobicContact CD1-CG 4.41Å; I128-Q147 WeakPolarHBondContact CB-O 3.48Å; I128-K148 CarbonylContact O-C 3.54Å; I128-K148 WeakPolarHBondContact O-CA 3.28Å; I128-G149 PolarHBondContact O-N 2.93Å; I128-Q150 HydrophobicContact CD1-CB 4.17Å; I128-Q150 PolarHBondContact N-O 3.15Å; I128-L152 HydrophobicContact CD1-CD1 3.76Å; I128-L152 HydrophobicContact CD1-CD2 4.31Å; I128-L152 HydrophobicContact CD1-CG 4.04Å; I128-L152 HydrophobicContact CG1-CD1 3.72Å; I128-L152 HydrophobicContact CG1-CG 3.99Å
129L79.8Confident73.3Confident44 Ų4495.8 Ų95.823%0.2351%0.513CS..  trans-85.9-32.2-179.8-55.7176.7000112.1I37 S38 I107 P109 E127 K148I37-L129 HydrophobicContact CD1-CB 4.01Å; I37-L129 HydrophobicContact CD1-CD1 3.54Å; I37-L129 HydrophobicContact CD1-CG 4.31Å; S38-L129 PolarHBondContact OG-O 3.04Å; I107-L129 HydrophobicContact CG2-CD1 4.36Å; P109-L129 HydrophobicContact CB-CD1 4.1Å; P109-L129 HydrophobicContact CG-CD1 4.31Å; E127-L129 HydrophobicContact CB-CD2 4.42Å; E127-L129 HydrophobicContact CG-CD2 4.42Å; E127-L129 PolarHBondContact O-N 2.97Å; L129-K148 WeakPolarHBondContact O-CD 3.4Å; L129-K148 WeakPolarHBondContact O-CE 3.47Å; L129-K148 WeakPolarHBondContact O-CG 3.48Å
130E78.5Confident72.4Confident89 Ų8988.5 Ų88.542%0.41648%0.483SS..  trans-146.5143179.8-167-174.3154.400109.6
131V74.8Confident71.5Confident63 Ų6393 Ų9338%0.38251%0.507SS..  trans-110.7138.2174.3-177.80000107.9I128 E133I128-V131 HydrophobicContact CG2-CG2 3.74Å; V131-E133 PolarHBondContact O-N 3.3Å
132P67.7Low70.5Confident104 Ų10495.3 Ų95.368%0.67550%0.502SS*.  trans-58.6127.9-179.8-1928.6000111.9G134P132-G134 PolarHBondContact O-N 3.45Å
133E59.7Low69.9Low196 Ų19693.8 Ų93.892%0.91650%0.498SS*.SBendtrans-72.6114168.6-64.2-170.6168.300109.7V131V131-E133 PolarHBondContact O-N 3.3Å
134G62.3Low69Low65 Ų6593 Ų9367%0.6751%0.506SS*.SBendtrans139.6-166.3175.700000114.2P132P132-G134 PolarHBondContact O-N 3.45Å
135R58.5Low68.4Low239 Ų23993.9 Ų93.990%0.90252%0.516SS*.SBendtrans-68.4131.3177.5-69.1-177.1-179.1179.40.8109.4I137R135-I137 PolarHBondContact O-N 3.4Å
136P59.5Low68.1Low78 Ų7893.9 Ų93.951%0.50651%0.51SS..  trans-61.1131.7-178.922.7-31.8000110.8F138 V143P136-F138 PolarHBondContact O-N 3.33Å; P136-V143 HydrophobicContact CB-CG1 3.54Å; P136-V143 HydrophobicContact CG-CG1 4.4Å
137I52.2Low67.8Low144 Ų14497.9 Ų97.974%0.73853%0.528SS*.SBendtrans-68-28.2177.3-54.4170.5000110.1R135R135-I137 PolarHBondContact O-N 3.4Å
138F57Low67.5Low121 Ų12197.7 Ų97.753%0.53153%0.526SS..SBendtrans-104.3125.9177.8-57.7-76.4000110.7L112 P136 S140 V143L112-F138 HydrophobicContact CD2-CE2 4.03Å; P136-F138 PolarHBondContact O-N 3.33Å; F138-S140 VanDerWaalsContact C-N 3.32Å; F138-S140 PolarHBondContact O-N 3.16Å; F138-V143 HydrophobicContact CB-CG2 3.75Å
139L58Low67.3Low124 Ų12498.6 Ų98.665%0.64954%0.54SS*.  trans-87.272.3171.5-63.6172000108.9P242L139-P242 HydrophobicContact CB-CG 4.32Å
140S60.4Low67.6Low33 Ų3399.8 Ų99.823%0.23155%0.545CS..  trans-119.4143.4171.9100.60000111.1F138 W142 V143F138-S140 VanDerWaalsContact C-N 3.32Å; F138-S140 PolarHBondContact O-N 3.16Å; S140-W142 PolarHBondContact O-N 3.15Å; S140-W142 VanDerWaalsContact O-N 3.15Å; S140-W142 PolarHBondContact OG-N 3.28Å; S140-V143 WeakPolarHBondContact O-CB 3.49Å; S140-V143 PolarHBondContact O-N 2.87Å; S140-V143 VanDerWaalsContact O-N 3.08Å; S140-V143 VanDerWaalsContact OG-CG2 3.22Å; S140-V143 WeakPolarHBondContact OG-CG2 3.22Å; S140-V143 PolarHBondContact OG-N 3.17Å; S140-V143 VanDerWaalsContact OG-N 3.09Å
141P60.3Low67.9Low119 Ų119104.2 Ų104.277%0.77356%0.557SS**THydrogen-bonded Turntrans-57.7-26.4173.6-2131.4000112.4
142W61.8Low68.3Low158 Ų158103.7 Ų103.760%0.59855%0.552SS**THydrogen-bonded Turntrans-81.6-18.6-179.3-58-0.4000112.6S140 G144 S145 L146S140-W142 PolarHBondContact O-N 3.15Å; S140-W142 VanDerWaalsContact O-N 3.15Å; S140-W142 PolarHBondContact OG-N 3.28Å; W142-G144 PolarHBondContact O-N 2.89Å; W142-S145 WeakPolarHBondContact O-CA 3.41Å; W142-S145 WeakPolarHBondContact O-CB 3.5Å; W142-S145 PolarHBondContact O-N 3.27Å; W142-S145 PolarHBondContact O-OG 3.02Å; W142-L146 PolarHBondContact O-N 2.9Å
143V67.3Low69Low36 Ų36101.7 Ų101.722%0.21854%0.54CS..G310 helixtrans-61.5-36178.9170.50000111.5P136 F138 S140 S145 L146P136-V143 HydrophobicContact CB-CG1 3.54Å; P136-V143 HydrophobicContact CG-CG1 4.4Å; F138-V143 HydrophobicContact CB-CG2 3.75Å; S140-V143 WeakPolarHBondContact O-CB 3.49Å; S140-V143 PolarHBondContact O-N 2.87Å; S140-V143 VanDerWaalsContact O-N 3.08Å; S140-V143 VanDerWaalsContact OG-CG2 3.22Å; S140-V143 WeakPolarHBondContact OG-CG2 3.22Å; S140-V143 PolarHBondContact OG-N 3.17Å; S140-V143 VanDerWaalsContact OG-N 3.09Å; V143-S145 PolarHBondContact O-N 3.42Å; V143-L146 PolarHBondContact O-N 2.85Å
144G65.8Low70Confident72 Ų7293.9 Ų93.974%0.74251%0.506SS*.G310 helixtrans-66.9-16.3173.100000114.1W142W142-G144 PolarHBondContact O-N 2.89Å
145S72.2Confident70.7Confident60 Ų6099.6 Ų99.642%0.4251%0.508SS..G310 helixtrans-91.2-14.4176.273.80000113.5W142 V143 Q147 Q150W142-S145 WeakPolarHBondContact O-CA 3.41Å; W142-S145 WeakPolarHBondContact O-CB 3.5Å; W142-S145 PolarHBondContact O-N 3.27Å; W142-S145 PolarHBondContact O-OG 3.02Å; V143-S145 PolarHBondContact O-N 3.42Å; S145-Q147 PolarHBondContact O-N 3.43Å; S145-Q150 PolarHBondContact O-OE1 2.6Å
146L76.9Confident71.2Confident63 Ų6389.7 Ų89.733%0.3348%0.481SS..  trans-73.5106.7178.7-64.3177.1000109.9I128 W142 V143 L152I128-L146 HydrophobicContact CD1-CB 3.94Å; I128-L146 HydrophobicContact CD1-CD2 3.86Å; I128-L146 HydrophobicContact CD1-CG 4.41Å; W142-L146 PolarHBondContact O-N 2.9Å; V143-L146 PolarHBondContact O-N 2.85Å; L146-L152 HydrophobicContact CD2-CD1 4.37Å; L146-L152 HydrophobicContact CD2-CD2 3.86Å
147Q78.5Confident71.6Confident133 Ų13390.2 Ų90.262%0.62148%0.479SS*.  trans-115.2153.1179.2-64.1-174.51.500111.4I128 S145 G149 Q150I128-Q147 WeakPolarHBondContact CB-O 3.48Å; S145-Q147 PolarHBondContact O-N 3.43Å; Q147-G149 PolarHBondContact O-N 3.09Å; Q147-Q150 WeakPolarHBondContact O-CB 3.42Å; Q147-Q150 PolarHBondContact O-N 3.25Å; Q147-Q150 VanDerWaalsContact O-N 3.11Å
