A0A077YXD3_TRITR Loading...

Novel immunogenic protein NIP-2

AlphaFold DB , UniProt , Accession A0A077YXD3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 380 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
1M35.3Very low47.2Very low235 Ų235161.4 Ų161.4100%1.15877%0.771SS**  0100.80-79.9-179.7-179.200108.2V3M1-V3 PolarHBondContact O-N 3.3Å
2V38.4Very low49.4Very low141 Ų141150.8 Ų150.886%0.85574%0.737SS**  trans-71.6105.3171.1-179.20000106.4K4V2-K4 PolarHBondContact O-N 3.37Å
3V38.3Very low51.5Low119 Ų119157.6 Ų157.672%0.72175%0.75SS**  trans-6790.1174-175.30000105.9M1 Y5M1-V3 PolarHBondContact O-N 3.3Å; V3-Y5 PolarHBondContact O-N 2.93Å
4K47.8Very low53.5Low186 Ų186158.3 Ų158.381%0.80974%0.743SS**  trans-52.9110.5163.5-83.8-177.3175.9175.60105.3V2 R6V2-K4 PolarHBondContact O-N 3.37Å; K4-R6 PolarHBondContact O-N 3.24Å
5Y44Very low55.3Low229 Ų229152.1 Ų152.190%0.89872%0.717SS**  trans-45.2102.6175.1-69.5-89000108V3 A7V3-Y5 PolarHBondContact O-N 2.93Å; Y5-A7 PolarHBondContact O-N 3.47Å
6R43.2Very low56.9Low232 Ų232144.4 Ų144.488%0.87568%0.683SS**PPolyproline II helixtrans-69.7116.8167-87.7-173.5172.4-175.1-1104.2K4 I8K4-R6 PolarHBondContact O-N 3.24Å; R6-I8 PolarHBondContact O-N 2.86Å
7A50.1Low58.6Low66 Ų66146.6 Ų146.655%0.54568%0.684SS.*PPolyproline II helixtrans-46.7119.7170.300000107.6Y5 K9Y5-A7 PolarHBondContact O-N 3.47Å; A7-K9 PolarHBondContact O-N 2.85Å
8I50.8Low60.1Low138 Ų138147.1 Ų147.171%0.70868%0.678SS**PPolyproline II helixtrans-48.8132.6176.8-64.6168.7000106.2R6 Q10R6-I8 PolarHBondContact O-N 2.86Å; I8-Q10 HydrophobicContact CB-CG 4.21Å; I8-Q10 HydrophobicContact CG2-CG 3.7Å; I8-Q10 PolarHBondContact O-N 3.24Å
9K55.2Low61.4Low208 Ų208141.6 Ų141.690%0.90465%0.652SS**  trans-65.360.9177.1-73.3-178.8175.6176.20110.7A7 F11A7-K9 PolarHBondContact O-N 2.85Å; K9-F11 VanDerWaalsContact C-N 3.34Å
10Q56.4Low62.6Low151 Ų151140.2 Ų140.271%0.70664%0.644SS**  trans-77.1-25.3177.2-72.1-170.7-21.900111.4I8 G12 N15I8-Q10 HydrophobicContact CB-CG 4.21Å; I8-Q10 HydrophobicContact CG2-CG 3.7Å; I8-Q10 PolarHBondContact O-N 3.24Å; Q10-G12 PolarHBondContact O-N 3.19Å; Q10-N15 PolarHBondContact O-ND2 3.35Å
11F59.8Low63.9Low70 Ų70138.3 Ų138.331%0.30764%0.639SS.*SBendtrans-89.494173.6-115.3-97.9000111.4K9 N15 F19 W152K9-F11 VanDerWaalsContact C-N 3.34Å; F11-N15 HydrophobicContact CD1-CB 3.39Å; F11-N15 HydrophobicContact CD2-CB 4.46Å; F11-N15 HydrophobicContact CE1-CB 3.51Å; F11-N15 WeakPolarHBondContact CE1-O 2.98Å; F11-N15 HydrophobicContact CG-CB 3.92Å; F11-N15 HydrophobicContact CZ-CB 4.11Å; F11-F19 HydrophobicContact CE1-CB 4.13Å; F11-F19 HydrophobicContact CZ-CB 4.49Å; F11-W152 HydrophobicContact CB-CH2 3.05Å; F11-W152 HydrophobicContact CB-CZ2 3.81Å; F11-W152 HydrophobicContact CB-CZ3 3.64Å; F11-W152 AromaticContact CD1-CH2 3.35Å; F11-W152 HydrophobicContact CD1-CH2 3.35Å; F11-W152 AromaticContact CD1-CZ2 3.2Å; F11-W152 HydrophobicContact CD1-CZ2 3.2Å; F11-W152 AromaticContact CD2-CH2 3.86Å; F11-W152 HydrophobicContact CD2-CH2 3.86Å; F11-W152 HydrophobicContact CD2-CZ2 4.44Å; F11-W152 HydrophobicContact CE1-CH2 4.15Å; F11-W152 AromaticContact CE1-CZ2 3.77Å; F11-W152 HydrophobicContact CE1-CZ2 3.77Å; F11-W152 AromaticContact CG-CH2 3.15Å; F11-W152 HydrophobicContact CG-CH2 3.15Å; F11-W152 AromaticContact CG-CZ2 3.6Å; F11-W152 HydrophobicContact CG-CZ2 3.6Å; F11-W152 HydrophobicContact CG-CZ3 4.21Å
12G73.4Confident66.4Low35 Ų35132.4 Ų132.436%0.36161%0.611SS.*  trans-69.7170.8170.100000112.8Q10 Y14 N15 T16Q10-G12 PolarHBondContact O-N 3.19Å; G12-Y14 PolarHBondContact O-N 3.36Å; G12-N15 PolarHBondContact O-N 3.28Å; G12-T16 PolarHBondContact O-N 3.07Å; G12-T16 VanDerWaalsContact O-N 3.09Å; G12-T16 PolarHBondContact O-OG1 2.87Å; G12-T16 VanDerWaalsContact O-OG1 3.08Å
13R76.4Confident68.6Low239 Ų239127.3 Ų127.390%0.90258%0.577SS**Hα-helixtrans-54-37.6174-70.7-176.4177.8-177.7-0.5112.3T16 R17R13-T16 PolarHBondContact O-N 3.36Å; R13-R17 PolarHBondContact O-N 2.84Å
14Y80.3Confident70.9Confident167 Ų167126.3 Ų126.366%0.65557%0.565SS**Hα-helixtrans-64-49.1178-177.9-96.2000112.6G12 T16 R17 R18G12-Y14 PolarHBondContact O-N 3.36Å; Y14-T16 VanDerWaalsContact C-N 3.26Å; Y14-T16 PolarHBondContact O-N 3.19Å; Y14-R17 PolarHBondContact O-N 2.88Å; Y14-R17 VanDerWaalsContact O-N 3.13Å; Y14-R18 PolarHBondContact O-N 2.99Å
15N80.9Confident72.9Confident66 Ų66120.8 Ų120.835%0.35355%0.549SS..Hα-helixtrans-60.1-40.2177.5-66.1-14.7000111Q10 F11 G12 R17 R18 F19Q10-N15 PolarHBondContact O-ND2 3.35Å; F11-N15 HydrophobicContact CD1-CB 3.39Å; F11-N15 HydrophobicContact CD2-CB 4.46Å; F11-N15 HydrophobicContact CE1-CB 3.51Å; F11-N15 WeakPolarHBondContact CE1-O 2.98Å; F11-N15 HydrophobicContact CG-CB 3.92Å; F11-N15 HydrophobicContact CZ-CB 4.11Å; G12-N15 PolarHBondContact O-N 3.28Å; N15-R17 PolarHBondContact O-N 2.82Å; N15-R18 PolarHBondContact O-N 3.32Å; N15-F19 WeakPolarHBondContact O-CB 3.46Å; N15-F19 PolarHBondContact O-N 3.24Å
16T80.7Confident74.8Confident29 Ų29116.4 Ų116.418%0.17853%0.531CS..Hα-helixtrans-61.7-43.8176-54.10000111.9G12 R13 Y14 F19 K20G12-T16 PolarHBondContact O-N 3.07Å; G12-T16 VanDerWaalsContact O-N 3.09Å; G12-T16 PolarHBondContact O-OG1 2.87Å; G12-T16 VanDerWaalsContact O-OG1 3.08Å; R13-T16 PolarHBondContact O-N 3.36Å; Y14-T16 VanDerWaalsContact C-N 3.26Å; Y14-T16 PolarHBondContact O-N 3.19Å; T16-F19 PolarHBondContact O-N 2.8Å; T16-K20 WeakPolarHBondContact O-CG 3.25Å; T16-K20 PolarHBondContact O-N 2.8Å
17R84.9Confident76.6Confident182 Ų182110.7 Ų110.769%0.68752%0.517SS*.Hα-helixtrans-63.7-45.3176.8-174179.4-179.8178.80.3111.5R13 Y14 N15 K20 L21R13-R17 PolarHBondContact O-N 2.84Å; Y14-R17 PolarHBondContact O-N 2.88Å; Y14-R17 VanDerWaalsContact O-N 3.13Å; N15-R17 PolarHBondContact O-N 2.82Å; R17-K20 PolarHBondContact O-N 3.3Å; R17-L21 HydrophobicContact CG-CD1 4.38Å; R17-L21 WeakPolarHBondContact O-CG 3.41Å; R17-L21 PolarHBondContact O-N 2.9Å
18R86.6Confident78.3Confident155 Ų155115.6 Ų115.659%0.58553%0.526SS*.Hα-helixtrans-62.6-42.7178.2-170176-179.6177.80.3111.7Y14 N15 L21 L22Y14-R18 PolarHBondContact O-N 2.99Å; N15-R18 PolarHBondContact O-N 3.32Å; R18-L21 PolarHBondContact O-N 2.87Å; R18-L22 HydrophobicContact CG-CD1 4.28Å; R18-L22 WeakPolarHBondContact O-CG 3.46Å; R18-L22 PolarHBondContact O-N 3.21Å
19F84.7Confident79.9Confident43 Ų43115.4 Ų115.419%0.18952%0.522CS..Hα-helixtrans-59.5-48.2174.4177.3-90.4000111.8F11 N15 T16 L21 L22 Y23 V150 F153 W155F11-F19 HydrophobicContact CE1-CB 4.13Å; F11-F19 HydrophobicContact CZ-CB 4.49Å; N15-F19 WeakPolarHBondContact O-CB 3.46Å; N15-F19 PolarHBondContact O-N 3.24Å; T16-F19 PolarHBondContact O-N 2.8Å; F19-L21 VanDerWaalsContact C-N 3.34Å; F19-L21 PolarHBondContact O-N 2.84Å; F19-L22 PolarHBondContact O-N 3.02Å; F19-Y23 VanDerWaalsContact O-CB 3.3Å; F19-Y23 WeakPolarHBondContact O-CB 3.49Å; F19-Y23 PolarHBondContact O-N 3.4Å; F19-V150 HydrophobicContact CE1-CG1 4.24Å; F19-V150 HydrophobicContact CE2-CG1 4.49Å; F19-V150 HydrophobicContact CZ-CG1 4.22Å; F19-F153 HydrophobicContact CD1-CD2 4.45Å; F19-F153 HydrophobicContact CE1-CB 4.43Å; F19-F153 HydrophobicContact CE1-CD1 4.06Å; F19-F153 AromaticContact CE1-CD2 3.66Å; F19-F153 HydrophobicContact CE1-CD2 3.66Å; F19-F153 HydrophobicContact CE1-CE1 4.25Å; F19-F153 AromaticContact CE1-CE2 3.86Å; F19-F153 HydrophobicContact CE1-CE2 3.86Å; F19-F153 AromaticContact CE1-CG 3.77Å; F19-F153 HydrophobicContact CE1-CG 3.77Å; F19-F153 HydrophobicContact CE1-CZ 4.17Å; F19-F153 HydrophobicContact CZ-CD1 4.18Å; F19-F153 HydrophobicContact CZ-CE1 4.34Å; F19-F153 HydrophobicContact CZ-CG 4.3Å; F19-W155 HydrophobicContact CE2-CH2 4.42Å; F19-W155 AromaticContact CZ-CH2 3.98Å; F19-W155 HydrophobicContact CZ-CH2 3.98Å; F19-W155 HydrophobicContact CZ-CZ2 4.29Å
20K85.7Confident81Confident112 Ų112109.9 Ų109.949%0.48752%0.516SS..Hα-helixtrans-58.6-44.7178.4-74.9-177.3177.7-169.50112.1T16 R17 Y23 E24T16-K20 WeakPolarHBondContact O-CG 3.25Å; T16-K20 PolarHBondContact O-N 2.8Å; R17-K20 PolarHBondContact O-N 3.3Å; K20-Y23 PolarHBondContact O-N 2.76Å; K20-E24 WeakPolarHBondContact O-CB 3.48Å; K20-E24 VanDerWaalsContact O-CG 3.29Å; K20-E24 WeakPolarHBondContact O-CG 3.13Å; K20-E24 PolarHBondContact O-N 2.64Å
21L88.2Confident82Confident101 Ų101110.9 Ų110.953%0.52952%0.522SS..Hα-helixtrans-62.6-44.9177.7-71.2171.1000112.6R17 R18 F19 S25R17-L21 HydrophobicContact CG-CD1 4.38Å; R17-L21 WeakPolarHBondContact O-CG 3.41Å; R17-L21 PolarHBondContact O-N 2.9Å; R18-L21 PolarHBondContact O-N 2.87Å; F19-L21 VanDerWaalsContact C-N 3.34Å; F19-L21 PolarHBondContact O-N 2.84Å; L21-S25 WeakPolarHBondContact O-CB 3.06Å; L21-S25 PolarHBondContact O-N 3Å
22L88.4Confident82.9Confident112 Ų112112.6 Ų112.659%0.58654%0.54SS*.Hα-helixtrans-64.4-42.2177-72.5170.6000111.5R18 F19 S25 W26R18-L22 HydrophobicContact CG-CD1 4.28Å; R18-L22 WeakPolarHBondContact O-CG 3.46Å; R18-L22 PolarHBondContact O-N 3.21Å; F19-L22 PolarHBondContact O-N 3.02Å; L22-S25 WeakPolarHBondContact O-CB 3.49Å; L22-S25 PolarHBondContact O-N 3.05Å; L22-W26 WeakPolarHBondContact O-CB 3.35Å; L22-W26 PolarHBondContact O-N 3.42Å
23Y84.7Confident83.2Confident34 Ų34115.9 Ų115.913%0.13356%0.555CS.*Hα-helixtrans-66.9-41.5178.9-173.3-103.1000112.2F19 K20 S25 W26 L27 F153 W155 P156F19-Y23 VanDerWaalsContact O-CB 3.3Å; F19-Y23 WeakPolarHBondContact O-CB 3.49Å; F19-Y23 PolarHBondContact O-N 3.4Å; K20-Y23 PolarHBondContact O-N 2.76Å; Y23-S25 VanDerWaalsContact C-N 3.33Å; Y23-W26 AromaticContact CD2-CE3 3.9Å; Y23-W26 HydrophobicContact CD2-CE3 3.9Å; Y23-W26 HydrophobicContact CD2-CZ3 4.35Å; Y23-W26 AromaticContact CE2-CE3 3.7Å; Y23-W26 HydrophobicContact CE2-CE3 3.7Å; Y23-W26 AromaticContact CE2-CZ3 3.75Å; Y23-W26 HydrophobicContact CE2-CZ3 3.75Å; Y23-W26 PolarHBondContact O-N 2.82Å; Y23-L27 HydrophobicContact CD1-CD1 3.82Å; Y23-L27 HydrophobicContact CD1-CG 4.22Å; Y23-L27 HydrophobicContact CE1-CD1 3.31Å; Y23-L27 HydrophobicContact CE1-CD2 4.34Å; Y23-L27 HydrophobicContact CE1-CG 3.81Å; Y23-L27 WeakPolarHBondContact O-CG 3.32Å; Y23-L27 PolarHBondContact O-N 2.92Å; Y23-F153 HydrophobicContact CD1-CE2 4.11Å; Y23-F153 AromaticContact CD1-CZ 3.7Å; Y23-F153 HydrophobicContact CD1-CZ 3.7Å; Y23-F153 HydrophobicContact CD2-CZ 4.33Å; Y23-F153 HydrophobicContact CE1-CE1 4.35Å; Y23-F153 HydrophobicContact CE1-CE2 4.17Å; Y23-F153 AromaticContact CE1-CZ 3.41Å; Y23-F153 HydrophobicContact CE1-CZ 3.41Å; Y23-F153 VanDerWaalsContact CE1-CZ 3.41Å; Y23-F153 HydrophobicContact CE2-CE1 4.32Å; Y23-F153 HydrophobicContact CE2-CZ 4.09Å; Y23-F153 HydrophobicContact CG-CZ 4.15Å; Y23-F153 AromaticContact CZ-CZ 3.64Å; Y23-W155 HydrophobicContact CE2-CZ3 4.49Å; Y23-P156 WeakPolarHBondContact OH-CD 3.43Å
24E86.6Confident83.3Confident98 Ų98112.6 Ų112.646%0.45855%0.548SS..Hα-helixtrans-62.2-39.5172.4-77.2171.2-162.500112K20 K28K20-E24 WeakPolarHBondContact O-CB 3.48Å; K20-E24 VanDerWaalsContact O-CG 3.29Å; K20-E24 WeakPolarHBondContact O-CG 3.13Å; K20-E24 PolarHBondContact O-N 2.64Å; E24-K28 WeakPolarHBondContact O-CG 3.47Å; E24-K28 PolarHBondContact O-N 3.1Å
25S90Very high83.5Confident69 Ų69112.2 Ų112.248%0.48355%0.552SS.*Hα-helixtrans-62.1-44.9173.7-167.90000111.1L21 L22 Y23 K28 E29L21-S25 WeakPolarHBondContact O-CB 3.06Å; L21-S25 PolarHBondContact O-N 3Å; L22-S25 WeakPolarHBondContact O-CB 3.49Å; L22-S25 PolarHBondContact O-N 3.05Å; Y23-S25 VanDerWaalsContact C-N 3.33Å; S25-K28 WeakPolarHBondContact O-CB 3.46Å; S25-K28 PolarHBondContact O-N 3Å; S25-K28 VanDerWaalsContact O-N 3.16Å; S25-E29 PolarHBondContact O-N 2.79Å
26W82.9Confident83.5Confident138 Ų138110.6 Ų110.652%0.52354%0.544SS..Hα-helixtrans-65.3-39.7179-175.753.8000112.6L22 Y23 K28 E29L22-W26 WeakPolarHBondContact O-CB 3.35Å; L22-W26 PolarHBondContact O-N 3.42Å; Y23-W26 AromaticContact CD2-CE3 3.9Å; Y23-W26 HydrophobicContact CD2-CE3 3.9Å; Y23-W26 HydrophobicContact CD2-CZ3 4.35Å; Y23-W26 AromaticContact CE2-CE3 3.7Å; Y23-W26 HydrophobicContact CE2-CE3 3.7Å; Y23-W26 AromaticContact CE2-CZ3 3.75Å; Y23-W26 HydrophobicContact CE2-CZ3 3.75Å; Y23-W26 PolarHBondContact O-N 2.82Å; W26-K28 PolarHBondContact O-N 2.84Å; W26-E29 WeakPolarHBondContact O-CB 3.46Å; W26-E29 PolarHBondContact O-N 3.11Å; W26-E29 VanDerWaalsContact O-N 3.12Å
27L81Confident83.9Confident111 Ų111112.1 Ų112.158%0.58156%0.555SS**Hα-helixtrans-66.2-23.2174.2-75-179.3000113.6Y23 E29Y23-L27 HydrophobicContact CD1-CD1 3.82Å; Y23-L27 HydrophobicContact CD1-CG 4.22Å; Y23-L27 HydrophobicContact CE1-CD1 3.31Å; Y23-L27 HydrophobicContact CE1-CD2 4.34Å; Y23-L27 HydrophobicContact CE1-CG 3.81Å; Y23-L27 WeakPolarHBondContact O-CG 3.32Å; Y23-L27 PolarHBondContact O-N 2.92Å; L27-E29 VanDerWaalsContact C-N 3.34Å
28K86.8Confident84Confident170 Ų170107 Ų10774%0.73955%0.551SS**Hα-helixtrans-81.2-14.6174.3-72.9172.4-178.1177.70112.8E24 S25 W26 A30E24-K28 WeakPolarHBondContact O-CG 3.47Å; E24-K28 PolarHBondContact O-N 3.1Å; S25-K28 WeakPolarHBondContact O-CB 3.46Å; S25-K28 PolarHBondContact O-N 3Å; S25-K28 VanDerWaalsContact O-N 3.16Å; W26-K28 PolarHBondContact O-N 2.84Å; K28-A30 PolarHBondContact O-N 3.46Å; K28-A30 VanDerWaalsContact O-N 3.08Å
29E84.5Confident84.1Confident134 Ų134105.8 Ų105.863%0.62656%0.557SS**SBendtrans-69105.8172.2-66.5179.6175.700108.6S25 W26 L27 M31S25-E29 PolarHBondContact O-N 2.79Å; W26-E29 WeakPolarHBondContact O-CB 3.46Å; W26-E29 PolarHBondContact O-N 3.11Å; W26-E29 VanDerWaalsContact O-N 3.12Å; L27-E29 VanDerWaalsContact C-N 3.34Å; E29-M31 PolarHBondContact O-N 2.76Å
30A77.8Confident84Confident92 Ų92107.7 Ų107.776%0.7657%0.568SS**PPolyproline II helixtrans-66.1129.2173.900000109.2K28K28-A30 PolarHBondContact O-N 3.46Å; K28-A30 VanDerWaalsContact O-N 3.08Å
31M76.9Confident84Confident171 Ų171108.6 Ų108.684%0.84257%0.572SS**PPolyproline II helixtrans-60.8130.8168.6-169.4-179.5-62.700107.9E29E29-M31 PolarHBondContact O-N 2.76Å
32P80.6Confident84Confident106 Ų106107.6 Ų107.669%0.68858%0.578SS**PPolyproline II helixtrans-58137.6175.323.7-32.6000109.1
33P78.3Confident84Confident104 Ų104108 Ų10868%0.67558%0.58SS**PPolyproline II helixtrans-58.6145177.825.5-33.3000109.7E35P33-E35 PolarHBondContact O-N 2.8Å
34F79.9Confident84.1Confident170 Ų170113.6 Ų113.675%0.74661%0.613SS**  trans-63111.3175.5174-102.1000109.5V36F34-V36 HydrophobicContact CD1-CG2 4.5Å; F34-V36 HydrophobicContact CE1-CG2 3.97Å
35E83.4Confident84Confident159 Ų159113.4 Ų113.474%0.74362%0.618SS**PPolyproline II helixtrans-91.9124.3171.6-67.3-175.1-17900109.6P33 P37P33-E35 PolarHBondContact O-N 2.8Å; E35-P37 VanDerWaalsContact O-CD 3.28Å; E35-P37 WeakPolarHBondContact O-CD 3.44Å
36V81.1Confident83.7Confident32 Ų32117.9 Ų117.919%0.19463%0.629CS.*PPolyproline II helixtrans-62.9122.9175.1-179.20000108.8F34 L40 K41 I47F34-V36 HydrophobicContact CD1-CG2 4.5Å; F34-V36 HydrophobicContact CE1-CG2 3.97Å; V36-L40 HydrophobicContact CG1-CB 3.76Å; V36-K41 HydrophobicContact CB-CG 4.19Å; V36-K41 HydrophobicContact CG1-CG 3.83Å; V36-K41 VanDerWaalsContact O-CE 3.28Å; V36-K41 WeakPolarHBondContact O-CE 3.23Å; V36-I47 HydrophobicContact CB-CD1 4.12Å; V36-I47 HydrophobicContact CG1-CD1 3.38Å; V36-I47 HydrophobicContact CG2-CD1 3.57Å
37P88.4Confident83.4Confident61 Ų61116 Ų11640%0.39663%0.628SS.*PPolyproline II helixtrans-50.5142.7173.7-27.733.2000112.5E35 D39 L40 K41E35-P37 VanDerWaalsContact O-CD 3.28Å; E35-P37 WeakPolarHBondContact O-CD 3.44Å; P37-D39 PolarHBondContact O-N 2.97Å; P37-L40 HydrophobicContact CG-CD1 4.28Å; P37-L40 PolarHBondContact O-N 2.72Å; P37-K41 PolarHBondContact O-N 2.81Å
38A88.1Confident83.3Confident74 Ų74116.3 Ų116.361%0.61263%0.626SS**Hα-helixtrans-55.3-38.3-177.600000112.6L40 K41 A42A38-L40 VanDerWaalsContact C-N 3.31Å; A38-L40 PolarHBondContact O-N 2.65Å; A38-K41 WeakPolarHBondContact O-CB 3.41Å; A38-K41 PolarHBondContact O-N 2.88Å; A38-K41 VanDerWaalsContact O-N 3.16Å; A38-A42 PolarHBondContact O-N 3.08Å
39D88.7Confident82.8Confident131 Ų131111.8 Ų111.870%0.70161%0.61SS**Hα-helixtrans-61.6-36.8179.2-52.4-21.7000112.5P37 A42 L43P37-D39 PolarHBondContact O-N 2.97Å; D39-A42 PolarHBondContact O-N 3.1Å; D39-L43 PolarHBondContact O-N 2.98Å
40L83.1Confident82Confident82 Ų82110 Ų11043%0.42961%0.61SS.*Hα-helixtrans-74.6-33.9177.2-75.6175.2000112V36 P37 A38 A42 L43V36-L40 HydrophobicContact CG1-CB 3.76Å; P37-L40 HydrophobicContact CG-CD1 4.28Å; P37-L40 PolarHBondContact O-N 2.72Å; A38-L40 VanDerWaalsContact C-N 3.31Å; A38-L40 PolarHBondContact O-N 2.65Å; L40-A42 VanDerWaalsContact C-N 3.28Å; L40-A42 PolarHBondContact O-N 3.01Å; L40-L43 HydrophobicContact CD2-CD1 4.2Å; L40-L43 PolarHBondContact O-N 3.11Å
41K85.3Confident81.8Confident132 Ų132112.3 Ų112.357%0.57461%0.61SS**Hα-helixtrans-63.1-37.4172.4-66.5-179.2-179.5171.30111V36 P37 A38 L43 N44V36-K41 HydrophobicContact CB-CG 4.19Å; V36-K41 HydrophobicContact CG1-CG 3.83Å; V36-K41 VanDerWaalsContact O-CE 3.28Å; V36-K41 WeakPolarHBondContact O-CE 3.23Å; P37-K41 PolarHBondContact O-N 2.81Å; A38-K41 WeakPolarHBondContact O-CB 3.41Å; A38-K41 PolarHBondContact O-N 2.88Å; A38-K41 VanDerWaalsContact O-N 3.16Å; K41-L43 VanDerWaalsContact C-N 3.26Å; K41-L43 PolarHBondContact O-N 3.15Å; K41-N44 PolarHBondContact O-N 2.88Å
42A88.6Confident81.6Confident79 Ų79111.1 Ų111.165%0.65361%0.606SS**Hα-helixtrans-65.4-26.4177.700000113.6A38 D39 L40 N44A38-A42 PolarHBondContact O-N 3.08Å; D39-A42 PolarHBondContact O-N 3.1Å; L40-A42 VanDerWaalsContact C-N 3.28Å; L40-A42 PolarHBondContact O-N 3.01Å; A42-N44 PolarHBondContact O-N 2.9Å
43L87.5Confident81Confident120 Ų120110.8 Ų110.863%0.62860%0.597SS**THydrogen-bonded Turntrans-77.8-2.4179.7-68.5171.1000114D39 L40 K41 V45D39-L43 PolarHBondContact O-N 2.98Å; L40-L43 HydrophobicContact CD2-CD1 4.2Å; L40-L43 PolarHBondContact O-N 3.11Å; K41-L43 VanDerWaalsContact C-N 3.26Å; K41-L43 PolarHBondContact O-N 3.15Å; L43-V45 HydrophobicContact CB-CG2 3.83Å; L43-V45 PolarHBondContact O-N 3.03Å
44N86.6Confident80.3Confident153 Ų153114.2 Ų114.282%0.81860%0.604SS**THydrogen-bonded Turntrans50.730.1-178.6-73.5-24.8000114.1K41 A42K41-N44 PolarHBondContact O-N 2.88Å; A42-N44 PolarHBondContact O-N 2.9Å
45V84.5Confident79.2Confident93 Ų93110.6 Ų110.656%0.56460%0.599SS**  trans-79.6133.5178.8-178.70000109.5L43 I47L43-V45 HydrophobicContact CB-CG2 3.83Å; L43-V45 PolarHBondContact O-N 3.03Å; V45-I47 PolarHBondContact O-N 2.81Å; V45-I47 VanDerWaalsContact O-N 3.14Å
46K83.5Confident77.6Confident164 Ų164110.7 Ų110.771%0.71360%0.604SS**  trans-68.8108175.1-171.5177.8-178179.40110
47I77.3Confident76.1Confident98 Ų98115.8 Ų115.850%0.50363%0.63SS.*PPolyproline II helixtrans-88.5120.1177.7-60171.6000108.5V36 V45V36-I47 HydrophobicContact CB-CD1 4.12Å; V36-I47 HydrophobicContact CG1-CD1 3.38Å; V36-I47 HydrophobicContact CG2-CD1 3.57Å; V45-I47 PolarHBondContact O-N 2.81Å; V45-I47 VanDerWaalsContact O-N 3.14Å
48H79.5Confident74.2Confident117 Ų117121.5 Ų121.554%0.54266%0.656SS.*PPolyproline II helixtrans-94.1134.1176.5-70-88.2000110.1P50H48-P50 WeakPolarHBondContact O-CD 3.29Å
49D75.4Confident71.9Confident76 Ų76123.1 Ų123.141%0.40666%0.659SS.*PPolyproline II helixtrans-71.1120.1170.3-173.6-14.7000108.7N51 L52D49-N51 PolarHBondContact O-N 3.06Å; D49-N51 WeakPolarHBondContact OD1-CB 3.48Å; D49-N51 PolarHBondContact OD1-N 3.38Å; D49-N51 PolarHBondContact OD1-ND2 2.77Å; D49-L52 HydrophobicContact CB-CB 4.42Å; D49-L52 HydrophobicContact CB-CD1 3.92Å; D49-L52 HydrophobicContact CB-CG 3.99Å; D49-L52 PolarHBondContact O-N 3.06Å
50P68.3Low69.7Low96 Ų96122.8 Ų122.862%0.62366%0.661SS**G310 helixtrans-59.1-26178.524.7-34.9000112.9H48 L52 I53H48-P50 WeakPolarHBondContact O-CD 3.29Å; P50-L52 PolarHBondContact O-N 3.33Å; P50-I53 PolarHBondContact O-N 3.12Å
51N73Confident67.8Low141 Ų141126.9 Ų126.975%0.75468%0.684SS**G310 helixtrans-71.4-17.7178.5-60.6-42.3000113.2D49D49-N51 PolarHBondContact O-N 3.06Å; D49-N51 WeakPolarHBondContact OD1-CB 3.48Å; D49-N51 PolarHBondContact OD1-N 3.38Å; D49-N51 PolarHBondContact OD1-ND2 2.77Å
52L73.3Confident65.6Low145 Ų145125.6 Ų125.676%0.75969%0.689SS**G310 helixtrans-94.7-3.8178.1-61.5177.9000112.7D49 P50 H54D49-L52 HydrophobicContact CB-CB 4.42Å; D49-L52 HydrophobicContact CB-CD1 3.92Å; D49-L52 HydrophobicContact CB-CG 3.99Å; D49-L52 PolarHBondContact O-N 3.06Å; P50-L52 PolarHBondContact O-N 3.33Å; L52-H54 PolarHBondContact O-N 3.13Å
53I68.3Low63.2Low100 Ų100129.8 Ų129.851%0.51370%0.699SS.*  trans-81.9108.7177.7-56.3177000107.8P50 C55P50-I53 PolarHBondContact O-N 3.12Å; I53-C55 VanDerWaalsContact C-N 3.29Å; I53-C55 PolarHBondContact O-N 2.96Å
54H61.6Low60.8Low175 Ų175131.4 Ų131.481%0.8171%0.707SS**  trans-69.687.5172.9-152.7-51.7000108.8L52 L56L52-H54 PolarHBondContact O-N 3.13Å; H54-L56 PolarHBondContact O-N 2.91Å
55C56.8Low58.5Low95 Ų95130.1 Ų130.164%0.64271%0.705SS**  trans-65.4130.4169.4-72.40000108.5I53 D57I53-C55 VanDerWaalsContact C-N 3.29Å; I53-C55 PolarHBondContact O-N 2.96Å; C55-D57 PolarHBondContact O-N 2.63Å
56L50.6Low56.2Low161 Ų161132.4 Ų132.484%0.84371%0.714SS**  trans-65.7125.8174.7-75160.6000109.1H54 L58H54-L56 PolarHBondContact O-N 2.91Å; L56-L58 PolarHBondContact O-N 3.33Å
57D49Very low53.9Low138 Ų138128.2 Ų128.274%0.73872%0.716SS**  trans-65.1104.9173.3-75.8-35.4000109.4C55 T59C55-D57 PolarHBondContact O-N 2.63Å; D57-T59 HydrophobicContact CB-CG2 4.24Å; D57-T59 PolarHBondContact O-N 2.87Å
58L48.2Very low52.1Low181 Ų181132.4 Ų132.495%0.94873%0.734SS**  trans-69.979.5165.9-72.7167000108.1L56L56-L58 PolarHBondContact O-N 3.33Å
59T41.4Very low50.3Low109 Ų109132.7 Ų132.767%0.66974%0.744SS**  trans-77.2136.9172.341.70000110D57D57-T59 HydrophobicContact CB-CG2 4.24Å; D57-T59 PolarHBondContact O-N 2.87Å
60T42.3Very low48.7Very low123 Ų123135.2 Ų135.276%0.75577%0.765SS**  trans79.7101.3165.167.30000117.8P62T60-P62 WeakPolarHBondContact O-CD 3.23Å
61N42.6Very low47.7Very low169 Ų169135.4 Ų135.490%0.90476%0.764SS**  trans-91.1110.4152.8-71.4-26.1000108.2
62P39Very low46.7Very low105 Ų105133.7 Ų133.768%0.68277%0.77SS**  trans-102.492.1167.933.8-22.8000108.8T60T60-P62 WeakPolarHBondContact O-CD 3.23Å
63L38.7Very low45.8Very low166 Ų166130.4 Ų130.487%0.86976%0.758SS**  trans-141.974.3157.6-70.8179.3000107.8V65L63-V65 PolarHBondContact O-N 2.81Å
64I36Very low45.8Very low154 Ų154129.9 Ų129.979%0.7976%0.764SS**  trans-74113.2159-63.5172.3000104.6D66I64-D66 PolarHBondContact O-N 2.84Å
65V39.6Very low46.8Very low127 Ų127126.2 Ų126.277%0.7775%0.747SS**  trans-76111.5175.3177.50000106.8L63L63-V65 PolarHBondContact O-N 2.81Å
66D35.2Very low48.4Very low141 Ų141125.3 Ų125.375%0.75474%0.738SS**  trans-57.2140.8178.1-80.2-40.7000111.8I64 Q68I64-D66 PolarHBondContact O-N 2.84Å; D66-Q68 PolarHBondContact O-N 3.3Å
67G36Very low50.4Low75 Ų75117.6 Ų117.677%0.77370%0.698SS**  trans-53.7124.4-173.400000113.1T69G67-T69 PolarHBondContact O-N 3.4Å
68Q38.6Very low52.6Low186 Ų186112.3 Ų112.387%0.86967%0.669SS**  trans-73.9111.5165-67.7-178.5-8.400108.3D66D66-Q68 PolarHBondContact O-N 3.3Å
69T41.6Very low54.8Low123 Ų123103.9 Ų103.976%0.75563%0.625SS**PPolyproline II helixtrans-67.3132167.438.20000110.1G67G67-T69 PolarHBondContact O-N 3.4Å
70P42.4Very low57.3Low129 Ų12998.7 Ų98.784%0.83859%0.593SS**PPolyproline II helixtrans-74.9126.5-174.127.6-32.3000112.2
71V48.3Very low59.7Low100 Ų10095.3 Ų95.361%0.60657%0.57SS**PPolyproline II helixtrans-82.3140.7174.6177.10000110.3S73V71-S73 PolarHBondContact O-N 3Å
72A50.9Low62Low106 Ų10687.7 Ų87.788%0.87653%0.532SS*.SBendtrans-93.841.1-154.800000116.8
73S54Low64.5Low75 Ų7586.8 Ų86.852%0.52452%0.524SS..  trans-135.397.6168.254.90000110.3V71 S261V71-S73 PolarHBondContact O-N 3Å; S73-S261 WeakPolarHBondContact O-CA 3.27Å; S73-S261 PolarHBondContact OG-O 3.09Å
74S69.5Low66.8Low89 Ų8980.1 Ų80.162%0.62249%0.488SS*.  trans-92.5101.1-169.756.10000112.1S259S74-S259 WeakPolarHBondContact CB-OG 2.87Å
75E82.3Confident69.4Low98 Ų9874.2 Ų74.246%0.45846%0.461SS..EExtended strand (participates in β ladder)trans-85.5132.8151.3-74.4-164.7-165.200108.2R204 I260 I263E75-R204 IonicContact OE2-NH2 3.18Å; E75-R204 PolarHBondContact OE2-NH2 2.87Å; E75-I260 PolarHBondContact N-O 3.27Å; E75-I260 PolarHBondContact O-N 2.99Å; E75-I263 WeakPolarHBondContact OE2-CD1 3.49Å
76T90.3Very high72Confident76 Ų7668.2 Ų68.247%0.46643%0.425SS..EExtended strand (participates in β ladder)trans-86.1129.717560.30000109.9
77C92.3Very high74.7Confident0 Ų064.2 Ų64.20%041%0.411CS..EExtended strand (participates in β ladder)trans-126.7160.2173.974.80000111.6L209 C211 K257 E258 I260C77-L209 CarbonylContact C-O 3.51Å; C77-L209 VanDerWaalsContact CA-O 3.23Å; C77-L209 WeakPolarHBondContact CA-O 3.2Å; C77-L209 HydrophobicContact CB-CB 4.11Å; C77-L209 HydrophobicContact CB-CD2 3.98Å; C77-L209 HydrophobicContact CB-CG 4.02Å; C77-L209 WeakPolarHBondContact CB-O 3.15Å; C77-C211 HydrophobicContact CB-CB 4.47Å; C77-K257 WeakPolarHBondContact O-CA 3.18Å; C77-E258 PolarHBondContact N-O 2.88Å; C77-E258 PolarHBondContact O-N 2.88Å; C77-I260 HydrophobicContact CB-CD1 4.4Å; C77-I260 WeakPolarHBondContact SG-CD1 3.2Å; C77-I260 VanDerWaalsContact SG-CG1 3.53Å
78F95Very high77.4Confident27 Ų2764.2 Ų64.212%0.11839%0.391CS..EExtended strand (participates in β ladder)trans-101.8117.1170.1-62.8-90.9000109.6E208 L209 L210 C211 L252 L255 R256 K257F78-E208 HydrophobicContact CD2-CB 4.37Å; F78-E208 HydrophobicContact CE2-CB 4.18Å; F78-E208 HydrophobicContact CE2-CG 4.23Å; F78-L209 PolarHBondContact N-O 3.08Å; F78-L210 HydrophobicContact CB-CD2 4.03Å; F78-L210 CarbonylContact O-C 3.26Å; F78-L210 WeakPolarHBondContact O-CA 3.48Å; F78-C211 PolarHBondContact O-N 2.88Å; F78-L252 HydrophobicContact CB-CD1 4.41Å; F78-L252 HydrophobicContact CD1-CB 4.19Å; F78-L252 HydrophobicContact CD1-CD1 4.24Å; F78-L252 HydrophobicContact CD2-CD1 3.43Å; F78-L252 VanDerWaalsContact CD2-CD1 3.43Å; F78-L252 HydrophobicContact CE1-CB 4.28Å; F78-L252 HydrophobicContact CE1-CD1 4.33Å; F78-L252 HydrophobicContact CE2-CD1 3.54Å; F78-L252 HydrophobicContact CG-CB 4.43Å; F78-L252 HydrophobicContact CG-CD1 3.79Å; F78-L252 HydrophobicContact CZ-CD1 3.99Å; F78-L255 HydrophobicContact CB-CB 3.88Å; F78-L255 HydrophobicContact CB-CD1 3.96Å; F78-L255 HydrophobicContact CD1-CB 4.3Å; F78-R256 CarbonylContact C-O 3.35Å; F78-R256 VanDerWaalsContact CA-O 3.29Å; F78-R256 WeakPolarHBondContact CA-O 3.47Å; F78-K257 HydrophobicContact CD1-CB 4.14Å; F78-K257 HydrophobicContact CD1-CG 4.48Å; F78-K257 HydrophobicContact CE1-CB 4.07Å; F78-K257 HydrophobicContact CE1-CD 4.18Å; F78-K257 HydrophobicContact CE1-CG 4.2Å; F78-K257 HydrophobicContact CZ-CD 4.27Å
