A0A087XSA4_POEFO Loading...

SH3 and PX domains 2B

AlphaFold DB , UniProt , Accession A0A087XSA4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 914 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
1M44.3Very low83.9Confident233 Ų23382.6 Ų82.6100%1.14841%0.408SS*.  0152.60-63-178.9-174.300108.4
2P58.3Low84.7Confident129 Ų12984.7 Ų84.784%0.83842%0.415SS*.PPolyproline II helixtrans-58.7143.1167.127.3-34.4000109.8
3R76.1Confident85.1Confident164 Ų16484.6 Ų84.662%0.61942%0.418SS*.PPolyproline II helixtrans-71.7136.3174.4-70177.1168.4-157.8-11.4109E115R3-E115 IonicContact CZ-OE2 3.59Å; R3-E115 IonicContact NH1-OE2 2.76Å; R3-E115 PolarHBondContact NH1-OE2 2.68Å; R3-E115 IonicContact NH2-OE2 2.68Å
4R86.6Confident85.6Confident59 Ų5979.2 Ų79.222%0.22339%0.392CS..PPolyproline II helixtrans-63.9137.8173.662.8177.7-174.91684.7110.7W32 S33 E38R4-W32 HydrophobicContact CB-CE3 3.93Å; R4-W32 HydrophobicContact CG-CD2 4.11Å; R4-W32 HydrophobicContact CG-CE3 3.6Å; R4-W32 HydrophobicContact CG-CZ3 3.86Å; R4-S33 WeakPolarHBondContact CA-OG 3.25Å; R4-E38 IonicContact CZ-OE1 3.34Å; R4-E38 IonicContact CZ-OE2 2.7Å; R4-E38 VanDerWaalsContact NH1-CD 3.29Å; R4-E38 IonicContact NH1-OE1 2.66Å; R4-E38 PolarHBondContact NH1-OE1 2.93Å; R4-E38 IonicContact NH1-OE2 3.85Å; R4-E38 PolarHBondContact NH1-OE2 2.68Å; R4-E38 IonicContact NH2-OE1 3.56Å; R4-E38 PolarHBondContact NH2-OE1 3Å; R4-E38 IonicContact NH2-OE2 3.18Å; R4-E38 PolarHBondContact NH2-OE2 2.98Å; R4-E38 VanDerWaalsContact NH2-OE2 3.13Å
5T90.1Very high85.8Confident34 Ų3477.3 Ų77.321%0.20938%0.382CS..  trans-119.5150.6-179.761.60000110.1W32 S33 Q113T5-W32 CarbonylContact O-C 3.57Å; T5-W32 WeakPolarHBondContact O-CA 3.48Å; T5-S33 PolarHBondContact N-OG 2.84Å; T5-S33 WeakPolarHBondContact O-CB 3.49Å; T5-S33 PolarHBondContact O-N 2.91Å; T5-S33 WeakPolarHBondContact OG1-CB 3.43Å; T5-Q113 VanDerWaalsContact CG2-CD 3.48Å; T5-Q113 HydrophobicContact CG2-CG 3.95Å
6V93.9Very high85.9Confident25 Ų2576.4 Ų76.415%0.15238%0.375CS..EExtended strand (participates in β ladder)trans-79.8124.5-179.1-1780000109.3V9 V30 W32 I105 F121V6-V9 HydrophobicContact CG1-CG2 3.47Å; V6-V9 VanDerWaalsContact CG1-CG2 3.47Å; V6-V30 HydrophobicContact CG1-CG1 3.81Å; V6-V30 HydrophobicContact CG2-CG1 4Å; V6-W32 HydrophobicContact CG2-CD2 4.49Å; V6-W32 HydrophobicContact CG2-CE3 3.87Å; V6-W32 HydrophobicContact CG2-CH2 3.75Å; V6-W32 HydrophobicContact CG2-CZ2 4.37Å; V6-W32 HydrophobicContact CG2-CZ3 3.47Å; V6-W32 VanDerWaalsContact CG2-CZ3 3.47Å; V6-I105 HydrophobicContact CB-CG2 4.24Å; V6-I105 HydrophobicContact CG1-CG2 3.89Å; V6-F121 HydrophobicContact CG2-CB 3.81Å; V6-F121 HydrophobicContact CG2-CD2 4.05Å; V6-F121 HydrophobicContact CG2-CG 4.14Å
7Q92.8Very high85.7Confident134 Ų13473.6 Ų73.663%0.62636%0.359SS*.EExtended strand (participates in β ladder)trans-96.1-40175.4-71.1-168.7-5.900112.8S31Q7-S31 PolarHBondContact N-O 2.85Å