148K82.1Confident72.1Confident91 Ų9186.4 Ų86.440%0.39647%0.469SS..THydrogen-bonded Turntrans-53.5138.8168.3-178.9-179.8177.5-168.80110E36 S38 N40 I128 L129 Q150E36-K148 IonicContact OE1-NZ 2.73Å; E36-K148 PolarHBondContact OE1-NZ 3.1Å; S38-K148 VanDerWaalsContact OG-CE 3.29Å; S38-K148 WeakPolarHBondContact OG-CE 3.47Å; S38-K148 PolarHBondContact OG-NZ 3.29Å; N40-K148 PolarHBondContact ND2-NZ 3.19Å; I128-K148 CarbonylContact O-C 3.54Å; I128-K148 WeakPolarHBondContact O-CA 3.28Å; L129-K148 WeakPolarHBondContact O-CD 3.4Å; L129-K148 WeakPolarHBondContact O-CE 3.47Å; L129-K148 WeakPolarHBondContact O-CG 3.48Å; K148-Q150 VanDerWaalsContact C-N 3.27Å; K148-Q150 PolarHBondContact O-N 3.38Å
149G81.1Confident72.1Confident39 Ų3985.9 Ų85.940%0.40248%0.481SS..THydrogen-bonded Turntrans84.9-8.7-17700000114.4E127 I128 Q147E127-G149 WeakPolarHBondContact OE1-CA 3.29Å; I128-G149 PolarHBondContact O-N 2.93Å; Q147-G149 PolarHBondContact O-N 3.09Å
150Q84.7Confident72Confident69 Ų6980.6 Ų80.632%0.32245%0.453SS..  trans-74.5135.2178-171.8175.8-13.800111E127 I128 S145 Q147 K148E127-Q150 WeakPolarHBondContact CA-O 3.39Å; I128-Q150 HydrophobicContact CD1-CB 4.17Å; I128-Q150 PolarHBondContact N-O 3.15Å; S145-Q150 PolarHBondContact O-OE1 2.6Å; Q147-Q150 WeakPolarHBondContact O-CB 3.42Å; Q147-Q150 PolarHBondContact O-N 3.25Å; Q147-Q150 VanDerWaalsContact O-N 3.11Å; K148-Q150 VanDerWaalsContact C-N 3.27Å; K148-Q150 PolarHBondContact O-N 3.38Å
151R84.6Confident71.8Confident181 Ų18183.5 Ų83.568%0.68347%0.472SS*.EExtended strand (participates in β ladder)trans-87.1128.9174.1-65.4178.968.7152.12.7110.5S125 M126 E127S125-R151 PolarHBondContact OG-NH2 3.39Å; M126-R151 CarbonylContact O-C 3.5Å; M126-R151 VanDerWaalsContact O-CA 3.3Å; M126-R151 WeakPolarHBondContact O-CA 3.3Å; E127-R151 HydrophobicContact CB-CG 4.49Å; E127-R151 HydrophobicContact CG-CG 4.49Å
152L83.5Confident71.6Confident53 Ų5381.1 Ų81.128%0.27745%0.447SS..EExtended strand (participates in β ladder)trans-111145.3173.8-58.2178.7000109.4S125 M126 I128 L146S125-L152 CarbonylContact C-O 3.56Å; S125-L152 WeakPolarHBondContact CA-O 3Å; M126-L152 HydrophobicContact CG-CB 4.02Å; M126-L152 PolarHBondContact N-O 2.76Å; M126-L152 PolarHBondContact O-N 3.2Å; I128-L152 HydrophobicContact CD1-CD1 3.76Å; I128-L152 HydrophobicContact CD1-CD2 4.31Å; I128-L152 HydrophobicContact CD1-CG 4.04Å; I128-L152 HydrophobicContact CG1-CD1 3.72Å; I128-L152 HydrophobicContact CG1-CG 3.99Å; L146-L152 HydrophobicContact CD2-CD1 4.37Å; L146-L152 HydrophobicContact CD2-CD2 3.86Å
153C83.1Confident71.6Confident61 Ų6175.4 Ų75.441%0.41243%0.426SS..EExtended strand (participates in β ladder)trans-113.8114.7170.9-167.10000108.3Y155C153-Y155 HydrophobicContact CB-CD2 4.45Å; C153-Y155 HydrophobicContact CB-CE2 3.77Å; C153-Y155 VanDerWaalsContact SG-CE2 3.57Å; C153-Y155 VanDerWaalsContact SG-CZ 3.54Å
154V81.1Confident71.4Confident33 Ų3373.8 Ų73.820%0.242%0.416CS..EExtended strand (participates in β ladder)trans-94.5115.4177-175.50000108V115 F122 P123 L124 M126V115-V154 HydrophobicContact CG1-CG2 4.37Å; F122-V154 HydrophobicContact CD1-CG1 4.23Å; F122-V154 WeakPolarHBondContact CD1-O 3.35Å; F122-V154 HydrophobicContact CE1-CG1 3.84Å; P123-V154 CarbonylContact C-O 3.56Å; P123-V154 WeakPolarHBondContact CA-O 3.36Å; L124-V154 HydrophobicContact CB-CB 4.41Å; L124-V154 PolarHBondContact N-O 3.24Å; L124-V154 PolarHBondContact O-N 2.85Å; M126-V154 HydrophobicContact CG-CG2 4.43Å; M126-V154 HydrophobicContact SD-CG2 3.89Å
155Y75.6Confident71.3Confident184 Ų18472.7 Ų72.772%0.72239%0.392SS*.  trans-90.4-11.8-176.8-73.3-89.1000114F122 P123 C153F122-Y155 WeakPolarHBondContact CB-O 3.37Å; P123-Y155 HydrophobicContact CB-CD1 3.94Å; P123-Y155 HydrophobicContact CB-CE1 4.08Å; C153-Y155 HydrophobicContact CB-CD2 4.45Å; C153-Y155 HydrophobicContact CB-CE2 3.77Å; C153-Y155 VanDerWaalsContact SG-CE2 3.57Å; C153-Y155 VanDerWaalsContact SG-CZ 3.54Å
156G70.4Confident71.1Confident32 Ų3270 Ų7033%0.3337%0.374SS..  trans158.8170.7-178.100000111
157L67.8Low70.7Confident88 Ų8867.6 Ų67.646%0.46136%0.363SS..  trans-74.2131.3164.7-62.1175.1000108.1L116 F122 S159L116-L157 WeakPolarHBondContact O-CD2 3.41Å; F122-L157 HydrophobicContact CZ-CG 4.43Å; L157-S159 PolarHBondContact O-N 3.23Å
158A61.1Low70.3Confident65 Ų6561.7 Ų61.754%0.53734%0.336SS..  trans-57.7127.9169.700000108.3P160 P161A158-P160 CarbonylContact C-O 3.5Å; A158-P160 CarbonylContact O-C 3.52Å; A158-P161 WeakPolarHBondContact O-CA 3.48Å; A158-P161 VanDerWaalsContact O-N 3.08Å
159S57Low69.4Low110 Ų11062.7 Ų62.777%0.76934%0.34SS*.SBendtrans-117.6113.6170.4-1750000107.7L157L157-S159 PolarHBondContact O-N 3.23Å
160P56.9Low68.6Low12 Ų1264.7 Ų64.78%0.07836%0.361CS..SBendcis-72.8154.6-6.927.5-30.9000112.6A158 W162 S180A158-P160 CarbonylContact C-O 3.5Å; A158-P160 CarbonylContact O-C 3.52Å; P160-W162 PolarHBondContact O-N 3.2Å; P160-S180 WeakPolarHBondContact CG-OG 3.43Å
161P55.4Low67.6Low94 Ų9467 Ų6761%0.6137%0.366SS*.SBendtrans-64.1-15-165.522.3-34000115.8A158A158-P161 WeakPolarHBondContact O-CA 3.48Å; A158-P161 VanDerWaalsContact O-N 3.08Å
162W56.1Low66.6Low70 Ų7069 Ų6927%0.26538%0.38SS..  trans-164.8158.4174.651.5-83000110.2P160 V164 G181 A197 L201P160-W162 PolarHBondContact O-N 3.2Å; W162-V164 HydrophobicContact CE3-CG2 3.92Å; W162-V164 HydrophobicContact CZ3-CG2 3.67Å; W162-G181 PolarHBondContact O-N 3.14Å; W162-A197 HydrophobicContact CH2-CB 3.31Å; W162-A197 HydrophobicContact CZ3-CB 3.28Å; W162-A197 WeakPolarHBondContact CZ3-O 3.36Å; W162-L201 HydrophobicContact CD2-CD1 4.47Å; W162-L201 HydrophobicContact CE3-CD1 3.85Å; W162-L201 HydrophobicContact CZ3-CD1 4.3Å
163R62.4Low65.8Low38 Ų3871.6 Ų71.614%0.14340%0.398CS..EExtended strand (participates in β ladder)trans-136.5141.3-173.3-78.9160.1174.8-154.123.9109L178 V179 E221 E224R163-L178 HydrophobicContact CB-CD1 3.72Å; R163-L178 HydrophobicContact CB-CD2 4.11Å; R163-L178 HydrophobicContact CB-CG 3.66Å; R163-L178 VanDerWaalsContact CD-CD2 3.41Å; R163-L178 HydrophobicContact CG-CD1 4.43Å; R163-L178 HydrophobicContact CG-CD2 3.9Å; R163-L178 HydrophobicContact CG-CG 3.83Å; R163-V179 CarbonylContact C-O 3.54Å; R163-V179 WeakPolarHBondContact CA-O 3.37Å; R163-E221 IonicContact NH2-OE2 3.47Å; R163-E224 IonicContact CZ-OE2 3.95Å; R163-E224 IonicContact NH1-OE2 2.66Å; R163-E224 PolarHBondContact NH1-OE2 3.44Å; R163-E224 IonicContact NH2-OE2 3.56Å; R163-E224 PolarHBondContact NH2-OE2 2.91Å