79T94.3Very high80Confident3 Ų355.4 Ų55.42%0.01835%0.35CS..EExtended strand (participates in β ladder)trans-97.1131.2-174.155.90000111.4C211 R256 E258T79-C211 CarbonylContact C-O 3.53Å; T79-C211 VanDerWaalsContact CA-O 3.29Å; T79-C211 WeakPolarHBondContact CA-O 3.27Å; T79-C211 HydrophobicContact CG2-CB 3.94Å; T79-R256 PolarHBondContact N-O 2.84Å; T79-R256 PolarHBondContact O-N 2.7Å; T79-R256 VanDerWaalsContact OG1-CB 3.26Å; T79-R256 WeakPolarHBondContact OG1-CB 3.37Å; T79-R256 PolarHBondContact OG1-O 2.86Å; T79-R256 VanDerWaalsContact OG1-O 3.11Å; T79-E258 HydrophobicContact CG2-CB 4.07Å; T79-E258 HydrophobicContact CG2-CG 4.13Å
80F95.1Very high82.6Confident1 Ų150.5 Ų50.50%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-110.7115.3166.9172.3-96.9000109.5C211 F212 S213 V214 L255 N300 L303F80-C211 PolarHBondContact N-O 2.91Å; F80-F212 HydrophobicContact CB-CD1 3.92Å; F80-F212 HydrophobicContact CB-CE1 4.23Å; F80-F212 AromaticContact CD1-CD1 3.8Å; F80-F212 HydrophobicContact CD1-CD1 3.8Å; F80-F212 HydrophobicContact CD1-CE1 4.45Å; F80-F212 HydrophobicContact CG-CD1 4.15Å; F80-F212 HydrophobicContact CG-CE1 4.49Å; F80-S213 PolarHBondContact O-N 3.31Å; F80-V214 HydrophobicContact CD1-CG2 4.49Å; F80-V214 HydrophobicContact CE1-CG2 4.23Å; F80-L255 HydrophobicContact CB-CD2 3.97Å; F80-L255 HydrophobicContact CD2-CD2 4.15Å; F80-N300 VanDerWaalsContact CZ-OD1 3.24Å; F80-N300 WeakPolarHBondContact CZ-OD1 3.27Å; F80-L303 HydrophobicContact CD1-CB 4.05Å; F80-L303 HydrophobicContact CD2-CB 4.38Å; F80-L303 HydrophobicContact CD2-CD1 3.61Å; F80-L303 HydrophobicContact CE1-CB 3.55Å; F80-L303 HydrophobicContact CE2-CB 3.92Å; F80-L303 HydrophobicContact CE2-CD1 3.61Å; F80-L303 HydrophobicContact CE2-CG 4.39Å; F80-L303 HydrophobicContact CG-CB 4.43Å; F80-L303 HydrophobicContact CG-CD1 4.09Å; F80-L303 HydrophobicContact CZ-CB 3.47Å; F80-L303 VanDerWaalsContact CZ-CB 3.47Å; F80-L303 HydrophobicContact CZ-CD1 4.09Å; F80-L303 HydrophobicContact CZ-CG 4.4Å
81D92.5Very high85.2Confident52 Ų5249.5 Ų49.528%0.27830%0.302SS..  trans-110.41.5175.4-71-31.3000114T83 S213 R256D81-T83 HydrophobicContact CB-CG2 4.23Å; D81-T83 PolarHBondContact O-N 3.28Å; D81-S213 VanDerWaalsContact CA-O 3.24Å; D81-S213 WeakPolarHBondContact CA-O 3.25Å; D81-S213 WeakPolarHBondContact OD1-CB 3.5Å; D81-S213 PolarHBondContact OD1-OG 2.62Å; D81-R256 IonicContact OD2-CZ 2.91Å; D81-R256 IonicContact OD2-NH1 3.47Å; D81-R256 IonicContact OD2-NH2 3.7Å; D81-R256 PolarHBondContact OD2-NH2 3.4Å
82G91Very high87.4Confident9 Ų944.7 Ų44.79%0.09327%0.273CS..SBendtrans69.312.3-170.300000115.2K284 W292 N300G82-K284 PolarHBondContact O-NZ 3.43Å; G82-W292 WeakPolarHBondContact O-CH2 3.36Å; G82-N300 WeakPolarHBondContact CA-OD1 3.45Å; G82-N300 PolarHBondContact O-OD1 3.21Å
83T90.2Very high89.6Confident85 Ų8539.7 Ų39.752%0.52123%0.231SC..  trans-87-22.3173550000113.1D81 R256 W292D81-T83 HydrophobicContact CB-CG2 4.23Å; D81-T83 PolarHBondContact O-N 3.28Å; T83-R256 PolarHBondContact OG1-NH2 2.98Å; T83-R256 VanDerWaalsContact OG1-NH2 3.16Å; T83-W292 VanDerWaalsContact O-CZ2 3.3Å; T83-W292 WeakPolarHBondContact O-CZ2 3.33Å
84E87.4Confident91.6Very high26 Ų2636.6 Ų36.612%0.12121%0.209CC..SBendtrans-94.7144.7-177.9-75.8140.4-138.200112.2L255 R256 W292E84-L255 VanDerWaalsContact OE2-CA 3.23Å; E84-L255 WeakPolarHBondContact OE2-CA 3.5Å; E84-R256 WeakPolarHBondContact OE1-CB 3.24Å; E84-R256 WeakPolarHBondContact OE1-CD 3.34Å; E84-R256 WeakPolarHBondContact OE1-CG 3.36Å; E84-R256 IonicContact OE1-CZ 3.87Å; E84-R256 IonicContact OE1-NE 2.84Å; E84-R256 PolarHBondContact OE1-NE 3Å; E84-R256 IonicContact OE1-NH2 3.6Å; E84-R256 PolarHBondContact OE2-N 3.36Å; E84-W292 VanDerWaalsContact C-CH2 3.44Å; E84-W292 WeakPolarHBondContact O-CH2 3.37Å; E84-W292 WeakPolarHBondContact O-CZ2 3.3Å
85S91.2Very high92.9Very high31 Ų3133.6 Ų33.622%0.21719%0.186CC..  trans-86.8131.5173.5-157.70000109.6D254 E296S85-D254 WeakPolarHBondContact O-CB 3.2Å; S85-E296 WeakPolarHBondContact OG-CG 3.25Å; S85-E296 PolarHBondContact OG-OE1 2.95Å
86L93.4Very high93.5Very high1 Ų129 Ų291%0.00516%0.164CC..  trans-85.6115.2175.8-61.8176.1000109.8E88 G89 Q92 A93 E296 L303L86-E88 VanDerWaalsContact C-N 3.26Å; L86-E88 PolarHBondContact O-N 2.81Å; L86-E88 VanDerWaalsContact O-N 3.15Å; L86-G89 WeakPolarHBondContact O-CA 3.28Å; L86-G89 PolarHBondContact O-N 3.13Å; L86-Q92 HydrophobicContact CD2-CG 4.43Å; L86-A93 HydrophobicContact CD1-CB 4.05Å; L86-E296 WeakPolarHBondContact O-CG 3.35Å; L86-L303 HydrophobicContact CD1-CD1 3.66Å; L86-L303 HydrophobicContact CD1-CG 4.2Å; L86-L303 HydrophobicContact CD2-CD1 4.06Å; L86-L303 HydrophobicContact CG-CD1 4.41Å
87A91.8Very high93.7Very high56 Ų5625.3 Ų25.346%0.46314%0.142SC..THydrogen-bonded Turntrans-54-39.9-174.200000113.6Q92 D254A87-Q92 VanDerWaalsContact N-OE1 3.11Å; A87-D254 WeakPolarHBondContact CB-OD2 3.08Å; A87-D254 PolarHBondContact N-OD2 3.44Å
88E93.3Very high93.8Very high76 Ų7625.5 Ų25.536%0.35514%0.143SC..THydrogen-bonded Turntrans-99.87.3177.1-72.9-67.9151.600112.8L86 V90 K91 Q92 V249L86-E88 VanDerWaalsContact C-N 3.26Å; L86-E88 PolarHBondContact O-N 2.81Å; L86-E88 VanDerWaalsContact O-N 3.15Å; E88-V90 PolarHBondContact O-N 3.41Å; E88-K91 HydrophobicContact CB-CB 4.42Å; E88-K91 PolarHBondContact O-N 2.9Å; E88-K91 VanDerWaalsContact O-N 3.15Å; E88-Q92 HydrophobicContact CB-CB 3.95Å; E88-Q92 VanDerWaalsContact N-OE1 3.1Å; E88-V249 HydrophobicContact CG-CB 4.35Å; E88-V249 HydrophobicContact CG-CG2 4.18Å
89G94.1Very high93.9Very high1 Ų124.3 Ų24.31%0.0114%0.138CC..THydrogen-bonded Turntrans54.7-118.2172.900000113.4L86 K91 Q92 A93 N295L86-G89 WeakPolarHBondContact O-CA 3.28Å; L86-G89 PolarHBondContact O-N 3.13Å; G89-K91 VanDerWaalsContact C-N 3.34Å; G89-K91 PolarHBondContact O-N 2.88Å; G89-Q92 PolarHBondContact O-N 2.69Å; G89-A93 PolarHBondContact O-N 3.15Å; G89-N295 VanDerWaalsContact CA-O 3.32Å; G89-N295 WeakPolarHBondContact CA-O 3.28Å
90V96Very high93.9Very high19 Ų1924.8 Ų24.812%0.11514%0.141CC..Hα-helixtrans-57.5-43179.8177.20000112.4E88 Q92 A93 L94 N295 A298 I302E88-V90 PolarHBondContact O-N 3.41Å; V90-Q92 VanDerWaalsContact C-N 3.32Å; V90-Q92 PolarHBondContact O-N 2.7Å; V90-A93 PolarHBondContact O-N 3.35Å; V90-L94 HydrophobicContact CG1-CD1 3.74Å; V90-L94 HydrophobicContact CG1-CG 4.07Å; V90-L94 VanDerWaalsContact O-CG 3.28Å; V90-L94 WeakPolarHBondContact O-CG 3.26Å; V90-L94 PolarHBondContact O-N 2.93Å; V90-N295 PolarHBondContact N-O 2.63Å; V90-A298 HydrophobicContact CG2-CB 3.41Å; V90-A298 VanDerWaalsContact CG2-CB 3.41Å; V90-I302 HydrophobicContact CB-CD1 4.41Å; V90-I302 HydrophobicContact CG1-CD1 3.82Å; V90-I302 HydrophobicContact CG2-CD1 4.26Å
91K95.7Very high93.9Very high108 Ų10826.1 Ų26.147%0.4716%0.155SC..Hα-helixtrans-63.4-42.6-176.2-67.6-176.4-178.91740111.4E88 G89 L94 N95 V244 I246E88-K91 HydrophobicContact CB-CB 4.42Å; E88-K91 PolarHBondContact O-N 2.9Å; E88-K91 VanDerWaalsContact O-N 3.15Å; G89-K91 VanDerWaalsContact C-N 3.34Å; G89-K91 PolarHBondContact O-N 2.88Å; K91-L94 PolarHBondContact O-N 2.93Å; K91-N95 WeakPolarHBondContact O-CB 3.29Å; K91-N95 PolarHBondContact O-N 3.05Å; K91-V244 HydrophobicContact CB-CG1 3.66Å; K91-V244 HydrophobicContact CD-CG1 4.2Å; K91-V244 HydrophobicContact CG-CG1 3.81Å; K91-I246 HydrophobicContact CB-CG2 3.8Å
92Q95.7Very high94Very high0 Ų027.1 Ų27.10%016%0.158CC..Hα-helixtrans-63.7-47175.1-170.3169.7-1.700111.1L86 A87 E88 G89 V90 L94 N95 L96 I246 P251 D254L86-Q92 HydrophobicContact CD2-CG 4.43Å; A87-Q92 VanDerWaalsContact N-OE1 3.11Å; E88-Q92 HydrophobicContact CB-CB 3.95Å; E88-Q92 VanDerWaalsContact N-OE1 3.1Å; G89-Q92 PolarHBondContact O-N 2.69Å; V90-Q92 VanDerWaalsContact C-N 3.32Å; V90-Q92 PolarHBondContact O-N 2.7Å; Q92-L94 PolarHBondContact O-N 3.16Å; Q92-N95 PolarHBondContact O-N 3.16Å; Q92-L96 HydrophobicContact CG-CD1 4.1Å; Q92-L96 HydrophobicContact CG-CG 4.43Å; Q92-L96 WeakPolarHBondContact O-CB 2.9Å; Q92-L96 VanDerWaalsContact O-CG 3.22Å; Q92-L96 WeakPolarHBondContact O-CG 3.19Å; Q92-L96 PolarHBondContact O-N 3.48Å; Q92-I246 HydrophobicContact CG-CD1 4.4Å; Q92-P251 PolarHBondContact NE2-O 2.91Å; Q92-D254 PolarHBondContact NE2-OD2 3.09Å; Q92-D254 PolarHBondContact OE1-OD2 3.11Å; Q92-D254 VanDerWaalsContact OE1-OD2 3.11Å
93A96.5Very high94.1Very high0 Ų032.7 Ų32.70%019%0.19CC..Hα-helixtrans-57.1-48.1176.700000111.9L86 G89 V90 N95 L96 I97 I302 L303L86-A93 HydrophobicContact CD1-CB 4.05Å; G89-A93 PolarHBondContact O-N 3.15Å; V90-A93 PolarHBondContact O-N 3.35Å; A93-N95 PolarHBondContact O-N 3.43Å; A93-L96 PolarHBondContact O-N 3.29Å; A93-I97 VanDerWaalsContact O-CG1 3.3Å; A93-I97 WeakPolarHBondContact O-CG1 3.39Å; A93-I97 WeakPolarHBondContact O-CG2 3.39Å; A93-I97 PolarHBondContact O-N 2.92Å; A93-I97 VanDerWaalsContact O-N 3.15Å; A93-I302 HydrophobicContact CB-CB 4.1Å; A93-I302 HydrophobicContact CB-CG2 3.99Å; A93-L303 HydrophobicContact CB-CD2 3.98Å; A93-L303 HydrophobicContact CB-CG 3.91Å
94L96.6Very high94.3Very high10 Ų1029.6 Ų29.65%0.05218%0.175CC..Hα-helixtrans-62-40.4178.4-68174.2000112.6V90 K91 Q92 K98 A99 V244 V362V90-L94 HydrophobicContact CG1-CD1 3.74Å; V90-L94 HydrophobicContact CG1-CG 4.07Å; V90-L94 VanDerWaalsContact O-CG 3.28Å; V90-L94 WeakPolarHBondContact O-CG 3.26Å; V90-L94 PolarHBondContact O-N 2.93Å; K91-L94 PolarHBondContact O-N 2.93Å; Q92-L94 PolarHBondContact O-N 3.16Å; L94-K98 PolarHBondContact O-N 3.45Å; L94-K98 VanDerWaalsContact O-N 3.16Å; L94-A99 HydrophobicContact CD2-CB 3.87Å; L94-A99 PolarHBondContact O-N 3.14Å; L94-V244 HydrophobicContact CB-CG2 4.25Å; L94-V244 HydrophobicContact CD1-CG2 4.11Å; L94-V362 HydrophobicContact CD2-CB 3.94Å; L94-V362 HydrophobicContact CD2-CG1 4.34Å; L94-V362 HydrophobicContact CD2-CG2 4.22Å
95N95.3Very high94.6Very high26 Ų2630.9 Ų30.914%0.13918%0.182CC..Hα-helixtrans-65.8-41.7174.6-175.6-72.8000111.7K91 Q92 A93 I97 K98 K205 V244 I246K91-N95 WeakPolarHBondContact O-CB 3.29Å; K91-N95 PolarHBondContact O-N 3.05Å; Q92-N95 PolarHBondContact O-N 3.16Å; A93-N95 PolarHBondContact O-N 3.43Å; N95-I97 VanDerWaalsContact C-N 3.27Å; N95-I97 PolarHBondContact O-N 3.4Å; N95-K98 PolarHBondContact O-N 3.17Å; N95-K205 PolarHBondContact O-NZ 3.01Å; N95-K205 PolarHBondContact OD1-NZ 3Å; N95-V244 PolarHBondContact ND2-O 3.34Å; N95-I246 HydrophobicContact CB-CD1 4.37Å; N95-I246 HydrophobicContact CB-CG2 4.49Å
96L95.2Very high94.6Very high1 Ų129.7 Ų29.71%0.00517%0.173CC..Hα-helixtrans-63.4-31.1-179.9-75.7175.2000113.5Q92 A93 P251 L252 L303 V352Q92-L96 HydrophobicContact CG-CD1 4.1Å; Q92-L96 HydrophobicContact CG-CG 4.43Å; Q92-L96 WeakPolarHBondContact O-CB 2.9Å; Q92-L96 VanDerWaalsContact O-CG 3.22Å; Q92-L96 WeakPolarHBondContact O-CG 3.19Å; Q92-L96 PolarHBondContact O-N 3.48Å; A93-L96 PolarHBondContact O-N 3.29Å; L96-P251 HydrophobicContact CD2-CB 3.77Å; L96-P251 HydrophobicContact CG-CB 4.48Å; L96-L252 HydrophobicContact CD2-CD2 3.36Å; L96-L303 HydrophobicContact CB-CD2 4.18Å; L96-L303 HydrophobicContact CD1-CD1 3.98Å; L96-L303 HydrophobicContact CD1-CD2 4.33Å; L96-V352 WeakPolarHBondContact O-CG1 3.25Å
97I95.1Very high94.5Very high0 Ų036.9 Ų36.90%021%0.207CC..THydrogen-bonded Turntrans-108.26.2-174.971.7-178.6000113.1A93 N95 A99 I302 L303 F306 L345 N360 V362A93-I97 VanDerWaalsContact O-CG1 3.3Å; A93-I97 WeakPolarHBondContact O-CG1 3.39Å; A93-I97 WeakPolarHBondContact O-CG2 3.39Å; A93-I97 PolarHBondContact O-N 2.92Å; A93-I97 VanDerWaalsContact O-N 3.15Å; N95-I97 VanDerWaalsContact C-N 3.27Å; N95-I97 PolarHBondContact O-N 3.4Å; I97-A99 HydrophobicContact CD1-CB 3.69Å; I97-A99 HydrophobicContact CG1-CB 3.52Å; I97-I302 HydrophobicContact CD1-CG2 3.53Å; I97-L303 HydrophobicContact CG2-CD2 3.45Å; I97-L303 VanDerWaalsContact CG2-CD2 3.45Å; I97-F306 HydrophobicContact CB-CD1 3.96Å; I97-F306 HydrophobicContact CB-CD2 3.84Å; I97-F306 HydrophobicContact CB-CE1 3.92Å; I97-F306 HydrophobicContact CB-CE2 3.86Å; I97-F306 HydrophobicContact CB-CG 3.89Å; I97-F306 HydrophobicContact CB-CZ 3.91Å; I97-F306 HydrophobicContact CD1-CB 4.49Å; I97-F306 HydrophobicContact CG2-CB 3.98Å; I97-F306 HydrophobicContact CG2-CD1 3.21Å; I97-F306 HydrophobicContact CG2-CD2 3.96Å; I97-F306 HydrophobicContact CG2-CE1 3.48Å; I97-F306 VanDerWaalsContact CG2-CE1 3.48Å; I97-F306 HydrophobicContact CG2-CE2 4.22Å; I97-F306 HydrophobicContact CG2-CG 3.46Å; I97-F306 VanDerWaalsContact CG2-CG 3.46Å; I97-F306 HydrophobicContact CG2-CZ 4.01Å; I97-L345 HydrophobicContact CD1-CD1 3.9Å; I97-N360 PolarHBondContact O-ND2 3.24Å; I97-V362 HydrophobicContact CD1-CG2 3.83Å
98K95.3Very high94.5Very high4 Ų438 Ų382%0.01720%0.201CC..THydrogen-bonded Turntrans50.757.9-174.8-167.9-178.8-176.6158.50111.6L94 N95 L243 K351 V352 G353 G354 D356 K359 N360L94-K98 PolarHBondContact O-N 3.45Å; L94-K98 VanDerWaalsContact O-N 3.16Å; N95-K98 PolarHBondContact O-N 3.17Å; K98-L243 HydrophobicContact CG-CD1 4Å; K98-L243 HydrophobicContact CG-CD2 4.07Å; K98-K351 VanDerWaalsContact CD-O 3.28Å; K98-K351 WeakPolarHBondContact CD-O 3.45Å; K98-V352 HydrophobicContact CB-CG1 4.22Å; K98-G353 PolarHBondContact NZ-O 3.08Å; K98-G354 WeakPolarHBondContact CE-O 3.44Å; K98-G354 PolarHBondContact NZ-O 3.33Å; K98-D356 WeakPolarHBondContact CE-O 3.21Å; K98-D356 PolarHBondContact NZ-O 2.92Å; K98-K359 HydrophobicContact CG-CG 4.32Å; K98-N360 PolarHBondContact O-N 3.12Å
99A95.9Very high94.3Very high1 Ų136.2 Ų36.21%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-120.8153.4-178.400000114.3L94 I97 N360 V362L94-A99 HydrophobicContact CD2-CB 3.87Å; L94-A99 PolarHBondContact O-N 3.14Å; I97-A99 HydrophobicContact CD1-CB 3.69Å; I97-A99 HydrophobicContact CG1-CB 3.52Å; A99-N360 CarbonylContact C-O 3.57Å; A99-N360 WeakPolarHBondContact CA-O 3.37Å; A99-N360 HydrophobicContact CB-CB 3.89Å; A99-N360 WeakPolarHBondContact CB-O 3.42Å; A99-V362 HydrophobicContact CB-CG2 3.78Å
100V95.2Very high94.1Very high14 Ų1439.3 Ų39.39%0.08521%0.212CC..EExtended strand (participates in β ladder)trans-91.5130.5162.8178.30000108.1E241 K359 N360 V362V100-E241 WeakPolarHBondContact CG1-OE2 3.22Å; V100-E241 HydrophobicContact CG2-CB 4.4Å; V100-E241 WeakPolarHBondContact CG2-OE2 3.47Å; V100-K359 HydrophobicContact CG2-CB 4.28Å; V100-K359 HydrophobicContact CG2-CD 3.89Å; V100-N360 PolarHBondContact N-O 3.43Å; V100-V362 PolarHBondContact O-N 3.49Å
101G94.7Very high93.9Very high28 Ų2844 Ų4429%0.28923%0.233SC..EExtended strand (participates in β ladder)trans-105.8130.9-179.600000112.3V362G101-V362 CarbonylContact C-O 3.38Å; G101-V362 WeakPolarHBondContact CA-O 3.4Å
102H94.5Very high93.5Very high74 Ų7445.1 Ų45.134%0.34324%0.238SC..EExtended strand (participates in β ladder)trans-115.7135.3170.6-55.7-72.1000109.8V362 W363 H364H102-V362 PolarHBondContact N-O 3.49Å; H102-W363 HydrophobicContact CB-CG 4.36Å; H102-W363 AromaticContact CD2-NE1 3.66Å; H102-W363 WeakPolarHBondContact O-CA 3.43Å; H102-H364 PolarHBondContact O-N 3.45Å
103V94.1Very high93Very high126 Ų12649.4 Ų49.476%0.76426%0.26SS*.EExtended strand (participates in β ladder)trans-84.1130.3176.6-177.10000109.4
104G93.5Very high92.5Very high20 Ų2054 Ų5421%0.20629%0.293CS..SBendtrans105.4180-176.700000112.9W363 H364G104-W363 WeakPolarHBondContact O-CB 3.46Å; G104-H364 PolarHBondContact N-O 3.43Å; G104-H364 PolarHBondContact O-N 3.03Å
105L92.7Very high92.1Very high53 Ų5359.4 Ų59.428%0.27732%0.321SS..  trans-89.5151.5176.1-65.8176.3000110.9T110 F342 V344 D365L105-T110 HydrophobicContact CB-CG2 4.08Å; L105-F342 HydrophobicContact CD2-CB 4.02Å; L105-V344 HydrophobicContact CD2-CG2 4.48Å; L105-D365 HydrophobicContact CD2-CB 4.2Å; L105-D365 HydrophobicContact CG-CB 4.12Å
106P93.2Very high91.7Very high5 Ų560.4 Ų60.43%0.03233%0.328CS..  trans-58.6141.1175.3-16.424.4000112.4K108 I109 T110 L229 V344 W363P106-K108 VanDerWaalsContact C-N 3.32Å; P106-K108 PolarHBondContact O-N 3.26Å; P106-I109 HydrophobicContact CB-CD1 4.41Å; P106-I109 HydrophobicContact CB-CG1 4.3Å; P106-I109 HydrophobicContact CG-CD1 3.88Å; P106-I109 HydrophobicContact CG-CG1 4.31Å; P106-I109 WeakPolarHBondContact O-CB 3.22Å; P106-I109 PolarHBondContact O-N 3.21Å; P106-T110 PolarHBondContact O-N 2.54Å; P106-T110 VanDerWaalsContact O-N 3.14Å; P106-L229 HydrophobicContact CB-CD1 4.28Å; P106-L229 HydrophobicContact CG-CD1 3.83Å; P106-V344 HydrophobicContact CG-CB 4.26Å; P106-V344 HydrophobicContact CG-CG1 4.28Å; P106-V344 HydrophobicContact CG-CG2 4.44Å; P106-W363 HydrophobicContact CB-CD2 4.37Å; P106-W363 HydrophobicContact CB-CG 4.37Å; P106-W363 HydrophobicContact CG-CB 3.93Å; P106-W363 HydrophobicContact CG-CD2 3.73Å; P106-W363 HydrophobicContact CG-CE3 4.11Å; P106-W363 HydrophobicContact CG-CG 3.65Å
107Q91.3Very high91.3Very high153 Ų15365.8 Ų65.872%0.71535%0.353SS*.Hα-helixtrans-56.9-42.6-178.7-69.5-179.8-2.300112.8I109 T110 E111Q107-I109 PolarHBondContact O-N 3.45Å; Q107-T110 VanDerWaalsContact CA-OG1 3.28Å; Q107-T110 WeakPolarHBondContact CA-OG1 3.4Å; Q107-T110 PolarHBondContact O-N 2.82Å; Q107-T110 PolarHBondContact O-OG1 3.23Å; Q107-E111 WeakPolarHBondContact O-CG 3.08Å; Q107-E111 PolarHBondContact O-N 2.84Å
108K90.3Very high90.8Very high80 Ų8070.7 Ų70.735%0.34838%0.375SS..Hα-helixtrans-56.7-24.1175.3-68.5-178.4-179.5167.20113.7P106 K112 L229 D231P106-K108 VanDerWaalsContact C-N 3.32Å; P106-K108 PolarHBondContact O-N 3.26Å; K108-K112 WeakPolarHBondContact O-CG 3.43Å; K108-L229 HydrophobicContact CB-CD2 4.34Å; K108-L229 VanDerWaalsContact CD-O 3.27Å; K108-L229 WeakPolarHBondContact CD-O 3.36Å; K108-L229 WeakPolarHBondContact CE-O 3.23Å; K108-L229 PolarHBondContact NZ-O 3.42Å; K108-D231 IonicContact NZ-OD1 2.8Å; K108-D231 PolarHBondContact NZ-OD1 3.22Å; K108-D231 VanDerWaalsContact NZ-OD1 3.1Å
109I90.5Very high90.2Very high38 Ų3876.9 Ų76.920%0.19540%0.399CS..Hα-helixtrans-87.6-43.9175.3-61.2-176.8000109.7P106 Q107 E111 K112 L113 L229 V344P106-I109 HydrophobicContact CB-CD1 4.41Å; P106-I109 HydrophobicContact CB-CG1 4.3Å; P106-I109 HydrophobicContact CG-CD1 3.88Å; P106-I109 HydrophobicContact CG-CG1 4.31Å; P106-I109 WeakPolarHBondContact O-CB 3.22Å; P106-I109 PolarHBondContact O-N 3.21Å; Q107-I109 PolarHBondContact O-N 3.45Å; I109-E111 VanDerWaalsContact C-N 3.31Å; I109-E111 PolarHBondContact O-N 3Å; I109-K112 PolarHBondContact O-N 2.88Å; I109-K112 VanDerWaalsContact O-N 3.13Å; I109-L113 WeakPolarHBondContact O-CG 3.34Å; I109-L113 PolarHBondContact O-N 3.48Å; I109-L113 VanDerWaalsContact O-N 3.14Å; I109-L229 HydrophobicContact CG1-CD2 4.34Å; I109-V344 HydrophobicContact CD1-CG1 4.44Å; I109-V344 HydrophobicContact CD1-CG2 4.07Å
110T89.4Confident89.7Confident65 Ų6582.3 Ų82.340%0.39943%0.428SS..Hα-helixtrans-63.7-35.4-179.953.20000113L105 P106 Q107 K112 L113L105-T110 HydrophobicContact CB-CG2 4.08Å; P106-T110 PolarHBondContact O-N 2.54Å; P106-T110 VanDerWaalsContact O-N 3.14Å; Q107-T110 VanDerWaalsContact CA-OG1 3.28Å; Q107-T110 WeakPolarHBondContact CA-OG1 3.4Å; Q107-T110 PolarHBondContact O-N 2.82Å; Q107-T110 PolarHBondContact O-OG1 3.23Å; T110-K112 VanDerWaalsContact C-N 3.32Å; T110-K112 PolarHBondContact O-N 3.41Å; T110-L113 WeakPolarHBondContact O-CB 3.48Å; T110-L113 PolarHBondContact O-N 3.23Å
111E90.8Very high89.2Confident117 Ų11784.2 Ų84.255%0.54744%0.438SS..Hα-helixtrans-63.5-38.3173.4-70.9167-175.700111.8Q107 I109 L113 S114Q107-E111 WeakPolarHBondContact O-CG 3.08Å; Q107-E111 PolarHBondContact O-N 2.84Å; I109-E111 VanDerWaalsContact C-N 3.31Å; I109-E111 PolarHBondContact O-N 3Å; E111-L113 VanDerWaalsContact C-N 3.26Å; E111-L113 PolarHBondContact O-N 2.89Å; E111-S114 PolarHBondContact O-N 3.11Å; E111-S114 PolarHBondContact O-OG 2.81Å
112K87.8Confident88.8Confident133 Ų13388.9 Ų88.958%0.57846%0.456SS*.Hα-helixtrans-72-20.9176.2-69.3-179.4-178.6-177.50113.1K108 I109 T110 S114 D115K108-K112 WeakPolarHBondContact O-CG 3.43Å; I109-K112 PolarHBondContact O-N 2.88Å; I109-K112 VanDerWaalsContact O-N 3.13Å; T110-K112 VanDerWaalsContact C-N 3.32Å; T110-K112 PolarHBondContact O-N 3.41Å; K112-S114 VanDerWaalsContact C-N 3.29Å; K112-D115 PolarHBondContact O-N 3.4Å
113L86.3Confident88.6Confident89 Ų8988.1 Ų88.147%0.46646%0.459SS..Hα-helixtrans-68.5-30.7177.1-69174.4000111.6I109 T110 E111 D115 V116I109-L113 WeakPolarHBondContact O-CG 3.34Å; I109-L113 PolarHBondContact O-N 3.48Å; I109-L113 VanDerWaalsContact O-N 3.14Å; T110-L113 WeakPolarHBondContact O-CB 3.48Å; T110-L113 PolarHBondContact O-N 3.23Å; E111-L113 VanDerWaalsContact C-N 3.26Å; E111-L113 PolarHBondContact O-N 2.89Å; L113-D115 VanDerWaalsContact C-N 3.25Å; L113-D115 PolarHBondContact O-N 2.77Å; L113-V116 PolarHBondContact O-N 3.47Å
114S85.9Confident88.3Confident97 Ų9782.9 Ų82.968%0.67843%0.429SS*.Hα-helixtrans-70.3-21176.444.90000113.8E111 K112 V116E111-S114 PolarHBondContact O-N 3.11Å; E111-S114 PolarHBondContact O-OG 2.81Å; K112-S114 VanDerWaalsContact C-N 3.29Å; S114-V116 VanDerWaalsContact C-N 3.29Å
115D87Confident88.1Confident123 Ų12384 Ų8466%0.65843%0.43SS*.THydrogen-bonded Turntrans-79.2-15.1178.5-59.8-24.6000112.6K112 L113 Q117K112-D115 PolarHBondContact O-N 3.4Å; L113-D115 VanDerWaalsContact C-N 3.25Å; L113-D115 PolarHBondContact O-N 2.77Å; D115-Q117 PolarHBondContact O-N 2.93Å
116V87.3Confident88Confident47 Ų4784.2 Ų84.229%0.28543%0.433SS..  trans-83.6118.1-175.6179.70000109.7L113 S114 F118 N185L113-V116 PolarHBondContact O-N 3.47Å; S114-V116 VanDerWaalsContact C-N 3.29Å; V116-F118 HydrophobicContact CB-CE2 4.02Å; V116-F118 HydrophobicContact CB-CZ 3.92Å; V116-F118 HydrophobicContact CG1-CD1 4.24Å; V116-F118 HydrophobicContact CG1-CD2 4.44Å; V116-F118 HydrophobicContact CG1-CE1 3.68Å; V116-F118 HydrophobicContact CG1-CE2 3.89Å; V116-F118 HydrophobicContact CG1-CZ 3.48Å; V116-F118 VanDerWaalsContact CG1-CZ 3.48Å; V116-F118 WeakPolarHBondContact O-CD2 3.36Å; V116-F118 WeakPolarHBondContact O-CE2 3.23Å; V116-N185 WeakPolarHBondContact CG1-ND2 3.41Å
117Q86.8Confident88Confident114 Ų11489.7 Ų89.753%0.53346%0.457SS..  trans-81.9132.2171.6-59.9-1745.900110.1D115 Y119 N185D115-Q117 PolarHBondContact O-N 2.93Å; Q117-Y119 PolarHBondContact OE1-OH 3.27Å; Q117-N185 PolarHBondContact N-OD1 2.75Å; Q117-N185 PolarHBondContact O-ND2 3.09Å
118F84.5Confident88Confident103 Ų10383 Ų8345%0.45243%0.425SS..  trans-113.3129.6177.5-59.6-81.5000109.9V116 L121 L181V116-F118 HydrophobicContact CB-CE2 4.02Å; V116-F118 HydrophobicContact CB-CZ 3.92Å; V116-F118 HydrophobicContact CG1-CD1 4.24Å; V116-F118 HydrophobicContact CG1-CD2 4.44Å; V116-F118 HydrophobicContact CG1-CE1 3.68Å; V116-F118 HydrophobicContact CG1-CE2 3.89Å; V116-F118 HydrophobicContact CG1-CZ 3.48Å; V116-F118 VanDerWaalsContact CG1-CZ 3.48Å; V116-F118 WeakPolarHBondContact O-CD2 3.36Å; V116-F118 WeakPolarHBondContact O-CE2 3.23Å; F118-L121 HydrophobicContact CB-CB 4.43Å; F118-L121 HydrophobicContact CD1-CD1 4.05Å; F118-L121 HydrophobicContact CD1-CD2 4.46Å; F118-L181 HydrophobicContact CD1-CD1 4.04Å; F118-L181 HydrophobicContact CD1-CD2 4.26Å; F118-L181 HydrophobicContact CE1-CD1 4.03Å
119Y83Confident88Confident134 Ų13479.7 Ų79.753%0.52541%0.411SS..SBendtrans-110.4122.9171.5-57.5-77.4000109.4Q117 L121Q117-Y119 PolarHBondContact OE1-OH 3.27Å; Y119-L121 VanDerWaalsContact C-N 3.32Å; Y119-L121 PolarHBondContact O-N 3.13Å
120D84.6Confident88.1Confident115 Ų11578.3 Ų78.362%0.61540%0.404SS*.SBendtrans48.448.3173-165.923000114.4D122 S123 A124D120-D122 PolarHBondContact O-N 3.46Å; D120-S123 PolarHBondContact O-OG 3.31Å; D120-S123 VanDerWaalsContact OD1-CB 3.24Å; D120-S123 WeakPolarHBondContact OD1-CB 3.46Å; D120-S123 PolarHBondContact OD1-OG 3.09Å; D120-S123 VanDerWaalsContact OD1-OG 3.12Å; D120-S123 WeakPolarHBondContact OD2-CB 3.42Å; D120-S123 PolarHBondContact OD2-OG 3.06Å; D120-A124 PolarHBondContact O-N 2.78Å
121L85.2Confident88.2Confident55 Ų5578.6 Ų78.629%0.28840%0.401SS..Hα-helixtrans-61.9-45.2-176.4-172.973000111.3F118 Y119 S123 A124 L125F118-L121 HydrophobicContact CB-CB 4.43Å; F118-L121 HydrophobicContact CD1-CD1 4.05Å; F118-L121 HydrophobicContact CD1-CD2 4.46Å; Y119-L121 VanDerWaalsContact C-N 3.32Å; Y119-L121 PolarHBondContact O-N 3.13Å; L121-S123 PolarHBondContact O-N 3.44Å; L121-A124 PolarHBondContact O-N 2.94Å; L121-L125 HydrophobicContact CD1-CD1 4.38Å; L121-L125 HydrophobicContact CD1-CD2 4.45Å; L121-L125 HydrophobicContact CD1-CG 4.25Å; L121-L125 HydrophobicContact CD2-CD1 4.03Å; L121-L125 HydrophobicContact CG-CD1 3.75Å; L121-L125 HydrophobicContact CG-CG 3.97Å; L121-L125 WeakPolarHBondContact O-CB 3.26Å; L121-L125 VanDerWaalsContact O-CG 3.24Å; L121-L125 WeakPolarHBondContact O-CG 3.37Å; L121-L125 PolarHBondContact O-N 3.3Å
122D86.9Confident88.2Confident125 Ų12573 Ų7367%0.66838%0.375SS*.Hα-helixtrans-63.7-38.9-172.3-69.4-19.2000113D120 T126D120-D122 PolarHBondContact O-N 3.46Å; D122-T126 VanDerWaalsContact O-CB 3.26Å; D122-T126 WeakPolarHBondContact O-CB 3.49Å; D122-T126 PolarHBondContact O-N 2.91Å; D122-T126 PolarHBondContact O-OG1 3.18Å
123S89Confident88.3Confident58 Ų5868.4 Ų68.441%0.40636%0.356SS..Hα-helixtrans-67.9-42.3177.6890000110.8D120 L121 T126 K127D120-S123 PolarHBondContact O-OG 3.31Å; D120-S123 VanDerWaalsContact OD1-CB 3.24Å; D120-S123 WeakPolarHBondContact OD1-CB 3.46Å; D120-S123 PolarHBondContact OD1-OG 3.09Å; D120-S123 VanDerWaalsContact OD1-OG 3.12Å; D120-S123 WeakPolarHBondContact OD2-CB 3.42Å; D120-S123 PolarHBondContact OD2-OG 3.06Å; L121-S123 PolarHBondContact O-N 3.44Å; S123-T126 PolarHBondContact O-N 2.93Å; S123-K127 WeakPolarHBondContact O-CB 3.47Å; S123-K127 PolarHBondContact O-N 3.03Å