8E94.1Very high85.1Confident89 Ų8977.1 Ų77.142%0.41637%0.368SS..EExtended strand (participates in β ladder)trans-139.8144.4178.6-160.3-166.5177.900111S31 R102E8-S31 PolarHBondContact N-O 3.2Å; E8-S31 PolarHBondContact O-N 3.04Å; E8-R102 IonicContact OE1-NH2 3.08Å
9V96.4Very high83.7Confident0 Ų076.8 Ų76.80%038%0.375CS..EExtended strand (participates in β ladder)trans-129.2134.4167.9-177.90000110V6 I28 C101 R102 I105 F121V6-V9 HydrophobicContact CG1-CG2 3.47Å; V6-V9 VanDerWaalsContact CG1-CG2 3.47Å; V9-I28 HydrophobicContact CG1-CG2 3.39Å; V9-C101 HydrophobicContact CB-CB 4.08Å; V9-C101 HydrophobicContact CG1-CB 3.61Å; V9-R102 PolarHBondContact O-NE 2.9Å; V9-I105 HydrophobicContact CB-CD1 4.33Å; V9-I105 HydrophobicContact CG2-CD1 4.14Å; V9-I105 HydrophobicContact CG2-CG2 3.98Å; V9-F121 HydrophobicContact CB-CE1 4.43Å; V9-F121 HydrophobicContact CG1-CE1 3.82Å; V9-F121 HydrophobicContact CG1-CZ 4.3Å; V9-F121 HydrophobicContact CG2-CD1 4.13Å; V9-F121 HydrophobicContact CG2-CE1 3.75Å; V9-F121 HydrophobicContact CG2-CE2 4.31Å; V9-F121 HydrophobicContact CG2-CZ 3.85Å
10T95.4Very high82.8Confident30 Ų3079.1 Ų79.118%0.18440%0.396CS..EExtended strand (participates in β ladder)trans-132.9127171.251.90000110.4I28 K29T10-I28 WeakPolarHBondContact O-CA 3.31Å; T10-K29 PolarHBondContact N-O 3.25Å; T10-K29 PolarHBondContact O-N 2.7Å
11V95.3Very high82.3Confident12 Ų1279.8 Ų79.87%0.07340%0.401CS..EExtended strand (participates in β ladder)trans-95110.9174.4-170.80000107.6Y26 I27 I28 L94 I97 N98V11-Y26 HydrophobicContact CG1-CD1 4.06Å; V11-Y26 HydrophobicContact CG1-CG 4.35Å; V11-I27 CarbonylContact C-O 3.53Å; V11-I27 WeakPolarHBondContact CA-O 3.49Å; V11-I28 HydrophobicContact CG1-CG1 4.44Å; V11-I28 HydrophobicContact CG2-CG1 4.31Å; V11-I28 HydrophobicContact CG2-CG2 4.27Å; V11-L94 HydrophobicContact CB-CD1 4.47Å; V11-L94 HydrophobicContact CG1-CD1 3.7Å; V11-I97 HydrophobicContact CG2-CG2 4.36Å; V11-N98 HydrophobicContact CB-CB 4.01Å; V11-N98 HydrophobicContact CG2-CB 4.16Å; V11-N98 PolarHBondContact N-OD1 3.46Å
12Q93Very high84Confident107 Ų10776.3 Ų76.350%0.538%0.379SS..EExtended strand (participates in β ladder)trans-85.5-50.1-166.2-62.5-171-4.400112.6I27 K29Q12-I27 PolarHBondContact N-O 3.07Å; Q12-K29 HydrophobicContact CG-CB 4.49Å
13D90.1Very high85.1Confident84 Ų8471.9 Ų71.945%0.44935%0.347SS..EExtended strand (participates in β ladder)trans-157.4179.6-176.8-162.58.5000111.1I27D13-I27 HydrophobicContact CB-CD1 4.36Å; D13-I27 PolarHBondContact O-N 3.21Å
14V91.6Very high85.7Confident9 Ų966.1 Ų66.16%0.05533%0.326CS..EExtended strand (participates in β ladder)trans-115.7108.1174.5-165.60000110.7Y24 V25 Y26 A90 L94V14-Y24 HydrophobicContact CG1-CD1 3.82Å; V14-Y24 HydrophobicContact CG1-CG 4.32Å; V14-V25 CarbonylContact C-O 3.56Å; V14-V25 WeakPolarHBondContact CA-O 3.44Å; V14-V25 WeakPolarHBondContact CG1-O 3.44Å; V14-Y26 HydrophobicContact CG1-CE1 4.4Å; V14-Y26 HydrophobicContact CG2-CD1 3.75Å; V14-Y26 HydrophobicContact CG2-CE1 3.62Å; V14-A90 HydrophobicContact CG1-CB 3.76Å; V14-L94 HydrophobicContact CG2-CB 4.47Å; V14-L94 HydrophobicContact CG2-CD1 3.95Å
