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Ubiquitin thioesterase OTU

Hydrolase that can remove conjugated ubiquitin from proteins and may therefore play an important regulatory role at the level of protein turnover by preventing degradation.

AlphaFold DB , UniProt , Accession G4VDY7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 331 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
1M37.8Very low49Very low247 Ų247136.1 Ų136.1100%1.21775%0.751SS**  0121.20-75.6173.2174.900107.1
2Q31Very low52Low200 Ų200126.1 Ų126.194%0.93570%0.695SS**PPolyproline II helixtrans-61.8129.5-168.9-77.6157.7-19.700111.7
3A40.9Very low54.6Low100 Ų100125.9 Ų125.983%0.82668%0.683SS**PPolyproline II helixtrans-79.3126.5170.600000109.2
4C35.8Very low57Low112 Ų112116.9 Ų116.976%0.75764%0.635SS**PPolyproline II helixtrans-59.5143.8170-710000110.5L6C4-L6 PolarHBondContact O-N 2.76Å
5P38.4Very low59.1Low127 Ų127116.2 Ų116.283%0.82562%0.619SS**PPolyproline II helixtrans-69.3119.9172.929.2-29.1000108.2N7P5-N7 PolarHBondContact O-N 3.35Å
6L40.5Very low60.9Low144 Ų144108.9 Ų108.975%0.75458%0.58SS**PPolyproline II helixtrans-63.3131.9169.5-83.1139.3000108.3C4C4-L6 PolarHBondContact O-N 2.76Å
7N45.7Very low62.3Low132 Ų132109.9 Ų109.971%0.70657%0.574SS**PPolyproline II helixtrans-63.8133.6-179.2-135.8-0.6000108.9P5 K9P5-N7 PolarHBondContact O-N 3.35Å; N7-K9 PolarHBondContact O-N 3.13Å
8S52.5Low63.4Low63 Ų63104.7 Ų104.744%0.44155%0.546SS..THydrogen-bonded Turntrans-74.235.7-165.771.10000115.5D31S8-D31 WeakPolarHBondContact CB-OD1 3.3Å
9K62.8Low63.7Low175 Ų175108.2 Ų108.276%0.76155%0.551SS**THydrogen-bonded Turntrans-147.512.9-179.9-69.8-166.8178.6-177.50114.3N7 L11N7-K9 PolarHBondContact O-N 3.13Å; K9-L11 PolarHBondContact O-N 3.1Å
10D70.8Confident63.8Low78 Ų78105.1 Ų105.142%0.41754%0.538SS..PPolyproline II helixtrans-72.1125.5-176.4-70.1-23.6000110.2L12 T29 S30D10-L12 PolarHBondContact O-N 2.67Å; D10-T29 WeakPolarHBondContact O-CA 3.24Å; D10-S30 PolarHBondContact O-N 3.4Å
11L83.3Confident64.2Low119 Ų119101 Ų10162%0.62352%0.521SS*.EExtended strand (participates in β ladder)trans-59.7121.3171.2-88.3137.4000109.4K9 N26K9-L11 PolarHBondContact O-N 3.1Å; L11-N26 WeakPolarHBondContact CD2-O 3.23Å
12L84.2Confident66.3Low16 Ų1693.4 Ų93.48%0.08448%0.483CS..EExtended strand (participates in β ladder)trans-90.6119.7175.3-84.6170.6000109.2D10 L14 L28 T29 L74 S81D10-L12 PolarHBondContact O-N 2.67Å; L12-L14 HydrophobicContact CB-CG 4.34Å; L12-L14 HydrophobicContact CD2-CD2 4.33Å; L12-L28 PolarHBondContact N-O 3.31Å; L12-T29 WeakPolarHBondContact CD1-O 3.18Å; L12-L74 HydrophobicContact CD1-CB 3.79Å; L12-L74 HydrophobicContact CD1-CD1 3.76Å; L12-L74 HydrophobicContact CD1-CG 4.44Å; L12-S81 VanDerWaalsContact CD2-N 3.29Å
13K86.4Confident68.8Low124 Ų12485 Ų8554%0.53944%0.443SS..EExtended strand (participates in β ladder)trans-96.2103.2168.2-63.5-170.4178-177.40108.7L25 N26 S81 G82K13-L25 CarbonylContact C-O 3.57Å; K13-L25 WeakPolarHBondContact CA-O 3.31Å; K13-N26 WeakPolarHBondContact CG-OD1 3.3Å; K13-S81 PolarHBondContact N-OG 2.96Å; K13-G82 PolarHBondContact O-N 3.44Å
14L88.3Confident71.1Confident0 Ų083.7 Ų83.70%043%0.425CS..EExtended strand (participates in β ladder)trans-106.4133-178.5-59.7-179.8000110.2L12 T24 L25 L28 L37 L74 I79 R80 L85L12-L14 HydrophobicContact CB-CG 4.34Å; L12-L14 HydrophobicContact CD2-CD2 4.33Å; L14-T24 CarbonylContact O-C 3.54Å; L14-T24 VanDerWaalsContact O-CA 3.3Å; L14-T24 WeakPolarHBondContact O-CA 3.18Å; L14-L25 HydrophobicContact CB-CB 4.38Å; L14-L25 PolarHBondContact N-O 3.48Å; L14-L25 PolarHBondContact O-N 3.48Å; L14-L28 HydrophobicContact CD1-CD1 4.2Å; L14-L37 HydrophobicContact CD1-CD1 4.23Å; L14-L74 HydrophobicContact CD1-CD1 4.41Å; L14-I79 HydrophobicContact CD1-CG2 4.12Å; L14-I79 HydrophobicContact CD2-CG2 3.36Å; L14-I79 HydrophobicContact CG-CG2 4.4Å; L14-R80 WeakPolarHBondContact CD2-O 3.47Å; L14-L85 HydrophobicContact CD1-CD1 4.14Å
15R88.5Confident73.6Confident106 Ų10678.7 Ų78.740%0.439%0.391SS..EExtended strand (participates in β ladder)trans-93.2124.1172.3-64.3179.7-69.2170.9-3.4108.4Y23 T24 G82 D83 M84 L85R15-Y23 CarbonylContact C-O 3.56Å; R15-Y23 VanDerWaalsContact CA-O 3.29Å; R15-Y23 WeakPolarHBondContact CA-O 3.41Å; R15-T24 HydrophobicContact CG-CG2 4.44Å; R15-G82 PolarHBondContact NE-O 2.64Å; R15-G82 VanDerWaalsContact NE-O 3.07Å; R15-G82 PolarHBondContact NH2-O 2.85Å; R15-D83 PolarHBondContact N-O 3.4Å; R15-M84 HydrophobicContact CB-CE 3.58Å; R15-M84 HydrophobicContact CB-SD 3.63Å; R15-M84 HydrophobicContact CG-CE 4.4Å; R15-M84 CarbonylContact O-C 3.59Å; R15-M84 VanDerWaalsContact O-CA 3.25Å; R15-M84 WeakPolarHBondContact O-CA 3.29Å; R15-L85 PolarHBondContact O-N 3.39Å
16C88.2Confident75.9Confident0 Ų076.7 Ų76.70%037%0.373CS..EExtended strand (participates in β ladder)trans-110.2117.1177.9-68.50000109.3F18 Q22 Y23 L25 L85 V87C16-F18 HydrophobicContact CB-CD2 4.22Å; C16-F18 HydrophobicContact CB-CE2 3.31Å; C16-F18 HydrophobicContact CB-CZ 3.75Å; C16-F18 VanDerWaalsContact O-CD2 3.28Å; C16-F18 WeakPolarHBondContact O-CD2 3.47Å; C16-F18 WeakPolarHBondContact O-CE2 3.46Å; C16-Q22 CarbonylContact O-C 3.48Å; C16-Q22 VanDerWaalsContact O-CA 3.24Å; C16-Q22 WeakPolarHBondContact O-CA 3.48Å; C16-Y23 PolarHBondContact N-O 2.81Å; C16-Y23 PolarHBondContact O-N 3.29Å; C16-L25 VanDerWaalsContact SG-CD1 3.54Å; C16-L85 CarbonylContact C-O 3.54Å; C16-L85 VanDerWaalsContact CA-O 3.26Å; C16-L85 WeakPolarHBondContact CA-O 3.44Å; C16-V87 HydrophobicContact CB-CG2 4.07Å
17R83.6Confident78Confident125 Ų12574.6 Ų74.647%0.47236%0.363SS..EExtended strand (participates in β ladder)trans-91.9122.8172.6-179.3-175.7-62.7168.3-1.2109.6M84 L85 T86 V87R17-M84 HydrophobicContact CB-CG 4.33Å; R17-M84 HydrophobicContact CB-SD 3.83Å; R17-L85 PolarHBondContact N-O 2.95Å; R17-T86 CarbonylContact O-C 3.59Å; R17-T86 WeakPolarHBondContact O-CA 3.48Å; R17-V87 PolarHBondContact O-N 3.02Å
18F81.9Confident80.1Confident17 Ų1768.5 Ų68.58%0.07533%0.33CS..EExtended strand (participates in β ladder)trans-112.9173175.1-57.4-104000108.6C16 T20 G21 Y23 I41 L44 I45 V87C16-F18 HydrophobicContact CB-CD2 4.22Å; C16-F18 HydrophobicContact CB-CE2 3.31Å; C16-F18 HydrophobicContact CB-CZ 3.75Å; C16-F18 VanDerWaalsContact O-CD2 3.28Å; C16-F18 WeakPolarHBondContact O-CD2 3.47Å; C16-F18 WeakPolarHBondContact O-CE2 3.46Å; F18-T20 PolarHBondContact O-N 3.31Å; F18-G21 PolarHBondContact N-O 3.26Å; F18-G21 PolarHBondContact O-N 3.04Å; F18-G21 VanDerWaalsContact O-O 3.12Å; F18-Y23 AromaticContact CD2-CD2 3.28Å; F18-Y23 HydrophobicContact CD2-CD2 3.28Å; F18-Y23 AromaticContact CD2-CE2 3.76Å; F18-Y23 HydrophobicContact CD2-CE2 3.76Å; F18-Y23 HydrophobicContact CD2-CG 4.4Å; F18-Y23 AromaticContact CE2-CD2 3.27Å; F18-Y23 HydrophobicContact CE2-CD2 3.27Å; F18-Y23 HydrophobicContact CE2-CE2 4.08Å; F18-Y23 HydrophobicContact CE2-CG 4.03Å; F18-Y23 HydrophobicContact CG-CD2 4.28Å; F18-Y23 HydrophobicContact CG-CE2 4.36Å; F18-Y23 HydrophobicContact CZ-CD2 4.27Å; F18-I41 HydrophobicContact CE1-CG2 3.8Å; F18-I41 HydrophobicContact CZ-CG2 4.06Å; F18-L44 HydrophobicContact CE2-CD2 4.13Å; F18-L44 HydrophobicContact CZ-CD2 3.87Å; F18-I45 HydrophobicContact CD1-CD1 4.37Å; F18-I45 HydrophobicContact CD1-CG2 3.68Å; F18-I45 HydrophobicContact CE1-CD1 4.13Å; F18-I45 HydrophobicContact CE1-CG2 3.36Å; F18-I45 HydrophobicContact CZ-CG2 4.02Å; F18-V87 HydrophobicContact CD1-CB 3.51Å; F18-V87 HydrophobicContact CD1-CG1 3.74Å; F18-V87 HydrophobicContact CD1-CG2 3.98Å; F18-V87 HydrophobicContact CD2-CG2 4.49Å; F18-V87 HydrophobicContact CE1-CB 3.55Å; F18-V87 HydrophobicContact CE1-CG1 3.55Å; F18-V87 HydrophobicContact CE1-CG2 3.59Å; F18-V87 HydrophobicContact CE2-CG2 4.16Å; F18-V87 HydrophobicContact CG-CB 4.12Å; F18-V87 HydrophobicContact CG-CG2 4.43Å; F18-V87 HydrophobicContact CZ-CB 4.18Å; F18-V87 HydrophobicContact CZ-CG1 4.46Å; F18-V87 HydrophobicContact CZ-CG2 3.7Å
19R69.4Low81.8Confident170 Ų17067.6 Ų67.664%0.64232%0.322SS*.THydrogen-bonded Turntrans-62.9-26.6168.6-63.9-174.2-176.2-159.11.1112.5D88R19-D88 IonicContact CZ-OD1 2.75Å; R19-D88 IonicContact NE-OD1 2.89Å; R19-D88 PolarHBondContact NE-OD1 3.41Å; R19-D88 VanDerWaalsContact NE-OD1 3.11Å; R19-D88 IonicContact NH2-OD1 3.06Å; R19-D88 PolarHBondContact NH2-OD1 2.94Å; R19-D88 IonicContact NH2-OD2 3.42Å
20T66.7Low82.9Confident46 Ų4660 Ų6028%0.28229%0.29SS..THydrogen-bonded Turntrans-90.8-4.4-177.152.40000114.3F18 C226 Q279 S283F18-T20 PolarHBondContact O-N 3.31Å; T20-C226 WeakPolarHBondContact O-CB 3.26Å; T20-Q279 VanDerWaalsContact O-CG 3.23Å; T20-Q279 WeakPolarHBondContact O-CG 3.46Å; T20-Q279 PolarHBondContact O-NE2 3.35Å; T20-Q279 VanDerWaalsContact O-NE2 3.14Å; T20-S283 VanDerWaalsContact CB-OG 3.31Å; T20-S283 WeakPolarHBondContact CB-OG 3.24Å; T20-S283 WeakPolarHBondContact CG2-OG 3.47Å
21G71Confident83.7Confident19 Ų1959 Ų5920%0.19629%0.286CS..EExtended strand (participates in β ladder)trans147-162.2-174.400000114.9F18 Q279F18-G21 PolarHBondContact N-O 3.26Å; F18-G21 PolarHBondContact O-N 3.04Å; F18-G21 VanDerWaalsContact O-O 3.12Å; G21-Q279 VanDerWaalsContact CA-NE2 3.33Å
22Q82.1Confident84.1Confident88 Ų8853.9 Ų53.941%0.41126%0.259SS..EExtended strand (participates in β ladder)trans-130.5134.5176.3-170.1-168.6-62.900110.1C16 M84C16-Q22 CarbonylContact O-C 3.48Å; C16-Q22 VanDerWaalsContact O-CA 3.24Å; C16-Q22 WeakPolarHBondContact O-CA 3.48Å; Q22-M84 HydrophobicContact CG-CE 4.1Å; Q22-M84 HydrophobicContact CG-SD 3.96Å
23Y83.8Confident84.6Confident23 Ų2354.3 Ų54.39%0.0926%0.263CS..EExtended strand (participates in β ladder)trans-121.1153.5-179.4-63.1-84.3000110.5R15 C16 F18 L44 F276 Q279R15-Y23 CarbonylContact C-O 3.56Å; R15-Y23 VanDerWaalsContact CA-O 3.29Å; R15-Y23 WeakPolarHBondContact CA-O 3.41Å; C16-Y23 PolarHBondContact N-O 2.81Å; C16-Y23 PolarHBondContact O-N 3.29Å; F18-Y23 AromaticContact CD2-CD2 3.28Å; F18-Y23 HydrophobicContact CD2-CD2 3.28Å; F18-Y23 AromaticContact CD2-CE2 3.76Å; F18-Y23 HydrophobicContact CD2-CE2 3.76Å; F18-Y23 HydrophobicContact CD2-CG 4.4Å; F18-Y23 AromaticContact CE2-CD2 3.27Å; F18-Y23 HydrophobicContact CE2-CD2 3.27Å; F18-Y23 HydrophobicContact CE2-CE2 4.08Å; F18-Y23 HydrophobicContact CE2-CG 4.03Å; F18-Y23 HydrophobicContact CG-CD2 4.28Å; F18-Y23 HydrophobicContact CG-CE2 4.36Å; F18-Y23 HydrophobicContact CZ-CD2 4.27Å; Y23-L44 HydrophobicContact CD1-CD1 4.35Å; Y23-L44 HydrophobicContact CD1-CD2 4.11Å; Y23-L44 HydrophobicContact CD2-CD2 4.07Å; Y23-L44 HydrophobicContact CG-CD2 3.65Å; Y23-F276 HydrophobicContact CD1-CD2 4.05Å; Y23-F276 HydrophobicContact CD1-CE2 4.25Å; Y23-F276 HydrophobicContact CE1-CB 4.38Å; Y23-F276 AromaticContact CE1-CD2 3.04Å; Y23-F276 HydrophobicContact CE1-CD2 3.04Å; Y23-F276 AromaticContact CE1-CE2 3.35Å; Y23-F276 HydrophobicContact CE1-CE2 3.35Å; Y23-F276 AromaticContact CE1-CG 3.96Å; Y23-F276 HydrophobicContact CE1-CG 3.96Å; Y23-F276 AromaticContact CZ-CD2 3.51Å; Y23-F276 AromaticContact CZ-CE2 3.48Å; Y23-F276 VanDerWaalsContact CZ-CE2 3.48Å; Y23-F276 VanDerWaalsContact OH-CD2 3.28Å; Y23-F276 WeakPolarHBondContact OH-CD2 3.44Å; Y23-F276 VanDerWaalsContact OH-CE2 3.26Å; Y23-F276 WeakPolarHBondContact OH-CE2 3.22Å; Y23-Q279 PolarHBondContact OH-OE1 3.26Å
24T88.5Confident84.9Confident74 Ų7448.5 Ų48.545%0.45424%0.237SC..EExtended strand (participates in β ladder)trans-113.2116.8171.9-52.60000109.1L14 R15 N26L14-T24 CarbonylContact O-C 3.54Å; L14-T24 VanDerWaalsContact O-CA 3.3Å; L14-T24 WeakPolarHBondContact O-CA 3.18Å; R15-T24 HydrophobicContact CG-CG2 4.44Å; T24-N26 WeakPolarHBondContact CG2-OD1 3.44Å
25L88.6Confident85.1Confident7 Ų750.7 Ų50.74%0.03725%0.249CC..EExtended strand (participates in β ladder)trans-82.3125.9171.5-50.8-175.2000108.4K13 L14 C16 L28 L37 T40 I41 L44K13-L25 CarbonylContact C-O 3.57Å; K13-L25 WeakPolarHBondContact CA-O 3.31Å; L14-L25 HydrophobicContact CB-CB 4.38Å; L14-L25 PolarHBondContact N-O 3.48Å; L14-L25 PolarHBondContact O-N 3.48Å; C16-L25 VanDerWaalsContact SG-CD1 3.54Å; L25-L28 HydrophobicContact CB-CD1 4.34Å; L25-L28 HydrophobicContact CD1-CD1 3.94Å; L25-L37 HydrophobicContact CD1-CD1 3.63Å; L25-T40 HydrophobicContact CD1-CG2 4.13Å; L25-T40 HydrophobicContact CD2-CG2 3.82Å; L25-T40 HydrophobicContact CG-CG2 4.43Å; L25-I41 HydrophobicContact CD1-CD1 4.47Å; L25-I41 HydrophobicContact CD1-CG1 3.99Å; L25-L44 HydrophobicContact CD2-CD2 4.15Å
26N86.7Confident85.3Confident85 Ų8549.5 Ų49.546%0.45525%0.248SC..EExtended strand (participates in β ladder)trans-125.32.9-175.3-65.5-46.1000113L11 K13 T24L11-N26 WeakPolarHBondContact CD2-O 3.23Å; K13-N26 WeakPolarHBondContact CG-OD1 3.3Å; T24-N26 WeakPolarHBondContact CG2-OD1 3.44Å
27D85.5Confident85.5Confident100 Ų10049.5 Ų49.554%0.53525%0.248SC..EExtended strand (participates in β ladder)trans-103.7-0.1-172.759.8-37.9000113.3T40D27-T40 WeakPolarHBondContact OD2-CG2 3.34Å; D27-T40 PolarHBondContact OD2-OG1 2.75Å
28L89Confident86Confident4 Ų443.7 Ų43.72%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-98.8152.3179.9-62.5169.8000111.2L12 L14 L25 E36 L37 L74L12-L28 PolarHBondContact N-O 3.31Å; L14-L28 HydrophobicContact CD1-CD1 4.2Å; L25-L28 HydrophobicContact CB-CD1 4.34Å; L25-L28 HydrophobicContact CD1-CD1 3.94Å; L28-E36 HydrophobicContact CD2-CB 4.35Å; L28-L37 HydrophobicContact CD1-CB 4.2Å; L28-L37 HydrophobicContact CD1-CD1 3.5Å; L28-L37 VanDerWaalsContact CD1-CD1 3.5Å; L28-L37 HydrophobicContact CD1-CG 4.45Å; L28-L74 HydrophobicContact CB-CD1 4.15Å; L28-L74 HydrophobicContact CD1-CD1 4.23Å
29T89.5Confident86.4Confident44 Ų4447.6 Ų47.627%0.2725%0.245SC..EExtended strand (participates in β ladder)trans-122.2167.7174.967.10000110.4D10 L12 D31 S32D10-T29 WeakPolarHBondContact O-CA 3.24Å; L12-T29 WeakPolarHBondContact CD1-O 3.18Å; T29-D31 PolarHBondContact O-N 3.47Å; T29-D31 VanDerWaalsContact O-N 3.12Å; T29-D31 PolarHBondContact OG1-N 3.45Å; T29-S32 PolarHBondContact N-OG 2.87Å; T29-S32 VanDerWaalsContact O-CB 3.25Å; T29-S32 WeakPolarHBondContact O-CB 3.32Å; T29-S32 PolarHBondContact O-N 2.77Å; T29-S32 PolarHBondContact O-OG 2.93Å; T29-S32 PolarHBondContact OG1-N 3.32Å; T29-S32 PolarHBondContact OG1-OG 2.87Å
30S84.4Confident87.4Confident14 Ų1440.8 Ų40.810%0.09822%0.222CC..THydrogen-bonded Turntrans-50.9-33.6172.157.70000113.3D10 S32 W75D10-S30 PolarHBondContact O-N 3.4Å; S30-S32 VanDerWaalsContact C-N 3.33Å; S30-W75 VanDerWaalsContact O-CD1 3.26Å; S30-W75 PolarHBondContact O-N 3.41Å; S30-W75 VanDerWaalsContact O-N 3.16Å
31D88.5Confident88.5Confident59 Ų5938.6 Ų38.632%0.31621%0.209SC..THydrogen-bonded Turntrans-85.5-4-179.9-74.212.1000112.8S8 T29 H73S8-D31 WeakPolarHBondContact CB-OD1 3.3Å; T29-D31 PolarHBondContact O-N 3.47Å; T29-D31 VanDerWaalsContact O-N 3.12Å; T29-D31 PolarHBondContact OG1-N 3.45Å; D31-H73 PolarHBondContact O-CE1 2.73Å; D31-H73 VanDerWaalsContact O-CE1 3.26Å; D31-H73 PolarHBondContact O-ND1 2.96Å
32S91.7Very high89.3Confident10 Ų1039.3 Ų39.37%0.0721%0.209CC..  trans-64.3155.3172.7-68.50000111T29 S30 E36 H73 L74T29-S32 PolarHBondContact N-OG 2.87Å; T29-S32 VanDerWaalsContact O-CB 3.25Å; T29-S32 WeakPolarHBondContact O-CB 3.32Å; T29-S32 PolarHBondContact O-N 2.77Å; T29-S32 PolarHBondContact O-OG 2.93Å; T29-S32 PolarHBondContact OG1-N 3.32Å; T29-S32 PolarHBondContact OG1-OG 2.87Å; S30-S32 VanDerWaalsContact C-N 3.33Å; S32-E36 WeakPolarHBondContact CA-OE2 3.42Å; S32-E36 WeakPolarHBondContact CB-OE2 3.33Å; S32-E36 PolarHBondContact OG-OE2 3.46Å; S32-H73 CarbonylContact O-C 3.48Å; S32-H73 WeakPolarHBondContact O-CA 3.46Å; S32-L74 WeakPolarHBondContact O-CG 3.33Å; S32-L74 PolarHBondContact O-N 3.49Å
33T93.7Very high89.5Confident25 Ų2540.2 Ų40.215%0.15323%0.225CC..BIsolated β-bridgetrans-96.4165.4179.563.50000112.7D35 E36 L37 K72T33-D35 PolarHBondContact O-N 2.85Å; T33-E36 PolarHBondContact N-OE2 2.82Å; T33-E36 PolarHBondContact O-N 3.26Å; T33-E36 WeakPolarHBondContact OG1-CG 3.43Å; T33-E36 PolarHBondContact OG1-N 3.21Å; T33-E36 VanDerWaalsContact OG1-N 3.16Å; T33-L37 PolarHBondContact O-N 3.42Å; T33-K72 CarbonylContact C-O 3.5Å; T33-K72 VanDerWaalsContact CA-O 3.24Å; T33-K72 WeakPolarHBondContact CA-O 3.11Å
34I92.5Very high89.5Confident2 Ų241 Ų411%0.0123%0.231CC..Hα-helixtrans-60.2-35.8170-64.5-177.1000110.6L37 L38 S69 L70 K72 L74 I77I34-L37 PolarHBondContact O-N 2.91Å; I34-L38 HydrophobicContact CG2-CD1 4.12Å; I34-L38 HydrophobicContact CG2-CG 4.49Å; I34-L38 WeakPolarHBondContact O-CG 3.18Å; I34-L38 PolarHBondContact O-N 3.14Å; I34-S69 WeakPolarHBondContact CD1-O 3.3Å; I34-L70 HydrophobicContact CG2-CD2 4.18Å; I34-L70 PolarHBondContact N-O 3.12Å; I34-K72 PolarHBondContact N-O 2.81Å; I34-L74 HydrophobicContact CG1-CD2 4.48Å; I34-I77 HydrophobicContact CD1-CD1 4.1Å; I34-I77 HydrophobicContact CD1-CG2 4.07Å; I34-I77 HydrophobicContact CG1-CD1 3.98Å
35D93.3Very high89.2Confident46 Ų4639.6 Ų39.625%0.24622%0.22CC..Hα-helixtrans-61.9-48.3174.3-172.537.2000111.7T33 L37 L38 Q39 Q49 L70T33-D35 PolarHBondContact O-N 2.85Å; D35-L37 VanDerWaalsContact C-N 3.34Å; D35-L37 PolarHBondContact O-N 3.47Å; D35-L38 CarbonylContact O-C 3.55Å; D35-L38 WeakPolarHBondContact O-CB 3.38Å; D35-L38 PolarHBondContact O-N 2.84Å; D35-L38 VanDerWaalsContact O-N 3.08Å; D35-Q39 VanDerWaalsContact O-CG 3.31Å; D35-Q39 WeakPolarHBondContact O-CG 3.2Å; D35-Q39 PolarHBondContact O-N 3.24Å; D35-Q39 PolarHBondContact OD2-NE2 3.07Å; D35-Q49 PolarHBondContact OD1-NE2 3.42Å; D35-Q49 PolarHBondContact OD1-OE1 2.56Å; D35-L70 HydrophobicContact CB-CB 4.21Å; D35-L70 HydrophobicContact CB-CD2 4.5Å; D35-L70 PolarHBondContact N-O 2.93Å; D35-L70 VanDerWaalsContact N-O 3.12Å
36E92.8Very high88.8Confident81 Ų8142.8 Ų42.838%0.37926%0.255SS..Hα-helixtrans-59.3-43176.4-72.8171.2174.500112L28 S32 T33 L38 Q39 T40L28-E36 HydrophobicContact CD2-CB 4.35Å; S32-E36 WeakPolarHBondContact CA-OE2 3.42Å; S32-E36 WeakPolarHBondContact CB-OE2 3.33Å; S32-E36 PolarHBondContact OG-OE2 3.46Å; T33-E36 PolarHBondContact N-OE2 2.82Å; T33-E36 PolarHBondContact O-N 3.26Å; T33-E36 WeakPolarHBondContact OG1-CG 3.43Å; T33-E36 PolarHBondContact OG1-N 3.21Å; T33-E36 VanDerWaalsContact OG1-N 3.16Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 2.81Å; E36-Q39 PolarHBondContact O-N 3.35Å; E36-T40 PolarHBondContact O-N 2.97Å; E36-T40 PolarHBondContact O-OG1 3.44Å; E36-T40 VanDerWaalsContact O-OG1 3.13Å
37L93.1Very high88.5Confident0 Ų039.7 Ų39.70%024%0.239CC..Hα-helixtrans-57.4-45.3172.917163.9000111.8L14 L25 L28 T33 I34 D35 T40 I41 L54 L63 L74 L85L14-L37 HydrophobicContact CD1-CD1 4.23Å; L25-L37 HydrophobicContact CD1-CD1 3.63Å; L28-L37 HydrophobicContact CD1-CB 4.2Å; L28-L37 HydrophobicContact CD1-CD1 3.5Å; L28-L37 VanDerWaalsContact CD1-CD1 3.5Å; L28-L37 HydrophobicContact CD1-CG 4.45Å; T33-L37 PolarHBondContact O-N 3.42Å; I34-L37 PolarHBondContact O-N 2.91Å; D35-L37 VanDerWaalsContact C-N 3.34Å; D35-L37 PolarHBondContact O-N 3.47Å; L37-T40 PolarHBondContact O-N 2.89Å; L37-I41 HydrophobicContact CD1-CD1 3.8Å; L37-I41 HydrophobicContact CD1-CG1 4.29Å; L37-I41 HydrophobicContact CG-CD1 4.07Å; L37-I41 VanDerWaalsContact O-CG1 3.27Å; L37-I41 WeakPolarHBondContact O-CG1 3.44Å; L37-I41 PolarHBondContact O-N 3Å; L37-L54 HydrophobicContact CD2-CD1 3.85Å; L37-L54 HydrophobicContact CG-CD1 4.18Å; L37-L63 HydrophobicContact CD2-CD2 4.44Å; L37-L74 HydrophobicContact CB-CD2 4.15Å; L37-L74 HydrophobicContact CD2-CD2 3.95Å; L37-L85 HydrophobicContact CD1-CD1 4.2Å; L37-L85 HydrophobicContact CD2-CD1 4.01Å
38L92.5Very high88.4Confident4 Ų438.8 Ų38.82%0.02124%0.237CC..Hα-helixtrans-68.1-35.6177.7-74.1169.7000112.3I34 D35 E36 T42 Q49 I52 L54 C65 L70I34-L38 HydrophobicContact CG2-CD1 4.12Å; I34-L38 HydrophobicContact CG2-CG 4.49Å; I34-L38 WeakPolarHBondContact O-CG 3.18Å; I34-L38 PolarHBondContact O-N 3.14Å; D35-L38 CarbonylContact O-C 3.55Å; D35-L38 WeakPolarHBondContact O-CB 3.38Å; D35-L38 PolarHBondContact O-N 2.84Å; D35-L38 VanDerWaalsContact O-N 3.08Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 2.81Å; L38-T42 WeakPolarHBondContact O-CB 3.24Å; L38-T42 PolarHBondContact O-N 3.08Å; L38-T42 PolarHBondContact O-OG1 3.3Å; L38-Q49 HydrophobicContact CB-CG 4.01Å; L38-I52 HydrophobicContact CD2-CB 4.22Å; L38-I52 HydrophobicContact CD2-CG2 3.78Å; L38-L54 HydrophobicContact CD2-CD1 3.75Å; L38-L54 HydrophobicContact CD2-CG 4.14Å; L38-L54 HydrophobicContact CG-CD1 4.39Å; L38-C65 HydrophobicContact CD1-CB 4.03Å; L38-L70 HydrophobicContact CD1-CD2 3.57Å
39Q90.6Very high88.2Confident98 Ų9841.4 Ų41.446%0.45825%0.249SC..Hα-helixtrans-65.5-45.7173.8-70.3179.116.200111D35 E36 I41 T42 S43D35-Q39 VanDerWaalsContact O-CG 3.31Å; D35-Q39 WeakPolarHBondContact O-CG 3.2Å; D35-Q39 PolarHBondContact O-N 3.24Å; D35-Q39 PolarHBondContact OD2-NE2 3.07Å; E36-Q39 PolarHBondContact O-N 3.35Å; Q39-I41 VanDerWaalsContact C-N 3.34Å; Q39-I41 PolarHBondContact O-N 3.46Å; Q39-T42 PolarHBondContact O-N 3.29Å; Q39-S43 VanDerWaalsContact O-CB 3.3Å; Q39-S43 WeakPolarHBondContact O-CB 3.4Å; Q39-S43 PolarHBondContact O-N 3.35Å
40T91Very high87.9Confident27 Ų2744.5 Ų44.517%0.16627%0.272CS..Hα-helixtrans-58.7-46.6174.6-62.70000110.5L25 D27 E36 L37 S43 L44L25-T40 HydrophobicContact CD1-CG2 4.13Å; L25-T40 HydrophobicContact CD2-CG2 3.82Å; L25-T40 HydrophobicContact CG-CG2 4.43Å; D27-T40 WeakPolarHBondContact OD2-CG2 3.34Å; D27-T40 PolarHBondContact OD2-OG1 2.75Å; E36-T40 PolarHBondContact O-N 2.97Å; E36-T40 PolarHBondContact O-OG1 3.44Å; E36-T40 VanDerWaalsContact O-OG1 3.13Å; L37-T40 PolarHBondContact O-N 2.89Å; T40-S43 PolarHBondContact O-N 3.29Å; T40-L44 WeakPolarHBondContact O-CB 3.31Å; T40-L44 PolarHBondContact O-N 2.85Å
41I89.5Confident87.8Confident0 Ų047.7 Ų47.70%028%0.282CS..Hα-helixtrans-65.4-44.6176.8-67.2171.5000111F18 L25 L37 Q39 S43 L44 I45 I52 L54 V87F18-I41 HydrophobicContact CE1-CG2 3.8Å; F18-I41 HydrophobicContact CZ-CG2 4.06Å; L25-I41 HydrophobicContact CD1-CD1 4.47Å; L25-I41 HydrophobicContact CD1-CG1 3.99Å; L37-I41 HydrophobicContact CD1-CD1 3.8Å; L37-I41 HydrophobicContact CD1-CG1 4.29Å; L37-I41 HydrophobicContact CG-CD1 4.07Å; L37-I41 VanDerWaalsContact O-CG1 3.27Å; L37-I41 WeakPolarHBondContact O-CG1 3.44Å; L37-I41 PolarHBondContact O-N 3Å; Q39-I41 VanDerWaalsContact C-N 3.34Å; Q39-I41 PolarHBondContact O-N 3.46Å; I41-S43 VanDerWaalsContact C-N 3.33Å; I41-S43 PolarHBondContact O-N 3.15Å; I41-L44 WeakPolarHBondContact O-CA 3.34Å; I41-L44 WeakPolarHBondContact O-CB 3.36Å; I41-L44 PolarHBondContact O-N 3.41Å; I41-I45 HydrophobicContact CG2-CD1 4.27Å; I41-I45 HydrophobicContact CG2-CG1 4.44Å; I41-I45 WeakPolarHBondContact O-CG1 3.44Å; I41-I45 PolarHBondContact O-N 3.24Å; I41-I52 HydrophobicContact CG2-CD1 3.93Å; I41-I52 HydrophobicContact CG2-CG2 4.45Å; I41-L54 HydrophobicContact CD1-CD1 4.07Å; I41-L54 HydrophobicContact CD1-CD2 3.56Å; I41-L54 HydrophobicContact CD1-CG 4.48Å; I41-V87 HydrophobicContact CD1-CG2 4.24Å; I41-V87 HydrophobicContact CG2-CG1 3.99Å
42T88.4Confident87.8Confident34 Ų3445.2 Ų45.221%0.20927%0.269CS..Hα-helixtrans-57.9-45.1177.6-66.70000111.4L38 Q39 L44 I45 G46 V47 Q49 I52L38-T42 WeakPolarHBondContact O-CB 3.24Å; L38-T42 PolarHBondContact O-N 3.08Å; L38-T42 PolarHBondContact O-OG1 3.3Å; Q39-T42 PolarHBondContact O-N 3.29Å; T42-L44 VanDerWaalsContact C-N 3.28Å; T42-L44 PolarHBondContact O-N 3.41Å; T42-I45 PolarHBondContact O-N 2.74Å; T42-G46 WeakPolarHBondContact O-CA 3.21Å; T42-G46 PolarHBondContact O-N 2.58Å; T42-V47 WeakPolarHBondContact CB-O 3.34Å; T42-V47 WeakPolarHBondContact CG2-O 3.41Å; T42-V47 PolarHBondContact OG1-O 3.26Å; T42-Q49 WeakPolarHBondContact OG1-CG 3.33Å; T42-I52 WeakPolarHBondContact OG1-CD1 3.25Å