124A89.4Confident88.3Confident16 Ų1668.4 Ų68.413%0.13235%0.353CS..Hα-helixtrans-64.3-47.6177.800000111.1D120 L121 T126 K127 F128D120-A124 PolarHBondContact O-N 2.78Å; L121-A124 PolarHBondContact O-N 2.94Å; A124-T126 PolarHBondContact O-N 2.99Å; A124-K127 WeakPolarHBondContact O-CB 3.45Å; A124-K127 PolarHBondContact O-N 2.94Å; A124-F128 HydrophobicContact CB-CE2 4.11Å; A124-F128 HydrophobicContact CB-CZ 4.1Å; A124-F128 WeakPolarHBondContact O-CD1 3.24Å; A124-F128 VanDerWaalsContact O-CD2 3.23Å; A124-F128 WeakPolarHBondContact O-CD2 2.99Å; A124-F128 WeakPolarHBondContact O-CG 3.39Å; A124-F128 PolarHBondContact O-N 3.47Å
125L89.1Confident88.5Confident45 Ų4570.9 Ų70.924%0.23635%0.347CS..Hα-helixtrans-59.9-46.6176.5-68.2-177.5000111.2L121 K127 F128 I129 F174L121-L125 HydrophobicContact CD1-CD1 4.38Å; L121-L125 HydrophobicContact CD1-CD2 4.45Å; L121-L125 HydrophobicContact CD1-CG 4.25Å; L121-L125 HydrophobicContact CD2-CD1 4.03Å; L121-L125 HydrophobicContact CG-CD1 3.75Å; L121-L125 HydrophobicContact CG-CG 3.97Å; L121-L125 WeakPolarHBondContact O-CB 3.26Å; L121-L125 VanDerWaalsContact O-CG 3.24Å; L121-L125 WeakPolarHBondContact O-CG 3.37Å; L121-L125 PolarHBondContact O-N 3.3Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 3.32Å; L125-F128 HydrophobicContact CD2-CD2 4.48Å; L125-F128 PolarHBondContact O-N 2.83Å; L125-F128 VanDerWaalsContact O-N 3.13Å; L125-I129 WeakPolarHBondContact O-CD1 3.33Å; L125-I129 VanDerWaalsContact O-CG1 3.25Å; L125-I129 WeakPolarHBondContact O-CG1 3.41Å; L125-I129 PolarHBondContact O-N 3.01Å; L125-F174 HydrophobicContact CD2-CD1 4.07Å; L125-F174 HydrophobicContact CD2-CE1 3.39Å; L125-F174 HydrophobicContact CD2-CZ 4.28Å
126T90.5Very high88.5Confident56 Ų5666 Ų6634%0.34432%0.323SS..Hα-helixtrans-57.8-45.7176.7-65.10000111.1D122 S123 A124 F128 I129 M130D122-T126 VanDerWaalsContact O-CB 3.26Å; D122-T126 WeakPolarHBondContact O-CB 3.49Å; D122-T126 PolarHBondContact O-N 2.91Å; D122-T126 PolarHBondContact O-OG1 3.18Å; S123-T126 PolarHBondContact O-N 2.93Å; A124-T126 PolarHBondContact O-N 2.99Å; T126-F128 VanDerWaalsContact C-N 3.33Å; T126-F128 PolarHBondContact O-N 2.92Å; T126-I129 PolarHBondContact O-N 3.39Å; T126-M130 HydrophobicContact CG2-CG 4.36Å; T126-M130 WeakPolarHBondContact O-CB 3.41Å; T126-M130 WeakPolarHBondContact O-CG 3.41Å; T126-M130 PolarHBondContact O-N 3.33Å
127K91.6Very high88.6Confident121 Ų12169.5 Ų69.553%0.52635%0.349SS..Hα-helixtrans-59.3-42.9176-170.9-178.7-179170.10111.9S123 A124 L125 M130 Q131 W135S123-K127 WeakPolarHBondContact O-CB 3.47Å; S123-K127 PolarHBondContact O-N 3.03Å; A124-K127 WeakPolarHBondContact O-CB 3.45Å; A124-K127 PolarHBondContact O-N 2.94Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 3.32Å; K127-M130 PolarHBondContact O-N 3.39Å; K127-Q131 WeakPolarHBondContact O-CB 3.48Å; K127-Q131 PolarHBondContact O-N 3.09Å; K127-W135 HydrophobicContact CG-CH2 4.02Å; K127-W135 HydrophobicContact CG-CZ3 3.66Å
128F92.4Very high88.7Confident13 Ų1365.8 Ų65.86%0.05734%0.335CS..Hα-helixtrans-66.3-42.5179.3-57.1-26.3000112.3A124 L125 T126 Q131 A132 N173 F174 H177A124-F128 HydrophobicContact CB-CE2 4.11Å; A124-F128 HydrophobicContact CB-CZ 4.1Å; A124-F128 WeakPolarHBondContact O-CD1 3.24Å; A124-F128 VanDerWaalsContact O-CD2 3.23Å; A124-F128 WeakPolarHBondContact O-CD2 2.99Å; A124-F128 WeakPolarHBondContact O-CG 3.39Å; A124-F128 PolarHBondContact O-N 3.47Å; L125-F128 HydrophobicContact CD2-CD2 4.48Å; L125-F128 PolarHBondContact O-N 2.83Å; L125-F128 VanDerWaalsContact O-N 3.13Å; T126-F128 VanDerWaalsContact C-N 3.33Å; T126-F128 PolarHBondContact O-N 2.92Å; F128-Q131 PolarHBondContact O-N 3.02Å; F128-A132 WeakPolarHBondContact O-CB 3.48Å; F128-A132 PolarHBondContact O-N 2.92Å; F128-N173 HydrophobicContact CB-CB 3.95Å; F128-N173 HydrophobicContact CD1-CB 3.59Å; F128-N173 HydrophobicContact CD2-CB 4.11Å; F128-N173 HydrophobicContact CE1-CB 4.09Å; F128-N173 HydrophobicContact CG-CB 3.61Å; F128-F174 HydrophobicContact CB-CE1 4.33Å; F128-F174 AromaticContact CD2-CD1 3.79Å; F128-F174 HydrophobicContact CD2-CD1 3.79Å; F128-F174 AromaticContact CD2-CE1 3.77Å; F128-F174 HydrophobicContact CD2-CE1 3.77Å; F128-F174 HydrophobicContact CE2-CD1 4.36Å; F128-H177 HydrophobicContact CE2-CB 3.74Å; F128-H177 AromaticContact CE2-CG 3.89Å; F128-H177 HydrophobicContact CZ-CB 3.87Å
129I91Very high88.9Confident9 Ų966.9 Ų66.95%0.04634%0.344CS..Hα-helixtrans-63.1-43.6176.5-62.4159.2000110.4L125 T126 A132 N133 I370 C372L125-I129 WeakPolarHBondContact O-CD1 3.33Å; L125-I129 VanDerWaalsContact O-CG1 3.25Å; L125-I129 WeakPolarHBondContact O-CG1 3.41Å; L125-I129 PolarHBondContact O-N 3.01Å; T126-I129 PolarHBondContact O-N 3.39Å; I129-A132 PolarHBondContact O-N 3.14Å; I129-N133 WeakPolarHBondContact O-CB 3.48Å; I129-N133 PolarHBondContact O-N 2.71Å; I129-N133 PolarHBondContact O-ND2 2.95Å; I129-N133 VanDerWaalsContact O-ND2 3.17Å; I129-I370 HydrophobicContact CD1-CG2 3.37Å; I129-I370 HydrophobicContact CG1-CG2 3.73Å; I129-C372 HydrophobicContact CB-CB 4.27Å; I129-C372 HydrophobicContact CD1-CB 3.91Å; I129-C372 HydrophobicContact CG2-CB 3.79Å
130M91.5Very high89.2Confident10 Ų1065 Ų655%0.04934%0.343CS..Hα-helixtrans-64.7-40.9177.5-71-66-74.300111.7T126 K127 A132 K134 W135 Q376 C377T126-M130 HydrophobicContact CG2-CG 4.36Å; T126-M130 WeakPolarHBondContact O-CB 3.41Å; T126-M130 WeakPolarHBondContact O-CG 3.41Å; T126-M130 PolarHBondContact O-N 3.33Å; K127-M130 PolarHBondContact O-N 3.39Å; M130-A132 PolarHBondContact O-N 3.32Å; M130-K134 HydrophobicContact CE-CB 4.48Å; M130-K134 HydrophobicContact CE-CD 3.79Å; M130-K134 WeakPolarHBondContact O-CA 3.49Å; M130-K134 WeakPolarHBondContact O-CB 3.42Å; M130-K134 PolarHBondContact O-N 3.06Å; M130-K134 HydrophobicContact SD-CD 4Å; M130-W135 HydrophobicContact CB-CD2 3.93Å; M130-W135 HydrophobicContact CB-CE3 4.09Å; M130-W135 HydrophobicContact CB-CH2 3.82Å; M130-W135 HydrophobicContact CB-CZ2 3.65Å; M130-W135 HydrophobicContact CB-CZ3 4.03Å; M130-W135 HydrophobicContact CE-CZ2 4.26Å; M130-W135 HydrophobicContact CG-CZ2 4.24Å; M130-W135 PolarHBondContact O-N 3.35Å; M130-Q376 HydrophobicContact CE-CB 4.39Å; M130-C377 PolarHBondContact SD-SG 3.2Å
131Q91.8Very high89.5Confident70 Ų7065.1 Ų65.133%0.32734%0.338SS..Iπ-helixtrans-63-42.2176.5-169.1179.8-0.400112.2K127 F128 W135 S136 I169 N173K127-Q131 WeakPolarHBondContact O-CB 3.48Å; K127-Q131 PolarHBondContact O-N 3.09Å; F128-Q131 PolarHBondContact O-N 3.02Å; Q131-W135 HydrophobicContact CB-CE3 3.93Å; Q131-W135 HydrophobicContact CB-CZ3 4.5Å; Q131-S136 PolarHBondContact O-N 3.47Å; Q131-I169 HydrophobicContact CB-CG2 4.43Å; Q131-I169 HydrophobicContact CG-CG2 4.07Å; Q131-N173 PolarHBondContact OE1-ND2 2.82Å; Q131-N173 PolarHBondContact OE1-OD1 2.78Å
132A91.3Very high89.8Confident0 Ų064.3 Ų64.30%033%0.334CS..Iπ-helixtrans-71.2-41.5179.500000112.8F128 I129 M130 I169 L170F128-A132 WeakPolarHBondContact O-CB 3.48Å; F128-A132 PolarHBondContact O-N 2.92Å; I129-A132 PolarHBondContact O-N 3.14Å; M130-A132 PolarHBondContact O-N 3.32Å; A132-I169 HydrophobicContact CB-CB 4.09Å; A132-I169 HydrophobicContact CB-CG2 3.91Å; A132-L170 HydrophobicContact CB-CD1 4.46Å; A132-L170 HydrophobicContact CB-CD2 3.66Å; A132-L170 HydrophobicContact CB-CG 3.63Å
133N88.6Confident89.9Confident36 Ų3661 Ų6119%0.19332%0.319CS..Iπ-helixtrans-97.6-24.6-170-74.3-68.7000114.9I129 K166 N338I129-N133 WeakPolarHBondContact O-CB 3.48Å; I129-N133 PolarHBondContact O-N 2.71Å; I129-N133 PolarHBondContact O-ND2 2.95Å; I129-N133 VanDerWaalsContact O-ND2 3.17Å; N133-K166 WeakPolarHBondContact OD1-CD 3.31Å; N133-N338 PolarHBondContact ND2-OD1 2.94Å
134K87.1Confident89.7Confident89 Ų8960.9 Ų60.939%0.38732%0.316SS..Iπ-helixtrans-129.4-47.5-171.5-68.9-163.8173.2-132.80115.1M130 S136 Q376M130-K134 HydrophobicContact CE-CB 4.48Å; M130-K134 HydrophobicContact CE-CD 3.79Å; M130-K134 WeakPolarHBondContact O-CA 3.49Å; M130-K134 WeakPolarHBondContact O-CB 3.42Å; M130-K134 PolarHBondContact O-N 3.06Å; M130-K134 HydrophobicContact SD-CD 4Å; K134-S136 VanDerWaalsContact C-N 3.33Å; K134-Q376 WeakPolarHBondContact CE-O 3.49Å; K134-Q376 PolarHBondContact NZ-O 3.47Å
135W89.3Confident89.5Confident149 Ų14965.6 Ų65.656%0.56433%0.33SS*.Iπ-helixtrans-82.9-11.3-172.7-52.9-32000113.8K127 M130 Q131 S137K127-W135 HydrophobicContact CG-CH2 4.02Å; K127-W135 HydrophobicContact CG-CZ3 3.66Å; M130-W135 HydrophobicContact CB-CD2 3.93Å; M130-W135 HydrophobicContact CB-CE3 4.09Å; M130-W135 HydrophobicContact CB-CH2 3.82Å; M130-W135 HydrophobicContact CB-CZ2 3.65Å; M130-W135 HydrophobicContact CB-CZ3 4.03Å; M130-W135 HydrophobicContact CE-CZ2 4.26Å; M130-W135 HydrophobicContact CG-CZ2 4.24Å; M130-W135 PolarHBondContact O-N 3.35Å; Q131-W135 HydrophobicContact CB-CE3 3.93Å; Q131-W135 HydrophobicContact CB-CZ3 4.5Å; W135-S137 PolarHBondContact O-N 3.03Å
136S88.4Confident89.1Confident22 Ų2269.7 Ų69.715%0.15434%0.342CS..  trans-67121.1172.11800000109.9Q131 K134 T138Q131-S136 PolarHBondContact O-N 3.47Å; K134-S136 VanDerWaalsContact C-N 3.33Å; S136-T138 PolarHBondContact O-N 3.03Å; S136-T138 PolarHBondContact OG-OG1 2.84Å; S136-T138 VanDerWaalsContact OG-OG1 3.1Å
137S88.2Confident88.5Confident119 Ų11968.9 Ų68.983%0.83234%0.336SS*.  trans-74.54.7176.754.60000113.9W135 L139W135-S137 PolarHBondContact O-N 3.03Å; S137-L139 PolarHBondContact O-N 2.85Å; S137-L139 VanDerWaalsContact O-N 3.16Å
138T88.9Confident87.7Confident37 Ų3768.3 Ų68.323%0.22735%0.345CS..  trans-66.5115.4-179.4-54.20000110.2S136 L140 G160 I161 R165S136-T138 PolarHBondContact O-N 3.03Å; S136-T138 PolarHBondContact OG-OG1 2.84Å; S136-T138 VanDerWaalsContact OG-OG1 3.1Å; T138-L140 HydrophobicContact CG2-CD1 3.94Å; T138-L140 HydrophobicContact CG2-CG 3.94Å; T138-G160 CarbonylContact O-C 3.54Å; T138-I161 WeakPolarHBondContact O-CG1 3.3Å; T138-I161 PolarHBondContact O-N 3.31Å; T138-R165 HydrophobicContact CG2-CG 4.45Å
139L89.1Confident87Confident125 Ų12571.9 Ų71.965%0.65437%0.368SS*.  trans-118.789.2-179.2-167.781.5000109.8S137S137-L139 PolarHBondContact O-N 2.85Å; S137-L139 VanDerWaalsContact O-N 3.16Å
140L90.3Very high86.5Confident95 Ų9571.9 Ų71.950%0.49737%0.368SS..EExtended strand (participates in β ladder)trans-114.5152.9178.4-66.2175.9000111T138 L142 Y159 G160 P162T138-L140 HydrophobicContact CG2-CD1 3.94Å; T138-L140 HydrophobicContact CG2-CG 3.94Å; L140-L142 PolarHBondContact O-N 3.42Å; L140-Y159 CarbonylContact O-C 3.58Å; L140-Y159 VanDerWaalsContact O-CA 3.3Å; L140-Y159 WeakPolarHBondContact O-CA 3.15Å; L140-G160 PolarHBondContact N-O 2.8Å; L140-G160 PolarHBondContact O-N 3.15Å; L140-G160 VanDerWaalsContact O-O 3.1Å; L140-P162 HydrophobicContact CD1-CG 3.93Å
141K90.6Very high85.9Confident118 Ų11879.9 Ų79.951%0.51340%0.398SS..EExtended strand (participates in β ladder)trans-66.6105.9176.4-168.1175.3-174.1171.80109.5R157 Y159K141-R157 HydrophobicContact CG-CB 4.31Å; K141-Y159 HydrophobicContact CB-CD1 4.13Å; K141-Y159 HydrophobicContact CB-CE1 3.74Å; K141-Y159 HydrophobicContact CG-CE1 4.19Å
142L90.5Very high85.4Confident38 Ų3880 Ų8020%0.19940%0.395CS..PPolyproline II helixtrans-68155-178.6-60.7179.4000110.8L140 R157 Y158 P162L140-L142 PolarHBondContact O-N 3.42Å; L142-R157 PolarHBondContact O-NE 3.33Å; L142-R157 PolarHBondContact O-NH2 3.41Å; L142-Y158 WeakPolarHBondContact CB-O 3.27Å; L142-Y158 PolarHBondContact N-O 2.74Å; L142-P162 HydrophobicContact CD2-CB 4.48Å
143P88.3Confident85Confident56 Ų5681.7 Ų81.736%0.36440%0.403SS..PPolyproline II helixtrans-54159176.9-29.740.1000113.3R145 Y288P143-R145 PolarHBondContact O-N 3.31Å; P143-R145 VanDerWaalsContact O-N 3.08Å; P143-Y288 HydrophobicContact CB-CD2 3.4Å; P143-Y288 HydrophobicContact CB-CE2 3.97Å; P143-Y288 HydrophobicContact CB-CG 3.96Å; P143-Y288 HydrophobicContact CG-CD2 3.42Å; P143-Y288 VanDerWaalsContact CG-CD2 3.42Å; P143-Y288 HydrophobicContact CG-CE2 3.53Å; P143-Y288 HydrophobicContact CG-CG 4.43Å
144V86.6Confident84.8Confident55 Ų5587 Ų8733%0.33343%0.432SS..PPolyproline II helixtrans-61.1118.3177.5-1720000108.1R146V144-R146 HydrophobicContact CG1-CG 4.47Å; V144-R146 PolarHBondContact O-N 2.97Å
145R84.3Confident84.7Confident115 Ų11584.3 Ų84.343%0.43442%0.419SS..PPolyproline II helixtrans-61.8126.7169.3178.9177.9175.9173.6-3.2108.5P143 W155P143-R145 PolarHBondContact O-N 3.31Å; P143-R145 VanDerWaalsContact O-N 3.08Å; R145-W155 HydrophobicContact CB-CB 3.99Å; R145-W155 HydrophobicContact CB-CG 4.11Å; R145-W155 HydrophobicContact CG-CD2 4.43Å; R145-W155 HydrophobicContact CG-CG 4.11Å
146R80.3Confident84.5Confident130 Ų13079.8 Ų79.849%0.49141%0.409SS..  trans-122.9131.3170.2-66.9-174.1-179.5-172.61.4108.2V144 R289V144-R146 HydrophobicContact CG1-CG 4.47Å; V144-R146 PolarHBondContact O-N 2.97Å; R146-R289 VanDerWaalsContact NH1-CD 3.35Å; R146-R289 VanDerWaalsContact NH1-NE 3.18Å
147D78.9Confident84.5Confident39 Ų3983.5 Ų83.521%0.20942%0.42CS..  trans-108.5123.2174.4-164.3-45.8000107.9T149 V150 W151D147-T149 VanDerWaalsContact CG-OG1 3.31Å; D147-T149 PolarHBondContact O-N 3.38Å; D147-T149 WeakPolarHBondContact OD1-CB 3.24Å; D147-T149 PolarHBondContact OD1-N 3.26Å; D147-T149 PolarHBondContact OD1-OG1 3.04Å; D147-V150 HydrophobicContact CB-CB 4.31Å; D147-V150 CarbonylContact O-C 3.58Å; D147-V150 PolarHBondContact O-N 2.98Å; D147-W151 VanDerWaalsContact O-CA 3.27Å; D147-W151 WeakPolarHBondContact O-CA 3.09Å; D147-W151 PolarHBondContact O-N 2.81Å; D147-W151 VanDerWaalsContact O-N 3.12Å
148P74.4Confident84.4Confident109 Ų10982.2 Ų82.271%0.70840%0.397SS*.SBendtrans-57.2-29.8175.8-23.933.5000112.9
149T77.7Confident84.5Confident88 Ų8887.2 Ų87.254%0.5441%0.413SS..SBendtrans-81.1-37-179.366.50000112.5D147 W152D147-T149 VanDerWaalsContact CG-OG1 3.31Å; D147-T149 PolarHBondContact O-N 3.38Å; D147-T149 WeakPolarHBondContact OD1-CB 3.24Å; D147-T149 PolarHBondContact OD1-N 3.26Å; D147-T149 PolarHBondContact OD1-OG1 3.04Å; T149-W152 VanDerWaalsContact O-CH2 3.23Å; T149-W152 WeakPolarHBondContact O-CH2 3.45Å; T149-W152 WeakPolarHBondContact O-CZ3 3.39Å
150V80.9Confident84.5Confident10 Ų1082 Ų826%0.06139%0.389CS..SBendtrans-114.550.6-179.4-1580000110.8F19 D147 W152 F153F19-V150 HydrophobicContact CE1-CG1 4.24Å; F19-V150 HydrophobicContact CE2-CG1 4.49Å; F19-V150 HydrophobicContact CZ-CG1 4.22Å; D147-V150 HydrophobicContact CB-CB 4.31Å; D147-V150 CarbonylContact O-C 3.58Å; D147-V150 PolarHBondContact O-N 2.98Å; V150-W152 VanDerWaalsContact C-N 3.3Å; V150-W152 HydrophobicContact CB-CZ2 4.48Å; V150-W152 HydrophobicContact CG1-CH2 4.19Å; V150-W152 HydrophobicContact CG1-CZ2 3.69Å; V150-W152 PolarHBondContact O-N 2.71Å; V150-F153 HydrophobicContact CB-CB 4.45Å; V150-F153 HydrophobicContact CG1-CB 3.51Å; V150-F153 HydrophobicContact CG1-CG 4.36Å; V150-F153 PolarHBondContact O-N 3.15Å; V150-F153 VanDerWaalsContact O-N 3.16Å
151W78.7Confident84.6Confident178 Ų17878.3 Ų78.367%0.67437%0.37SS*.THydrogen-bonded Turntrans-67.2-23.9-169.361.3-96.7000114.7D147 F153D147-W151 VanDerWaalsContact O-CA 3.27Å; D147-W151 WeakPolarHBondContact O-CA 3.09Å; D147-W151 PolarHBondContact O-N 2.81Å; D147-W151 VanDerWaalsContact O-N 3.12Å; W151-F153 VanDerWaalsContact C-N 3.3Å
152W80.9Confident84.6Confident71 Ų7174.1 Ų74.127%0.26936%0.355SS..THydrogen-bonded Turntrans-82.4-7.2177.962.880.9000113F11 T149 V150F11-W152 HydrophobicContact CB-CH2 3.05Å; F11-W152 HydrophobicContact CB-CZ2 3.81Å; F11-W152 HydrophobicContact CB-CZ3 3.64Å; F11-W152 AromaticContact CD1-CH2 3.35Å; F11-W152 HydrophobicContact CD1-CH2 3.35Å; F11-W152 AromaticContact CD1-CZ2 3.2Å; F11-W152 HydrophobicContact CD1-CZ2 3.2Å; F11-W152 AromaticContact CD2-CH2 3.86Å; F11-W152 HydrophobicContact CD2-CH2 3.86Å; F11-W152 HydrophobicContact CD2-CZ2 4.44Å; F11-W152 HydrophobicContact CE1-CH2 4.15Å; F11-W152 AromaticContact CE1-CZ2 3.77Å; F11-W152 HydrophobicContact CE1-CZ2 3.77Å; F11-W152 AromaticContact CG-CH2 3.15Å; F11-W152 HydrophobicContact CG-CH2 3.15Å; F11-W152 AromaticContact CG-CZ2 3.6Å; F11-W152 HydrophobicContact CG-CZ2 3.6Å; F11-W152 HydrophobicContact CG-CZ3 4.21Å; T149-W152 VanDerWaalsContact O-CH2 3.23Å; T149-W152 WeakPolarHBondContact O-CH2 3.45Å; T149-W152 WeakPolarHBondContact O-CZ3 3.39Å; V150-W152 VanDerWaalsContact C-N 3.3Å; V150-W152 HydrophobicContact CB-CZ2 4.48Å; V150-W152 HydrophobicContact CG1-CH2 4.19Å; V150-W152 HydrophobicContact CG1-CZ2 3.69Å; V150-W152 PolarHBondContact O-N 2.71Å
153F83.4Confident84.6Confident36 Ų3672.4 Ų72.416%0.15835%0.346CS..  trans-92.9124.6-177.5-175.6-101.5000111.1F19 Y23 V150 W151 W155F19-F153 HydrophobicContact CD1-CD2 4.45Å; F19-F153 HydrophobicContact CE1-CB 4.43Å; F19-F153 HydrophobicContact CE1-CD1 4.06Å; F19-F153 AromaticContact CE1-CD2 3.66Å; F19-F153 HydrophobicContact CE1-CD2 3.66Å; F19-F153 HydrophobicContact CE1-CE1 4.25Å; F19-F153 AromaticContact CE1-CE2 3.86Å; F19-F153 HydrophobicContact CE1-CE2 3.86Å; F19-F153 AromaticContact CE1-CG 3.77Å; F19-F153 HydrophobicContact CE1-CG 3.77Å; F19-F153 HydrophobicContact CE1-CZ 4.17Å; F19-F153 HydrophobicContact CZ-CD1 4.18Å; F19-F153 HydrophobicContact CZ-CE1 4.34Å; F19-F153 HydrophobicContact CZ-CG 4.3Å; Y23-F153 HydrophobicContact CD1-CE2 4.11Å; Y23-F153 AromaticContact CD1-CZ 3.7Å; Y23-F153 HydrophobicContact CD1-CZ 3.7Å; Y23-F153 HydrophobicContact CD2-CZ 4.33Å; Y23-F153 HydrophobicContact CE1-CE1 4.35Å; Y23-F153 HydrophobicContact CE1-CE2 4.17Å; Y23-F153 AromaticContact CE1-CZ 3.41Å; Y23-F153 HydrophobicContact CE1-CZ 3.41Å; Y23-F153 VanDerWaalsContact CE1-CZ 3.41Å; Y23-F153 HydrophobicContact CE2-CE1 4.32Å; Y23-F153 HydrophobicContact CE2-CZ 4.09Å; Y23-F153 HydrophobicContact CG-CZ 4.15Å; Y23-F153 AromaticContact CZ-CZ 3.64Å; V150-F153 HydrophobicContact CB-CB 4.45Å; V150-F153 HydrophobicContact CG1-CB 3.51Å; V150-F153 HydrophobicContact CG1-CG 4.36Å; V150-F153 PolarHBondContact O-N 3.15Å; V150-F153 VanDerWaalsContact O-N 3.16Å; W151-F153 VanDerWaalsContact C-N 3.3Å; F153-W155 AromaticContact CD1-CD2 3.64Å; F153-W155 HydrophobicContact CD1-CD2 3.64Å; F153-W155 AromaticContact CD1-CE2 3.59Å; F153-W155 HydrophobicContact CD1-CE3 4.08Å; F153-W155 AromaticContact CD1-CG 3.94Å; F153-W155 HydrophobicContact CD1-CG 3.94Å; F153-W155 HydrophobicContact CD1-CH2 4.4Å; F153-W155 HydrophobicContact CD1-CZ2 4Å; F153-W155 HydrophobicContact CD1-CZ3 4.43Å; F153-W155 AromaticContact CD1-NE1 3.82Å; F153-W155 AromaticContact CE1-CD2 3.75Å; F153-W155 HydrophobicContact CE1-CD2 3.75Å; F153-W155 AromaticContact CE1-CE3 3.74Å; F153-W155 HydrophobicContact CE1-CE3 3.74Å; F153-W155 HydrophobicContact CE1-CG 4.18Å; F153-W155 HydrophobicContact CE1-CH2 4.44Å; F153-W155 HydrophobicContact CE1-CZ2 4.46Å; F153-W155 HydrophobicContact CE1-CZ3 4.09Å; F153-W155 PolarHBondContact O-N 2.84Å
154N83.8Confident84.8Confident149 Ų14972.4 Ų72.480%0.79734%0.344SS*.  trans-84.3100.8176.4-70.2-25000109.6
155W84.9Confident85.2Confident31 Ų3175 Ų7512%0.11735%0.348CS..PPolyproline II helixtrans-67.5143.6176.4-64.690.7000111.7F19 Y23 R145 F153F19-W155 HydrophobicContact CE2-CH2 4.42Å; F19-W155 AromaticContact CZ-CH2 3.98Å; F19-W155 HydrophobicContact CZ-CH2 3.98Å; F19-W155 HydrophobicContact CZ-CZ2 4.29Å; Y23-W155 HydrophobicContact CE2-CZ3 4.49Å; R145-W155 HydrophobicContact CB-CB 3.99Å; R145-W155 HydrophobicContact CB-CG 4.11Å; R145-W155 HydrophobicContact CG-CD2 4.43Å; R145-W155 HydrophobicContact CG-CG 4.11Å; F153-W155 AromaticContact CD1-CD2 3.64Å; F153-W155 HydrophobicContact CD1-CD2 3.64Å; F153-W155 AromaticContact CD1-CE2 3.59Å; F153-W155 HydrophobicContact CD1-CE3 4.08Å; F153-W155 AromaticContact CD1-CG 3.94Å; F153-W155 HydrophobicContact CD1-CG 3.94Å; F153-W155 HydrophobicContact CD1-CH2 4.4Å; F153-W155 HydrophobicContact CD1-CZ2 4Å; F153-W155 HydrophobicContact CD1-CZ3 4.43Å; F153-W155 AromaticContact CD1-NE1 3.82Å; F153-W155 AromaticContact CE1-CD2 3.75Å; F153-W155 HydrophobicContact CE1-CD2 3.75Å; F153-W155 AromaticContact CE1-CE3 3.74Å; F153-W155 HydrophobicContact CE1-CE3 3.74Å; F153-W155 HydrophobicContact CE1-CG 4.18Å; F153-W155 HydrophobicContact CE1-CH2 4.44Å; F153-W155 HydrophobicContact CE1-CZ2 4.46Å; F153-W155 HydrophobicContact CE1-CZ3 4.09Å; F153-W155 PolarHBondContact O-N 2.84Å
156P85.9Confident85.6Confident55 Ų5571.6 Ų71.636%0.35734%0.337SS..PPolyproline II helixtrans-61.3150170.327.7-34.3000110.3Y23 Y158Y23-P156 WeakPolarHBondContact OH-CD 3.43Å; P156-Y158 HydrophobicContact CG-CE1 4.33Å; P156-Y158 HydrophobicContact CG-CE2 4.38Å; P156-Y158 PolarHBondContact O-N 3.2Å
157R87.1Confident86.2Confident100 Ų10065.4 Ų65.438%0.37731%0.313SS..PPolyproline II helixtrans-79.8117.2175.8-67.5-67-68.1-106.40.8109.1K141 L142K141-R157 HydrophobicContact CG-CB 4.31Å; L142-R157 PolarHBondContact O-NE 3.33Å; L142-R157 PolarHBondContact O-NH2 3.41Å
158Y87.7Confident86.9Confident92 Ų9264 Ų6436%0.36131%0.306SS..PPolyproline II helixtrans-83.4151.2174.2-61.2-72.1000111.2L142 P156L142-Y158 WeakPolarHBondContact CB-O 3.27Å; L142-Y158 PolarHBondContact N-O 2.74Å; P156-Y158 HydrophobicContact CG-CE1 4.33Å; P156-Y158 HydrophobicContact CG-CE2 4.38Å; P156-Y158 PolarHBondContact O-N 3.2Å
159Y89.5Confident87.9Confident141 Ų14159.5 Ų59.555%0.55328%0.276SS*.EExtended strand (participates in β ladder)trans-104.5141.3169.5-71.5-95.2000109.4L140 K141L140-Y159 CarbonylContact O-C 3.58Å; L140-Y159 VanDerWaalsContact O-CA 3.3Å; L140-Y159 WeakPolarHBondContact O-CA 3.15Å; K141-Y159 HydrophobicContact CB-CD1 4.13Å; K141-Y159 HydrophobicContact CB-CE1 3.74Å; K141-Y159 HydrophobicContact CG-CE1 4.19Å
160G90.2Very high88.7Confident15 Ų1555.3 Ų55.316%0.15525%0.251CS..EExtended strand (participates in β ladder)trans172.2-163.1179.800000112.7T138 L140T138-G160 CarbonylContact O-C 3.54Å; L140-G160 PolarHBondContact N-O 2.8Å; L140-G160 PolarHBondContact O-N 3.15Å; L140-G160 VanDerWaalsContact O-O 3.1Å
161I91.2Very high89.3Confident18 Ų1855 Ų559%0.09225%0.249CC..  trans-83.3121.7-176.6-52151000108.6T138 R165 K166T138-I161 WeakPolarHBondContact O-CG1 3.3Å; T138-I161 PolarHBondContact O-N 3.31Å; I161-R165 HydrophobicContact CG2-CB 3.9Å; I161-R165 HydrophobicContact CG2-CG 3.82Å; I161-K166 HydrophobicContact CB-CG 4.2Å; I161-K166 HydrophobicContact CG2-CG 3.65Å; I161-K166 VanDerWaalsContact O-CE 3.31Å; I161-K166 WeakPolarHBondContact O-CE 3.47Å
162P92.1Very high90.1Very high31 Ų3148.5 Ų48.520%0.20123%0.227CC..  trans-68.9153.7177.830.7-36.1000111.2L140 L142 V164 R165 K166L140-P162 HydrophobicContact CD1-CG 3.93Å; L142-P162 HydrophobicContact CD2-CB 4.48Å; P162-V164 PolarHBondContact O-N 2.73Å; P162-R165 HydrophobicContact CG-CB 3.69Å; P162-R165 WeakPolarHBondContact O-CA 3.45Å; P162-R165 WeakPolarHBondContact O-CB 3.48Å; P162-R165 PolarHBondContact O-N 3.21Å; P162-K166 PolarHBondContact O-N 2.91Å; P162-K166 VanDerWaalsContact O-N 3.09Å
163S90.5Very high90.8Very high1 Ų145.5 Ų45.51%0.00722%0.216CC..Hα-helixtrans-57.5-44.5-175-62.10000113.6R165 K166 S167 Y288 E337S163-R165 PolarHBondContact O-N 3.27Å; S163-K166 WeakPolarHBondContact O-CB 3.38Å; S163-K166 PolarHBondContact O-N 2.94Å; S163-K166 VanDerWaalsContact O-N 3.11Å; S163-S167 PolarHBondContact O-N 3.11Å; S163-S167 PolarHBondContact O-OG 2.85Å; S163-Y288 PolarHBondContact OG-OH 3.29Å; S163-E337 WeakPolarHBondContact OG-CG 3.41Å; S163-E337 PolarHBondContact OG-OE1 3.49Å
164V92.9Very high91.2Very high56 Ų5645.8 Ų45.834%0.33922%0.217SC..Hα-helixtrans-53-42.1173.41790000111.6P162 S168 V283 D285P162-V164 PolarHBondContact O-N 2.73Å; V164-S168 WeakPolarHBondContact O-CB 3.46Å; V164-S168 PolarHBondContact O-N 2.7Å; V164-S168 PolarHBondContact O-OG 2.8Å; V164-V283 HydrophobicContact CB-CG1 4.08Å; V164-V283 HydrophobicContact CG1-CG1 3.65Å; V164-V283 HydrophobicContact CG2-CG1 4.44Å; V164-V283 WeakPolarHBondContact O-CG1 3.4Å; V164-D285 HydrophobicContact CG2-CB 3.52Å; V164-D285 VanDerWaalsContact CG2-CG 3.41Å; V164-D285 WeakPolarHBondContact CG2-OD1 3.33Å
165R93.2Very high91.7Very high109 Ų10939 Ų3941%0.41118%0.181SC..Hα-helixtrans-70.1-40.7-179.8-177.260.6171.6167.61.6111.6T138 I161 P162 S163 S168 I169T138-R165 HydrophobicContact CG2-CG 4.45Å; I161-R165 HydrophobicContact CG2-CB 3.9Å; I161-R165 HydrophobicContact CG2-CG 3.82Å; P162-R165 HydrophobicContact CG-CB 3.69Å; P162-R165 WeakPolarHBondContact O-CA 3.45Å; P162-R165 WeakPolarHBondContact O-CB 3.48Å; P162-R165 PolarHBondContact O-N 3.21Å; S163-R165 PolarHBondContact O-N 3.27Å; R165-S168 PolarHBondContact O-N 3Å; R165-I169 HydrophobicContact CG-CD1 4.05Å; R165-I169 VanDerWaalsContact O-CG1 3.31Å; R165-I169 WeakPolarHBondContact O-CG1 3.43Å; R165-I169 PolarHBondContact O-N 2.97Å
166K93Very high92Very high44 Ų4444.5 Ų44.519%0.19120%0.202CC..Hα-helixtrans-57.9-52.5175-62.8179.5174.3179.80110.7N133 I161 P162 S163 S168 I169 L170N133-K166 WeakPolarHBondContact OD1-CD 3.31Å; I161-K166 HydrophobicContact CB-CG 4.2Å; I161-K166 HydrophobicContact CG2-CG 3.65Å; I161-K166 VanDerWaalsContact O-CE 3.31Å; I161-K166 WeakPolarHBondContact O-CE 3.47Å; P162-K166 PolarHBondContact O-N 2.91Å; P162-K166 VanDerWaalsContact O-N 3.09Å; S163-K166 WeakPolarHBondContact O-CB 3.38Å; S163-K166 PolarHBondContact O-N 2.94Å; S163-K166 VanDerWaalsContact O-N 3.11Å; K166-S168 VanDerWaalsContact C-N 3.33Å; K166-S168 PolarHBondContact O-N 3.1Å; K166-I169 PolarHBondContact O-N 2.86Å; K166-L170 WeakPolarHBondContact O-CG 3.17Å; K166-L170 PolarHBondContact O-N 2.81Å
167S93.6Very high92.4Very high0 Ų043.3 Ų43.30%019%0.192CC..Hα-helixtrans-62.2-38.2179.1-60.20000112.5S163 L170 F171 C335 E337S163-S167 PolarHBondContact O-N 3.11Å; S163-S167 PolarHBondContact O-OG 2.85Å; S167-L170 PolarHBondContact O-N 2.84Å; S167-F171 WeakPolarHBondContact O-CD2 3.11Å; S167-F171 PolarHBondContact O-N 2.84Å; S167-C335 VanDerWaalsContact CB-SG 3.54Å; S167-C335 PolarHBondContact OG-SG 3.41Å; S167-C335 VanDerWaalsContact OG-SG 3.37Å; S167-E337 WeakPolarHBondContact OG-CA 3.42Å; S167-E337 PolarHBondContact OG-N 2.82Å; S167-E337 PolarHBondContact OG-O 2.83Å; S167-E337 VanDerWaalsContact OG-O 3.06Å