15Q89.1Confident86Confident51 Ų5163.5 Ų63.524%0.23832%0.316CS..EExtended strand (participates in β ladder)trans-78.6135.7171.6-148.2-167-7.700109.9Y24 V25 I27Q15-Y24 WeakPolarHBondContact O-CA 3.47Å; Q15-V25 HydrophobicContact CB-CG2 3.76Å; Q15-V25 PolarHBondContact N-O 3.3Å; Q15-V25 PolarHBondContact O-N 2.97Å; Q15-I27 HydrophobicContact CB-CD1 4.13Å; Q15-I27 HydrophobicContact CB-CG1 4.13Å
16K86.8Confident86.2Confident63 Ų6362 Ų6227%0.27431%0.307SS..EExtended strand (participates in β ladder)trans-75.9141.9156.5-171.8-168.9171.6-157.50107.3H23 Y24 E133K16-H23 CarbonylContact C-O 3.44Å; K16-H23 WeakPolarHBondContact CA-O 3.1Å; K16-Y24 HydrophobicContact CB-CD1 4.06Å; K16-Y24 HydrophobicContact CB-CE1 3.63Å; K16-Y24 HydrophobicContact CG-CE1 4.05Å; K16-Y24 HydrophobicContact CG-CE2 4.43Å; K16-E133 VanDerWaalsContact O-OE2 3.13Å
17R83.8Confident86.2Confident29 Ų2962.3 Ų62.311%0.10931%0.307CS..EExtended strand (participates in β ladder)trans-123.6147.5164.8-72.8-175.2176.3-166.9-0.9108.6K22 H23 V25 Y41R17-K22 WeakPolarHBondContact O-CA 3.43Å; R17-H23 PolarHBondContact N-O 2.75Å; R17-H23 PolarHBondContact O-N 2.83Å; R17-V25 HydrophobicContact CG-CG2 4.13Å; R17-Y41 VanDerWaalsContact NH2-CD1 3.3Å
18R73.5Confident86.4Confident136 Ų13655.9 Ų55.951%0.51328%0.278SS..  trans-99.2-35179.1-63.7-172.1-164.4-148.911113.8P20 N21 K22 E133R18-P20 CarbonylContact O-C 3.57Å; R18-P20 VanDerWaalsContact O-O 3.13Å; R18-N21 CarbonylContact O-C 3.49Å; R18-N21 VanDerWaalsContact O-CA 3.31Å; R18-N21 WeakPolarHBondContact O-CA 3.22Å; R18-N21 PolarHBondContact O-N 3.24Å; R18-K22 PolarHBondContact O-N 2.85Å; R18-E133 WeakPolarHBondContact CD-OE1 3.3Å; R18-E133 WeakPolarHBondContact CG-OE1 3.35Å; R18-E133 IonicContact CZ-OE1 3.74Å; R18-E133 IonicContact NE-OE1 3.74Å; R18-E133 PolarHBondContact NE-OE1 2.84Å; R18-E133 IonicContact NH2-OE1 2.72Å
19S59.3Low86.5Confident71 Ų7154.8 Ų54.850%0.49727%0.271SS..SBendtrans-98.7140-177.7-460000111H23S19-H23 PolarHBondContact O-CE1 3.1Å
20P64.8Low86.4Confident122 Ų12254.8 Ų54.879%0.79227%0.271SS*.SBendcis-65.7-44.8-9.526.5-32.9000112R18R18-P20 CarbonylContact O-C 3.57Å; R18-P20 VanDerWaalsContact O-O 3.13Å
21N73.8Confident86.4Confident94 Ų9454.3 Ų54.350%0.50327%0.269SS..SBendtrans-117.5159.9175.7-62.433.3000111R18 H23 I180R18-N21 CarbonylContact O-C 3.49Å; R18-N21 VanDerWaalsContact O-CA 3.31Å; R18-N21 WeakPolarHBondContact O-CA 3.22Å; R18-N21 PolarHBondContact O-N 3.24Å; N21-H23 PolarHBondContact O-N 2.69Å; N21-H23 PolarHBondContact O-ND1 2.84Å; N21-I180 PolarHBondContact ND2-O 3.19Å
22K79.3Confident86.4Confident161 Ų16153.9 Ų53.970%0.727%0.266SS*.SBendtrans-60100.8178174.2-176.9162.8-167.60112.2R17 R18R17-K22 WeakPolarHBondContact O-CA 3.43Å; R18-K22 PolarHBondContact O-N 2.85Å