164V62.5Low65Low1 Ų172.2 Ų72.21%0.00640%0.401CS..EExtended strand (participates in β ladder)trans-117128.4179.6173.80000109.3W162 A166 V179 A197 L201 V239W162-V164 HydrophobicContact CE3-CG2 3.92Å; W162-V164 HydrophobicContact CZ3-CG2 3.67Å; V164-A166 PolarHBondContact O-N 3.24Å; V164-V179 HydrophobicContact CB-CB 4.46Å; V164-V179 PolarHBondContact N-O 3.26Å; V164-V179 PolarHBondContact O-N 2.9Å; V164-A197 HydrophobicContact CG2-CB 4.15Å; V164-L201 HydrophobicContact CG2-CD1 4.23Å; V164-L201 HydrophobicContact CG2-CD2 4.01Å; V164-L201 HydrophobicContact CG2-CG 3.93Å; V164-V239 HydrophobicContact CG1-CG1 3.8Å
165L65.2Low64.4Low49 Ų4975.9 Ų75.926%0.25741%0.411SS..EExtended strand (participates in β ladder)trans-80.7121.4174.7-168.370.3000109.9H176 F177 F228 L240 G241L165-H176 HydrophobicContact CD1-CB 4.09Å; L165-F177 WeakPolarHBondContact CA-O 3.11Å; L165-F228 HydrophobicContact CD1-CE1 4.23Å; L165-L240 HydrophobicContact CD2-CB 4.45Å; L165-L240 HydrophobicContact CD2-CD1 3.87Å; L165-L240 HydrophobicContact CG-CD1 4.18Å; L165-L240 PolarHBondContact O-N 3.02Å; L165-G241 PolarHBondContact N-O 3.19Å
166A66.6Low64.1Low3 Ų370.8 Ų70.83%0.02539%0.394CS..EExtended strand (participates in β ladder)trans-120.5140.5177.100000110.2V164 H176 F177 V179 L237 E238V164-A166 PolarHBondContact O-N 3.24Å; A166-H176 CarbonylContact O-C 3.56Å; A166-H176 WeakPolarHBondContact O-CA 3.45Å; A166-F177 HydrophobicContact CB-CB 4.4Å; A166-F177 PolarHBondContact N-O 3.05Å; A166-F177 PolarHBondContact O-N 3.16Å; A166-V179 HydrophobicContact CB-CG2 4.09Å; A166-L237 HydrophobicContact CB-CB 4.02Å; A166-L237 HydrophobicContact CB-CD1 4.07Å; A166-L237 HydrophobicContact CB-CD2 4.19Å; A166-L237 HydrophobicContact CB-CG 4.31Å; A166-E238 CarbonylContact C-O 3.57Å; A166-E238 WeakPolarHBondContact CA-O 3.31Å
167S68.4Low64Low14 Ų1469.3 Ų69.310%0.09838%0.379CS..EExtended strand (participates in β ladder)trans-114.3137.4174.1-1670000111.3R175 L237 E238S167-R175 CarbonylContact C-O 3.21Å; S167-R175 WeakPolarHBondContact CA-O 3.36Å; S167-L237 CarbonylContact O-C 3.44Å; S167-L237 WeakPolarHBondContact O-CA 3.21Å; S167-E238 PolarHBondContact N-O 2.95Å; S167-E238 PolarHBondContact O-N 2.61Å
168S70.1Confident63.9Low9 Ų967 Ų676%0.06337%0.366CS..EExtended strand (participates in β ladder)trans-74.9129.5175.150.80000111.6R175 R236S168-R175 PolarHBondContact N-O 3.28Å; S168-R175 WeakPolarHBondContact OG-CB 3.3Å; S168-R175 PolarHBondContact OG-N 3.39Å; S168-R175 PolarHBondContact OG-O 2.73Å; S168-R236 WeakPolarHBondContact CA-O 3.23Å
169K64.4Low64.2Low112 Ų11264 Ų6449%0.48734%0.341SS..SBendtrans-100.6123.8174.8-168.6169-175160.40111.2R211 R236K169-R211 VanDerWaalsContact NZ-CZ 3.26Å; K169-R236 PolarHBondContact N-O 3.07Å
170G63.2Low64.7Low80 Ų8059.9 Ų59.983%0.82531%0.313SS*.SBendtrans119.70.9173.100000115.9
171R63.7Low64.9Low117 Ų11760.8 Ų60.844%0.44232%0.324SS..SBendtrans-96.4151.6170.9-63.6-176.9-174.5-119.86.1110.1V173 D235R171-V173 WeakPolarHBondContact CB-O 3.33Å; R171-V173 PolarHBondContact O-N 3.15Å; R171-D235 IonicContact NH2-OD1 3.72Å; R171-D235 PolarHBondContact NH2-OD1 3.25Å
172K64.4Low65.3Low224 Ų22458.7 Ų58.797%0.97432%0.319SS*.SBendtrans-58.2-27.9174.9-87-175.5175.9-179.10112.9
173V67.3Low66.1Low107 Ų10756.5 Ų56.565%0.64831%0.311SS*.SBendtrans-122.8122.1174.1-1780000107.5R171 R175R171-V173 WeakPolarHBondContact CB-O 3.33Å; R171-V173 PolarHBondContact O-N 3.15Å; V173-R175 PolarHBondContact O-N 3.43Å
174P64.8Low66.4Low75 Ų7562.3 Ų62.349%0.48734%0.34SS..PPolyproline II helixtrans-65.2130.2177.125.8-31.3000109.8
175R69.1Low67Low110 Ų11062.6 Ų62.642%0.41534%0.343SS..PPolyproline II helixtrans-100.5134.7170.3-62.2-178.6179.4-179.6-4.9109.4S167 S168 V173 F177S167-R175 CarbonylContact C-O 3.21Å; S167-R175 WeakPolarHBondContact CA-O 3.36Å; S168-R175 PolarHBondContact N-O 3.28Å; S168-R175 WeakPolarHBondContact OG-CB 3.3Å; S168-R175 PolarHBondContact OG-N 3.39Å; S168-R175 PolarHBondContact OG-O 2.73Å; V173-R175 PolarHBondContact O-N 3.43Å; R175-F177 HydrophobicContact CB-CE1 4.49Å; R175-F177 HydrophobicContact CB-CE2 3.7Å; R175-F177 HydrophobicContact CB-CZ 3.64Å; R175-F177 WeakPolarHBondContact O-CD2 3.39Å; R175-F177 VanDerWaalsContact O-CE2 3.23Å; R175-F177 WeakPolarHBondContact O-CE2 3.31Å
176H69.6Low67.8Low77 Ų7764.6 Ų64.636%0.35635%0.35SS..EExtended strand (participates in β ladder)trans-100.4139.9176.5-5992.7000109.4L165 A166L165-H176 HydrophobicContact CD1-CB 4.09Å; A166-H176 CarbonylContact O-C 3.56Å; A166-H176 WeakPolarHBondContact O-CA 3.45Å
177F67.3Low68.6Low1 Ų164.5 Ų64.50%0.00435%0.349CS..EExtended strand (participates in β ladder)trans-130.4142.5-176.1-55.7-88.7000108.9L165 A166 R175 T229 S230 L231 L237L165-F177 WeakPolarHBondContact CA-O 3.11Å; A166-F177 HydrophobicContact CB-CB 4.4Å; A166-F177 PolarHBondContact N-O 3.05Å; A166-F177 PolarHBondContact O-N 3.16Å; R175-F177 HydrophobicContact CB-CE1 4.49Å; R175-F177 HydrophobicContact CB-CE2 3.7Å; R175-F177 HydrophobicContact CB-CZ 3.64Å; R175-F177 WeakPolarHBondContact O-CD2 3.39Å; R175-F177 VanDerWaalsContact O-CE2 3.23Å; R175-F177 WeakPolarHBondContact O-CE2 3.31Å; F177-T229 VanDerWaalsContact CD1-O 3.23Å; F177-T229 WeakPolarHBondContact CD1-O 3.46Å; F177-T229 VanDerWaalsContact CE1-OG1 3.25Å; F177-T229 WeakPolarHBondContact CE1-OG1 3.46Å; F177-S230 VanDerWaalsContact CE1-O 3.27Å; F177-S230 WeakPolarHBondContact CE1-O 3.21Å; F177-L231 HydrophobicContact CB-CD2 3.74Å; F177-L231 HydrophobicContact CB-CG 4.18Å; F177-L231 HydrophobicContact CD1-CD2 3.36Å; F177-L231 HydrophobicContact CD1-CG 3.72Å; F177-L231 HydrophobicContact CD2-CD2 3.98Å; F177-L231 HydrophobicContact CE1-CD2 3.91Å; F177-L231 HydrophobicContact CE1-CG 4.41Å; F177-L231 HydrophobicContact CE2-CD2 4.45Å; F177-L231 HydrophobicContact CG-CD2 3.4Å; F177-L231 VanDerWaalsContact CG-CD2 3.4Å; F177-L231 HydrophobicContact CG-CG 4.09Å; F177-L231 HydrophobicContact CZ-CD2 4.41Å; F177-L237 HydrophobicContact CD2-CD2 3.61Å; F177-L237 HydrophobicContact CE2-CD2 3.91Å; F177-L237 HydrophobicContact CG-CD2 4.33Å
178L67Low69.3Low38 Ų3868.6 Ų68.620%0.19936%0.362CS..EExtended strand (participates in β ladder)trans-105.3102175.1-160.368.4000107.8R163 F228 A245R163-L178 HydrophobicContact CB-CD1 3.72Å; R163-L178 HydrophobicContact CB-CD2 4.11Å; R163-L178 HydrophobicContact CB-CG 3.66Å; R163-L178 VanDerWaalsContact CD-CD2 3.41Å; R163-L178 HydrophobicContact CG-CD1 4.43Å; R163-L178 HydrophobicContact CG-CD2 3.9Å; R163-L178 HydrophobicContact CG-CG 3.83Å; L178-F228 HydrophobicContact CB-CD1 4.25Å; L178-F228 HydrophobicContact CB-CG 4.34Å; L178-A245 HydrophobicContact CD2-CB 4.36Å