168S94.4Very high92.5Very high9 Ų940.5 Ų40.56%0.06319%0.188CC..Hα-helixtrans-61.1-47.4175-59.90000112.1V164 R165 K166 L170 F171 D172V164-S168 WeakPolarHBondContact O-CB 3.46Å; V164-S168 PolarHBondContact O-N 2.7Å; V164-S168 PolarHBondContact O-OG 2.8Å; R165-S168 PolarHBondContact O-N 3Å; K166-S168 VanDerWaalsContact C-N 3.33Å; K166-S168 PolarHBondContact O-N 3.1Å; S168-L170 VanDerWaalsContact C-N 3.33Å; S168-L170 PolarHBondContact O-N 3.26Å; S168-F171 PolarHBondContact O-N 2.78Å; S168-D172 VanDerWaalsContact O-CG 3.27Å; S168-D172 PolarHBondContact O-N 2.91Å
169I94.5Very high92.7Very high15 Ų1538.3 Ų38.38%0.07718%0.18CC..Hα-helixtrans-62.7-41.8177.9-66.6165.6000110.6Q131 A132 R165 K166 D172 N173Q131-I169 HydrophobicContact CB-CG2 4.43Å; Q131-I169 HydrophobicContact CG-CG2 4.07Å; A132-I169 HydrophobicContact CB-CB 4.09Å; A132-I169 HydrophobicContact CB-CG2 3.91Å; R165-I169 HydrophobicContact CG-CD1 4.05Å; R165-I169 VanDerWaalsContact O-CG1 3.31Å; R165-I169 WeakPolarHBondContact O-CG1 3.43Å; R165-I169 PolarHBondContact O-N 2.97Å; K166-I169 PolarHBondContact O-N 2.86Å; I169-D172 PolarHBondContact O-N 3.45Å; I169-N173 WeakPolarHBondContact O-CB 3.45Å; I169-N173 PolarHBondContact O-N 3.1Å; I169-N173 PolarHBondContact O-ND2 2.83Å
170L94.1Very high92.8Very high1 Ų134.7 Ų34.71%0.00517%0.172CC..Hα-helixtrans-60.6-48.5176.1-72.1175.6000111.4A132 K166 S167 S168 D172 N173 F174 F340A132-L170 HydrophobicContact CB-CD1 4.46Å; A132-L170 HydrophobicContact CB-CD2 3.66Å; A132-L170 HydrophobicContact CB-CG 3.63Å; K166-L170 WeakPolarHBondContact O-CG 3.17Å; K166-L170 PolarHBondContact O-N 2.81Å; S167-L170 PolarHBondContact O-N 2.84Å; S168-L170 VanDerWaalsContact C-N 3.33Å; S168-L170 PolarHBondContact O-N 3.26Å; L170-D172 PolarHBondContact O-N 2.87Å; L170-N173 PolarHBondContact O-N 2.85Å; L170-F174 HydrophobicContact CB-CD2 4.24Å; L170-F174 HydrophobicContact CB-CE2 3.96Å; L170-F174 HydrophobicContact CD2-CE2 4.14Å; L170-F174 HydrophobicContact CD2-CZ 4.17Å; L170-F174 WeakPolarHBondContact O-CB 3.34Å; L170-F174 WeakPolarHBondContact O-CD2 3.4Å; L170-F174 VanDerWaalsContact O-CG 3.31Å; L170-F174 WeakPolarHBondContact O-CG 3.32Å; L170-F174 PolarHBondContact O-N 2.88Å; L170-F340 HydrophobicContact CB-CZ 4.15Å; L170-F340 HydrophobicContact CD1-CE2 4.26Å; L170-F340 HydrophobicContact CD1-CZ 4.12Å
171F94.6Very high92.8Very high3 Ų334.9 Ų34.91%0.01317%0.17CC..Hα-helixtrans-61.4-44.6177.8-80.6-41.4000113S167 S168 N173 F174 L175 Y217 F281 I282 V283 V333 C335 F340S167-F171 WeakPolarHBondContact O-CD2 3.11Å; S167-F171 PolarHBondContact O-N 2.84Å; S168-F171 PolarHBondContact O-N 2.78Å; F171-N173 VanDerWaalsContact C-N 3.27Å; F171-N173 PolarHBondContact O-N 2.87Å; F171-F174 PolarHBondContact O-N 2.8Å; F171-L175 WeakPolarHBondContact O-CB 3.48Å; F171-L175 PolarHBondContact O-N 3.02Å; F171-Y217 HydrophobicContact CB-CD1 4.34Å; F171-Y217 HydrophobicContact CB-CE1 4.34Å; F171-Y217 HydrophobicContact CD2-CD1 4.22Å; F171-F281 HydrophobicContact CD1-CB 4.33Å; F171-F281 AromaticContact CD1-CD1 3.66Å; F171-F281 HydrophobicContact CD1-CD1 3.66Å; F171-F281 HydrophobicContact CD1-CE1 4.47Å; F171-F281 HydrophobicContact CD1-CG 4.38Å; F171-F281 HydrophobicContact CD2-CB 4.28Å; F171-F281 HydrophobicContact CE1-CB 4.25Å; F171-F281 AromaticContact CE1-CD1 3.63Å; F171-F281 HydrophobicContact CE1-CD1 3.63Å; F171-F281 HydrophobicContact CE1-CG 4.42Å; F171-F281 HydrophobicContact CE2-CB 4.17Å; F171-F281 HydrophobicContact CG-CB 4.34Å; F171-F281 HydrophobicContact CG-CD1 4.39Å; F171-F281 HydrophobicContact CZ-CB 4.12Å; F171-F281 HydrophobicContact CZ-CD1 4.28Å; F171-I282 WeakPolarHBondContact CE2-O 3.41Å; F171-V283 HydrophobicContact CD2-CG2 3.52Å; F171-V283 HydrophobicContact CE2-CG2 3.67Å; F171-V333 HydrophobicContact CE1-CB 4.33Å; F171-V333 HydrophobicContact CE1-CG1 3.78Å; F171-V333 HydrophobicContact CZ-CG1 4.3Å; F171-V333 WeakPolarHBondContact CZ-O 3.25Å; F171-C335 HydrophobicContact CD1-CB 4.47Å; F171-C335 HydrophobicContact CD2-CB 4.14Å; F171-C335 HydrophobicContact CE1-CB 3.73Å; F171-C335 HydrophobicContact CE2-CB 3.35Å; F171-C335 HydrophobicContact CZ-CB 3.13Å; F171-F340 HydrophobicContact CD1-CE1 4.03Å; F171-F340 HydrophobicContact CE1-CD1 4.1Å; F171-F340 AromaticContact CE1-CE1 3.65Å; F171-F340 HydrophobicContact CE1-CE1 3.65Å; F171-F340 HydrophobicContact CZ-CE1 4.39Å
172D95.1Very high92.7Very high42 Ų4236 Ų3623%0.22518%0.175CC..Hα-helixtrans-59.8-42.2178.7-71.6-33.4000111.4S168 I169 L170 R176 R195 Y217S168-D172 VanDerWaalsContact O-CG 3.27Å; S168-D172 PolarHBondContact O-N 2.91Å; I169-D172 PolarHBondContact O-N 3.45Å; L170-D172 PolarHBondContact O-N 2.87Å; D172-R176 VanDerWaalsContact O-CB 3.27Å; D172-R176 WeakPolarHBondContact O-CB 3.38Å; D172-R176 PolarHBondContact O-N 3.19Å; D172-R195 IonicContact OD1-CZ 3.55Å; D172-R195 IonicContact OD1-NH1 2.7Å; D172-R195 PolarHBondContact OD1-NH1 2.87Å; D172-R195 IonicContact OD1-NH2 3.61Å; D172-R195 PolarHBondContact OD1-NH2 2.9Å; D172-R195 IonicContact OD2-NH1 2.65Å; D172-Y217 PolarHBondContact OD1-OH 3.26Å; D172-Y217 PolarHBondContact OD2-OH 3.18Å
173N94.6Very high92.6Very high8 Ų842 Ų424%0.04320%0.2CC..Hα-helixtrans-69.4-48.1178.1-81.2-28.8000112.9F128 Q131 I169 L170 F171 L175 R176 H177F128-N173 HydrophobicContact CB-CB 3.95Å; F128-N173 HydrophobicContact CD1-CB 3.59Å; F128-N173 HydrophobicContact CD2-CB 4.11Å; F128-N173 HydrophobicContact CE1-CB 4.09Å; F128-N173 HydrophobicContact CG-CB 3.61Å; Q131-N173 PolarHBondContact OE1-ND2 2.82Å; Q131-N173 PolarHBondContact OE1-OD1 2.78Å; I169-N173 WeakPolarHBondContact O-CB 3.45Å; I169-N173 PolarHBondContact O-N 3.1Å; I169-N173 PolarHBondContact O-ND2 2.83Å; L170-N173 PolarHBondContact O-N 2.85Å; F171-N173 VanDerWaalsContact C-N 3.27Å; F171-N173 PolarHBondContact O-N 2.87Å; N173-L175 VanDerWaalsContact C-N 3.34Å; N173-L175 PolarHBondContact O-N 3.03Å; N173-R176 PolarHBondContact O-N 3.43Å; N173-R176 PolarHBondContact OD1-NH2 2.99Å; N173-H177 WeakPolarHBondContact O-CB 3.4Å; N173-H177 PolarHBondContact O-N 3.01Å
174F93.1Very high92.5Very high41 Ų4146.5 Ų46.518%0.1822%0.221CC..Hα-helixtrans-64.1-39.7179.1-69.2-38.3000112.1L125 F128 L170 F171 H177 S178 F340 I370L125-F174 HydrophobicContact CD2-CD1 4.07Å; L125-F174 HydrophobicContact CD2-CE1 3.39Å; L125-F174 HydrophobicContact CD2-CZ 4.28Å; F128-F174 HydrophobicContact CB-CE1 4.33Å; F128-F174 AromaticContact CD2-CD1 3.79Å; F128-F174 HydrophobicContact CD2-CD1 3.79Å; F128-F174 AromaticContact CD2-CE1 3.77Å; F128-F174 HydrophobicContact CD2-CE1 3.77Å; F128-F174 HydrophobicContact CE2-CD1 4.36Å; L170-F174 HydrophobicContact CB-CD2 4.24Å; L170-F174 HydrophobicContact CB-CE2 3.96Å; L170-F174 HydrophobicContact CD2-CE2 4.14Å; L170-F174 HydrophobicContact CD2-CZ 4.17Å; L170-F174 WeakPolarHBondContact O-CB 3.34Å; L170-F174 WeakPolarHBondContact O-CD2 3.4Å; L170-F174 VanDerWaalsContact O-CG 3.31Å; L170-F174 WeakPolarHBondContact O-CG 3.32Å; L170-F174 PolarHBondContact O-N 2.88Å; F171-F174 PolarHBondContact O-N 2.8Å; F174-H177 PolarHBondContact O-N 2.7Å; F174-S178 WeakPolarHBondContact O-CB 3.45Å; F174-S178 PolarHBondContact O-N 3Å; F174-F340 HydrophobicContact CD2-CE1 4.11Å; F174-F340 AromaticContact CD2-CZ 3.9Å; F174-F340 HydrophobicContact CD2-CZ 3.9Å; F174-F340 HydrophobicContact CE2-CE1 4.09Å; F174-F340 AromaticContact CE2-CE2 3.96Å; F174-F340 HydrophobicContact CE2-CE2 3.96Å; F174-F340 AromaticContact CE2-CZ 3.45Å; F174-F340 HydrophobicContact CE2-CZ 3.45Å; F174-F340 VanDerWaalsContact CE2-CZ 3.45Å; F174-I370 HydrophobicContact CE2-CD1 3.88Å; F174-I370 HydrophobicContact CZ-CD1 3.71Å
175L92.8Very high92.4Very high8 Ų846.3 Ų46.34%0.04222%0.218CC..Hα-helixtrans-69.7-40.4177.7-175.360.6000112F171 N173 H177 S178 F179 L193 I218 L220 F281F171-L175 WeakPolarHBondContact O-CB 3.48Å; F171-L175 PolarHBondContact O-N 3.02Å; N173-L175 VanDerWaalsContact C-N 3.34Å; N173-L175 PolarHBondContact O-N 3.03Å; L175-H177 VanDerWaalsContact C-N 3.29Å; L175-H177 PolarHBondContact O-N 3.09Å; L175-S178 WeakPolarHBondContact CA-OG 3.46Å; L175-S178 PolarHBondContact O-N 3.21Å; L175-S178 PolarHBondContact O-OG 3.28Å; L175-F179 HydrophobicContact CD1-CD2 4.45Å; L175-F179 HydrophobicContact CD1-CE2 3.81Å; L175-F179 HydrophobicContact CD1-CZ 3.99Å; L175-F179 HydrophobicContact CD2-CE2 4.3Å; L175-F179 HydrophobicContact CG-CD2 4.24Å; L175-F179 HydrophobicContact CG-CE2 3.67Å; L175-F179 HydrophobicContact CG-CZ 4.32Å; L175-F179 WeakPolarHBondContact O-CD2 3.42Å; L175-F179 PolarHBondContact O-N 3.28Å; L175-F179 VanDerWaalsContact O-N 3.12Å; L175-L193 HydrophobicContact CD2-CD1 3.32Å; L175-L193 HydrophobicContact CG-CD1 4.32Å; L175-I218 HydrophobicContact CD2-CD1 3.73Å; L175-I218 HydrophobicContact CD2-CG2 3.81Å; L175-L220 HydrophobicContact CD1-CD1 4.04Å; L175-L220 HydrophobicContact CD1-CD2 4.39Å; L175-F281 HydrophobicContact CD1-CE2 4.14Å; L175-F281 HydrophobicContact CD1-CZ 4.04Å; L175-F281 HydrophobicContact CD2-CE2 4.43Å
176R92.8Very high92.1Very high145 Ų14544.3 Ų44.355%0.54723%0.231SC..Hα-helixtrans-60.5-43.7171.9-176.3179.864.9175.5-4.8110.8D172 N173 F179 V180D172-R176 VanDerWaalsContact O-CB 3.27Å; D172-R176 WeakPolarHBondContact O-CB 3.38Å; D172-R176 PolarHBondContact O-N 3.19Å; N173-R176 PolarHBondContact O-N 3.43Å; N173-R176 PolarHBondContact OD1-NH2 2.99Å; R176-F179 PolarHBondContact O-N 3.47Å; R176-V180 WeakPolarHBondContact O-CG2 3.01Å; R176-V180 PolarHBondContact O-N 3.12Å; R176-V180 VanDerWaalsContact O-N 3.16Å
177H92.6Very high91.8Very high30 Ų3046 Ų4614%0.13925%0.246CC..Hα-helixtrans-65.5-38178.9-170.460.6000112.2F128 N173 F174 L175 F179 V180 L181F128-H177 HydrophobicContact CE2-CB 3.74Å; F128-H177 AromaticContact CE2-CG 3.89Å; F128-H177 HydrophobicContact CZ-CB 3.87Å; N173-H177 WeakPolarHBondContact O-CB 3.4Å; N173-H177 PolarHBondContact O-N 3.01Å; F174-H177 PolarHBondContact O-N 2.7Å; L175-H177 VanDerWaalsContact C-N 3.29Å; L175-H177 PolarHBondContact O-N 3.09Å; H177-F179 VanDerWaalsContact C-N 3.33Å; H177-F179 PolarHBondContact O-N 3.29Å; H177-V180 PolarHBondContact O-N 3.3Å; H177-V180 VanDerWaalsContact O-N 3.16Å; H177-L181 WeakPolarHBondContact O-CG 3.4Å; H177-L181 PolarHBondContact O-N 2.93Å
178S90.6Very high91.4Very high42 Ų4257.1 Ų57.129%0.29429%0.287SS..Hα-helixtrans-65.5-34.617671.10000112.7F174 L175 L181 M182F174-S178 WeakPolarHBondContact O-CB 3.45Å; F174-S178 PolarHBondContact O-N 3Å; L175-S178 WeakPolarHBondContact CA-OG 3.46Å; L175-S178 PolarHBondContact O-N 3.21Å; L175-S178 PolarHBondContact O-OG 3.28Å; S178-L181 PolarHBondContact O-N 3.25Å; S178-M182 WeakPolarHBondContact O-CB 3.24Å; S178-M182 WeakPolarHBondContact O-CG 3.48Å; S178-M182 PolarHBondContact O-N 2.8Å
179F91.7Very high90.8Very high46 Ų4660.1 Ų60.120%0.20231%0.305CS..Hα-helixtrans-64.9-39.3170.5-69.7-53000113.2L175 R176 H177 M182 Q183 V189 L193 L220L175-F179 HydrophobicContact CD1-CD2 4.45Å; L175-F179 HydrophobicContact CD1-CE2 3.81Å; L175-F179 HydrophobicContact CD1-CZ 3.99Å; L175-F179 HydrophobicContact CD2-CE2 4.3Å; L175-F179 HydrophobicContact CG-CD2 4.24Å; L175-F179 HydrophobicContact CG-CE2 3.67Å; L175-F179 HydrophobicContact CG-CZ 4.32Å; L175-F179 WeakPolarHBondContact O-CD2 3.42Å; L175-F179 PolarHBondContact O-N 3.28Å; L175-F179 VanDerWaalsContact O-N 3.12Å; R176-F179 PolarHBondContact O-N 3.47Å; H177-F179 VanDerWaalsContact C-N 3.33Å; H177-F179 PolarHBondContact O-N 3.29Å; F179-M182 HydrophobicContact CD1-CE 3.27Å; F179-M182 HydrophobicContact CE1-CE 3.62Å; F179-M182 HydrophobicContact CG-CE 4.2Å; F179-M182 PolarHBondContact O-N 3.16Å; F179-Q183 PolarHBondContact O-N 3.27Å; F179-Q183 VanDerWaalsContact O-N 3.13Å; F179-V189 HydrophobicContact CD1-CB 4.47Å; F179-V189 HydrophobicContact CD1-CG1 3.7Å; F179-V189 HydrophobicContact CD1-CG2 3.86Å; F179-V189 HydrophobicContact CE1-CG1 3.65Å; F179-L193 HydrophobicContact CE2-CD1 4.28Å; F179-L220 HydrophobicContact CZ-CD2 4.04Å
180V90.9Very high90.4Very high64 Ų6463 Ų6339%0.38832%0.321SS..Hα-helixtrans-64.8-45.6174.5174.40000110.8R176 H177 M182 Q183 Q184R176-V180 WeakPolarHBondContact O-CG2 3.01Å; R176-V180 PolarHBondContact O-N 3.12Å; R176-V180 VanDerWaalsContact O-N 3.16Å; H177-V180 PolarHBondContact O-N 3.3Å; H177-V180 VanDerWaalsContact O-N 3.16Å; V180-M182 VanDerWaalsContact C-N 3.33Å; V180-M182 PolarHBondContact O-N 3.21Å; V180-Q183 PolarHBondContact O-N 2.67Å; V180-Q184 HydrophobicContact CG1-CG 4.44Å; V180-Q184 WeakPolarHBondContact O-CG 3.45Å; V180-Q184 PolarHBondContact O-N 3.22Å
181L90.1Very high90.1Very high20 Ų2065.1 Ų65.111%0.10533%0.33CS..Hα-helixtrans-61.8-39176.6-72.4172.9000112.2F118 H177 S178 Q183 Q184 N185F118-L181 HydrophobicContact CD1-CD1 4.04Å; F118-L181 HydrophobicContact CD1-CD2 4.26Å; F118-L181 HydrophobicContact CE1-CD1 4.03Å; H177-L181 WeakPolarHBondContact O-CG 3.4Å; H177-L181 PolarHBondContact O-N 2.93Å; S178-L181 PolarHBondContact O-N 3.25Å; L181-Q183 VanDerWaalsContact C-N 3.34Å; L181-Q183 PolarHBondContact O-N 3.28Å; L181-Q184 PolarHBondContact O-N 2.72Å; L181-N185 WeakPolarHBondContact O-CB 3.32Å; L181-N185 PolarHBondContact O-N 3Å; L181-N185 PolarHBondContact O-ND2 2.97Å; L181-N185 VanDerWaalsContact O-ND2 3.15Å
182M89.8Confident89.9Confident42 Ų4270.5 Ų70.521%0.20735%0.351CS..Hα-helixtrans-59.2-45.8173.8-82.5-171.1-92.800111.4S178 F179 V180 N185 G186 V187 V189S178-M182 WeakPolarHBondContact O-CB 3.24Å; S178-M182 WeakPolarHBondContact O-CG 3.48Å; S178-M182 PolarHBondContact O-N 2.8Å; F179-M182 HydrophobicContact CD1-CE 3.27Å; F179-M182 HydrophobicContact CE1-CE 3.62Å; F179-M182 HydrophobicContact CG-CE 4.2Å; F179-M182 PolarHBondContact O-N 3.16Å; V180-M182 VanDerWaalsContact C-N 3.33Å; V180-M182 PolarHBondContact O-N 3.21Å; M182-N185 PolarHBondContact O-N 3.31Å; M182-G186 PolarHBondContact O-N 3.04Å; M182-V187 CarbonylContact C-O 3.58Å; M182-V187 HydrophobicContact CB-CB 4.31Å; M182-V187 WeakPolarHBondContact O-CA 3.3Å; M182-V187 WeakPolarHBondContact O-CB 2.99Å; M182-V187 PolarHBondContact O-N 2.69Å; M182-V189 HydrophobicContact CB-CG2 4.45Å
183Q89.4Confident89.7Confident155 Ų15571.3 Ų71.372%0.72436%0.355SS*.Hα-helixtrans-66.3-39.8179-175.7173.9-9.700112.3F179 V180 L181 N185 G186F179-Q183 PolarHBondContact O-N 3.27Å; F179-Q183 VanDerWaalsContact O-N 3.13Å; V180-Q183 PolarHBondContact O-N 2.67Å; L181-Q183 VanDerWaalsContact C-N 3.34Å; L181-Q183 PolarHBondContact O-N 3.28Å; Q183-N185 VanDerWaalsContact C-N 3.34Å; Q183-G186 PolarHBondContact O-N 2.87Å; Q183-G186 VanDerWaalsContact O-N 3.16Å
184Q89.1Confident89.5Confident96 Ų9672.6 Ų72.645%0.44936%0.36SS..Hα-helixtrans-63.4-39.2176.8-73.9175-19.500112.2V180 L181 G186V180-Q184 HydrophobicContact CG1-CG 4.44Å; V180-Q184 WeakPolarHBondContact O-CG 3.45Å; V180-Q184 PolarHBondContact O-N 3.22Å; L181-Q184 PolarHBondContact O-N 2.72Å; Q184-G186 PolarHBondContact O-N 3.38Å
185N89.8Confident89.4Confident53 Ų5375.7 Ų75.728%0.28337%0.37SS..THydrogen-bonded Turntrans-83.413.8176.1-67.6-45000113.4V116 Q117 L181 M182 Q183 V187V116-N185 WeakPolarHBondContact CG1-ND2 3.41Å; Q117-N185 PolarHBondContact N-OD1 2.75Å; Q117-N185 PolarHBondContact O-ND2 3.09Å; L181-N185 WeakPolarHBondContact O-CB 3.32Å; L181-N185 PolarHBondContact O-N 3Å; L181-N185 PolarHBondContact O-ND2 2.97Å; L181-N185 VanDerWaalsContact O-ND2 3.15Å; M182-N185 PolarHBondContact O-N 3.31Å; Q183-N185 VanDerWaalsContact C-N 3.34Å; N185-V187 VanDerWaalsContact C-N 3.27Å; N185-V187 PolarHBondContact O-N 2.95Å
186G87.4Confident89.4Confident66 Ų6679.3 Ų79.368%0.6839%0.39SS*.THydrogen-bonded Turntrans73.59175.300000115.5M182 Q183 Q184M182-G186 PolarHBondContact O-N 3.04Å; Q183-G186 PolarHBondContact O-N 2.87Å; Q183-G186 VanDerWaalsContact O-N 3.16Å; Q184-G186 PolarHBondContact O-N 3.38Å
187V87.9Confident89.2Confident81 Ų8174.1 Ų74.149%0.49137%0.372SS..  trans-85.4120.8179.6-177.90000109.9M182 N185 V189M182-V187 CarbonylContact C-O 3.58Å; M182-V187 HydrophobicContact CB-CB 4.31Å; M182-V187 WeakPolarHBondContact O-CA 3.3Å; M182-V187 WeakPolarHBondContact O-CB 2.99Å; M182-V187 PolarHBondContact O-N 2.69Å; N185-V187 VanDerWaalsContact C-N 3.27Å; N185-V187 PolarHBondContact O-N 2.95Å; V187-V189 PolarHBondContact O-N 3.23Å
188R84.6Confident89.2Confident232 Ų23274.9 Ų74.988%0.87538%0.38SS*.  trans-70.5128174.9-69.2-175.7178.2-176.5-0.2110.9N190R188-N190 PolarHBondContact O-N 3.28Å
189V81.3Confident89.2Confident72 Ų7273 Ų7344%0.43637%0.367SS..  trans-68.9105.7173.9-177.20000109.3F179 M182 V187F179-V189 HydrophobicContact CD1-CB 4.47Å; F179-V189 HydrophobicContact CD1-CG1 3.7Å; F179-V189 HydrophobicContact CD1-CG2 3.86Å; F179-V189 HydrophobicContact CE1-CG1 3.65Å; M182-V189 HydrophobicContact CB-CG2 4.45Å; V187-V189 PolarHBondContact O-N 3.23Å
190N85.9Confident89.3Confident77 Ų7773.2 Ų73.241%0.41237%0.368SS..  trans-116.940.4176.6-169.624.2000111.3R188 R223R188-N190 PolarHBondContact O-N 3.28Å; N190-R223 PolarHBondContact OD1-NE 3.34Å
191Q87.6Confident89.4Confident44 Ų4470.5 Ų70.521%0.20635%0.351CS..  trans-126.1144.8-178.6-52.2-177.711.600108.9W221 K222Q191-W221 CarbonylContact C-O 3.56Å; Q191-W221 WeakPolarHBondContact CA-O 3.38Å; Q191-K222 HydrophobicContact CG-CD 4.42Å; Q191-K222 HydrophobicContact CG-CG 3.97Å
192R89.9Confident89.6Confident117 Ų11770.2 Ų70.244%0.44235%0.349SS..EExtended strand (participates in β ladder)trans-108.2140.6173.5-167167.1174.8153.2-4.4110F194 L220 W221 F274R192-F194 HydrophobicContact CB-CE2 4.01Å; R192-F194 HydrophobicContact CG-CD2 4.15Å; R192-F194 HydrophobicContact CG-CE2 3.48Å; R192-F194 VanDerWaalsContact CG-CE2 3.48Å; R192-F194 HydrophobicContact CG-CZ 3.91Å; R192-L220 WeakPolarHBondContact O-CA 3.44Å; R192-W221 HydrophobicContact CB-CB 4.42Å; R192-W221 PolarHBondContact N-O 3.37Å; R192-W221 PolarHBondContact O-N 3.49Å; R192-F274 HydrophobicContact CB-CB 4.48Å; R192-F274 HydrophobicContact CB-CD1 4.33Å; R192-F274 HydrophobicContact CB-CD2 4.31Å; R192-F274 HydrophobicContact CB-CG 4.13Å
193L90.8Very high89.7Confident58 Ų5868.8 Ų68.830%0.30434%0.343SS..EExtended strand (participates in β ladder)trans-105.4128.6-178-175.8152.3000109.7L175 F179 R195 I218 L220L175-L193 HydrophobicContact CD2-CD1 3.32Å; L175-L193 HydrophobicContact CG-CD1 4.32Å; F179-L193 HydrophobicContact CE2-CD1 4.28Å; L193-R195 HydrophobicContact CD2-CG 3.79Å; L193-I218 HydrophobicContact CD1-CG2 3.81Å; L193-I218 HydrophobicContact CD2-CG2 4.22Å; L193-I218 HydrophobicContact CG-CG2 3.67Å; L193-L220 HydrophobicContact CB-CD2 4.21Å; L193-L220 HydrophobicContact CD1-CD2 4.31Å; L193-L220 HydrophobicContact CG-CD2 4.36Å
194F91.3Very high89.8Confident35 Ų3568.5 Ų68.515%0.15434%0.335CS..EExtended strand (participates in β ladder)trans-125.5152.6169.6-66.6-91.5000110.1R192 E197 I218 A219 W221 P271R192-F194 HydrophobicContact CB-CE2 4.01Å; R192-F194 HydrophobicContact CG-CD2 4.15Å; R192-F194 HydrophobicContact CG-CE2 3.48Å; R192-F194 VanDerWaalsContact CG-CE2 3.48Å; R192-F194 HydrophobicContact CG-CZ 3.91Å; F194-E197 HydrophobicContact CB-CG 4.01Å; F194-E197 WeakPolarHBondContact CB-OE1 3.28Å; F194-E197 VanDerWaalsContact CB-OE2 3.31Å; F194-E197 WeakPolarHBondContact CB-OE2 3.01Å; F194-E197 WeakPolarHBondContact CD1-OE1 3.41Å; F194-E197 WeakPolarHBondContact CG-OE1 3.12Å; F194-I218 CarbonylContact O-C 3.58Å; F194-I218 WeakPolarHBondContact O-CA 3.41Å; F194-A219 PolarHBondContact N-O 3.06Å; F194-A219 PolarHBondContact O-N 3Å; F194-W221 AromaticContact CD2-CD1 3.35Å; F194-W221 HydrophobicContact CD2-CD2 4.48Å; F194-W221 AromaticContact CD2-CG 3.94Å; F194-W221 HydrophobicContact CD2-CG 3.94Å; F194-W221 AromaticContact CD2-NE1 3.49Å; F194-W221 HydrophobicContact CE2-CG 4.19Å; F194-P271 VanDerWaalsContact CZ-CD 3.48Å; F194-P271 HydrophobicContact CZ-CG 4.24Å
195R91.9Very high89.9Confident106 Ų10664.6 Ų64.640%0.432%0.316SS..EExtended strand (participates in β ladder)trans-122.2140.9-175.4-68-178.8177.7-98.1-1.5110.6D172 L193 E197 Y217 I218D172-R195 IonicContact OD1-CZ 3.55Å; D172-R195 IonicContact OD1-NH1 2.7Å; D172-R195 PolarHBondContact OD1-NH1 2.87Å; D172-R195 IonicContact OD1-NH2 3.61Å; D172-R195 PolarHBondContact OD1-NH2 2.9Å; D172-R195 IonicContact OD2-NH1 2.65Å; L193-R195 HydrophobicContact CD2-CG 3.79Å; R195-E197 PolarHBondContact O-N 2.93Å; R195-E197 VanDerWaalsContact O-N 3.11Å; R195-Y217 VanDerWaalsContact CA-O 3.25Å; R195-Y217 WeakPolarHBondContact CA-O 3.33Å; R195-Y217 PolarHBondContact NH1-OH 2.86Å; R195-I218 HydrophobicContact CG-CG1 4.21Å
196N91.5Very high89.8Confident85 Ų8566.5 Ų66.546%0.45533%0.327SS..SBendtrans55.229.1170.1-58.9-43.4000114.2K215 P216 Y217N196-K215 WeakPolarHBondContact O-CE 3.34Å; N196-P216 WeakPolarHBondContact CA-O 3.32Å; N196-P216 PolarHBondContact N-O 2.83Å; N196-Y217 PolarHBondContact N-O 2.86Å; N196-Y217 VanDerWaalsContact N-O 3.1Å
197E89.7Confident89.8Confident35 Ų3571.2 Ų71.216%0.16434%0.336CS..  trans-78.3143.7173.4-65.6-173.3150.700109.7F194 R195 P216 W221 P268F194-E197 HydrophobicContact CB-CG 4.01Å; F194-E197 WeakPolarHBondContact CB-OE1 3.28Å; F194-E197 VanDerWaalsContact CB-OE2 3.31Å; F194-E197 WeakPolarHBondContact CB-OE2 3.01Å; F194-E197 WeakPolarHBondContact CD1-OE1 3.41Å; F194-E197 WeakPolarHBondContact CG-OE1 3.12Å; R195-E197 PolarHBondContact O-N 2.93Å; R195-E197 VanDerWaalsContact O-N 3.11Å; E197-P216 VanDerWaalsContact O-CD 3.25Å; E197-P216 WeakPolarHBondContact O-CD 3.48Å; E197-W221 WeakPolarHBondContact OE2-CZ2 3.39Å; E197-W221 PolarHBondContact OE2-NE1 2.84Å; E197-P268 HydrophobicContact CB-CB 3.82Å; E197-P268 HydrophobicContact CB-CG 3.67Å; E197-P268 VanDerWaalsContact CD-CB 3.43Å; E197-P268 HydrophobicContact CG-CB 4.09Å; E197-P268 HydrophobicContact CG-CG 4.47Å; E197-P268 WeakPolarHBondContact OE2-CB 3.33Å
198C91.5Very high90Very high47 Ų4770.5 Ų70.532%0.31833%0.328SS..  trans-95.7132177.8179.60000109.9P268C198-P268 WeakPolarHBondContact O-CG 3.33Å
199V91.8Very high90.4Very high2 Ų260 Ų601%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-113.7118.7171.7-178.70000106.9S213 V214 I266 P268 I277 A311V199-S213 CarbonylContact O-C 3.52Å; V199-S213 WeakPolarHBondContact O-CA 3.28Å; V199-V214 PolarHBondContact N-O 2.85Å; V199-V214 PolarHBondContact O-N 3.49Å; V199-I266 WeakPolarHBondContact CA-O 3.34Å; V199-P268 HydrophobicContact CG2-CG 3.95Å; V199-I277 HydrophobicContact CG2-CD1 3.78Å; V199-A311 HydrophobicContact CG1-CB 3.22Å
200K93.2Very high91Very high51 Ų5156.7 Ų56.722%0.22227%0.268CS..EExtended strand (participates in β ladder)trans-128.1127.6177.6-176.2176.7-175-179.70109.6F202 C211 F212 S265 I266K200-F202 HydrophobicContact CG-CE2 4.45Å; K200-C211 WeakPolarHBondContact CE-SG 3.2Å; K200-F212 CarbonylContact C-O 3.58Å; K200-F212 VanDerWaalsContact CA-O 3.26Å; K200-F212 WeakPolarHBondContact CA-O 3.22Å; K200-S265 CarbonylContact O-C 3.58Å; K200-S265 VanDerWaalsContact O-CA 3.27Å; K200-S265 WeakPolarHBondContact O-CA 3.28Å; K200-I266 HydrophobicContact CB-CB 3.83Å; K200-I266 HydrophobicContact CB-CD1 4.09Å; K200-I266 HydrophobicContact CB-CG1 4.02Å; K200-I266 HydrophobicContact CD-CD1 4.08Å; K200-I266 HydrophobicContact CD-CG1 4.49Å; K200-I266 PolarHBondContact N-O 3.45Å; K200-I266 PolarHBondContact O-N 3.01Å
201D93.2Very high91.4Very high6 Ų653.1 Ų53.13%0.03225%0.249CC..EExtended strand (participates in β ladder)trans-150165.6175.5-141.8-23.5000113.1C211 F212 S265 I310 A311 N314D201-C211 WeakPolarHBondContact O-CA 3.38Å; D201-F212 PolarHBondContact N-O 3.34Å; D201-F212 PolarHBondContact O-N 3.42Å; D201-S265 WeakPolarHBondContact OD1-CB 3.49Å; D201-S265 PolarHBondContact OD1-OG 3.36Å; D201-I310 HydrophobicContact CB-CG2 4.08Å; D201-A311 HydrophobicContact CB-CB 4.43Å; D201-A311 WeakPolarHBondContact OD2-CA 3.19Å; D201-N314 PolarHBondContact OD1-ND2 2.65Å; D201-N314 VanDerWaalsContact OD2-CB 3.27Å; D201-N314 WeakPolarHBondContact OD2-CB 3.49Å; D201-N314 PolarHBondContact OD2-ND2 3.43Å
202F93.1Very high91.8Very high15 Ų1551 Ų517%0.06624%0.24CC..EExtended strand (participates in β ladder)trans-122.8140-172.2-63.4-93.1000111.7K200 L209 L210 C211 I260 I263 R264K200-F202 HydrophobicContact CG-CE2 4.45Å; F202-L209 HydrophobicContact CB-CD1 4.12Å; F202-L209 HydrophobicContact CD1-CD1 4.27Å; F202-L209 HydrophobicContact CD1-CD2 4.08Å; F202-L209 HydrophobicContact CD1-CG 4.12Å; F202-L210 CarbonylContact C-O 3.46Å; F202-L210 VanDerWaalsContact CA-O 3.25Å; F202-L210 WeakPolarHBondContact CA-O 3.37Å; F202-C211 HydrophobicContact CD1-CB 3.75Å; F202-C211 HydrophobicContact CE1-CB 3.58Å; F202-C211 HydrophobicContact CZ-CB 4.41Å; F202-I260 HydrophobicContact CE1-CD1 3.81Å; F202-I260 HydrophobicContact CZ-CD1 4.04Å; F202-I263 HydrophobicContact CB-CG2 3.98Å; F202-I263 HydrophobicContact CD1-CG2 4.11Å; F202-I263 HydrophobicContact CD2-CG2 3.53Å; F202-I263 HydrophobicContact CE1-CG2 4.46Å; F202-I263 HydrophobicContact CE2-CG2 3.96Å; F202-I263 HydrophobicContact CG-CG2 3.61Å; F202-I263 HydrophobicContact CZ-CG2 4.39Å; F202-R264 WeakPolarHBondContact CE2-O 3.3Å
203V92.6Very high92Very high12 Ų1246.8 Ų46.87%0.07323%0.228CC..EExtended strand (participates in β ladder)trans-138.7136.7174175.90000109.1L210 F212 I310 V352V203-L210 PolarHBondContact N-O 2.88Å; V203-L210 WeakPolarHBondContact O-CA 3.49Å; V203-L210 WeakPolarHBondContact O-CB 3.4Å; V203-L210 PolarHBondContact O-N 2.72Å; V203-F212 HydrophobicContact CB-CE2 4.49Å; V203-I310 HydrophobicContact CG2-CB 4.49Å; V203-I310 HydrophobicContact CG2-CD1 3.45Å; V203-I310 VanDerWaalsContact CG2-CD1 3.45Å; V203-I310 HydrophobicContact CG2-CG1 3.96Å; V203-I310 HydrophobicContact CG2-CG2 3.7Å; V203-V352 HydrophobicContact CG1-CB 4.08Å; V203-V352 HydrophobicContact CG1-CG2 3.82Å
204R91.4Very high92.1Very high149 Ų14944.4 Ų44.456%0.56222%0.216SC*.EExtended strand (participates in β ladder)trans-90.9131.4171.7-74-172.6172.6124.10.2110.9E75 E208 L209E75-R204 IonicContact OE2-NH2 3.18Å; E75-R204 PolarHBondContact OE2-NH2 2.87Å; R204-E208 CarbonylContact C-O 3.59Å; R204-E208 WeakPolarHBondContact CA-O 3.32Å; R204-L209 HydrophobicContact CG-CD1 3.7Å