43S85.8Confident87.6Confident107 Ų10745.7 Ų45.775%0.74827%0.272SS*.Hα-helixtrans-61.7-38.5175.3-172.80000111.4Q39 T40 I41Q39-S43 VanDerWaalsContact O-CB 3.3Å; Q39-S43 WeakPolarHBondContact O-CB 3.4Å; Q39-S43 PolarHBondContact O-N 3.35Å; T40-S43 PolarHBondContact O-N 3.29Å; I41-S43 VanDerWaalsContact C-N 3.33Å; I41-S43 PolarHBondContact O-N 3.15Å
44L84.1Confident87.4Confident41 Ų4144.5 Ų44.522%0.21527%0.265CS..Hα-helixtrans-68.8-40.2179-169.472.6000113F18 Y23 L25 T40 I41 T42 F276F18-L44 HydrophobicContact CE2-CD2 4.13Å; F18-L44 HydrophobicContact CZ-CD2 3.87Å; Y23-L44 HydrophobicContact CD1-CD1 4.35Å; Y23-L44 HydrophobicContact CD1-CD2 4.11Å; Y23-L44 HydrophobicContact CD2-CD2 4.07Å; Y23-L44 HydrophobicContact CG-CD2 3.65Å; L25-L44 HydrophobicContact CD2-CD2 4.15Å; T40-L44 WeakPolarHBondContact O-CB 3.31Å; T40-L44 PolarHBondContact O-N 2.85Å; I41-L44 WeakPolarHBondContact O-CA 3.34Å; I41-L44 WeakPolarHBondContact O-CB 3.36Å; I41-L44 PolarHBondContact O-N 3.41Å; T42-L44 VanDerWaalsContact C-N 3.28Å; T42-L44 PolarHBondContact O-N 3.41Å; L44-F276 HydrophobicContact CD1-CE1 4.22Å; L44-F276 HydrophobicContact CD1-CE2 4.31Å; L44-F276 HydrophobicContact CD1-CZ 3.9Å; L44-F276 HydrophobicContact CG-CZ 4.29Å; L44-F276 VanDerWaalsContact O-CZ 3.29Å; L44-F276 WeakPolarHBondContact O-CZ 3.43Å
45I81.5Confident87.3Confident44 Ų4447.3 Ų47.323%0.22628%0.276CS..Hα-helixtrans-110-5.1-173.366.7169.5000115.2F18 I41 T42 V47 I52 V89F18-I45 HydrophobicContact CD1-CD1 4.37Å; F18-I45 HydrophobicContact CD1-CG2 3.68Å; F18-I45 HydrophobicContact CE1-CD1 4.13Å; F18-I45 HydrophobicContact CE1-CG2 3.36Å; F18-I45 HydrophobicContact CZ-CG2 4.02Å; I41-I45 HydrophobicContact CG2-CD1 4.27Å; I41-I45 HydrophobicContact CG2-CG1 4.44Å; I41-I45 WeakPolarHBondContact O-CG1 3.44Å; I41-I45 PolarHBondContact O-N 3.24Å; T42-I45 PolarHBondContact O-N 2.74Å; I45-V47 HydrophobicContact CD1-CB 3.82Å; I45-V47 HydrophobicContact CD1-CG2 3.87Å; I45-V47 HydrophobicContact CG1-CB 3.88Å; I45-V47 HydrophobicContact CG1-CG2 3.93Å; I45-V47 PolarHBondContact O-N 3.12Å; I45-I52 HydrophobicContact CD1-CD1 4.22Å; I45-I52 HydrophobicContact CD1-CG1 4.32Å; I45-V89 HydrophobicContact CD1-CG2 3.72Å
46G81.4Confident87Confident73 Ų7347.4 Ų47.475%0.75327%0.273SS*.THydrogen-bonded Turntrans68.229.1-18000000114.5T42T42-G46 WeakPolarHBondContact O-CA 3.21Å; T42-G46 PolarHBondContact O-N 2.58Å
47V79.9Confident86.3Confident20 Ų2046.1 Ų46.112%0.12128%0.282CS..  trans-119.6136.1-175.9176.20000110.2T42 I45 R51 I52 V89T42-V47 WeakPolarHBondContact CB-O 3.34Å; T42-V47 WeakPolarHBondContact CG2-O 3.41Å; T42-V47 PolarHBondContact OG1-O 3.26Å; I45-V47 HydrophobicContact CD1-CB 3.82Å; I45-V47 HydrophobicContact CD1-CG2 3.87Å; I45-V47 HydrophobicContact CG1-CB 3.88Å; I45-V47 HydrophobicContact CG1-CG2 3.93Å; I45-V47 PolarHBondContact O-N 3.12Å; V47-R51 HydrophobicContact CG1-CB 3.52Å; V47-R51 HydrophobicContact CG1-CG 4.32Å; V47-I52 HydrophobicContact CG1-CG1 4.27Å; V47-V89 HydrophobicContact CG1-CG1 3.81Å; V47-V89 HydrophobicContact CG2-CG1 4.29Å
48T83.2Confident84.9Confident81 Ų8156.6 Ų56.650%0.49732%0.323SS..  trans-58.9139.6177.155.10000111.7S50 R51T48-S50 PolarHBondContact O-N 2.79Å; T48-S50 PolarHBondContact OG1-OG 3.22Å; T48-R51 WeakPolarHBondContact O-CB 3Å; T48-R51 PolarHBondContact O-N 3.12Å; T48-R51 WeakPolarHBondContact OG1-CD 3.33Å
49Q85Confident83.8Confident60 Ų6060.9 Ų60.928%0.2835%0.351SS..G310 helixtrans-49.6-35.2-179.7-65.3-175.3-12.500113.8D35 L38 T42 R51 I52D35-Q49 PolarHBondContact OD1-NE2 3.42Å; D35-Q49 PolarHBondContact OD1-OE1 2.56Å; L38-Q49 HydrophobicContact CB-CG 4.01Å; T42-Q49 WeakPolarHBondContact OG1-CG 3.33Å; Q49-R51 PolarHBondContact O-N 2.92Å; Q49-R51 VanDerWaalsContact O-N 3.12Å; Q49-I52 PolarHBondContact O-N 3.09Å
50S82.4Confident83.1Confident108 Ų10860 Ų6076%0.75535%0.354SS*.G310 helixtrans-58.7-22177.856.50000114.7T48T48-S50 PolarHBondContact O-N 2.79Å; T48-S50 PolarHBondContact OG1-OG 3.22Å
51R83.5Confident82.8Confident81 Ų8164.9 Ų64.931%0.30637%0.373SS..G310 helixtrans-96.4-3.7-179.5-64.6175.862.1-164.5-2.4112.7V47 T48 Q49 V89 T90V47-R51 HydrophobicContact CG1-CB 3.52Å; V47-R51 HydrophobicContact CG1-CG 4.32Å; T48-R51 WeakPolarHBondContact O-CB 3Å; T48-R51 PolarHBondContact O-N 3.12Å; T48-R51 WeakPolarHBondContact OG1-CD 3.33Å; Q49-R51 PolarHBondContact O-N 2.92Å; Q49-R51 VanDerWaalsContact O-N 3.12Å; R51-V89 HydrophobicContact CB-CG1 4.34Å; R51-V89 VanDerWaalsContact O-CA 3.29Å; R51-V89 WeakPolarHBondContact O-CA 3.48Å; R51-T90 PolarHBondContact NE-O 2.81Å; R51-T90 VanDerWaalsContact NE-O 3.14Å; R51-T90 PolarHBondContact NH2-O 2.93Å; R51-T90 PolarHBondContact O-N 3.14Å; R51-T90 PolarHBondContact O-OG1 3.26Å
52I87.4Confident82.7Confident8 Ų871.1 Ų71.14%0.04140%0.4CS..EExtended strand (participates in β ladder)trans-97.5127.8-174.9-63.3173.4000109.7L38 I41 T42 I45 V47 Q49 L54 V87L38-I52 HydrophobicContact CD2-CB 4.22Å; L38-I52 HydrophobicContact CD2-CG2 3.78Å; I41-I52 HydrophobicContact CG2-CD1 3.93Å; I41-I52 HydrophobicContact CG2-CG2 4.45Å; T42-I52 WeakPolarHBondContact OG1-CD1 3.25Å; I45-I52 HydrophobicContact CD1-CD1 4.22Å; I45-I52 HydrophobicContact CD1-CG1 4.32Å; V47-I52 HydrophobicContact CG1-CG1 4.27Å; Q49-I52 PolarHBondContact O-N 3.09Å; I52-L54 HydrophobicContact CG2-CD2 3.74Å; I52-L54 HydrophobicContact CG2-CG 4.09Å; I52-V87 HydrophobicContact CG2-CG1 3.84Å
53S87.7Confident82.7Confident19 Ų1969.9 Ų69.913%0.13339%0.392CS..EExtended strand (participates in β ladder)trans-118.5124.9166.8-74.10000109.9K62 D88S53-K62 PolarHBondContact OG-NZ 2.58Å; S53-D88 PolarHBondContact N-O 3.37Å; S53-D88 PolarHBondContact O-N 3.16Å
54L90.7Very high82.9Confident0 Ų068.6 Ų68.60%038%0.377CS..EExtended strand (participates in β ladder)trans-101141.2-179.9-58.3-179.9000110.8L37 L38 I41 I52 K62 L63 T86 V87L37-L54 HydrophobicContact CD2-CD1 3.85Å; L37-L54 HydrophobicContact CG-CD1 4.18Å; L38-L54 HydrophobicContact CD2-CD1 3.75Å; L38-L54 HydrophobicContact CD2-CG 4.14Å; L38-L54 HydrophobicContact CG-CD1 4.39Å; I41-L54 HydrophobicContact CD1-CD1 4.07Å; I41-L54 HydrophobicContact CD1-CD2 3.56Å; I41-L54 HydrophobicContact CD1-CG 4.48Å; I52-L54 HydrophobicContact CG2-CD2 3.74Å; I52-L54 HydrophobicContact CG2-CG 4.09Å; L54-K62 WeakPolarHBondContact O-CA 3.36Å; L54-L63 HydrophobicContact CB-CB 3.95Å; L54-L63 HydrophobicContact CB-CD2 4.12Å; L54-L63 HydrophobicContact CD1-CD2 3.94Å; L54-L63 PolarHBondContact O-N 3.27Å; L54-T86 CarbonylContact C-O 3.56Å; L54-T86 WeakPolarHBondContact CA-O 3.44Å; L54-V87 HydrophobicContact CD2-CB 4.2Å; L54-V87 HydrophobicContact CD2-CG1 3.94Å; L54-V87 HydrophobicContact CD2-CG2 3.71Å
55Y88.7Confident83Confident61 Ų6168.5 Ų68.524%0.23938%0.379CS..EExtended strand (participates in β ladder)trans-132.2144.8176.7-58.2-102.1000110.5K61 K62 L85 T86 D88Y55-K61 CarbonylContact C-O 3.56Å; Y55-K61 WeakPolarHBondContact CA-O 3.18Å; Y55-K62 HydrophobicContact CD1-CB 3.95Å; Y55-K62 HydrophobicContact CD1-CG 4.45Å; Y55-K62 HydrophobicContact CE1-CB 3.77Å; Y55-K62 HydrophobicContact CE1-CD 4.42Å; Y55-K62 HydrophobicContact CE1-CG 4.07Å; Y55-L85 CarbonylContact O-C 3.45Å; Y55-L85 VanDerWaalsContact O-CA 3.29Å; Y55-L85 WeakPolarHBondContact O-CA 3.45Å; Y55-T86 PolarHBondContact N-O 3.42Å; Y55-T86 PolarHBondContact O-N 3.17Å; Y55-D88 HydrophobicContact CE2-CB 4.03Å
56Y88.7Confident83.1Confident48 Ų4868.5 Ų68.519%0.18838%0.383CS..EExtended strand (participates in β ladder)trans-138.2159.2-178.767.8-87.4000112.2K61 L63 P78Y56-K61 WeakPolarHBondContact CD1-O 3.29Å; Y56-K61 HydrophobicContact CE1-CB 4.14Å; Y56-K61 HydrophobicContact CE2-CB 4.31Å; Y56-K61 PolarHBondContact N-O 2.93Å; Y56-K61 PolarHBondContact O-N 3.17Å; Y56-L63 HydrophobicContact CD1-CB 4.1Å; Y56-L63 HydrophobicContact CD1-CD1 4.02Å; Y56-L63 HydrophobicContact CE1-CB 4.26Å; Y56-L63 HydrophobicContact CE1-CD1 3.83Å; Y56-P78 HydrophobicContact CD2-CG 4.14Å; Y56-P78 HydrophobicContact CE2-CB 4.36Å; Y56-P78 HydrophobicContact CE2-CG 3.3Å
57G76.8Confident83.2Confident54 Ų5472.4 Ų72.456%0.55739%0.385SS*.THydrogen-bonded Turntrans71.4-174.4175.900000115.1
58Y65.1Low83.4Confident220 Ų22075.9 Ų75.986%0.86341%0.41SS*.THydrogen-bonded Turntrans-136.1124.2173.7-171.9-95000110.2
59P68.8Low83.6Confident95 Ų9572.1 Ų72.162%0.61739%0.387SS*.THydrogen-bonded Turncis-60.7149.1-6.2-20.132.7000112.6K61P59-K61 PolarHBondContact O-N 2.84Å
60P76.2Confident83.8Confident80 Ų8071 Ų7152%0.51938%0.383SS..THydrogen-bonded Turntrans-58.8123.2-175.8-24.834.1000112.7
61K84.1Confident84.2Confident129 Ų12970.1 Ų70.156%0.56138%0.376SS*.EExtended strand (participates in β ladder)trans-106.5133.5175.5-65.8-179.1-177.1178.50109.8Y55 Y56 P59 L63Y55-K61 CarbonylContact C-O 3.56Å; Y55-K61 WeakPolarHBondContact CA-O 3.18Å; Y56-K61 WeakPolarHBondContact CD1-O 3.29Å; Y56-K61 HydrophobicContact CE1-CB 4.14Å; Y56-K61 HydrophobicContact CE2-CB 4.31Å; Y56-K61 PolarHBondContact N-O 2.93Å; Y56-K61 PolarHBondContact O-N 3.17Å; P59-K61 PolarHBondContact O-N 2.84Å; K61-L63 PolarHBondContact O-N 2.88Å
62K88Confident84.5Confident131 Ų13169.9 Ų69.957%0.5738%0.378SS*.EExtended strand (participates in β ladder)trans-67.1128.6175.9-170.3171.7-177.2169.30109.8S53 L54 Y55S53-K62 PolarHBondContact OG-NZ 2.58Å; L54-K62 WeakPolarHBondContact O-CA 3.36Å; Y55-K62 HydrophobicContact CD1-CB 3.95Å; Y55-K62 HydrophobicContact CD1-CG 4.45Å; Y55-K62 HydrophobicContact CE1-CB 3.77Å; Y55-K62 HydrophobicContact CE1-CD 4.42Å; Y55-K62 HydrophobicContact CE1-CG 4.07Å
63L89Confident84.7Confident7 Ų772.7 Ų72.74%0.03739%0.391CS..  trans-74.7136.4170.9-170.267000109.3L37 L54 Y56 K61 C65 I77 I79L37-L63 HydrophobicContact CD2-CD2 4.44Å; L54-L63 HydrophobicContact CB-CB 3.95Å; L54-L63 HydrophobicContact CB-CD2 4.12Å; L54-L63 HydrophobicContact CD1-CD2 3.94Å; L54-L63 PolarHBondContact O-N 3.27Å; Y56-L63 HydrophobicContact CD1-CB 4.1Å; Y56-L63 HydrophobicContact CD1-CD1 4.02Å; Y56-L63 HydrophobicContact CE1-CB 4.26Å; Y56-L63 HydrophobicContact CE1-CD1 3.83Å; K61-L63 PolarHBondContact O-N 2.88Å; L63-C65 PolarHBondContact O-N 3.07Å; L63-C65 VanDerWaalsContact O-N 3.16Å; L63-I77 HydrophobicContact CD1-CB 4.23Å; L63-I77 HydrophobicContact CD1-CD1 3.84Å; L63-I77 HydrophobicContact CD1-CG2 4.13Å; L63-I77 HydrophobicContact CD2-CD1 4.14Å; L63-I79 HydrophobicContact CD2-CD1 4.42Å
64D88.4Confident84.8Confident81 Ų8171.8 Ų71.843%0.43338%0.384SS..  trans-77.4100.7176.1177.120.8000110.6S66 S69D64-S66 WeakPolarHBondContact OD1-CB 3.25Å; D64-S66 PolarHBondContact OD1-N 2.89Å; D64-S66 PolarHBondContact OD1-OG 2.86Å; D64-S66 PolarHBondContact OD2-OG 2.96Å; D64-S69 VanDerWaalsContact O-CB 3.24Å; D64-S69 WeakPolarHBondContact O-CB 3.4Å; D64-S69 WeakPolarHBondContact OD2-CB 3.48Å; D64-S69 PolarHBondContact OD2-OG 3.22Å
65C86.4Confident84.7Confident39 Ų3979.3 Ų79.326%0.26441%0.413SS..  trans-100.925.6176.1-60.30000112.4L38 L63L38-C65 HydrophobicContact CD1-CB 4.03Å; L63-C65 PolarHBondContact O-N 3.07Å; L63-C65 VanDerWaalsContact O-N 3.16Å
66S84.5Confident84.6Confident44 Ų4480.9 Ų80.931%0.30842%0.422SS..SBendtrans-66156.617361.20000111.7D64 S68 S69 L70D64-S66 WeakPolarHBondContact OD1-CB 3.25Å; D64-S66 PolarHBondContact OD1-N 2.89Å; D64-S66 PolarHBondContact OD1-OG 2.86Å; D64-S66 PolarHBondContact OD2-OG 2.96Å; S66-S68 PolarHBondContact O-N 3.3Å; S66-S68 VanDerWaalsContact O-N 3.09Å; S66-S68 PolarHBondContact OG-OG 3.07Å; S66-S68 VanDerWaalsContact OG-OG 3.06Å; S66-S69 WeakPolarHBondContact O-CA 3.32Å; S66-S69 PolarHBondContact O-N 3Å; S66-L70 PolarHBondContact O-N 2.84Å
67I83.1Confident84.5Confident155 Ų15579.6 Ų79.680%0.79542%0.419SS*.THydrogen-bonded Turntrans-50.7-38.2178.9-64169.2000111.8S69I67-S69 PolarHBondContact O-N 2.98Å
68S83.8Confident84.9Confident93 Ų9381 Ų8165%0.6542%0.418SS*.THydrogen-bonded Turntrans-68.5-18177.644.40000114.9S66S66-S68 PolarHBondContact O-N 3.3Å; S66-S68 VanDerWaalsContact O-N 3.09Å; S66-S68 PolarHBondContact OG-OG 3.07Å; S66-S68 VanDerWaalsContact OG-OG 3.06Å
69S88Confident85.7Confident2 Ų271.1 Ų71.11%0.01438%0.38CS..THydrogen-bonded Turntrans-105.5-10.5-177.9-75.10000113.1I34 D64 S66 I67 S71 K72I34-S69 WeakPolarHBondContact CD1-O 3.3Å; D64-S69 VanDerWaalsContact O-CB 3.24Å; D64-S69 WeakPolarHBondContact O-CB 3.4Å; D64-S69 WeakPolarHBondContact OD2-CB 3.48Å; D64-S69 PolarHBondContact OD2-OG 3.22Å; S66-S69 WeakPolarHBondContact O-CA 3.32Å; S66-S69 PolarHBondContact O-N 3Å; I67-S69 PolarHBondContact O-N 2.98Å; S69-S71 VanDerWaalsContact C-N 3.28Å; S69-S71 PolarHBondContact O-N 2.87Å; S69-K72 VanDerWaalsContact O-CA 3.29Å; S69-K72 WeakPolarHBondContact O-CA 3.42Å; S69-K72 PolarHBondContact O-N 2.48Å; S69-K72 PolarHBondContact OG-NZ 3.43Å
70L89.6Confident86.4Confident36 Ų3675.5 Ų75.519%0.18838%0.384CS..THydrogen-bonded Turntrans-60.2-33-178.1-71.6-176.5000114.1I34 D35 L38 S66 K72I34-L70 HydrophobicContact CG2-CD2 4.18Å; I34-L70 PolarHBondContact N-O 3.12Å; D35-L70 HydrophobicContact CB-CB 4.21Å; D35-L70 HydrophobicContact CB-CD2 4.5Å; D35-L70 PolarHBondContact N-O 2.93Å; D35-L70 VanDerWaalsContact N-O 3.12Å; L38-L70 HydrophobicContact CD1-CD2 3.57Å; S66-L70 PolarHBondContact O-N 2.84Å; L70-K72 PolarHBondContact O-N 2.96Å
71S89.9Confident86.9Confident89 Ų8974.9 Ų74.962%0.62238%0.382SS*.THydrogen-bonded Turntrans-79.1-2.417464.50000113.8S69 H73S69-S71 VanDerWaalsContact C-N 3.28Å; S69-S71 PolarHBondContact O-N 2.87Å; S71-H73 PolarHBondContact O-N 2.78Å
72K90.3Very high86.8Confident76 Ų7670.4 Ų70.433%0.3337%0.372SS..  trans-45.9119.2166.85779.4163.51710111.2T33 I34 S69 L70 E76T33-K72 CarbonylContact C-O 3.5Å; T33-K72 VanDerWaalsContact CA-O 3.24Å; T33-K72 WeakPolarHBondContact CA-O 3.11Å; I34-K72 PolarHBondContact N-O 2.81Å; S69-K72 VanDerWaalsContact O-CA 3.29Å; S69-K72 WeakPolarHBondContact O-CA 3.42Å; S69-K72 PolarHBondContact O-N 2.48Å; S69-K72 PolarHBondContact OG-NZ 3.43Å; L70-K72 PolarHBondContact O-N 2.96Å; K72-E76 HydrophobicContact CB-CB 4.35Å; K72-E76 WeakPolarHBondContact CB-OE2 3.47Å
73H91.7Very high86.8Confident68 Ų6867 Ų6732%0.31536%0.36SS..BIsolated β-bridgetrans-72.1152.3166.3-71.2-74000111.3D31 S32 S71 W75 E76D31-H73 PolarHBondContact O-CE1 2.73Å; D31-H73 VanDerWaalsContact O-CE1 3.26Å; D31-H73 PolarHBondContact O-ND1 2.96Å; S32-H73 CarbonylContact O-C 3.48Å; S32-H73 WeakPolarHBondContact O-CA 3.46Å; S71-H73 PolarHBondContact O-N 2.78Å; H73-W75 HydrophobicContact CB-CG 4.17Å; H73-W75 AromaticContact CD2-NE1 3.86Å; H73-W75 AromaticContact CG-NE1 3.61Å; H73-W75 PolarHBondContact O-N 2.71Å; H73-E76 HydrophobicContact CB-CG 4.26Å; H73-E76 IonicContact CD2-OE2 2.74Å; H73-E76 IonicContact CG-OE2 3.61Å; H73-E76 PolarHBondContact N-OE2 3.14Å; H73-E76 WeakPolarHBondContact O-CB 3.45Å; H73-E76 PolarHBondContact O-N 2.75Å
74L89.9Confident86.6Confident0 Ų068.6 Ų68.60%037%0.367CS..G310 helixtrans-64.3-26-179.4-65.3-174.3000112.7L12 L14 L28 S32 I34 L37 E76 I77L12-L74 HydrophobicContact CD1-CB 3.79Å; L12-L74 HydrophobicContact CD1-CD1 3.76Å; L12-L74 HydrophobicContact CD1-CG 4.44Å; L14-L74 HydrophobicContact CD1-CD1 4.41Å; L28-L74 HydrophobicContact CB-CD1 4.15Å; L28-L74 HydrophobicContact CD1-CD1 4.23Å; S32-L74 WeakPolarHBondContact O-CG 3.33Å; S32-L74 PolarHBondContact O-N 3.49Å; I34-L74 HydrophobicContact CG1-CD2 4.48Å; L37-L74 HydrophobicContact CB-CD2 4.15Å; L37-L74 HydrophobicContact CD2-CD2 3.95Å; L74-E76 VanDerWaalsContact C-N 3.27Å; L74-E76 PolarHBondContact O-N 2.91Å; L74-I77 HydrophobicContact CD2-CD1 3.78Å; L74-I77 WeakPolarHBondContact O-CG1 3.3Å; L74-I77 PolarHBondContact O-N 3.38Å
75W87.2Confident86.7Confident157 Ų15764.7 Ų64.760%0.59535%0.347SS*.G310 helixtrans-70.6-20.2172.870.2-101.4000113.7S30 H73 I77S30-W75 VanDerWaalsContact O-CD1 3.26Å; S30-W75 PolarHBondContact O-N 3.41Å; S30-W75 VanDerWaalsContact O-N 3.16Å; H73-W75 HydrophobicContact CB-CG 4.17Å; H73-W75 AromaticContact CD2-NE1 3.86Å; H73-W75 AromaticContact CG-NE1 3.61Å; H73-W75 PolarHBondContact O-N 2.71Å; W75-I77 VanDerWaalsContact C-N 3.28Å
76E87.7Confident86.7Confident95 Ų9565.1 Ų65.144%0.44435%0.348SS..G310 helixtrans-81.5-10178.5-64.2-179.280.200112.8K72 H73 L74K72-E76 HydrophobicContact CB-CB 4.35Å; K72-E76 WeakPolarHBondContact CB-OE2 3.47Å; H73-E76 HydrophobicContact CB-CG 4.26Å; H73-E76 IonicContact CD2-OE2 2.74Å; H73-E76 IonicContact CG-OE2 3.61Å; H73-E76 PolarHBondContact N-OE2 3.14Å; H73-E76 WeakPolarHBondContact O-CB 3.45Å; H73-E76 PolarHBondContact O-N 2.75Å; L74-E76 VanDerWaalsContact C-N 3.27Å; L74-E76 PolarHBondContact O-N 2.91Å
77I86.8Confident86.9Confident21 Ų2163.2 Ų63.211%0.10834%0.335CS..THydrogen-bonded Turntrans-111.7151.9175.857.2-179.2000109.7I34 L63 L74 W75 I79I34-I77 HydrophobicContact CD1-CD1 4.1Å; I34-I77 HydrophobicContact CD1-CG2 4.07Å; I34-I77 HydrophobicContact CG1-CD1 3.98Å; L63-I77 HydrophobicContact CD1-CB 4.23Å; L63-I77 HydrophobicContact CD1-CD1 3.84Å; L63-I77 HydrophobicContact CD1-CG2 4.13Å; L63-I77 HydrophobicContact CD2-CD1 4.14Å; L74-I77 HydrophobicContact CD2-CD1 3.78Å; L74-I77 WeakPolarHBondContact O-CG1 3.3Å; L74-I77 PolarHBondContact O-N 3.38Å; W75-I77 VanDerWaalsContact C-N 3.28Å; I77-I79 HydrophobicContact CD1-CD1 3.39Å; I77-I79 HydrophobicContact CD1-CG1 4.13Å; I77-I79 HydrophobicContact CG1-CB 4.4Å; I77-I79 HydrophobicContact CG1-CD1 3.92Å; I77-I79 HydrophobicContact CG1-CG1 4.09Å; I77-I79 PolarHBondContact O-N 3.27Å
78P83.7Confident87Confident84 Ų8458.2 Ų58.255%0.54531%0.309SS..THydrogen-bonded Turntrans-78.158.4-17534.7-40000111.8Y56Y56-P78 HydrophobicContact CD2-CG 4.14Å; Y56-P78 HydrophobicContact CE2-CB 4.36Å; Y56-P78 HydrophobicContact CE2-CG 3.3Å
79I83.5Confident87.1Confident11 Ų1155.4 Ų55.46%0.05629%0.288CS..  trans-118.3137.3175.7-60.6176.7000108.1L14 L63 I77 D83 L85L14-I79 HydrophobicContact CD1-CG2 4.12Å; L14-I79 HydrophobicContact CD2-CG2 3.36Å; L14-I79 HydrophobicContact CG-CG2 4.4Å; L63-I79 HydrophobicContact CD2-CD1 4.42Å; I77-I79 HydrophobicContact CD1-CD1 3.39Å; I77-I79 HydrophobicContact CD1-CG1 4.13Å; I77-I79 HydrophobicContact CG1-CB 4.4Å; I77-I79 HydrophobicContact CG1-CD1 3.92Å; I77-I79 HydrophobicContact CG1-CG1 4.09Å; I77-I79 PolarHBondContact O-N 3.27Å; I79-D83 WeakPolarHBondContact CA-OD2 3.3Å; I79-D83 HydrophobicContact CG2-CB 4.38Å; I79-L85 HydrophobicContact CD1-CD1 4.34Å; I79-L85 HydrophobicContact CD1-CD2 3.76Å; I79-L85 HydrophobicContact CG1-CD2 4.28Å
80R83.5Confident86.5Confident188 Ų18858.9 Ų58.971%0.70931%0.309SS*.  trans-128.9161.1177.9-60.6-178.3-179.9-167-0.8111L14 G82 D83L14-R80 WeakPolarHBondContact CD2-O 3.47Å; R80-G82 PolarHBondContact O-N 3.49Å; R80-D83 PolarHBondContact N-OD2 2.88Å; R80-D83 VanDerWaalsContact O-CB 3.24Å; R80-D83 WeakPolarHBondContact O-CB 3.21Å; R80-D83 PolarHBondContact O-N 3.34Å
81S85.7Confident84.9Confident67 Ų6764.8 Ų64.847%0.46934%0.336SS..THydrogen-bonded Turntrans-58.1128.1171.4-1580000109.8L12 K13L12-S81 VanDerWaalsContact CD2-N 3.29Å; K13-S81 PolarHBondContact N-OG 2.96Å
82G82.6Confident82.8Confident34 Ų3468.7 Ų68.735%0.35134%0.344SS..THydrogen-bonded Turntrans98.1-12.4-174.100000114.9K13 R15 R80K13-G82 PolarHBondContact O-N 3.44Å; R15-G82 PolarHBondContact NE-O 2.64Å; R15-G82 VanDerWaalsContact NE-O 3.07Å; R15-G82 PolarHBondContact NH2-O 2.85Å; R80-G82 PolarHBondContact O-N 3.49Å
83D86.8Confident80Confident60 Ų6074.3 Ų74.332%0.32137%0.369SS..PPolyproline II helixtrans-67.7155.6-178-76.3-9.3000112.9R15 I79 R80R15-D83 PolarHBondContact N-O 3.4Å; I79-D83 WeakPolarHBondContact CA-OD2 3.3Å; I79-D83 HydrophobicContact CG2-CB 4.38Å; R80-D83 PolarHBondContact N-OD2 2.88Å; R80-D83 VanDerWaalsContact O-CB 3.24Å; R80-D83 WeakPolarHBondContact O-CB 3.21Å; R80-D83 PolarHBondContact O-N 3.34Å
84M86.5Confident77.2Confident40 Ų4077.3 Ų77.320%0.19740%0.395CS..EExtended strand (participates in β ladder)trans-101.5120.2174.7-169.365.163.400110.5R15 R17 Q22R15-M84 HydrophobicContact CB-CE 3.58Å; R15-M84 HydrophobicContact CB-SD 3.63Å; R15-M84 HydrophobicContact CG-CE 4.4Å; R15-M84 CarbonylContact O-C 3.59Å; R15-M84 VanDerWaalsContact O-CA 3.25Å; R15-M84 WeakPolarHBondContact O-CA 3.29Å; R17-M84 HydrophobicContact CB-CG 4.33Å; R17-M84 HydrophobicContact CB-SD 3.83Å; Q22-M84 HydrophobicContact CG-CE 4.1Å; Q22-M84 HydrophobicContact CG-SD 3.96Å
85L90Very high74.7Confident0 Ų081.7 Ų81.70%043%0.431CS..EExtended strand (participates in β ladder)trans-98.1130.1166.7-63.5179000109.4L14 R15 C16 R17 L37 Y55 I79L14-L85 HydrophobicContact CD1-CD1 4.14Å; R15-L85 PolarHBondContact O-N 3.39Å; C16-L85 CarbonylContact C-O 3.54Å; C16-L85 VanDerWaalsContact CA-O 3.26Å; C16-L85 WeakPolarHBondContact CA-O 3.44Å; R17-L85 PolarHBondContact N-O 2.95Å; L37-L85 HydrophobicContact CD1-CD1 4.2Å; L37-L85 HydrophobicContact CD2-CD1 4.01Å; Y55-L85 CarbonylContact O-C 3.45Å; Y55-L85 VanDerWaalsContact O-CA 3.29Å; Y55-L85 WeakPolarHBondContact O-CA 3.45Å; I79-L85 HydrophobicContact CD1-CD1 4.34Å; I79-L85 HydrophobicContact CD1-CD2 3.76Å; I79-L85 HydrophobicContact CG1-CD2 4.28Å
86T86.5Confident71.9Confident48 Ų4882.1 Ų82.129%0.29445%0.445SS..EExtended strand (participates in β ladder)trans-93.9127.6168.4-550000108.8R17 L54 Y55R17-T86 CarbonylContact O-C 3.59Å; R17-T86 WeakPolarHBondContact O-CA 3.48Å; L54-T86 CarbonylContact C-O 3.56Å; L54-T86 WeakPolarHBondContact CA-O 3.44Å; Y55-T86 PolarHBondContact N-O 3.42Å; Y55-T86 PolarHBondContact O-N 3.17Å
87V88.2Confident69.5Low4 Ų484.1 Ų84.12%0.02446%0.463CS..EExtended strand (participates in β ladder)trans-108116.2-179.7-170.10000108.1C16 R17 F18 I41 I52 L54C16-V87 HydrophobicContact CB-CG2 4.07Å; R17-V87 PolarHBondContact O-N 3.02Å; F18-V87 HydrophobicContact CD1-CB 3.51Å; F18-V87 HydrophobicContact CD1-CG1 3.74Å; F18-V87 HydrophobicContact CD1-CG2 3.98Å; F18-V87 HydrophobicContact CD2-CG2 4.49Å; F18-V87 HydrophobicContact CE1-CB 3.55Å; F18-V87 HydrophobicContact CE1-CG1 3.55Å; F18-V87 HydrophobicContact CE1-CG2 3.59Å; F18-V87 HydrophobicContact CE2-CG2 4.16Å; F18-V87 HydrophobicContact CG-CB 4.12Å; F18-V87 HydrophobicContact CG-CG2 4.43Å; F18-V87 HydrophobicContact CZ-CB 4.18Å; F18-V87 HydrophobicContact CZ-CG1 4.46Å; F18-V87 HydrophobicContact CZ-CG2 3.7Å; I41-V87 HydrophobicContact CD1-CG2 4.24Å; I41-V87 HydrophobicContact CG2-CG1 3.99Å; I52-V87 HydrophobicContact CG2-CG1 3.84Å; L54-V87 HydrophobicContact CD2-CB 4.2Å; L54-V87 HydrophobicContact CD2-CG1 3.94Å; L54-V87 HydrophobicContact CD2-CG2 3.71Å
88D86.2Confident66.9Low49 Ų4990.4 Ų90.426%0.26250%0.497SS..EExtended strand (participates in β ladder)trans-109.7140.5173.1-160.317.6000109.8R19 S53 Y55R19-D88 IonicContact CZ-OD1 2.75Å; R19-D88 IonicContact NE-OD1 2.89Å; R19-D88 PolarHBondContact NE-OD1 3.41Å; R19-D88 VanDerWaalsContact NE-OD1 3.11Å; R19-D88 IonicContact NH2-OD1 3.06Å; R19-D88 PolarHBondContact NH2-OD1 2.94Å; R19-D88 IonicContact NH2-OD2 3.42Å; S53-D88 PolarHBondContact N-O 3.37Å; S53-D88 PolarHBondContact O-N 3.16Å; Y55-D88 HydrophobicContact CE2-CB 4.03Å
89V84.4Confident64.3Low35 Ų3591.6 Ų91.621%0.21251%0.507CS..EExtended strand (participates in β ladder)trans-116.2122.5-178.21770000108.6I45 V47 R51I45-V89 HydrophobicContact CD1-CG2 3.72Å; V47-V89 HydrophobicContact CG1-CG1 3.81Å; V47-V89 HydrophobicContact CG2-CG1 4.29Å; R51-V89 HydrophobicContact CB-CG1 4.34Å; R51-V89 VanDerWaalsContact O-CA 3.29Å; R51-V89 WeakPolarHBondContact O-CA 3.48Å
90T75.1Confident62Low74 Ų74100.3 Ų100.345%0.45455%0.548SS..PPolyproline II helixtrans-75.7128.6174.744.80000110.9R51R51-T90 PolarHBondContact NE-O 2.81Å; R51-T90 VanDerWaalsContact NE-O 3.14Å; R51-T90 PolarHBondContact NH2-O 2.93Å; R51-T90 PolarHBondContact O-N 3.14Å; R51-T90 PolarHBondContact O-OG1 3.26Å
91E56.1Low59.4Low161 Ų16198.9 Ų98.975%0.75255%0.554SS**PPolyproline II helixtrans-84.3126169.8-67.7177-167.900109.3
92E46.8Very low57Low170 Ų170102.1 Ų102.179%0.79457%0.571SS**PPolyproline II helixtrans-83.5127.7169.5-75.6-170.8167.100110.1
93K30.7Very low54.4Low194 Ų194110 Ų11084%0.84360%0.596SS**PPolyproline II helixtrans-67.4134.9160.4-80.9178.5174.9176.80108.4A95K93-A95 PolarHBondContact O-N 3.47Å