179V67.2Low69.9Low3 Ų374.3 Ų74.32%0.01838%0.383CS..EExtended strand (participates in β ladder)trans-86.9115.1178.9-171.50000108.5R163 V164 A166 Y183 L187 A197 L231 L237R163-V179 CarbonylContact C-O 3.54Å; R163-V179 WeakPolarHBondContact CA-O 3.37Å; V164-V179 HydrophobicContact CB-CB 4.46Å; V164-V179 PolarHBondContact N-O 3.26Å; V164-V179 PolarHBondContact O-N 2.9Å; A166-V179 HydrophobicContact CB-CG2 4.09Å; V179-Y183 HydrophobicContact CG1-CG 4.4Å; V179-L187 HydrophobicContact CG1-CD1 3.92Å; V179-A197 HydrophobicContact CB-CB 4.48Å; V179-A197 HydrophobicContact CG1-CB 3.92Å; V179-L231 HydrophobicContact CG2-CD1 3.95Å; V179-L237 HydrophobicContact CG2-CD1 4.4Å
180S66.8Low70.2Confident24 Ų2479.4 Ų79.417%0.16840%0.399CS..EExtended strand (participates in β ladder)trans-91.3158-175.899.30000112.1P160 G182 Y183P160-S180 WeakPolarHBondContact CG-OG 3.43Å; S180-G182 PolarHBondContact O-N 2.67Å; S180-G182 VanDerWaalsContact O-N 3.1Å; S180-G182 PolarHBondContact OG-N 2.99Å; S180-G182 VanDerWaalsContact OG-N 3.14Å; S180-Y183 WeakPolarHBondContact O-CB 3.26Å; S180-Y183 PolarHBondContact O-N 2.85Å; S180-Y183 VanDerWaalsContact O-N 3.11Å
181G62.4Low70.9Confident30 Ų3081.9 Ų81.931%0.30940%0.4SS..THydrogen-bonded Turntrans-58.8-17.117200000114.4W162W162-G181 PolarHBondContact O-N 3.14Å
182G63.6Low71.9Confident50 Ų5084.5 Ų84.552%0.51541%0.41SS..THydrogen-bonded Turntrans-85.11176.100000115S180 Q184S180-G182 PolarHBondContact O-N 2.67Å; S180-G182 VanDerWaalsContact O-N 3.1Å; S180-G182 PolarHBondContact OG-N 2.99Å; S180-G182 VanDerWaalsContact OG-N 3.14Å; G182-Q184 PolarHBondContact O-N 2.98Å
183Y71.4Confident72.8Confident24 Ų2477.4 Ų77.49%0.09438%0.38CS..  trans-61.9118.4177.5178.8-114000111.3V179 S180 G185 L187 T215 K216 C218V179-Y183 HydrophobicContact CG1-CG 4.4Å; S180-Y183 WeakPolarHBondContact O-CB 3.26Å; S180-Y183 PolarHBondContact O-N 2.85Å; S180-Y183 VanDerWaalsContact O-N 3.11Å; Y183-G185 VanDerWaalsContact C-N 3.31Å; Y183-G185 VanDerWaalsContact CD1-O 3.29Å; Y183-G185 WeakPolarHBondContact CD1-O 3.46Å; Y183-G185 WeakPolarHBondContact CE1-O 3.5Å; Y183-G185 PolarHBondContact O-N 2.9Å; Y183-L187 HydrophobicContact CE1-CG 4.21Å; Y183-T215 PolarHBondContact OH-N 3.33Å; Y183-K216 HydrophobicContact CE2-CB 4.31Å; Y183-K216 WeakPolarHBondContact CE2-O 3.46Å; Y183-K216 WeakPolarHBondContact OH-CA 3.23Å; Y183-K216 PolarHBondContact OH-N 3.1Å; Y183-K216 PolarHBondContact OH-O 3.14Å; Y183-C218 HydrophobicContact CD2-CB 3.73Å; Y183-C218 HydrophobicContact CE2-CB 3.72Å
184Q70Confident73.5Confident160 Ų16073 Ų7375%0.74835%0.353SS*.  trans-85.72.7-176.6-62.7-174.9-9.300114.4G182 K216G182-Q184 PolarHBondContact O-N 2.98Å; Q184-K216 HydrophobicContact CB-CD 4.23Å
185G75.3Confident73.7Confident7 Ų772.9 Ų72.97%0.07235%0.352CS..SBendtrans-96.2-177.2173.100000112.2Y183Y183-G185 VanDerWaalsContact C-N 3.31Å; Y183-G185 VanDerWaalsContact CD1-O 3.29Å; Y183-G185 WeakPolarHBondContact CD1-O 3.46Å; Y183-G185 WeakPolarHBondContact CE1-O 3.5Å; Y183-G185 PolarHBondContact O-N 2.9Å
186K81.3Confident73.4Confident91 Ų9170.5 Ų70.540%0.39635%0.349SS..  trans-108.5156.4171.3-61.6-179.4173.7-178.80110.1E193 T215K186-E193 WeakPolarHBondContact CD-OE2 3.48Å; K186-E193 IonicContact NZ-OE2 2.8Å; K186-E193 PolarHBondContact NZ-OE2 2.83Å; K186-T215 HydrophobicContact CB-CG2 4.18Å; K186-T215 PolarHBondContact N-OG1 2.86Å; K186-T215 VanDerWaalsContact O-CG2 3.25Å; K186-T215 WeakPolarHBondContact O-CG2 3.39Å; K186-T215 PolarHBondContact O-N 3.07Å; K186-T215 VanDerWaalsContact O-N 3.11Å; K186-T215 PolarHBondContact O-OG1 3.11Å
187L82.9Confident73.2Confident2 Ų267 Ų671%0.0133%0.333CS..EExtended strand (participates in β ladder)trans-110.9122.9170.8-68.5154.5000107.8V179 Y183 F194 A197 L200 V212 V213 A214 L237V179-L187 HydrophobicContact CG1-CD1 3.92Å; Y183-L187 HydrophobicContact CE1-CG 4.21Å; L187-F194 HydrophobicContact CB-CB 4.23Å; L187-F194 PolarHBondContact N-O 2.81Å; L187-F194 WeakPolarHBondContact O-CA 3.3Å; L187-F194 WeakPolarHBondContact O-CB 3.43Å; L187-F194 VanDerWaalsContact O-CD2 3.31Å; L187-F194 WeakPolarHBondContact O-CD2 3.43Å; L187-F194 PolarHBondContact O-N 2.9Å; L187-A197 HydrophobicContact CD1-CB 4.22Å; L187-L200 HydrophobicContact CB-CD1 4.15Å; L187-L200 HydrophobicContact CB-CD2 4.17Å; L187-L200 HydrophobicContact CB-CG 4.45Å; L187-L200 HydrophobicContact CD1-CD1 3.25Å; L187-L200 HydrophobicContact CD1-CG 4.14Å; L187-L200 HydrophobicContact CG-CD1 4.19Å; L187-V212 HydrophobicContact CB-CB 4.08Å; L187-V212 HydrophobicContact CB-CG2 4.03Å; L187-V212 HydrophobicContact CD2-CG2 3.86Å; L187-V212 HydrophobicContact CG-CG2 4.44Å; L187-V213 WeakPolarHBondContact CA-O 3.35Å; L187-A214 HydrophobicContact CD2-CB 4.41Å; L187-L237 HydrophobicContact CD2-CD1 4Å
188R82.9Confident72.9Confident99 Ų9974.2 Ų74.237%0.37436%0.362SS..EExtended strand (participates in β ladder)trans-114132.5-169.7-65.4179.981.5-175.113.4112.3E193 V212 V213 T215R188-E193 HydrophobicContact CG-CG 4.17Å; R188-E193 IonicContact CZ-OE1 2.86Å; R188-E193 IonicContact NE-OE1 2.85Å; R188-E193 PolarHBondContact NE-OE1 3.39Å; R188-E193 IonicContact NH2-OE1 3.35Å; R188-E193 PolarHBondContact NH2-OE1 2.82Å; R188-V212 CarbonylContact O-C 3.55Å; R188-V212 VanDerWaalsContact O-CA 3.3Å; R188-V212 WeakPolarHBondContact O-CA 3.29Å; R188-V213 PolarHBondContact N-O 3.37Å; R188-V213 PolarHBondContact O-N 3.07Å; R188-T215 HydrophobicContact CB-CG2 4.37Å; R188-T215 HydrophobicContact CG-CG2 3.51Å
189R83.4Confident73.1Confident130 Ų13075.2 Ų75.249%0.49137%0.368SS..EExtended strand (participates in β ladder)trans-131.994.9164.5-179.3-176.3166.5179.90.5108R192 F194 R211 V212R189-R192 CarbonylContact C-O 3.51Å; R189-R192 VanDerWaalsContact C-O 3.25Å; R189-R192 PolarHBondContact N-O 3.48Å; R189-R192 CarbonylContact O-C 3.47Å; R189-R192 WeakPolarHBondContact O-CA 3.33Å; R189-R192 PolarHBondContact O-N 2.99Å; R189-F194 HydrophobicContact CB-CE2 3.89Å; R189-R211 WeakPolarHBondContact CB-O 3.45Å; R189-R211 WeakPolarHBondContact CD-O 3.08Å; R189-R211 WeakPolarHBondContact CG-O 3.27Å; R189-V212 HydrophobicContact CB-CG1 4.25Å
190R71.6Confident73.5Confident219 Ų21975.2 Ų75.283%0.82637%0.367SS*.THydrogen-bonded Turntrans-48130.9-175.5-69-171.5178.5-136.12.4111.4