205K90.6Very high92.3Very high13 Ų1349.3 Ų49.36%0.05724%0.237CC..EExtended strand (participates in β ladder)trans-128.2119.8173.6178.4-178.2177174.70108.2N95 D207 E208 L210 V352N95-K205 PolarHBondContact O-NZ 3.01Å; N95-K205 PolarHBondContact OD1-NZ 3Å; K205-D207 VanDerWaalsContact C-N 3.27Å; K205-D207 PolarHBondContact O-N 2.96Å; K205-E208 PolarHBondContact N-O 2.74Å; K205-E208 WeakPolarHBondContact O-CA 3.31Å; K205-E208 WeakPolarHBondContact O-CB 3.35Å; K205-E208 PolarHBondContact O-N 2.85Å; K205-L210 HydrophobicContact CB-CD1 3.84Å; K205-L210 HydrophobicContact CB-CG 4.39Å; K205-L210 HydrophobicContact CD-CD1 4.33Å; K205-V352 HydrophobicContact CB-CG1 4.31Å; K205-V352 HydrophobicContact CD-CG1 4.04Å; K205-V352 HydrophobicContact CG-CG1 4.19Å
206D88.2Confident92.4Very high94 Ų9444.3 Ų44.350%0.50322%0.218SC..THydrogen-bonded Turntrans48.148.2173.5-49-37.7000112.9E208 G353 G354D206-E208 PolarHBondContact O-N 2.86Å; D206-G353 VanDerWaalsContact OD1-CA 3.23Å; D206-G353 WeakPolarHBondContact OD1-CA 3.24Å; D206-G354 PolarHBondContact OD1-N 3.12Å
207D87.5Confident92.6Very high164 Ų16441.8 Ų41.888%0.87720%0.203SC*.THydrogen-bonded Turntrans71.1-6.5-175.2-54.9-38000117.1K205K205-D207 VanDerWaalsContact C-N 3.27Å; K205-D207 PolarHBondContact O-N 2.96Å
208E91.9Very high92.9Very high67 Ų6740.1 Ų40.131%0.31320%0.195SC..EExtended strand (participates in β ladder)trans-91.8137.1176.1-61.6-179.1126.200111.6F78 R204 K205 D206 H250 L252F78-E208 HydrophobicContact CD2-CB 4.37Å; F78-E208 HydrophobicContact CE2-CB 4.18Å; F78-E208 HydrophobicContact CE2-CG 4.23Å; R204-E208 CarbonylContact C-O 3.59Å; R204-E208 WeakPolarHBondContact CA-O 3.32Å; K205-E208 PolarHBondContact N-O 2.74Å; K205-E208 WeakPolarHBondContact O-CA 3.31Å; K205-E208 WeakPolarHBondContact O-CB 3.35Å; K205-E208 PolarHBondContact O-N 2.85Å; D206-E208 PolarHBondContact O-N 2.86Å; E208-H250 IonicContact OE2-CE1 3.71Å; E208-L252 HydrophobicContact CB-CD1 4Å; E208-L252 VanDerWaalsContact CD-CD1 3.42Å; E208-L252 HydrophobicContact CG-CD1 4.31Å; E208-L252 WeakPolarHBondContact OE2-CD1 3.43Å
209L93.3Very high93Very high12 Ų1238 Ų386%0.06318%0.18CC..EExtended strand (participates in β ladder)trans-89.4119.7177.9-173.165.2000110.4C77 F78 F202 R204 I263C77-L209 CarbonylContact C-O 3.51Å; C77-L209 VanDerWaalsContact CA-O 3.23Å; C77-L209 WeakPolarHBondContact CA-O 3.2Å; C77-L209 HydrophobicContact CB-CB 4.11Å; C77-L209 HydrophobicContact CB-CD2 3.98Å; C77-L209 HydrophobicContact CB-CG 4.02Å; C77-L209 WeakPolarHBondContact CB-O 3.15Å; F78-L209 PolarHBondContact N-O 3.08Å; F202-L209 HydrophobicContact CB-CD1 4.12Å; F202-L209 HydrophobicContact CD1-CD1 4.27Å; F202-L209 HydrophobicContact CD1-CD2 4.08Å; F202-L209 HydrophobicContact CD1-CG 4.12Å; R204-L209 HydrophobicContact CG-CD1 3.7Å; L209-I263 HydrophobicContact CD2-CD1 3.94Å; L209-I263 HydrophobicContact CD2-CG1 4.14Å
210L94.3Very high93.1Very high1 Ų138.2 Ų38.21%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-100.2134.1174.3-52.8177.4000109.4F78 F202 V203 K205 F212 L252 L255F78-L210 HydrophobicContact CB-CD2 4.03Å; F78-L210 CarbonylContact O-C 3.26Å; F78-L210 WeakPolarHBondContact O-CA 3.48Å; F202-L210 CarbonylContact C-O 3.46Å; F202-L210 VanDerWaalsContact CA-O 3.25Å; F202-L210 WeakPolarHBondContact CA-O 3.37Å; V203-L210 PolarHBondContact N-O 2.88Å; V203-L210 WeakPolarHBondContact O-CA 3.49Å; V203-L210 WeakPolarHBondContact O-CB 3.4Å; V203-L210 PolarHBondContact O-N 2.72Å; K205-L210 HydrophobicContact CB-CD1 3.84Å; K205-L210 HydrophobicContact CB-CG 4.39Å; K205-L210 HydrophobicContact CD-CD1 4.33Å; L210-F212 HydrophobicContact CB-CD2 4.47Å; L210-F212 HydrophobicContact CB-CE2 3.77Å; L210-F212 HydrophobicContact CB-CZ 4.26Å; L210-F212 HydrophobicContact CD1-CE2 4.27Å; L210-F212 HydrophobicContact CD1-CZ 4.22Å; L210-L252 HydrophobicContact CD2-CD1 3.95Å; L210-L252 HydrophobicContact CD2-CD2 3.51Å; L210-L252 HydrophobicContact CD2-CG 4.44Å; L210-L255 HydrophobicContact CD2-CD1 4.14Å
211C94.6Very high93.2Very high2 Ų235.8 Ų35.81%0.01417%0.171CC..EExtended strand (participates in β ladder)trans-116.6115.6175.1171.80000108.8C77 F78 T79 F80 K200 D201 F202C77-C211 HydrophobicContact CB-CB 4.47Å; F78-C211 PolarHBondContact O-N 2.88Å; T79-C211 CarbonylContact C-O 3.53Å; T79-C211 VanDerWaalsContact CA-O 3.29Å; T79-C211 WeakPolarHBondContact CA-O 3.27Å; T79-C211 HydrophobicContact CG2-CB 3.94Å; F80-C211 PolarHBondContact N-O 2.91Å; K200-C211 WeakPolarHBondContact CE-SG 3.2Å; D201-C211 WeakPolarHBondContact O-CA 3.38Å; F202-C211 HydrophobicContact CD1-CB 3.75Å; F202-C211 HydrophobicContact CE1-CB 3.58Å; F202-C211 HydrophobicContact CZ-CB 4.41Å
212F95.4Very high93.1Very high1 Ų137.8 Ų37.80%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-100.7119.7174.7-63.9-86.5000108.9F80 K200 D201 V203 L210 L303 F306 A307 I310F80-F212 HydrophobicContact CB-CD1 3.92Å; F80-F212 HydrophobicContact CB-CE1 4.23Å; F80-F212 AromaticContact CD1-CD1 3.8Å; F80-F212 HydrophobicContact CD1-CD1 3.8Å; F80-F212 HydrophobicContact CD1-CE1 4.45Å; F80-F212 HydrophobicContact CG-CD1 4.15Å; F80-F212 HydrophobicContact CG-CE1 4.49Å; K200-F212 CarbonylContact C-O 3.58Å; K200-F212 VanDerWaalsContact CA-O 3.26Å; K200-F212 WeakPolarHBondContact CA-O 3.22Å; D201-F212 PolarHBondContact N-O 3.34Å; D201-F212 PolarHBondContact O-N 3.42Å; V203-F212 HydrophobicContact CB-CE2 4.49Å; L210-F212 HydrophobicContact CB-CD2 4.47Å; L210-F212 HydrophobicContact CB-CE2 3.77Å; L210-F212 HydrophobicContact CB-CZ 4.26Å; L210-F212 HydrophobicContact CD1-CE2 4.27Å; L210-F212 HydrophobicContact CD1-CZ 4.22Å; F212-L303 HydrophobicContact CE1-CD2 4.16Å; F212-F306 HydrophobicContact CD1-CD1 4.47Å; F212-F306 HydrophobicContact CD2-CE1 4.39Å; F212-F306 HydrophobicContact CE1-CD1 4.07Å; F212-F306 HydrophobicContact CE1-CE1 4.39Å; F212-F306 HydrophobicContact CE2-CD1 4.12Å; F212-F306 AromaticContact CE2-CE1 3.73Å; F212-F306 HydrophobicContact CE2-CE1 3.73Å; F212-F306 AromaticContact CZ-CD1 3.87Å; F212-F306 HydrophobicContact CZ-CD1 3.87Å; F212-F306 AromaticContact CZ-CE1 3.73Å; F212-F306 HydrophobicContact CZ-CE1 3.73Å; F212-A307 HydrophobicContact CB-CB 3.66Å; F212-A307 HydrophobicContact CG-CB 4.37Å; F212-I310 HydrophobicContact CD2-CD1 3.88Å; F212-I310 HydrophobicContact CE2-CD1 4.11Å
213S94Very high93Very high28 Ų2844 Ų4420%0.19620%0.203CC..EExtended strand (participates in β ladder)trans-129.1105.1-178.3148.30000109.1F80 D81 V199F80-S213 PolarHBondContact O-N 3.31Å; D81-S213 VanDerWaalsContact CA-O 3.24Å; D81-S213 WeakPolarHBondContact CA-O 3.25Å; D81-S213 WeakPolarHBondContact OD1-CB 3.5Å; D81-S213 PolarHBondContact OD1-OG 2.62Å; V199-S213 CarbonylContact O-C 3.52Å; V199-S213 WeakPolarHBondContact O-CA 3.28Å
214V94.2Very high93Very high7 Ų747.2 Ų47.24%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-122.5137-174.8-175.90000109.3F80 V199 P216 I282 A307F80-V214 HydrophobicContact CD1-CG2 4.49Å; F80-V214 HydrophobicContact CE1-CG2 4.23Å; V199-V214 PolarHBondContact N-O 2.85Å; V199-V214 PolarHBondContact O-N 3.49Å; V214-P216 WeakPolarHBondContact O-CD 3.13Å; V214-I282 HydrophobicContact CG1-CD1 4Å; V214-A307 HydrophobicContact CB-CB 4.31Å; V214-A307 HydrophobicContact CG2-CB 3.49Å; V214-A307 VanDerWaalsContact CG2-CB 3.49Å
215K93.9Very high93.1Very high138 Ų13842.2 Ų42.260%0.621%0.209SC*.  trans-116.583.8173.7-171.2177.9-179175.40109.6N196N196-K215 WeakPolarHBondContact O-CE 3.34Å
216P94.9Very high93.2Very high1 Ų143 Ų431%0.00621%0.214CC..  trans-59.3142.2175.925.8-36.7000111.6N196 E197 V214 I218 A219 T280N196-P216 WeakPolarHBondContact CA-O 3.32Å; N196-P216 PolarHBondContact N-O 2.83Å; E197-P216 VanDerWaalsContact O-CD 3.25Å; E197-P216 WeakPolarHBondContact O-CD 3.48Å; V214-P216 WeakPolarHBondContact O-CD 3.13Å; P216-I218 VanDerWaalsContact C-N 3.32Å; P216-A219 HydrophobicContact CG-CB 4.2Å; P216-T280 HydrophobicContact CB-CG2 4.04Å; P216-T280 HydrophobicContact CG-CG2 4.12Å
217Y95.8Very high93.5Very high32 Ų3242.5 Ų42.513%0.12522%0.216CC..SBendtrans-62.7-44.7173.2176.2-118.9000110.2F171 D172 R195 N196 F281 V283F171-Y217 HydrophobicContact CB-CD1 4.34Å; F171-Y217 HydrophobicContact CB-CE1 4.34Å; F171-Y217 HydrophobicContact CD2-CD1 4.22Å; D172-Y217 PolarHBondContact OD1-OH 3.26Å; D172-Y217 PolarHBondContact OD2-OH 3.18Å; R195-Y217 VanDerWaalsContact CA-O 3.25Å; R195-Y217 WeakPolarHBondContact CA-O 3.33Å; R195-Y217 PolarHBondContact NH1-OH 2.86Å; N196-Y217 PolarHBondContact N-O 2.86Å; N196-Y217 VanDerWaalsContact N-O 3.1Å; Y217-F281 WeakPolarHBondContact CB-O 3.11Å; Y217-F281 PolarHBondContact N-O 2.96Å; Y217-V283 HydrophobicContact CD1-CG2 3.91Å; Y217-V283 HydrophobicContact CD2-CG2 4.41Å; Y217-V283 HydrophobicContact CG-CG2 3.77Å
218I95.5Very high93.8Very high0 Ų037.7 Ų37.70%019%0.194CC..EExtended strand (participates in β ladder)trans-134.2134174.7-62.1163.9000109L175 L193 F194 R195 P216 T280 F281L175-I218 HydrophobicContact CD2-CD1 3.73Å; L175-I218 HydrophobicContact CD2-CG2 3.81Å; L193-I218 HydrophobicContact CD1-CG2 3.81Å; L193-I218 HydrophobicContact CD2-CG2 4.22Å; L193-I218 HydrophobicContact CG-CG2 3.67Å; F194-I218 CarbonylContact O-C 3.58Å; F194-I218 WeakPolarHBondContact O-CA 3.41Å; R195-I218 HydrophobicContact CG-CG1 4.21Å; P216-I218 VanDerWaalsContact C-N 3.32Å; I218-T280 CarbonylContact O-C 3.55Å; I218-T280 WeakPolarHBondContact O-CA 3.48Å; I218-F281 HydrophobicContact CB-CB 4.11Å; I218-F281 HydrophobicContact CB-CD2 3.89Å; I218-F281 HydrophobicContact CB-CG 4.37Å; I218-F281 HydrophobicContact CG2-CD2 3.93Å; I218-F281 HydrophobicContact CG2-CE2 4.49Å; I218-F281 PolarHBondContact N-O 3.03Å; I218-F281 PolarHBondContact O-N 3.49Å
219A94.3Very high93.8Very high2 Ų235.7 Ų35.72%0.01719%0.185CC..EExtended strand (participates in β ladder)trans-117.3129.8168.500000109.6F194 P216 T280F194-A219 PolarHBondContact N-O 3.06Å; F194-A219 PolarHBondContact O-N 3Å; P216-A219 HydrophobicContact CG-CB 4.2Å; A219-T280 HydrophobicContact CB-CG2 4.3Å
220L94.3Very high93.7Very high8 Ų835.6 Ų35.64%0.04219%0.185CC..EExtended strand (participates in β ladder)trans-98.1128.2173.2-67177.5000109.6L175 F179 R192 L193 H278 T279 F281L175-L220 HydrophobicContact CD1-CD1 4.04Å; L175-L220 HydrophobicContact CD1-CD2 4.39Å; F179-L220 HydrophobicContact CZ-CD2 4.04Å; R192-L220 WeakPolarHBondContact O-CA 3.44Å; L193-L220 HydrophobicContact CB-CD2 4.21Å; L193-L220 HydrophobicContact CD1-CD2 4.31Å; L193-L220 HydrophobicContact CG-CD2 4.36Å; L220-H278 WeakPolarHBondContact O-CB 3.34Å; L220-H278 PolarHBondContact O-N 3.13Å; L220-T279 PolarHBondContact N-O 3.3Å; L220-T279 PolarHBondContact O-N 3.08Å; L220-F281 HydrophobicContact CD1-CE2 3.62Å; L220-F281 HydrophobicContact CD1-CZ 4.14Å; L220-F281 HydrophobicContact CG-CE2 3.92Å
221W93.3Very high93.6Very high0 Ų039.5 Ų39.50%021%0.206CC..EExtended strand (participates in β ladder)trans-114.1143.4-175-67.471.4000111.4Q191 R192 F194 E197 Y267 P268 A270 F274 P275 I276 I277Q191-W221 CarbonylContact C-O 3.56Å; Q191-W221 WeakPolarHBondContact CA-O 3.38Å; R192-W221 HydrophobicContact CB-CB 4.42Å; R192-W221 PolarHBondContact N-O 3.37Å; R192-W221 PolarHBondContact O-N 3.49Å; F194-W221 AromaticContact CD2-CD1 3.35Å; F194-W221 HydrophobicContact CD2-CD2 4.48Å; F194-W221 AromaticContact CD2-CG 3.94Å; F194-W221 HydrophobicContact CD2-CG 3.94Å; F194-W221 AromaticContact CD2-NE1 3.49Å; F194-W221 HydrophobicContact CE2-CG 4.19Å; E197-W221 WeakPolarHBondContact OE2-CZ2 3.39Å; E197-W221 PolarHBondContact OE2-NE1 2.84Å; W221-Y267 HydrophobicContact CH2-CD1 4.02Å; W221-Y267 AromaticContact CH2-CE1 3.38Å; W221-Y267 HydrophobicContact CH2-CE1 3.38Å; W221-Y267 HydrophobicContact CH2-CE2 4.49Å; W221-Y267 AromaticContact CH2-CZ 3.64Å; W221-Y267 HydrophobicContact CZ3-CD1 4.39Å; W221-Y267 AromaticContact CZ3-CE1 3.41Å; W221-Y267 HydrophobicContact CZ3-CE1 3.41Å; W221-Y267 VanDerWaalsContact CZ3-CE1 3.41Å; W221-Y267 AromaticContact CZ3-CZ 3.68Å; W221-Y267 WeakPolarHBondContact CZ3-OH 3.45Å; W221-P268 HydrophobicContact CH2-CB 4.08Å; W221-P268 HydrophobicContact CH2-CG 4.3Å; W221-P268 HydrophobicContact CZ2-CB 3.72Å; W221-P268 HydrophobicContact CZ2-CG 3.89Å; W221-A270 HydrophobicContact CD2-CB 3.98Å; W221-A270 HydrophobicContact CE3-CB 3.47Å; W221-A270 VanDerWaalsContact CE3-CB 3.47Å; W221-A270 HydrophobicContact CH2-CB 3.62Å; W221-A270 HydrophobicContact CZ2-CB 4.13Å; W221-A270 HydrophobicContact CZ3-CB 3.26Å; W221-F274 HydrophobicContact CB-CB 4.11Å; W221-P275 WeakPolarHBondContact CZ3-O 3.35Å; W221-I276 CarbonylContact C-O 3.48Å; W221-I276 WeakPolarHBondContact CA-O 3.44Å; W221-I277 HydrophobicContact CD2-CG1 3.77Å; W221-I277 VanDerWaalsContact CE2-CG1 3.46Å; W221-I277 HydrophobicContact CE3-CG1 3.88Å; W221-I277 HydrophobicContact CH2-CD1 3.84Å; W221-I277 HydrophobicContact CH2-CG1 3.53Å; W221-I277 HydrophobicContact CZ2-CD1 3.66Å; W221-I277 HydrophobicContact CZ2-CG1 3.35Å; W221-I277 HydrophobicContact CZ3-CG1 3.78Å
222K92.2Very high93.4Very high47 Ų4744.1 Ų44.120%0.20424%0.237CC..EExtended strand (participates in β ladder)trans-128.5166.1179.1-78.4-161.9-177.3167.30111.9Q191 F274 P275 I276 H278Q191-K222 HydrophobicContact CG-CD 4.42Å; Q191-K222 HydrophobicContact CG-CG 3.97Å; K222-F274 CarbonylContact O-C 3.54Å; K222-F274 WeakPolarHBondContact O-CA 3.45Å; K222-P275 WeakPolarHBondContact O-CD 3.35Å; K222-I276 PolarHBondContact N-O 3.01Å; K222-I276 PolarHBondContact O-N 2.85Å; K222-H278 HydrophobicContact CB-CB 4.41Å; K222-H278 HydrophobicContact CD-CB 4.34Å; K222-H278 VanDerWaalsContact CD-CD2 3.43Å; K222-H278 WeakPolarHBondContact CD-CD2 3.47Å; K222-H278 WeakPolarHBondContact CE-CD2 3.46Å; K222-H278 WeakPolarHBondContact CE-NE2 3.21Å; K222-H278 HydrophobicContact CG-CB 4.08Å; K222-H278 PolarHBondContact NZ-CD2 2.87Å; K222-H278 VanDerWaalsContact NZ-CD2 3.28Å; K222-H278 PolarHBondContact NZ-NE2 3.44Å
223R91.6Very high93.3Very high147 Ų14749.6 Ų49.656%0.55527%0.266SS*.SBendtrans-77.3-32.4176.3-48.7-155.8177.6165.2-3.5113.1N190 S273 F274N190-R223 PolarHBondContact OD1-NE 3.34Å; R223-S273 WeakPolarHBondContact CG-O 3.42Å; R223-F274 HydrophobicContact CG-CD1 3.82Å; R223-F274 HydrophobicContact CG-CE1 3.74Å; R223-F274 HydrophobicContact CG-CZ 4.43Å
224S91.9Very high93.1Very high78 Ų7852.6 Ų52.655%0.54528%0.277SS..SBendtrans-132.5159.1-174.864.40000110.8
225L93.2Very high93Very high44 Ų4453 Ų5323%0.2328%0.279CS..PPolyproline II helixtrans-61.3152.4173.7-67.9174.2000110.5I276 V312 L316 I328L225-I276 HydrophobicContact CD2-CD1 3.88Å; L225-I276 HydrophobicContact CD2-CG1 4.24Å; L225-I276 HydrophobicContact CD2-CG2 3.93Å; L225-I276 HydrophobicContact CG-CD1 3.92Å; L225-V312 HydrophobicContact CD2-CG1 4.02Å; L225-L316 HydrophobicContact CD1-CD1 4.13Å; L225-L316 HydrophobicContact CD2-CD1 3.89Å; L225-L316 HydrophobicContact CG-CD1 4.28Å; L225-I328 HydrophobicContact CD1-CG1 4.3Å; L225-I328 HydrophobicContact CD2-CG1 4.01Å; L225-I328 HydrophobicContact CD2-CG2 4.29Å
226L93.4Very high92.8Very high30 Ų3049.7 Ų49.716%0.15727%0.27CS..PPolyproline II helixtrans-65.1144.6164.9-85.6177.6000110.2H278 V329 Q331L226-H278 VanDerWaalsContact CD1-CD2 3.44Å; L226-H278 WeakPolarHBondContact CD1-CD2 3.19Å; L226-H278 WeakPolarHBondContact CD1-NE2 3.39Å; L226-H278 VanDerWaalsContact CD2-CD2 3.42Å; L226-H278 WeakPolarHBondContact CD2-CD2 3.44Å; L226-H278 WeakPolarHBondContact CD2-NE2 3.28Å; L226-H278 WeakPolarHBondContact CG-CD2 3.44Å; L226-H278 VanDerWaalsContact CG-NE2 3.34Å; L226-H278 WeakPolarHBondContact CG-NE2 3.41Å; L226-V329 HydrophobicContact CB-CB 3.77Å; L226-V329 HydrophobicContact CB-CG1 4.28Å; L226-V329 HydrophobicContact CD1-CB 4.14Å; L226-V329 HydrophobicContact CD1-CG1 3.83Å; L226-Q331 HydrophobicContact CD1-CG 4.33Å
227P93.4Very high92.7Very high83 Ų8355.2 Ų55.254%0.53930%0.296SS..PPolyproline II helixtrans-61.5145.3170.627.8-34.7000110.2
228P94.2Very high92.6Very high63 Ų6353.8 Ų53.841%0.40929%0.291SS..PPolyproline II helixtrans-60.1144.2174.826.4-34.1000110.7P327P228-P327 HydrophobicContact CB-CB 4.35Å; P228-P327 HydrophobicContact CB-CG 4.37Å
229L93Very high92.4Very high25 Ų2560.8 Ų60.813%0.13132%0.317CS..SBendtrans-91.7-35.8-178.8-65.2170.4000111.5P106 K108 I109 V329 V344 W363P106-L229 HydrophobicContact CB-CD1 4.28Å; P106-L229 HydrophobicContact CG-CD1 3.83Å; K108-L229 HydrophobicContact CB-CD2 4.34Å; K108-L229 VanDerWaalsContact CD-O 3.27Å; K108-L229 WeakPolarHBondContact CD-O 3.36Å; K108-L229 WeakPolarHBondContact CE-O 3.23Å; K108-L229 PolarHBondContact NZ-O 3.42Å; I109-L229 HydrophobicContact CG1-CD2 4.34Å; L229-V329 HydrophobicContact CD1-CG1 3.72Å; L229-V329 HydrophobicContact CG-CG1 4.15Å; L229-V329 HydrophobicContact CG-CG2 4.26Å; L229-V344 HydrophobicContact CD1-CG1 3.38Å; L229-W363 HydrophobicContact CB-CH2 3.97Å; L229-W363 HydrophobicContact CB-CZ3 4.28Å; L229-W363 HydrophobicContact CD1-CE3 4.33Å; L229-W363 HydrophobicContact CD1-CZ3 4.04Å
230S90.8Very high92.2Very high10 Ų1067.3 Ų67.37%0.0735%0.347CS..SBendtrans-95.4146.6172.7-71.90000111.5E234 I361 W363S230-E234 VanDerWaalsContact CA-OE2 3.28Å; S230-E234 WeakPolarHBondContact CA-OE2 3.5Å; S230-E234 WeakPolarHBondContact CB-OE2 3.41Å; S230-E234 PolarHBondContact OG-OE2 3.09Å; S230-I361 WeakPolarHBondContact OG-CD1 3.36Å; S230-W363 WeakPolarHBondContact OG-CH2 3.38Å; S230-W363 WeakPolarHBondContact OG-CZ2 3.49Å
231D91.7Very high92Very high83 Ų8371 Ų7144%0.44436%0.364SS..  trans-73.5153.1177.3-68.9-8.1000110.1K108 N233 E234 V235K108-D231 IonicContact NZ-OD1 2.8Å; K108-D231 PolarHBondContact NZ-OD1 3.22Å; K108-D231 VanDerWaalsContact NZ-OD1 3.1Å; D231-N233 PolarHBondContact O-N 3.22Å; D231-N233 VanDerWaalsContact O-N 3.14Å; D231-E234 HydrophobicContact CB-CG 4.29Å; D231-E234 PolarHBondContact N-OE2 3.07Å; D231-E234 WeakPolarHBondContact O-CB 3.37Å; D231-E234 PolarHBondContact O-N 3.29Å; D231-E234 VanDerWaalsContact O-N 3.09Å; D231-V235 PolarHBondContact O-N 2.71Å
232P90.3Very high91.8Very high100 Ų10079.5 Ų79.565%0.64940%0.401SS*.Hα-helixtrans-58.8-32.1-175.222.3-33.8000113V235 T236P232-V235 PolarHBondContact O-N 2.71Å; P232-T236 WeakPolarHBondContact O-CG2 3.24Å; P232-T236 PolarHBondContact O-N 3.03Å
233N92.4Very high91.7Very high115 Ų11578.8 Ų78.862%0.61540%0.399SS*.Hα-helixtrans-65.4-47.8176.4-64.9-15.7000111.3D231 V235 T236 E237D231-N233 PolarHBondContact O-N 3.22Å; D231-N233 VanDerWaalsContact O-N 3.14Å; N233-V235 VanDerWaalsContact C-N 3.27Å; N233-V235 PolarHBondContact O-N 3.4Å; N233-T236 PolarHBondContact O-N 3.47Å; N233-T236 PolarHBondContact O-OG1 3.32Å; N233-E237 WeakPolarHBondContact O-CG 3.3Å; N233-E237 PolarHBondContact O-N 3.23Å
234E90.5Very high91.7Very high92 Ų9273.9 Ų73.943%0.4339%0.385SS..Hα-helixtrans-57.5-42.7175.3-61.5178.8162.300110.8S230 D231 T236 E237 T238S230-E234 VanDerWaalsContact CA-OE2 3.28Å; S230-E234 WeakPolarHBondContact CA-OE2 3.5Å; S230-E234 WeakPolarHBondContact CB-OE2 3.41Å; S230-E234 PolarHBondContact OG-OE2 3.09Å; D231-E234 HydrophobicContact CB-CG 4.29Å; D231-E234 PolarHBondContact N-OE2 3.07Å; D231-E234 WeakPolarHBondContact O-CB 3.37Å; D231-E234 PolarHBondContact O-N 3.29Å; D231-E234 VanDerWaalsContact O-N 3.09Å; E234-T236 VanDerWaalsContact C-N 3.31Å; E234-T236 PolarHBondContact O-N 2.96Å; E234-E237 PolarHBondContact O-N 3.48Å; E234-E237 VanDerWaalsContact O-N 3.14Å; E234-T238 WeakPolarHBondContact O-CG2 3.4Å; E234-T238 PolarHBondContact O-N 3.41Å
235V91.8Very high91.7Very high15 Ų1575.1 Ų75.19%0.09139%0.386CS..Hα-helixtrans-60-42.3175.9177.30000111.1D231 P232 N233 E237 T238 N348 V358 I361D231-V235 PolarHBondContact O-N 2.71Å; P232-V235 PolarHBondContact O-N 2.71Å; N233-V235 VanDerWaalsContact C-N 3.27Å; N233-V235 PolarHBondContact O-N 3.4Å; V235-E237 VanDerWaalsContact C-N 3.34Å; V235-T238 WeakPolarHBondContact O-CB 3.48Å; V235-T238 PolarHBondContact O-N 3.45Å; V235-T238 PolarHBondContact O-OG1 3.25Å; V235-N348 HydrophobicContact CG1-CB 3.9Å; V235-N348 VanDerWaalsContact CG1-CG 3.49Å; V235-V358 HydrophobicContact CG1-CG1 3.54Å; V235-I361 HydrophobicContact CG2-CD1 4.3Å
236T91Very high91.6Very high68 Ų6873.5 Ų73.542%0.41738%0.378SS..Hα-helixtrans-69.1-30.9176.561.10000113.2P232 N233 E234 T238 R239P232-T236 WeakPolarHBondContact O-CG2 3.24Å; P232-T236 PolarHBondContact O-N 3.03Å; N233-T236 PolarHBondContact O-N 3.47Å; N233-T236 PolarHBondContact O-OG1 3.32Å; E234-T236 VanDerWaalsContact C-N 3.31Å; E234-T236 PolarHBondContact O-N 2.96Å; T236-T238 VanDerWaalsContact C-N 3.28Å; T236-T238 PolarHBondContact O-N 3.37Å; T236-R239 WeakPolarHBondContact O-CB 3.13Å; T236-R239 WeakPolarHBondContact O-CD 3.37Å; T236-R239 WeakPolarHBondContact O-CG 3.27Å; T236-R239 PolarHBondContact O-N 3.14Å
237E92.6Very high91.5Very high117 Ų11779.5 Ų79.555%0.54741%0.405SS..Hα-helixtrans-68.9-26.3177.6-74.1176-177.900112.6N233 E234 V235 R239 H240N233-E237 WeakPolarHBondContact O-CG 3.3Å; N233-E237 PolarHBondContact O-N 3.23Å; E234-E237 PolarHBondContact O-N 3.48Å; E234-E237 VanDerWaalsContact O-N 3.14Å; V235-E237 VanDerWaalsContact C-N 3.34Å; E237-R239 PolarHBondContact O-N 3.13Å; E237-H240 PolarHBondContact O-N 3.47Å
238T92.4Very high91.5Very high3 Ų380.8 Ų80.82%0.01841%0.413CS..THydrogen-bonded Turntrans-55-21.1175.3680000114E234 V235 T236 H240 E241 K359 I361E234-T238 WeakPolarHBondContact O-CG2 3.4Å; E234-T238 PolarHBondContact O-N 3.41Å; V235-T238 WeakPolarHBondContact O-CB 3.48Å; V235-T238 PolarHBondContact O-N 3.45Å; V235-T238 PolarHBondContact O-OG1 3.25Å; T236-T238 VanDerWaalsContact C-N 3.28Å; T236-T238 PolarHBondContact O-N 3.37Å; T238-H240 PolarHBondContact O-N 2.94Å; T238-E241 PolarHBondContact O-N 3.14Å; T238-K359 VanDerWaalsContact O-CD 3.27Å; T238-K359 WeakPolarHBondContact O-CD 3.22Å; T238-K359 VanDerWaalsContact O-CE 3.24Å; T238-K359 WeakPolarHBondContact O-CE 3.39Å; T238-K359 PolarHBondContact O-NZ 3.02Å; T238-K359 PolarHBondContact OG1-N 3.21Å; T238-I361 HydrophobicContact CG2-CD1 3.96Å; T238-I361 HydrophobicContact CG2-CG1 4.03Å
239R91.1Very high91.4Very high147 Ų14779.8 Ų79.856%0.55541%0.406SS*.THydrogen-bonded Turntrans-59.7-30.2174.778.3-170.9170.7167.9-6.5113.3T236 E237 G357T236-R239 WeakPolarHBondContact O-CB 3.13Å; T236-R239 WeakPolarHBondContact O-CD 3.37Å; T236-R239 WeakPolarHBondContact O-CG 3.27Å; T236-R239 PolarHBondContact O-N 3.14Å; E237-R239 PolarHBondContact O-N 3.13Å; R239-G357 WeakPolarHBondContact CA-O 3.4Å
240H90.5Very high91.4Very high138 Ų13883.5 Ų83.564%0.63942%0.422SS*.THydrogen-bonded Turntrans-91.3-18.4-175.4-63.8-50.6000112.7E237 T238E237-H240 PolarHBondContact O-N 3.47Å; T238-H240 PolarHBondContact O-N 2.94Å
241E90.2Very high91.4Very high87 Ų8784.2 Ų84.241%0.40743%0.426SS..SBendtrans-65.2158.5176-64.5-169.4-163.100110.2V100 T238 K359V100-E241 WeakPolarHBondContact CG1-OE2 3.22Å; V100-E241 HydrophobicContact CG2-CB 4.4Å; V100-E241 WeakPolarHBondContact CG2-OE2 3.47Å; T238-E241 PolarHBondContact O-N 3.14Å; E241-K359 PolarHBondContact O-NZ 2.59Å
242K89.8Confident91.5Very high178 Ų17880.5 Ų80.577%0.77441%0.406SS*.PPolyproline II helixtrans-90.3134.3172.9-167.9178.7173.1-179.10109.2
243L89.4Confident91.7Very high32 Ų3279.9 Ų79.917%0.16840%0.401CS..PPolyproline II helixtrans-65.4150.8169.9-77177.3000110.5K98 D245 K359K98-L243 HydrophobicContact CG-CD1 4Å; K98-L243 HydrophobicContact CG-CD2 4.07Å; L243-D245 PolarHBondContact O-N 3.41Å; L243-K359 HydrophobicContact CD2-CD 3.6Å; L243-K359 HydrophobicContact CD2-CG 4.26Å; L243-K359 HydrophobicContact CG-CD 4.19Å
244V92.1Very high91.7Very high43 Ų4376.4 Ų76.426%0.26138%0.382SS..PPolyproline II helixtrans-63.2122.1175.8-176.40000109.4K91 L94 N95 I246K91-V244 HydrophobicContact CB-CG1 3.66Å; K91-V244 HydrophobicContact CD-CG1 4.2Å; K91-V244 HydrophobicContact CG-CG1 3.81Å; L94-V244 HydrophobicContact CB-CG2 4.25Å; L94-V244 HydrophobicContact CD1-CG2 4.11Å; N95-V244 PolarHBondContact ND2-O 3.34Å; V244-I246 HydrophobicContact CG1-CG2 4.39Å
245D91.3Very high91.9Very high105 Ų10572.6 Ų72.656%0.56137%0.365SS*.PPolyproline II helixtrans-88.5137.1173.4-171.17.5000109.9L243 H247L243-D245 PolarHBondContact O-N 3.41Å; D245-H247 WeakPolarHBondContact OD1-CB 3.44Å; D245-H247 PolarHBondContact OD1-N 2.93Å
246I91.8Very high92Very high10 Ų1076.2 Ų76.25%0.05138%0.377CS..  trans-124.210.5-178.157.4163000112.5K91 Q92 N95 V244 V249 P251K91-I246 HydrophobicContact CB-CG2 3.8Å; Q92-I246 HydrophobicContact CG-CD1 4.4Å; N95-I246 HydrophobicContact CB-CD1 4.37Å; N95-I246 HydrophobicContact CB-CG2 4.49Å; V244-I246 HydrophobicContact CG1-CG2 4.39Å; I246-V249 WeakPolarHBondContact O-CB 3.4Å; I246-V249 PolarHBondContact O-N 3.05Å; I246-P251 VanDerWaalsContact CD1-CA 3.41Å; I246-P251 HydrophobicContact CD1-CB 3.76Å; I246-P251 HydrophobicContact CD1-CG 3.73Å; I246-P251 HydrophobicContact CG1-CG 4.4Å
247H91.3Very high92Very high156 Ų15679.4 Ų79.472%0.72239%0.385SS*.THydrogen-bonded Turntrans-54.6136.7173.2-171.180.8000111.2D245D245-H247 WeakPolarHBondContact OD1-CB 3.44Å; D245-H247 PolarHBondContact OD1-N 2.93Å
248P92.8Very high91.9Very high110 Ų11077.3 Ų77.371%0.71438%0.375SS*.THydrogen-bonded Turncis-89.74.510.636.6-36.9000115.8
249V92.6Very high91.7Very high42 Ų4281 Ų8126%0.25540%0.401SS..SBendtrans-78.4133.6-177.1-173.90000109.9E88 I246 V253E88-V249 HydrophobicContact CG-CB 4.35Å; E88-V249 HydrophobicContact CG-CG2 4.18Å; I246-V249 WeakPolarHBondContact O-CB 3.4Å; I246-V249 PolarHBondContact O-N 3.05Å; V249-V253 HydrophobicContact CG1-CG1 3.61Å
250H92.4Very high91.4Very high102 Ų10275.1 Ų75.147%0.47238%0.38SS..  trans-73.6134.4173.5-167.6-93.5000110.1E208 L252 V253E208-H250 IonicContact OE2-CE1 3.71Å; H250-L252 PolarHBondContact ND1-N 3.3Å; H250-L252 PolarHBondContact O-N 2.85Å; H250-L252 VanDerWaalsContact O-N 3.1Å; H250-V253 HydrophobicContact CB-CB 4.36Å; H250-V253 WeakPolarHBondContact O-CB 3.42Å; H250-V253 WeakPolarHBondContact O-CG1 3.44Å; H250-V253 PolarHBondContact O-N 3.16Å; H250-V253 VanDerWaalsContact O-N 3.08Å
251P92.2Very high90.9Very high25 Ų2571.1 Ų71.116%0.16237%0.368CS..THydrogen-bonded Turntrans-53.8-35.6-178.1-20.625.1000114.5Q92 L96 I246Q92-P251 PolarHBondContact NE2-O 2.91Å; L96-P251 HydrophobicContact CD2-CB 3.77Å; L96-P251 HydrophobicContact CG-CB 4.48Å; I246-P251 VanDerWaalsContact CD1-CA 3.41Å; I246-P251 HydrophobicContact CD1-CB 3.76Å; I246-P251 HydrophobicContact CD1-CG 3.73Å; I246-P251 HydrophobicContact CG1-CG 4.4Å