23H82.5Confident86.3Confident36 Ų3651.1 Ų51.117%0.16726%0.259CS..EExtended strand (participates in β ladder)trans-136.5175-178.469-90.2000113.2K16 R17 S19 N21K16-H23 CarbonylContact C-O 3.44Å; K16-H23 WeakPolarHBondContact CA-O 3.1Å; R17-H23 PolarHBondContact N-O 2.75Å; R17-H23 PolarHBondContact O-N 2.83Å; S19-H23 PolarHBondContact O-CE1 3.1Å; N21-H23 PolarHBondContact O-N 2.69Å; N21-H23 PolarHBondContact O-ND1 2.84Å
24Y88.5Confident86.4Confident42 Ų4251.8 Ų51.817%0.16526%0.263CS..EExtended strand (participates in β ladder)trans-119.3135.4174.5-74.6-88.2000110.9V14 Q15 K16 I86 R87 A90V14-Y24 HydrophobicContact CG1-CD1 3.82Å; V14-Y24 HydrophobicContact CG1-CG 4.32Å; Q15-Y24 WeakPolarHBondContact O-CA 3.47Å; K16-Y24 HydrophobicContact CB-CD1 4.06Å; K16-Y24 HydrophobicContact CB-CE1 3.63Å; K16-Y24 HydrophobicContact CG-CE1 4.05Å; K16-Y24 HydrophobicContact CG-CE2 4.43Å; Y24-I86 HydrophobicContact CD2-CG1 4.14Å; Y24-I86 HydrophobicContact CE2-CG1 4.43Å; Y24-I86 HydrophobicContact CE2-CG2 4.1Å; Y24-R87 HydrophobicContact CE1-CB 4.34Å; Y24-R87 HydrophobicContact CE1-CG 4.01Å; Y24-R87 HydrophobicContact CE2-CB 4.36Å; Y24-R87 WeakPolarHBondContact OH-CB 3.28Å; Y24-A90 HydrophobicContact CG-CB 4.28Å
25V92.3Very high86.3Confident4 Ų454.4 Ų54.42%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-120.2146.1173.5-64.20000110.1V14 Q15 R17 Y41 R42 R43V14-V25 CarbonylContact C-O 3.56Å; V14-V25 WeakPolarHBondContact CA-O 3.44Å; V14-V25 WeakPolarHBondContact CG1-O 3.44Å; Q15-V25 HydrophobicContact CB-CG2 3.76Å; Q15-V25 PolarHBondContact N-O 3.3Å; Q15-V25 PolarHBondContact O-N 2.97Å; R17-V25 HydrophobicContact CG-CG2 4.13Å; V25-Y41 HydrophobicContact CG2-CD1 4Å; V25-R42 WeakPolarHBondContact CA-O 3.36Å; V25-R43 HydrophobicContact CG1-CG 3.87Å
26Y94Very high86.4Confident4 Ų453.9 Ų53.92%0.01629%0.293CS..EExtended strand (participates in β ladder)trans-85.3133.2169.1-62.3-86.9000108.8V11 V14 Y41 R42 F47 A90 L94 I97V11-Y26 HydrophobicContact CG1-CD1 4.06Å; V11-Y26 HydrophobicContact CG1-CG 4.35Å; V14-Y26 HydrophobicContact CG1-CE1 4.4Å; V14-Y26 HydrophobicContact CG2-CD1 3.75Å; V14-Y26 HydrophobicContact CG2-CE1 3.62Å; Y26-Y41 WeakPolarHBondContact O-CA 3.39Å; Y26-R42 WeakPolarHBondContact CD2-O 3.45Å; Y26-R42 PolarHBondContact N-O 2.92Å; Y26-R42 PolarHBondContact O-N 3.24Å; Y26-F47 AromaticContact CD2-CE2 3.78Å; Y26-F47 HydrophobicContact CD2-CE2 3.78Å; Y26-F47 HydrophobicContact CD2-CZ 4.48Å; Y26-F47 HydrophobicContact CG-CE2 4.32Å; Y26-A90 WeakPolarHBondContact CE1-O 2.86Å; Y26-A90 WeakPolarHBondContact OH-CA 3.41Å; Y26-A90 PolarHBondContact OH-O 2.94Å; Y26-L94 HydrophobicContact CD1-CD1 4.21Å; Y26-I97 HydrophobicContact CD1-CD1 4.28Å; Y26-I97 HydrophobicContact CD2-CD1 4.23Å; Y26-I97 HydrophobicContact CE1-CD1 3.69Å; Y26-I97 HydrophobicContact CE2-CD1 3.65Å