191P77.3Confident73.5Confident132 Ų13276.4 Ų76.486%0.85737%0.372SS*.THydrogen-bonded Turncis-87-04.435.4-36.3000115.4
192R85.4Confident73.8Confident171 Ų17178.4 Ų78.465%0.64539%0.392SS*.EExtended strand (participates in β ladder)trans-86.8142.2-174.7-61.5-176-178.8-175.1-0.8112.7R189 F194R189-R192 CarbonylContact C-O 3.51Å; R189-R192 VanDerWaalsContact C-O 3.25Å; R189-R192 PolarHBondContact N-O 3.48Å; R189-R192 CarbonylContact O-C 3.47Å; R189-R192 WeakPolarHBondContact O-CA 3.33Å; R189-R192 PolarHBondContact O-N 2.99Å; R192-F194 HydrophobicContact CB-CE2 4.36Å; R192-F194 HydrophobicContact CB-CZ 4.19Å
193E82.9Confident74.4Confident76 Ų7677.6 Ų77.636%0.35538%0.381SS..EExtended strand (participates in β ladder)trans-113.5140.9168.1-54.1-164.2158.500108.7K186 R188 P195K186-E193 WeakPolarHBondContact CD-OE2 3.48Å; K186-E193 IonicContact NZ-OE2 2.8Å; K186-E193 PolarHBondContact NZ-OE2 2.83Å; R188-E193 HydrophobicContact CG-CG 4.17Å; R188-E193 IonicContact CZ-OE1 2.86Å; R188-E193 IonicContact NE-OE1 2.85Å; R188-E193 PolarHBondContact NE-OE1 3.39Å; R188-E193 IonicContact NH2-OE1 3.35Å; R188-E193 PolarHBondContact NH2-OE1 2.82Å; E193-P195 WeakPolarHBondContact O-CD 3.35Å
194F81.3Confident74.5Confident15 Ų1578.4 Ų78.47%0.06639%0.385CS..EExtended strand (participates in β ladder)trans-114.296.3176.1-57-77.8000106.8L187 R189 R192 T196 D199 L200 A203 L210 V212L187-F194 HydrophobicContact CB-CB 4.23Å; L187-F194 PolarHBondContact N-O 2.81Å; L187-F194 WeakPolarHBondContact O-CA 3.3Å; L187-F194 WeakPolarHBondContact O-CB 3.43Å; L187-F194 VanDerWaalsContact O-CD2 3.31Å; L187-F194 WeakPolarHBondContact O-CD2 3.43Å; L187-F194 PolarHBondContact O-N 2.9Å; R189-F194 HydrophobicContact CB-CE2 3.89Å; R192-F194 HydrophobicContact CB-CE2 4.36Å; R192-F194 HydrophobicContact CB-CZ 4.19Å; F194-T196 PolarHBondContact O-N 2.86Å; F194-D199 HydrophobicContact CB-CB 4.01Å; F194-D199 HydrophobicContact CD1-CB 3.78Å; F194-D199 WeakPolarHBondContact CD1-O 3.44Å; F194-D199 HydrophobicContact CG-CB 4.4Å; F194-L200 HydrophobicContact CB-CD2 3.66Å; F194-L200 HydrophobicContact CB-CG 4.09Å; F194-L200 HydrophobicContact CD1-CD2 4.03Å; F194-L200 HydrophobicContact CD2-CD2 3.44Å; F194-L200 VanDerWaalsContact CD2-CD2 3.44Å; F194-L200 HydrophobicContact CE2-CD2 4.04Å; F194-L200 HydrophobicContact CG-CD2 3.43Å; F194-L200 VanDerWaalsContact CG-CD2 3.43Å; F194-L200 HydrophobicContact CG-CG 4.29Å; F194-A203 HydrophobicContact CD1-CB 4.4Å; F194-A203 HydrophobicContact CE1-CB 3.48Å; F194-A203 VanDerWaalsContact CE1-CB 3.48Å; F194-A203 HydrophobicContact CZ-CB 3.94Å; F194-L210 HydrophobicContact CE2-CD1 4.35Å; F194-L210 HydrophobicContact CZ-CD1 4.21Å; F194-V212 HydrophobicContact CD2-CG1 3.87Å; F194-V212 HydrophobicContact CE2-CG1 3.91Å
195P69.8Low74.6Confident72 Ų7275.6 Ų75.647%0.46837%0.372SS..SBendtrans-58.9-33.4179.8-24.232.3000113E193 D199E193-P195 WeakPolarHBondContact O-CD 3.35Å; P195-D199 VanDerWaalsContact CD-OD2 3.26Å; P195-D199 WeakPolarHBondContact CD-OD2 3.49Å
196T63.2Low74.1Confident59 Ų5980.4 Ų80.436%0.36240%0.402SS..SBendtrans-125.4158.3178.371.80000109.7F194 Y198 D199F194-T196 PolarHBondContact O-N 2.86Å; T196-Y198 PolarHBondContact O-N 2.77Å; T196-Y198 WeakPolarHBondContact OG1-CB 3.36Å; T196-Y198 PolarHBondContact OG1-N 2.99Å; T196-D199 WeakPolarHBondContact CB-OD2 3.32Å; T196-D199 PolarHBondContact N-OD2 3.25Å; T196-D199 WeakPolarHBondContact O-CB 3.39Å; T196-D199 PolarHBondContact O-N 3.12Å; T196-D199 PolarHBondContact OG1-N 3.28Å; T196-D199 PolarHBondContact OG1-OD2 2.93Å
197A63.7Low73.5Confident3 Ų380.1 Ų80.13%0.02542%0.424CS..Hα-helixtrans-70.9-6.3169.300000113.1W162 V164 V179 L187 L200 L201W162-A197 HydrophobicContact CH2-CB 3.31Å; W162-A197 HydrophobicContact CZ3-CB 3.28Å; W162-A197 WeakPolarHBondContact CZ3-O 3.36Å; V164-A197 HydrophobicContact CG2-CB 4.15Å; V179-A197 HydrophobicContact CB-CB 4.48Å; V179-A197 HydrophobicContact CG1-CB 3.92Å; L187-A197 HydrophobicContact CD1-CB 4.22Å; A197-L200 HydrophobicContact CB-CD1 4.04Å; A197-L200 VanDerWaalsContact O-CB 3.3Å; A197-L200 WeakPolarHBondContact O-CB 3.39Å; A197-L200 PolarHBondContact O-N 2.95Å; A197-L201 PolarHBondContact O-N 2.83Å; A197-L201 VanDerWaalsContact O-N 3.16Å
198Y61.7Low73.1Confident153 Ų15388.1 Ų88.160%0.646%0.455SS*.Hα-helixtrans-73.1-38.9171.4177.1-93.3000109.2T196 L200 L201 G202T196-Y198 PolarHBondContact O-N 2.77Å; T196-Y198 WeakPolarHBondContact OG1-CB 3.36Å; T196-Y198 PolarHBondContact OG1-N 2.99Å; Y198-L200 PolarHBondContact O-N 3.37Å; Y198-L201 WeakPolarHBondContact O-CB 3.39Å; Y198-L201 PolarHBondContact O-N 2.8Å; Y198-G202 PolarHBondContact O-N 3.4Å
199D72.1Confident72.9Confident60 Ų6086.8 Ų86.832%0.32146%0.459SS..Hα-helixtrans-61.4-27.8171.8-51.4-55.7000111.4F194 P195 T196 A203F194-D199 HydrophobicContact CB-CB 4.01Å; F194-D199 HydrophobicContact CD1-CB 3.78Å; F194-D199 WeakPolarHBondContact CD1-O 3.44Å; F194-D199 HydrophobicContact CG-CB 4.4Å; P195-D199 VanDerWaalsContact CD-OD2 3.26Å; P195-D199 WeakPolarHBondContact CD-OD2 3.49Å; T196-D199 WeakPolarHBondContact CB-OD2 3.32Å; T196-D199 PolarHBondContact N-OD2 3.25Å; T196-D199 WeakPolarHBondContact O-CB 3.39Å; T196-D199 PolarHBondContact O-N 3.12Å; T196-D199 PolarHBondContact OG1-N 3.28Å; T196-D199 PolarHBondContact OG1-OD2 2.93Å; D199-A203 VanDerWaalsContact O-CB 3.29Å; D199-A203 WeakPolarHBondContact O-CB 3.34Å; D199-A203 PolarHBondContact O-N 2.86Å
200L74Confident72.8Confident2 Ų280.8 Ų80.81%0.0144%0.436CS..Hα-helixtrans-70.6-44171.1-63.3-179.3000112.5L187 F194 A197 Y198 A203 F204 L210 V212 V239L187-L200 HydrophobicContact CB-CD1 4.15Å; L187-L200 HydrophobicContact CB-CD2 4.17Å; L187-L200 HydrophobicContact CB-CG 4.45Å; L187-L200 HydrophobicContact CD1-CD1 3.25Å; L187-L200 HydrophobicContact CD1-CG 4.14Å; L187-L200 HydrophobicContact CG-CD1 4.19Å; F194-L200 HydrophobicContact CB-CD2 3.66Å; F194-L200 HydrophobicContact CB-CG 4.09Å; F194-L200 HydrophobicContact CD1-CD2 4.03Å; F194-L200 HydrophobicContact CD2-CD2 3.44Å; F194-L200 VanDerWaalsContact CD2-CD2 3.44Å; F194-L200 HydrophobicContact CE2-CD2 4.04Å; F194-L200 HydrophobicContact CG-CD2 3.43Å; F194-L200 VanDerWaalsContact CG-CD2 3.43Å; F194-L200 HydrophobicContact CG-CG 4.29Å; A197-L200 HydrophobicContact CB-CD1 4.04Å; A197-L200 VanDerWaalsContact O-CB 3.3Å; A197-L200 WeakPolarHBondContact O-CB 3.39Å; A197-L200 PolarHBondContact O-N 2.95Å; Y198-L200 PolarHBondContact O-N 3.37Å; L200-A203 CarbonylContact O-C 3.5Å; L200-A203 PolarHBondContact O-N 2.79Å; L200-F204 WeakPolarHBondContact O-CB 3.45Å; L200-F204 PolarHBondContact O-N 2.74Å; L200-L210 HydrophobicContact CB-CD2 4.26Å; L200-L210 HydrophobicContact CD2-CD2 3.99Å; L200-L210 WeakPolarHBondContact O-CD2 3.36Å; L200-V212 HydrophobicContact CD1-CG2 4.4Å; L200-V212 HydrophobicContact CD2-CB 4.45Å; L200-V212 HydrophobicContact CD2-CG1 3.55Å; L200-V212 HydrophobicContact CD2-CG2 4.35Å; L200-V239 HydrophobicContact CD1-CG2 4.13Å