94P33.8Very low51.8Low132 Ų132115 Ų11586%0.85762%0.621SS**  trans-66.7107.3174.826.1-29.6000109N96P94-N96 PolarHBondContact O-N 2.96Å
95A35.9Very low49.4Very low91 Ų91121.3 Ų121.375%0.75265%0.65SS**  trans-80.9112.8173.100000109.6K93 V97K93-A95 PolarHBondContact O-N 3.47Å; A95-V97 PolarHBondContact O-N 2.94Å
96N29.2Very low46.4Very low167 Ų167126.1 Ų126.189%0.89368%0.684SS**  trans-51.1114.1162.6-91.7-22.9000110.9P94P94-N96 PolarHBondContact O-N 2.96Å
97V37.4Very low43.9Very low137 Ų137132.2 Ų132.283%0.8371%0.709SS**  trans-142.5128.9155.4-171.80000111A95A95-V97 PolarHBondContact O-N 2.94Å
98N31.9Very low41.2Very low153 Ų153142 Ų14282%0.81875%0.751SS**  trans-57.2151.2-177-73.9-40.5000115.9
99S30.3Very low38.6Very low109 Ų109147.2 Ų147.276%0.76277%0.773SS**  trans-11.8126.7151.9-53.10000116.8
100Q34.9Very low35.9Very low194 Ų194153.7 Ų153.791%0.90780%0.801SS**  -165140.3127.5-104.2164.828.800112.6
101N29.3Very low34Very low157 Ų157157.4 Ų157.484%0.8482%0.817SS**  trans-55131.1-171.7-69.5-45.8000115.2
102V35.4Very low32.8Very low136 Ų136156.2 Ų156.282%0.82481%0.814SS**  trans-137112.6145.6-175.80000108.7
103K26.4Very low32.2Very low200 Ų200152 Ų15287%0.8780%0.803SS**  trans-71.6125.7167.5-73.9177.5175.6178.10108.4
104L33.4Very low32.1Very low164 Ų164148.6 Ų148.686%0.85979%0.794SS**  trans-146.5151.7153.1-133.176.7000110.3
105Q35.8Very low32.3Very low172 Ų172151.7 Ų151.780%0.80479%0.794SS**  trans-81.4144.8-149.7-72.3147.7-10.700114.7
106S27.4Very low32.4Very low101 Ų101154.6 Ų154.671%0.70679%0.792SS**  trans5.9113.9146.857.20000118.7
107H32.9Very low33.7Very low176 Ų176148.4 Ų148.482%0.81576%0.762SS**  -136.2105129.9-87-76.3000108.4H109H107-H109 VanDerWaalsContact C-N 3.31Å; H107-H109 PolarHBondContact O-N 3.01Å
108K31Very low35.5Very low209 Ų209150.2 Ų150.291%0.90976%0.761SS**  trans-70.293.5162.7-77.3-177.2174.4-175.60106.9
109H33.7Very low38.2Very low160 Ų160145.6 Ų145.674%0.74174%0.741SS**  trans-90.6103.8153.8-99.7-75.1000106.9H107 I111H107-H109 VanDerWaalsContact C-N 3.31Å; H107-H109 PolarHBondContact O-N 3.01Å; H109-I111 VanDerWaalsContact C-N 3.31Å; H109-I111 PolarHBondContact O-N 3.36Å
110E27.6Very low41.2Very low171 Ų171144.8 Ų144.880%0.79973%0.725SS**  trans-57.798.9157.9-78.3174.9149.700107.5I112E110-I112 VanDerWaalsContact C-N 3.25Å; E110-I112 PolarHBondContact O-N 3.19Å; E110-I112 VanDerWaalsContact O-N 3.13Å
111I33.2Very low44.1Very low151 Ų151136.1 Ų136.177%0.77469%0.685SS**  trans-78.491.1160.2-58.2175.7000105H109 S113H109-I111 VanDerWaalsContact C-N 3.31Å; H109-I111 PolarHBondContact O-N 3.36Å; I111-S113 PolarHBondContact O-N 3.42Å
112I32.3Very low47.2Very low137 Ų137129.6 Ų129.670%0.70365%0.651SS**  trans-61.692.4159-60.1171.7000105.4E110 N114E110-I112 VanDerWaalsContact C-N 3.25Å; E110-I112 PolarHBondContact O-N 3.19Å; E110-I112 VanDerWaalsContact O-N 3.13Å; I112-N114 PolarHBondContact O-N 2.93Å
113S32.8Very low50.2Low80 Ų80126.5 Ų126.556%0.55962%0.624SS**  trans-68.298.9167.6168.50000106.9I111 K115I111-S113 PolarHBondContact O-N 3.42Å; S113-K115 PolarHBondContact O-N 3.35Å
114N30.1Very low53.5Low123 Ų123118 Ų11866%0.65859%0.588SS**  trans-62.781.5156.6-86.7-9000107.7I112 Q116I112-N114 PolarHBondContact O-N 2.93Å; N114-Q116 PolarHBondContact O-N 3.17Å
115K36.6Very low56.5Low198 Ų198114.7 Ų114.786%0.86158%0.578SS**  trans-7164.3159.2-96-178176.2-174.60108.1S113S113-K115 PolarHBondContact O-N 3.35Å
116Q39.6Very low59.3Low152 Ų152106.9 Ų106.971%0.7154%0.542SS*.  trans-10599.7172.3-87.6-178.3-25.600108.8N114 E118N114-Q116 PolarHBondContact O-N 3.17Å; Q116-E118 PolarHBondContact O-N 3.03Å
117S55.1Low62.3Low36 Ų36104.1 Ų104.125%0.25252%0.522SS..  trans53.554.3146.7-173.20000118.7P258 N259S117-P258 VanDerWaalsContact OG-CB 3.26Å; S117-P258 WeakPolarHBondContact OG-CB 3.46Å; S117-N259 WeakPolarHBondContact CB-OD1 3.14Å; S117-N259 VanDerWaalsContact OG-CG 3.26Å; S117-N259 PolarHBondContact OG-N 3.46Å; S117-N259 VanDerWaalsContact OG-N 3.17Å; S117-N259 PolarHBondContact OG-OD1 3.46Å
118E76.9Confident64.9Low175 Ų175101 Ų10182%0.81852%0.52SS*.  trans-81.1128.2160-73.8-176.1175.700110.4Q116 H120Q116-E118 PolarHBondContact O-N 3.03Å; E118-H120 PolarHBondContact O-ND1 3.45Å
119S88.6Confident67.6Low56 Ų5693.6 Ų93.639%0.39249%0.491SS..  trans-70.1131.7175.652.70000110.4Q255 E256S119-Q255 PolarHBondContact OG-NE2 3.05Å; S119-Q255 VanDerWaalsContact OG-NE2 3.14Å; S119-E256 WeakPolarHBondContact CA-O 3.5Å; S119-E256 WeakPolarHBondContact CB-O 3.43Å
120H91.6Very high70.2Confident92 Ų9289.1 Ų89.143%0.42647%0.472SS..EExtended strand (participates in β ladder)trans-142.5154.2-179.460.8-78.6000110.6E118 V122 Q255 E256E118-H120 PolarHBondContact O-ND1 3.45Å; H120-V122 WeakPolarHBondContact NE2-CG1 3.37Å; H120-Q255 WeakPolarHBondContact O-CA 3.42Å; H120-E256 IonicContact CE1-OE2 3.43Å; H120-E256 PolarHBondContact O-N 3.15Å
121I95.8Very high73.4Confident12 Ų1281.3 Ų81.36%0.06244%0.437CS..EExtended strand (participates in β ladder)trans-72.7139.5175.3-134178.3000111.7L242 L253 A254 I274 E277 A278 L281I121-L242 HydrophobicContact CD1-CD2 3.97Å; I121-L253 HydrophobicContact CD1-CB 3.95Å; I121-L253 HydrophobicContact CD1-CD1 4.12Å; I121-L253 HydrophobicContact CG1-CB 4.22Å; I121-A254 CarbonylContact C-O 3.53Å; I121-A254 VanDerWaalsContact CA-O 3.32Å; I121-A254 WeakPolarHBondContact CA-O 3.47Å; I121-A254 WeakPolarHBondContact CG1-O 3.43Å; I121-I274 HydrophobicContact CB-CD1 4.37Å; I121-I274 HydrophobicContact CD1-CD1 3.65Å; I121-I274 HydrophobicContact CD1-CG1 3.76Å; I121-I274 HydrophobicContact CG1-CD1 3.93Å; I121-E277 HydrophobicContact CB-CB 4.27Å; I121-E277 HydrophobicContact CG2-CB 4.12Å; I121-E277 PolarHBondContact N-OE2 2.73Å; I121-A278 HydrophobicContact CD1-CB 3.9Å; I121-L281 HydrophobicContact CG2-CB 4.25Å; I121-L281 HydrophobicContact CG2-CD2 3.97Å
122V96Very high76.4Confident21 Ų2174.7 Ų74.713%0.12740%0.404CS..EExtended strand (participates in β ladder)trans-130.7147.6178-60.50000110.6H120 L124 L253 A254 E256H120-V122 WeakPolarHBondContact NE2-CG1 3.37Å; V122-L124 HydrophobicContact CG2-CD2 3.77Å; V122-L124 HydrophobicContact CG2-CG 4.26Å; V122-L253 WeakPolarHBondContact O-CA 3.33Å; V122-A254 WeakPolarHBondContact CG2-O 3.46Å; V122-A254 PolarHBondContact N-O 2.75Å; V122-A254 PolarHBondContact O-N 3.5Å; V122-A254 VanDerWaalsContact O-N 3.08Å; V122-E256 HydrophobicContact CB-CG 4.45Å; V122-E256 HydrophobicContact CG1-CG 3.86Å; V122-E256 HydrophobicContact CG2-CG 3.7Å
123R97.3Very high79.6Confident71 Ų7168.3 Ų68.327%0.26837%0.371SS..EExtended strand (participates in β ladder)trans-83.6126.6167.7173.2179.2-179.3172.25.1108.8I244 D246 D251 L253 L281R123-I244 HydrophobicContact CB-CG2 4.36Å; R123-I244 HydrophobicContact CG-CG2 3.78Å; R123-D246 IonicContact NH2-OD2 3.12Å; R123-D246 PolarHBondContact NH2-OD2 2.79Å; R123-D246 VanDerWaalsContact NH2-OD2 3.13Å; R123-D251 HydrophobicContact CG-CB 3.9Å; R123-D251 IonicContact CZ-OD2 3.6Å; R123-D251 IonicContact NE-OD2 3.16Å; R123-D251 PolarHBondContact NE-OD2 3.27Å; R123-D251 IonicContact NH2-OD2 3.13Å; R123-D251 PolarHBondContact NH2-OD2 3.49Å; R123-L253 HydrophobicContact CB-CD2 3.93Å; R123-L281 HydrophobicContact CB-CD2 4.09Å
124L96.6Very high82.7Confident20 Ų2064.5 Ų64.511%0.10534%0.344CS..  trans-108.5114.6175.7-55.2174.4000109V122 A126 F139 V154 D251 P252 A254 L263V122-L124 HydrophobicContact CG2-CD2 3.77Å; V122-L124 HydrophobicContact CG2-CG 4.26Å; L124-A126 PolarHBondContact O-N 2.58Å; L124-F139 HydrophobicContact CD1-CD1 4.38Å; L124-F139 HydrophobicContact CD1-CE1 3.4Å; L124-F139 HydrophobicContact CD1-CZ 3.66Å; L124-V154 HydrophobicContact CB-CG2 3.67Å; L124-D251 WeakPolarHBondContact O-CB 3.21Å; L124-P252 HydrophobicContact CB-CG 4.15Å; L124-P252 PolarHBondContact N-O 2.77Å; L124-P252 VanDerWaalsContact N-O 3.07Å; L124-P252 VanDerWaalsContact O-CD 3.25Å; L124-P252 WeakPolarHBondContact O-CD 3.48Å; L124-A254 HydrophobicContact CD1-CB 3.7Å; L124-A254 HydrophobicContact CG-CB 4.38Å; L124-L263 HydrophobicContact CD1-CD1 3.98Å
125C95Very high85.9Confident95 Ų9558.8 Ų58.864%0.64231%0.314SS*.PPolyproline II helixtrans-69120.8-174.2-54.30000112.4D251C125-D251 WeakPolarHBondContact CA-OD1 3.17Å
126A95.4Very high88.9Confident8 Ų849.4 Ų49.47%0.06627%0.273CS..PPolyproline II helixtrans-80.1158.616900000111L124 C132 T135 V154 H249 D251L124-A126 PolarHBondContact O-N 2.58Å; A126-C132 HydrophobicContact CB-CB 4.42Å; A126-T135 HydrophobicContact CB-CG2 4.46Å; A126-V154 HydrophobicContact CB-CG1 3.9Å; A126-H249 PolarHBondContact O-NE2 2.71Å; A126-D251 WeakPolarHBondContact CB-OD1 3.29Å; A126-D251 PolarHBondContact N-OD1 2.68Å
127P90.3Very high91.7Very high44 Ų4442.1 Ų42.129%0.28624%0.239SC..PPolyproline II helixtrans-64.5136.6172.2-22.935.3000112.5D129 H249P127-D129 VanDerWaalsContact C-N 3.27Å; P127-D129 HydrophobicContact CB-CB 4.45Å; P127-D129 PolarHBondContact O-N 3.43Å; P127-H249 PolarHBondContact O-CE1 2.89Å
128S88.7Confident93.8Very high110 Ų11041 Ų4177%0.76923%0.23SC*.SBendtrans-79.367.2175-45.90000112.1
129D86.1Confident94.8Very high54 Ų5433.6 Ų33.629%0.28920%0.195SC..SBendtrans-122.927.8-169.166.25.7000114.5P127 S131 T156P127-D129 VanDerWaalsContact C-N 3.27Å; P127-D129 HydrophobicContact CB-CB 4.45Å; P127-D129 PolarHBondContact O-N 3.43Å; D129-S131 PolarHBondContact O-N 3.35Å; D129-S131 WeakPolarHBondContact OD1-CA 3.45Å; D129-S131 WeakPolarHBondContact OD1-CB 3.43Å; D129-S131 PolarHBondContact OD1-N 2.93Å; D129-T156 WeakPolarHBondContact OD2-CB 3.15Å; D129-T156 WeakPolarHBondContact OD2-CG2 3.3Å; D129-T156 PolarHBondContact OD2-OG1 3.31Å
130N89.1Confident95.3Very high65 Ų6531 Ų3135%0.34818%0.177SC..SBendtrans61.31.7-174.4-53-45.3000114.7R165 S198 W201N130-R165 PolarHBondContact O-NH2 2.9Å; N130-R165 VanDerWaalsContact O-NH2 3.07Å; N130-S198 WeakPolarHBondContact CB-O 3.49Å; N130-W201 PolarHBondContact OD1-NE1 3.13Å
131S94.3Very high95.6Very high8 Ų827.6 Ų27.66%0.05616%0.162CC..  trans-115.65.5178.6-60.70000113.6D129 L133 F134 T135 R165D129-S131 PolarHBondContact O-N 3.35Å; D129-S131 WeakPolarHBondContact OD1-CA 3.45Å; D129-S131 WeakPolarHBondContact OD1-CB 3.43Å; D129-S131 PolarHBondContact OD1-N 2.93Å; S131-L133 VanDerWaalsContact C-N 3.29Å; S131-L133 PolarHBondContact O-N 2.97Å; S131-L133 VanDerWaalsContact O-N 3.13Å; S131-F134 PolarHBondContact O-N 2.87Å; S131-T135 PolarHBondContact O-N 2.95Å; S131-T135 PolarHBondContact O-OG1 3.32Å; S131-R165 PolarHBondContact OG-NH2 3.43Å; S131-R165 VanDerWaalsContact OG-NH2 3.14Å
132C96.5Very high95.6Very high12 Ų1231 Ų318%0.08118%0.18CC..Hα-helixtrans-47-43.8-177.862.40000114.1A126 F134 T135 S136 H249 Y250A126-C132 HydrophobicContact CB-CB 4.42Å; C132-F134 PolarHBondContact O-N 3.18Å; C132-T135 PolarHBondContact O-N 3.18Å; C132-S136 WeakPolarHBondContact O-CB 3.27Å; C132-S136 PolarHBondContact O-N 2.85Å; C132-S136 PolarHBondContact O-OG 3.17Å; C132-H249 WeakPolarHBondContact CB-CE1 3.27Å; C132-H249 WeakPolarHBondContact CB-ND1 3.41Å; C132-Y250 PolarHBondContact SG-N 2.87Å
133L98.3Very high95.7Very high3 Ų330 Ų302%0.01617%0.174CC..Hα-helixtrans-55.2-52.1174.917461.8000112.3S131 S136 V137 E206 V207 L243 Y250S131-L133 VanDerWaalsContact C-N 3.29Å; S131-L133 PolarHBondContact O-N 2.97Å; S131-L133 VanDerWaalsContact O-N 3.13Å; L133-S136 PolarHBondContact O-N 3.13Å; L133-V137 HydrophobicContact CD1-CG2 4.25Å; L133-V137 WeakPolarHBondContact O-CG2 3.48Å; L133-V137 PolarHBondContact O-N 3.07Å; L133-E206 HydrophobicContact CD2-CB 3.74Å; L133-V207 HydrophobicContact CD1-CG2 3.71Å; L133-V207 HydrophobicContact CD2-CG2 4.03Å; L133-L243 HydrophobicContact CD1-CD1 3.86Å; L133-Y250 HydrophobicContact CB-CD2 3.77Å; L133-Y250 HydrophobicContact CB-CE2 4.19Å; L133-Y250 HydrophobicContact CB-CG 4.26Å; L133-Y250 HydrophobicContact CD1-CD1 4.23Å; L133-Y250 HydrophobicContact CD1-CD2 4.26Å; L133-Y250 HydrophobicContact CD1-CE1 4.4Å; L133-Y250 HydrophobicContact CD1-CE2 4.41Å; L133-Y250 HydrophobicContact CD1-CG 4.16Å
134F98.4Very high95.7Very high0 Ų030.8 Ų30.80%018%0.18CC..Hα-helixtrans-67.3-43.6-177.2-49.9-76.6000110.7S131 C132 S136 V137 L138 V161 L164 R165 I168 I195 E206 L210S131-F134 PolarHBondContact O-N 2.87Å; C132-F134 PolarHBondContact O-N 3.18Å; F134-S136 VanDerWaalsContact C-N 3.3Å; F134-S136 PolarHBondContact O-N 2.93Å; F134-V137 PolarHBondContact O-N 2.7Å; F134-L138 VanDerWaalsContact O-CB 3.29Å; F134-L138 WeakPolarHBondContact O-CB 3.5Å; F134-L138 VanDerWaalsContact O-CG 3.24Å; F134-L138 WeakPolarHBondContact O-CG 3.48Å; F134-L138 PolarHBondContact O-N 3.19Å; F134-V161 HydrophobicContact CB-CB 4.49Å; F134-V161 HydrophobicContact CB-CG1 4.06Å; F134-V161 HydrophobicContact CB-CG2 4Å; F134-V161 HydrophobicContact CD2-CG1 4.36Å; F134-V161 HydrophobicContact CG-CG1 4.38Å; F134-L164 HydrophobicContact CB-CD2 4.17Å; F134-L164 HydrophobicContact CD1-CD2 4.08Å; F134-L164 HydrophobicContact CD1-CG 4.43Å; F134-R165 HydrophobicContact CD1-CG 4.46Å; F134-R165 HydrophobicContact CE1-CG 4.23Å; F134-R165 HydrophobicContact CE2-CG 4.41Å; F134-R165 HydrophobicContact CZ-CG 4.19Å; F134-I168 HydrophobicContact CD1-CD1 4.15Å; F134-I168 HydrophobicContact CE1-CD1 3.61Å; F134-I195 HydrophobicContact CZ-CD1 3.99Å; F134-E206 HydrophobicContact CE1-CB 4.26Å; F134-E206 HydrophobicContact CE1-CG 3.82Å; F134-E206 HydrophobicContact CZ-CG 3.89Å; F134-L210 HydrophobicContact CD1-CD1 4.49Å
135T98.4Very high95.7Very high3 Ų335.2 Ų35.22%0.01820%0.204CC..Hα-helixtrans-58.3-44.2175.2-62.60000111.1A126 S131 C132 L138 F139 V154 T156A126-T135 HydrophobicContact CB-CG2 4.46Å; S131-T135 PolarHBondContact O-N 2.95Å; S131-T135 PolarHBondContact O-OG1 3.32Å; C132-T135 PolarHBondContact O-N 3.18Å; T135-L138 PolarHBondContact O-N 3.37Å; T135-F139 VanDerWaalsContact O-CB 3.28Å; T135-F139 WeakPolarHBondContact O-CB 3.48Å; T135-F139 PolarHBondContact O-N 3.5Å; T135-V154 HydrophobicContact CG2-CG1 3.58Å; T135-T156 WeakPolarHBondContact OG1-CG2 3.49Å; T135-T156 PolarHBondContact OG1-OG1 3.15Å
136S98.7Very high95.7Very high0 Ų032.9 Ų32.90%019%0.185CC..Hα-helixtrans-67.5-43.1-178.8-62.30000112.3C132 L133 F134 C140 Y250 P252C132-S136 WeakPolarHBondContact O-CB 3.27Å; C132-S136 PolarHBondContact O-N 2.85Å; C132-S136 PolarHBondContact O-OG 3.17Å; L133-S136 PolarHBondContact O-N 3.13Å; F134-S136 VanDerWaalsContact C-N 3.3Å; F134-S136 PolarHBondContact O-N 2.93Å; S136-C140 PolarHBondContact O-N 2.7Å; S136-C140 PolarHBondContact O-SG 2.75Å; S136-Y250 PolarHBondContact OG-O 2.76Å; S136-P252 WeakPolarHBondContact OG-CD 3.29Å
137V98.7Very high95.8Very high0 Ų037.4 Ų37.40%021%0.205CC..Hα-helixtrans-64.2-48.3173.7173.80000110.9L133 F134 F139 C140 M141 L210 Y214 I218 I241 L243L133-V137 HydrophobicContact CD1-CG2 4.25Å; L133-V137 WeakPolarHBondContact O-CG2 3.48Å; L133-V137 PolarHBondContact O-N 3.07Å; F134-V137 PolarHBondContact O-N 2.7Å; V137-F139 VanDerWaalsContact C-N 3.34Å; V137-F139 PolarHBondContact O-N 3.13Å; V137-C140 PolarHBondContact O-N 3.16Å; V137-M141 HydrophobicContact CG1-CG 4.14Å; V137-M141 WeakPolarHBondContact O-CG 3.37Å; V137-M141 PolarHBondContact O-N 3.2Å; V137-L210 HydrophobicContact CB-CD1 4.4Å; V137-L210 HydrophobicContact CG1-CD1 4.34Å; V137-L210 HydrophobicContact CG2-CD1 4.05Å; V137-Y214 HydrophobicContact CG1-CD2 4.12Å; V137-Y214 HydrophobicContact CG1-CE2 3.78Å; V137-I218 HydrophobicContact CG2-CD1 4.44Å; V137-I241 HydrophobicContact CG1-CD1 4.26Å; V137-I241 HydrophobicContact CG2-CD1 4.28Å; V137-L243 HydrophobicContact CG2-CD1 3.82Å
138L98.5Very high96.1Very high13 Ų1336.7 Ų36.77%0.06820%0.198CC..Hα-helixtrans-60.5-42.5179-74.6168000111.8F134 T135 C140 M141 N142 E160 V161 L164F134-L138 VanDerWaalsContact O-CB 3.29Å; F134-L138 WeakPolarHBondContact O-CB 3.5Å; F134-L138 VanDerWaalsContact O-CG 3.24Å; F134-L138 WeakPolarHBondContact O-CG 3.48Å; F134-L138 PolarHBondContact O-N 3.19Å; T135-L138 PolarHBondContact O-N 3.37Å; L138-C140 VanDerWaalsContact C-N 3.31Å; L138-C140 PolarHBondContact O-N 2.97Å; L138-M141 PolarHBondContact O-N 3.44Å; L138-N142 WeakPolarHBondContact O-CB 3.35Å; L138-N142 PolarHBondContact O-N 3Å; L138-N142 PolarHBondContact O-ND2 3.27Å; L138-E160 HydrophobicContact CD1-CB 3.72Å; L138-E160 HydrophobicContact CD2-CB 4.33Å; L138-V161 HydrophobicContact CD1-CG2 3.8Å; L138-L164 HydrophobicContact CD1-CD2 4.24Å; L138-L164 HydrophobicContact CD2-CD2 4.19Å; L138-L164 HydrophobicContact CG-CD2 3.97Å
139F98.6Very high96.6Very high19 Ų1936.2 Ų36.28%0.08318%0.182CC..Hα-helixtrans-56.6-47.1175.4-177-87.1000111.3L124 T135 V137 N143 L148 T152 V154 P252 L263 T265L124-F139 HydrophobicContact CD1-CD1 4.38Å; L124-F139 HydrophobicContact CD1-CE1 3.4Å; L124-F139 HydrophobicContact CD1-CZ 3.66Å; T135-F139 VanDerWaalsContact O-CB 3.28Å; T135-F139 WeakPolarHBondContact O-CB 3.48Å; T135-F139 PolarHBondContact O-N 3.5Å; V137-F139 VanDerWaalsContact C-N 3.34Å; V137-F139 PolarHBondContact O-N 3.13Å; F139-N143 PolarHBondContact O-N 3.03Å; F139-L148 HydrophobicContact CD2-CD1 4.21Å; F139-L148 HydrophobicContact CE1-CD1 4.08Å; F139-L148 HydrophobicContact CE2-CD1 3.58Å; F139-L148 HydrophobicContact CZ-CD1 3.51Å; F139-T152 HydrophobicContact CE2-CG2 4.13Å; F139-T152 HydrophobicContact CZ-CG2 4.48Å; F139-V154 HydrophobicContact CB-CG1 4.33Å; F139-V154 HydrophobicContact CD1-CG2 4.46Å; F139-V154 HydrophobicContact CD2-CB 4.17Å; F139-V154 HydrophobicContact CD2-CG1 4.03Å; F139-V154 HydrophobicContact CD2-CG2 3.83Å; F139-V154 HydrophobicContact CE1-CG2 4.46Å; F139-V154 HydrophobicContact CE2-CB 4.38Å; F139-V154 HydrophobicContact CE2-CG2 3.8Å; F139-V154 HydrophobicContact CG-CG1 4.3Å; F139-V154 HydrophobicContact CG-CG2 4.16Å; F139-V154 HydrophobicContact CZ-CG2 4.13Å; F139-P252 HydrophobicContact CB-CG 4.26Å; F139-P252 HydrophobicContact CD1-CB 3.92Å; F139-P252 HydrophobicContact CD1-CG 3.72Å; F139-P252 HydrophobicContact CE1-CG 4.36Å; F139-P252 HydrophobicContact CG-CG 4.09Å; F139-L263 HydrophobicContact CZ-CD1 4.13Å; F139-T265 HydrophobicContact CD1-CG2 4.1Å; F139-T265 HydrophobicContact CE1-CG2 3.87Å
140C98.6Very high97Very high0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-63.5-46.9178.4-71.90000112.4S136 V137 L138 N143 I241 P252 T265 V266S136-C140 PolarHBondContact O-N 2.7Å; S136-C140 PolarHBondContact O-SG 2.75Å; V137-C140 PolarHBondContact O-N 3.16Å; L138-C140 VanDerWaalsContact C-N 3.31Å; L138-C140 PolarHBondContact O-N 2.97Å; C140-N143 PolarHBondContact O-N 3.32Å; C140-I241 HydrophobicContact CB-CB 4.04Å; C140-I241 HydrophobicContact CB-CD1 4.07Å; C140-I241 HydrophobicContact CB-CG2 3.67Å; C140-P252 WeakPolarHBondContact SG-CB 3.27Å; C140-T265 PolarHBondContact O-OG1 2.91Å; C140-V266 WeakPolarHBondContact O-CG2 3.12Å
141M97.9Very high97.3Very high22 Ų2236 Ų3611%0.10820%0.195CC..Hα-helixtrans-70-38.9-176.9-65.9-50.1-55.900112.7V137 L138 N143 E144 Y214 I216 I241V137-M141 HydrophobicContact CG1-CG 4.14Å; V137-M141 WeakPolarHBondContact O-CG 3.37Å; V137-M141 PolarHBondContact O-N 3.2Å; L138-M141 PolarHBondContact O-N 3.44Å; M141-N143 PolarHBondContact O-N 3.27Å; M141-E144 WeakPolarHBondContact O-CB 3.46Å; M141-E144 PolarHBondContact O-N 3.06Å; M141-Y214 HydrophobicContact CB-CE1 4.41Å; M141-Y214 HydrophobicContact CE-CD1 3.8Å; M141-Y214 HydrophobicContact CE-CG 3.98Å; M141-Y214 HydrophobicContact CG-CD1 4.11Å; M141-Y214 HydrophobicContact CG-CD2 4.07Å; M141-Y214 HydrophobicContact CG-CE1 4.15Å; M141-Y214 HydrophobicContact CG-CE2 4.09Å; M141-Y214 HydrophobicContact CG-CG 4.08Å; M141-Y214 HydrophobicContact SD-CD1 4.47Å; M141-Y214 HydrophobicContact SD-CG 4.21Å; M141-I216 HydrophobicContact CE-CD1 4.17Å; M141-I216 HydrophobicContact SD-CD1 3.66Å; M141-I216 HydrophobicContact SD-CG2 4.24Å; M141-I241 HydrophobicContact SD-CG2 4.3Å
142N97.1Very high97.4Very high83 Ų8337.6 Ų37.644%0.44421%0.205SC..Hα-helixtrans-64.9-24.7177.9-72.1-13.9000111.5L138 H147 E160L138-N142 WeakPolarHBondContact O-CB 3.35Å; L138-N142 PolarHBondContact O-N 3Å; L138-N142 PolarHBondContact O-ND2 3.27Å; N142-H147 PolarHBondContact O-CE1 3.5Å; N142-E160 PolarHBondContact ND2-OE2 2.92Å
143N97.8Very high97.4Very high0 Ų045.5 Ų45.50%024%0.238CC..THydrogen-bonded Turntrans-99.324.2178.5-173.153.9000113.9F139 C140 M141 D145 N146 H147 L148 L263 T265F139-N143 PolarHBondContact O-N 3.03Å; C140-N143 PolarHBondContact O-N 3.32Å; M141-N143 PolarHBondContact O-N 3.27Å; N143-D145 PolarHBondContact O-N 3.31Å; N143-N146 PolarHBondContact O-N 3.14Å; N143-N146 WeakPolarHBondContact OD1-CA 3.27Å; N143-H147 PolarHBondContact OD1-N 3.19Å; N143-H147 VanDerWaalsContact OD1-N 3.16Å; N143-L148 HydrophobicContact CB-CB 4.42Å; N143-L148 HydrophobicContact CB-CD1 3.59Å; N143-L148 HydrophobicContact CB-CG 3.81Å; N143-L148 VanDerWaalsContact OD1-CB 3.22Å; N143-L148 WeakPolarHBondContact OD1-CB 3.39Å; N143-L148 VanDerWaalsContact OD1-CG 3.26Å; N143-L148 WeakPolarHBondContact OD1-CG 3.42Å; N143-L148 PolarHBondContact OD1-N 2.74Å; N143-L263 PolarHBondContact ND2-O 3.16Å; N143-T265 HydrophobicContact CB-CG2 4.39Å; N143-T265 WeakPolarHBondContact CB-OG1 3.35Å; N143-T265 PolarHBondContact ND2-OG1 3.01Å; N143-T265 VanDerWaalsContact ND2-OG1 3.14Å; N143-T265 PolarHBondContact O-OG1 2.85Å
144E96.5Very high97.3Very high88 Ų8845.8 Ų45.841%0.41124%0.24SC..THydrogen-bonded Turntrans-58.4-29178.3-176.5176.6-165.800113.5M141 K239 V266M141-E144 WeakPolarHBondContact O-CB 3.46Å; M141-E144 PolarHBondContact O-N 3.06Å; E144-K239 IonicContact OE1-NZ 3.22Å; E144-K239 PolarHBondContact OE1-NZ 3.2Å; E144-V266 HydrophobicContact CB-CG2 4.09Å; E144-V266 HydrophobicContact CG-CG1 4.46Å; E144-V266 HydrophobicContact CG-CG2 4.27Å
145D96Very high97.2Very high112 Ų11252.1 Ų52.160%0.59927%0.273SS*.THydrogen-bonded Turntrans-87.9-0.2176.666.2-8.1000113.9N143 H147N143-D145 PolarHBondContact O-N 3.31Å; D145-H147 IonicContact OD1-CE1 3.82Å; D145-H147 IonicContact OD1-CG 2.82Å; D145-H147 PolarHBondContact OD1-N 2.85Å; D145-H147 IonicContact OD1-ND1 3.86Å; D145-H147 PolarHBondContact OD1-ND1 3.1Å; D145-H147 IonicContact OD2-ND1 3.79Å
146N96.4Very high97Very high46 Ų4653.3 Ų53.325%0.24628%0.28CS..  trans60.734.8-178-43.7-73.8000114.4N143 C262 V264N143-N146 PolarHBondContact O-N 3.14Å; N143-N146 WeakPolarHBondContact OD1-CA 3.27Å; N146-C262 WeakPolarHBondContact O-CB 3.41Å; N146-V264 WeakPolarHBondContact OD1-CA 3.44Å; N146-V264 WeakPolarHBondContact OD1-CG2 3.3Å
147H96.8Very high96.9Very high103 Ų10356.6 Ų56.648%0.47730%0.297SS..  trans-75.9-21.1178.275-88.5000114.1N142 N143 D145N142-H147 PolarHBondContact O-CE1 3.5Å; N143-H147 PolarHBondContact OD1-N 3.19Å; N143-H147 VanDerWaalsContact OD1-N 3.16Å; D145-H147 IonicContact OD1-CE1 3.82Å; D145-H147 IonicContact OD1-CG 2.82Å; D145-H147 PolarHBondContact OD1-N 2.85Å; D145-H147 IonicContact OD1-ND1 3.86Å; D145-H147 PolarHBondContact OD1-ND1 3.1Å; D145-H147 IonicContact OD2-ND1 3.79Å
148L97.4Very high96.8Very high29 Ų2963 Ų6315%0.15233%0.331CS..PPolyproline II helixtrans-73138.1-178.8-62.3-175.6000111.7F139 N143 T152 C262 L263F139-L148 HydrophobicContact CD2-CD1 4.21Å; F139-L148 HydrophobicContact CE1-CD1 4.08Å; F139-L148 HydrophobicContact CE2-CD1 3.58Å; F139-L148 HydrophobicContact CZ-CD1 3.51Å; N143-L148 HydrophobicContact CB-CB 4.42Å; N143-L148 HydrophobicContact CB-CD1 3.59Å; N143-L148 HydrophobicContact CB-CG 3.81Å; N143-L148 VanDerWaalsContact OD1-CB 3.22Å; N143-L148 WeakPolarHBondContact OD1-CB 3.39Å; N143-L148 VanDerWaalsContact OD1-CG 3.26Å; N143-L148 WeakPolarHBondContact OD1-CG 3.42Å; N143-L148 PolarHBondContact OD1-N 2.74Å; L148-T152 HydrophobicContact CB-CG2 4.47Å; L148-T152 HydrophobicContact CD1-CG2 4.21Å; L148-T152 HydrophobicContact CD2-CG2 4.05Å; L148-T152 HydrophobicContact CG-CG2 4.48Å; L148-C262 CarbonylContact O-C 3.58Å; L148-C262 VanDerWaalsContact O-CA 3.23Å; L148-C262 WeakPolarHBondContact O-CA 3.34Å; L148-L263 HydrophobicContact CB-CD1 4.36Å; L148-L263 PolarHBondContact O-N 3.36Å