27I94.9Very high86.7Confident30 Ų3054.4 Ų54.415%0.15430%0.302CS..EExtended strand (participates in β ladder)trans-85.2115.8171.4-49.6-176.4000107.1V11 Q12 D13 Q15 T39 Y41V11-I27 CarbonylContact C-O 3.53Å; V11-I27 WeakPolarHBondContact CA-O 3.49Å; Q12-I27 PolarHBondContact N-O 3.07Å; D13-I27 HydrophobicContact CB-CD1 4.36Å; D13-I27 PolarHBondContact O-N 3.21Å; Q15-I27 HydrophobicContact CB-CD1 4.13Å; Q15-I27 HydrophobicContact CB-CG1 4.13Å; I27-T39 HydrophobicContact CG2-CG2 3.58Å; I27-Y41 HydrophobicContact CB-CE1 4.49Å; I27-Y41 HydrophobicContact CD1-CE1 4.34Å; I27-Y41 HydrophobicContact CG1-CD1 4.12Å; I27-Y41 HydrophobicContact CG1-CE1 3.93Å; I27-Y41 HydrophobicContact CG2-CE1 4.17Å
28I96Very high87.1Confident0 Ų055.1 Ų55.10%031%0.306CS..EExtended strand (participates in β ladder)trans-119.6118.6-174.6-44.6174.6000108.3V9 T10 V11 V30 T39 I40 R42 F47 F120 F121V9-I28 HydrophobicContact CG1-CG2 3.39Å; T10-I28 WeakPolarHBondContact O-CA 3.31Å; V11-I28 HydrophobicContact CG1-CG1 4.44Å; V11-I28 HydrophobicContact CG2-CG1 4.31Å; V11-I28 HydrophobicContact CG2-CG2 4.27Å; I28-V30 HydrophobicContact CG2-CG2 4.16Å; I28-T39 CarbonylContact O-C 3.33Å; I28-T39 WeakPolarHBondContact O-CA 3.42Å; I28-I40 HydrophobicContact CB-CD1 4.45Å; I28-I40 HydrophobicContact CB-CG1 3.77Å; I28-I40 HydrophobicContact CD1-CD1 4.33Å; I28-I40 HydrophobicContact CD1-CG1 4.21Å; I28-I40 HydrophobicContact CG1-CG1 4.38Å; I28-I40 HydrophobicContact CG2-CG1 4.4Å; I28-I40 PolarHBondContact N-O 2.93Å; I28-I40 PolarHBondContact O-N 3.48Å; I28-R42 HydrophobicContact CD1-CB 3.97Å; I28-R42 HydrophobicContact CD1-CG 3.77Å; I28-F47 HydrophobicContact CD1-CE1 4.21Å; I28-F47 HydrophobicContact CD1-CE2 4.46Å; I28-F47 HydrophobicContact CD1-CZ 3.58Å; I28-F120 HydrophobicContact CD1-CE1 4.44Å; I28-F121 HydrophobicContact CG2-CE1 4.46Å
29K95.7Very high88.1Confident66 Ų6651.1 Ų51.129%0.28730%0.297SS..EExtended strand (participates in β ladder)trans-89.2128.7167.2-179.6178.4-179.6179.70109.1T10 Q12 T37 E38T10-K29 PolarHBondContact N-O 3.25Å; T10-K29 PolarHBondContact O-N 2.7Å; Q12-K29 HydrophobicContact CG-CB 4.49Å; K29-T37 VanDerWaalsContact CE-OG1 3.23Å; K29-T37 WeakPolarHBondContact CE-OG1 3.24Å; K29-T37 PolarHBondContact NZ-OG1 3.38Å; K29-E38 WeakPolarHBondContact CA-O 3.36Å
30V95.8Very high89.8Confident0 Ų047.8 Ų47.80%027%0.273CS..EExtended strand (participates in β ladder)trans-116.7129.7-179.4-177.40000108.1V6 I28 W32 T37 E38 I40 F121V6-V30 HydrophobicContact CG1-CG1 3.81Å; V6-V30 HydrophobicContact CG2-CG1 4Å; I28-V30 HydrophobicContact CG2-CG2 4.16Å; V30-W32 HydrophobicContact CG1-CD2 4.33Å; V30-W32 HydrophobicContact CG1-CZ2 4.13Å; V30-T37 CarbonylContact O-C 3.47Å; V30-T37 VanDerWaalsContact O-CA 3.25Å; V30-T37 WeakPolarHBondContact O-CA 3.35Å; V30-E38 PolarHBondContact N-O 2.83Å; V30-E38 PolarHBondContact O-N 2.86Å; V30-I40 HydrophobicContact CG2-CD1 3.88Å; V30-I40 HydrophobicContact CG2-CG1 4.14Å; V30-F121 HydrophobicContact CG1-CB 4.3Å; V30-F121 HydrophobicContact CG2-CB 4.42Å; V30-F121 HydrophobicContact CG2-CD1 3.83Å; V30-F121 HydrophobicContact CG2-CG 4.5Å