201L68.2Low73.6Confident50 Ų5075.7 Ų75.726%0.26242%0.417SS..Hα-helixtrans-61.2-45.3176.7-72.4173.8000111W162 V164 A197 Y198 A203 F204 P242W162-L201 HydrophobicContact CD2-CD1 4.47Å; W162-L201 HydrophobicContact CE3-CD1 3.85Å; W162-L201 HydrophobicContact CZ3-CD1 4.3Å; V164-L201 HydrophobicContact CG2-CD1 4.23Å; V164-L201 HydrophobicContact CG2-CD2 4.01Å; V164-L201 HydrophobicContact CG2-CG 3.93Å; A197-L201 PolarHBondContact O-N 2.83Å; A197-L201 VanDerWaalsContact O-N 3.16Å; Y198-L201 WeakPolarHBondContact O-CB 3.39Å; Y198-L201 PolarHBondContact O-N 2.8Å; L201-A203 PolarHBondContact O-N 2.86Å; L201-F204 WeakPolarHBondContact O-CB 3.4Å; L201-F204 PolarHBondContact O-N 2.82Å; L201-F204 VanDerWaalsContact O-N 3.15Å; L201-P242 HydrophobicContact CD2-CB 3.93Å; L201-P242 HydrophobicContact CD2-CG 4.4Å
202G68Low74Confident71 Ų7169.6 Ų69.673%0.73238%0.377SS*.Hα-helixtrans-63.3-27.3176.100000113.7Y198Y198-G202 PolarHBondContact O-N 3.4Å
203A75.3Confident74Confident34 Ų3464 Ų6428%0.28136%0.362SS..Hα-helixtrans-91.4-11.7176.400000114.1F194 D199 L200 L201 L210F194-A203 HydrophobicContact CD1-CB 4.4Å; F194-A203 HydrophobicContact CE1-CB 3.48Å; F194-A203 VanDerWaalsContact CE1-CB 3.48Å; F194-A203 HydrophobicContact CZ-CB 3.94Å; D199-A203 VanDerWaalsContact O-CB 3.29Å; D199-A203 WeakPolarHBondContact O-CB 3.34Å; D199-A203 PolarHBondContact O-N 2.86Å; L200-A203 CarbonylContact O-C 3.5Å; L200-A203 PolarHBondContact O-N 2.79Å; L201-A203 PolarHBondContact O-N 2.86Å; A203-L210 HydrophobicContact CB-CD2 3.97Å
204F74.9Confident74.2Confident41 Ų4160.5 Ų60.518%0.1835%0.346CS..  trans-74.9130.6-179.2180-104.5000110.1L200 L201 L210 V239L200-F204 WeakPolarHBondContact O-CB 3.45Å; L200-F204 PolarHBondContact O-N 2.74Å; L201-F204 WeakPolarHBondContact O-CB 3.4Å; L201-F204 PolarHBondContact O-N 2.82Å; L201-F204 VanDerWaalsContact O-N 3.15Å; F204-L210 HydrophobicContact CB-CD2 4.49Å; F204-L210 HydrophobicContact CD2-CB 4.38Å; F204-V239 HydrophobicContact CD2-CB 4.22Å; F204-V239 HydrophobicContact CD2-CG1 3.8Å; F204-V239 HydrophobicContact CE2-CG1 4.27Å; F204-V239 WeakPolarHBondContact CE2-O 3.35Å; F204-V239 HydrophobicContact CG-CG1 4.37Å
205Q70.4Confident74.3Confident101 Ų10162.2 Ų62.247%0.47236%0.358SS..BIsolated β-bridgetrans-125.6127.1176-70-169.8-28.300108.9G207 R208Q205-G207 PolarHBondContact O-N 3.49Å; Q205-R208 HydrophobicContact CB-CB 4.19Å; Q205-R208 PolarHBondContact O-N 3Å; Q205-R208 VanDerWaalsContact OE1-NH1 3.17Å
206P65.4Low74.8Confident108 Ų10863 Ų6370%0.70135%0.354SS*.THydrogen-bonded Turntrans-51.8131.3174.5-26.334.2000111.2R208P206-R208 VanDerWaalsContact C-N 3.29Å; P206-R208 PolarHBondContact O-N 2.8Å
207G68.2Low75.6Confident85 Ų8565.2 Ų65.288%0.87636%0.364SS*.THydrogen-bonded Turntrans80.2-3.5-178.100000115.7Q205Q205-G207 PolarHBondContact O-N 3.49Å
208R75.9Confident76Confident170 Ų17067.1 Ų67.164%0.64238%0.376SS*.BIsolated β-bridgetrans-118.3111.8172.6-69.9-176.8175.3-177.2-4.9110.6Q205 P206 L210Q205-R208 HydrophobicContact CB-CB 4.19Å; Q205-R208 PolarHBondContact O-N 3Å; Q205-R208 VanDerWaalsContact OE1-NH1 3.17Å; P206-R208 VanDerWaalsContact C-N 3.29Å; P206-R208 PolarHBondContact O-N 2.8Å; R208-L210 PolarHBondContact O-N 2.81Å
209P78.3Confident76.2Confident71 Ų7167.9 Ų67.946%0.46139%0.385SS..  trans-65.1123.6-178.723.9-31.5000111.2E238P209-E238 HydrophobicContact CB-CG 4.32Å; P209-E238 WeakPolarHBondContact CB-OE1 3.25Å
210L82.2Confident75.6Confident4 Ų467.1 Ų67.12%0.02139%0.391CS..EExtended strand (participates in β ladder)trans-94113.6171.1178.860.9000108.9F194 L200 A203 F204 R208 V212 V239F194-L210 HydrophobicContact CE2-CD1 4.35Å; F194-L210 HydrophobicContact CZ-CD1 4.21Å; L200-L210 HydrophobicContact CB-CD2 4.26Å; L200-L210 HydrophobicContact CD2-CD2 3.99Å; L200-L210 WeakPolarHBondContact O-CD2 3.36Å; A203-L210 HydrophobicContact CB-CD2 3.97Å; F204-L210 HydrophobicContact CB-CD2 4.49Å; F204-L210 HydrophobicContact CD2-CB 4.38Å; R208-L210 PolarHBondContact O-N 2.81Å; L210-V212 HydrophobicContact CD1-CG1 4.47Å; L210-V212 HydrophobicContact CG-CG1 4.37Å; L210-V239 HydrophobicContact CB-CB 4.17Å; L210-V239 HydrophobicContact CB-CG2 4.28Å; L210-V239 HydrophobicContact CD2-CG2 4.12Å; L210-V239 HydrophobicContact CG-CG2 4.12Å; L210-V239 PolarHBondContact O-N 3.47Å
211R86.4Confident74.7Confident112 Ų11273 Ų7342%0.42342%0.418SS..EExtended strand (participates in β ladder)trans-110131-179.9-63.2-177.9-176.4157.613.3111.2K169 R189 L237 E238K169-R211 VanDerWaalsContact NZ-CZ 3.26Å; R189-R211 WeakPolarHBondContact CB-O 3.45Å; R189-R211 WeakPolarHBondContact CD-O 3.08Å; R189-R211 WeakPolarHBondContact CG-O 3.27Å; R211-L237 CarbonylContact C-O 3.53Å; R211-L237 VanDerWaalsContact CA-O 3.27Å; R211-L237 WeakPolarHBondContact CA-O 3.25Å; R211-E238 HydrophobicContact CG-CB 4.44Å; R211-E238 HydrophobicContact CG-CG 4.32Å; R211-E238 IonicContact CZ-OE1 2.83Å; R211-E238 IonicContact NE-OE1 3.14Å; R211-E238 PolarHBondContact NE-OE1 3.37Å; R211-E238 IonicContact NE-OE2 3.44Å; R211-E238 IonicContact NH2-OE1 2.98Å; R211-E238 PolarHBondContact NH2-OE1 3.01Å
212V86.1Confident73.7Confident4 Ų482.7 Ų82.72%0.02445%0.451CS..EExtended strand (participates in β ladder)trans-137162.8-177.1-62.70000111.4L187 R188 R189 F194 L200 L210 L237 V239L187-V212 HydrophobicContact CB-CB 4.08Å; L187-V212 HydrophobicContact CB-CG2 4.03Å; L187-V212 HydrophobicContact CD2-CG2 3.86Å; L187-V212 HydrophobicContact CG-CG2 4.44Å; R188-V212 CarbonylContact O-C 3.55Å; R188-V212 VanDerWaalsContact O-CA 3.3Å; R188-V212 WeakPolarHBondContact O-CA 3.29Å; R189-V212 HydrophobicContact CB-CG1 4.25Å; F194-V212 HydrophobicContact CD2-CG1 3.87Å; F194-V212 HydrophobicContact CE2-CG1 3.91Å; L200-V212 HydrophobicContact CD1-CG2 4.4Å; L200-V212 HydrophobicContact CD2-CB 4.45Å; L200-V212 HydrophobicContact CD2-CG1 3.55Å; L200-V212 HydrophobicContact CD2-CG2 4.35Å; L210-V212 HydrophobicContact CD1-CG1 4.47Å; L210-V212 HydrophobicContact CG-CG1 4.37Å; V212-L237 HydrophobicContact CG2-CB 3.99Å; V212-L237 PolarHBondContact N-O 2.73Å; V212-L237 PolarHBondContact O-N 3.29Å; V212-V239 HydrophobicContact CG2-CG2 4.49Å