252L93.4Very high90.6Very high5 Ų573.3 Ų73.33%0.02638%0.378CS..THydrogen-bonded Turntrans-92.75-176.1-50.4-166.1000114.8F78 L96 E208 L210 H250 D254 L255F78-L252 HydrophobicContact CB-CD1 4.41Å; F78-L252 HydrophobicContact CD1-CB 4.19Å; F78-L252 HydrophobicContact CD1-CD1 4.24Å; F78-L252 HydrophobicContact CD2-CD1 3.43Å; F78-L252 VanDerWaalsContact CD2-CD1 3.43Å; F78-L252 HydrophobicContact CE1-CB 4.28Å; F78-L252 HydrophobicContact CE1-CD1 4.33Å; F78-L252 HydrophobicContact CE2-CD1 3.54Å; F78-L252 HydrophobicContact CG-CB 4.43Å; F78-L252 HydrophobicContact CG-CD1 3.79Å; F78-L252 HydrophobicContact CZ-CD1 3.99Å; L96-L252 HydrophobicContact CD2-CD2 3.36Å; E208-L252 HydrophobicContact CB-CD1 4Å; E208-L252 VanDerWaalsContact CD-CD1 3.42Å; E208-L252 HydrophobicContact CG-CD1 4.31Å; E208-L252 WeakPolarHBondContact OE2-CD1 3.43Å; L210-L252 HydrophobicContact CD2-CD1 3.95Å; L210-L252 HydrophobicContact CD2-CD2 3.51Å; L210-L252 HydrophobicContact CD2-CG 4.44Å; H250-L252 PolarHBondContact ND1-N 3.3Å; H250-L252 PolarHBondContact O-N 2.85Å; H250-L252 VanDerWaalsContact O-N 3.1Å; L252-D254 PolarHBondContact O-N 3.1Å; L252-D254 VanDerWaalsContact O-N 3.15Å; L252-L255 HydrophobicContact CD2-CD1 3.86Å; L252-L255 PolarHBondContact O-N 3.37Å; L252-L255 VanDerWaalsContact O-N 3.11Å
253V93.3Very high90.3Very high87 Ų8768.8 Ų68.853%0.52736%0.361SS..THydrogen-bonded Turntrans-57.7-34.7-169.269.50000113.8V249 H250V249-V253 HydrophobicContact CG1-CG1 3.61Å; H250-V253 HydrophobicContact CB-CB 4.36Å; H250-V253 WeakPolarHBondContact O-CB 3.42Å; H250-V253 WeakPolarHBondContact O-CG1 3.44Å; H250-V253 PolarHBondContact O-N 3.16Å; H250-V253 VanDerWaalsContact O-N 3.08Å
254D93.6Very high90.2Very high43 Ų4375.8 Ų75.823%0.2339%0.386CS..THydrogen-bonded Turntrans-90-15-176.2-57.3-58.2000113.1S85 A87 Q92 L252S85-D254 WeakPolarHBondContact O-CB 3.2Å; A87-D254 WeakPolarHBondContact CB-OD2 3.08Å; A87-D254 PolarHBondContact N-OD2 3.44Å; Q92-D254 PolarHBondContact NE2-OD2 3.09Å; Q92-D254 PolarHBondContact OE1-OD2 3.11Å; Q92-D254 VanDerWaalsContact OE1-OD2 3.11Å; L252-D254 PolarHBondContact O-N 3.1Å; L252-D254 VanDerWaalsContact O-N 3.15Å
255L94.3Very high90Very high12 Ų1276 Ų766%0.06339%0.389CS..SBendtrans-74.9134.8-176-62-173.6000111.2F78 F80 E84 L210 L252 K257F78-L255 HydrophobicContact CB-CB 3.88Å; F78-L255 HydrophobicContact CB-CD1 3.96Å; F78-L255 HydrophobicContact CD1-CB 4.3Å; F80-L255 HydrophobicContact CB-CD2 3.97Å; F80-L255 HydrophobicContact CD2-CD2 4.15Å; E84-L255 VanDerWaalsContact OE2-CA 3.23Å; E84-L255 WeakPolarHBondContact OE2-CA 3.5Å; L210-L255 HydrophobicContact CD2-CD1 4.14Å; L252-L255 HydrophobicContact CD2-CD1 3.86Å; L252-L255 PolarHBondContact O-N 3.37Å; L252-L255 VanDerWaalsContact O-N 3.11Å; L255-K257 PolarHBondContact O-N 3.25Å
256R92.9Very high89.9Confident90 Ų9074.5 Ų74.534%0.3438%0.38SS..EExtended strand (participates in β ladder)trans-62.4125.6173-97.1-173.5-67.8145.7-1.9111.3F78 T79 D81 T83 E84 E258F78-R256 CarbonylContact C-O 3.35Å; F78-R256 VanDerWaalsContact CA-O 3.29Å; F78-R256 WeakPolarHBondContact CA-O 3.47Å; T79-R256 PolarHBondContact N-O 2.84Å; T79-R256 PolarHBondContact O-N 2.7Å; T79-R256 VanDerWaalsContact OG1-CB 3.26Å; T79-R256 WeakPolarHBondContact OG1-CB 3.37Å; T79-R256 PolarHBondContact OG1-O 2.86Å; T79-R256 VanDerWaalsContact OG1-O 3.11Å; D81-R256 IonicContact OD2-CZ 2.91Å; D81-R256 IonicContact OD2-NH1 3.47Å; D81-R256 IonicContact OD2-NH2 3.7Å; D81-R256 PolarHBondContact OD2-NH2 3.4Å; T83-R256 PolarHBondContact OG1-NH2 2.98Å; T83-R256 VanDerWaalsContact OG1-NH2 3.16Å; E84-R256 WeakPolarHBondContact OE1-CB 3.24Å; E84-R256 WeakPolarHBondContact OE1-CD 3.34Å; E84-R256 WeakPolarHBondContact OE1-CG 3.36Å; E84-R256 IonicContact OE1-CZ 3.87Å; E84-R256 IonicContact OE1-NE 2.84Å; E84-R256 PolarHBondContact OE1-NE 3Å; E84-R256 IonicContact OE1-NH2 3.6Å; E84-R256 PolarHBondContact OE2-N 3.36Å; R256-E258 HydrophobicContact CB-CG 4.46Å; R256-E258 IonicContact CZ-OE1 2.71Å; R256-E258 IonicContact NH1-OE1 2.72Å; R256-E258 PolarHBondContact NH1-OE1 3.03Å
257K92.9Very high89.7Confident135 Ų13576.1 Ų76.159%0.58739%0.386SS*.EExtended strand (participates in β ladder)trans-87.7116.6171.3-171.5174.1-177.6172.10109.5C77 F78 L255C77-K257 WeakPolarHBondContact O-CA 3.18Å; F78-K257 HydrophobicContact CD1-CB 4.14Å; F78-K257 HydrophobicContact CD1-CG 4.48Å; F78-K257 HydrophobicContact CE1-CB 4.07Å; F78-K257 HydrophobicContact CE1-CD 4.18Å; F78-K257 HydrophobicContact CE1-CG 4.2Å; F78-K257 HydrophobicContact CZ-CD 4.27Å; L255-K257 PolarHBondContact O-N 3.25Å
258E90Very high89.3Confident74 Ų7469.4 Ų69.435%0.34636%0.356SS..EExtended strand (participates in β ladder)trans-125.4148.3-179.3-62.6-173175.300110.5C77 T79 R256C77-E258 PolarHBondContact N-O 2.88Å; C77-E258 PolarHBondContact O-N 2.88Å; T79-E258 HydrophobicContact CG2-CB 4.07Å; T79-E258 HydrophobicContact CG2-CG 4.13Å; R256-E258 HydrophobicContact CB-CG 4.46Å; R256-E258 IonicContact CZ-OE1 2.71Å; R256-E258 IonicContact NH1-OE1 2.72Å; R256-E258 PolarHBondContact NH1-OE1 3.03Å
259S87.1Confident88.5Confident81 Ų8170.6 Ų70.657%0.56636%0.362SS*.EExtended strand (participates in β ladder)trans-94.3117.9172.7170.30000108.4S74S74-S259 WeakPolarHBondContact CB-OG 2.87Å
260I84.7Confident87.4Confident23 Ų2369.7 Ų69.712%0.11836%0.359CS..EExtended strand (participates in β ladder)trans-107139.5-179.6-65.1-173.8000109.8E75 C77 F202 E262E75-I260 PolarHBondContact N-O 3.27Å; E75-I260 PolarHBondContact O-N 2.99Å; C77-I260 HydrophobicContact CB-CD1 4.4Å; C77-I260 WeakPolarHBondContact SG-CD1 3.2Å; C77-I260 VanDerWaalsContact SG-CG1 3.53Å; F202-I260 HydrophobicContact CE1-CD1 3.81Å; F202-I260 HydrophobicContact CZ-CD1 4.04Å; I260-E262 WeakPolarHBondContact CG2-O 3.34Å
261S80.6Confident86.7Confident54 Ų5466.4 Ų66.438%0.37835%0.346SS..SBendtrans-75.3-39.6176.652.10000113.3S73S73-S261 WeakPolarHBondContact O-CA 3.27Å; S73-S261 PolarHBondContact OG-O 3.09Å
262E83.8Confident86.1Confident132 Ų13271 Ų7162%0.61738%0.376SS*.  trans-141.9136-176.3-65.8178.5-172.800112.4I260 R264I260-E262 WeakPolarHBondContact CG2-O 3.34Å; E262-R264 PolarHBondContact O-N 2.87Å
263I84.4Confident85.7Confident83 Ų8374.1 Ų74.143%0.42640%0.398SS..  trans-79.688.9171.8-52.9177.9000108.8E75 F202 L209E75-I263 WeakPolarHBondContact OE2-CD1 3.49Å; F202-I263 HydrophobicContact CB-CG2 3.98Å; F202-I263 HydrophobicContact CD1-CG2 4.11Å; F202-I263 HydrophobicContact CD2-CG2 3.53Å; F202-I263 HydrophobicContact CE1-CG2 4.46Å; F202-I263 HydrophobicContact CE2-CG2 3.96Å; F202-I263 HydrophobicContact CG-CG2 3.61Å; F202-I263 HydrophobicContact CZ-CG2 4.39Å; L209-I263 HydrophobicContact CD2-CD1 3.94Å; L209-I263 HydrophobicContact CD2-CG1 4.14Å
264R86.7Confident85.5Confident179 Ų17971.3 Ų71.368%0.67538%0.379SS*.  trans-117.1108178.2-175.2177.8177.1177.50.3112F202 E262F202-R264 WeakPolarHBondContact CE2-O 3.3Å; E262-R264 PolarHBondContact O-N 2.87Å
265S87.8Confident85.2Confident48 Ų4871.4 Ų71.434%0.33638%0.382SS..  trans-69.4136.4170.6-50.20000110.4K200 D201K200-S265 CarbonylContact O-C 3.58Å; K200-S265 VanDerWaalsContact O-CA 3.27Å; K200-S265 WeakPolarHBondContact O-CA 3.28Å; D201-S265 WeakPolarHBondContact OD1-CB 3.49Å; D201-S265 PolarHBondContact OD1-OG 3.36Å
266I88.6Confident85.1Confident73 Ų7371.5 Ų71.537%0.37438%0.382SS..BIsolated β-bridgetrans-112.4111.2176.1-55.6173.5000107V199 K200V199-I266 WeakPolarHBondContact CA-O 3.34Å; K200-I266 HydrophobicContact CB-CB 3.83Å; K200-I266 HydrophobicContact CB-CD1 4.09Å; K200-I266 HydrophobicContact CB-CG1 4.02Å; K200-I266 HydrophobicContact CD-CD1 4.08Å; K200-I266 HydrophobicContact CD-CG1 4.49Å; K200-I266 PolarHBondContact N-O 3.45Å; K200-I266 PolarHBondContact O-N 3.01Å
267Y87.3Confident85.2Confident45 Ų4567.2 Ų67.218%0.17637%0.367CS..  trans-110.9129.8168.1-161.4-106.3000108.4W221 P275 I277 A311 V312 K315W221-Y267 HydrophobicContact CH2-CD1 4.02Å; W221-Y267 AromaticContact CH2-CE1 3.38Å; W221-Y267 HydrophobicContact CH2-CE1 3.38Å; W221-Y267 HydrophobicContact CH2-CE2 4.49Å; W221-Y267 AromaticContact CH2-CZ 3.64Å; W221-Y267 HydrophobicContact CZ3-CD1 4.39Å; W221-Y267 AromaticContact CZ3-CE1 3.41Å; W221-Y267 HydrophobicContact CZ3-CE1 3.41Å; W221-Y267 VanDerWaalsContact CZ3-CE1 3.41Å; W221-Y267 AromaticContact CZ3-CZ 3.68Å; W221-Y267 WeakPolarHBondContact CZ3-OH 3.45Å; Y267-P275 PolarHBondContact OH-O 3.42Å; Y267-P275 VanDerWaalsContact OH-O 3.13Å; Y267-I277 HydrophobicContact CE2-CD1 3.73Å; Y267-I277 HydrophobicContact CE2-CG1 4.37Å; Y267-I277 PolarHBondContact OH-N 2.91Å; Y267-A311 HydrophobicContact CD2-CB 3.79Å; Y267-A311 HydrophobicContact CE2-CB 3.91Å; Y267-V312 HydrophobicContact CE2-CG2 4.28Å; Y267-V312 WeakPolarHBondContact OH-CG2 3.49Å; Y267-K315 HydrophobicContact CD1-CD 4.29Å; Y267-K315 HydrophobicContact CD1-CG 4.18Å; Y267-K315 HydrophobicContact CE1-CG 4.11Å
268P84.5Confident85.1Confident14 Ų1461.4 Ų61.49%0.09134%0.341CS..  trans-58.3146.3-177.9-21.430.2000112E197 C198 V199 W221 A270E197-P268 HydrophobicContact CB-CB 3.82Å; E197-P268 HydrophobicContact CB-CG 3.67Å; E197-P268 VanDerWaalsContact CD-CB 3.43Å; E197-P268 HydrophobicContact CG-CB 4.09Å; E197-P268 HydrophobicContact CG-CG 4.47Å; E197-P268 WeakPolarHBondContact OE2-CB 3.33Å; C198-P268 WeakPolarHBondContact O-CG 3.33Å; V199-P268 HydrophobicContact CG2-CG 3.95Å; W221-P268 HydrophobicContact CH2-CB 4.08Å; W221-P268 HydrophobicContact CH2-CG 4.3Å; W221-P268 HydrophobicContact CZ2-CB 3.72Å; W221-P268 HydrophobicContact CZ2-CG 3.89Å; P268-A270 VanDerWaalsContact C-N 3.32Å; P268-A270 PolarHBondContact O-N 2.8Å
269T75.1Confident85.3Confident136 Ų13658.2 Ų58.283%0.83433%0.327SS*.  trans-77.685.8179.9-54.40000109.5
270A70.6Confident85.8Confident23 Ų2354.5 Ų54.519%0.1930%0.301CS..  trans-82.4150.6172.100000111.4W221 P268 F274W221-A270 HydrophobicContact CD2-CB 3.98Å; W221-A270 HydrophobicContact CE3-CB 3.47Å; W221-A270 VanDerWaalsContact CE3-CB 3.47Å; W221-A270 HydrophobicContact CH2-CB 3.62Å; W221-A270 HydrophobicContact CZ2-CB 4.13Å; W221-A270 HydrophobicContact CZ3-CB 3.26Å; P268-A270 VanDerWaalsContact C-N 3.32Å; P268-A270 PolarHBondContact O-N 2.8Å; A270-F274 WeakPolarHBondContact CB-O 3.32Å
271P77.4Confident86.3Confident32 Ų3254.6 Ų54.621%0.20830%0.3CS..  trans-57.4144169.726.3-36000109.7F194 S273 F274F194-P271 VanDerWaalsContact CZ-CD 3.48Å; F194-P271 HydrophobicContact CZ-CG 4.24Å; P271-S273 PolarHBondContact O-N 3.05Å; P271-F274 HydrophobicContact CG-CB 4.46Å; P271-F274 HydrophobicContact CG-CD2 4.19Å; P271-F274 CarbonylContact O-C 3.5Å; P271-F274 PolarHBondContact O-N 3.41Å
272P79Confident87.1Confident122 Ų12252.7 Ų52.779%0.79229%0.286SS*.THydrogen-bonded Turntrans-57.9-23.3-174.122.8-34.1000113.4F274P272-F274 VanDerWaalsContact C-N 3.32Å; P272-F274 PolarHBondContact O-N 3.12Å
273S85Confident87.6Confident70 Ų7047.9 Ų47.949%0.4927%0.265SS..THydrogen-bonded Turntrans-72.2-19.1177-47.20000114.7R223 P271R223-S273 WeakPolarHBondContact CG-O 3.42Å; P271-S273 PolarHBondContact O-N 3.05Å
274F89.2Confident88Confident28 Ų2845.1 Ų45.112%0.12325%0.25CS..  trans-132.569.8-179-61.5-89.2000110.2R192 W221 K222 R223 A270 P271 P272 I276R192-F274 HydrophobicContact CB-CB 4.48Å; R192-F274 HydrophobicContact CB-CD1 4.33Å; R192-F274 HydrophobicContact CB-CD2 4.31Å; R192-F274 HydrophobicContact CB-CG 4.13Å; W221-F274 HydrophobicContact CB-CB 4.11Å; K222-F274 CarbonylContact O-C 3.54Å; K222-F274 WeakPolarHBondContact O-CA 3.45Å; R223-F274 HydrophobicContact CG-CD1 3.82Å; R223-F274 HydrophobicContact CG-CE1 3.74Å; R223-F274 HydrophobicContact CG-CZ 4.43Å; A270-F274 WeakPolarHBondContact CB-O 3.32Å; P271-F274 HydrophobicContact CG-CB 4.46Å; P271-F274 HydrophobicContact CG-CD2 4.19Å; P271-F274 CarbonylContact O-C 3.5Å; P271-F274 PolarHBondContact O-N 3.41Å; P272-F274 VanDerWaalsContact C-N 3.32Å; P272-F274 PolarHBondContact O-N 3.12Å; F274-I276 VanDerWaalsContact C-N 3.35Å; F274-I276 PolarHBondContact O-N 3.36Å
275P88.3Confident88.2Confident46 Ų4640.3 Ų40.330%0.29924%0.238SC..  trans-83-6.5-169.632.3-34.8000114.6W221 K222 Y267W221-P275 WeakPolarHBondContact CZ3-O 3.35Å; K222-P275 WeakPolarHBondContact O-CD 3.35Å; Y267-P275 PolarHBondContact OH-O 3.42Å; Y267-P275 VanDerWaalsContact OH-O 3.13Å
276I92.5Very high88.1Confident13 Ų1339.4 Ų39.47%0.06723%0.23CC..EExtended strand (participates in β ladder)trans-118.2125-168-67.7157.3000110.9W221 K222 L225 F274 V312W221-I276 CarbonylContact C-O 3.48Å; W221-I276 WeakPolarHBondContact CA-O 3.44Å; K222-I276 PolarHBondContact N-O 3.01Å; K222-I276 PolarHBondContact O-N 2.85Å; L225-I276 HydrophobicContact CD2-CD1 3.88Å; L225-I276 HydrophobicContact CD2-CG1 4.24Å; L225-I276 HydrophobicContact CD2-CG2 3.93Å; L225-I276 HydrophobicContact CG-CD1 3.92Å; F274-I276 VanDerWaalsContact C-N 3.35Å; F274-I276 PolarHBondContact O-N 3.36Å; I276-V312 HydrophobicContact CG2-CG1 4.19Å
277I93.4Very high87.8Confident1 Ų139 Ų391%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-73.5125.5166.7-60.2166.9000108.8V199 W221 Y267 T280 N308 V312V199-I277 HydrophobicContact CG2-CD1 3.78Å; W221-I277 HydrophobicContact CD2-CG1 3.77Å; W221-I277 VanDerWaalsContact CE2-CG1 3.46Å; W221-I277 HydrophobicContact CE3-CG1 3.88Å; W221-I277 HydrophobicContact CH2-CD1 3.84Å; W221-I277 HydrophobicContact CH2-CG1 3.53Å; W221-I277 HydrophobicContact CZ2-CD1 3.66Å; W221-I277 HydrophobicContact CZ2-CG1 3.35Å; W221-I277 HydrophobicContact CZ3-CG1 3.78Å; Y267-I277 HydrophobicContact CE2-CD1 3.73Å; Y267-I277 HydrophobicContact CE2-CG1 4.37Å; Y267-I277 PolarHBondContact OH-N 2.91Å; I277-T280 HydrophobicContact CG2-CG2 3.64Å; I277-N308 HydrophobicContact CG2-CB 4.44Å; I277-V312 HydrophobicContact CB-CG2 4.09Å
278H90.8Very high87.5Confident13 Ų1340 Ų406%0.0623%0.233CC..EExtended strand (participates in β ladder)trans-108-52.7-175.7167.1-74.9000112.2L220 K222 L226 Q331L220-H278 WeakPolarHBondContact O-CB 3.34Å; L220-H278 PolarHBondContact O-N 3.13Å; K222-H278 HydrophobicContact CB-CB 4.41Å; K222-H278 HydrophobicContact CD-CB 4.34Å; K222-H278 VanDerWaalsContact CD-CD2 3.43Å; K222-H278 WeakPolarHBondContact CD-CD2 3.47Å; K222-H278 WeakPolarHBondContact CE-CD2 3.46Å; K222-H278 WeakPolarHBondContact CE-NE2 3.21Å; K222-H278 HydrophobicContact CG-CB 4.08Å; K222-H278 PolarHBondContact NZ-CD2 2.87Å; K222-H278 VanDerWaalsContact NZ-CD2 3.28Å; K222-H278 PolarHBondContact NZ-NE2 3.44Å; L226-H278 VanDerWaalsContact CD1-CD2 3.44Å; L226-H278 WeakPolarHBondContact CD1-CD2 3.19Å; L226-H278 WeakPolarHBondContact CD1-NE2 3.39Å; L226-H278 VanDerWaalsContact CD2-CD2 3.42Å; L226-H278 WeakPolarHBondContact CD2-CD2 3.44Å; L226-H278 WeakPolarHBondContact CD2-NE2 3.28Å; L226-H278 WeakPolarHBondContact CG-CD2 3.44Å; L226-H278 VanDerWaalsContact CG-NE2 3.34Å; L226-H278 WeakPolarHBondContact CG-NE2 3.41Å; H278-Q331 PolarHBondContact O-N 3.31Å
279T95.5Very high87.4Confident7 Ų745.9 Ų45.94%0.04325%0.253CS..EExtended strand (participates in β ladder)trans-131.9135.6179.1-55.20000109.9L220 F281 Q331 V333L220-T279 PolarHBondContact N-O 3.3Å; L220-T279 PolarHBondContact O-N 3.08Å; T279-F281 HydrophobicContact CG2-CD2 4.46Å; T279-F281 HydrophobicContact CG2-CE2 3.88Å; T279-F281 HydrophobicContact CG2-CZ 3.95Å; T279-Q331 CarbonylContact C-O 3.56Å; T279-Q331 VanDerWaalsContact CA-O 3.24Å; T279-Q331 WeakPolarHBondContact CA-O 3.34Å; T279-Q331 HydrophobicContact CG2-CB 4.02Å; T279-Q331 PolarHBondContact OG1-OE1 3.41Å; T279-Q331 VanDerWaalsContact OG1-OE1 3.09Å; T279-V333 HydrophobicContact CG2-CG2 4.45Å
280T96.3Very high87.8Confident2 Ų246.4 Ų46.41%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-116.3138.1171.954.10000111.9P216 I218 A219 I277 N308 Q331 C332 V333P216-T280 HydrophobicContact CB-CG2 4.04Å; P216-T280 HydrophobicContact CG-CG2 4.12Å; I218-T280 CarbonylContact O-C 3.55Å; I218-T280 WeakPolarHBondContact O-CA 3.48Å; A219-T280 HydrophobicContact CB-CG2 4.3Å; I277-T280 HydrophobicContact CG2-CG2 3.64Å; T280-N308 WeakPolarHBondContact CB-ND2 3.37Å; T280-N308 HydrophobicContact CG2-CB 4.39Å; T280-N308 WeakPolarHBondContact CG2-ND2 3.3Å; T280-N308 PolarHBondContact OG1-ND2 3.32Å; T280-Q331 PolarHBondContact N-O 2.89Å; T280-C332 CarbonylContact O-C 3.56Å; T280-C332 WeakPolarHBondContact O-CA 3.39Å; T280-V333 PolarHBondContact O-N 3.36Å
281F96.8Very high88.5Confident26 Ų2649.5 Ų49.511%0.11426%0.259CS..EExtended strand (participates in β ladder)trans-107.2123173.4-59.7-92.1000109.1F171 L175 Y217 I218 L220 T279 V333F171-F281 HydrophobicContact CD1-CB 4.33Å; F171-F281 AromaticContact CD1-CD1 3.66Å; F171-F281 HydrophobicContact CD1-CD1 3.66Å; F171-F281 HydrophobicContact CD1-CE1 4.47Å; F171-F281 HydrophobicContact CD1-CG 4.38Å; F171-F281 HydrophobicContact CD2-CB 4.28Å; F171-F281 HydrophobicContact CE1-CB 4.25Å; F171-F281 AromaticContact CE1-CD1 3.63Å; F171-F281 HydrophobicContact CE1-CD1 3.63Å; F171-F281 HydrophobicContact CE1-CG 4.42Å; F171-F281 HydrophobicContact CE2-CB 4.17Å; F171-F281 HydrophobicContact CG-CB 4.34Å; F171-F281 HydrophobicContact CG-CD1 4.39Å; F171-F281 HydrophobicContact CZ-CB 4.12Å; F171-F281 HydrophobicContact CZ-CD1 4.28Å; L175-F281 HydrophobicContact CD1-CE2 4.14Å; L175-F281 HydrophobicContact CD1-CZ 4.04Å; L175-F281 HydrophobicContact CD2-CE2 4.43Å; Y217-F281 WeakPolarHBondContact CB-O 3.11Å; Y217-F281 PolarHBondContact N-O 2.96Å; I218-F281 HydrophobicContact CB-CB 4.11Å; I218-F281 HydrophobicContact CB-CD2 3.89Å; I218-F281 HydrophobicContact CB-CG 4.37Å; I218-F281 HydrophobicContact CG2-CD2 3.93Å; I218-F281 HydrophobicContact CG2-CE2 4.49Å; I218-F281 PolarHBondContact N-O 3.03Å; I218-F281 PolarHBondContact O-N 3.49Å; L220-F281 HydrophobicContact CD1-CE2 3.62Å; L220-F281 HydrophobicContact CD1-CZ 4.14Å; L220-F281 HydrophobicContact CG-CE2 3.92Å; T279-F281 HydrophobicContact CG2-CD2 4.46Å; T279-F281 HydrophobicContact CG2-CE2 3.88Å; T279-F281 HydrophobicContact CG2-CZ 3.95Å; F281-V333 CarbonylContact C-O 3.53Å; F281-V333 VanDerWaalsContact CA-O 3.28Å; F281-V333 WeakPolarHBondContact CA-O 3.1Å; F281-V333 HydrophobicContact CD1-CB 3.79Å; F281-V333 HydrophobicContact CD1-CG1 4.37Å; F281-V333 HydrophobicContact CD1-CG2 4.24Å; F281-V333 HydrophobicContact CE1-CB 4.04Å; F281-V333 HydrophobicContact CE1-CG2 3.99Å
282I95.9Very high89.1Confident14 Ų1449.9 Ų49.97%0.07226%0.256CS..EExtended strand (participates in β ladder)trans-115.7118.7-174.7-59.3-177.4000108.6F171 V214 C332 V333 Q334 C335F171-I282 WeakPolarHBondContact CE2-O 3.41Å; V214-I282 HydrophobicContact CG1-CD1 4Å; I282-C332 WeakPolarHBondContact CD1-SG 3.23Å; I282-V333 PolarHBondContact N-O 3.45Å; I282-Q334 HydrophobicContact CB-CB 4.46Å; I282-Q334 CarbonylContact O-C 3.49Å; I282-Q334 VanDerWaalsContact O-CA 3.32Å; I282-Q334 WeakPolarHBondContact O-CA 3.39Å; I282-C335 PolarHBondContact O-N 3.05Å
283V95.1Very high89.7Confident30 Ų3047.6 Ų47.618%0.18224%0.24CC..EExtended strand (participates in β ladder)trans-87.2115.8170.5175.70000107.7V164 F171 Y217V164-V283 HydrophobicContact CB-CG1 4.08Å; V164-V283 HydrophobicContact CG1-CG1 3.65Å; V164-V283 HydrophobicContact CG2-CG1 4.44Å; V164-V283 WeakPolarHBondContact O-CG1 3.4Å; F171-V283 HydrophobicContact CD2-CG2 3.52Å; F171-V283 HydrophobicContact CE2-CG2 3.67Å; Y217-V283 HydrophobicContact CD1-CG2 3.91Å; Y217-V283 HydrophobicContact CD2-CG2 4.41Å; Y217-V283 HydrophobicContact CG-CG2 3.77Å
284K93Very high90Very high26 Ų2650.3 Ų50.311%0.11324%0.243CC..EExtended strand (participates in β ladder)trans-100.9128.7176.4-178.859.3-173.41770109.7G82 W292 L297 Q334 C335 C336G82-K284 PolarHBondContact O-NZ 3.43Å; K284-W292 HydrophobicContact CD-CZ3 4.18Å; K284-L297 HydrophobicContact CG-CD2 3.84Å; K284-Q334 HydrophobicContact CB-CG 4.01Å; K284-C335 PolarHBondContact N-O 3.13Å; K284-C336 HydrophobicContact CB-CB 4.1Å; K284-C336 HydrophobicContact CG-CB 4.4Å
285D90.8Very high90.2Very high77 Ų7754 Ų5441%0.41226%0.264SS..PPolyproline II helixtrans-77.5150.9171.5-158.99.5000111V164V164-D285 HydrophobicContact CG2-CB 3.52Å; V164-D285 VanDerWaalsContact CG2-CG 3.41Å; V164-D285 WeakPolarHBondContact CG2-OD1 3.33Å
286V85.1Confident90.5Very high29 Ų2953.6 Ų53.618%0.17626%0.258CS..PPolyproline II helixtrans-88.2120.4176.7175.30000109Y288 C336 E337V286-Y288 HydrophobicContact CB-CE2 4.2Å; V286-Y288 HydrophobicContact CG1-CD1 4.24Å; V286-Y288 HydrophobicContact CG1-CD2 4.44Å; V286-Y288 HydrophobicContact CG1-CE1 4.16Å; V286-Y288 HydrophobicContact CG1-CE2 4.41Å; V286-Y288 HydrophobicContact CG1-CG 4.4Å; V286-Y288 VanDerWaalsContact O-CD2 3.24Å; V286-Y288 WeakPolarHBondContact O-CD2 3.13Å; V286-Y288 PolarHBondContact O-N 3.33Å; V286-Y288 VanDerWaalsContact O-N 3.09Å; V286-C336 WeakPolarHBondContact CG2-SG 3.48Å; V286-E337 HydrophobicContact CG2-CG 3.63Å
287D83.2Confident90.5Very high64 Ų6453.6 Ų53.634%0.34226%0.259SS..  trans-74100.2165.4-172.1-16000109.3R289 Y290 P291D287-R289 PolarHBondContact O-N 3.37Å; D287-R289 WeakPolarHBondContact OD1-CA 3.31Å; D287-R289 VanDerWaalsContact OD1-CB 3.28Å; D287-R289 WeakPolarHBondContact OD1-CB 3.47Å; D287-R289 PolarHBondContact OD1-N 2.89Å; D287-Y290 WeakPolarHBondContact CB-O 3.12Å; D287-Y290 CarbonylContact O-C 3.32Å; D287-Y290 VanDerWaalsContact O-C 3.26Å; D287-Y290 PolarHBondContact O-N 3.01Å; D287-Y290 PolarHBondContact OD1-N 3.46Å; D287-P291 WeakPolarHBondContact O-CA 3.5Å; D287-P291 WeakPolarHBondContact O-CD 3.37Å; D287-P291 WeakPolarHBondContact O-CG 3.44Å
288Y80.6Confident90.6Very high67 Ų6753.6 Ų53.626%0.26326%0.259SS..SBendtrans-68.8-16177.7-69.2-81.4000113.9P143 S163 V286 E337P143-Y288 HydrophobicContact CB-CD2 3.4Å; P143-Y288 HydrophobicContact CB-CE2 3.97Å; P143-Y288 HydrophobicContact CB-CG 3.96Å; P143-Y288 HydrophobicContact CG-CD2 3.42Å; P143-Y288 VanDerWaalsContact CG-CD2 3.42Å; P143-Y288 HydrophobicContact CG-CE2 3.53Å; P143-Y288 HydrophobicContact CG-CG 4.43Å; S163-Y288 PolarHBondContact OG-OH 3.29Å; V286-Y288 HydrophobicContact CB-CE2 4.2Å; V286-Y288 HydrophobicContact CG1-CD1 4.24Å; V286-Y288 HydrophobicContact CG1-CD2 4.44Å; V286-Y288 HydrophobicContact CG1-CE1 4.16Å; V286-Y288 HydrophobicContact CG1-CE2 4.41Å; V286-Y288 HydrophobicContact CG1-CG 4.4Å; V286-Y288 VanDerWaalsContact O-CD2 3.24Å; V286-Y288 WeakPolarHBondContact O-CD2 3.13Å; V286-Y288 PolarHBondContact O-N 3.33Å; V286-Y288 VanDerWaalsContact O-N 3.09Å; Y288-E337 PolarHBondContact OH-OE1 3.33Å
289R82.1Confident90.8Very high138 Ų13853 Ų5352%0.52126%0.256SS..SBendtrans-85.9-43.7177.3-176.6177.5177.4168.9-1.5110.7R146 D287R146-R289 VanDerWaalsContact NH1-CD 3.35Å; R146-R289 VanDerWaalsContact NH1-NE 3.18Å; D287-R289 PolarHBondContact O-N 3.37Å; D287-R289 WeakPolarHBondContact OD1-CA 3.31Å; D287-R289 VanDerWaalsContact OD1-CB 3.28Å; D287-R289 WeakPolarHBondContact OD1-CB 3.47Å; D287-R289 PolarHBondContact OD1-N 2.89Å
290Y84.2Confident90.8Very high147 Ų14752.8 Ų52.858%0.57626%0.255SS*.SBendtrans-133.678.3177.9-56.7-64.3000109.8D287 W292D287-Y290 WeakPolarHBondContact CB-O 3.12Å; D287-Y290 CarbonylContact O-C 3.32Å; D287-Y290 VanDerWaalsContact O-C 3.26Å; D287-Y290 PolarHBondContact O-N 3.01Å; D287-Y290 PolarHBondContact OD1-N 3.46Å; Y290-W292 PolarHBondContact O-N 3.48Å
291P85.2Confident90.8Very high88 Ų8852.8 Ų52.857%0.57126%0.255SS*.PPolyproline II helixtrans-58.8129.7-177.9-23.833.1000111.1D287D287-P291 WeakPolarHBondContact O-CA 3.5Å; D287-P291 WeakPolarHBondContact O-CD 3.37Å; D287-P291 WeakPolarHBondContact O-CG 3.44Å
292W90.3Very high90.8Very high39 Ų3951.6 Ų51.615%0.14825%0.249CC..PPolyproline II helixtrans-68.9140.1177.3-64.85000110.3G82 T83 E84 K284 Y290 E296 L297 N300G82-W292 WeakPolarHBondContact O-CH2 3.36Å; T83-W292 VanDerWaalsContact O-CZ2 3.3Å; T83-W292 WeakPolarHBondContact O-CZ2 3.33Å; E84-W292 VanDerWaalsContact C-CH2 3.44Å; E84-W292 WeakPolarHBondContact O-CH2 3.37Å; E84-W292 WeakPolarHBondContact O-CZ2 3.3Å; K284-W292 HydrophobicContact CD-CZ3 4.18Å; Y290-W292 PolarHBondContact O-N 3.48Å; W292-E296 HydrophobicContact CB-CB 4.1Å; W292-L297 HydrophobicContact CB-CD2 4.28Å; W292-L297 HydrophobicContact CB-CG 3.97Å; W292-L297 HydrophobicContact CE3-CD2 3.75Å; W292-L297 HydrophobicContact CE3-CG 4.31Å; W292-N300 HydrophobicContact CZ3-CB 3.85Å
293T90.9Very high90.9Very high75 Ų7550.9 Ų50.946%0.4625%0.246SC..PPolyproline II helixtrans-67.4161.6169.6650000110.6N295 E296 L297T293-N295 PolarHBondContact O-N 2.86Å; T293-E296 VanDerWaalsContact CB-OE2 3.31Å; T293-E296 WeakPolarHBondContact CB-OE2 3.3Å; T293-E296 WeakPolarHBondContact CG2-OE2 3.31Å; T293-E296 PolarHBondContact N-OE2 2.86Å; T293-E296 PolarHBondContact O-N 3.12Å; T293-E296 WeakPolarHBondContact OG1-CB 3.45Å; T293-E296 VanDerWaalsContact OG1-CD 3.29Å; T293-E296 VanDerWaalsContact OG1-CG 3.3Å; T293-E296 WeakPolarHBondContact OG1-CG 3.28Å; T293-E296 PolarHBondContact OG1-N 3.44Å; T293-E296 PolarHBondContact OG1-OE2 3.35Å; T293-L297 PolarHBondContact O-N 2.83Å
294K90.9Very high90.9Very high127 Ų12749.6 Ų49.655%0.55224%0.238SC*.Hα-helixtrans-56.9-37175.1-66.1175.9163.8-170.60112.2A298 S367K294-A298 VanDerWaalsContact O-CB 3.3Å; K294-A298 WeakPolarHBondContact O-CB 3.44Å; K294-A298 PolarHBondContact O-N 3.45Å; K294-S367 VanDerWaalsContact CB-OG 3.3Å; K294-S367 WeakPolarHBondContact CB-OG 3.47Å; K294-S367 WeakPolarHBondContact CD-OG 3.45Å; K294-S367 WeakPolarHBondContact CG-OG 3.37Å
295N93Very high91.1Very high105 Ų10548.3 Ų48.356%0.56123%0.233SC*.Hα-helixtrans-71.5-38.2179.2-70.5-6.3000112.3G89 V90 T293 A298 G299G89-N295 VanDerWaalsContact CA-O 3.32Å; G89-N295 WeakPolarHBondContact CA-O 3.28Å; V90-N295 PolarHBondContact N-O 2.63Å; T293-N295 PolarHBondContact O-N 2.86Å; N295-A298 PolarHBondContact O-N 3.36Å; N295-G299 PolarHBondContact O-N 3.36Å