31S95.4Very high91.1Very high20 Ų2044.3 Ų44.314%0.1425%0.245CC..EExtended strand (participates in β ladder)trans-107.6122.5173.2-54.50000109Q7 E8Q7-S31 PolarHBondContact N-O 2.85Å; E8-S31 PolarHBondContact N-O 3.2Å; E8-S31 PolarHBondContact O-N 3.04Å
32W93.8Very high92.1Very high2 Ų240.3 Ų40.31%0.00822%0.223CC..EExtended strand (participates in β ladder)trans-96.4163.2-176.7-67.3104.5000112.8R4 T5 V6 V30 D34 G35 S36 E38 F121 E122R4-W32 HydrophobicContact CB-CE3 3.93Å; R4-W32 HydrophobicContact CG-CD2 4.11Å; R4-W32 HydrophobicContact CG-CE3 3.6Å; R4-W32 HydrophobicContact CG-CZ3 3.86Å; T5-W32 CarbonylContact O-C 3.57Å; T5-W32 WeakPolarHBondContact O-CA 3.48Å; V6-W32 HydrophobicContact CG2-CD2 4.49Å; V6-W32 HydrophobicContact CG2-CE3 3.87Å; V6-W32 HydrophobicContact CG2-CH2 3.75Å; V6-W32 HydrophobicContact CG2-CZ2 4.37Å; V6-W32 HydrophobicContact CG2-CZ3 3.47Å; V6-W32 VanDerWaalsContact CG2-CZ3 3.47Å; V30-W32 HydrophobicContact CG1-CD2 4.33Å; V30-W32 HydrophobicContact CG1-CZ2 4.13Å; W32-D34 VanDerWaalsContact CB-OD1 3.27Å; W32-D34 WeakPolarHBondContact CB-OD1 3.42Å; W32-D34 PolarHBondContact O-N 3.17Å; W32-D34 VanDerWaalsContact O-N 3.17Å; W32-G35 PolarHBondContact O-N 2.84Å; W32-S36 PolarHBondContact N-O 2.93Å; W32-E38 PolarHBondContact NE1-OE2 3.02Å; W32-F121 HydrophobicContact CH2-CB 4.24Å; W32-F121 HydrophobicContact CZ2-CB 4.39Å; W32-F121 WeakPolarHBondContact CZ2-O 3.43Å; W32-E122 HydrophobicContact CH2-CG 3.8Å; W32-E122 HydrophobicContact CZ2-CG 4.06Å
33S92Very high92.6Very high50 Ų5038.8 Ų38.835%0.3521%0.213SC..THydrogen-bonded Turntrans-64.1-14.5-180610000115.8R4 T5 G35R4-S33 WeakPolarHBondContact CA-OG 3.25Å; T5-S33 PolarHBondContact N-OG 2.84Å; T5-S33 WeakPolarHBondContact O-CB 3.49Å; T5-S33 PolarHBondContact O-N 2.91Å; T5-S33 WeakPolarHBondContact OG1-CB 3.43Å; S33-G35 VanDerWaalsContact C-N 3.35Å
34D90.9Very high93Very high98 Ų9838.8 Ų38.852%0.52421%0.212SC..THydrogen-bonded Turntrans-89.6-0.2173.752.427.4000112.8W32 S36W32-D34 VanDerWaalsContact CB-OD1 3.27Å; W32-D34 WeakPolarHBondContact CB-OD1 3.42Å; W32-D34 PolarHBondContact O-N 3.17Å; W32-D34 VanDerWaalsContact O-N 3.17Å; D34-S36 VanDerWaalsContact C-N 3.29Å; D34-S36 WeakPolarHBondContact OD1-CB 3.39Å; D34-S36 PolarHBondContact OD1-N 2.85Å; D34-S36 PolarHBondContact OD1-OG 3.05Å
35G89.3Confident92.9Very high63 Ų6339 Ų3965%0.64922%0.219SC*.SBendtrans83.1-2.7-175.900000114.3W32 S33W32-G35 PolarHBondContact O-N 2.84Å; S33-G35 VanDerWaalsContact C-N 3.35Å
36S92.2Very high92.8Very high40 Ų4043.2 Ų43.228%0.2824%0.237SC..  trans-68.4142.2172.169.50000110.6W32 D34W32-S36 PolarHBondContact N-O 2.93Å; D34-S36 VanDerWaalsContact C-N 3.29Å; D34-S36 WeakPolarHBondContact OD1-CB 3.39Å; D34-S36 PolarHBondContact OD1-N 2.85Å; D34-S36 PolarHBondContact OD1-OG 3.05Å