213V86.8Confident72.9Confident54 Ų5488.2 Ų88.233%0.32746%0.458SS..EExtended strand (participates in β ladder)trans-118.3130.2176.5-175.90000109.1L187 R188 D235 R236L187-V213 WeakPolarHBondContact CA-O 3.35Å; R188-V213 PolarHBondContact N-O 3.37Å; R188-V213 PolarHBondContact O-N 3.07Å; V213-D235 WeakPolarHBondContact CA-O 3.25Å; V213-R236 HydrophobicContact CG2-CG 4.27Å
214A85.3Confident71.6Confident1 Ų192.1 Ų92.11%0.00847%0.471CS..EExtended strand (participates in β ladder)trans-69.4135.4174.100000110.7L187 G234 D235L187-A214 HydrophobicContact CD2-CB 4.41Å; A214-G234 PolarHBondContact O-N 3.23Å; A214-D235 PolarHBondContact N-O 3.35Å; A214-D235 VanDerWaalsContact N-O 3.07Å
215T83.5Confident70.3Confident52 Ų5294.1 Ų94.132%0.31948%0.483SS..  trans-108.4-5-17971.80000114.1Y183 K186 R188Y183-T215 PolarHBondContact OH-N 3.33Å; K186-T215 HydrophobicContact CB-CG2 4.18Å; K186-T215 PolarHBondContact N-OG1 2.86Å; K186-T215 VanDerWaalsContact O-CG2 3.25Å; K186-T215 WeakPolarHBondContact O-CG2 3.39Å; K186-T215 PolarHBondContact O-N 3.07Å; K186-T215 VanDerWaalsContact O-N 3.11Å; K186-T215 PolarHBondContact O-OG1 3.11Å; R188-T215 HydrophobicContact CB-CG2 4.37Å; R188-T215 HydrophobicContact CG-CG2 3.51Å
216K81.2Confident69.3Low89 Ų8995.7 Ų95.739%0.38750%0.502SS..SBendtrans-140.3145.1177.3-162.2179.7-179.3-179.50109.2Y183 Q184Y183-K216 HydrophobicContact CE2-CB 4.31Å; Y183-K216 WeakPolarHBondContact CE2-O 3.46Å; Y183-K216 WeakPolarHBondContact OH-CA 3.23Å; Y183-K216 PolarHBondContact OH-N 3.1Å; Y183-K216 PolarHBondContact OH-O 3.14Å; Q184-K216 HydrophobicContact CB-CD 4.23Å
217D79.9Confident68.6Low105 Ų10597.9 Ų97.956%0.56150%0.503SS*.  trans-65.7146.3170.7-59.1-38.4000109.9L231 A232 V233D217-L231 CarbonylContact C-O 3.54Å; D217-L231 VanDerWaalsContact CA-O 3.25Å; D217-L231 WeakPolarHBondContact CA-O 3.32Å; D217-A232 WeakPolarHBondContact OD1-CA 3.43Å; D217-V233 WeakPolarHBondContact OD1-CG2 3.41Å; D217-V233 PolarHBondContact OD1-N 3.29Å
218C71.3Confident68.1Low42 Ų4297 Ų9728%0.28448%0.475SS..BIsolated β-bridgetrans-141.1124.5172.2-173.60000108.8Y183 S230 L231Y183-C218 HydrophobicContact CD2-CB 3.73Å; Y183-C218 HydrophobicContact CE2-CB 3.72Å; C218-S230 CarbonylContact O-C 3.52Å; C218-S230 VanDerWaalsContact O-CA 3.23Å; C218-S230 WeakPolarHBondContact O-CA 3.27Å; C218-S230 VanDerWaalsContact O-CB 3.31Å; C218-S230 WeakPolarHBondContact O-CB 3.23Å; C218-L231 HydrophobicContact CB-CB 4.13Å; C218-L231 HydrophobicContact CB-CD1 4.38Å; C218-L231 PolarHBondContact N-O 3.18Å; C218-L231 PolarHBondContact O-N 3.44Å
219E66.5Low67.3Low170 Ų17091.4 Ų91.479%0.79446%0.46SS*.PPolyproline II helixtrans-82.6142.8169.6-61.8-171.617200108.9
220G59.7Low66.9Low43 Ų4391.5 Ų91.544%0.44346%0.462SS..PPolyproline II helixtrans-68.1141.1172.400000109.7R222G220-R222 PolarHBondContact O-N 3.39Å
221E55Low66.6Low126 Ų12691.7 Ų91.759%0.58946%0.464SS*.PPolyproline II helixtrans-60.2120.8173.3-75.9176.2169.500108.9R163 E223R163-E221 IonicContact NH2-OE2 3.47Å; E221-E223 PolarHBondContact O-N 3.11Å
222R47.2Very low66.3Low253 Ų25388.3 Ų88.396%0.95546%0.46SS*.THydrogen-bonded Turntrans-59.2-18.1-169.9-103.2-179.2178.3-1680.2115G220G220-R222 PolarHBondContact O-N 3.39Å
223E51Low66.1Low188 Ų18892.2 Ų92.288%0.87948%0.483SS*.THydrogen-bonded Turntrans-95.8-18.5-165.9-77178.2157.300114.6E221E221-E223 PolarHBondContact O-N 3.11Å
224E48.1Very low65.9Low116 Ų11691.7 Ų91.754%0.54249%0.488SS..SBendtrans-12592-178.6-74.2-178.8170.800111.7R163R163-E224 IonicContact CZ-OE2 3.95Å; R163-E224 IonicContact NH1-OE2 2.66Å; R163-E224 PolarHBondContact NH1-OE2 3.44Å; R163-E224 IonicContact NH2-OE2 3.56Å; R163-E224 PolarHBondContact NH2-OE2 2.91Å
225N47.2Very low65.7Low83 Ų8392.6 Ų92.644%0.44449%0.493SS..  trans80.4106.2162.2-145.2-10.2000116.1E227 F228N225-E227 PolarHBondContact O-N 3.04Å; N225-F228 HydrophobicContact CB-CD2 3.95Å; N225-F228 HydrophobicContact CB-CE2 3.98Å; N225-F228 PolarHBondContact O-N 2.88Å
226P50.1Low65.7Low133 Ų13398.7 Ų98.786%0.86451%0.51SS*.THydrogen-bonded Turntrans-68-4-175.327.3-34.2000114.9F228P226-F228 VanDerWaalsContact C-N 3.35Å
227E51.8Low65.7Low155 Ų15594.6 Ų94.672%0.72449%0.492SS*.THydrogen-bonded Turntrans-78.5-14.8178.3-63.2-167.7165.400113.8N225N225-E227 PolarHBondContact O-N 3.04Å
228F56Low65.8Low65 Ų6591.5 Ų91.529%0.28548%0.475SS..SBendtrans-97.2104.3179.5-59-66.4000111.5L165 L178 N225 P226L165-F228 HydrophobicContact CD1-CE1 4.23Å; L178-F228 HydrophobicContact CB-CD1 4.25Å; L178-F228 HydrophobicContact CB-CG 4.34Å; N225-F228 HydrophobicContact CB-CD2 3.95Å; N225-F228 HydrophobicContact CB-CE2 3.98Å; N225-F228 PolarHBondContact O-N 2.88Å; P226-F228 VanDerWaalsContact C-N 3.35Å
229T60.3Low66.1Low53 Ų5389.8 Ų89.833%0.32546%0.463SS..PPolyproline II helixtrans-73.4160-176.334.20000114.5F177F177-T229 VanDerWaalsContact CD1-O 3.23Å; F177-T229 WeakPolarHBondContact CD1-O 3.46Å; F177-T229 VanDerWaalsContact CE1-OG1 3.25Å; F177-T229 WeakPolarHBondContact CE1-OG1 3.46Å
230S69.9Low66.1Low73 Ų7385.8 Ų85.851%0.5145%0.446SS..PPolyproline II helixtrans-64.6142.5170.352.80000112.8F177 C218F177-S230 VanDerWaalsContact CE1-O 3.27Å; F177-S230 WeakPolarHBondContact CE1-O 3.21Å; C218-S230 CarbonylContact O-C 3.52Å; C218-S230 VanDerWaalsContact O-CA 3.23Å; C218-S230 WeakPolarHBondContact O-CA 3.27Å; C218-S230 VanDerWaalsContact O-CB 3.31Å; C218-S230 WeakPolarHBondContact O-CB 3.23Å
231L75.4Confident66.3Low9 Ų984.1 Ų84.15%0.04743%0.429CS..BIsolated β-bridgetrans-88.7132.3174.2-72.8164.6000110.3F177 V179 D217 C218 L237F177-L231 HydrophobicContact CB-CD2 3.74Å; F177-L231 HydrophobicContact CB-CG 4.18Å; F177-L231 HydrophobicContact CD1-CD2 3.36Å; F177-L231 HydrophobicContact CD1-CG 3.72Å; F177-L231 HydrophobicContact CD2-CD2 3.98Å; F177-L231 HydrophobicContact CE1-CD2 3.91Å; F177-L231 HydrophobicContact CE1-CG 4.41Å; F177-L231 HydrophobicContact CE2-CD2 4.45Å; F177-L231 HydrophobicContact CG-CD2 3.4Å; F177-L231 VanDerWaalsContact CG-CD2 3.4Å; F177-L231 HydrophobicContact CG-CG 4.09Å; F177-L231 HydrophobicContact CZ-CD2 4.41Å; V179-L231 HydrophobicContact CG2-CD1 3.95Å; D217-L231 CarbonylContact C-O 3.54Å; D217-L231 VanDerWaalsContact CA-O 3.25Å; D217-L231 WeakPolarHBondContact CA-O 3.32Å; C218-L231 HydrophobicContact CB-CB 4.13Å; C218-L231 HydrophobicContact CB-CD1 4.38Å; C218-L231 PolarHBondContact N-O 3.18Å; C218-L231 PolarHBondContact O-N 3.44Å; L231-L237 HydrophobicContact CD2-CD1 3.71Å; L231-L237 HydrophobicContact CD2-CD2 3.82Å; L231-L237 HydrophobicContact CD2-CG 4.32Å