296E94Very high91.4Very high37 Ų3744.7 Ų44.717%0.17321%0.213CC..Hα-helixtrans-64.9-46.3174.5-77.7163.2138.400111.3S85 L86 W292 T293 A298 G299 N300S85-E296 WeakPolarHBondContact OG-CG 3.25Å; S85-E296 PolarHBondContact OG-OE1 2.95Å; L86-E296 WeakPolarHBondContact O-CG 3.35Å; W292-E296 HydrophobicContact CB-CB 4.1Å; T293-E296 VanDerWaalsContact CB-OE2 3.31Å; T293-E296 WeakPolarHBondContact CB-OE2 3.3Å; T293-E296 WeakPolarHBondContact CG2-OE2 3.31Å; T293-E296 PolarHBondContact N-OE2 2.86Å; T293-E296 PolarHBondContact O-N 3.12Å; T293-E296 WeakPolarHBondContact OG1-CB 3.45Å; T293-E296 VanDerWaalsContact OG1-CD 3.29Å; T293-E296 VanDerWaalsContact OG1-CG 3.3Å; T293-E296 WeakPolarHBondContact OG1-CG 3.28Å; T293-E296 PolarHBondContact OG1-N 3.44Å; T293-E296 PolarHBondContact OG1-OE2 3.35Å; E296-A298 VanDerWaalsContact C-N 3.32Å; E296-A298 PolarHBondContact O-N 2.87Å; E296-G299 PolarHBondContact O-N 3.35Å; E296-N300 PolarHBondContact O-N 2.85Å
297L94Very high91.9Very high14 Ų1443.4 Ų43.47%0.07321%0.205CC..Hα-helixtrans-59.9-42.2175-74.7168.4000112.1K284 W292 T293 N300 A301 Q334 C336K284-L297 HydrophobicContact CG-CD2 3.84Å; W292-L297 HydrophobicContact CB-CD2 4.28Å; W292-L297 HydrophobicContact CB-CG 3.97Å; W292-L297 HydrophobicContact CE3-CD2 3.75Å; W292-L297 HydrophobicContact CE3-CG 4.31Å; T293-L297 PolarHBondContact O-N 2.83Å; L297-N300 WeakPolarHBondContact O-CB 2.83Å; L297-N300 PolarHBondContact O-N 3.03Å; L297-A301 PolarHBondContact O-N 3.18Å; L297-Q334 PolarHBondContact O-NE2 3.48Å; L297-C336 HydrophobicContact CD2-CB 4.26Å
298A94.7Very high92.5Very high1 Ų140.4 Ų40.41%0.00819%0.189CC..Hα-helixtrans-62-46.1175.600000112.2V90 K294 N295 E296 N300 A301 I302 T366V90-A298 HydrophobicContact CG2-CB 3.41Å; V90-A298 VanDerWaalsContact CG2-CB 3.41Å; K294-A298 VanDerWaalsContact O-CB 3.3Å; K294-A298 WeakPolarHBondContact O-CB 3.44Å; K294-A298 PolarHBondContact O-N 3.45Å; N295-A298 PolarHBondContact O-N 3.36Å; E296-A298 VanDerWaalsContact C-N 3.32Å; E296-A298 PolarHBondContact O-N 2.87Å; A298-N300 VanDerWaalsContact C-N 3.28Å; A298-N300 PolarHBondContact O-N 2.85Å; A298-A301 PolarHBondContact O-N 3.49Å; A298-I302 WeakPolarHBondContact O-CG1 3.02Å; A298-I302 PolarHBondContact O-N 2.71Å; A298-T366 HydrophobicContact CB-CG2 3.29Å
299G95.6Very high93.2Very high0 Ų037.2 Ų37.20%018%0.177CC..Hα-helixtrans-58.6-40.9175.200000112.4N295 E296 I302 L303N295-G299 PolarHBondContact O-N 3.36Å; E296-G299 PolarHBondContact O-N 3.35Å; G299-I302 PolarHBondContact O-N 3.39Å; G299-L303 PolarHBondContact O-N 3.31Å
300N95.9Very high93.8Very high3 Ų330.7 Ų30.72%0.01615%0.152CC..Hα-helixtrans-61.3-43.9174.8-17169.6000112.8F80 G82 W292 E296 L297 A298 I302 S304 Q334F80-N300 VanDerWaalsContact CZ-OD1 3.24Å; F80-N300 WeakPolarHBondContact CZ-OD1 3.27Å; G82-N300 WeakPolarHBondContact CA-OD1 3.45Å; G82-N300 PolarHBondContact O-OD1 3.21Å; W292-N300 HydrophobicContact CZ3-CB 3.85Å; E296-N300 PolarHBondContact O-N 2.85Å; L297-N300 WeakPolarHBondContact O-CB 2.83Å; L297-N300 PolarHBondContact O-N 3.03Å; A298-N300 VanDerWaalsContact C-N 3.28Å; A298-N300 PolarHBondContact O-N 2.85Å; N300-I302 VanDerWaalsContact C-N 3.33Å; N300-I302 PolarHBondContact O-N 3.31Å; N300-S304 VanDerWaalsContact O-CB 3.32Å; N300-S304 WeakPolarHBondContact O-CB 3.22Å; N300-S304 PolarHBondContact O-N 3.31Å; N300-S304 PolarHBondContact O-OG 3.22Å; N300-Q334 PolarHBondContact ND2-OE1 3.38Å
301A95.9Very high94.2Very high2 Ų223.8 Ų23.82%0.01713%0.125CC..Hα-helixtrans-63.5-39.1177.600000111.8L297 A298 S304 C305 Q334 D341 C343L297-A301 PolarHBondContact O-N 3.18Å; A298-A301 PolarHBondContact O-N 3.49Å; A301-S304 PolarHBondContact O-N 3.35Å; A301-C305 WeakPolarHBondContact O-CB 3.48Å; A301-C305 PolarHBondContact O-N 3Å; A301-Q334 HydrophobicContact CB-CB 4.04Å; A301-D341 HydrophobicContact CB-CB 4.32Å; A301-C343 HydrophobicContact CB-CB 4.47Å
302I97.1Very high94.6Very high0 Ų019.6 Ų19.60%010%0.098CC..Hα-helixtrans-64-52.6177.3-67168.2000111.1V90 A93 I97 A298 G299 N300 S304 C305 F306 V362 H364V90-I302 HydrophobicContact CB-CD1 4.41Å; V90-I302 HydrophobicContact CG1-CD1 3.82Å; V90-I302 HydrophobicContact CG2-CD1 4.26Å; A93-I302 HydrophobicContact CB-CB 4.1Å; A93-I302 HydrophobicContact CB-CG2 3.99Å; I97-I302 HydrophobicContact CD1-CG2 3.53Å; A298-I302 WeakPolarHBondContact O-CG1 3.02Å; A298-I302 PolarHBondContact O-N 2.71Å; G299-I302 PolarHBondContact O-N 3.39Å; N300-I302 VanDerWaalsContact C-N 3.33Å; N300-I302 PolarHBondContact O-N 3.31Å; I302-S304 VanDerWaalsContact C-N 3.25Å; I302-S304 PolarHBondContact O-N 3.18Å; I302-C305 WeakPolarHBondContact O-CB 3.41Å; I302-C305 PolarHBondContact O-N 3.38Å; I302-F306 WeakPolarHBondContact O-CB 3.3Å; I302-F306 PolarHBondContact O-N 3.35Å; I302-V362 HydrophobicContact CD1-CG1 4.07Å; I302-V362 HydrophobicContact CG1-CG1 3.87Å; I302-V362 HydrophobicContact CG2-CG1 4.08Å; I302-V362 HydrophobicContact CG2-CG2 4.3Å; I302-H364 HydrophobicContact CD1-CB 4.33Å; I302-H364 HydrophobicContact CG1-CB 4.45Å
303L97Very high94.8Very high0 Ų017.8 Ų17.80%09%0.091CC..Hα-helixtrans-62.5-35.8178.8-70.2-170.3000112F80 L86 A93 L96 I97 F212 G299 F306 A307F80-L303 HydrophobicContact CD1-CB 4.05Å; F80-L303 HydrophobicContact CD2-CB 4.38Å; F80-L303 HydrophobicContact CD2-CD1 3.61Å; F80-L303 HydrophobicContact CE1-CB 3.55Å; F80-L303 HydrophobicContact CE2-CB 3.92Å; F80-L303 HydrophobicContact CE2-CD1 3.61Å; F80-L303 HydrophobicContact CE2-CG 4.39Å; F80-L303 HydrophobicContact CG-CB 4.43Å; F80-L303 HydrophobicContact CG-CD1 4.09Å; F80-L303 HydrophobicContact CZ-CB 3.47Å; F80-L303 VanDerWaalsContact CZ-CB 3.47Å; F80-L303 HydrophobicContact CZ-CD1 4.09Å; F80-L303 HydrophobicContact CZ-CG 4.4Å; L86-L303 HydrophobicContact CD1-CD1 3.66Å; L86-L303 HydrophobicContact CD1-CG 4.2Å; L86-L303 HydrophobicContact CD2-CD1 4.06Å; L86-L303 HydrophobicContact CG-CD1 4.41Å; A93-L303 HydrophobicContact CB-CD2 3.98Å; A93-L303 HydrophobicContact CB-CG 3.91Å; L96-L303 HydrophobicContact CB-CD2 4.18Å; L96-L303 HydrophobicContact CD1-CD1 3.98Å; L96-L303 HydrophobicContact CD1-CD2 4.33Å; I97-L303 HydrophobicContact CG2-CD2 3.45Å; I97-L303 VanDerWaalsContact CG2-CD2 3.45Å; F212-L303 HydrophobicContact CE1-CD2 4.16Å; G299-L303 PolarHBondContact O-N 3.31Å; L303-F306 WeakPolarHBondContact O-CB 3.29Å; L303-F306 PolarHBondContact O-N 2.93Å; L303-A307 PolarHBondContact O-N 3.17Å
304S96.3Very high94.8Very high2 Ų215.1 Ų15.11%0.0147%0.074CC..Hα-helixtrans-68.8-37.8176.4-54.50000112.6N300 A301 I302 F306 N308N300-S304 VanDerWaalsContact O-CB 3.32Å; N300-S304 WeakPolarHBondContact O-CB 3.22Å; N300-S304 PolarHBondContact O-N 3.31Å; N300-S304 PolarHBondContact O-OG 3.22Å; A301-S304 PolarHBondContact O-N 3.35Å; I302-S304 VanDerWaalsContact C-N 3.25Å; I302-S304 PolarHBondContact O-N 3.18Å; S304-F306 VanDerWaalsContact C-N 3.33Å; S304-N308 PolarHBondContact O-N 3.28Å; S304-N308 PolarHBondContact O-ND2 3.16Å
305C96.7Very high94.7Very high0 Ų015.5 Ų15.50%08%0.076CC..Hα-helixtrans-62.4-43.6172.1-161.40000111.1A301 I302 N308 A309 C330 C332 C343 L345A301-C305 WeakPolarHBondContact O-CB 3.48Å; A301-C305 PolarHBondContact O-N 3Å; I302-C305 WeakPolarHBondContact O-CB 3.41Å; I302-C305 PolarHBondContact O-N 3.38Å; C305-N308 PolarHBondContact O-N 3.19Å; C305-A309 PolarHBondContact O-N 2.89Å; C305-A309 VanDerWaalsContact O-N 3.09Å; C305-C330 PolarHBondContact SG-O 3.49Å; C305-C332 HydrophobicContact CB-CB 3.51Å; C305-C343 HydrophobicContact CB-CB 4.46Å; C305-L345 HydrophobicContact CB-CB 4.3Å
306F97.2Very high94.6Very high1 Ų114.1 Ų14.10%0.0047%0.068CC..Hα-helixtrans-62.4-42.5178.2179.1-115.5000112.7I97 F212 I302 L303 S304 N308 A309 I310 L345 L347 V352I97-F306 HydrophobicContact CB-CD1 3.96Å; I97-F306 HydrophobicContact CB-CD2 3.84Å; I97-F306 HydrophobicContact CB-CE1 3.92Å; I97-F306 HydrophobicContact CB-CE2 3.86Å; I97-F306 HydrophobicContact CB-CG 3.89Å; I97-F306 HydrophobicContact CB-CZ 3.91Å; I97-F306 HydrophobicContact CD1-CB 4.49Å; I97-F306 HydrophobicContact CG2-CB 3.98Å; I97-F306 HydrophobicContact CG2-CD1 3.21Å; I97-F306 HydrophobicContact CG2-CD2 3.96Å; I97-F306 HydrophobicContact CG2-CE1 3.48Å; I97-F306 VanDerWaalsContact CG2-CE1 3.48Å; I97-F306 HydrophobicContact CG2-CE2 4.22Å; I97-F306 HydrophobicContact CG2-CG 3.46Å; I97-F306 VanDerWaalsContact CG2-CG 3.46Å; I97-F306 HydrophobicContact CG2-CZ 4.01Å; F212-F306 HydrophobicContact CD1-CD1 4.47Å; F212-F306 HydrophobicContact CD2-CE1 4.39Å; F212-F306 HydrophobicContact CE1-CD1 4.07Å; F212-F306 HydrophobicContact CE1-CE1 4.39Å; F212-F306 HydrophobicContact CE2-CD1 4.12Å; F212-F306 AromaticContact CE2-CE1 3.73Å; F212-F306 HydrophobicContact CE2-CE1 3.73Å; F212-F306 AromaticContact CZ-CD1 3.87Å; F212-F306 HydrophobicContact CZ-CD1 3.87Å; F212-F306 AromaticContact CZ-CE1 3.73Å; F212-F306 HydrophobicContact CZ-CE1 3.73Å; I302-F306 WeakPolarHBondContact O-CB 3.3Å; I302-F306 PolarHBondContact O-N 3.35Å; L303-F306 WeakPolarHBondContact O-CB 3.29Å; L303-F306 PolarHBondContact O-N 2.93Å; S304-F306 VanDerWaalsContact C-N 3.33Å; F306-N308 VanDerWaalsContact C-N 3.26Å; F306-N308 PolarHBondContact O-N 3.39Å; F306-A309 PolarHBondContact O-N 3.27Å; F306-I310 HydrophobicContact CD1-CD1 3.38Å; F306-I310 HydrophobicContact CD1-CG1 4.18Å; F306-I310 HydrophobicContact CD2-CD1 4.22Å; F306-I310 HydrophobicContact CD2-CG1 4.11Å; F306-I310 HydrophobicContact CE1-CD1 3.01Å; F306-I310 HydrophobicContact CE1-CG1 3.84Å; F306-I310 HydrophobicContact CE2-CD1 3.89Å; F306-I310 HydrophobicContact CE2-CG1 3.72Å; F306-I310 HydrophobicContact CG-CD1 3.99Å; F306-I310 HydrophobicContact CG-CG1 4.32Å; F306-I310 HydrophobicContact CZ-CD1 3.27Å; F306-I310 HydrophobicContact CZ-CG1 3.56Å; F306-I310 WeakPolarHBondContact O-CG1 3.39Å; F306-I310 PolarHBondContact O-N 2.92Å; F306-L345 HydrophobicContact CB-CD1 3.7Å; F306-L345 HydrophobicContact CD2-CD1 4.05Å; F306-L345 HydrophobicContact CD2-CD2 4.5Å; F306-L345 HydrophobicContact CG-CD1 4.36Å; F306-L347 HydrophobicContact CD2-CD1 3.9Å; F306-L347 HydrophobicContact CE2-CD1 3.5Å; F306-L347 VanDerWaalsContact CE2-CD1 3.5Å; F306-V352 HydrophobicContact CZ-CG2 3.79Å
307A95.9Very high94.4Very high1 Ų115.7 Ų15.71%0.0087%0.073CC..Hα-helixtrans-53.5-44.1175.700000112F212 V214 L303 A311F212-A307 HydrophobicContact CB-CB 3.66Å; F212-A307 HydrophobicContact CG-CB 4.37Å; V214-A307 HydrophobicContact CB-CB 4.31Å; V214-A307 HydrophobicContact CG2-CB 3.49Å; V214-A307 VanDerWaalsContact CG2-CB 3.49Å; L303-A307 PolarHBondContact O-N 3.17Å; A307-A311 WeakPolarHBondContact O-CB 3.48Å; A307-A311 PolarHBondContact O-N 3.31Å; A307-A311 VanDerWaalsContact O-N 3.09Å
308N94.7Very high94.1Very high2 Ų216.5 Ų16.51%0.0119%0.085CC..Hα-helixtrans-68.4-41.1176.7-62.5-49.2000112.2I277 T280 S304 C305 F306 A311 V312I277-N308 HydrophobicContact CG2-CB 4.44Å; T280-N308 WeakPolarHBondContact CB-ND2 3.37Å; T280-N308 HydrophobicContact CG2-CB 4.39Å; T280-N308 WeakPolarHBondContact CG2-ND2 3.3Å; T280-N308 PolarHBondContact OG1-ND2 3.32Å; S304-N308 PolarHBondContact O-N 3.28Å; S304-N308 PolarHBondContact O-ND2 3.16Å; C305-N308 PolarHBondContact O-N 3.19Å; F306-N308 VanDerWaalsContact C-N 3.26Å; F306-N308 PolarHBondContact O-N 3.39Å; N308-A311 PolarHBondContact O-N 2.97Å; N308-V312 WeakPolarHBondContact O-CG2 3.27Å; N308-V312 PolarHBondContact O-N 3.04Å
309A95.8Very high93.6Very high0 Ų020.8 Ų20.80%012%0.115CC..Hα-helixtrans-64.4-43.6-18000000112C305 F306 A311 V312 A313 C330 L345 L347C305-A309 PolarHBondContact O-N 2.89Å; C305-A309 VanDerWaalsContact O-N 3.09Å; F306-A309 PolarHBondContact O-N 3.27Å; A309-A311 VanDerWaalsContact C-N 3.33Å; A309-V312 PolarHBondContact O-N 3.16Å; A309-A313 WeakPolarHBondContact O-CB 3.37Å; A309-A313 PolarHBondContact O-N 3.3Å; A309-C330 HydrophobicContact CB-CB 4.07Å; A309-L345 HydrophobicContact CB-CD2 3.63Å; A309-L347 HydrophobicContact CB-CB 4.06Å; A309-L347 HydrophobicContact CB-CD2 4.05Å; A309-L347 WeakPolarHBondContact O-CD2 3.43Å
310I95Very high93Very high0 Ų023.6 Ų23.60%014%0.135CC..Hα-helixtrans-60.6-46.2173.2-64.9159.5000110.1D201 V203 F212 F306 V312 A313 N314D201-I310 HydrophobicContact CB-CG2 4.08Å; V203-I310 HydrophobicContact CG2-CB 4.49Å; V203-I310 HydrophobicContact CG2-CD1 3.45Å; V203-I310 VanDerWaalsContact CG2-CD1 3.45Å; V203-I310 HydrophobicContact CG2-CG1 3.96Å; V203-I310 HydrophobicContact CG2-CG2 3.7Å; F212-I310 HydrophobicContact CD2-CD1 3.88Å; F212-I310 HydrophobicContact CE2-CD1 4.11Å; F306-I310 HydrophobicContact CD1-CD1 3.38Å; F306-I310 HydrophobicContact CD1-CG1 4.18Å; F306-I310 HydrophobicContact CD2-CD1 4.22Å; F306-I310 HydrophobicContact CD2-CG1 4.11Å; F306-I310 HydrophobicContact CE1-CD1 3.01Å; F306-I310 HydrophobicContact CE1-CG1 3.84Å; F306-I310 HydrophobicContact CE2-CD1 3.89Å; F306-I310 HydrophobicContact CE2-CG1 3.72Å; F306-I310 HydrophobicContact CG-CD1 3.99Å; F306-I310 HydrophobicContact CG-CG1 4.32Å; F306-I310 HydrophobicContact CZ-CD1 3.27Å; F306-I310 HydrophobicContact CZ-CG1 3.56Å; F306-I310 WeakPolarHBondContact O-CG1 3.39Å; F306-I310 PolarHBondContact O-N 2.92Å; I310-V312 VanDerWaalsContact C-N 3.25Å; I310-V312 PolarHBondContact O-N 3.27Å; I310-A313 CarbonylContact O-C 3.55Å; I310-A313 WeakPolarHBondContact O-CA 3.37Å; I310-A313 WeakPolarHBondContact O-CB 3.48Å; I310-A313 PolarHBondContact O-N 3.32Å; I310-N314 WeakPolarHBondContact CG2-ND2 3.31Å; I310-N314 WeakPolarHBondContact O-CB 3.44Å; I310-N314 PolarHBondContact O-N 2.94Å
311A93.2Very high92.2Very high2 Ų228 Ų282%0.01716%0.163CC..Hα-helixtrans-61.2-37.9-177.100000112.1V199 D201 Y267 A307 N308 A309 K315V199-A311 HydrophobicContact CG1-CB 3.22Å; D201-A311 HydrophobicContact CB-CB 4.43Å; D201-A311 WeakPolarHBondContact OD2-CA 3.19Å; Y267-A311 HydrophobicContact CD2-CB 3.79Å; Y267-A311 HydrophobicContact CE2-CB 3.91Å; A307-A311 WeakPolarHBondContact O-CB 3.48Å; A307-A311 PolarHBondContact O-N 3.31Å; A307-A311 VanDerWaalsContact O-N 3.09Å; N308-A311 PolarHBondContact O-N 2.97Å; A309-A311 VanDerWaalsContact C-N 3.33Å; A311-K315 VanDerWaalsContact O-CB 3.23Å; A311-K315 WeakPolarHBondContact O-CB 3.17Å; A311-K315 PolarHBondContact O-N 3.16Å; A311-K315 VanDerWaalsContact O-N 3.12Å
312V93.1Very high91.8Very high1 Ų131.5 Ų31.51%0.00618%0.181CC..Hα-helixtrans-65.9-43.9170.2175.30000111.1L225 Y267 I276 I277 N308 A309 I310 K315 L316 I328L225-V312 HydrophobicContact CD2-CG1 4.02Å; Y267-V312 HydrophobicContact CE2-CG2 4.28Å; Y267-V312 WeakPolarHBondContact OH-CG2 3.49Å; I276-V312 HydrophobicContact CG2-CG1 4.19Å; I277-V312 HydrophobicContact CB-CG2 4.09Å; N308-V312 WeakPolarHBondContact O-CG2 3.27Å; N308-V312 PolarHBondContact O-N 3.04Å; A309-V312 PolarHBondContact O-N 3.16Å; I310-V312 VanDerWaalsContact C-N 3.25Å; I310-V312 PolarHBondContact O-N 3.27Å; V312-K315 PolarHBondContact O-N 3.16Å; V312-L316 HydrophobicContact CG1-CD1 3.89Å; V312-L316 HydrophobicContact CG1-CG 4.47Å; V312-L316 WeakPolarHBondContact O-CG 3.43Å; V312-L316 PolarHBondContact O-N 2.85Å; V312-I328 HydrophobicContact CB-CD1 4.48Å; V312-I328 HydrophobicContact CB-CG2 4.26Å; V312-I328 HydrophobicContact CG1-CD1 3.98Å; V312-I328 HydrophobicContact CG1-CG1 4.45Å; V312-I328 HydrophobicContact CG1-CG2 3.95Å
313A93.8Very high91.4Very high0 Ų035.5 Ų35.50%021%0.205CC..Hα-helixtrans-61.6-49.6-18000000112.5A309 I310 K315 L316 Y317 L324 I328 L347 T350A309-A313 WeakPolarHBondContact O-CB 3.37Å; A309-A313 PolarHBondContact O-N 3.3Å; I310-A313 CarbonylContact O-C 3.55Å; I310-A313 WeakPolarHBondContact O-CA 3.37Å; I310-A313 WeakPolarHBondContact O-CB 3.48Å; I310-A313 PolarHBondContact O-N 3.32Å; A313-K315 VanDerWaalsContact C-N 3.26Å; A313-K315 PolarHBondContact O-N 3.4Å; A313-L316 PolarHBondContact O-N 3.01Å; A313-L316 VanDerWaalsContact O-N 3.13Å; A313-Y317 WeakPolarHBondContact O-CD2 3.39Å; A313-Y317 PolarHBondContact O-N 3.38Å; A313-L324 HydrophobicContact CB-CD1 4.36Å; A313-L324 HydrophobicContact CB-CD2 4.22Å; A313-I328 HydrophobicContact CB-CD1 3.54Å; A313-L347 HydrophobicContact CB-CD2 3.66Å; A313-T350 HydrophobicContact CB-CG2 3.91Å
314N91.8Very high91.2Very high19 Ų1936.1 Ų36.110%0.10221%0.208CC..Hα-helixtrans-65.1-33.4178.9-73.7-4.4000111.4D201 I310 G318D201-N314 PolarHBondContact OD1-ND2 2.65Å; D201-N314 VanDerWaalsContact OD2-CB 3.27Å; D201-N314 WeakPolarHBondContact OD2-CB 3.49Å; D201-N314 PolarHBondContact OD2-ND2 3.43Å; I310-N314 WeakPolarHBondContact CG2-ND2 3.31Å; I310-N314 WeakPolarHBondContact O-CB 3.44Å; I310-N314 PolarHBondContact O-N 2.94Å; N314-G318 WeakPolarHBondContact O-CA 3.36Å; N314-G318 PolarHBondContact O-N 3.18Å; N314-G318 PolarHBondContact OD1-O 2.9Å
315K89.4Confident91Very high135 Ų13540.9 Ų40.959%0.58724%0.239SC*.Hα-helixtrans-65.9-36.7173.5-17860.2178.4178.40112.9Y267 A311 V312 A313Y267-K315 HydrophobicContact CD1-CD 4.29Å; Y267-K315 HydrophobicContact CD1-CG 4.18Å; Y267-K315 HydrophobicContact CE1-CG 4.11Å; A311-K315 VanDerWaalsContact O-CB 3.23Å; A311-K315 WeakPolarHBondContact O-CB 3.17Å; A311-K315 PolarHBondContact O-N 3.16Å; A311-K315 VanDerWaalsContact O-N 3.12Å; V312-K315 PolarHBondContact O-N 3.16Å; A313-K315 VanDerWaalsContact C-N 3.26Å; A313-K315 PolarHBondContact O-N 3.4Å
316L90Very high90.8Very high76 Ų7644.1 Ų44.140%0.39826%0.259SS..Hα-helixtrans-89.8-40.2-175.4-68.8177.4000113.8L225 V312 A313 I328L225-L316 HydrophobicContact CD1-CD1 4.13Å; L225-L316 HydrophobicContact CD2-CD1 3.89Å; L225-L316 HydrophobicContact CG-CD1 4.28Å; V312-L316 HydrophobicContact CG1-CD1 3.89Å; V312-L316 HydrophobicContact CG1-CG 4.47Å; V312-L316 WeakPolarHBondContact O-CG 3.43Å; V312-L316 PolarHBondContact O-N 2.85Å; A313-L316 PolarHBondContact O-N 3.01Å; A313-L316 VanDerWaalsContact O-N 3.13Å; L316-I328 HydrophobicContact CD1-CD1 4.47Å
317Y90.6Very high90.7Very high71 Ų7145.6 Ų45.628%0.27827%0.269SS..Hα-helixtrans-116.4-4.9-171.6-52.8-68.8000113.8A313 L324 P325 T326 I328A313-Y317 WeakPolarHBondContact O-CD2 3.39Å; A313-Y317 PolarHBondContact O-N 3.38Å; Y317-L324 HydrophobicContact CD2-CD2 3.52Å; Y317-L324 HydrophobicContact CE2-CD2 3.92Å; Y317-L324 HydrophobicContact CG-CD2 4.26Å; Y317-P325 HydrophobicContact CD1-CG 4.36Å; Y317-P325 HydrophobicContact CE1-CG 4.21Å; Y317-T326 PolarHBondContact OH-OG1 3.48Å; Y317-I328 HydrophobicContact CD2-CD1 4.45Å; Y317-I328 HydrophobicContact CE2-CD1 3.92Å; Y317-I328 HydrophobicContact CE2-CG1 4.49Å
318G87.7Confident90.6Very high31 Ų3145.6 Ų45.632%0.3227%0.269SS..  trans83.9173.6-17400000113.4N314 S320N314-G318 WeakPolarHBondContact O-CA 3.36Å; N314-G318 PolarHBondContact O-N 3.18Å; N314-G318 PolarHBondContact OD1-O 2.9Å; G318-S320 VanDerWaalsContact C-N 3.31Å; G318-S320 PolarHBondContact O-N 3.15Å
319S83.9Confident90.7Very high91 Ų9145.7 Ų45.764%0.63627%0.269SS*.SBendtrans-82.31.5-170.2-51.20000115.3
320S83.4Confident90.8Very high59 Ų5945.8 Ų45.841%0.41327%0.27SS..SBendtrans-73142.2-179.843.60000111.8G318 I322 T350G318-S320 VanDerWaalsContact C-N 3.31Å; G318-S320 PolarHBondContact O-N 3.15Å; S320-I322 WeakPolarHBondContact O-CG1 3.49Å; S320-I322 PolarHBondContact O-N 3.42Å; S320-I322 VanDerWaalsContact OG-CD1 3.25Å; S320-I322 WeakPolarHBondContact OG-CD1 3.34Å; S320-T350 PolarHBondContact O-OG1 3.4Å
321P77.9Confident90.8Very high95 Ų9548.1 Ų48.162%0.61728%0.281SS*.  trans-70.1112176.328.2-33.1000110.3T350 K351P321-T350 WeakPolarHBondContact CA-OG1 3.33Å; P321-K351 HydrophobicContact CB-CB 4.15Å; P321-K351 HydrophobicContact CB-CG 4.44Å
322I86.8Confident91Very high76 Ų7648.1 Ų48.139%0.3928%0.28SS..  trans-141.1150.1-176.7-49.4174.7000108.9S320 T350S320-I322 WeakPolarHBondContact O-CG1 3.49Å; S320-I322 PolarHBondContact O-N 3.42Å; S320-I322 VanDerWaalsContact OG-CD1 3.25Å; S320-I322 WeakPolarHBondContact OG-CD1 3.34Å; I322-T350 PolarHBondContact N-OG1 3.45Å; I322-T350 PolarHBondContact O-N 2.88Å; I322-T350 PolarHBondContact O-OG1 3.16Å
323V90.4Very high91.1Very high84 Ų8449 Ų4951%0.50929%0.286SS..EExtended strand (participates in β ladder)trans-69.4122.9158.1-179.30000108
324L92.6Very high91.3Very high13 Ų1349 Ų497%0.06829%0.286CS..EExtended strand (participates in β ladder)trans-67.9130.9-170.3-65.1174.4000110.9A313 Y317 T326 I328 L347 N348 T350A313-L324 HydrophobicContact CB-CD1 4.36Å; A313-L324 HydrophobicContact CB-CD2 4.22Å; Y317-L324 HydrophobicContact CD2-CD2 3.52Å; Y317-L324 HydrophobicContact CE2-CD2 3.92Å; Y317-L324 HydrophobicContact CG-CD2 4.26Å; L324-T326 VanDerWaalsContact C-N 3.26Å; L324-T326 PolarHBondContact O-N 3.47Å; L324-I328 HydrophobicContact CD1-CD1 4.17Å; L324-I328 HydrophobicContact CD1-CG1 4.45Å; L324-L347 HydrophobicContact CD1-CB 4.19Å; L324-L347 HydrophobicContact CD1-CD2 3.69Å; L324-L347 HydrophobicContact CD1-CG 3.68Å; L324-L347 WeakPolarHBondContact CD1-O 3.44Å; L324-N348 WeakPolarHBondContact CB-O 3.42Å; L324-N348 PolarHBondContact N-O 3.48Å; L324-T350 HydrophobicContact CD2-CG2 4.07Å
325P91Very high91.4Very high101 Ų10148 Ų4866%0.65628%0.281SS*.EExtended strand (participates in β ladder)trans-59.1-37.7176.8-24.733.3000112.8Y317Y317-P325 HydrophobicContact CD1-CG 4.36Å; Y317-P325 HydrophobicContact CE1-CG 4.21Å
326T92.4Very high91.4Very high68 Ų6842 Ų4242%0.41726%0.256SS..EExtended strand (participates in β ladder)trans-127.5126.9169.657.60000109.3Y317 L324Y317-T326 PolarHBondContact OH-OG1 3.48Å; L324-T326 VanDerWaalsContact C-N 3.26Å; L324-T326 PolarHBondContact O-N 3.47Å
327P94.8Very high91.1Very high33 Ų3341.1 Ų41.121%0.21425%0.249CC..EExtended strand (participates in β ladder)trans-58.2144.7178.2-25.534.2000112.6P228 Q346 L347 N348P228-P327 HydrophobicContact CB-CB 4.35Å; P228-P327 HydrophobicContact CB-CG 4.37Å; P327-Q346 HydrophobicContact CB-CG 3.87Å; P327-L347 WeakPolarHBondContact CA-O 3.33Å; P327-N348 WeakPolarHBondContact CB-OD1 3.48Å
328I95.7Very high90.8Very high1 Ų139.3 Ų39.31%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-105.2118.3176-66.4165.4000108.4L225 V312 A313 L316 Y317 L324 L347L225-I328 HydrophobicContact CD1-CG1 4.3Å; L225-I328 HydrophobicContact CD2-CG1 4.01Å; L225-I328 HydrophobicContact CD2-CG2 4.29Å; V312-I328 HydrophobicContact CB-CD1 4.48Å; V312-I328 HydrophobicContact CB-CG2 4.26Å; V312-I328 HydrophobicContact CG1-CD1 3.98Å; V312-I328 HydrophobicContact CG1-CG1 4.45Å; V312-I328 HydrophobicContact CG1-CG2 3.95Å; A313-I328 HydrophobicContact CB-CD1 3.54Å; L316-I328 HydrophobicContact CD1-CD1 4.47Å; Y317-I328 HydrophobicContact CD2-CD1 4.45Å; Y317-I328 HydrophobicContact CE2-CD1 3.92Å; Y317-I328 HydrophobicContact CE2-CG1 4.49Å; L324-I328 HydrophobicContact CD1-CD1 4.17Å; L324-I328 HydrophobicContact CD1-CG1 4.45Å; I328-L347 HydrophobicContact CB-CB 4.28Å; I328-L347 PolarHBondContact N-O 2.57Å; I328-L347 PolarHBondContact O-N 3.49Å
329V96.8Very high90.9Very high4 Ų440 Ų402%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-97.4125.8172.5-1790000109.4L226 L229 V344 L345 Q346L226-V329 HydrophobicContact CB-CB 3.77Å; L226-V329 HydrophobicContact CB-CG1 4.28Å; L226-V329 HydrophobicContact CD1-CB 4.14Å; L226-V329 HydrophobicContact CD1-CG1 3.83Å; L229-V329 HydrophobicContact CD1-CG1 3.72Å; L229-V329 HydrophobicContact CG-CG1 4.15Å; L229-V329 HydrophobicContact CG-CG2 4.26Å; V329-V344 HydrophobicContact CG1-CG1 3.98Å; V329-L345 CarbonylContact C-O 3.58Å; V329-L345 WeakPolarHBondContact CA-O 3.44Å; V329-Q346 HydrophobicContact CG2-CB 4.07Å; V329-Q346 HydrophobicContact CG2-CG 3.91Å
330C96.3Very high91.4Very high2 Ų236 Ų361%0.01421%0.212CC..EExtended strand (participates in β ladder)trans-124.5150.9173.9-76.60000110.2C305 A309 L345C305-C330 PolarHBondContact SG-O 3.49Å; A309-C330 HydrophobicContact CB-CB 4.07Å; C330-L345 PolarHBondContact N-O 3.37Å; C330-L345 PolarHBondContact O-N 3.25Å
331Q96.4Very high91.9Very high49 Ų4933.2 Ų33.223%0.22919%0.193CC..EExtended strand (participates in β ladder)trans-120.9142177.9-60.8177.2-13.400109.8L226 H278 T279 T280 C343 V344L226-Q331 HydrophobicContact CD1-CG 4.33Å; H278-Q331 PolarHBondContact O-N 3.31Å; T279-Q331 CarbonylContact C-O 3.56Å; T279-Q331 VanDerWaalsContact CA-O 3.24Å; T279-Q331 WeakPolarHBondContact CA-O 3.34Å; T279-Q331 HydrophobicContact CG2-CB 4.02Å; T279-Q331 PolarHBondContact OG1-OE1 3.41Å; T279-Q331 VanDerWaalsContact OG1-OE1 3.09Å; T280-Q331 PolarHBondContact N-O 2.89Å; Q331-C343 CarbonylContact C-O 3.5Å; Q331-C343 WeakPolarHBondContact CA-O 3.08Å; Q331-V344 HydrophobicContact CG-CG1 4.22Å; Q331-V344 HydrophobicContact CG-CG2 4.24Å
332C96.3Very high92.8Very high1 Ų132 Ų321%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-132.5131.1174.5-178.70000109.7T280 I282 C305 C343T280-C332 CarbonylContact O-C 3.56Å; T280-C332 WeakPolarHBondContact O-CA 3.39Å; I282-C332 WeakPolarHBondContact CD1-SG 3.23Å; C305-C332 HydrophobicContact CB-CB 3.51Å; C332-C343 HydrophobicContact CB-CB 4.3Å; C332-C343 PolarHBondContact N-O 2.84Å; C332-C343 PolarHBondContact O-N 3.39Å
333V96.4Very high93.2Very high19 Ų1928.5 Ų28.512%0.11516%0.16CC..EExtended strand (participates in β ladder)trans-116.8115.7171.3-171.80000107.7F171 T279 T280 F281 I282 F340 D341 F342F171-V333 HydrophobicContact CE1-CB 4.33Å; F171-V333 HydrophobicContact CE1-CG1 3.78Å; F171-V333 HydrophobicContact CZ-CG1 4.3Å; F171-V333 WeakPolarHBondContact CZ-O 3.25Å; T279-V333 HydrophobicContact CG2-CG2 4.45Å; T280-V333 PolarHBondContact O-N 3.36Å; F281-V333 CarbonylContact C-O 3.53Å; F281-V333 VanDerWaalsContact CA-O 3.28Å; F281-V333 WeakPolarHBondContact CA-O 3.1Å; F281-V333 HydrophobicContact CD1-CB 3.79Å; F281-V333 HydrophobicContact CD1-CG1 4.37Å; F281-V333 HydrophobicContact CD1-CG2 4.24Å; F281-V333 HydrophobicContact CE1-CB 4.04Å; F281-V333 HydrophobicContact CE1-CG2 3.99Å; I282-V333 PolarHBondContact N-O 3.45Å; V333-F340 HydrophobicContact CG1-CD1 4.09Å; V333-D341 WeakPolarHBondContact CA-O 3.42Å; V333-F342 HydrophobicContact CB-CD1 4.45Å; V333-F342 HydrophobicContact CG1-CD1 3.9Å; V333-F342 HydrophobicContact CG1-CE1 3.69Å; V333-F342 HydrophobicContact CG1-CZ 4.4Å; V333-F342 HydrophobicContact CG2-CD1 3.88Å; V333-F342 HydrophobicContact CG2-CE1 4.15Å