149K97.4Very high96.7Very high100 Ų10065.3 Ų65.344%0.43535%0.351SS..PPolyproline II helixtrans-85.9155.4-178.6-62.5-54.8-164.1157.80112.1G151 T152 D261 L263K149-G151 PolarHBondContact O-N 2.78Å; K149-T152 PolarHBondContact N-OG1 2.96Å; K149-T152 VanDerWaalsContact O-CB 3.29Å; K149-T152 WeakPolarHBondContact O-CB 3.41Å; K149-T152 PolarHBondContact O-N 3.11Å; K149-T152 PolarHBondContact O-OG1 3.46Å; K149-D261 WeakPolarHBondContact CD-O 3.47Å; K149-D261 WeakPolarHBondContact CD-OD2 3.46Å; K149-D261 WeakPolarHBondContact CE-OD2 3.17Å; K149-D261 PolarHBondContact NZ-O 3.1Å; K149-D261 IonicContact NZ-OD2 3.62Å; K149-D261 PolarHBondContact NZ-OD2 3.29Å; K149-L263 WeakPolarHBondContact O-CD1 3.29Å
150I96.2Very high96.7Very high51 Ų5167.5 Ų67.526%0.26236%0.361SS..THydrogen-bonded Turntrans-58.5135.8169.8-65.4173.1000108.3E256 P258 L263I150-E256 HydrophobicContact CD1-CB 4.03Å; I150-E256 HydrophobicContact CD1-CG 4.5Å; I150-E256 HydrophobicContact CG1-CB 4.27Å; I150-E256 HydrophobicContact CG1-CG 4.29Å; I150-E256 HydrophobicContact CG2-CG 4.4Å; I150-P258 HydrophobicContact CD1-CB 4.23Å; I150-P258 HydrophobicContact CD1-CG 4.28Å; I150-L263 HydrophobicContact CG1-CD2 4.29Å
151G94.1Very high96.6Very high63 Ų6367.8 Ų67.865%0.64936%0.363SS*.THydrogen-bonded Turntrans83.53.5-174.200000115.5K149 K153K149-G151 PolarHBondContact O-N 2.78Å; G151-K153 PolarHBondContact O-N 2.89Å
152T96.6Very high96.6Very high42 Ų4269.2 Ų69.226%0.25838%0.376SS..PPolyproline II helixtrans-58.5128.9169.5-60.80000110F139 L148 K149F139-T152 HydrophobicContact CE2-CG2 4.13Å; F139-T152 HydrophobicContact CZ-CG2 4.48Å; L148-T152 HydrophobicContact CB-CG2 4.47Å; L148-T152 HydrophobicContact CD1-CG2 4.21Å; L148-T152 HydrophobicContact CD2-CG2 4.05Å; L148-T152 HydrophobicContact CG-CG2 4.48Å; K149-T152 PolarHBondContact N-OG1 2.96Å; K149-T152 VanDerWaalsContact O-CB 3.29Å; K149-T152 WeakPolarHBondContact O-CB 3.41Å; K149-T152 PolarHBondContact O-N 3.11Å; K149-T152 PolarHBondContact O-OG1 3.46Å
153K96.6Very high96.7Very high178 Ų17870.2 Ų70.277%0.77438%0.381SS*.PPolyproline II helixtrans-81.2136.5176.3-65.2-174.9178.7-176.90110.6G151 I155G151-K153 PolarHBondContact O-N 2.89Å; K153-I155 PolarHBondContact O-N 3.24Å
154V97.5Very high96.7Very high10 Ų1070.4 Ų70.46%0.06138%0.382CS..PPolyproline II helixtrans-72.6126168.8-174.10000108.2L124 A126 T135 F139 P252L124-V154 HydrophobicContact CB-CG2 3.67Å; A126-V154 HydrophobicContact CB-CG1 3.9Å; T135-V154 HydrophobicContact CG2-CG1 3.58Å; F139-V154 HydrophobicContact CB-CG1 4.33Å; F139-V154 HydrophobicContact CD1-CG2 4.46Å; F139-V154 HydrophobicContact CD2-CB 4.17Å; F139-V154 HydrophobicContact CD2-CG1 4.03Å; F139-V154 HydrophobicContact CD2-CG2 3.83Å; F139-V154 HydrophobicContact CE1-CG2 4.46Å; F139-V154 HydrophobicContact CE2-CB 4.38Å; F139-V154 HydrophobicContact CE2-CG2 3.8Å; F139-V154 HydrophobicContact CG-CG1 4.3Å; F139-V154 HydrophobicContact CG-CG2 4.16Å; F139-V154 HydrophobicContact CZ-CG2 4.13Å; V154-P252 HydrophobicContact CG1-CG 4.45Å; V154-P252 HydrophobicContact CG2-CG 3.83Å
155I95.1Very high96.7Very high133 Ų13366.4 Ų66.468%0.68236%0.363SS*.  trans-130.5142.4178.461.5171.7000109.6K153 N157K153-I155 PolarHBondContact O-N 3.24Å; I155-N157 PolarHBondContact O-N 3.17Å
156T95.5Very high96.9Very high28 Ų2864.8 Ų64.817%0.17235%0.352CS..  trans-77.8112175.3-62.10000109.7D129 T135 I158 V161D129-T156 WeakPolarHBondContact OD2-CB 3.15Å; D129-T156 WeakPolarHBondContact OD2-CG2 3.3Å; D129-T156 PolarHBondContact OD2-OG1 3.31Å; T135-T156 WeakPolarHBondContact OG1-CG2 3.49Å; T135-T156 PolarHBondContact OG1-OG1 3.15Å; T156-I158 HydrophobicContact CG2-CG1 4.38Å; T156-I158 PolarHBondContact O-N 3.28Å; T156-V161 HydrophobicContact CG2-CG2 3.96Å
157N96Very high96.9Very high68 Ų6867 Ų6736%0.36436%0.363SS..  trans-8197.4164.7-176.2-18.3000108.9I155 A159 E160 V161I155-N157 PolarHBondContact O-N 3.17Å; N157-A159 PolarHBondContact O-N 2.95Å; N157-A159 PolarHBondContact OD1-N 3.31Å; N157-E160 HydrophobicContact CB-CB 4.08Å; N157-E160 HydrophobicContact CB-CG 4.34Å; N157-E160 WeakPolarHBondContact ND2-CG 3.32Å; N157-E160 PolarHBondContact ND2-OE1 3.31Å; N157-E160 PolarHBondContact O-N 2.96Å; N157-E160 VanDerWaalsContact O-N 3.15Å; N157-E160 PolarHBondContact OD1-N 3.3Å; N157-V161 WeakPolarHBondContact O-CG2 3.44Å; N157-V161 PolarHBondContact O-N 3.19Å
158I95.7Very high97Very high136 Ų13662.1 Ų62.170%0.69734%0.34SS*.Hα-helixtrans-54.7-38.3-176-62.1172.9000111.8T156 S162T156-I158 HydrophobicContact CG2-CG1 4.38Å; T156-I158 PolarHBondContact O-N 3.28Å; I158-S162 VanDerWaalsContact O-CB 3.27Å; I158-S162 WeakPolarHBondContact O-CB 3.36Å; I158-S162 PolarHBondContact O-N 3.29Å
159A97.3Very high97.1Very high60 Ų6060.7 Ų60.750%0.49633%0.333SS..Hα-helixtrans-69-44.4-179.400000111.8N157 S162 N163N157-A159 PolarHBondContact O-N 2.95Å; N157-A159 PolarHBondContact OD1-N 3.31Å; A159-S162 PolarHBondContact O-N 2.95Å; A159-N163 WeakPolarHBondContact O-CB 3.38Å; A159-N163 PolarHBondContact O-N 3.42Å; A159-N163 PolarHBondContact O-ND2 2.83Å
160E97.5Very high97.1Very high65 Ų6557.7 Ų57.730%0.30433%0.33SS..Hα-helixtrans-67-41.8176.6-75176.2-15200111.9L138 N142 N157 S162 N163 L164L138-E160 HydrophobicContact CD1-CB 3.72Å; L138-E160 HydrophobicContact CD2-CB 4.33Å; N142-E160 PolarHBondContact ND2-OE2 2.92Å; N157-E160 HydrophobicContact CB-CB 4.08Å; N157-E160 HydrophobicContact CB-CG 4.34Å; N157-E160 WeakPolarHBondContact ND2-CG 3.32Å; N157-E160 PolarHBondContact ND2-OE1 3.31Å; N157-E160 PolarHBondContact O-N 2.96Å; N157-E160 VanDerWaalsContact O-N 3.15Å; N157-E160 PolarHBondContact OD1-N 3.3Å; E160-S162 PolarHBondContact O-N 3.49Å; E160-N163 PolarHBondContact O-N 3.37Å; E160-L164 WeakPolarHBondContact O-CB 3.39Å; E160-L164 PolarHBondContact O-N 3.46Å
161V97.9Very high97.2Very high6 Ų657.4 Ų57.44%0.03633%0.329CS..Hα-helixtrans-60.8-45.6175.11680000110.9F134 L138 T156 N157 L164 R165F134-V161 HydrophobicContact CB-CB 4.49Å; F134-V161 HydrophobicContact CB-CG1 4.06Å; F134-V161 HydrophobicContact CB-CG2 4Å; F134-V161 HydrophobicContact CD2-CG1 4.36Å; F134-V161 HydrophobicContact CG-CG1 4.38Å; L138-V161 HydrophobicContact CD1-CG2 3.8Å; T156-V161 HydrophobicContact CG2-CG2 3.96Å; N157-V161 WeakPolarHBondContact O-CG2 3.44Å; N157-V161 PolarHBondContact O-N 3.19Å; V161-L164 PolarHBondContact O-N 2.85Å; V161-R165 WeakPolarHBondContact O-CG 3.29Å; V161-R165 PolarHBondContact O-N 2.97Å
162S97.7Very high97.4Very high53 Ų5354.4 Ų54.437%0.37130%0.298SS..Hα-helixtrans-60.6-46.9176.8-1690000111I158 A159 E160 L164 R165 E166I158-S162 VanDerWaalsContact O-CB 3.27Å; I158-S162 WeakPolarHBondContact O-CB 3.36Å; I158-S162 PolarHBondContact O-N 3.29Å; A159-S162 PolarHBondContact O-N 2.95Å; E160-S162 PolarHBondContact O-N 3.49Å; S162-L164 VanDerWaalsContact C-N 3.29Å; S162-L164 PolarHBondContact O-N 3.42Å; S162-R165 PolarHBondContact O-N 3Å; S162-E166 WeakPolarHBondContact O-CG 3.36Å; S162-E166 PolarHBondContact O-N 2.83Å
163N97.8Very high97.4Very high103 Ų10355.8 Ų55.855%0.55130%0.303SS*.Hα-helixtrans-60.8-39.6177.3-71.3-20.7000111.9A159 E160 E166 L167A159-N163 WeakPolarHBondContact O-CB 3.38Å; A159-N163 PolarHBondContact O-N 3.42Å; A159-N163 PolarHBondContact O-ND2 2.83Å; E160-N163 PolarHBondContact O-N 3.37Å; N163-E166 WeakPolarHBondContact O-CB 3.44Å; N163-E166 PolarHBondContact O-N 3.12Å; N163-L167 WeakPolarHBondContact O-CG 3.43Å; N163-L167 PolarHBondContact O-N 3.27Å
164L97.9Very high97.5Very high4 Ų451.7 Ų51.72%0.02130%0.297CS..Hα-helixtrans-66.1-41.5178.6-166.859.1000111.7F134 L138 E160 V161 S162 L167 I168 L210 L213 Y214F134-L164 HydrophobicContact CB-CD2 4.17Å; F134-L164 HydrophobicContact CD1-CD2 4.08Å; F134-L164 HydrophobicContact CD1-CG 4.43Å; L138-L164 HydrophobicContact CD1-CD2 4.24Å; L138-L164 HydrophobicContact CD2-CD2 4.19Å; L138-L164 HydrophobicContact CG-CD2 3.97Å; E160-L164 WeakPolarHBondContact O-CB 3.39Å; E160-L164 PolarHBondContact O-N 3.46Å; V161-L164 PolarHBondContact O-N 2.85Å; S162-L164 VanDerWaalsContact C-N 3.29Å; S162-L164 PolarHBondContact O-N 3.42Å; L164-L167 PolarHBondContact O-N 2.84Å; L164-I168 HydrophobicContact CG-CD1 4.41Å; L164-I168 VanDerWaalsContact O-CG1 3.31Å; L164-I168 WeakPolarHBondContact O-CG1 3.38Å; L164-I168 PolarHBondContact O-N 3.4Å; L164-L210 HydrophobicContact CD1-CD2 3.45Å; L164-L210 VanDerWaalsContact CD1-CD2 3.45Å; L164-L210 HydrophobicContact CD2-CD1 4.49Å; L164-L210 HydrophobicContact CD2-CD2 3.7Å; L164-L210 HydrophobicContact CG-CD2 3.68Å; L164-L213 HydrophobicContact CD1-CD2 3.93Å; L164-Y214 HydrophobicContact CD1-CE2 4.31Å
165R98.4Very high97.5Very high4 Ų454 Ų542%0.01531%0.309CS..Hα-helixtrans-63.2-40.1173.8-70.5172.3179.1-85.48.8112.2N130 S131 F134 V161 S162 I168 S169 I195 Q197 K200N130-R165 PolarHBondContact O-NH2 2.9Å; N130-R165 VanDerWaalsContact O-NH2 3.07Å; S131-R165 PolarHBondContact OG-NH2 3.43Å; S131-R165 VanDerWaalsContact OG-NH2 3.14Å; F134-R165 HydrophobicContact CD1-CG 4.46Å; F134-R165 HydrophobicContact CE1-CG 4.23Å; F134-R165 HydrophobicContact CE2-CG 4.41Å; F134-R165 HydrophobicContact CZ-CG 4.19Å; V161-R165 WeakPolarHBondContact O-CG 3.29Å; V161-R165 PolarHBondContact O-N 2.97Å; S162-R165 PolarHBondContact O-N 3Å; R165-I168 PolarHBondContact O-N 2.88Å; R165-S169 VanDerWaalsContact O-CB 3.27Å; R165-S169 WeakPolarHBondContact O-CB 3.28Å; R165-S169 PolarHBondContact O-N 3.4Å; R165-I195 WeakPolarHBondContact CB-O 3.43Å; R165-I195 VanDerWaalsContact CD-O 3.3Å; R165-I195 WeakPolarHBondContact CD-O 3.33Å; R165-I195 WeakPolarHBondContact CG-O 3.28Å; R165-I195 PolarHBondContact NH1-O 2.8Å; R165-Q197 PolarHBondContact NH1-O 2.9Å; R165-K200 VanDerWaalsContact CZ-O 3.29Å; R165-K200 PolarHBondContact NH1-O 3.4Å; R165-K200 PolarHBondContact NH2-O 2.89Å
166E98.3Very high97.6Very high79 Ų7951.2 Ų51.237%0.36930%0.299SS..Hα-helixtrans-61.5-43.6173.5-70.8-59.513800112S162 N163 S169 G170 R196S162-E166 WeakPolarHBondContact O-CG 3.36Å; S162-E166 PolarHBondContact O-N 2.83Å; N163-E166 WeakPolarHBondContact O-CB 3.44Å; N163-E166 PolarHBondContact O-N 3.12Å; E166-S169 WeakPolarHBondContact O-CB 3.37Å; E166-S169 PolarHBondContact O-N 3.33Å; E166-G170 PolarHBondContact O-N 2.83Å; E166-R196 WeakPolarHBondContact OE1-CD 3.44Å; E166-R196 VanDerWaalsContact OE1-CG 3.29Å; E166-R196 WeakPolarHBondContact OE1-CG 3.36Å; E166-R196 IonicContact OE2-CZ 3.7Å; E166-R196 IonicContact OE2-NH1 3.7Å; E166-R196 PolarHBondContact OE2-NH1 2.69Å
167L98Very high97.6Very high92 Ų9257 Ų5748%0.48233%0.328SS..Hα-helixtrans-62.7-47.3176.6-73.7171.2000112N163 L164 S169 G170 I171 L213N163-L167 WeakPolarHBondContact O-CG 3.43Å; N163-L167 PolarHBondContact O-N 3.27Å; L164-L167 PolarHBondContact O-N 2.84Å; L167-S169 VanDerWaalsContact C-N 3.29Å; L167-S169 PolarHBondContact O-N 3.45Å; L167-G170 PolarHBondContact O-N 2.77Å; L167-I171 WeakPolarHBondContact O-CG1 3.49Å; L167-I171 PolarHBondContact O-N 2.83Å; L167-L213 HydrophobicContact CD1-CD2 4.28Å
168I98.4Very high97.6Very high0 Ų057.8 Ų57.80%033%0.328CS..Hα-helixtrans-57.6-47.4176.3-70.9167.7000110.1F134 L164 R165 G170 I171 V172 I195 E206 I209 L210F134-I168 HydrophobicContact CD1-CD1 4.15Å; F134-I168 HydrophobicContact CE1-CD1 3.61Å; L164-I168 HydrophobicContact CG-CD1 4.41Å; L164-I168 VanDerWaalsContact O-CG1 3.31Å; L164-I168 WeakPolarHBondContact O-CG1 3.38Å; L164-I168 PolarHBondContact O-N 3.4Å; R165-I168 PolarHBondContact O-N 2.88Å; I168-G170 VanDerWaalsContact C-N 3.33Å; I168-G170 PolarHBondContact O-N 2.92Å; I168-I171 PolarHBondContact O-N 2.76Å; I168-V172 WeakPolarHBondContact O-CG2 3.42Å; I168-V172 PolarHBondContact O-N 2.9Å; I168-I195 HydrophobicContact CG2-CG1 4.03Å; I168-I195 HydrophobicContact CG2-CG2 4.43Å; I168-E206 HydrophobicContact CD1-CB 4.26Å; I168-E206 HydrophobicContact CD1-CG 4.01Å; I168-E206 HydrophobicContact CG2-CG 4.37Å; I168-I209 HydrophobicContact CB-CG2 4.47Å; I168-I209 HydrophobicContact CG1-CG2 3.95Å; I168-I209 HydrophobicContact CG2-CD1 3.91Å; I168-I209 HydrophobicContact CG2-CG2 4.49Å; I168-L210 HydrophobicContact CD1-CD1 4.43Å; I168-L210 HydrophobicContact CD1-CD2 3.99Å; I168-L210 HydrophobicContact CD1-CG 4.14Å; I168-L210 HydrophobicContact CG1-CD2 4.35Å
169S98.3Very high97.7Very high0 Ų051.4 Ų51.40%030%0.295CS..Hα-helixtrans-59.7-42.7177.1173.80000112.6R165 E166 L167 I171 V172 L173 S192 R196R165-S169 VanDerWaalsContact O-CB 3.27Å; R165-S169 WeakPolarHBondContact O-CB 3.28Å; R165-S169 PolarHBondContact O-N 3.4Å; E166-S169 WeakPolarHBondContact O-CB 3.37Å; E166-S169 PolarHBondContact O-N 3.33Å; L167-S169 VanDerWaalsContact C-N 3.29Å; L167-S169 PolarHBondContact O-N 3.45Å; S169-I171 VanDerWaalsContact C-N 3.34Å; S169-V172 PolarHBondContact O-N 2.66Å; S169-L173 WeakPolarHBondContact O-CG 3.46Å; S169-L173 PolarHBondContact O-N 2.87Å; S169-S192 PolarHBondContact OG-O 2.99Å; S169-S192 PolarHBondContact OG-OG 3.31Å; S169-R196 PolarHBondContact OG-NE 2.66Å; S169-R196 PolarHBondContact OG-NH2 3.07Å
170G98.2Very high97.7Very high36 Ų3650.6 Ų50.637%0.37129%0.286SS..Hα-helixtrans-61-41.3174.900000112.7E166 L167 I168 L173 S174E166-G170 PolarHBondContact O-N 2.83Å; L167-G170 PolarHBondContact O-N 2.77Å; I168-G170 VanDerWaalsContact C-N 3.33Å; I168-G170 PolarHBondContact O-N 2.92Å; G170-L173 PolarHBondContact O-N 2.94Å; G170-S174 WeakPolarHBondContact O-CB 3.34Å; G170-S174 PolarHBondContact O-N 3.44Å
171I97.9Very high97.6Very high45 Ų4553.7 Ų53.723%0.23130%0.3CS..Hα-helixtrans-63.1-46.5175.9-69.5167000110.7L167 I168 S169 L173 S174 D175 Y179 I209 L213L167-I171 WeakPolarHBondContact O-CG1 3.49Å; L167-I171 PolarHBondContact O-N 2.83Å; I168-I171 PolarHBondContact O-N 2.76Å; S169-I171 VanDerWaalsContact C-N 3.34Å; I171-L173 PolarHBondContact O-N 3.11Å; I171-S174 PolarHBondContact O-N 3.31Å; I171-S174 VanDerWaalsContact O-N 3.17Å; I171-S174 PolarHBondContact O-OG 3.27Å; I171-D175 PolarHBondContact O-N 2.68Å; I171-Y179 HydrophobicContact CG2-CE2 3.87Å; I171-I209 HydrophobicContact CB-CG2 4.29Å; I171-I209 HydrophobicContact CD1-CG2 3.58Å; I171-I209 HydrophobicContact CG2-CG1 4.46Å; I171-I209 HydrophobicContact CG2-CG2 4.1Å; I171-L213 HydrophobicContact CD1-CD1 4.32Å
172V98Very high97.4Very high0 Ų058.1 Ų58.10%034%0.338CS..Hα-helixtrans-58.2-48.2177.8169.20000111.2I168 S169 S174 D175 Y179 L184 N188 Y191 I209I168-V172 WeakPolarHBondContact O-CG2 3.42Å; I168-V172 PolarHBondContact O-N 2.9Å; S169-V172 PolarHBondContact O-N 2.66Å; V172-S174 VanDerWaalsContact C-N 3.26Å; V172-S174 PolarHBondContact O-N 2.98Å; V172-D175 PolarHBondContact O-N 3.33Å; V172-Y179 HydrophobicContact CB-CG 4.46Å; V172-Y179 HydrophobicContact CG1-CG 4.42Å; V172-Y179 HydrophobicContact CG2-CD1 4.3Å; V172-Y179 HydrophobicContact CG2-CG 4.26Å; V172-L184 HydrophobicContact CG1-CD1 3.99Å; V172-N188 WeakPolarHBondContact CG1-ND2 3.28Å; V172-N188 PolarHBondContact O-ND2 2.87Å; V172-Y191 HydrophobicContact CG1-CD1 4.07Å; V172-Y191 HydrophobicContact CG2-CD1 4.13Å; V172-Y191 HydrophobicContact CG2-CE1 4.17Å; V172-I209 HydrophobicContact CG2-CD1 3.78Å
173L98.2Very high97.1Very high72 Ų7260.5 Ų60.538%0.37734%0.342SS..Hα-helixtrans-64.7-28.9178.4-72.7172.8000113.4S169 G170 I171 D175 N188 S192S169-L173 WeakPolarHBondContact O-CG 3.46Å; S169-L173 PolarHBondContact O-N 2.87Å; G170-L173 PolarHBondContact O-N 2.94Å; I171-L173 PolarHBondContact O-N 3.11Å; L173-D175 VanDerWaalsContact C-N 3.33Å; L173-D175 PolarHBondContact O-N 3.48Å; L173-N188 WeakPolarHBondContact CA-OD1 3.41Å; L173-N188 WeakPolarHBondContact CD2-OD1 3.42Å; L173-S192 VanDerWaalsContact CD1-OG 3.25Å; L173-S192 WeakPolarHBondContact CD1-OG 3.38Å; L173-S192 VanDerWaalsContact CG-OG 3.32Å; L173-S192 WeakPolarHBondContact CG-OG 3.42Å
174S97.9Very high96.8Very high92 Ų9256.2 Ų56.264%0.64332%0.318SS*.Hα-helixtrans-74.9-20.5-176.373.90000114.2G170 I171 V172G170-S174 WeakPolarHBondContact O-CB 3.34Å; G170-S174 PolarHBondContact O-N 3.44Å; I171-S174 PolarHBondContact O-N 3.31Å; I171-S174 VanDerWaalsContact O-N 3.17Å; I171-S174 PolarHBondContact O-OG 3.27Å; V172-S174 VanDerWaalsContact C-N 3.26Å; V172-S174 PolarHBondContact O-N 2.98Å
175D96.9Very high96.5Very high59 Ų5959.3 Ų59.332%0.31635%0.351SS..  trans-136.672.3-178-170.4-8000111.5I171 V172 L173 I177 K178 Y179I171-D175 PolarHBondContact O-N 2.68Å; V172-D175 PolarHBondContact O-N 3.33Å; L173-D175 VanDerWaalsContact C-N 3.33Å; L173-D175 PolarHBondContact O-N 3.48Å; D175-I177 PolarHBondContact O-N 2.9Å; D175-I177 PolarHBondContact OD1-N 3.3Å; D175-K178 HydrophobicContact CB-CB 4.26Å; D175-K178 PolarHBondContact O-N 3.44Å; D175-K178 WeakPolarHBondContact OD1-CB 3.42Å; D175-K178 PolarHBondContact OD1-N 2.98Å; D175-K178 WeakPolarHBondContact OD2-CB 3.21Å; D175-Y179 HydrophobicContact CB-CD2 4.02Å; D175-Y179 HydrophobicContact CB-CE2 4.22Å; D175-Y179 WeakPolarHBondContact O-CB 3.44Å; D175-Y179 VanDerWaalsContact O-CD2 3.29Å; D175-Y179 WeakPolarHBondContact O-CD2 3.42Å; D175-Y179 PolarHBondContact O-N 3.18Å
176P96.9Very high96.3Very high73 Ų7361.2 Ų61.247%0.47436%0.361SS..THydrogen-bonded Turntrans-67.9-12.618028.4-35.8000113.5Y179 S180P176-Y179 CarbonylContact O-C 3.49Å; P176-S180 WeakPolarHBondContact O-CA 3.44Å; P176-S180 PolarHBondContact O-N 2.81Å
177I97.3Very high96.2Very high151 Ų15159 Ų5977%0.77435%0.354SS*.THydrogen-bonded Turntrans-76-50.1175-61.2176.3000109.3D175D175-I177 PolarHBondContact O-N 2.9Å; D175-I177 PolarHBondContact OD1-N 3.3Å
178K96Very high96.2Very high84 Ų8455.7 Ų55.737%0.36534%0.337SS..THydrogen-bonded Turntrans-67.1-51.2174.5-178.2-177.7178.5-169.20111.1D175 S180D175-K178 HydrophobicContact CB-CB 4.26Å; D175-K178 PolarHBondContact O-N 3.44Å; D175-K178 WeakPolarHBondContact OD1-CB 3.42Å; D175-K178 PolarHBondContact OD1-N 2.98Å; D175-K178 WeakPolarHBondContact OD2-CB 3.21Å; K178-S180 PolarHBondContact O-N 2.91Å; K178-S180 VanDerWaalsContact O-N 3.12Å
179Y96.8Very high96.2Very high2 Ų262.4 Ų62.41%0.00837%0.368CS..THydrogen-bonded Turntrans-90.758.1179.7-55.7-70.9000110.6I171 V172 D175 P176 F183 L184 N188 I209I171-Y179 HydrophobicContact CG2-CE2 3.87Å; V172-Y179 HydrophobicContact CB-CG 4.46Å; V172-Y179 HydrophobicContact CG1-CG 4.42Å; V172-Y179 HydrophobicContact CG2-CD1 4.3Å; V172-Y179 HydrophobicContact CG2-CG 4.26Å; D175-Y179 HydrophobicContact CB-CD2 4.02Å; D175-Y179 HydrophobicContact CB-CE2 4.22Å; D175-Y179 WeakPolarHBondContact O-CB 3.44Å; D175-Y179 VanDerWaalsContact O-CD2 3.29Å; D175-Y179 WeakPolarHBondContact O-CD2 3.42Å; D175-Y179 PolarHBondContact O-N 3.18Å; P176-Y179 CarbonylContact O-C 3.49Å; Y179-F183 HydrophobicContact CD1-CD1 4.1Å; Y179-F183 HydrophobicContact CD1-CE1 4.01Å; Y179-F183 HydrophobicContact CE1-CE1 4.25Å; Y179-L184 HydrophobicContact CD1-CD2 4.27Å; Y179-L184 WeakPolarHBondContact O-CD1 3.35Å; Y179-N188 PolarHBondContact O-ND2 2.94Å; Y179-I209 HydrophobicContact CE1-CD1 3.82Å; Y179-I209 HydrophobicContact CE1-CG1 4.01Å; Y179-I209 WeakPolarHBondContact OH-CG1 3.24Å
180S96.5Very high96.2Very high43 Ų4367.6 Ų67.630%0.30139%0.392SS..  trans-74.6165.5177.465.50000111.8P176 K178 A182 F183 L184P176-S180 WeakPolarHBondContact O-CA 3.44Å; P176-S180 PolarHBondContact O-N 2.81Å; K178-S180 PolarHBondContact O-N 2.91Å; K178-S180 VanDerWaalsContact O-N 3.12Å; S180-A182 PolarHBondContact O-N 3.32Å; S180-F183 WeakPolarHBondContact O-CB 3.37Å; S180-F183 PolarHBondContact O-N 3.29Å; S180-L184 WeakPolarHBondContact O-CG 3.45Å; S180-L184 PolarHBondContact O-N 3.37Å
181E95.5Very high96.1Very high129 Ų12967 Ų6760%0.60338%0.379SS*.Hα-helixtrans-57.5-34.8175.4-180170.6174.800112.9F183 G185 M186E181-F183 VanDerWaalsContact C-N 3.29Å; E181-F183 PolarHBondContact O-N 3.42Å; E181-G185 WeakPolarHBondContact O-CA 3.31Å; E181-G185 PolarHBondContact O-N 3.26Å; E181-M186 VanDerWaalsContact CA-O 3.31Å; E181-M186 WeakPolarHBondContact CA-O 3.39Å
182A93.5Very high96.1Very high99 Ų9964.9 Ų64.982%0.81837%0.368SS*.Hα-helixtrans-65.4-32174.900000112.8S180S180-A182 PolarHBondContact O-N 3.32Å
183F91.6Very high96.1Very high104 Ų10469.5 Ų69.546%0.45639%0.393SS..Hα-helixtrans-80.9-40.9178.2-172.8-89.2000112Y179 S180 E181 I205Y179-F183 HydrophobicContact CD1-CD1 4.1Å; Y179-F183 HydrophobicContact CD1-CE1 4.01Å; Y179-F183 HydrophobicContact CE1-CE1 4.25Å; S180-F183 WeakPolarHBondContact O-CB 3.37Å; S180-F183 PolarHBondContact O-N 3.29Å; E181-F183 VanDerWaalsContact C-N 3.29Å; E181-F183 PolarHBondContact O-N 3.42Å; F183-I205 HydrophobicContact CE1-CD1 4.42Å; F183-I205 HydrophobicContact CE1-CG1 3.91Å; F183-I205 HydrophobicContact CE1-CG2 4.26Å
184L93Very high96Very high12 Ų1269.2 Ų69.26%0.06339%0.39CS..Hα-helixtrans-87.8-18.8-174.1-62.6173.3000113.8V172 Y179 S180 M186 N188 Y191 I205V172-L184 HydrophobicContact CG1-CD1 3.99Å; Y179-L184 HydrophobicContact CD1-CD2 4.27Å; Y179-L184 WeakPolarHBondContact O-CD1 3.35Å; S180-L184 WeakPolarHBondContact O-CG 3.45Å; S180-L184 PolarHBondContact O-N 3.37Å; L184-M186 PolarHBondContact O-N 2.99Å; L184-N188 HydrophobicContact CD1-CB 4.26Å; L184-Y191 HydrophobicContact CB-CD2 3.89Å; L184-Y191 HydrophobicContact CB-CE2 4.46Å; L184-Y191 HydrophobicContact CB-CG 4.25Å; L184-Y191 HydrophobicContact CD1-CG 4.04Å; L184-Y191 HydrophobicContact CD2-CD1 3.94Å; L184-Y191 HydrophobicContact CD2-CD2 3.85Å; L184-Y191 HydrophobicContact CD2-CE1 4.07Å; L184-Y191 HydrophobicContact CD2-CE2 3.97Å; L184-Y191 HydrophobicContact CD2-CG 3.82Å; L184-Y191 HydrophobicContact CG-CD2 4.29Å; L184-Y191 HydrophobicContact CG-CG 4.26Å; L184-I205 HydrophobicContact CD2-CD1 4.09Å; L184-I205 HydrophobicContact CD2-CG2 4.27Å
185G91.3Very high96Very high69 Ų6965.1 Ų65.171%0.71136%0.361SS*.SBendtrans745-172.100000114.6E181E181-G185 WeakPolarHBondContact O-CA 3.31Å; E181-G185 PolarHBondContact O-N 3.26Å
186M93.2Very high96Very high45 Ų4565.9 Ų65.922%0.22236%0.359CS..SBendtrans-159.7171.617666-174.175.700109.6E181 L184 Q190 Y191 Q194E181-M186 VanDerWaalsContact CA-O 3.31Å; E181-M186 WeakPolarHBondContact CA-O 3.39Å; L184-M186 PolarHBondContact O-N 2.99Å; M186-Q190 HydrophobicContact CG-CB 4.32Å; M186-Q190 HydrophobicContact SD-CB 4.27Å; M186-Y191 HydrophobicContact CE-CD2 4.32Å; M186-Y191 HydrophobicContact CG-CD2 4.07Å; M186-Y191 HydrophobicContact CG-CG 4.49Å; M186-Y191 VanDerWaalsContact SD-CA 3.58Å; M186-Y191 HydrophobicContact SD-CD2 4.04Å; M186-Y191 HydrophobicContact SD-CG 4.49Å; M186-Q194 HydrophobicContact SD-CG 4.45Å; M186-Q194 PolarHBondContact SD-NE2 3.27Å
187S97.2Very high95.9Very high31 Ų3166.5 Ų66.522%0.21736%0.356CS..  trans-61.6149.9-179.787.30000111.9E189 Q190 Y191S187-E189 VanDerWaalsContact C-N 3.28Å; S187-E189 PolarHBondContact O-N 3.41Å; S187-Q190 PolarHBondContact O-N 3.18Å; S187-Q190 VanDerWaalsContact O-N 3.08Å; S187-Q190 WeakPolarHBondContact OG-CB 3.17Å; S187-Q190 WeakPolarHBondContact OG-CG 3.36Å; S187-Q190 PolarHBondContact OG-N 3.19Å; S187-Q190 VanDerWaalsContact OG-N 3.15Å; S187-Q190 PolarHBondContact OG-OE1 2.88Å; S187-Y191 PolarHBondContact O-N 2.8Å
188N97.9Very high95.7Very high23 Ų2363.6 Ų63.612%0.12335%0.349CS..Hα-helixtrans-54.4-44.1-179.7-176.6-84000112.4V172 L173 Y179 L184 S192V172-N188 WeakPolarHBondContact CG1-ND2 3.28Å; V172-N188 PolarHBondContact O-ND2 2.87Å; L173-N188 WeakPolarHBondContact CA-OD1 3.41Å; L173-N188 WeakPolarHBondContact CD2-OD1 3.42Å; Y179-N188 PolarHBondContact O-ND2 2.94Å; L184-N188 HydrophobicContact CD1-CB 4.26Å; N188-S192 VanDerWaalsContact O-CB 3.3Å; N188-S192 WeakPolarHBondContact O-CB 3.22Å; N188-S192 PolarHBondContact O-N 2.94Å