37T93.1Very high92.8Very high75 Ų7543 Ų4346%0.4624%0.236SC..EExtended strand (participates in β ladder)trans-123.1115.8171.976.50000110.5K29 V30K29-T37 VanDerWaalsContact CE-OG1 3.23Å; K29-T37 WeakPolarHBondContact CE-OG1 3.24Å; K29-T37 PolarHBondContact NZ-OG1 3.38Å; V30-T37 CarbonylContact O-C 3.47Å; V30-T37 VanDerWaalsContact O-CA 3.25Å; V30-T37 WeakPolarHBondContact O-CA 3.35Å
38E92.3Very high92.6Very high44 Ų4444.3 Ų44.321%0.20624%0.241CC..EExtended strand (participates in β ladder)trans-106.2161.4-177.6-60.7177.9158.800110.1R4 K29 V30 W32 T123R4-E38 IonicContact CZ-OE1 3.34Å; R4-E38 IonicContact CZ-OE2 2.7Å; R4-E38 VanDerWaalsContact NH1-CD 3.29Å; R4-E38 IonicContact NH1-OE1 2.66Å; R4-E38 PolarHBondContact NH1-OE1 2.93Å; R4-E38 IonicContact NH1-OE2 3.85Å; R4-E38 PolarHBondContact NH1-OE2 2.68Å; R4-E38 IonicContact NH2-OE1 3.56Å; R4-E38 PolarHBondContact NH2-OE1 3Å; R4-E38 IonicContact NH2-OE2 3.18Å; R4-E38 PolarHBondContact NH2-OE2 2.98Å; R4-E38 VanDerWaalsContact NH2-OE2 3.13Å; K29-E38 WeakPolarHBondContact CA-O 3.36Å; V30-E38 PolarHBondContact N-O 2.83Å; V30-E38 PolarHBondContact O-N 2.86Å; W32-E38 PolarHBondContact NE1-OE2 3.02Å; E38-T123 WeakPolarHBondContact CB-OG1 3.22Å; E38-T123 WeakPolarHBondContact OE2-CB 3.29Å; E38-T123 PolarHBondContact OE2-OG1 2.99Å
39T93.8Very high92.3Very high52 Ų5246.8 Ų46.832%0.31925%0.254SS..EExtended strand (participates in β ladder)trans-126.2122.6174.6-600000109.4I27 I28I27-T39 HydrophobicContact CG2-CG2 3.58Å; I28-T39 CarbonylContact O-C 3.33Å; I28-T39 WeakPolarHBondContact O-CA 3.42Å
40I94.9Very high92.2Very high0 Ų043.8 Ų43.80%024%0.241CC..EExtended strand (participates in β ladder)trans-121.1158.1-175.569.3176.3000111.1I28 V30 R42 F121 T123 D127I28-I40 HydrophobicContact CB-CD1 4.45Å; I28-I40 HydrophobicContact CB-CG1 3.77Å; I28-I40 HydrophobicContact CD1-CD1 4.33Å; I28-I40 HydrophobicContact CD1-CG1 4.21Å; I28-I40 HydrophobicContact CG1-CG1 4.38Å; I28-I40 HydrophobicContact CG2-CG1 4.4Å; I28-I40 PolarHBondContact N-O 2.93Å; I28-I40 PolarHBondContact O-N 3.48Å; V30-I40 HydrophobicContact CG2-CD1 3.88Å; V30-I40 HydrophobicContact CG2-CG1 4.14Å; I40-R42 HydrophobicContact CD1-CG 4.24Å; I40-R42 HydrophobicContact CG1-CG 4.46Å; I40-F121 HydrophobicContact CD1-CD1 4.01Å; I40-T123 HydrophobicContact CG2-CG2 4.44Å; I40-T123 VanDerWaalsContact CG2-OG1 3.28Å; I40-T123 WeakPolarHBondContact CG2-OG1 3.28Å; I40-D127 HydrophobicContact CG2-CB 4.41Å
41Y93.3Very high92.1Very high49 Ų4944.1 Ų44.119%0.19224%0.243CC..EExtended strand (participates in β ladder)trans-123.9116.3-175.6-57.5-95.5000110R17 V25 Y26 I27 D127 P130R17-Y41 VanDerWaalsContact NH2-CD1 3.3Å; V25-Y41 HydrophobicContact CG2-CD1 4Å; Y26-Y41 WeakPolarHBondContact O-CA 3.39Å; I27-Y41 HydrophobicContact CB-CE1 4.49Å; I27-Y41 HydrophobicContact CD1-CE1 4.34Å; I27-Y41 HydrophobicContact CG1-CD1 4.12Å; I27-Y41 HydrophobicContact CG1-CE1 3.93Å; I27-Y41 HydrophobicContact CG2-CE1 4.17Å; Y41-D127 HydrophobicContact CD2-CB 4.29Å; Y41-D127 PolarHBondContact N-OD1 3.28Å; Y41-P130 HydrophobicContact CE2-CB 4.28Å; Y41-P130 HydrophobicContact CE2-CG 4.47Å