334Q95.9Very high93.6Very high0 Ų024.8 Ų24.80%014%0.138CC..EExtended strand (participates in β ladder)trans-101.5137.7175.2177.7178-87.800109.5I282 K284 L297 N300 A301 F340 D341I282-Q334 HydrophobicContact CB-CB 4.46Å; I282-Q334 CarbonylContact O-C 3.49Å; I282-Q334 VanDerWaalsContact O-CA 3.32Å; I282-Q334 WeakPolarHBondContact O-CA 3.39Å; K284-Q334 HydrophobicContact CB-CG 4.01Å; L297-Q334 PolarHBondContact O-NE2 3.48Å; N300-Q334 PolarHBondContact ND2-OE1 3.38Å; A301-Q334 HydrophobicContact CB-CB 4.04Å; Q334-F340 WeakPolarHBondContact O-CA 3.47Å; Q334-D341 HydrophobicContact CB-CB 4.28Å; Q334-D341 PolarHBondContact N-O 3.42Å; Q334-D341 PolarHBondContact NE2-OD2 2.94Å; Q334-D341 PolarHBondContact O-N 3.24Å
335C94.4Very high93.8Very high0 Ų024.2 Ų24.20%013%0.134CC..EExtended strand (participates in β ladder)trans-124.8126.5173.1-176.20000109.6S167 F171 I282 K284 E337 N339 F340S167-C335 VanDerWaalsContact CB-SG 3.54Å; S167-C335 PolarHBondContact OG-SG 3.41Å; S167-C335 VanDerWaalsContact OG-SG 3.37Å; F171-C335 HydrophobicContact CD1-CB 4.47Å; F171-C335 HydrophobicContact CD2-CB 4.14Å; F171-C335 HydrophobicContact CE1-CB 3.73Å; F171-C335 HydrophobicContact CE2-CB 3.35Å; F171-C335 HydrophobicContact CZ-CB 3.13Å; I282-C335 PolarHBondContact O-N 3.05Å; K284-C335 PolarHBondContact N-O 3.13Å; C335-E337 PolarHBondContact SG-O 3.17Å; C335-N339 WeakPolarHBondContact CA-O 3.4Å; C335-F340 HydrophobicContact CB-CD1 4.01Å; C335-F340 HydrophobicContact CB-CE1 3.66Å; C335-F340 HydrophobicContact CB-CZ 4.06Å; C335-F340 WeakPolarHBondContact SG-CZ 3.48Å
336C90.7Very high94.1Very high9 Ų919.4 Ų19.46%0.06110%0.103CC..EExtended strand (participates in β ladder)trans-125.5103.4175.7-167.10000108K284 V286 L297 N338 N339K284-C336 HydrophobicContact CB-CB 4.1Å; K284-C336 HydrophobicContact CG-CB 4.4Å; V286-C336 WeakPolarHBondContact CG2-SG 3.48Å; L297-C336 HydrophobicContact CD2-CB 4.26Å; C336-N338 PolarHBondContact O-N 2.85Å; C336-N339 PolarHBondContact N-O 2.91Å; C336-N339 PolarHBondContact O-N 2.9Å
337E82.8Confident94.3Very high56 Ų5616.1 Ų16.126%0.2628%0.083SC..THydrogen-bonded Turntrans54.7-100.8-164.8-70.3-179.6176.800112.5S163 S167 V286 Y288 C335S163-E337 WeakPolarHBondContact OG-CG 3.41Å; S163-E337 PolarHBondContact OG-OE1 3.49Å; S167-E337 WeakPolarHBondContact OG-CA 3.42Å; S167-E337 PolarHBondContact OG-N 2.82Å; S167-E337 PolarHBondContact OG-O 2.83Å; S167-E337 VanDerWaalsContact OG-O 3.06Å; V286-E337 HydrophobicContact CG2-CG 3.63Å; Y288-E337 PolarHBondContact OH-OE1 3.33Å; C335-E337 PolarHBondContact SG-O 3.17Å
338N85.3Confident94.3Very high33 Ų3314.7 Ų14.718%0.1767%0.074CC..THydrogen-bonded Turntrans-114.12.6-178.3-66.1-14.5000112.6N133 C336 L369 I370N133-N338 PolarHBondContact ND2-OD1 2.94Å; C336-N338 PolarHBondContact O-N 2.85Å; N338-L369 HydrophobicContact CB-CD1 4.02Å; N338-I370 PolarHBondContact O-N 3.43Å
339N89.9Confident94.3Very high47 Ų4714.8 Ų14.825%0.2517%0.074SC..EExtended strand (participates in β ladder)trans-93.7131.6177-69-43.2000109.8C335 C336 L369C335-N339 WeakPolarHBondContact CA-O 3.4Å; C336-N339 PolarHBondContact N-O 2.91Å; C336-N339 PolarHBondContact O-N 2.9Å; N339-L369 WeakPolarHBondContact OD1-CB 3.39Å; N339-L369 WeakPolarHBondContact OD1-CD1 3.42Å
340F93.1Very high94.1Very high6 Ų615.1 Ų15.13%0.0268%0.076CC..EExtended strand (participates in β ladder)trans-111.3131.9175-69.6-96000110.3L170 F171 F174 V333 Q334 C335 F342 S367 K368 I370L170-F340 HydrophobicContact CB-CZ 4.15Å; L170-F340 HydrophobicContact CD1-CE2 4.26Å; L170-F340 HydrophobicContact CD1-CZ 4.12Å; F171-F340 HydrophobicContact CD1-CE1 4.03Å; F171-F340 HydrophobicContact CE1-CD1 4.1Å; F171-F340 AromaticContact CE1-CE1 3.65Å; F171-F340 HydrophobicContact CE1-CE1 3.65Å; F171-F340 HydrophobicContact CZ-CE1 4.39Å; F174-F340 HydrophobicContact CD2-CE1 4.11Å; F174-F340 AromaticContact CD2-CZ 3.9Å; F174-F340 HydrophobicContact CD2-CZ 3.9Å; F174-F340 HydrophobicContact CE2-CE1 4.09Å; F174-F340 AromaticContact CE2-CE2 3.96Å; F174-F340 HydrophobicContact CE2-CE2 3.96Å; F174-F340 AromaticContact CE2-CZ 3.45Å; F174-F340 HydrophobicContact CE2-CZ 3.45Å; F174-F340 VanDerWaalsContact CE2-CZ 3.45Å; V333-F340 HydrophobicContact CG1-CD1 4.09Å; Q334-F340 WeakPolarHBondContact O-CA 3.47Å; C335-F340 HydrophobicContact CB-CD1 4.01Å; C335-F340 HydrophobicContact CB-CE1 3.66Å; C335-F340 HydrophobicContact CB-CZ 4.06Å; C335-F340 WeakPolarHBondContact SG-CZ 3.48Å; F340-F342 HydrophobicContact CB-CD2 4.48Å; F340-F342 HydrophobicContact CB-CE2 3.68Å; F340-F342 HydrophobicContact CB-CZ 3.88Å; F340-F342 HydrophobicContact CG-CZ 4.48Å; F340-S367 PolarHBondContact O-N 3.34Å; F340-K368 HydrophobicContact CB-CB 4.33Å; F340-K368 PolarHBondContact N-O 3.14Å; F340-K368 PolarHBondContact O-N 2.94Å; F340-I370 HydrophobicContact CD2-CD1 3.62Å; F340-I370 HydrophobicContact CD2-CG1 3.93Å; F340-I370 HydrophobicContact CE2-CD1 3.53Å; F340-I370 HydrophobicContact CE2-CG1 4.08Å; F340-I370 HydrophobicContact CZ-CD1 4.36Å
341D94.8Very high93.9Very high1 Ų121 Ų211%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-115.2124.4169.5-53.3-54.3000108.6A301 V333 Q334 T366 S367A301-D341 HydrophobicContact CB-CB 4.32Å; V333-D341 WeakPolarHBondContact CA-O 3.42Å; Q334-D341 HydrophobicContact CB-CB 4.28Å; Q334-D341 PolarHBondContact N-O 3.42Å; Q334-D341 PolarHBondContact NE2-OD2 2.94Å; Q334-D341 PolarHBondContact O-N 3.24Å; D341-T366 HydrophobicContact CB-CG2 4.35Å; D341-T366 WeakPolarHBondContact OD1-CA 3.5Å; D341-T366 WeakPolarHBondContact OD1-CB 3.37Å; D341-S367 PolarHBondContact OD1-N 3.13Å
342F95.9Very high93.7Very high69 Ų6918.8 Ų18.830%0.3039%0.091SC..EExtended strand (participates in β ladder)trans-105.2127.9178-59.8-86.9000108.7L105 V333 F340 H364 D365 K368L105-F342 HydrophobicContact CD2-CB 4.02Å; V333-F342 HydrophobicContact CB-CD1 4.45Å; V333-F342 HydrophobicContact CG1-CD1 3.9Å; V333-F342 HydrophobicContact CG1-CE1 3.69Å; V333-F342 HydrophobicContact CG1-CZ 4.4Å; V333-F342 HydrophobicContact CG2-CD1 3.88Å; V333-F342 HydrophobicContact CG2-CE1 4.15Å; F340-F342 HydrophobicContact CB-CD2 4.48Å; F340-F342 HydrophobicContact CB-CE2 3.68Å; F340-F342 HydrophobicContact CB-CZ 3.88Å; F340-F342 HydrophobicContact CG-CZ 4.48Å; F342-H364 CarbonylContact O-C 3.6Å; F342-H364 WeakPolarHBondContact O-CA 3.23Å; F342-D365 PolarHBondContact N-O 3.43Å; F342-D365 PolarHBondContact O-N 2.93Å; F342-K368 HydrophobicContact CD2-CG 4.18Å; F342-K368 HydrophobicContact CE2-CB 4.18Å; F342-K368 HydrophobicContact CE2-CG 3.94Å
343C96.3Very high93.3Very high2 Ų219.3 Ų19.31%0.01410%0.097CC..EExtended strand (participates in β ladder)trans-129.2134.3176.4-176.70000109.3A301 C305 Q331 C332 W363A301-C343 HydrophobicContact CB-CB 4.47Å; C305-C343 HydrophobicContact CB-CB 4.46Å; Q331-C343 CarbonylContact C-O 3.5Å; Q331-C343 WeakPolarHBondContact CA-O 3.08Å; C332-C343 HydrophobicContact CB-CB 4.3Å; C332-C343 PolarHBondContact N-O 2.84Å; C332-C343 PolarHBondContact O-N 3.39Å; C343-W363 CarbonylContact C-O 3.57Å; C343-W363 WeakPolarHBondContact CA-O 3.36Å
344V97.1Very high92.9Very high7 Ų720.1 Ų20.14%0.04211%0.11CC..EExtended strand (participates in β ladder)trans-124125170.5-173.90000107L105 P106 I109 L229 V329 Q331 V362 W363L105-V344 HydrophobicContact CD2-CG2 4.48Å; P106-V344 HydrophobicContact CG-CB 4.26Å; P106-V344 HydrophobicContact CG-CG1 4.28Å; P106-V344 HydrophobicContact CG-CG2 4.44Å; I109-V344 HydrophobicContact CD1-CG1 4.44Å; I109-V344 HydrophobicContact CD1-CG2 4.07Å; L229-V344 HydrophobicContact CD1-CG1 3.38Å; V329-V344 HydrophobicContact CG1-CG1 3.98Å; Q331-V344 HydrophobicContact CG-CG1 4.22Å; Q331-V344 HydrophobicContact CG-CG2 4.24Å; V344-V362 WeakPolarHBondContact O-CA 3.4Å; V344-W363 HydrophobicContact CB-CB 4.39Å; V344-W363 HydrophobicContact CB-CE3 4.47Å; V344-W363 HydrophobicContact CG1-CE3 4.43Å; V344-W363 PolarHBondContact N-O 3.11Å; V344-W363 PolarHBondContact O-N 2.84Å
345L97.4Very high92.4Very high0 Ų023.5 Ų23.50%013%0.133CC..EExtended strand (participates in β ladder)trans-121.5126.9-177.5-177.6148.5000108.8I97 C305 F306 A309 V329 C330 L347 V362I97-L345 HydrophobicContact CD1-CD1 3.9Å; C305-L345 HydrophobicContact CB-CB 4.3Å; F306-L345 HydrophobicContact CB-CD1 3.7Å; F306-L345 HydrophobicContact CD2-CD1 4.05Å; F306-L345 HydrophobicContact CD2-CD2 4.5Å; F306-L345 HydrophobicContact CG-CD1 4.36Å; A309-L345 HydrophobicContact CB-CD2 3.63Å; V329-L345 CarbonylContact C-O 3.58Å; V329-L345 WeakPolarHBondContact CA-O 3.44Å; C330-L345 PolarHBondContact N-O 3.37Å; C330-L345 PolarHBondContact O-N 3.25Å; L345-L347 HydrophobicContact CD2-CB 3.82Å; L345-L347 HydrophobicContact CD2-CD1 4.37Å; L345-V362 HydrophobicContact CB-CG2 4.31Å; L345-V362 HydrophobicContact CD1-CG2 3.7Å; L345-V362 HydrophobicContact CG-CG2 3.88Å
346Q96.9Very high92Very high0 Ų029.6 Ų29.60%017%0.166CC..EExtended strand (participates in β ladder)trans-103.5108.4166.9-178175.9-47.800108.7P327 V329 N348 I361 W363P327-Q346 HydrophobicContact CB-CG 3.87Å; V329-Q346 HydrophobicContact CG2-CB 4.07Å; V329-Q346 HydrophobicContact CG2-CG 3.91Å; Q346-N348 WeakPolarHBondContact CG-OD1 3.32Å; Q346-N348 PolarHBondContact NE2-OD1 3.18Å; Q346-I361 PolarHBondContact N-O 2.95Å; Q346-I361 PolarHBondContact O-N 3.4Å; Q346-W363 HydrophobicContact CB-CH2 4.26Å; Q346-W363 HydrophobicContact CB-CZ3 3.79Å
347L97Very high92Very high0 Ų031 Ų310%018%0.182CC..EExtended strand (participates in β ladder)trans-82.5114175.1-169.775.2000108.4F306 A309 A313 L324 P327 I328 L345 T349 T350F306-L347 HydrophobicContact CD2-CD1 3.9Å; F306-L347 HydrophobicContact CE2-CD1 3.5Å; F306-L347 VanDerWaalsContact CE2-CD1 3.5Å; A309-L347 HydrophobicContact CB-CB 4.06Å; A309-L347 HydrophobicContact CB-CD2 4.05Å; A309-L347 WeakPolarHBondContact O-CD2 3.43Å; A313-L347 HydrophobicContact CB-CD2 3.66Å; L324-L347 HydrophobicContact CD1-CB 4.19Å; L324-L347 HydrophobicContact CD1-CD2 3.69Å; L324-L347 HydrophobicContact CD1-CG 3.68Å; L324-L347 WeakPolarHBondContact CD1-O 3.44Å; P327-L347 WeakPolarHBondContact CA-O 3.33Å; I328-L347 HydrophobicContact CB-CB 4.28Å; I328-L347 PolarHBondContact N-O 2.57Å; I328-L347 PolarHBondContact O-N 3.49Å; L345-L347 HydrophobicContact CD2-CB 3.82Å; L345-L347 HydrophobicContact CD2-CD1 4.37Å; L347-T349 WeakPolarHBondContact CD1-O 3.48Å; L347-T350 HydrophobicContact CD2-CG2 4.37Å
348N95.9Very high92.5Very high3 Ų329.8 Ų29.82%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-104.5-26.2177.1-61.5-42000111.3V235 L324 P327 Q346 V358 K359 N360V235-N348 HydrophobicContact CG1-CB 3.9Å; V235-N348 VanDerWaalsContact CG1-CG 3.49Å; L324-N348 WeakPolarHBondContact CB-O 3.42Å; L324-N348 PolarHBondContact N-O 3.48Å; P327-N348 WeakPolarHBondContact CB-OD1 3.48Å; Q346-N348 WeakPolarHBondContact CG-OD1 3.32Å; Q346-N348 PolarHBondContact NE2-OD1 3.18Å; N348-V358 HydrophobicContact CB-CG1 3.85Å; N348-K359 PolarHBondContact ND2-O 3.46Å; N348-N360 PolarHBondContact N-OD1 2.94Å
349T94.6Very high93Very high3 Ų328.3 Ų28.32%0.01817%0.17CC..EExtended strand (participates in β ladder)trans-145140.2-178.6-178.70000111.2L347 K351 V358 N360L347-T349 WeakPolarHBondContact CD1-O 3.48Å; T349-K351 WeakPolarHBondContact OG1-CB 3.21Å; T349-K351 PolarHBondContact OG1-N 3.01Å; T349-V358 VanDerWaalsContact CG2-O 3.28Å; T349-V358 WeakPolarHBondContact CG2-O 3.42Å; T349-N360 PolarHBondContact N-OD1 2.81Å; T349-N360 PolarHBondContact O-ND2 3.49Å; T349-N360 VanDerWaalsContact O-ND2 3.13Å; T349-N360 PolarHBondContact O-OD1 3.37Å
350T93.4Very high93.3Very high10 Ų1026 Ų266%0.06116%0.158CC..SBendtrans-89-9.2167.257.20000111.9A313 S320 P321 I322 L324 L347 V352A313-T350 HydrophobicContact CB-CG2 3.91Å; S320-T350 PolarHBondContact O-OG1 3.4Å; P321-T350 WeakPolarHBondContact CA-OG1 3.33Å; I322-T350 PolarHBondContact N-OG1 3.45Å; I322-T350 PolarHBondContact O-N 2.88Å; I322-T350 PolarHBondContact O-OG1 3.16Å; L324-T350 HydrophobicContact CD2-CG2 4.07Å; L347-T350 HydrophobicContact CD2-CG2 4.37Å; T350-V352 PolarHBondContact O-N 3.4Å; T350-V352 VanDerWaalsContact O-N 3.1Å
351K91.8Very high93.5Very high125 Ų12526 Ų2654%0.54316%0.158SC..  trans-79.691.2173.9-172-178.7178.9179.90110.5K98 P321 T349K98-K351 VanDerWaalsContact CD-O 3.28Å; K98-K351 WeakPolarHBondContact CD-O 3.45Å; P321-K351 HydrophobicContact CB-CB 4.15Å; P321-K351 HydrophobicContact CB-CG 4.44Å; T349-K351 WeakPolarHBondContact OG1-CB 3.21Å; T349-K351 PolarHBondContact OG1-N 3.01Å
352V91.6Very high93.6Very high3 Ų325.9 Ų25.92%0.01816%0.157CC..  trans-86.6-21.9-177.8176.50000113.2L96 K98 V203 K205 F306 T350L96-V352 WeakPolarHBondContact O-CG1 3.25Å; K98-V352 HydrophobicContact CB-CG1 4.22Å; V203-V352 HydrophobicContact CG1-CB 4.08Å; V203-V352 HydrophobicContact CG1-CG2 3.82Å; K205-V352 HydrophobicContact CB-CG1 4.31Å; K205-V352 HydrophobicContact CD-CG1 4.04Å; K205-V352 HydrophobicContact CG-CG1 4.19Å; F306-V352 HydrophobicContact CZ-CG2 3.79Å; T350-V352 PolarHBondContact O-N 3.4Å; T350-V352 VanDerWaalsContact O-N 3.1Å
353G88.9Confident93.7Very high13 Ų1323.9 Ų23.913%0.13415%0.148CC..SBendtrans-66.2148.9176.100000113.8K98 D206K98-G353 PolarHBondContact NZ-O 3.08Å; D206-G353 VanDerWaalsContact OD1-CA 3.23Å; D206-G353 WeakPolarHBondContact OD1-CA 3.24Å
354G86.6Confident93.7Very high36 Ų3624.7 Ų24.737%0.37115%0.151SC..SBendtrans66.2163.3178.100000115.6K98 D206K98-G354 WeakPolarHBondContact CE-O 3.44Å; K98-G354 PolarHBondContact NZ-O 3.33Å; D206-G354 PolarHBondContact OD1-N 3.12Å
355S85.5Confident93.5Very high71 Ų7125.8 Ų25.850%0.49716%0.157SC..SBendtrans-77.5-21178.449.30000114.9
356D87Confident93Very high128 Ų12827.3 Ų27.368%0.68417%0.166SC*.  trans-92.9151-161.3-53.7-21.7000112.8K98K98-D356 WeakPolarHBondContact CE-O 3.21Å; K98-D356 PolarHBondContact NZ-O 2.92Å
357G90.4Very high92Very high38 Ų3828.6 Ų28.639%0.39218%0.175SC..SBendtrans91.9-169.8176.800000114R239R239-G357 WeakPolarHBondContact CA-O 3.4Å
358V93.8Very high91.3Very high30 Ų3033 Ų3318%0.18220%0.195CC..  trans-62.5143.5-177.7178.10000110.6V235 N348 T349V235-V358 HydrophobicContact CG1-CG1 3.54Å; N348-V358 HydrophobicContact CB-CG1 3.85Å; T349-V358 VanDerWaalsContact CG2-O 3.28Å; T349-V358 WeakPolarHBondContact CG2-O 3.42Å
359K95.5Very high90.5Very high2 Ų237.6 Ų37.61%0.00922%0.218CC..  trans-116.5160.4-179.6-57.6175.6-174.5173.40111.5K98 V100 T238 E241 L243 N348K98-K359 HydrophobicContact CG-CG 4.32Å; V100-K359 HydrophobicContact CG2-CB 4.28Å; V100-K359 HydrophobicContact CG2-CD 3.89Å; T238-K359 VanDerWaalsContact O-CD 3.27Å; T238-K359 WeakPolarHBondContact O-CD 3.22Å; T238-K359 VanDerWaalsContact O-CE 3.24Å; T238-K359 WeakPolarHBondContact O-CE 3.39Å; T238-K359 PolarHBondContact O-NZ 3.02Å; T238-K359 PolarHBondContact OG1-N 3.21Å; E241-K359 PolarHBondContact O-NZ 2.59Å; L243-K359 HydrophobicContact CD2-CD 3.6Å; L243-K359 HydrophobicContact CD2-CG 4.26Å; L243-K359 HydrophobicContact CG-CD 4.19Å; N348-K359 PolarHBondContact ND2-O 3.46Å
360N96.7Very high89.4Confident0 Ų039.7 Ų39.70%023%0.229CC..EExtended strand (participates in β ladder)trans-76.4158170.4-62.8-39.5000109.9I97 K98 A99 V100 N348 T349I97-N360 PolarHBondContact O-ND2 3.24Å; K98-N360 PolarHBondContact O-N 3.12Å; A99-N360 CarbonylContact C-O 3.57Å; A99-N360 WeakPolarHBondContact CA-O 3.37Å; A99-N360 HydrophobicContact CB-CB 3.89Å; A99-N360 WeakPolarHBondContact CB-O 3.42Å; V100-N360 PolarHBondContact N-O 3.43Å; N348-N360 PolarHBondContact N-OD1 2.94Å; T349-N360 PolarHBondContact N-OD1 2.81Å; T349-N360 PolarHBondContact O-ND2 3.49Å; T349-N360 VanDerWaalsContact O-ND2 3.13Å; T349-N360 PolarHBondContact O-OD1 3.37Å
361I96.8Very high88.1Confident4 Ų444.6 Ų44.62%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-123.7132.7179.9-53.6170.8000108.6S230 V235 T238 Q346 W363S230-I361 WeakPolarHBondContact OG-CD1 3.36Å; V235-I361 HydrophobicContact CG2-CD1 4.3Å; T238-I361 HydrophobicContact CG2-CD1 3.96Å; T238-I361 HydrophobicContact CG2-CG1 4.03Å; Q346-I361 PolarHBondContact N-O 2.95Å; Q346-I361 PolarHBondContact O-N 3.4Å; I361-W363 HydrophobicContact CB-CH2 3.81Å; I361-W363 HydrophobicContact CB-CZ2 4.37Å; I361-W363 HydrophobicContact CB-CZ3 4Å; I361-W363 HydrophobicContact CG2-CD2 4.2Å; I361-W363 HydrophobicContact CG2-CE3 4.11Å; I361-W363 HydrophobicContact CG2-CH2 3.31Å; I361-W363 HydrophobicContact CG2-CZ2 3.39Å; I361-W363 HydrophobicContact CG2-CZ3 3.68Å
362V97.3Very high86.6Confident0 Ų039 Ų390%023%0.23CC..EExtended strand (participates in β ladder)trans-128.4129.5-177.7174.90000109.5L94 I97 A99 V100 G101 H102 I302 V344 L345L94-V362 HydrophobicContact CD2-CB 3.94Å; L94-V362 HydrophobicContact CD2-CG1 4.34Å; L94-V362 HydrophobicContact CD2-CG2 4.22Å; I97-V362 HydrophobicContact CD1-CG2 3.83Å; A99-V362 HydrophobicContact CB-CG2 3.78Å; V100-V362 PolarHBondContact O-N 3.49Å; G101-V362 CarbonylContact C-O 3.38Å; G101-V362 WeakPolarHBondContact CA-O 3.4Å; H102-V362 PolarHBondContact N-O 3.49Å; I302-V362 HydrophobicContact CD1-CG1 4.07Å; I302-V362 HydrophobicContact CG1-CG1 3.87Å; I302-V362 HydrophobicContact CG2-CG1 4.08Å; I302-V362 HydrophobicContact CG2-CG2 4.3Å; V344-V362 WeakPolarHBondContact O-CA 3.4Å; L345-V362 HydrophobicContact CB-CG2 4.31Å; L345-V362 HydrophobicContact CD1-CG2 3.7Å; L345-V362 HydrophobicContact CG-CG2 3.88Å
363W97.2Very high84.8Confident27 Ų2744 Ų4410%0.10227%0.266CS..EExtended strand (participates in β ladder)trans-110.4126.1168.4-62.5-94.4000108.3H102 G104 P106 L229 S230 C343 V344 Q346 I361H102-W363 HydrophobicContact CB-CG 4.36Å; H102-W363 AromaticContact CD2-NE1 3.66Å; H102-W363 WeakPolarHBondContact O-CA 3.43Å; G104-W363 WeakPolarHBondContact O-CB 3.46Å; P106-W363 HydrophobicContact CB-CD2 4.37Å; P106-W363 HydrophobicContact CB-CG 4.37Å; P106-W363 HydrophobicContact CG-CB 3.93Å; P106-W363 HydrophobicContact CG-CD2 3.73Å; P106-W363 HydrophobicContact CG-CE3 4.11Å; P106-W363 HydrophobicContact CG-CG 3.65Å; L229-W363 HydrophobicContact CB-CH2 3.97Å; L229-W363 HydrophobicContact CB-CZ3 4.28Å; L229-W363 HydrophobicContact CD1-CE3 4.33Å; L229-W363 HydrophobicContact CD1-CZ3 4.04Å; S230-W363 WeakPolarHBondContact OG-CH2 3.38Å; S230-W363 WeakPolarHBondContact OG-CZ2 3.49Å; C343-W363 CarbonylContact C-O 3.57Å; C343-W363 WeakPolarHBondContact CA-O 3.36Å; V344-W363 HydrophobicContact CB-CB 4.39Å; V344-W363 HydrophobicContact CB-CE3 4.47Å; V344-W363 HydrophobicContact CG1-CE3 4.43Å; V344-W363 PolarHBondContact N-O 3.11Å; V344-W363 PolarHBondContact O-N 2.84Å; Q346-W363 HydrophobicContact CB-CH2 4.26Å; Q346-W363 HydrophobicContact CB-CZ3 3.79Å; I361-W363 HydrophobicContact CB-CH2 3.81Å; I361-W363 HydrophobicContact CB-CZ2 4.37Å; I361-W363 HydrophobicContact CB-CZ3 4Å; I361-W363 HydrophobicContact CG2-CD2 4.2Å; I361-W363 HydrophobicContact CG2-CE3 4.11Å; I361-W363 HydrophobicContact CG2-CH2 3.31Å; I361-W363 HydrophobicContact CG2-CZ2 3.39Å; I361-W363 HydrophobicContact CG2-CZ3 3.68Å
364H95.7Very high83.1Confident18 Ų1845.3 Ų45.38%0.08327%0.272CS..EExtended strand (participates in β ladder)trans-131.7132.1178.37088.7000111.3H102 G104 I302 F342 T366H102-H364 PolarHBondContact O-N 3.45Å; G104-H364 PolarHBondContact N-O 3.43Å; G104-H364 PolarHBondContact O-N 3.03Å; I302-H364 HydrophobicContact CD1-CB 4.33Å; I302-H364 HydrophobicContact CG1-CB 4.45Å; F342-H364 CarbonylContact O-C 3.6Å; F342-H364 WeakPolarHBondContact O-CA 3.23Å; H364-T366 HydrophobicContact CB-CG2 4.4Å
365D93.5Very high81.4Confident30 Ų3047.7 Ų47.716%0.1628%0.283CS..EExtended strand (participates in β ladder)trans-126.5108.3174.2-168.88.4000108.9L105 F342 K368L105-D365 HydrophobicContact CD2-CB 4.2Å; L105-D365 HydrophobicContact CG-CB 4.12Å; F342-D365 PolarHBondContact N-O 3.43Å; F342-D365 PolarHBondContact O-N 2.93Å; D365-K368 WeakPolarHBondContact OD1-CE 3.26Å; D365-K368 IonicContact OD1-NZ 3.1Å; D365-K368 PolarHBondContact OD1-NZ 3.02Å; D365-K368 WeakPolarHBondContact OD2-CE 3.26Å; D365-K368 IonicContact OD2-NZ 3.52Å; D365-K368 PolarHBondContact OD2-NZ 3.05Å
366T86.4Confident79.7Confident33 Ų3349.9 Ų49.920%0.20229%0.286CS..EExtended strand (participates in β ladder)trans-114.2160.8-16257.80000111.6A298 D341 H364 K368A298-T366 HydrophobicContact CB-CG2 3.29Å; D341-T366 HydrophobicContact CB-CG2 4.35Å; D341-T366 WeakPolarHBondContact OD1-CA 3.5Å; D341-T366 WeakPolarHBondContact OD1-CB 3.37Å; H364-T366 HydrophobicContact CB-CG2 4.4Å; T366-K368 PolarHBondContact O-N 3.18Å
367S76.9Confident77.9Confident27 Ų2745.3 Ų45.319%0.18926%0.263CS..EExtended strand (participates in β ladder)trans62.236.7172.4-54.60000115.1K294 F340 D341 L369K294-S367 VanDerWaalsContact CB-OG 3.3Å; K294-S367 WeakPolarHBondContact CB-OG 3.47Å; K294-S367 WeakPolarHBondContact CD-OG 3.45Å; K294-S367 WeakPolarHBondContact CG-OG 3.37Å; F340-S367 PolarHBondContact O-N 3.34Å; D341-S367 PolarHBondContact OD1-N 3.13Å; S367-L369 PolarHBondContact O-N 3.34Å; S367-L369 VanDerWaalsContact O-N 3.12Å
368K82.8Confident75.5Confident93 Ų9350.3 Ų50.340%0.40428%0.278SS..EExtended strand (participates in β ladder)trans-75.7100.4167.4-57.9-55.1-174.8-166.50108.7F340 F342 D365 T366F340-K368 HydrophobicContact CB-CB 4.33Å; F340-K368 PolarHBondContact N-O 3.14Å; F340-K368 PolarHBondContact O-N 2.94Å; F342-K368 HydrophobicContact CD2-CG 4.18Å; F342-K368 HydrophobicContact CE2-CB 4.18Å; F342-K368 HydrophobicContact CE2-CG 3.94Å; D365-K368 WeakPolarHBondContact OD1-CE 3.26Å; D365-K368 IonicContact OD1-NZ 3.1Å; D365-K368 PolarHBondContact OD1-NZ 3.02Å; D365-K368 WeakPolarHBondContact OD2-CE 3.26Å; D365-K368 IonicContact OD2-NZ 3.52Å; D365-K368 PolarHBondContact OD2-NZ 3.05Å; T366-K368 PolarHBondContact O-N 3.18Å
369L78.2Confident72.7Confident98 Ų9859 Ų5951%0.51331%0.308SS..EExtended strand (participates in β ladder)trans-85120.9178.7177.560.8000109.3N338 N339 S367 I371N338-L369 HydrophobicContact CB-CD1 4.02Å; N339-L369 WeakPolarHBondContact OD1-CB 3.39Å; N339-L369 WeakPolarHBondContact OD1-CD1 3.42Å; S367-L369 PolarHBondContact O-N 3.34Å; S367-L369 VanDerWaalsContact O-N 3.12Å; L369-I371 HydrophobicContact CD1-CD1 4.12Å; L369-I371 HydrophobicContact CD1-CG1 3.97Å; L369-I371 HydrophobicContact CD2-CD1 3.32Å; L369-I371 HydrophobicContact CD2-CG1 4.04Å; L369-I371 HydrophobicContact CG-CD1 3.64Å; L369-I371 HydrophobicContact CG-CG1 3.76Å
370I71.5Confident69.9Low48 Ų4872.2 Ų72.225%0.24637%0.365CS..  trans-96.9105.7172.7-59.2-176.9000108I129 F174 N338 F340I129-I370 HydrophobicContact CD1-CG2 3.37Å; I129-I370 HydrophobicContact CG1-CG2 3.73Å; F174-I370 HydrophobicContact CE2-CD1 3.88Å; F174-I370 HydrophobicContact CZ-CD1 3.71Å; N338-I370 PolarHBondContact O-N 3.43Å; F340-I370 HydrophobicContact CD2-CD1 3.62Å; F340-I370 HydrophobicContact CD2-CG1 3.93Å; F340-I370 HydrophobicContact CE2-CD1 3.53Å; F340-I370 HydrophobicContact CE2-CG1 4.08Å; F340-I370 HydrophobicContact CZ-CD1 4.36Å
371I66.9Low68.6Low112 Ų11275.9 Ų75.957%0.57438%0.383SS*.  trans-115.3134.5170.7-69.9163.5000108.6L369L369-I371 HydrophobicContact CD1-CD1 4.12Å; L369-I371 HydrophobicContact CD1-CG1 3.97Å; L369-I371 HydrophobicContact CD2-CD1 3.32Å; L369-I371 HydrophobicContact CD2-CG1 4.04Å; L369-I371 HydrophobicContact CG-CD1 3.64Å; L369-I371 HydrophobicContact CG-CG1 3.76Å
372C58.8Low67.1Low8 Ų879.6 Ų79.65%0.05440%0.402CS..  trans-80.6119164.5-178.50000108.5I129 C374 C377I129-C372 HydrophobicContact CB-CB 4.27Å; I129-C372 HydrophobicContact CD1-CB 3.91Å; I129-C372 HydrophobicContact CG2-CB 3.79Å; C372-C374 PolarHBondContact O-N 3.32Å; C372-C374 VanDerWaalsContact O-N 3.16Å; C372-C374 WeakPolarHBondContact SG-CB 3.24Å; C372-C374 PolarHBondContact SG-N 3.16Å; C372-C377 HydrophobicContact CB-CB 4.05Å; C372-C377 WeakPolarHBondContact O-CB 3.28Å
373S55.2Low65.4Low109 Ų10984.1 Ų84.176%0.76243%0.425SS*.  trans-70.41.6174.753.70000113.6S375S373-S375 PolarHBondContact O-N 3.28Å
374C51.6Low63.5Low40 Ų4087.4 Ų87.427%0.2744%0.444SS..  trans-59.6135.3179.7-175.20000111.3C372 Q376 C377 M378C372-C374 PolarHBondContact O-N 3.32Å; C372-C374 VanDerWaalsContact O-N 3.16Å; C372-C374 WeakPolarHBondContact SG-CB 3.24Å; C372-C374 PolarHBondContact SG-N 3.16Å; C374-Q376 PolarHBondContact O-N 3.35Å; C374-Q376 VanDerWaalsContact O-N 3.11Å; C374-Q376 PolarHBondContact SG-N 3.24Å; C374-C377 HydrophobicContact CB-CB 4.45Å; C374-C377 WeakPolarHBondContact O-CA 3.28Å; C374-C377 WeakPolarHBondContact O-CB 3.46Å; C374-C377 PolarHBondContact O-N 3.05Å; C374-M378 PolarHBondContact O-N 3.35Å
375S52.5Low61.5Low86 Ų8691.8 Ų91.860%0.60147%0.466SS*.Hα-helixtrans-52.6-32.4174.359.40000112.5S373 M378 R379S373-S375 PolarHBondContact O-N 3.28Å; S375-M378 PolarHBondContact O-N 3.45Å; S375-R379 PolarHBondContact O-N 3.48Å
376Q49.3Very low59.4Low117 Ų11795.9 Ų95.955%0.54749%0.487SS..Hα-helixtrans-65.7-43.2173.2-72172-900111.3M130 K134 C374 M378M130-Q376 HydrophobicContact CE-CB 4.39Å; K134-Q376 WeakPolarHBondContact CE-O 3.49Å; K134-Q376 PolarHBondContact NZ-O 3.47Å; C374-Q376 PolarHBondContact O-N 3.35Å; C374-Q376 VanDerWaalsContact O-N 3.11Å; C374-Q376 PolarHBondContact SG-N 3.24Å; Q376-M378 VanDerWaalsContact C-N 3.34Å; Q376-M378 PolarHBondContact O-N 3.03Å
377C48.3Very low57.5Low32 Ų32100.4 Ų100.422%0.21651%0.507CS..Hα-helixtrans-65.1-31.8176.9-93.40000113.9M130 C372 C374M130-C377 PolarHBondContact SD-SG 3.2Å; C372-C377 HydrophobicContact CB-CB 4.05Å; C372-C377 WeakPolarHBondContact O-CB 3.28Å; C374-C377 HydrophobicContact CB-CB 4.45Å; C374-C377 WeakPolarHBondContact O-CA 3.28Å; C374-C377 WeakPolarHBondContact O-CB 3.46Å; C374-C377 PolarHBondContact O-N 3.05Å
378M41.3Very low56Low143 Ų143106 Ų10670%0.70453%0.532SS*.Hα-helixtrans-81.3-17-177.5-68.3-144.7-76.200115.3C374 S375 Q376 K380C374-M378 PolarHBondContact O-N 3.35Å; S375-M378 PolarHBondContact O-N 3.45Å; Q376-M378 VanDerWaalsContact C-N 3.34Å; Q376-M378 PolarHBondContact O-N 3.03Å; M378-K380 PolarHBondContact O-N 3.43Å
379R34.4Very low53.7Low213 Ų213107.1 Ų107.180%0.80454%0.542SS*.  trans-71.798.2170.6-70.5-172.9-174.1-175.51.7109.2S375S375-R379 PolarHBondContact O-N 3.48Å
380K36.8Very low51.5Low279 Ų279107.9 Ų107.9100%1.21355%0.545SS*.  trans-82.60165.2-86.7-171177.7178.20110.9M378M378-K380 PolarHBondContact O-N 3.43Å

Retrieved 380 of 380 residues in 477.9 ms (Link to these results)

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