189E97.9Very high95.4Very high141 Ų14163.9 Ų63.966%0.65935%0.354SS*.Hα-helixtrans-65.9-41.3175.8-64.3-179.5176.600112.6S187 S192 N193S187-E189 VanDerWaalsContact C-N 3.28Å; S187-E189 PolarHBondContact O-N 3.41Å; E189-S192 PolarHBondContact O-N 3.34Å; E189-N193 VanDerWaalsContact O-CG 3.32Å; E189-N193 PolarHBondContact O-N 3.4Å; E189-N193 PolarHBondContact O-ND2 2.83Å; E189-N193 VanDerWaalsContact O-ND2 3.14Å
190Q97.7Very high95Very high109 Ų10966.9 Ų66.951%0.50937%0.367SS..Hα-helixtrans-64.5-44.7177.9-76.9172.7-20.700111.3M186 S187 N193 Q194M186-Q190 HydrophobicContact CG-CB 4.32Å; M186-Q190 HydrophobicContact SD-CB 4.27Å; S187-Q190 PolarHBondContact O-N 3.18Å; S187-Q190 VanDerWaalsContact O-N 3.08Å; S187-Q190 WeakPolarHBondContact OG-CB 3.17Å; S187-Q190 WeakPolarHBondContact OG-CG 3.36Å; S187-Q190 PolarHBondContact OG-N 3.19Å; S187-Q190 VanDerWaalsContact OG-N 3.15Å; S187-Q190 PolarHBondContact OG-OE1 2.88Å; Q190-N193 PolarHBondContact O-N 3.43Å; Q190-Q194 WeakPolarHBondContact O-CG 3.35Å; Q190-Q194 PolarHBondContact O-N 3.3Å
191Y97.8Very high94.8Very high23 Ų2371.5 Ų71.59%0.0938%0.378CS..Hα-helixtrans-60.3-48.5176.4-169.2-85.6000111.4V172 L184 M186 S187 N193 Q194 I195 I205 E206V172-Y191 HydrophobicContact CG1-CD1 4.07Å; V172-Y191 HydrophobicContact CG2-CD1 4.13Å; V172-Y191 HydrophobicContact CG2-CE1 4.17Å; L184-Y191 HydrophobicContact CB-CD2 3.89Å; L184-Y191 HydrophobicContact CB-CE2 4.46Å; L184-Y191 HydrophobicContact CB-CG 4.25Å; L184-Y191 HydrophobicContact CD1-CG 4.04Å; L184-Y191 HydrophobicContact CD2-CD1 3.94Å; L184-Y191 HydrophobicContact CD2-CD2 3.85Å; L184-Y191 HydrophobicContact CD2-CE1 4.07Å; L184-Y191 HydrophobicContact CD2-CE2 3.97Å; L184-Y191 HydrophobicContact CD2-CG 3.82Å; L184-Y191 HydrophobicContact CG-CD2 4.29Å; L184-Y191 HydrophobicContact CG-CG 4.26Å; M186-Y191 HydrophobicContact CE-CD2 4.32Å; M186-Y191 HydrophobicContact CG-CD2 4.07Å; M186-Y191 HydrophobicContact CG-CG 4.49Å; M186-Y191 VanDerWaalsContact SD-CA 3.58Å; M186-Y191 HydrophobicContact SD-CD2 4.04Å; M186-Y191 HydrophobicContact SD-CG 4.49Å; S187-Y191 PolarHBondContact O-N 2.8Å; Y191-N193 VanDerWaalsContact C-N 3.26Å; Y191-N193 PolarHBondContact O-N 3.43Å; Y191-Q194 PolarHBondContact O-N 3.2Å; Y191-Q194 VanDerWaalsContact O-N 3.07Å; Y191-I195 HydrophobicContact CE1-CB 4.23Å; Y191-I195 PolarHBondContact O-N 3.42Å; Y191-I205 HydrophobicContact CE1-CG2 4.27Å; Y191-I205 HydrophobicContact CE2-CD1 3.9Å; Y191-I205 WeakPolarHBondContact OH-CB 3.43Å; Y191-I205 WeakPolarHBondContact OH-CG2 3.25Å; Y191-E206 WeakPolarHBondContact CE1-OE1 3.46Å; Y191-E206 PolarHBondContact OH-OE1 3.31Å; Y191-E206 PolarHBondContact OH-OE2 2.94Å
192S97.7Very high94.7Very high1 Ų165.9 Ų65.91%0.00736%0.355CS..Hα-helixtrans-55.1-40.8176.71680000112.4S169 L173 N188 E189 R196S169-S192 PolarHBondContact OG-O 2.99Å; S169-S192 PolarHBondContact OG-OG 3.31Å; L173-S192 VanDerWaalsContact CD1-OG 3.25Å; L173-S192 WeakPolarHBondContact CD1-OG 3.38Å; L173-S192 VanDerWaalsContact CG-OG 3.32Å; L173-S192 WeakPolarHBondContact CG-OG 3.42Å; N188-S192 VanDerWaalsContact O-CB 3.3Å; N188-S192 WeakPolarHBondContact O-CB 3.22Å; N188-S192 PolarHBondContact O-N 2.94Å; E189-S192 PolarHBondContact O-N 3.34Å; S192-R196 WeakPolarHBondContact O-CG 3.33Å; S192-R196 PolarHBondContact O-NE 3.03Å; S192-R196 VanDerWaalsContact O-NE 3.09Å; S192-R196 PolarHBondContact OG-NH2 3.08Å
193N97.5Very high94.8Very high98 Ų9862.1 Ų62.152%0.52433%0.326SS..Hα-helixtrans-71.5-38.4176.2-72-33.9000112.3E189 Q190 Y191E189-N193 VanDerWaalsContact O-CG 3.32Å; E189-N193 PolarHBondContact O-N 3.4Å; E189-N193 PolarHBondContact O-ND2 2.83Å; E189-N193 VanDerWaalsContact O-ND2 3.14Å; Q190-N193 PolarHBondContact O-N 3.43Å; Y191-N193 VanDerWaalsContact C-N 3.26Å; Y191-N193 PolarHBondContact O-N 3.43Å
194Q96.7Very high94.9Very high66 Ų6658.9 Ų58.931%0.30832%0.322SS..Hα-helixtrans-68.3-46.7179.6-73.7-16944.600112M186 Q190 Y191 R196 Q197 K200M186-Q194 HydrophobicContact SD-CG 4.45Å; M186-Q194 PolarHBondContact SD-NE2 3.27Å; Q190-Q194 WeakPolarHBondContact O-CG 3.35Å; Q190-Q194 PolarHBondContact O-N 3.3Å; Y191-Q194 PolarHBondContact O-N 3.2Å; Y191-Q194 VanDerWaalsContact O-N 3.07Å; Q194-R196 PolarHBondContact O-N 3.23Å; Q194-Q197 WeakPolarHBondContact O-CB 3.47Å; Q194-Q197 PolarHBondContact O-N 2.91Å; Q194-K200 HydrophobicContact CB-CG 4.36Å; Q194-K200 WeakPolarHBondContact O-CB 3.4Å; Q194-K200 WeakPolarHBondContact O-CG 3.17Å
195I97.1Very high95Very high5 Ų560 Ų603%0.02633%0.327CS..Hα-helixtrans-63.4-23.8-172.6-164.656.1000113.5F134 R165 I168 Y191 Q197 E206F134-I195 HydrophobicContact CZ-CD1 3.99Å; R165-I195 WeakPolarHBondContact CB-O 3.43Å; R165-I195 VanDerWaalsContact CD-O 3.3Å; R165-I195 WeakPolarHBondContact CD-O 3.33Å; R165-I195 WeakPolarHBondContact CG-O 3.28Å; R165-I195 PolarHBondContact NH1-O 2.8Å; I168-I195 HydrophobicContact CG2-CG1 4.03Å; I168-I195 HydrophobicContact CG2-CG2 4.43Å; Y191-I195 HydrophobicContact CE1-CB 4.23Å; Y191-I195 PolarHBondContact O-N 3.42Å; I195-Q197 VanDerWaalsContact C-N 3.31Å; I195-E206 HydrophobicContact CD1-CG 3.71Å; I195-E206 WeakPolarHBondContact CD1-OE1 3.49Å; I195-E206 HydrophobicContact CG1-CG 4.21Å
196R97.6Very high95.3Very high76 Ų7656.9 Ų56.929%0.28730%0.295SS..THydrogen-bonded Turntrans-69.9-22.6172.9-64.2176.3-143-118.914113.7E166 S169 S192 Q194E166-R196 WeakPolarHBondContact OE1-CD 3.44Å; E166-R196 VanDerWaalsContact OE1-CG 3.29Å; E166-R196 WeakPolarHBondContact OE1-CG 3.36Å; E166-R196 IonicContact OE2-CZ 3.7Å; E166-R196 IonicContact OE2-NH1 3.7Å; E166-R196 PolarHBondContact OE2-NH1 2.69Å; S169-R196 PolarHBondContact OG-NE 2.66Å; S169-R196 PolarHBondContact OG-NH2 3.07Å; S192-R196 WeakPolarHBondContact O-CG 3.33Å; S192-R196 PolarHBondContact O-NE 3.03Å; S192-R196 VanDerWaalsContact O-NE 3.09Å; S192-R196 PolarHBondContact OG-NH2 3.08Å; Q194-R196 PolarHBondContact O-N 3.23Å
197Q95.1Very high95.6Very high86 Ų8654.8 Ų54.840%0.40228%0.284SS..SBendtrans-75.4135-177.6-57.3176-26.200110.6R165 Q194 I195 D199 K200R165-Q197 PolarHBondContact NH1-O 2.9Å; Q194-Q197 WeakPolarHBondContact O-CB 3.47Å; Q194-Q197 PolarHBondContact O-N 2.91Å; I195-Q197 VanDerWaalsContact C-N 3.31Å; Q197-D199 VanDerWaalsContact CB-OD1 3.24Å; Q197-D199 WeakPolarHBondContact CB-OD1 3.11Å; Q197-D199 PolarHBondContact O-N 2.82Å; Q197-K200 HydrophobicContact CB-CG 3.82Å; Q197-K200 PolarHBondContact O-N 2.92Å
198S91.9Very high95.6Very high90 Ų9054.6 Ų54.663%0.62928%0.283SS*.THydrogen-bonded Turntrans-68.4-18.8-175.256.80000114.1N130N130-S198 WeakPolarHBondContact CB-O 3.49Å
199D89Confident95.6Very high90 Ų9053.5 Ų53.548%0.48128%0.277SS..THydrogen-bonded Turntrans-88.8-3177.867.2-37000113.3Q197Q197-D199 VanDerWaalsContact CB-OD1 3.24Å; Q197-D199 WeakPolarHBondContact CB-OD1 3.11Å; Q197-D199 PolarHBondContact O-N 2.82Å
200K90.1Very high95.7Very high64 Ų6446.8 Ų46.828%0.27825%0.246SC..PPolyproline II helixtrans-93.5131.7-179.9-62.5-66.2-178.5170.90111.7R165 Q194 Q197R165-K200 VanDerWaalsContact CZ-O 3.29Å; R165-K200 PolarHBondContact NH1-O 3.4Å; R165-K200 PolarHBondContact NH2-O 2.89Å; Q194-K200 HydrophobicContact CB-CG 4.36Å; Q194-K200 WeakPolarHBondContact O-CB 3.4Å; Q194-K200 WeakPolarHBondContact O-CG 3.17Å; Q197-K200 HydrophobicContact CB-CG 3.82Å; Q197-K200 PolarHBondContact O-N 2.92Å
201W91.6Very high95.7Very high141 Ų14141.7 Ų41.753%0.53422%0.222SC..PPolyproline II helixtrans-77.9144.6177.7-61.67.5000109.4N130 I248N130-W201 PolarHBondContact OD1-NE1 3.13Å; W201-I248 HydrophobicContact CH2-CB 3.79Å; W201-I248 HydrophobicContact CH2-CG2 3.97Å; W201-I248 HydrophobicContact CZ3-CB 3.9Å; W201-I248 HydrophobicContact CZ3-CG2 4Å
202G93.5Very high95.7Very high10 Ų1044.4 Ų44.410%0.10324%0.236CC..PPolyproline II helixtrans-90.7162162.600000110.7E206G202-E206 WeakPolarHBondContact CA-OE2 3.29Å
203G94.7Very high95.6Very high20 Ų2047.6 Ų47.621%0.20625%0.252CS..  trans-150.6-145.8176.500000112.1I205 E206 V207G203-I205 PolarHBondContact O-N 2.93Å; G203-E206 PolarHBondContact N-OE2 2.99Å; G203-E206 PolarHBondContact O-N 3.25Å; G203-E206 VanDerWaalsContact O-N 3.13Å; G203-V207 VanDerWaalsContact O-CG2 3.32Å; G203-V207 WeakPolarHBondContact O-CG2 3.32Å; G203-V207 PolarHBondContact O-N 2.99Å
204G94Very high95.6Very high37 Ų3746.3 Ų46.338%0.38124%0.24SC..Hα-helixtrans-57.8-31.8-175.500000114.7S208 F231G204-S208 WeakPolarHBondContact O-CB 3.31Å; G204-S208 PolarHBondContact O-N 3.2Å; G204-F231 WeakPolarHBondContact O-CE1 3.38Å
205I95.8Very high95.7Very high34 Ų3451.9 Ų51.917%0.17426%0.259CS..Hα-helixtrans-64.1-53.3175.7-64.2168.2000109.7F183 L184 Y191 G203 V207 S208 I209F183-I205 HydrophobicContact CE1-CD1 4.42Å; F183-I205 HydrophobicContact CE1-CG1 3.91Å; F183-I205 HydrophobicContact CE1-CG2 4.26Å; L184-I205 HydrophobicContact CD2-CD1 4.09Å; L184-I205 HydrophobicContact CD2-CG2 4.27Å; Y191-I205 HydrophobicContact CE1-CG2 4.27Å; Y191-I205 HydrophobicContact CE2-CD1 3.9Å; Y191-I205 WeakPolarHBondContact OH-CB 3.43Å; Y191-I205 WeakPolarHBondContact OH-CG2 3.25Å; G203-I205 PolarHBondContact O-N 2.93Å; I205-V207 PolarHBondContact O-N 3.47Å; I205-S208 PolarHBondContact O-N 3.32Å; I205-S208 PolarHBondContact O-OG 2.96Å; I205-I209 HydrophobicContact CG2-CD1 3.98Å; I205-I209 WeakPolarHBondContact O-CG1 3.32Å; I205-I209 PolarHBondContact O-N 2.8Å
206E98.3Very high95.8Very high5 Ų551.8 Ų51.82%0.02326%0.258CS..Hα-helixtrans-58.9-46.2177.4-73.756-117.700111L133 F134 I168 Y191 I195 G202 G203 S208 I209 L210L133-E206 HydrophobicContact CD2-CB 3.74Å; F134-E206 HydrophobicContact CE1-CB 4.26Å; F134-E206 HydrophobicContact CE1-CG 3.82Å; F134-E206 HydrophobicContact CZ-CG 3.89Å; I168-E206 HydrophobicContact CD1-CB 4.26Å; I168-E206 HydrophobicContact CD1-CG 4.01Å; I168-E206 HydrophobicContact CG2-CG 4.37Å; Y191-E206 WeakPolarHBondContact CE1-OE1 3.46Å; Y191-E206 PolarHBondContact OH-OE1 3.31Å; Y191-E206 PolarHBondContact OH-OE2 2.94Å; I195-E206 HydrophobicContact CD1-CG 3.71Å; I195-E206 WeakPolarHBondContact CD1-OE1 3.49Å; I195-E206 HydrophobicContact CG1-CG 4.21Å; G202-E206 WeakPolarHBondContact CA-OE2 3.29Å; G203-E206 PolarHBondContact N-OE2 2.99Å; G203-E206 PolarHBondContact O-N 3.25Å; G203-E206 VanDerWaalsContact O-N 3.13Å; E206-S208 VanDerWaalsContact C-N 3.28Å; E206-S208 PolarHBondContact O-N 2.93Å; E206-I209 PolarHBondContact O-N 3.14Å; E206-I209 VanDerWaalsContact O-N 3.12Å; E206-L210 WeakPolarHBondContact O-CB 3.38Å; E206-L210 WeakPolarHBondContact O-CG 3.35Å; E206-L210 PolarHBondContact O-N 2.71Å
207V98.4Very high95.8Very high1 Ų148.4 Ų48.41%0.00625%0.245CC..Hα-helixtrans-57.9-43178.6-179.60000110.8L133 G203 I205 I209 L210 S211 I218 I220 F231L133-V207 HydrophobicContact CD1-CG2 3.71Å; L133-V207 HydrophobicContact CD2-CG2 4.03Å; G203-V207 VanDerWaalsContact O-CG2 3.32Å; G203-V207 WeakPolarHBondContact O-CG2 3.32Å; G203-V207 PolarHBondContact O-N 2.99Å; I205-V207 PolarHBondContact O-N 3.47Å; V207-I209 VanDerWaalsContact C-N 3.35Å; V207-I209 PolarHBondContact O-N 2.75Å; V207-L210 PolarHBondContact O-N 2.81Å; V207-S211 WeakPolarHBondContact O-CB 3.41Å; V207-S211 PolarHBondContact O-N 2.75Å; V207-I218 HydrophobicContact CG1-CB 3.84Å; V207-I218 HydrophobicContact CG1-CD1 4.18Å; V207-I218 HydrophobicContact CG1-CG2 3.72Å; V207-I220 HydrophobicContact CG1-CD1 4.28Å; V207-I220 HydrophobicContact CG1-CG1 4.31Å; V207-I220 HydrophobicContact CG2-CD1 4.28Å; V207-F231 HydrophobicContact CB-CD1 4.16Å; V207-F231 HydrophobicContact CB-CD2 4.32Å; V207-F231 HydrophobicContact CB-CE1 4.2Å; V207-F231 HydrophobicContact CB-CE2 4.37Å; V207-F231 HydrophobicContact CB-CG 4.22Å; V207-F231 HydrophobicContact CB-CZ 4.31Å; V207-F231 HydrophobicContact CG1-CB 3.83Å; V207-F231 HydrophobicContact CG1-CD1 3.86Å; V207-F231 HydrophobicContact CG1-CD2 3.42Å; V207-F231 VanDerWaalsContact CG1-CD2 3.42Å; V207-F231 HydrophobicContact CG1-CE1 4.25Å; V207-F231 HydrophobicContact CG1-CE2 3.86Å; V207-F231 HydrophobicContact CG1-CG 3.42Å; V207-F231 VanDerWaalsContact CG1-CG 3.42Å; V207-F231 HydrophobicContact CG1-CZ 4.25Å
208S97.7Very high96Very high26 Ų2644.3 Ų44.318%0.18223%0.226CC..Hα-helixtrans-63.7-38.7177.680.40000112.8G204 I205 E206 Q212G204-S208 WeakPolarHBondContact O-CB 3.31Å; G204-S208 PolarHBondContact O-N 3.2Å; I205-S208 PolarHBondContact O-N 3.32Å; I205-S208 PolarHBondContact O-OG 2.96Å; E206-S208 VanDerWaalsContact C-N 3.28Å; E206-S208 PolarHBondContact O-N 2.93Å; S208-Q212 WeakPolarHBondContact O-CG 3.29Å; S208-Q212 PolarHBondContact O-N 3.12Å
209I98.1Very high96.3Very high1 Ų140 Ų401%0.00520%0.196CC..Hα-helixtrans-70.4-44.1177.9-69.2169.4000110.2I168 I171 V172 Y179 I205 E206 V207 Q212 L213I168-I209 HydrophobicContact CB-CG2 4.47Å; I168-I209 HydrophobicContact CG1-CG2 3.95Å; I168-I209 HydrophobicContact CG2-CD1 3.91Å; I168-I209 HydrophobicContact CG2-CG2 4.49Å; I171-I209 HydrophobicContact CB-CG2 4.29Å; I171-I209 HydrophobicContact CD1-CG2 3.58Å; I171-I209 HydrophobicContact CG2-CG1 4.46Å; I171-I209 HydrophobicContact CG2-CG2 4.1Å; V172-I209 HydrophobicContact CG2-CD1 3.78Å; Y179-I209 HydrophobicContact CE1-CD1 3.82Å; Y179-I209 HydrophobicContact CE1-CG1 4.01Å; Y179-I209 WeakPolarHBondContact OH-CG1 3.24Å; I205-I209 HydrophobicContact CG2-CD1 3.98Å; I205-I209 WeakPolarHBondContact O-CG1 3.32Å; I205-I209 PolarHBondContact O-N 2.8Å; E206-I209 PolarHBondContact O-N 3.14Å; E206-I209 VanDerWaalsContact O-N 3.12Å; V207-I209 VanDerWaalsContact C-N 3.35Å; V207-I209 PolarHBondContact O-N 2.75Å; I209-Q212 PolarHBondContact O-N 2.86Å; I209-L213 WeakPolarHBondContact O-CB 3.31Å; I209-L213 PolarHBondContact O-N 3.04Å
210L98.5Very high96.8Very high0 Ų036 Ų360%018%0.175CC..Hα-helixtrans-64.3-40.1179.2-69.3172.6000111.8F134 V137 L164 I168 E206 V207 Q212 L213 Y214 I218F134-L210 HydrophobicContact CD1-CD1 4.49Å; V137-L210 HydrophobicContact CB-CD1 4.4Å; V137-L210 HydrophobicContact CG1-CD1 4.34Å; V137-L210 HydrophobicContact CG2-CD1 4.05Å; L164-L210 HydrophobicContact CD1-CD2 3.45Å; L164-L210 VanDerWaalsContact CD1-CD2 3.45Å; L164-L210 HydrophobicContact CD2-CD1 4.49Å; L164-L210 HydrophobicContact CD2-CD2 3.7Å; L164-L210 HydrophobicContact CG-CD2 3.68Å; I168-L210 HydrophobicContact CD1-CD1 4.43Å; I168-L210 HydrophobicContact CD1-CD2 3.99Å; I168-L210 HydrophobicContact CD1-CG 4.14Å; I168-L210 HydrophobicContact CG1-CD2 4.35Å; E206-L210 WeakPolarHBondContact O-CB 3.38Å; E206-L210 WeakPolarHBondContact O-CG 3.35Å; E206-L210 PolarHBondContact O-N 2.71Å; V207-L210 PolarHBondContact O-N 2.81Å; L210-Q212 VanDerWaalsContact C-N 3.31Å; L210-Q212 PolarHBondContact O-N 3.14Å; L210-L213 HydrophobicContact CD2-CD2 4.42Å; L210-L213 PolarHBondContact O-N 2.9Å; L210-Y214 HydrophobicContact CB-CD2 4.49Å; L210-Y214 HydrophobicContact CD2-CD2 4.48Å; L210-Y214 HydrophobicContact CD2-CE2 4Å; L210-Y214 WeakPolarHBondContact O-CD2 3.38Å; L210-Y214 PolarHBondContact O-N 2.79Å; L210-I218 HydrophobicContact CB-CD1 3.88Å
211S98.6Very high97.1Very high2 Ų233 Ų331%0.01416%0.162CC..Hα-helixtrans-57.3-44.8172.7173.80000111.5V207 R215 I216 F231V207-S211 WeakPolarHBondContact O-CB 3.41Å; V207-S211 PolarHBondContact O-N 2.75Å; S211-R215 VanDerWaalsContact O-CA 3.27Å; S211-R215 WeakPolarHBondContact O-CA 3.36Å; S211-R215 PolarHBondContact O-N 3.44Å; S211-I216 VanDerWaalsContact CA-O 3.31Å; S211-I216 WeakPolarHBondContact CA-O 3.47Å; S211-I216 WeakPolarHBondContact CB-O 3.34Å; S211-I216 PolarHBondContact O-N 2.82Å; S211-I216 PolarHBondContact OG-O 2.79Å; S211-F231 PolarHBondContact OG-O 2.89Å
212Q97.4Very high97.3Very high80 Ų8027.2 Ų27.237%0.37414%0.141SC..Hα-helixtrans-67.4-44.6176.5-71.9166.71900112.3S208 I209 L210 R215S208-Q212 WeakPolarHBondContact O-CG 3.29Å; S208-Q212 PolarHBondContact O-N 3.12Å; I209-Q212 PolarHBondContact O-N 2.86Å; L210-Q212 VanDerWaalsContact C-N 3.31Å; L210-Q212 PolarHBondContact O-N 3.14Å; Q212-R215 PolarHBondContact O-N 3.31Å
213L96.7Very high97.1Very high67 Ų6726.8 Ų26.835%0.35114%0.137SC..Hα-helixtrans-62.3-47.3-177.7-178.964.8000112L164 L167 I171 I209 L210 R215L164-L213 HydrophobicContact CD1-CD2 3.93Å; L167-L213 HydrophobicContact CD1-CD2 4.28Å; I171-L213 HydrophobicContact CD1-CD1 4.32Å; I209-L213 WeakPolarHBondContact O-CB 3.31Å; I209-L213 PolarHBondContact O-N 3.04Å; L210-L213 HydrophobicContact CD2-CD2 4.42Å; L210-L213 PolarHBondContact O-N 2.9Å; L213-R215 VanDerWaalsContact C-N 3.34Å
214Y97.6Very high96.7Very high72 Ų7228.6 Ų28.628%0.28214%0.14SC..Hα-helixtrans-86.2-5.9178.9-69.5-63.8000113.6V137 M141 L164 L210 I216V137-Y214 HydrophobicContact CG1-CD2 4.12Å; V137-Y214 HydrophobicContact CG1-CE2 3.78Å; M141-Y214 HydrophobicContact CB-CE1 4.41Å; M141-Y214 HydrophobicContact CE-CD1 3.8Å; M141-Y214 HydrophobicContact CE-CG 3.98Å; M141-Y214 HydrophobicContact CG-CD1 4.11Å; M141-Y214 HydrophobicContact CG-CD2 4.07Å; M141-Y214 HydrophobicContact CG-CE1 4.15Å; M141-Y214 HydrophobicContact CG-CE2 4.09Å; M141-Y214 HydrophobicContact CG-CG 4.08Å; M141-Y214 HydrophobicContact SD-CD1 4.47Å; M141-Y214 HydrophobicContact SD-CG 4.21Å; L164-Y214 HydrophobicContact CD1-CE2 4.31Å; L210-Y214 HydrophobicContact CB-CD2 4.49Å; L210-Y214 HydrophobicContact CD2-CD2 4.48Å; L210-Y214 HydrophobicContact CD2-CE2 4Å; L210-Y214 WeakPolarHBondContact O-CD2 3.38Å; L210-Y214 PolarHBondContact O-N 2.79Å; Y214-I216 VanDerWaalsContact C-N 3.28Å; Y214-I216 PolarHBondContact O-N 2.9Å
215R98.1Very high96.4Very high183 Ų18329.2 Ų29.269%0.69114%0.138SC*.THydrogen-bonded Turntrans50.650-173.6-59.3-176.464.1-169.9-0.6111.8S211 Q212 L213 Y237S211-R215 VanDerWaalsContact O-CA 3.27Å; S211-R215 WeakPolarHBondContact O-CA 3.36Å; S211-R215 PolarHBondContact O-N 3.44Å; Q212-R215 PolarHBondContact O-N 3.31Å; L213-R215 VanDerWaalsContact C-N 3.34Å; R215-Y237 VanDerWaalsContact C-CD1 3.46Å; R215-Y237 HydrophobicContact CB-CD1 3.89Å; R215-Y237 HydrophobicContact CB-CE1 3.67Å; R215-Y237 HydrophobicContact CG-CE1 4.17Å; R215-Y237 WeakPolarHBondContact O-CB 3.36Å; R215-Y237 VanDerWaalsContact O-CD1 3.29Å; R215-Y237 WeakPolarHBondContact O-CD1 3.32Å; R215-Y237 VanDerWaalsContact O-CG 3.28Å
216I98.6Very high96Very high3 Ų327.7 Ų27.72%0.01513%0.131CC..  trans-134.9143.6-174.4-159.6166000110.6M141 S211 Y214 I218 Y237 K239 I241 V266M141-I216 HydrophobicContact CE-CD1 4.17Å; M141-I216 HydrophobicContact SD-CD1 3.66Å; M141-I216 HydrophobicContact SD-CG2 4.24Å; S211-I216 VanDerWaalsContact CA-O 3.31Å; S211-I216 WeakPolarHBondContact CA-O 3.47Å; S211-I216 WeakPolarHBondContact CB-O 3.34Å; S211-I216 PolarHBondContact O-N 2.82Å; S211-I216 PolarHBondContact OG-O 2.79Å; Y214-I216 VanDerWaalsContact C-N 3.28Å; Y214-I216 PolarHBondContact O-N 2.9Å; I216-I218 HydrophobicContact CG2-CD1 4.48Å; I216-I218 HydrophobicContact CG2-CG1 3.99Å; I216-Y237 WeakPolarHBondContact O-CD2 3.43Å; I216-K239 HydrophobicContact CD1-CB 4.05Å; I216-K239 HydrophobicContact CG1-CB 3.97Å; I216-K239 VanDerWaalsContact CG1-O 3.27Å; I216-K239 WeakPolarHBondContact CG1-O 3.43Å; I216-I241 HydrophobicContact CD1-CG2 3.62Å; I216-V266 HydrophobicContact CD1-CG1 4.01Å
217E98.7Very high95.7Very high4 Ų434 Ų342%0.01915%0.154CC..EExtended strand (participates in β ladder)trans-73.8129.9169.6178.9-177.4-153.200109.5R230 F231 K239 R240 I241E217-R230 IonicContact OE1-CZ 3.44Å; E217-R230 IonicContact OE1-NE 3.94Å; E217-R230 PolarHBondContact OE1-NE 2.82Å; E217-R230 IonicContact OE1-NH2 3.22Å; E217-R230 PolarHBondContact OE1-NH2 3.1Å; E217-R230 IonicContact OE2-NH2 3.15Å; E217-F231 CarbonylContact C-O 3.56Å; E217-F231 VanDerWaalsContact CA-O 3.28Å; E217-F231 WeakPolarHBondContact CA-O 3.24Å; E217-K239 PolarHBondContact N-O 3.48Å; E217-R240 HydrophobicContact CB-CB 3.82Å; E217-R240 HydrophobicContact CG-CB 4.18Å; E217-R240 CarbonylContact O-C 3.56Å; E217-R240 WeakPolarHBondContact O-CA 3.48Å; E217-R240 IonicContact OE1-NH2 2.66Å; E217-R240 IonicContact OE2-CZ 2.82Å; E217-R240 VanDerWaalsContact OE2-CZ 3.22Å; E217-R240 IonicContact OE2-NE 3.11Å; E217-R240 PolarHBondContact OE2-NE 3.41Å; E217-R240 IonicContact OE2-NH2 2.56Å; E217-R240 PolarHBondContact OE2-NH2 3.16Å; E217-I241 PolarHBondContact O-N 2.71Å
218I98.7Very high95.6Very high0 Ų035.8 Ų35.80%016%0.163CC..EExtended strand (participates in β ladder)trans-110.9113.3175-53.8-178000108V137 V207 L210 I216 I220 F231 I241 L243V137-I218 HydrophobicContact CG2-CD1 4.44Å; V207-I218 HydrophobicContact CG1-CB 3.84Å; V207-I218 HydrophobicContact CG1-CD1 4.18Å; V207-I218 HydrophobicContact CG1-CG2 3.72Å; L210-I218 HydrophobicContact CB-CD1 3.88Å; I216-I218 HydrophobicContact CG2-CD1 4.48Å; I216-I218 HydrophobicContact CG2-CG1 3.99Å; I218-I220 HydrophobicContact CG2-CD1 3.79Å; I218-F231 HydrophobicContact CB-CB 4.43Å; I218-F231 PolarHBondContact N-O 3.09Å; I218-F231 PolarHBondContact O-N 3.26Å; I218-I241 HydrophobicContact CB-CG1 4.26Å; I218-I241 HydrophobicContact CD1-CD1 4.27Å; I218-I241 HydrophobicContact CG1-CD1 4Å; I218-I241 HydrophobicContact CG1-CG1 3.9Å; I218-I241 HydrophobicContact CG2-CD1 4.16Å; I218-I241 HydrophobicContact CG2-CG1 4.08Å; I218-L243 HydrophobicContact CG2-CD1 4.32Å; I218-L243 HydrophobicContact CG2-CG 4.38Å
219C98.6Very high95.5Very high0 Ų036.7 Ų36.70%017%0.166CC..EExtended strand (participates in β ladder)trans-98.4114178-60.70000109.8I228 D229 I241 L242 L243 L275C219-I228 HydrophobicContact CB-CG2 3.78Å; C219-D229 CarbonylContact C-O 3.45Å; C219-D229 WeakPolarHBondContact CA-O 3.28Å; C219-I241 PolarHBondContact N-O 2.65Å; C219-L242 HydrophobicContact CB-CG 4.19Å; C219-L242 WeakPolarHBondContact O-CA 3.49Å; C219-L243 PolarHBondContact O-N 2.7Å; C219-L275 HydrophobicContact CB-CD2 4.15Å
220I98.5Very high95.5Very high6 Ų640.6 Ų40.63%0.03118%0.181CC..EExtended strand (participates in β ladder)trans-95.7113.8175.4-51.7-58000108.7V207 I218 I228 D229 F231 L243 Y250V207-I220 HydrophobicContact CG1-CD1 4.28Å; V207-I220 HydrophobicContact CG1-CG1 4.31Å; V207-I220 HydrophobicContact CG2-CD1 4.28Å; I218-I220 HydrophobicContact CG2-CD1 3.79Å; I220-I228 CarbonylContact O-C 3.54Å; I220-I228 WeakPolarHBondContact O-CA 3.4Å; I220-D229 HydrophobicContact CB-CB 4.28Å; I220-D229 PolarHBondContact N-O 2.65Å; I220-D229 PolarHBondContact O-N 3.18Å; I220-F231 HydrophobicContact CG1-CD2 4.16Å; I220-F231 HydrophobicContact CG1-CE2 3.9Å; I220-L243 CarbonylContact C-O 3.56Å; I220-L243 WeakPolarHBondContact CA-O 3.33Å; I220-L243 HydrophobicContact CD1-CB 3.78Å; I220-L243 HydrophobicContact CD1-CD1 3.73Å; I220-L243 HydrophobicContact CD1-CG 3.99Å; I220-Y250 HydrophobicContact CD1-CD1 4.42Å; I220-Y250 HydrophobicContact CD1-CE1 4.18Å; I220-Y250 HydrophobicContact CG2-CD1 4.48Å; I220-Y250 HydrophobicContact CG2-CE1 3.9Å
221V97.5Very high95.5Very high0 Ų042.9 Ų42.90%019%0.191CC..EExtended strand (participates in β ladder)trans-91.1107176.8-169.30000108.5I228 L243 I244 Y245 L253 A278 A282V221-I228 HydrophobicContact CG1-CG1 4.31Å; V221-I228 HydrophobicContact CG2-CD1 4.35Å; V221-I228 HydrophobicContact CG2-CG1 4.15Å; V221-I228 HydrophobicContact CG2-CG2 4.49Å; V221-L243 PolarHBondContact N-O 3Å; V221-I244 HydrophobicContact CB-CG1 4.35Å; V221-I244 CarbonylContact O-C 3.43Å; V221-I244 WeakPolarHBondContact O-CA 3.19Å; V221-I244 WeakPolarHBondContact O-CG1 3.2Å; V221-Y245 PolarHBondContact O-N 3.32Å; V221-L253 HydrophobicContact CG2-CD1 4.18Å; V221-A278 HydrophobicContact CG2-CB 3.82Å; V221-A282 HydrophobicContact CG1-CB 3.5Å; V221-A282 VanDerWaalsContact CG1-CB 3.5Å
222D94.5Very high95.4Very high21 Ų2143.5 Ų43.511%0.11220%0.197CC..EExtended strand (participates in β ladder)trans-86.4121.1-177.5-180-66000109.8E224 S225 C226 R227D222-E224 PolarHBondContact OD1-N 2.82Å; D222-E224 VanDerWaalsContact OD1-N 3.1Å; D222-S225 WeakPolarHBondContact CB-OG 3.37Å; D222-S225 WeakPolarHBondContact OD1-CB 3.43Å; D222-S225 PolarHBondContact OD1-N 3.38Å; D222-S225 PolarHBondContact OD1-OG 3.24Å; D222-C226 WeakPolarHBondContact O-CA 3.43Å; D222-C226 PolarHBondContact O-N 3.23Å; D222-R227 HydrophobicContact CB-CG 4.32Å; D222-R227 PolarHBondContact N-O 3.06Å