232A79.6Confident66.4Low41 Ų4181 Ų8134%0.33942%0.42SS..  trans-104.4151.7172.700000112.2D217 G234 D235D217-A232 WeakPolarHBondContact OD1-CA 3.43Å; A232-G234 PolarHBondContact O-N 3.43Å; A232-D235 PolarHBondContact N-OD2 2.85Å; A232-D235 WeakPolarHBondContact O-CB 3.48Å; A232-D235 PolarHBondContact O-N 3.21Å
233V83.2Confident66.5Low86 Ų8670.4 Ų70.452%0.52139%0.39SS..THydrogen-bonded Turntrans-54.3129.4169.5177.10000109.5D217 D235D217-V233 WeakPolarHBondContact OD1-CG2 3.41Å; D217-V233 PolarHBondContact OD1-N 3.29Å; V233-D235 VanDerWaalsContact C-N 3.35Å
234G80.9Confident66.1Low42 Ų4267 Ų6743%0.43337%0.374SS..THydrogen-bonded Turntrans90.2-6.6179.800000114.5A214 A232 R236A214-G234 PolarHBondContact O-N 3.23Å; A232-G234 PolarHBondContact O-N 3.43Å; G234-R236 PolarHBondContact O-N 2.93Å
235D81.5Confident65.7Low21 Ų2163.6 Ų63.611%0.11237%0.365CS..  trans-59.7130.4172.5-84.3-28.6000110.4R171 V213 A214 A232 V233 L237R171-D235 IonicContact NH2-OD1 3.72Å; R171-D235 PolarHBondContact NH2-OD1 3.25Å; V213-D235 WeakPolarHBondContact CA-O 3.25Å; A214-D235 PolarHBondContact N-O 3.35Å; A214-D235 VanDerWaalsContact N-O 3.07Å; A232-D235 PolarHBondContact N-OD2 2.85Å; A232-D235 WeakPolarHBondContact O-CB 3.48Å; A232-D235 PolarHBondContact O-N 3.21Å; V233-D235 VanDerWaalsContact C-N 3.35Å; D235-L237 HydrophobicContact CB-CD2 4.46Å
236R83.7Confident65.2Low180 Ų18070.6 Ų70.668%0.67940%0.395SS*.EExtended strand (participates in β ladder)trans-95.2111.5179.8-62.7-177.1-178-175.41.2109.2S168 K169 V213 G234S168-R236 WeakPolarHBondContact CA-O 3.23Å; K169-R236 PolarHBondContact N-O 3.07Å; V213-R236 HydrophobicContact CG2-CG 4.27Å; G234-R236 PolarHBondContact O-N 2.93Å
237L81.3Confident65.9Low2 Ų267.5 Ų67.51%0.0137%0.371CS..EExtended strand (participates in β ladder)trans-107.7137.4-172.6-61179.7000110.7A166 S167 F177 V179 L187 R211 V212 L231 D235A166-L237 HydrophobicContact CB-CB 4.02Å; A166-L237 HydrophobicContact CB-CD1 4.07Å; A166-L237 HydrophobicContact CB-CD2 4.19Å; A166-L237 HydrophobicContact CB-CG 4.31Å; S167-L237 CarbonylContact O-C 3.44Å; S167-L237 WeakPolarHBondContact O-CA 3.21Å; F177-L237 HydrophobicContact CD2-CD2 3.61Å; F177-L237 HydrophobicContact CE2-CD2 3.91Å; F177-L237 HydrophobicContact CG-CD2 4.33Å; V179-L237 HydrophobicContact CG2-CD1 4.4Å; L187-L237 HydrophobicContact CD2-CD1 4Å; R211-L237 CarbonylContact C-O 3.53Å; R211-L237 VanDerWaalsContact CA-O 3.27Å; R211-L237 WeakPolarHBondContact CA-O 3.25Å; V212-L237 HydrophobicContact CG2-CB 3.99Å; V212-L237 PolarHBondContact N-O 2.73Å; V212-L237 PolarHBondContact O-N 3.29Å; L231-L237 HydrophobicContact CD2-CD1 3.71Å; L231-L237 HydrophobicContact CD2-CD2 3.82Å; L231-L237 HydrophobicContact CD2-CG 4.32Å; D235-L237 HydrophobicContact CB-CD2 4.46Å
238E81.7Confident66.7Low41 Ų4162.9 Ų62.919%0.19235%0.353CS..EExtended strand (participates in β ladder)trans-106.3121.1167.2-171153.6-134.300108.4A166 S167 P209 R211 L240A166-E238 CarbonylContact C-O 3.57Å; A166-E238 WeakPolarHBondContact CA-O 3.31Å; S167-E238 PolarHBondContact N-O 2.95Å; S167-E238 PolarHBondContact O-N 2.61Å; P209-E238 HydrophobicContact CB-CG 4.32Å; P209-E238 WeakPolarHBondContact CB-OE1 3.25Å; R211-E238 HydrophobicContact CG-CB 4.44Å; R211-E238 HydrophobicContact CG-CG 4.32Å; R211-E238 IonicContact CZ-OE1 2.83Å; R211-E238 IonicContact NE-OE1 3.14Å; R211-E238 PolarHBondContact NE-OE1 3.37Å; R211-E238 IonicContact NE-OE2 3.44Å; R211-E238 IonicContact NH2-OE1 2.98Å; R211-E238 PolarHBondContact NH2-OE1 3.01Å; E238-L240 PolarHBondContact O-N 3.23Å
239V77.9Confident67.3Low5 Ų562.8 Ų62.83%0.0336%0.356CS..EExtended strand (participates in β ladder)trans-73.5118.6178.9179.90000108V164 L200 F204 L210 V212V164-V239 HydrophobicContact CG1-CG1 3.8Å; L200-V239 HydrophobicContact CD1-CG2 4.13Å; F204-V239 HydrophobicContact CD2-CB 4.22Å; F204-V239 HydrophobicContact CD2-CG1 3.8Å; F204-V239 HydrophobicContact CE2-CG1 4.27Å; F204-V239 WeakPolarHBondContact CE2-O 3.35Å; F204-V239 HydrophobicContact CG-CG1 4.37Å; L210-V239 HydrophobicContact CB-CB 4.17Å; L210-V239 HydrophobicContact CB-CG2 4.28Å; L210-V239 HydrophobicContact CD2-CG2 4.12Å; L210-V239 HydrophobicContact CG-CG2 4.12Å; L210-V239 PolarHBondContact O-N 3.47Å; V212-V239 HydrophobicContact CG2-CG2 4.49Å
240L67.6Low67.7Low86 Ų8663.4 Ų63.445%0.4536%0.358SS..EExtended strand (participates in β ladder)trans-89.8-28.8-178.6-63.7-178000112.2L165 E238L165-L240 HydrophobicContact CD2-CB 4.45Å; L165-L240 HydrophobicContact CD2-CD1 3.87Å; L165-L240 HydrophobicContact CG-CD1 4.18Å; L165-L240 PolarHBondContact O-N 3.02Å; E238-L240 PolarHBondContact O-N 3.23Å
241G63.4Low67.5Low8 Ų862.8 Ų62.88%0.08235%0.349CS..EExtended strand (participates in β ladder)trans149.517917700000112L165 G243L165-G241 PolarHBondContact N-O 3.19Å; G241-G243 PolarHBondContact O-N 2.86Å
242P56.6Low67Low62 Ų6266.3 Ų66.340%0.40337%0.369SS..EExtended strand (participates in β ladder)trans-64.9129.8165.228.5-31.4000108.9L139 L201L139-P242 HydrophobicContact CB-CG 4.32Å; L201-P242 HydrophobicContact CD2-CB 3.93Å; L201-P242 HydrophobicContact CD2-CG 4.4Å
243G49.1Very low66.1Low30 Ų3068.1 Ų68.131%0.30937%0.371SS..  trans-124.8140.8174.500000109.7G241G241-G243 PolarHBondContact O-N 2.86Å
244Q43.8Very low64.8Low117 Ų11766.8 Ų66.855%0.54736%0.359SS..  trans-79.7135.8163.6-77.9177.1-54.800108.2H246Q244-H246 PolarHBondContact O-N 2.78Å
245A38.8Very low63.4Low43 Ų4368.8 Ų68.836%0.35535%0.353SS..  trans-66.4123.5156.700000106.2L178L178-A245 HydrophobicContact CD2-CB 4.36Å
246H35.8Very low61.8Low231 Ų23173.2 Ų73.2100%1.06938%0.375SS*.  trans-75.10164.7-78.2-59000109.3Q244Q244-H246 PolarHBondContact O-N 2.78Å

Retrieved 246 of 246 residues in 61.2 ms (Link to these results)

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