223I90.7Very high95.4Very high0 Ų044.7 Ų44.70%020%0.203CC..THydrogen-bonded Turntrans-68.2-43.5-176.5-62.2175.4000111.1C226 I244 Y245 D246 A282 A285 R286 A290 F291I223-C226 PolarHBondContact O-N 3.4Å; I223-I244 HydrophobicContact CD1-CD1 3.84Å; I223-I244 HydrophobicContact CD1-CG1 3.88Å; I223-I244 HydrophobicContact CG1-CD1 3.7Å; I223-I244 HydrophobicContact CG1-CG1 3.6Å; I223-Y245 WeakPolarHBondContact CG1-O 3.29Å; I223-Y245 PolarHBondContact N-O 3.2Å; I223-D246 HydrophobicContact CD1-CB 3.76Å; I223-A282 HydrophobicContact CG1-CB 4.44Å; I223-A285 HydrophobicContact CD1-CB 3.95Å; I223-A285 HydrophobicContact CG1-CB 4.29Å; I223-A285 HydrophobicContact CG2-CB 3.87Å; I223-R286 HydrophobicContact CG2-CB 3.91Å; I223-R286 WeakPolarHBondContact O-CB 3.37Å; I223-R286 WeakPolarHBondContact O-CD 3.38Å; I223-A290 WeakPolarHBondContact CD1-O 3.49Å; I223-F291 HydrophobicContact CB-CB 3.94Å; I223-F291 HydrophobicContact CG2-CB 3.69Å; I223-F291 HydrophobicContact CG2-CD1 4Å; I223-F291 HydrophobicContact CG2-CG 4.09Å
224E84.9Confident95.2Very high58 Ų5847.3 Ų47.327%0.27122%0.218SC..THydrogen-bonded Turntrans-61.7-50.2-175178.4174.7-160.400111.4D222 R286 F291D222-E224 PolarHBondContact OD1-N 2.82Å; D222-E224 VanDerWaalsContact OD1-N 3.1Å; E224-R286 WeakPolarHBondContact O-CD 3.49Å; E224-R286 PolarHBondContact O-NE 3.14Å; E224-R286 PolarHBondContact O-NH1 3.36Å; E224-R286 VanDerWaalsContact O-NH1 3.14Å; E224-F291 HydrophobicContact CB-CD2 3.65Å; E224-F291 HydrophobicContact CB-CE2 3.9Å; E224-F291 HydrophobicContact CB-CG 4.4Å; E224-F291 HydrophobicContact CG-CD2 3.96Å; E224-F291 HydrophobicContact CG-CE2 3.7Å
225S87.8Confident95.2Very high51 Ų5148.2 Ų48.236%0.35722%0.224SC..THydrogen-bonded Turntrans-89.3-13-177.165.20000113.7D222 R227D222-S225 WeakPolarHBondContact CB-OG 3.37Å; D222-S225 WeakPolarHBondContact OD1-CB 3.43Å; D222-S225 PolarHBondContact OD1-N 3.38Å; D222-S225 PolarHBondContact OD1-OG 3.24Å; S225-R227 PolarHBondContact O-N 2.98Å; S225-R227 WeakPolarHBondContact OG-CD 3.23Å; S225-R227 WeakPolarHBondContact OG-CG 3.46Å; S225-R227 PolarHBondContact OG-N 2.87Å
226C88Confident95.1Very high2 Ų246.7 Ų46.71%0.01423%0.23CC..  trans55.719-169.1-61.40000113.9T20 D222 I223 Q279 R286T20-C226 WeakPolarHBondContact O-CB 3.26Å; D222-C226 WeakPolarHBondContact O-CA 3.43Å; D222-C226 PolarHBondContact O-N 3.23Å; I223-C226 PolarHBondContact O-N 3.4Å; C226-Q279 PolarHBondContact O-NE2 3.41Å; C226-R286 WeakPolarHBondContact SG-CD 3.23Å
227R91.9Very high95Very high138 Ų13847.7 Ų47.752%0.52123%0.233SC..  trans-93161.6-179.290.4-168.2-159.4-175.60.8111D222 S225 D229D222-R227 HydrophobicContact CB-CG 4.32Å; D222-R227 PolarHBondContact N-O 3.06Å; S225-R227 PolarHBondContact O-N 2.98Å; S225-R227 WeakPolarHBondContact OG-CD 3.23Å; S225-R227 WeakPolarHBondContact OG-CG 3.46Å; S225-R227 PolarHBondContact OG-N 2.87Å; R227-D229 IonicContact CZ-OD1 2.65Å; R227-D229 VanDerWaalsContact CZ-OD1 3.22Å; R227-D229 IonicContact CZ-OD2 2.71Å; R227-D229 VanDerWaalsContact NE-CG 3.35Å; R227-D229 IonicContact NE-OD1 2.7Å; R227-D229 PolarHBondContact NE-OD1 2.77Å; R227-D229 IonicContact NE-OD2 3.76Å; R227-D229 PolarHBondContact NE-OD2 2.91Å; R227-D229 VanDerWaalsContact NH2-CG 3.27Å; R227-D229 IonicContact NH2-OD1 2.7Å; R227-D229 PolarHBondContact NH2-OD1 2.79Å; R227-D229 IonicContact NH2-OD2 3.1Å; R227-D229 PolarHBondContact NH2-OD2 2.99Å
228I96.6Very high95Very high38 Ų3851.8 Ų51.820%0.19526%0.261CS..EExtended strand (participates in β ladder)trans-115.6115.9173-54.9-178000108.7C219 I220 V221 R230 L275 Q279C219-I228 HydrophobicContact CB-CG2 3.78Å; I220-I228 CarbonylContact O-C 3.54Å; I220-I228 WeakPolarHBondContact O-CA 3.4Å; V221-I228 HydrophobicContact CG1-CG1 4.31Å; V221-I228 HydrophobicContact CG2-CD1 4.35Å; V221-I228 HydrophobicContact CG2-CG1 4.15Å; V221-I228 HydrophobicContact CG2-CG2 4.49Å; I228-R230 HydrophobicContact CG2-CG 4.06Å; I228-L275 HydrophobicContact CD1-CB 3.89Å; I228-L275 HydrophobicContact CD1-CD2 4.24Å; I228-L275 WeakPolarHBondContact CD1-O 3.28Å; I228-Q279 HydrophobicContact CD1-CB 4.37Å
229D96.7Very high94.9Very high44 Ų4455.8 Ų55.824%0.23528%0.278CS..EExtended strand (participates in β ladder)trans-89.6117.3173.4-67.3-20.3000109.7C219 I220 R227 F231C219-D229 CarbonylContact C-O 3.45Å; C219-D229 WeakPolarHBondContact CA-O 3.28Å; I220-D229 HydrophobicContact CB-CB 4.28Å; I220-D229 PolarHBondContact N-O 2.65Å; I220-D229 PolarHBondContact O-N 3.18Å; R227-D229 IonicContact CZ-OD1 2.65Å; R227-D229 VanDerWaalsContact CZ-OD1 3.22Å; R227-D229 IonicContact CZ-OD2 2.71Å; R227-D229 VanDerWaalsContact NE-CG 3.35Å; R227-D229 IonicContact NE-OD1 2.7Å; R227-D229 PolarHBondContact NE-OD1 2.77Å; R227-D229 IonicContact NE-OD2 3.76Å; R227-D229 PolarHBondContact NE-OD2 2.91Å; R227-D229 VanDerWaalsContact NH2-CG 3.27Å; R227-D229 IonicContact NH2-OD1 2.7Å; R227-D229 PolarHBondContact NH2-OD1 2.79Å; R227-D229 IonicContact NH2-OD2 3.1Å; R227-D229 PolarHBondContact NH2-OD2 2.99Å; D229-F231 HydrophobicContact CB-CE2 3.88Å
230R97.7Very high94.9Very high83 Ų8355.8 Ų55.831%0.31328%0.278SS..EExtended strand (participates in β ladder)trans-105.4108.2-172.4-56.8175.664.6-177.11.1110.6E217 I228 E233E217-R230 IonicContact OE1-CZ 3.44Å; E217-R230 IonicContact OE1-NE 3.94Å; E217-R230 PolarHBondContact OE1-NE 2.82Å; E217-R230 IonicContact OE1-NH2 3.22Å; E217-R230 PolarHBondContact OE1-NH2 3.1Å; E217-R230 IonicContact OE2-NH2 3.15Å; I228-R230 HydrophobicContact CG2-CG 4.06Å; R230-E233 HydrophobicContact CB-CB 3.96Å; R230-E233 IonicContact CZ-OE1 3.27Å; R230-E233 IonicContact CZ-OE2 3.7Å; R230-E233 IonicContact NE-OE1 3.7Å; R230-E233 IonicContact NE-OE2 2.67Å; R230-E233 VanDerWaalsContact NH1-CD 3.3Å; R230-E233 IonicContact NH1-OE1 3.92Å; R230-E233 PolarHBondContact NH1-OE1 2.74Å; R230-E233 IonicContact NH1-OE2 3.65Å; R230-E233 IonicContact NH2-OE1 2.68Å
231F98.1Very high94.9Very high48 Ų4855.5 Ų55.521%0.21128%0.277CS..EExtended strand (participates in β ladder)trans-94.3125.6176.8-65.8-102.8000109.6G204 V207 S211 E217 I218 I220 D229G204-F231 WeakPolarHBondContact O-CE1 3.38Å; V207-F231 HydrophobicContact CB-CD1 4.16Å; V207-F231 HydrophobicContact CB-CD2 4.32Å; V207-F231 HydrophobicContact CB-CE1 4.2Å; V207-F231 HydrophobicContact CB-CE2 4.37Å; V207-F231 HydrophobicContact CB-CG 4.22Å; V207-F231 HydrophobicContact CB-CZ 4.31Å; V207-F231 HydrophobicContact CG1-CB 3.83Å; V207-F231 HydrophobicContact CG1-CD1 3.86Å; V207-F231 HydrophobicContact CG1-CD2 3.42Å; V207-F231 VanDerWaalsContact CG1-CD2 3.42Å; V207-F231 HydrophobicContact CG1-CE1 4.25Å; V207-F231 HydrophobicContact CG1-CE2 3.86Å; V207-F231 HydrophobicContact CG1-CG 3.42Å; V207-F231 VanDerWaalsContact CG1-CG 3.42Å; V207-F231 HydrophobicContact CG1-CZ 4.25Å; S211-F231 PolarHBondContact OG-O 2.89Å; E217-F231 CarbonylContact C-O 3.56Å; E217-F231 VanDerWaalsContact CA-O 3.28Å; E217-F231 WeakPolarHBondContact CA-O 3.24Å; I218-F231 HydrophobicContact CB-CB 4.43Å; I218-F231 PolarHBondContact N-O 3.09Å; I218-F231 PolarHBondContact O-N 3.26Å; I220-F231 HydrophobicContact CG1-CD2 4.16Å; I220-F231 HydrophobicContact CG1-CE2 3.9Å; D229-F231 HydrophobicContact CB-CE2 3.88Å
232G97.1Very high95Very high15 Ų1555.5 Ų55.516%0.15528%0.277CS..THydrogen-bonded Turntrans83.412.3-177.300000115D234 Q235G232-D234 PolarHBondContact O-N 3.27Å; G232-Q235 WeakPolarHBondContact O-CB 3.28Å; G232-Q235 PolarHBondContact O-N 3.02Å; G232-Q235 VanDerWaalsContact O-N 3.1Å
233E95.5Very high95.2Very high105 Ų10554.5 Ų54.549%0.49127%0.271SS..G310 helixtrans-55.6-35.8177.3175.4175.8-166.300112.6R230 Q235R230-E233 HydrophobicContact CB-CB 3.96Å; R230-E233 IonicContact CZ-OE1 3.27Å; R230-E233 IonicContact CZ-OE2 3.7Å; R230-E233 IonicContact NE-OE1 3.7Å; R230-E233 IonicContact NE-OE2 2.67Å; R230-E233 VanDerWaalsContact NH1-CD 3.3Å; R230-E233 IonicContact NH1-OE1 3.92Å; R230-E233 PolarHBondContact NH1-OE1 2.74Å; R230-E233 IonicContact NH1-OE2 3.65Å; R230-E233 IonicContact NH2-OE1 2.68Å; E233-Q235 VanDerWaalsContact C-N 3.34Å
234D94.6Very high95.6Very high123 Ų12354.6 Ų54.666%0.65827%0.271SS*.G310 helixtrans-85-3.9-178.568.3-22.5000114G232G232-D234 PolarHBondContact O-N 3.27Å
235Q96.7Very high96.1Very high91 Ų9153.8 Ų53.843%0.42527%0.266SS..G310 helixtrans-89.5-2.5-176-57.6-58.1-5500113.6G232 E233 Y237G232-Q235 WeakPolarHBondContact O-CB 3.28Å; G232-Q235 PolarHBondContact O-N 3.02Å; G232-Q235 VanDerWaalsContact O-N 3.1Å; E233-Q235 VanDerWaalsContact C-N 3.34Å; Q235-Y237 HydrophobicContact CB-CD1 4.02Å; Q235-Y237 HydrophobicContact CB-CD2 3.72Å; Q235-Y237 HydrophobicContact CB-CE1 3.67Å; Q235-Y237 HydrophobicContact CB-CE2 3.4Å; Q235-Y237 HydrophobicContact CB-CG 4.03Å; Q235-Y237 HydrophobicContact CG-CD2 4.4Å; Q235-Y237 HydrophobicContact CG-CE1 4.48Å; Q235-Y237 HydrophobicContact CG-CE2 3.7Å; Q235-Y237 PolarHBondContact O-N 3.35Å
236N95.3Very high96.2Very high150 Ų15052.3 Ų52.380%0.80226%0.255SS*.THydrogen-bonded Turntrans53.536.8-175.6-60.4-58000113.2
237Y97.8Very high96.1Very high24 Ų2452.4 Ų52.49%0.09426%0.256CS..  trans-65.3137.4173.2-62.2-41.1000110.2R215 I216 Q235 K239 S269R215-Y237 VanDerWaalsContact C-CD1 3.46Å; R215-Y237 HydrophobicContact CB-CD1 3.89Å; R215-Y237 HydrophobicContact CB-CE1 3.67Å; R215-Y237 HydrophobicContact CG-CE1 4.17Å; R215-Y237 WeakPolarHBondContact O-CB 3.36Å; R215-Y237 VanDerWaalsContact O-CD1 3.29Å; R215-Y237 WeakPolarHBondContact O-CD1 3.32Å; R215-Y237 VanDerWaalsContact O-CG 3.28Å; I216-Y237 WeakPolarHBondContact O-CD2 3.43Å; Q235-Y237 HydrophobicContact CB-CD1 4.02Å; Q235-Y237 HydrophobicContact CB-CD2 3.72Å; Q235-Y237 HydrophobicContact CB-CE1 3.67Å; Q235-Y237 HydrophobicContact CB-CE2 3.4Å; Q235-Y237 HydrophobicContact CB-CG 4.03Å; Q235-Y237 HydrophobicContact CG-CD2 4.4Å; Q235-Y237 HydrophobicContact CG-CE1 4.48Å; Q235-Y237 HydrophobicContact CG-CE2 3.7Å; Q235-Y237 PolarHBondContact O-N 3.35Å; Y237-K239 PolarHBondContact O-N 3.39Å; Y237-S269 WeakPolarHBondContact O-CB 3.34Å; Y237-S269 PolarHBondContact O-OG 2.56Å
238P97.2Very high95.7Very high91 Ų9148.3 Ų48.359%0.59124%0.244SC*.SBendtrans-77.1-12.4-175.830.6-35.3000113.2S269P238-S269 VanDerWaalsContact C-OG 3.29Å; P238-S269 WeakPolarHBondContact CA-OG 3.47Å; P238-S269 PolarHBondContact O-N 3.2Å; P238-S269 PolarHBondContact O-OG 2.93Å
239K98.3Very high95.4Very high83 Ų8347.6 Ų47.636%0.36124%0.239SC..EExtended strand (participates in β ladder)trans-127.7151.6-173-63.9-178.6-175.1-170.10110.4E144 I216 E217 Y237 V266 F267E144-K239 IonicContact OE1-NZ 3.22Å; E144-K239 PolarHBondContact OE1-NZ 3.2Å; I216-K239 HydrophobicContact CD1-CB 4.05Å; I216-K239 HydrophobicContact CG1-CB 3.97Å; I216-K239 VanDerWaalsContact CG1-O 3.27Å; I216-K239 WeakPolarHBondContact CG1-O 3.43Å; E217-K239 PolarHBondContact N-O 3.48Å; Y237-K239 PolarHBondContact O-N 3.39Å; K239-V266 HydrophobicContact CB-CG1 3.83Å; K239-V266 HydrophobicContact CD-CG1 3.73Å; K239-V266 HydrophobicContact CG-CG1 4.1Å; K239-F267 CarbonylContact C-O 3.54Å; K239-F267 WeakPolarHBondContact CA-O 3.29Å
240R98.4Very high95.5Very high1 Ų146.6 Ų46.60%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-133.8152171.868.8173.850.6143.5-2.7111.9E217 L242 F267 S269 N271 D272 L275E217-R240 HydrophobicContact CB-CB 3.82Å; E217-R240 HydrophobicContact CG-CB 4.18Å; E217-R240 CarbonylContact O-C 3.56Å; E217-R240 WeakPolarHBondContact O-CA 3.48Å; E217-R240 IonicContact OE1-NH2 2.66Å; E217-R240 IonicContact OE2-CZ 2.82Å; E217-R240 VanDerWaalsContact OE2-CZ 3.22Å; E217-R240 IonicContact OE2-NE 3.11Å; E217-R240 PolarHBondContact OE2-NE 3.41Å; E217-R240 IonicContact OE2-NH2 2.56Å; E217-R240 PolarHBondContact OE2-NH2 3.16Å; R240-L242 HydrophobicContact CG-CD1 4.4Å; R240-F267 HydrophobicContact CG-CB 3.95Å; R240-F267 PolarHBondContact N-O 2.88Å; R240-F267 PolarHBondContact O-N 2.82Å; R240-S269 PolarHBondContact NH1-O 3.48Å; R240-S269 PolarHBondContact NH2-O 2.69Å; R240-N271 PolarHBondContact NH1-O 3.41Å; R240-D272 IonicContact NH1-OD1 3.93Å; R240-D272 PolarHBondContact NH1-OD1 3.36Å; R240-D272 VanDerWaalsContact NH1-OD1 3.15Å; R240-L275 VanDerWaalsContact NH1-CD1 3.33Å
241I98.8Very high95.5Very high0 Ų042.7 Ų42.70%022%0.218CC..EExtended strand (participates in β ladder)trans-117.3157.5163.658.6166.5000109.2V137 C140 M141 I216 E217 I218 C219 L243 V266V137-I241 HydrophobicContact CG1-CD1 4.26Å; V137-I241 HydrophobicContact CG2-CD1 4.28Å; C140-I241 HydrophobicContact CB-CB 4.04Å; C140-I241 HydrophobicContact CB-CD1 4.07Å; C140-I241 HydrophobicContact CB-CG2 3.67Å; M141-I241 HydrophobicContact SD-CG2 4.3Å; I216-I241 HydrophobicContact CD1-CG2 3.62Å; E217-I241 PolarHBondContact O-N 2.71Å; I218-I241 HydrophobicContact CB-CG1 4.26Å; I218-I241 HydrophobicContact CD1-CD1 4.27Å; I218-I241 HydrophobicContact CG1-CD1 4Å; I218-I241 HydrophobicContact CG1-CG1 3.9Å; I218-I241 HydrophobicContact CG2-CD1 4.16Å; I218-I241 HydrophobicContact CG2-CG1 4.08Å; C219-I241 PolarHBondContact N-O 2.65Å; I241-L243 HydrophobicContact CD1-CD2 4.48Å; I241-V266 HydrophobicContact CG2-CG2 3.88Å
242L98.8Very high95.5Very high0 Ų040.4 Ų40.40%021%0.208CC..EExtended strand (participates in β ladder)trans-120.7129.6177.4-67.787.4000109.3I121 C219 R240 L253 F267 I274 L275 A278I121-L242 HydrophobicContact CD1-CD2 3.97Å; C219-L242 HydrophobicContact CB-CG 4.19Å; C219-L242 WeakPolarHBondContact O-CA 3.49Å; R240-L242 HydrophobicContact CG-CD1 4.4Å; L242-L253 HydrophobicContact CB-CB 3.91Å; L242-L253 HydrophobicContact CB-CD1 4.09Å; L242-L253 HydrophobicContact CB-CG 4.35Å; L242-L253 PolarHBondContact O-N 3.42Å; L242-F267 HydrophobicContact CD1-CD2 3.31Å; L242-F267 HydrophobicContact CD1-CE2 3.52Å; L242-F267 HydrophobicContact CD1-CG 4.21Å; L242-I274 HydrophobicContact CD1-CG1 4.11Å; L242-I274 HydrophobicContact CD1-CG2 4Å; L242-I274 HydrophobicContact CD2-CG1 4.39Å; L242-I274 HydrophobicContact CD2-CG2 4.43Å; L242-L275 HydrophobicContact CD2-CD2 4.09Å; L242-A278 HydrophobicContact CD2-CB 3.37Å
243L98.7Very high95.6Very high0 Ų039.7 Ų39.70%020%0.2CC..EExtended strand (participates in β ladder)trans-116.2150.1167.9-49.3-174.8000108.2L133 V137 I218 C219 I220 V221 I241 Y250 D251 P252L133-L243 HydrophobicContact CD1-CD1 3.86Å; V137-L243 HydrophobicContact CG2-CD1 3.82Å; I218-L243 HydrophobicContact CG2-CD1 4.32Å; I218-L243 HydrophobicContact CG2-CG 4.38Å; C219-L243 PolarHBondContact O-N 2.7Å; I220-L243 CarbonylContact C-O 3.56Å; I220-L243 WeakPolarHBondContact CA-O 3.33Å; I220-L243 HydrophobicContact CD1-CB 3.78Å; I220-L243 HydrophobicContact CD1-CD1 3.73Å; I220-L243 HydrophobicContact CD1-CG 3.99Å; V221-L243 PolarHBondContact N-O 3Å; I241-L243 HydrophobicContact CD1-CD2 4.48Å; L243-Y250 HydrophobicContact CD1-CD1 4.47Å; L243-D251 CarbonylContact C-O 3.47Å; L243-D251 VanDerWaalsContact CA-O 3.28Å; L243-D251 WeakPolarHBondContact CA-O 3.48Å; L243-P252 HydrophobicContact CD2-CB 4.33Å
244I98.2Very high95.7Very high1 Ų134.7 Ų34.71%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-108.2138.8169.9-164.5169.3000109.3R123 V221 I223 Y250 D251 L253 L281 A282R123-I244 HydrophobicContact CB-CG2 4.36Å; R123-I244 HydrophobicContact CG-CG2 3.78Å; V221-I244 HydrophobicContact CB-CG1 4.35Å; V221-I244 CarbonylContact O-C 3.43Å; V221-I244 WeakPolarHBondContact O-CA 3.19Å; V221-I244 WeakPolarHBondContact O-CG1 3.2Å; I223-I244 HydrophobicContact CD1-CD1 3.84Å; I223-I244 HydrophobicContact CD1-CG1 3.88Å; I223-I244 HydrophobicContact CG1-CD1 3.7Å; I223-I244 HydrophobicContact CG1-CG1 3.6Å; I244-Y250 WeakPolarHBondContact O-CA 3.3Å; I244-D251 HydrophobicContact CG2-CB 3.76Å; I244-D251 PolarHBondContact N-O 3.25Å; I244-D251 PolarHBondContact O-N 3.07Å; I244-L253 HydrophobicContact CB-CD1 4.2Å; I244-L253 HydrophobicContact CB-CD2 3.8Å; I244-L253 HydrophobicContact CB-CG 4.06Å; I244-L253 HydrophobicContact CG2-CD2 3.67Å; I244-L253 HydrophobicContact CG2-CG 4.33Å; I244-L281 HydrophobicContact CD1-CD2 4.37Å; I244-L281 HydrophobicContact CD1-CG 4.36Å; I244-A282 HydrophobicContact CD1-CB 4.37Å
245Y96.5Very high95.9Very high42 Ų4230.2 Ų30.217%0.16515%0.152CC..EExtended strand (participates in β ladder)trans-124.2129.9-176.2179.8-116000110.4V221 I223 G247 H249 Y250V221-Y245 PolarHBondContact O-N 3.32Å; I223-Y245 WeakPolarHBondContact CG1-O 3.29Å; I223-Y245 PolarHBondContact N-O 3.2Å; Y245-G247 VanDerWaalsContact CE1-CA 3.41Å; Y245-G247 VanDerWaalsContact CZ-CA 3.45Å; Y245-G247 VanDerWaalsContact CZ-O 3.3Å; Y245-G247 PolarHBondContact OH-O 2.8Å; Y245-H249 WeakPolarHBondContact CA-O 3.43Å; Y245-H249 VanDerWaalsContact CD2-O 3.28Å; Y245-H249 WeakPolarHBondContact CD2-O 3.39Å; Y245-Y250 AromaticContact CD2-CD1 3.69Å; Y245-Y250 HydrophobicContact CD2-CD1 3.69Å; Y245-Y250 AromaticContact CD2-CD2 3.95Å; Y245-Y250 HydrophobicContact CD2-CD2 3.95Å; Y245-Y250 AromaticContact CD2-CE1 3.4Å; Y245-Y250 HydrophobicContact CD2-CE1 3.4Å; Y245-Y250 VanDerWaalsContact CD2-CE1 3.4Å; Y245-Y250 AromaticContact CD2-CE2 3.7Å; Y245-Y250 HydrophobicContact CD2-CE2 3.7Å; Y245-Y250 AromaticContact CD2-CG 3.95Å; Y245-Y250 HydrophobicContact CD2-CG 3.95Å; Y245-Y250 AromaticContact CD2-CZ 3.41Å; Y245-Y250 VanDerWaalsContact CD2-CZ 3.41Å; Y245-Y250 HydrophobicContact CE2-CD2 4.15Å; Y245-Y250 HydrophobicContact CE2-CE1 4.08Å; Y245-Y250 AromaticContact CE2-CE2 3.63Å; Y245-Y250 HydrophobicContact CE2-CE2 3.63Å; Y245-Y250 AromaticContact CE2-CZ 3.58Å; Y245-Y250 HydrophobicContact CG-CD1 4.19Å; Y245-Y250 AromaticContact CG-CE1 3.77Å; Y245-Y250 HydrophobicContact CG-CE1 3.77Å
246D88.9Confident95.9Very high20 Ų2028 Ų2811%0.10714%0.142CC..  trans-108.812.8-175.472.111000113.8R123 I223 I248 H249 F291 T292R123-D246 IonicContact NH2-OD2 3.12Å; R123-D246 PolarHBondContact NH2-OD2 2.79Å; R123-D246 VanDerWaalsContact NH2-OD2 3.13Å; I223-D246 HydrophobicContact CD1-CB 3.76Å; D246-I248 PolarHBondContact OD1-N 3.48Å; D246-I248 VanDerWaalsContact OD1-N 3.14Å; D246-H249 PolarHBondContact N-O 3.44Å; D246-H249 VanDerWaalsContact N-O 3.16Å; D246-H249 WeakPolarHBondContact OD1-CA 3.26Å; D246-H249 VanDerWaalsContact OD1-CB 3.29Å; D246-H249 WeakPolarHBondContact OD1-CB 3.22Å; D246-H249 PolarHBondContact OD1-N 3.46Å; D246-F291 HydrophobicContact CB-CB 4.28Å; D246-T292 PolarHBondContact O-N 3.43Å
247G86Confident95.9Very high4 Ų421.3 Ų21.34%0.04111%0.107CC..SBendtrans101.3-23.1-177.500000113.8Y245Y245-G247 VanDerWaalsContact CE1-CA 3.41Å; Y245-G247 VanDerWaalsContact CZ-CA 3.45Å; Y245-G247 VanDerWaalsContact CZ-O 3.3Å; Y245-G247 PolarHBondContact OH-O 2.8Å
248I85Confident95.7Very high52 Ų5222.8 Ų22.827%0.26712%0.12SC..SBendtrans-142.2-13176.859.8173.6000113.9W201 D246 T292 L294W201-I248 HydrophobicContact CH2-CB 3.79Å; W201-I248 HydrophobicContact CH2-CG2 3.97Å; W201-I248 HydrophobicContact CZ3-CB 3.9Å; W201-I248 HydrophobicContact CZ3-CG2 4Å; D246-I248 PolarHBondContact OD1-N 3.48Å; D246-I248 VanDerWaalsContact OD1-N 3.14Å; I248-T292 HydrophobicContact CD1-CG2 4.44Å; I248-T292 WeakPolarHBondContact CD1-OG1 3.33Å; I248-T292 HydrophobicContact CG2-CG2 4.24Å; I248-L294 HydrophobicContact CG2-CD2 4.13Å
249H90.1Very high95.5Very high22 Ų2225.3 Ų25.310%0.10213%0.128CC..  trans-134.2142.6-173.8-16368.7000112.1A126 P127 C132 Y245 D246 D251A126-H249 PolarHBondContact O-NE2 2.71Å; P127-H249 PolarHBondContact O-CE1 2.89Å; C132-H249 WeakPolarHBondContact CB-CE1 3.27Å; C132-H249 WeakPolarHBondContact CB-ND1 3.41Å; Y245-H249 WeakPolarHBondContact CA-O 3.43Å; Y245-H249 VanDerWaalsContact CD2-O 3.28Å; Y245-H249 WeakPolarHBondContact CD2-O 3.39Å; D246-H249 PolarHBondContact N-O 3.44Å; D246-H249 VanDerWaalsContact N-O 3.16Å; D246-H249 WeakPolarHBondContact OD1-CA 3.26Å; D246-H249 VanDerWaalsContact OD1-CB 3.29Å; D246-H249 WeakPolarHBondContact OD1-CB 3.22Å; D246-H249 PolarHBondContact OD1-N 3.46Å; H249-D251 IonicContact CD2-OD1 3.18Å; H249-D251 PolarHBondContact CD2-OD1 2.96Å; H249-D251 IonicContact CD2-OD2 3.37Å; H249-D251 IonicContact NE2-OD1 2.64Å; H249-D251 PolarHBondContact NE2-OD1 2.73Å
250Y97.8Very high95.2Very high23 Ų2328.3 Ų28.39%0.0914%0.137CC..EExtended strand (participates in β ladder)trans-113.5131.4176-68.7-85.6000110.7C132 L133 S136 I220 L243 I244 Y245C132-Y250 PolarHBondContact SG-N 2.87Å; L133-Y250 HydrophobicContact CB-CD2 3.77Å; L133-Y250 HydrophobicContact CB-CE2 4.19Å; L133-Y250 HydrophobicContact CB-CG 4.26Å; L133-Y250 HydrophobicContact CD1-CD1 4.23Å; L133-Y250 HydrophobicContact CD1-CD2 4.26Å; L133-Y250 HydrophobicContact CD1-CE1 4.4Å; L133-Y250 HydrophobicContact CD1-CE2 4.41Å; L133-Y250 HydrophobicContact CD1-CG 4.16Å; S136-Y250 PolarHBondContact OG-O 2.76Å; I220-Y250 HydrophobicContact CD1-CD1 4.42Å; I220-Y250 HydrophobicContact CD1-CE1 4.18Å; I220-Y250 HydrophobicContact CG2-CD1 4.48Å; I220-Y250 HydrophobicContact CG2-CE1 3.9Å; L243-Y250 HydrophobicContact CD1-CD1 4.47Å; I244-Y250 WeakPolarHBondContact O-CA 3.3Å; Y245-Y250 AromaticContact CD2-CD1 3.69Å; Y245-Y250 HydrophobicContact CD2-CD1 3.69Å; Y245-Y250 AromaticContact CD2-CD2 3.95Å; Y245-Y250 HydrophobicContact CD2-CD2 3.95Å; Y245-Y250 AromaticContact CD2-CE1 3.4Å; Y245-Y250 HydrophobicContact CD2-CE1 3.4Å; Y245-Y250 VanDerWaalsContact CD2-CE1 3.4Å; Y245-Y250 AromaticContact CD2-CE2 3.7Å; Y245-Y250 HydrophobicContact CD2-CE2 3.7Å; Y245-Y250 AromaticContact CD2-CG 3.95Å; Y245-Y250 HydrophobicContact CD2-CG 3.95Å; Y245-Y250 AromaticContact CD2-CZ 3.41Å; Y245-Y250 VanDerWaalsContact CD2-CZ 3.41Å; Y245-Y250 HydrophobicContact CE2-CD2 4.15Å; Y245-Y250 HydrophobicContact CE2-CE1 4.08Å; Y245-Y250 AromaticContact CE2-CE2 3.63Å; Y245-Y250 HydrophobicContact CE2-CE2 3.63Å; Y245-Y250 AromaticContact CE2-CZ 3.58Å; Y245-Y250 HydrophobicContact CG-CD1 4.19Å; Y245-Y250 AromaticContact CG-CE1 3.77Å; Y245-Y250 HydrophobicContact CG-CE1 3.77Å
251D98.3Very high95.1Very high1 Ų131.8 Ų31.81%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-123.1142.7173.4-72.8-41.1000111.2R123 L124 C125 A126 L243 I244 H249R123-D251 HydrophobicContact CG-CB 3.9Å; R123-D251 IonicContact CZ-OD2 3.6Å; R123-D251 IonicContact NE-OD2 3.16Å; R123-D251 PolarHBondContact NE-OD2 3.27Å; R123-D251 IonicContact NH2-OD2 3.13Å; R123-D251 PolarHBondContact NH2-OD2 3.49Å; L124-D251 WeakPolarHBondContact O-CB 3.21Å; C125-D251 WeakPolarHBondContact CA-OD1 3.17Å; A126-D251 WeakPolarHBondContact CB-OD1 3.29Å; A126-D251 PolarHBondContact N-OD1 2.68Å; L243-D251 CarbonylContact C-O 3.47Å; L243-D251 VanDerWaalsContact CA-O 3.28Å; L243-D251 WeakPolarHBondContact CA-O 3.48Å; I244-D251 HydrophobicContact CG2-CB 3.76Å; I244-D251 PolarHBondContact N-O 3.25Å; I244-D251 PolarHBondContact O-N 3.07Å; H249-D251 IonicContact CD2-OD1 3.18Å; H249-D251 PolarHBondContact CD2-OD1 2.96Å; H249-D251 IonicContact CD2-OD2 3.37Å; H249-D251 IonicContact NE2-OD1 2.64Å; H249-D251 PolarHBondContact NE2-OD1 2.73Å
252P98.6Very high95Very high0 Ų032.2 Ų32.20%016%0.159CC..EExtended strand (participates in β ladder)trans-69.3141.317129.7-32.1000110.6L124 S136 F139 C140 V154 L243L124-P252 HydrophobicContact CB-CG 4.15Å; L124-P252 PolarHBondContact N-O 2.77Å; L124-P252 VanDerWaalsContact N-O 3.07Å; L124-P252 VanDerWaalsContact O-CD 3.25Å; L124-P252 WeakPolarHBondContact O-CD 3.48Å; S136-P252 WeakPolarHBondContact OG-CD 3.29Å; F139-P252 HydrophobicContact CB-CG 4.26Å; F139-P252 HydrophobicContact CD1-CB 3.92Å; F139-P252 HydrophobicContact CD1-CG 3.72Å; F139-P252 HydrophobicContact CE1-CG 4.36Å; F139-P252 HydrophobicContact CG-CG 4.09Å; C140-P252 WeakPolarHBondContact SG-CB 3.27Å; V154-P252 HydrophobicContact CG1-CG 4.45Å; V154-P252 HydrophobicContact CG2-CG 3.83Å; L243-P252 HydrophobicContact CD2-CB 4.33Å
253L98.5Very high94.9Very high0 Ų032.2 Ų32.20%016%0.159CC..EExtended strand (participates in β ladder)trans-97.2137.2165.3-60.6-172.4000109.5I121 V122 R123 V221 L242 I244 A278 L281I121-L253 HydrophobicContact CD1-CB 3.95Å; I121-L253 HydrophobicContact CD1-CD1 4.12Å; I121-L253 HydrophobicContact CG1-CB 4.22Å; V122-L253 WeakPolarHBondContact O-CA 3.33Å; R123-L253 HydrophobicContact CB-CD2 3.93Å; V221-L253 HydrophobicContact CG2-CD1 4.18Å; L242-L253 HydrophobicContact CB-CB 3.91Å; L242-L253 HydrophobicContact CB-CD1 4.09Å; L242-L253 HydrophobicContact CB-CG 4.35Å; L242-L253 PolarHBondContact O-N 3.42Å; I244-L253 HydrophobicContact CB-CD1 4.2Å; I244-L253 HydrophobicContact CB-CD2 3.8Å; I244-L253 HydrophobicContact CB-CG 4.06Å; I244-L253 HydrophobicContact CG2-CD2 3.67Å; I244-L253 HydrophobicContact CG2-CG 4.33Å; L253-A278 HydrophobicContact CD1-CB 3.74Å; L253-L281 HydrophobicContact CD1-CD2 4.37Å; L253-L281 HydrophobicContact CD2-CD2 3.6Å
254A98.2Very high94.9Very high0 Ų032.9 Ų32.90%016%0.162CC..EExtended strand (participates in β ladder)trans-132.9150.2175.400000110I121 V122 L124 L263 V264 T265I121-A254 CarbonylContact C-O 3.53Å; I121-A254 VanDerWaalsContact CA-O 3.32Å; I121-A254 WeakPolarHBondContact CA-O 3.47Å; I121-A254 WeakPolarHBondContact CG1-O 3.43Å; V122-A254 WeakPolarHBondContact CG2-O 3.46Å; V122-A254 PolarHBondContact N-O 2.75Å; V122-A254 PolarHBondContact O-N 3.5Å; V122-A254 VanDerWaalsContact O-N 3.08Å; L124-A254 HydrophobicContact CD1-CB 3.7Å; L124-A254 HydrophobicContact CG-CB 4.38Å; A254-L263 HydrophobicContact CB-CB 4.2Å; A254-L263 HydrophobicContact CB-CD2 4.09Å; A254-V264 CarbonylContact C-O 3.48Å; A254-V264 VanDerWaalsContact CA-O 3.29Å; A254-V264 WeakPolarHBondContact CA-O 3.43Å; A254-T265 HydrophobicContact CB-CG2 3.8Å
255Q97.6Very high94.9Very high30 Ų3032.8 Ų32.814%0.1416%0.162CC..EExtended strand (participates in β ladder)trans-90.1119.3167.1-176.7178.428.900109S119 H120 C257 V264 F267 I274S119-Q255 PolarHBondContact OG-NE2 3.05Å; S119-Q255 VanDerWaalsContact OG-NE2 3.14Å; H120-Q255 WeakPolarHBondContact O-CA 3.42Å; Q255-C257 PolarHBondContact O-N 3.01Å; Q255-V264 HydrophobicContact CB-CB 4.29Å; Q255-V264 PolarHBondContact N-O 3.22Å; Q255-V264 PolarHBondContact O-N 2.67Å; Q255-F267 HydrophobicContact CB-CE1 3.74Å; Q255-F267 HydrophobicContact CB-CZ 4.01Å; Q255-I274 HydrophobicContact CB-CD1 4.43Å
256E96.9Very high95Very high43 Ų4331.7 Ų31.720%0.20116%0.159CC..EExtended strand (participates in β ladder)trans-71.3128.7170.3-68.2-167.7165.500109.3S119 H120 V122 I150 P258 L263S119-E256 WeakPolarHBondContact CA-O 3.5Å; S119-E256 WeakPolarHBondContact CB-O 3.43Å; H120-E256 IonicContact CE1-OE2 3.43Å; H120-E256 PolarHBondContact O-N 3.15Å; V122-E256 HydrophobicContact CB-CG 4.45Å; V122-E256 HydrophobicContact CG1-CG 3.86Å; V122-E256 HydrophobicContact CG2-CG 3.7Å; I150-E256 HydrophobicContact CD1-CB 4.03Å; I150-E256 HydrophobicContact CD1-CG 4.5Å; I150-E256 HydrophobicContact CG1-CB 4.27Å; I150-E256 HydrophobicContact CG1-CG 4.29Å; I150-E256 HydrophobicContact CG2-CG 4.4Å; E256-P258 WeakPolarHBondContact O-CD 3.32Å; E256-L263 HydrophobicContact CG-CD2 3.84Å
257C95.6Very high95.4Very high10 Ų1031.2 Ų31.27%0.06816%0.156CC..EExtended strand (participates in β ladder)trans-11682.1175.6-69.60000109.7Q255 N259 R260 D261 C262Q255-C257 PolarHBondContact O-N 3.01Å; C257-N259 VanDerWaalsContact C-N 3.26Å; C257-N259 PolarHBondContact O-N 2.77Å; C257-R260 HydrophobicContact CB-CB 4.3Å; C257-R260 CarbonylContact O-C 3.47Å; C257-R260 PolarHBondContact O-N 3.09Å; C257-R260 PolarHBondContact SG-NH2 2.82Å; C257-D261 PolarHBondContact O-N 2.58Å; C257-C262 PolarHBondContact N-O 3.03Å; C257-C262 PolarHBondContact O-N 2.67Å
258P93.6Very high96Very high56 Ų5633.8 Ų33.836%0.36417%0.174SC..G310 helixtrans-63.2-31.4-171.6-14.625.3000113.1S117 I150 E256 R260 D261S117-P258 VanDerWaalsContact OG-CB 3.26Å; S117-P258 WeakPolarHBondContact OG-CB 3.46Å; I150-P258 HydrophobicContact CD1-CB 4.23Å; I150-P258 HydrophobicContact CD1-CG 4.28Å; E256-P258 WeakPolarHBondContact O-CD 3.32Å; P258-R260 PolarHBondContact O-N 3.2Å; P258-D261 PolarHBondContact O-N 2.86Å
259N92.6Very high96.5Very high143 Ų14332.3 Ų32.377%0.76517%0.168SC*.G310 helixtrans-59.2-28.1172.6-71.6-26.1000114.2S117 C257S117-N259 WeakPolarHBondContact CB-OD1 3.14Å; S117-N259 VanDerWaalsContact OG-CG 3.26Å; S117-N259 PolarHBondContact OG-N 3.46Å; S117-N259 VanDerWaalsContact OG-N 3.17Å; S117-N259 PolarHBondContact OG-OD1 3.46Å; C257-N259 VanDerWaalsContact C-N 3.26Å; C257-N259 PolarHBondContact O-N 2.77Å
260R92.8Very high96.8Very high147 Ų14737.8 Ų37.856%0.55520%0.198SC*.G310 helixtrans-107.1-5.9178.8-66.7-173.1-67.7175.3-0.6112.8C257 P258 C262C257-R260 HydrophobicContact CB-CB 4.3Å; C257-R260 CarbonylContact O-C 3.47Å; C257-R260 PolarHBondContact O-N 3.09Å; C257-R260 PolarHBondContact SG-NH2 2.82Å; P258-R260 PolarHBondContact O-N 3.2Å; R260-C262 VanDerWaalsContact C-N 3.3Å; R260-C262 VanDerWaalsContact CB-SG 3.6Å; R260-C262 PolarHBondContact O-N 3.06Å
261D95.3Very high96.5Very high74 Ų7438.9 Ų38.940%0.39621%0.206SC..THydrogen-bonded Turntrans44.957.1-169.8176.740.8000110.7K149 C257 P258K149-D261 WeakPolarHBondContact CD-O 3.47Å; K149-D261 WeakPolarHBondContact CD-OD2 3.46Å; K149-D261 WeakPolarHBondContact CE-OD2 3.17Å; K149-D261 PolarHBondContact NZ-O 3.1Å; K149-D261 IonicContact NZ-OD2 3.62Å; K149-D261 PolarHBondContact NZ-OD2 3.29Å; C257-D261 PolarHBondContact O-N 2.58Å; P258-D261 PolarHBondContact O-N 2.86Å
262C96.8Very high96.3Very high9 Ų943.6 Ų43.66%0.06123%0.231CC..EExtended strand (participates in β ladder)trans-146.5160.4177.169.90000112.3N146 L148 C257 R260N146-C262 WeakPolarHBondContact O-CB 3.41Å; L148-C262 CarbonylContact O-C 3.58Å; L148-C262 VanDerWaalsContact O-CA 3.23Å; L148-C262 WeakPolarHBondContact O-CA 3.34Å; C257-C262 PolarHBondContact N-O 3.03Å; C257-C262 PolarHBondContact O-N 2.67Å; R260-C262 VanDerWaalsContact C-N 3.3Å; R260-C262 VanDerWaalsContact CB-SG 3.6Å; R260-C262 PolarHBondContact O-N 3.06Å
263L97.7Very high96.1Very high0 Ų047 Ų470%025%0.254CS..EExtended strand (participates in β ladder)trans-96.4133.7169-64.5172.4000109L124 F139 N143 L148 K149 I150 A254 E256L124-L263 HydrophobicContact CD1-CD1 3.98Å; F139-L263 HydrophobicContact CZ-CD1 4.13Å; N143-L263 PolarHBondContact ND2-O 3.16Å; L148-L263 HydrophobicContact CB-CD1 4.36Å; L148-L263 PolarHBondContact O-N 3.36Å; K149-L263 WeakPolarHBondContact O-CD1 3.29Å; I150-L263 HydrophobicContact CG1-CD2 4.29Å; A254-L263 HydrophobicContact CB-CB 4.2Å; A254-L263 HydrophobicContact CB-CD2 4.09Å; E256-L263 HydrophobicContact CG-CD2 3.84Å
264V97.8Very high95.9Very high13 Ų1347 Ų478%0.07926%0.255CS..EExtended strand (participates in β ladder)trans-105.8117.8168.5179.20000108.3N146 A254 Q255 F267N146-V264 WeakPolarHBondContact OD1-CA 3.44Å; N146-V264 WeakPolarHBondContact OD1-CG2 3.3Å; A254-V264 CarbonylContact C-O 3.48Å; A254-V264 VanDerWaalsContact CA-O 3.29Å; A254-V264 WeakPolarHBondContact CA-O 3.43Å; Q255-V264 HydrophobicContact CB-CB 4.29Å; Q255-V264 PolarHBondContact N-O 3.22Å; Q255-V264 PolarHBondContact O-N 2.67Å; V264-F267 HydrophobicContact CB-CE1 4.34Å; V264-F267 HydrophobicContact CG1-CD1 4.06Å; V264-F267 HydrophobicContact CG1-CE1 3.82Å; V264-F267 HydrophobicContact CG1-CZ 4.41Å; V264-F267 WeakPolarHBondContact O-CZ 3.29Å
265T98.4Very high95.8Very high0 Ų048 Ų480%026%0.26CS..  trans-110.9-23.2-178.646.60000112.9F139 C140 N143 A254 F267F139-T265 HydrophobicContact CD1-CG2 4.1Å; F139-T265 HydrophobicContact CE1-CG2 3.87Å; C140-T265 PolarHBondContact O-OG1 2.91Å; N143-T265 HydrophobicContact CB-CG2 4.39Å; N143-T265 WeakPolarHBondContact CB-OG1 3.35Å; N143-T265 PolarHBondContact ND2-OG1 3.01Å; N143-T265 VanDerWaalsContact ND2-OG1 3.14Å; N143-T265 PolarHBondContact O-OG1 2.85Å; A254-T265 HydrophobicContact CB-CG2 3.8Å; T265-F267 WeakPolarHBondContact O-CD2 3.35Å; T265-F267 VanDerWaalsContact O-CE2 3.3Å; T265-F267 WeakPolarHBondContact O-CE2 3.35Å
266V98.4Very high95.5Very high18 Ų1849 Ų4911%0.10926%0.264CS..EExtended strand (participates in β ladder)trans-110.4119-179.9-177.40000109.1C140 E144 I216 K239 I241C140-V266 WeakPolarHBondContact O-CG2 3.12Å; E144-V266 HydrophobicContact CB-CG2 4.09Å; E144-V266 HydrophobicContact CG-CG1 4.46Å; E144-V266 HydrophobicContact CG-CG2 4.27Å; I216-V266 HydrophobicContact CD1-CG1 4.01Å; K239-V266 HydrophobicContact CB-CG1 3.83Å; K239-V266 HydrophobicContact CD-CG1 3.73Å; K239-V266 HydrophobicContact CG-CG1 4.1Å; I241-V266 HydrophobicContact CG2-CG2 3.88Å
267F98Very high95.4Very high10 Ų1049.5 Ų49.54%0.04427%0.266CS..EExtended strand (participates in β ladder)trans-111.8160-174.6-53-86.9000110.8K239 R240 L242 Q255 V264 T265 I274K239-F267 CarbonylContact C-O 3.54Å; K239-F267 WeakPolarHBondContact CA-O 3.29Å; R240-F267 HydrophobicContact CG-CB 3.95Å; R240-F267 PolarHBondContact N-O 2.88Å; R240-F267 PolarHBondContact O-N 2.82Å; L242-F267 HydrophobicContact CD1-CD2 3.31Å; L242-F267 HydrophobicContact CD1-CE2 3.52Å; L242-F267 HydrophobicContact CD1-CG 4.21Å; Q255-F267 HydrophobicContact CB-CE1 3.74Å; Q255-F267 HydrophobicContact CB-CZ 4.01Å; V264-F267 HydrophobicContact CB-CE1 4.34Å; V264-F267 HydrophobicContact CG1-CD1 4.06Å; V264-F267 HydrophobicContact CG1-CE1 3.82Å; V264-F267 HydrophobicContact CG1-CZ 4.41Å; V264-F267 WeakPolarHBondContact O-CZ 3.29Å; T265-F267 WeakPolarHBondContact O-CD2 3.35Å; T265-F267 VanDerWaalsContact O-CE2 3.3Å; T265-F267 WeakPolarHBondContact O-CE2 3.35Å; F267-I274 HydrophobicContact CB-CG2 4.42Å; F267-I274 HydrophobicContact CD1-CB 4.43Å; F267-I274 HydrophobicContact CD1-CD1 4.02Å; F267-I274 HydrophobicContact CD1-CG1 3.75Å; F267-I274 HydrophobicContact CD2-CG1 4.25Å; F267-I274 HydrophobicContact CE1-CD1 3.53Å; F267-I274 HydrophobicContact CE1-CG1 3.66Å; F267-I274 HydrophobicContact CE2-CG1 4.17Å; F267-I274 HydrophobicContact CG-CG1 4.04Å; F267-I274 HydrophobicContact CG-CG2 4.36Å; F267-I274 HydrophobicContact CZ-CD1 3.89Å; F267-I274 HydrophobicContact CZ-CG1 3.87Å
268S97.5Very high95.4Very high58 Ų5849 Ų4941%0.40626%0.263SS..EExtended strand (participates in β ladder)trans-63.4138.7165.5174.60000110N270 N271S268-N270 PolarHBondContact O-N 2.87Å; S268-N270 PolarHBondContact OG-N 2.98Å; S268-N271 VanDerWaalsContact O-CB 3.3Å; S268-N271 WeakPolarHBondContact O-CB 3.39Å; S268-N271 PolarHBondContact O-N 3.16Å
269S96.4Very high95.4Very high21 Ų2147.1 Ų47.115%0.14725%0.249CC..THydrogen-bonded Turntrans-67.7-9.4172.756.20000113.6Y237 P238 R240Y237-S269 WeakPolarHBondContact O-CB 3.34Å; Y237-S269 PolarHBondContact O-OG 2.56Å; P238-S269 VanDerWaalsContact C-OG 3.29Å; P238-S269 WeakPolarHBondContact CA-OG 3.47Å; P238-S269 PolarHBondContact O-N 3.2Å; P238-S269 PolarHBondContact O-OG 2.93Å; R240-S269 PolarHBondContact NH1-O 3.48Å; R240-S269 PolarHBondContact NH2-O 2.69Å
270N95.2Very high95.4Very high138 Ų13843.8 Ų43.874%0.73823%0.229SC*.THydrogen-bonded Turntrans-92-1.4171.3-62.4-45.2000113.1S268 D272S268-N270 PolarHBondContact O-N 2.87Å; S268-N270 PolarHBondContact OG-N 2.98Å; N270-D272 PolarHBondContact O-N 2.83Å
271N93.1Very high95.4Very high45 Ų4538.8 Ų38.824%0.24121%0.213CC..  trans-84.189.9176.1-176-10.1000108.8R240 S268 S273 I274R240-N271 PolarHBondContact NH1-O 3.41Å; S268-N271 VanDerWaalsContact O-CB 3.3Å; S268-N271 WeakPolarHBondContact O-CB 3.39Å; S268-N271 PolarHBondContact O-N 3.16Å; N271-S273 PolarHBondContact OD1-N 3.46Å; N271-S273 PolarHBondContact OD1-OG 2.92Å; N271-I274 HydrophobicContact CB-CG2 4.34Å; N271-I274 WeakPolarHBondContact O-CG2 3.29Å; N271-I274 PolarHBondContact OD1-N 3.27Å; N271-I274 VanDerWaalsContact OD1-N 3.08Å
272D92.9Very high95.2Very high101 Ų10135.2 Ų35.254%0.5419%0.194SC..  trans-83.1-18.9177.3-69.9-20.6000112.8R240 N270 I274 L275 F276R240-D272 IonicContact NH1-OD1 3.93Å; R240-D272 PolarHBondContact NH1-OD1 3.36Å; R240-D272 VanDerWaalsContact NH1-OD1 3.15Å; N270-D272 PolarHBondContact O-N 2.83Å; D272-I274 VanDerWaalsContact C-N 3.26Å; D272-I274 PolarHBondContact O-N 3.49Å; D272-L275 WeakPolarHBondContact O-CB 3.26Å; D272-L275 PolarHBondContact O-N 3.02Å; D272-F276 PolarHBondContact O-N 2.79Å
273S94.2Very high94.9Very high70 Ų7036 Ų3649%0.4920%0.199SC..Hα-helixtrans-65.5-31.9175.462.30000111.9N271 L275 F276 E277N271-S273 PolarHBondContact OD1-N 3.46Å; N271-S273 PolarHBondContact OD1-OG 2.92Å; S273-L275 VanDerWaalsContact C-N 3.29Å; S273-L275 PolarHBondContact O-N 3.19Å; S273-F276 WeakPolarHBondContact O-CB 3.25Å; S273-F276 PolarHBondContact O-N 3.32Å; S273-E277 PolarHBondContact O-N 2.65Å
274I95Very high94.5Very high1 Ų142 Ų421%0.00523%0.225CC..Hα-helixtrans-65.1-33.4175.4-158.364.9000112.5I121 L242 Q255 F267 N271 D272 F276 E277 A278I121-I274 HydrophobicContact CB-CD1 4.37Å; I121-I274 HydrophobicContact CD1-CD1 3.65Å; I121-I274 HydrophobicContact CD1-CG1 3.76Å; I121-I274 HydrophobicContact CG1-CD1 3.93Å; L242-I274 HydrophobicContact CD1-CG1 4.11Å; L242-I274 HydrophobicContact CD1-CG2 4Å; L242-I274 HydrophobicContact CD2-CG1 4.39Å; L242-I274 HydrophobicContact CD2-CG2 4.43Å; Q255-I274 HydrophobicContact CB-CD1 4.43Å; F267-I274 HydrophobicContact CB-CG2 4.42Å; F267-I274 HydrophobicContact CD1-CB 4.43Å; F267-I274 HydrophobicContact CD1-CD1 4.02Å; F267-I274 HydrophobicContact CD1-CG1 3.75Å; F267-I274 HydrophobicContact CD2-CG1 4.25Å; F267-I274 HydrophobicContact CE1-CD1 3.53Å; F267-I274 HydrophobicContact CE1-CG1 3.66Å; F267-I274 HydrophobicContact CE2-CG1 4.17Å; F267-I274 HydrophobicContact CG-CG1 4.04Å; F267-I274 HydrophobicContact CG-CG2 4.36Å; F267-I274 HydrophobicContact CZ-CD1 3.89Å; F267-I274 HydrophobicContact CZ-CG1 3.87Å; N271-I274 HydrophobicContact CB-CG2 4.34Å; N271-I274 WeakPolarHBondContact O-CG2 3.29Å; N271-I274 PolarHBondContact OD1-N 3.27Å; N271-I274 VanDerWaalsContact OD1-N 3.08Å; D272-I274 VanDerWaalsContact C-N 3.26Å; D272-I274 PolarHBondContact O-N 3.49Å; I274-F276 VanDerWaalsContact C-N 3.32Å; I274-E277 PolarHBondContact O-N 2.96Å; I274-A278 WeakPolarHBondContact O-CB 3.46Å; I274-A278 PolarHBondContact O-N 3.05Å
275L96Very high93.9Very high21 Ų2141.9 Ų41.911%0.1123%0.226CC..Hα-helixtrans-67.1-39.2176.1-62.2-178000110.3C219 I228 R240 L242 D272 S273 A278 Q279C219-L275 HydrophobicContact CB-CD2 4.15Å; I228-L275 HydrophobicContact CD1-CB 3.89Å; I228-L275 HydrophobicContact CD1-CD2 4.24Å; I228-L275 WeakPolarHBondContact CD1-O 3.28Å; R240-L275 VanDerWaalsContact NH1-CD1 3.33Å; L242-L275 HydrophobicContact CD2-CD2 4.09Å; D272-L275 WeakPolarHBondContact O-CB 3.26Å; D272-L275 PolarHBondContact O-N 3.02Å; S273-L275 VanDerWaalsContact C-N 3.29Å; S273-L275 PolarHBondContact O-N 3.19Å; L275-A278 PolarHBondContact O-N 3.33Å; L275-Q279 WeakPolarHBondContact O-CB 3.34Å; L275-Q279 PolarHBondContact O-N 3.39Å
276F91.6Very high93.2Very high52 Ų5246.9 Ų46.923%0.22825%0.245CC..Hα-helixtrans-64.4-47.3175.4174.1-133.4000112.4Y23 L44 D272 S273 I274 A278 Q279 Q280Y23-F276 HydrophobicContact CD1-CD2 4.05Å; Y23-F276 HydrophobicContact CD1-CE2 4.25Å; Y23-F276 HydrophobicContact CE1-CB 4.38Å; Y23-F276 AromaticContact CE1-CD2 3.04Å; Y23-F276 HydrophobicContact CE1-CD2 3.04Å; Y23-F276 AromaticContact CE1-CE2 3.35Å; Y23-F276 HydrophobicContact CE1-CE2 3.35Å; Y23-F276 AromaticContact CE1-CG 3.96Å; Y23-F276 HydrophobicContact CE1-CG 3.96Å; Y23-F276 AromaticContact CZ-CD2 3.51Å; Y23-F276 AromaticContact CZ-CE2 3.48Å; Y23-F276 VanDerWaalsContact CZ-CE2 3.48Å; Y23-F276 VanDerWaalsContact OH-CD2 3.28Å; Y23-F276 WeakPolarHBondContact OH-CD2 3.44Å; Y23-F276 VanDerWaalsContact OH-CE2 3.26Å; Y23-F276 WeakPolarHBondContact OH-CE2 3.22Å; L44-F276 HydrophobicContact CD1-CE1 4.22Å; L44-F276 HydrophobicContact CD1-CE2 4.31Å; L44-F276 HydrophobicContact CD1-CZ 3.9Å; L44-F276 HydrophobicContact CG-CZ 4.29Å; L44-F276 VanDerWaalsContact O-CZ 3.29Å; L44-F276 WeakPolarHBondContact O-CZ 3.43Å; D272-F276 PolarHBondContact O-N 2.79Å; S273-F276 WeakPolarHBondContact O-CB 3.25Å; S273-F276 PolarHBondContact O-N 3.32Å; I274-F276 VanDerWaalsContact C-N 3.32Å; F276-A278 VanDerWaalsContact C-N 3.25Å; F276-A278 PolarHBondContact O-N 3.14Å; F276-Q279 PolarHBondContact O-N 3.08Å; F276-Q280 HydrophobicContact CD2-CG 4.03Å; F276-Q280 HydrophobicContact CE2-CG 3.73Å; F276-Q280 HydrophobicContact CZ-CG 4.08Å; F276-Q280 WeakPolarHBondContact O-CG 3.06Å; F276-Q280 PolarHBondContact O-N 2.85Å
277E94.2Very high92.2Very high52 Ų5249.8 Ų49.824%0.24327%0.271CS..Hα-helixtrans-57.1-41.9175.3-73.5-178.5-13100111.6I121 S273 I274 Q280 L281I121-E277 HydrophobicContact CB-CB 4.27Å; I121-E277 HydrophobicContact CG2-CB 4.12Å; I121-E277 PolarHBondContact N-OE2 2.73Å; S273-E277 PolarHBondContact O-N 2.65Å; I274-E277 PolarHBondContact O-N 2.96Å; E277-Q280 WeakPolarHBondContact O-CB 3.24Å; E277-Q280 PolarHBondContact O-N 2.92Å; E277-L281 PolarHBondContact O-N 3.36Å
278A95.8Very high91.3Very high0 Ų056.5 Ų56.50%030%0.303CS..Hα-helixtrans-67.7-39.6178.700000112.8I121 V221 L242 L253 I274 L275 F276 Q280 L281 A282I121-A278 HydrophobicContact CD1-CB 3.9Å; V221-A278 HydrophobicContact CG2-CB 3.82Å; L242-A278 HydrophobicContact CD2-CB 3.37Å; L253-A278 HydrophobicContact CD1-CB 3.74Å; I274-A278 WeakPolarHBondContact O-CB 3.46Å; I274-A278 PolarHBondContact O-N 3.05Å; L275-A278 PolarHBondContact O-N 3.33Å; F276-A278 VanDerWaalsContact C-N 3.25Å; F276-A278 PolarHBondContact O-N 3.14Å; A278-Q280 VanDerWaalsContact C-N 3.32Å; A278-Q280 PolarHBondContact O-N 3.15Å; A278-L281 WeakPolarHBondContact O-CB 3.37Å; A278-L281 PolarHBondContact O-N 3Å; A278-A282 PolarHBondContact O-N 3.46Å
279Q93.7Very high89.9Confident16 Ų1663.3 Ų63.38%0.07532%0.319CS..Hα-helixtrans-64.9-35.9173.9-174.9162.757.500112.3T20 G21 Y23 C226 I228 L275 F276 A282 S283T20-Q279 VanDerWaalsContact O-CG 3.23Å; T20-Q279 WeakPolarHBondContact O-CG 3.46Å; T20-Q279 PolarHBondContact O-NE2 3.35Å; T20-Q279 VanDerWaalsContact O-NE2 3.14Å; G21-Q279 VanDerWaalsContact CA-NE2 3.33Å; Y23-Q279 PolarHBondContact OH-OE1 3.26Å; C226-Q279 PolarHBondContact O-NE2 3.41Å; I228-Q279 HydrophobicContact CD1-CB 4.37Å; L275-Q279 WeakPolarHBondContact O-CB 3.34Å; L275-Q279 PolarHBondContact O-N 3.39Å; F276-Q279 PolarHBondContact O-N 3.08Å; Q279-A282 PolarHBondContact O-N 2.94Å; Q279-S283 WeakPolarHBondContact O-CB 3.27Å; Q279-S283 PolarHBondContact O-N 2.74Å; Q279-S283 PolarHBondContact O-OG 3.22Å
280Q92.4Very high88.4Confident73 Ų7364.3 Ų64.334%0.34133%0.329SS..Hα-helixtrans-65.1-39.8171.9-72.7-174.67800111.9F276 E277 A278 S283 K284F276-Q280 HydrophobicContact CD2-CG 4.03Å; F276-Q280 HydrophobicContact CE2-CG 3.73Å; F276-Q280 HydrophobicContact CZ-CG 4.08Å; F276-Q280 WeakPolarHBondContact O-CG 3.06Å; F276-Q280 PolarHBondContact O-N 2.85Å; E277-Q280 WeakPolarHBondContact O-CB 3.24Å; E277-Q280 PolarHBondContact O-N 2.92Å; A278-Q280 VanDerWaalsContact C-N 3.32Å; A278-Q280 PolarHBondContact O-N 3.15Å; Q280-S283 PolarHBondContact O-N 3.31Å; Q280-K284 WeakPolarHBondContact O-CG 3.44Å; Q280-K284 PolarHBondContact O-N 2.97Å
281L92.9Very high86.4Confident42 Ų4259.3 Ų59.322%0.2230%0.3CS..Hα-helixtrans-61.2-45.9174.8-175.966000111.3I121 R123 I244 L253 E277 A278 S283 K284 A285I121-L281 HydrophobicContact CG2-CB 4.25Å; I121-L281 HydrophobicContact CG2-CD2 3.97Å; R123-L281 HydrophobicContact CB-CD2 4.09Å; I244-L281 HydrophobicContact CD1-CD2 4.37Å; I244-L281 HydrophobicContact CD1-CG 4.36Å; L253-L281 HydrophobicContact CD1-CD2 4.37Å; L253-L281 HydrophobicContact CD2-CD2 3.6Å; E277-L281 PolarHBondContact O-N 3.36Å; A278-L281 WeakPolarHBondContact O-CB 3.37Å; A278-L281 PolarHBondContact O-N 3Å; L281-S283 PolarHBondContact O-N 3.06Å; L281-K284 PolarHBondContact O-N 2.82Å; L281-A285 WeakPolarHBondContact O-CB 3.43Å; L281-A285 PolarHBondContact O-N 3.46Å
282A91.3Very high84.9Confident0 Ų058.1 Ų58.10%030%0.295CS..Hα-helixtrans-62.8-39.7174.400000112.7V221 I223 I244 A278 Q279 K284 A285 R286V221-A282 HydrophobicContact CG1-CB 3.5Å; V221-A282 VanDerWaalsContact CG1-CB 3.5Å; I223-A282 HydrophobicContact CG1-CB 4.44Å; I244-A282 HydrophobicContact CD1-CB 4.37Å; A278-A282 PolarHBondContact O-N 3.46Å; Q279-A282 PolarHBondContact O-N 2.94Å; A282-K284 VanDerWaalsContact C-N 3.33Å; A282-K284 PolarHBondContact O-N 3.46Å; A282-A285 PolarHBondContact O-N 2.83Å; A282-R286 WeakPolarHBondContact O-CB 2.93Å; A282-R286 PolarHBondContact O-N 3.13Å
283S89.8Confident83.4Confident24 Ų2455.3 Ų55.317%0.16828%0.28CS..Hα-helixtrans-62.5-39.7176.5-59.70000112.3T20 Q279 Q280 L281 A287T20-S283 VanDerWaalsContact CB-OG 3.31Å; T20-S283 WeakPolarHBondContact CB-OG 3.24Å; T20-S283 WeakPolarHBondContact CG2-OG 3.47Å; Q279-S283 WeakPolarHBondContact O-CB 3.27Å; Q279-S283 PolarHBondContact O-N 2.74Å; Q279-S283 PolarHBondContact O-OG 3.22Å; Q280-S283 PolarHBondContact O-N 3.31Å; L281-S283 PolarHBondContact O-N 3.06Å; S283-A287 PolarHBondContact O-N 3.22Å; S283-A287 VanDerWaalsContact O-N 3.1Å
284K89.3Confident81.9Confident127 Ų12753.5 Ų53.555%0.55226%0.264SS*.Hα-helixtrans-65.9-49.1173.8-70.9172.6-176.5174.60111.2Q280 L281 A282 R286 A287 E288Q280-K284 WeakPolarHBondContact O-CG 3.44Å; Q280-K284 PolarHBondContact O-N 2.97Å; L281-K284 PolarHBondContact O-N 2.82Å; A282-K284 VanDerWaalsContact C-N 3.33Å; A282-K284 PolarHBondContact O-N 3.46Å; K284-R286 VanDerWaalsContact C-N 3.27Å; K284-R286 PolarHBondContact O-N 3.41Å; K284-A287 WeakPolarHBondContact O-CB 3.17Å; K284-A287 PolarHBondContact O-N 2.96Å; K284-A287 VanDerWaalsContact O-N 3.11Å; K284-E288 WeakPolarHBondContact O-CG 3.42Å; K284-E288 PolarHBondContact O-N 3.43Å
285A86.4Confident80.2Confident11 Ų1157.5 Ų57.59%0.09129%0.292CS..Hα-helixtrans-58.8-39178.100000112.2I223 L281 A282 E288 W289 A290I223-A285 HydrophobicContact CD1-CB 3.95Å; I223-A285 HydrophobicContact CG1-CB 4.29Å; I223-A285 HydrophobicContact CG2-CB 3.87Å; L281-A285 WeakPolarHBondContact O-CB 3.43Å; L281-A285 PolarHBondContact O-N 3.46Å; A282-A285 PolarHBondContact O-N 2.83Å; A285-E288 CarbonylContact O-C 3.49Å; A285-E288 PolarHBondContact O-N 2.84Å; A285-W289 PolarHBondContact O-N 3.39Å; A285-W289 VanDerWaalsContact O-N 3.16Å; A285-A290 HydrophobicContact CB-CB 4.2Å; A285-A290 WeakPolarHBondContact O-CB 3.35Å; A285-A290 PolarHBondContact O-N 3.43Å
286R83Confident78.5Confident104 Ų10459.5 Ų59.539%0.39231%0.308SS..Hα-helixtrans-65.3-43.1174.9-172.6-177.3172.5175.84.7112.4I223 E224 C226 A282 K284 E288 W289 F291I223-R286 HydrophobicContact CG2-CB 3.91Å; I223-R286 WeakPolarHBondContact O-CB 3.37Å; I223-R286 WeakPolarHBondContact O-CD 3.38Å; E224-R286 WeakPolarHBondContact O-CD 3.49Å; E224-R286 PolarHBondContact O-NE 3.14Å; E224-R286 PolarHBondContact O-NH1 3.36Å; E224-R286 VanDerWaalsContact O-NH1 3.14Å; C226-R286 WeakPolarHBondContact SG-CD 3.23Å; A282-R286 WeakPolarHBondContact O-CB 2.93Å; A282-R286 PolarHBondContact O-N 3.13Å; K284-R286 VanDerWaalsContact C-N 3.27Å; K284-R286 PolarHBondContact O-N 3.41Å; R286-E288 PolarHBondContact O-N 2.77Å; R286-W289 PolarHBondContact O-N 2.97Å; R286-F291 HydrophobicContact CG-CD1 4.29Å; R286-F291 HydrophobicContact CG-CE1 3.86Å
287A78.5Confident77.2Confident80 Ų8058.3 Ų58.366%0.66130%0.303SS*.Hα-helixtrans-63-28.1176.100000112.3S283 K284 W289S283-A287 PolarHBondContact O-N 3.22Å; S283-A287 VanDerWaalsContact O-N 3.1Å; K284-A287 WeakPolarHBondContact O-CB 3.17Å; K284-A287 PolarHBondContact O-N 2.96Å; K284-A287 VanDerWaalsContact O-N 3.11Å; A287-W289 VanDerWaalsContact C-N 3.33Å
288E78.4Confident76.3Confident151 Ų15157.5 Ų57.571%0.70630%0.302SS*.THydrogen-bonded Turntrans-87.32.8174.4-67171.2-178.800113.4K284 A285 R286 A290K284-E288 WeakPolarHBondContact O-CG 3.42Å; K284-E288 PolarHBondContact O-N 3.43Å; A285-E288 CarbonylContact O-C 3.49Å; A285-E288 PolarHBondContact O-N 2.84Å; R286-E288 PolarHBondContact O-N 2.77Å; E288-A290 PolarHBondContact O-N 3.08Å
289W67.5Low75.5Confident201 Ų20158 Ų5876%0.76130%0.304SS*.THydrogen-bonded Turntrans56.129.3-174.8-59.486.3000114.1A285 R286 A287 F291A285-W289 PolarHBondContact O-N 3.39Å; A285-W289 VanDerWaalsContact O-N 3.16Å; R286-W289 PolarHBondContact O-N 2.97Å; A287-W289 VanDerWaalsContact C-N 3.33Å; W289-F291 HydrophobicContact CE3-CE1 4.08Å; W289-F291 HydrophobicContact CE3-CZ 4.18Å; W289-F291 HydrophobicContact CZ3-CZ 4.35Å; W289-F291 PolarHBondContact O-N 3.02Å
290A65.7Low74.9Confident41 Ų4159.2 Ų59.234%0.33931%0.311SS..  trans-81.649.4177.400000112.2I223 A285 E288I223-A290 WeakPolarHBondContact CD1-O 3.49Å; A285-A290 HydrophobicContact CB-CB 4.2Å; A285-A290 WeakPolarHBondContact O-CB 3.35Å; A285-A290 PolarHBondContact O-N 3.43Å; E288-A290 PolarHBondContact O-N 3.08Å
291F53.8Low74.5Confident33 Ų3355.8 Ų55.815%0.14530%0.295CS..SBendtrans-150.6161.6174.472.9-78.8000111.8I223 E224 D246 R286 W289 D293I223-F291 HydrophobicContact CB-CB 3.94Å; I223-F291 HydrophobicContact CG2-CB 3.69Å; I223-F291 HydrophobicContact CG2-CD1 4Å; I223-F291 HydrophobicContact CG2-CG 4.09Å; E224-F291 HydrophobicContact CB-CD2 3.65Å; E224-F291 HydrophobicContact CB-CE2 3.9Å; E224-F291 HydrophobicContact CB-CG 4.4Å; E224-F291 HydrophobicContact CG-CD2 3.96Å; E224-F291 HydrophobicContact CG-CE2 3.7Å; D246-F291 HydrophobicContact CB-CB 4.28Å; R286-F291 HydrophobicContact CG-CD1 4.29Å; R286-F291 HydrophobicContact CG-CE1 3.86Å; W289-F291 HydrophobicContact CE3-CE1 4.08Å; W289-F291 HydrophobicContact CE3-CZ 4.18Å; W289-F291 HydrophobicContact CZ3-CZ 4.35Å; W289-F291 PolarHBondContact O-N 3.02Å; F291-D293 HydrophobicContact CE2-CB 4Å
292T59.8Low74.1Confident20 Ų2060.8 Ų60.812%0.12331%0.311CS..  trans-98.6112.4176.1-51.60000108.7D246 I248 L294 F297D246-T292 PolarHBondContact O-N 3.43Å; I248-T292 HydrophobicContact CD1-CG2 4.44Å; I248-T292 WeakPolarHBondContact CD1-OG1 3.33Å; I248-T292 HydrophobicContact CG2-CG2 4.24Å; T292-L294 HydrophobicContact CG2-CD2 4.44Å; T292-L294 PolarHBondContact O-N 2.89Å; T292-L294 VanDerWaalsContact O-N 3.12Å; T292-F297 HydrophobicContact CG2-CB 4.38Å
293D63.3Low74.1Confident42 Ų4264.8 Ų64.823%0.22533%0.33CS..  trans-73.4100174.7176.2-3000109.8F291 S295 S296 F297F291-D293 HydrophobicContact CE2-CB 4Å; D293-S295 PolarHBondContact O-N 3.45Å; D293-S295 VanDerWaalsContact O-N 3.12Å; D293-S295 WeakPolarHBondContact OD1-CA 3.38Å; D293-S295 VanDerWaalsContact OD1-CB 3.25Å; D293-S295 WeakPolarHBondContact OD1-CB 3.18Å; D293-S295 PolarHBondContact OD1-N 3.12Å; D293-S295 PolarHBondContact OD1-OG 3.46Å; D293-S295 PolarHBondContact OD2-OG 3.4Å; D293-S296 PolarHBondContact O-N 3.25Å; D293-S296 PolarHBondContact OD1-N 2.98Å; D293-S296 WeakPolarHBondContact OD2-CB 3.49Å; D293-S296 PolarHBondContact OD2-OG 3.33Å; D293-F297 WeakPolarHBondContact O-CB 3.26Å; D293-F297 WeakPolarHBondContact O-CD1 3.41Å; D293-F297 PolarHBondContact O-N 2.86Å
294L61.4Low74.1Confident32 Ų3266.4 Ų66.417%0.16834%0.34CS..THydrogen-bonded Turntrans-66.8-9.3179.2-64.8178.8000113.1I248 T292 F297 G310 Q311I248-L294 HydrophobicContact CG2-CD2 4.13Å; T292-L294 HydrophobicContact CG2-CD2 4.44Å; T292-L294 PolarHBondContact O-N 2.89Å; T292-L294 VanDerWaalsContact O-N 3.12Å; L294-F297 VanDerWaalsContact C-CD1 3.41Å; L294-F297 VanDerWaalsContact CA-CE1 3.44Å; L294-F297 HydrophobicContact CB-CD1 4.37Å; L294-F297 HydrophobicContact CB-CE1 3.98Å; L294-F297 HydrophobicContact CD2-CD1 4.31Å; L294-F297 HydrophobicContact CD2-CE1 3.79Å; L294-F297 HydrophobicContact CD2-CE2 4.05Å; L294-F297 HydrophobicContact CD2-CZ 3.63Å; L294-F297 WeakPolarHBondContact O-CD1 3.12Å; L294-F297 WeakPolarHBondContact O-CE1 3.17Å; L294-G310 CarbonylContact O-C 3.49Å; L294-G310 WeakPolarHBondContact O-CA 3.34Å; L294-Q311 HydrophobicContact CB-CB 4.48Å; L294-Q311 WeakPolarHBondContact O-CB 3.39Å; L294-Q311 PolarHBondContact O-N 2.88Å
295S60.3Low74Confident85 Ų8565.7 Ų65.759%0.59434%0.343SS*.THydrogen-bonded Turntrans-86.7-30.917578.90000112.8D293 G310D293-S295 PolarHBondContact O-N 3.45Å; D293-S295 VanDerWaalsContact O-N 3.12Å; D293-S295 WeakPolarHBondContact OD1-CA 3.38Å; D293-S295 VanDerWaalsContact OD1-CB 3.25Å; D293-S295 WeakPolarHBondContact OD1-CB 3.18Å; D293-S295 PolarHBondContact OD1-N 3.12Å; D293-S295 PolarHBondContact OD1-OG 3.46Å; D293-S295 PolarHBondContact OD2-OG 3.4Å; S295-G310 WeakPolarHBondContact O-CA 3.15Å
296S59.1Low73.9Confident63 Ų6366.4 Ų66.444%0.44135%0.348SS..THydrogen-bonded Turntrans-117.4-8-173.273.20000114.9D293 T298D293-S296 PolarHBondContact O-N 3.25Å; D293-S296 PolarHBondContact OD1-N 2.98Å; D293-S296 WeakPolarHBondContact OD2-CB 3.49Å; D293-S296 PolarHBondContact OD2-OG 3.33Å; S296-T298 PolarHBondContact O-N 2.86Å
297F64.2Low74Confident28 Ų2866.2 Ų66.212%0.12336%0.36CS..  trans-58.9137.7178.276.2-55000112.5T292 D293 L294 L299 G310 Q311 E328T292-F297 HydrophobicContact CG2-CB 4.38Å; D293-F297 WeakPolarHBondContact O-CB 3.26Å; D293-F297 WeakPolarHBondContact O-CD1 3.41Å; D293-F297 PolarHBondContact O-N 2.86Å; L294-F297 VanDerWaalsContact C-CD1 3.41Å; L294-F297 VanDerWaalsContact CA-CE1 3.44Å; L294-F297 HydrophobicContact CB-CD1 4.37Å; L294-F297 HydrophobicContact CB-CE1 3.98Å; L294-F297 HydrophobicContact CD2-CD1 4.31Å; L294-F297 HydrophobicContact CD2-CE1 3.79Å; L294-F297 HydrophobicContact CD2-CE2 4.05Å; L294-F297 HydrophobicContact CD2-CZ 3.63Å; L294-F297 WeakPolarHBondContact O-CD1 3.12Å; L294-F297 WeakPolarHBondContact O-CE1 3.17Å; F297-L299 HydrophobicContact CD2-CD1 4.19Å; F297-L299 HydrophobicContact CD2-CD2 3.64Å; F297-L299 HydrophobicContact CD2-CG 3.62Å; F297-L299 HydrophobicContact CE1-CD1 4.07Å; F297-L299 HydrophobicContact CE1-CG 4.44Å; F297-L299 HydrophobicContact CE2-CD1 3.46Å; F297-L299 VanDerWaalsContact CE2-CD1 3.46Å; F297-L299 HydrophobicContact CE2-CD2 3.24Å; F297-L299 HydrophobicContact CE2-CG 3.32Å; F297-L299 HydrophobicContact CG-CG 4.35Å; F297-L299 HydrophobicContact CZ-CD1 3.4Å; F297-L299 HydrophobicContact CZ-CD2 4.1Å; F297-L299 HydrophobicContact CZ-CG 3.8Å; F297-G310 PolarHBondContact O-N 3.27Å; F297-Q311 HydrophobicContact CE1-CB 4.17Å; F297-E328 HydrophobicContact CB-CG 4.43Å; F297-E328 HydrophobicContact CD2-CB 4.36Å; F297-E328 HydrophobicContact CD2-CG 4.05Å
298T75.6Confident74.3Confident35 Ų3563.2 Ų63.222%0.21533%0.333CS..EExtended strand (participates in β ladder)trans-89.4120.4177.9-58.20000108.8S296 L308 E328 I329S296-T298 PolarHBondContact O-N 2.86Å; T298-L308 CarbonylContact C-O 3.59Å; T298-L308 WeakPolarHBondContact CA-O 3.39Å; T298-E328 CarbonylContact O-C 3.5Å; T298-E328 WeakPolarHBondContact O-CA 3.41Å; T298-I329 PolarHBondContact O-N 3.5Å
299L79.4Confident74.6Confident10 Ų1060.3 Ų60.35%0.05233%0.326CS..EExtended strand (participates in β ladder)trans-108.1150.9179-76.4174000110.5F297 P307 L308 A314 F326 R327 E328F297-L299 HydrophobicContact CD2-CD1 4.19Å; F297-L299 HydrophobicContact CD2-CD2 3.64Å; F297-L299 HydrophobicContact CD2-CG 3.62Å; F297-L299 HydrophobicContact CE1-CD1 4.07Å; F297-L299 HydrophobicContact CE1-CG 4.44Å; F297-L299 HydrophobicContact CE2-CD1 3.46Å; F297-L299 VanDerWaalsContact CE2-CD1 3.46Å; F297-L299 HydrophobicContact CE2-CD2 3.24Å; F297-L299 HydrophobicContact CE2-CG 3.32Å; F297-L299 HydrophobicContact CG-CG 4.35Å; F297-L299 HydrophobicContact CZ-CD1 3.4Å; F297-L299 HydrophobicContact CZ-CD2 4.1Å; F297-L299 HydrophobicContact CZ-CG 3.8Å; L299-P307 CarbonylContact O-C 3.55Å; L299-P307 WeakPolarHBondContact O-CA 3.3Å; L299-L308 HydrophobicContact CB-CB 3.93Å; L299-L308 PolarHBondContact N-O 2.81Å; L299-L308 PolarHBondContact O-N 2.88Å; L299-A314 HydrophobicContact CD1-CB 3.47Å; L299-A314 VanDerWaalsContact CD1-CB 3.47Å; L299-F326 HydrophobicContact CD1-CB 4.27Å; L299-F326 HydrophobicContact CD2-CB 3.95Å; L299-R327 CarbonylContact C-O 3.43Å; L299-R327 WeakPolarHBondContact CA-O 3.35Å; L299-E328 HydrophobicContact CD2-CB 4.24Å
300L82.2Confident75Confident42 Ų4250.8 Ų50.822%0.2229%0.29CS..EExtended strand (participates in β ladder)trans-119126.8166.4-165.296000108.9R302 D305 A306 F326 R327 I329L300-R302 PolarHBondContact O-N 3.26Å; L300-D305 WeakPolarHBondContact CD1-O 3.3Å; L300-D305 HydrophobicContact CD2-CB 4.46Å; L300-A306 WeakPolarHBondContact CA-O 3.48Å; L300-F326 CarbonylContact O-C 3.48Å; L300-F326 WeakPolarHBondContact O-CA 3.34Å; L300-R327 PolarHBondContact N-O 2.93Å; L300-R327 PolarHBondContact O-N 2.82Å; L300-I329 HydrophobicContact CB-CD1 3.55Å; L300-I329 HydrophobicContact CB-CG1 4.07Å; L300-I329 HydrophobicContact CD1-CD1 3.86Å; L300-I329 HydrophobicContact CD2-CD1 4.34Å; L300-I329 HydrophobicContact CG-CD1 4.11Å
301C83.9Confident75.7Confident0 Ų052.9 Ų52.90%029%0.293CS..EExtended strand (participates in β ladder)trans-70.4115.9169.2-179.10000109.6Q303 C304 D305 A306 L308 H317 H323 Q325 F326C301-Q303 PolarHBondContact O-N 3.2Å; C301-Q303 VanDerWaalsContact O-N 3.13Å; C301-C304 PolarHBondContact O-N 2.93Å; C301-D305 WeakPolarHBondContact O-CA 3.19Å; C301-D305 PolarHBondContact O-N 3.2Å; C301-A306 HydrophobicContact CB-CB 4.26Å; C301-A306 PolarHBondContact N-O 3.42Å; C301-L308 HydrophobicContact CB-CD1 4.18Å; C301-H317 PolarHBondContact SG-NE2 3.23Å; C301-H323 WeakPolarHBondContact SG-CB 3.37Å; C301-Q325 CarbonylContact C-O 3.52Å; C301-F326 HydrophobicContact CB-CD1 4.23Å; C301-F326 HydrophobicContact CB-CE1 4.19Å
302R83.7Confident77.1Confident148 Ų14859.2 Ų59.256%0.55832%0.323SS*.THydrogen-bonded Turntrans-68.5-10.3-179.9-63.4-167.6-176.7-162.1-2.1114.3L300 Q325 R327L300-R302 PolarHBondContact O-N 3.26Å; R302-Q325 HydrophobicContact CB-CB 4.06Å; R302-Q325 PolarHBondContact N-O 2.96Å; R302-R327 HydrophobicContact CG-CB 4.13Å
303Q91.6Very high78.2Confident84 Ų8459.8 Ų59.839%0.39333%0.33SS..THydrogen-bonded Turntrans-94.4-20.8-178.5-66.9171.6-108.700112.8C301 H323 Q325C301-Q303 PolarHBondContact O-N 3.2Å; C301-Q303 VanDerWaalsContact O-N 3.13Å; Q303-H323 HydrophobicContact CB-CB 4.1Å; Q303-H323 HydrophobicContact CG-CB 4.44Å; Q303-H323 PolarHBondContact NE2-CD2 3.17Å; Q303-H323 VanDerWaalsContact NE2-CD2 3.26Å; Q303-H323 VanDerWaalsContact OE1-CA 3.23Å; Q303-Q325 HydrophobicContact CG-CB 4.3Å
304C90Very high79.1Confident58 Ų5858.1 Ų58.139%0.39232%0.322SS..THydrogen-bonded Turntrans-146.18.8-178.767.30000114.6C301 A306 H317 H323C301-C304 PolarHBondContact O-N 2.93Å; C304-A306 PolarHBondContact O-N 3.2Å; C304-A306 VanDerWaalsContact SG-CB 3.56Å; C304-H317 PolarHBondContact SG-CE1 3.47Å; C304-H323 PolarHBondContact SG-ND1 2.7Å; C304-H323 VanDerWaalsContact SG-ND1 3.4Å
305D86.6Confident80.2Confident112 Ų11261.3 Ų61.360%0.59934%0.336SS*.  trans53.723.6-178.8-57.7-45.7000114.7L300 C301 P307L300-D305 WeakPolarHBondContact CD1-O 3.3Å; L300-D305 HydrophobicContact CD2-CB 4.46Å; C301-D305 WeakPolarHBondContact O-CA 3.19Å; C301-D305 PolarHBondContact O-N 3.2Å; D305-P307 WeakPolarHBondContact O-CD 3.46Å
306A83.7Confident81.5Confident25 Ų2563.8 Ų63.821%0.20734%0.336CS..  trans-71.5125.3177.500000109.9L300 C301 C304L300-A306 WeakPolarHBondContact CA-O 3.48Å; C301-A306 HydrophobicContact CB-CB 4.26Å; C301-A306 PolarHBondContact N-O 3.42Å; C304-A306 PolarHBondContact O-N 3.2Å; C304-A306 VanDerWaalsContact SG-CB 3.56Å
307P86.1Confident82.8Confident100 Ų10061.9 Ų61.965%0.64932%0.32SS*.EExtended strand (participates in β ladder)trans-74136.7170.531.6-33.2000109.5L299 D305L299-P307 CarbonylContact O-C 3.55Å; L299-P307 WeakPolarHBondContact O-CA 3.3Å; D305-P307 WeakPolarHBondContact O-CD 3.46Å
308L84.6Confident83.9Confident17 Ų1761.7 Ų61.79%0.08932%0.324CS..EExtended strand (participates in β ladder)trans-134.4142.8-175.8-61.1164000107.1T298 L299 C301 A313 A314 H317 F326T298-L308 CarbonylContact C-O 3.59Å; T298-L308 WeakPolarHBondContact CA-O 3.39Å; L299-L308 HydrophobicContact CB-CB 3.93Å; L299-L308 PolarHBondContact N-O 2.81Å; L299-L308 PolarHBondContact O-N 2.88Å; C301-L308 HydrophobicContact CB-CD1 4.18Å; L308-A313 HydrophobicContact CB-CB 4.27Å; L308-A313 HydrophobicContact CD2-CB 4.34Å; L308-A314 HydrophobicContact CD1-CB 4.39Å; L308-H317 HydrophobicContact CD1-CB 3.94Å; L308-H317 HydrophobicContact CD2-CB 3.7Å; L308-H317 HydrophobicContact CG-CB 4.48Å; L308-F326 HydrophobicContact CD1-CD1 3.57Å; L308-F326 HydrophobicContact CD1-CE1 3.35Å; L308-F326 HydrophobicContact CD1-CZ 4.48Å
309V83.3Confident84.4Confident90 Ų9067.8 Ų67.855%0.54535%0.35SS..EExtended strand (participates in β ladder)trans-121.7118.4178.1-179.10000108A313V309-A313 WeakPolarHBondContact O-CB 3.5Å
310G76.7Confident84.9Confident2 Ų273.8 Ų73.82%0.02138%0.381CS..Hα-helixtrans78.1165.1-179.100000114.6L294 S295 F297 E312 A313 A314L294-G310 CarbonylContact O-C 3.49Å; L294-G310 WeakPolarHBondContact O-CA 3.34Å; S295-G310 WeakPolarHBondContact O-CA 3.15Å; F297-G310 PolarHBondContact O-N 3.27Å; G310-E312 VanDerWaalsContact C-N 3.33Å; G310-E312 PolarHBondContact O-N 3.04Å; G310-A313 PolarHBondContact O-N 3.13Å; G310-A314 PolarHBondContact O-N 3.37Å
311Q80Confident85.2Confident85 Ų8574.8 Ų74.840%0.39739%0.389SS..Hα-helixtrans-63.9-38.6-178.3179.1179.3-24.800111.4L294 F297 A313 A314 Q315L294-Q311 HydrophobicContact CB-CB 4.48Å; L294-Q311 WeakPolarHBondContact O-CB 3.39Å; L294-Q311 PolarHBondContact O-N 2.88Å; F297-Q311 HydrophobicContact CE1-CB 4.17Å; Q311-A313 VanDerWaalsContact C-N 3.34Å; Q311-A313 PolarHBondContact O-N 2.97Å; Q311-A314 PolarHBondContact O-N 3.05Å; Q311-Q315 HydrophobicContact CG-CG 4.17Å; Q311-Q315 WeakPolarHBondContact O-CB 3.31Å; Q311-Q315 WeakPolarHBondContact O-CG 3.13Å; Q311-Q315 PolarHBondContact O-N 2.99Å
312E82.8Confident85.3Confident165 Ų16577.4 Ų77.477%0.77142%0.416SS*.Hα-helixtrans-60.7-42.6178.8-69.7-170.2170.500111.9G310 A314 Q315 K316G310-E312 VanDerWaalsContact C-N 3.33Å; G310-E312 PolarHBondContact O-N 3.04Å; E312-A314 VanDerWaalsContact C-N 3.35Å; E312-Q315 PolarHBondContact O-N 2.84Å; E312-K316 VanDerWaalsContact O-CB 3.3Å; E312-K316 WeakPolarHBondContact O-CB 3.35Å; E312-K316 PolarHBondContact O-N 3.01Å
313A84.2Confident85.4Confident32 Ų3272.3 Ų72.326%0.26440%0.398SS..Hα-helixtrans-64.6-41.517700000111.1L308 V309 G310 Q311 K316 H317L308-A313 HydrophobicContact CB-CB 4.27Å; L308-A313 HydrophobicContact CD2-CB 4.34Å; V309-A313 WeakPolarHBondContact O-CB 3.5Å; G310-A313 PolarHBondContact O-N 3.13Å; Q311-A313 VanDerWaalsContact C-N 3.34Å; Q311-A313 PolarHBondContact O-N 2.97Å; A313-K316 PolarHBondContact O-N 2.83Å; A313-H317 VanDerWaalsContact O-CB 3.24Å; A313-H317 WeakPolarHBondContact O-CB 3.45Å; A313-H317 PolarHBondContact O-N 3.26Å
314A82.5Confident85Confident7 Ų773.3 Ų73.36%0.05841%0.41CS..Hα-helixtrans-66.5-42.3177.200000113.1L299 L308 G310 Q311 E312 H317 A318 F326L299-A314 HydrophobicContact CD1-CB 3.47Å; L299-A314 VanDerWaalsContact CD1-CB 3.47Å; L308-A314 HydrophobicContact CD1-CB 4.39Å; G310-A314 PolarHBondContact O-N 3.37Å; Q311-A314 PolarHBondContact O-N 3.05Å; E312-A314 VanDerWaalsContact C-N 3.35Å; A314-H317 PolarHBondContact O-N 3.29Å; A314-A318 WeakPolarHBondContact O-CB 3.08Å; A314-A318 PolarHBondContact O-N 2.8Å; A314-F326 HydrophobicContact CB-CD1 4.27Å; A314-F326 HydrophobicContact CB-CD2 4.32Å; A314-F326 HydrophobicContact CB-CE1 4.14Å; A314-F326 HydrophobicContact CB-CE2 4.18Å; A314-F326 HydrophobicContact CB-CG 4.36Å; A314-F326 HydrophobicContact CB-CZ 4.09Å; A314-F326 VanDerWaalsContact O-CZ 3.3Å; A314-F326 WeakPolarHBondContact O-CZ 3.25Å
315Q83.4Confident84.4Confident99 Ų9976 Ų7646%0.46342%0.417SS..Hα-helixtrans-62.4-46.1175-74.5179.9-17.400111.3Q311 E312 H317 A318 Q319Q311-Q315 HydrophobicContact CG-CG 4.17Å; Q311-Q315 WeakPolarHBondContact O-CB 3.31Å; Q311-Q315 WeakPolarHBondContact O-CG 3.13Å; Q311-Q315 PolarHBondContact O-N 2.99Å; E312-Q315 PolarHBondContact O-N 2.84Å; Q315-H317 VanDerWaalsContact C-N 3.32Å; Q315-H317 PolarHBondContact O-N 3.16Å; Q315-A318 PolarHBondContact O-N 2.9Å; Q315-Q319 VanDerWaalsContact O-CG 3.32Å; Q315-Q319 WeakPolarHBondContact O-CG 3.36Å; Q315-Q319 PolarHBondContact O-N 3.27Å
316K87.4Confident84.1Confident137 Ų13773.5 Ų73.560%0.59640%0.401SS*.Hα-helixtrans-63-39.9176.3-171.5176.7-179.1179.70111.7E312 A313 Q319 L320E312-K316 VanDerWaalsContact O-CB 3.3Å; E312-K316 WeakPolarHBondContact O-CB 3.35Å; E312-K316 PolarHBondContact O-N 3.01Å; A313-K316 PolarHBondContact O-N 2.83Å; K316-Q319 PolarHBondContact O-N 2.98Å; K316-L320 HydrophobicContact CG-CD1 4.03Å; K316-L320 WeakPolarHBondContact O-CB 3.34Å; K316-L320 VanDerWaalsContact O-CG 3.3Å; K316-L320 WeakPolarHBondContact O-CG 3.29Å; K316-L320 PolarHBondContact O-N 3.16Å
317H87.5Confident83.7Confident24 Ų2479.1 Ų79.111%0.11142%0.417CS..Hα-helixtrans-62.7-45.5175.2-176.985.4000111.9C301 C304 L308 A313 A314 Q315 Q319 L320 T321 H323 F326C301-H317 PolarHBondContact SG-NE2 3.23Å; C304-H317 PolarHBondContact SG-CE1 3.47Å; L308-H317 HydrophobicContact CD1-CB 3.94Å; L308-H317 HydrophobicContact CD2-CB 3.7Å; L308-H317 HydrophobicContact CG-CB 4.48Å; A313-H317 VanDerWaalsContact O-CB 3.24Å; A313-H317 WeakPolarHBondContact O-CB 3.45Å; A313-H317 PolarHBondContact O-N 3.26Å; A314-H317 PolarHBondContact O-N 3.29Å; Q315-H317 VanDerWaalsContact C-N 3.32Å; Q315-H317 PolarHBondContact O-N 3.16Å; H317-Q319 VanDerWaalsContact C-N 3.34Å; H317-Q319 PolarHBondContact O-N 3.41Å; H317-L320 PolarHBondContact O-N 2.91Å; H317-T321 PolarHBondContact CD2-OG1 3.39Å; H317-T321 PolarHBondContact NE2-OG1 3.43Å; H317-T321 WeakPolarHBondContact O-CB 3.36Å; H317-T321 PolarHBondContact O-N 3.39Å; H317-T321 PolarHBondContact O-OG1 3.46Å; H317-H323 AromaticContact NE2-CG 4Å; H317-H323 AromaticContact NE2-ND1 3.54Å; H317-F326 HydrophobicContact CB-CE1 4.49Å; H317-F326 AromaticContact CD2-CE1 3.65Å
318A87.2Confident83.1Confident24 Ų2477.6 Ų77.620%0.19840%0.401CS..Hα-helixtrans-60.8-42.9176.100000112.1A314 Q315 L320 G322 H323 F326A314-A318 WeakPolarHBondContact O-CB 3.08Å; A314-A318 PolarHBondContact O-N 2.8Å; Q315-A318 PolarHBondContact O-N 2.9Å; A318-L320 PolarHBondContact O-N 3.12Å; A318-G322 VanDerWaalsContact O-CA 3.23Å; A318-G322 WeakPolarHBondContact O-CA 3.11Å; A318-G322 PolarHBondContact O-N 3.26Å; A318-H323 WeakPolarHBondContact CA-O 2.99Å; A318-H323 VanDerWaalsContact CB-O 3.22Å; A318-H323 WeakPolarHBondContact CB-O 3.41Å; A318-F326 HydrophobicContact CB-CE2 4.32Å; A318-F326 HydrophobicContact CB-CZ 4.05Å
319Q85.1Confident82.4Confident162 Ų16279.7 Ų79.776%0.75741%0.412SS*.Hα-helixtrans-63.5-39.4177.4-73.5173.31.900112.8Q315 K316 H317Q315-Q319 VanDerWaalsContact O-CG 3.32Å; Q315-Q319 WeakPolarHBondContact O-CG 3.36Å; Q315-Q319 PolarHBondContact O-N 3.27Å; K316-Q319 PolarHBondContact O-N 2.98Å; H317-Q319 VanDerWaalsContact C-N 3.34Å; H317-Q319 PolarHBondContact O-N 3.41Å
320L90.4Very high81.2Confident137 Ų13781.1 Ų81.172%0.71742%0.421SS*.Hα-helixtrans-81.1-33.1-176.7-70.3171.9000113.6K316 H317 A318K316-L320 HydrophobicContact CG-CD1 4.03Å; K316-L320 WeakPolarHBondContact O-CB 3.34Å; K316-L320 VanDerWaalsContact O-CG 3.3Å; K316-L320 WeakPolarHBondContact O-CG 3.29Å; K316-L320 PolarHBondContact O-N 3.16Å; H317-L320 PolarHBondContact O-N 2.91Å; A318-L320 PolarHBondContact O-N 3.12Å
321T88.6Confident79.9Confident63 Ų6391.8 Ų91.839%0.38747%0.47SS..Hα-helixtrans-111.6-17.2-170.964.70000114H317 H323H317-T321 PolarHBondContact CD2-OG1 3.39Å; H317-T321 PolarHBondContact NE2-OG1 3.43Å; H317-T321 WeakPolarHBondContact O-CB 3.36Å; H317-T321 PolarHBondContact O-N 3.39Å; H317-T321 PolarHBondContact O-OG1 3.46Å; T321-H323 PolarHBondContact O-N 3.26Å; T321-H323 VanDerWaalsContact OG1-CB 3.29Å; T321-H323 WeakPolarHBondContact OG1-CB 3.45Å; T321-H323 VanDerWaalsContact OG1-CG 3.26Å; T321-H323 PolarHBondContact OG1-N 3.32Å; T321-H323 VanDerWaalsContact OG1-N 3.1Å
322G85.4Confident79.8Confident54 Ų5492.2 Ų92.256%0.55747%0.473SS*.  trans72.35.6-167.200000113.9A318A318-G322 VanDerWaalsContact O-CA 3.23Å; A318-G322 WeakPolarHBondContact O-CA 3.11Å; A318-G322 PolarHBondContact O-N 3.26Å
323H86.9Confident79.7Confident42 Ų4288.3 Ų88.319%0.19446%0.458CS..  trans-80.5127.6178.3-59.6169.2000111.4C301 Q303 C304 H317 A318 T321 F326C301-H323 WeakPolarHBondContact SG-CB 3.37Å; Q303-H323 HydrophobicContact CB-CB 4.1Å; Q303-H323 HydrophobicContact CG-CB 4.44Å; Q303-H323 PolarHBondContact NE2-CD2 3.17Å; Q303-H323 VanDerWaalsContact NE2-CD2 3.26Å; Q303-H323 VanDerWaalsContact OE1-CA 3.23Å; C304-H323 PolarHBondContact SG-ND1 2.7Å; C304-H323 VanDerWaalsContact SG-ND1 3.4Å; H317-H323 AromaticContact NE2-CG 4Å; H317-H323 AromaticContact NE2-ND1 3.54Å; A318-H323 WeakPolarHBondContact CA-O 2.99Å; A318-H323 VanDerWaalsContact CB-O 3.22Å; A318-H323 WeakPolarHBondContact CB-O 3.41Å; T321-H323 PolarHBondContact O-N 3.26Å; T321-H323 VanDerWaalsContact OG1-CB 3.29Å; T321-H323 WeakPolarHBondContact OG1-CB 3.45Å; T321-H323 VanDerWaalsContact OG1-CG 3.26Å; T321-H323 PolarHBondContact OG1-N 3.32Å; T321-H323 VanDerWaalsContact OG1-N 3.1Å; H323-F326 VanDerWaalsContact O-CZ 3.31Å; H323-F326 WeakPolarHBondContact O-CZ 3.24Å
324T81.7Confident79.4Confident104 Ų10491.4 Ų91.464%0.63847%0.468SS*.  trans-123.5-1.2-175.254.80000113.4
325Q77.4Confident79.3Confident114 Ų11496.4 Ų96.453%0.53349%0.492SS..  trans-95.1102.1178.1-61.6-175.3-1.900111.2C301 R302 Q303C301-Q325 CarbonylContact C-O 3.52Å; R302-Q325 HydrophobicContact CB-CB 4.06Å; R302-Q325 PolarHBondContact N-O 2.96Å; Q303-Q325 HydrophobicContact CG-CB 4.3Å
326F81.3Confident79Confident60 Ų6096.3 Ų96.326%0.26349%0.494SS..EExtended strand (participates in β ladder)trans-109.5149177.3-54.7-71.3000111.4L299 L300 C301 L308 A314 H317 A318 H323L299-F326 HydrophobicContact CD1-CB 4.27Å; L299-F326 HydrophobicContact CD2-CB 3.95Å; L300-F326 CarbonylContact O-C 3.48Å; L300-F326 WeakPolarHBondContact O-CA 3.34Å; C301-F326 HydrophobicContact CB-CD1 4.23Å; C301-F326 HydrophobicContact CB-CE1 4.19Å; L308-F326 HydrophobicContact CD1-CD1 3.57Å; L308-F326 HydrophobicContact CD1-CE1 3.35Å; L308-F326 HydrophobicContact CD1-CZ 4.48Å; A314-F326 HydrophobicContact CB-CD1 4.27Å; A314-F326 HydrophobicContact CB-CD2 4.32Å; A314-F326 HydrophobicContact CB-CE1 4.14Å; A314-F326 HydrophobicContact CB-CE2 4.18Å; A314-F326 HydrophobicContact CB-CG 4.36Å; A314-F326 HydrophobicContact CB-CZ 4.09Å; A314-F326 VanDerWaalsContact O-CZ 3.3Å; A314-F326 WeakPolarHBondContact O-CZ 3.25Å; H317-F326 HydrophobicContact CB-CE1 4.49Å; H317-F326 AromaticContact CD2-CE1 3.65Å; A318-F326 HydrophobicContact CB-CE2 4.32Å; A318-F326 HydrophobicContact CB-CZ 4.05Å; H323-F326 VanDerWaalsContact O-CZ 3.31Å; H323-F326 WeakPolarHBondContact O-CZ 3.24Å
327R75.4Confident78.4Confident144 Ų14493.5 Ų93.554%0.54349%0.487SS..EExtended strand (participates in β ladder)trans-128.8127173-174.7-176.4171.7-175.7-1.9109.1L299 L300 R302L299-R327 CarbonylContact C-O 3.43Å; L299-R327 WeakPolarHBondContact CA-O 3.35Å; L300-R327 PolarHBondContact N-O 2.93Å; L300-R327 PolarHBondContact O-N 2.82Å; R302-R327 HydrophobicContact CG-CB 4.13Å
328E73.3Confident77.8Confident67 Ų6798.5 Ų98.531%0.31351%0.514SS..EExtended strand (participates in β ladder)trans-67.7136.1168.5-171.6177.1-179.900110.9F297 T298 L299F297-E328 HydrophobicContact CB-CG 4.43Å; F297-E328 HydrophobicContact CD2-CB 4.36Å; F297-E328 HydrophobicContact CD2-CG 4.05Å; T298-E328 CarbonylContact O-C 3.5Å; T298-E328 WeakPolarHBondContact O-CA 3.41Å; L299-E328 HydrophobicContact CD2-CB 4.24Å
329I69.3Low77.1Confident62 Ų62104.2 Ų104.232%0.31854%0.539SS..  trans-115.9114.6171.7-58.1-175.3000106.8T298 L300T298-I329 PolarHBondContact O-N 3.5Å; L300-I329 HydrophobicContact CB-CD1 3.55Å; L300-I329 HydrophobicContact CB-CG1 4.07Å; L300-I329 HydrophobicContact CD1-CD1 3.86Å; L300-I329 HydrophobicContact CD2-CD1 4.34Å; L300-I329 HydrophobicContact CG-CD1 4.11Å
330T57.7Low76.4Confident120 Ų12099.4 Ų99.474%0.73652%0.52SS*.  trans-82.1131.4165.542.20000109
331H49.2Very low75.1Confident226 Ų22696 Ų96100%1.04650%0.503SS*.  trans-81.60174.5-82.1-63.7000112.5

Retrieved 331 of 331 residues in 1074.1 ms (Link to these results)

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