42R93.3Very high91.8Very high10 Ų1047.1 Ų47.14%0.03826%0.255CS..EExtended strand (participates in β ladder)trans-126.2132.8-177.6-56.1-72170.9-96.91.3110.8V25 Y26 I28 I40 F47 F120 E122 D127V25-R42 WeakPolarHBondContact CA-O 3.36Å; Y26-R42 WeakPolarHBondContact CD2-O 3.45Å; Y26-R42 PolarHBondContact N-O 2.92Å; Y26-R42 PolarHBondContact O-N 3.24Å; I28-R42 HydrophobicContact CD1-CB 3.97Å; I28-R42 HydrophobicContact CD1-CG 3.77Å; I40-R42 HydrophobicContact CD1-CG 4.24Å; I40-R42 HydrophobicContact CG1-CG 4.46Å; R42-F47 HydrophobicContact CB-CE2 3.88Å; R42-F47 HydrophobicContact CB-CZ 4.27Å; R42-F120 HydrophobicContact CB-CE2 4.23Å; R42-F120 HydrophobicContact CB-CZ 3.96Å; R42-F120 HydrophobicContact CG-CE1 4.29Å; R42-F120 HydrophobicContact CG-CE2 3.99Å; R42-F120 HydrophobicContact CG-CZ 3.72Å; R42-F120 PolarHBondContact NE-O 2.82Å; R42-E122 PolarHBondContact NH2-O 3.02Å; R42-D127 IonicContact CZ-OD1 3.85Å; R42-D127 IonicContact CZ-OD2 2.65Å; R42-D127 VanDerWaalsContact CZ-OD2 3.26Å; R42-D127 IonicContact NH1-OD1 3.92Å; R42-D127 PolarHBondContact NH1-OD1 3.28Å; R42-D127 IonicContact NH1-OD2 2.71Å; R42-D127 PolarHBondContact NH1-OD2 3.26Å; R42-D127 IonicContact NH2-OD2 3.72Å; R42-D127 PolarHBondContact NH2-OD2 2.82Å
43R91.3Very high91.8Very high130 Ų13051.3 Ų51.349%0.49128%0.275SS..EExtended strand (participates in β ladder)trans-71.4152.8169.9-71.4-166.6-74.2171.1-5.7109.8V25 S45 K46 F47V25-R43 HydrophobicContact CG1-CG 3.87Å; R43-S45 PolarHBondContact O-N 3.43Å; R43-S45 VanDerWaalsContact O-N 3.15Å; R43-K46 PolarHBondContact O-N 3.07Å; R43-F47 WeakPolarHBondContact O-CD2 3.45Å
44Y89.6Confident91.8Very high36 Ų3648.9 Ų48.914%0.14126%0.258CS..Hα-helixtrans-51.3-38.8175.3173-95.2000112.9K46 F47 F48 L75 P76 K78 R93 I97Y44-K46 VanDerWaalsContact C-N 3.29Å; Y44-K46 PolarHBondContact O-N 3Å; Y44-F47 PolarHBondContact O-N 2.88Å; Y44-F47 VanDerWaalsContact O-N 3.12Å; Y44-F48 HydrophobicContact CE1-CB 4.48Å; Y44-F48 PolarHBondContact O-N 3.09Å; Y44-L75 HydrophobicContact CE2-CD2 4.17Å; Y44-L75 HydrophobicContact CE2-CG 4.33Å; Y44-P76 PolarHBondContact OH-O 2.73Å; Y44-K78 HydrophobicContact CE1-CG 4.25Å; Y44-R93 VanDerWaalsContact CZ-NH1 3.27Å; Y44-I97 HydrophobicContact CD2-CD1 3.99Å
45S87.1Confident91.9Very high46 Ų4645.5 Ų45.532%0.32224%0.24SC..Hα-helixtrans-55-41.9176.843.90000112.5R43 F47 F48 D49R43-S45 PolarHBondContact O-N 3.43Å; R43-S45 VanDerWaalsContact O-N 3.15Å; S45-F47 PolarHBondContact O-N 3.25Å; S45-F48 CarbonylContact O-C 3.58Å; S45-F48 WeakPolarHBondContact O-CA 3.35Å; S45-F48 WeakPolarHBondContact O-CB 3.45Å; S45-F48 PolarHBondContact O-N 2.88Å; S45-D49 VanDerWaalsContact O-CG 3.28Å; S45-D49 PolarHBondContact O-N 3.1Å
46K91.3Very high92Very high92 Ų9248.4 Ų48.440%0.424%0.241SC..Hα-helixtrans-68.1-18.7-179.7-68.4-44.4-165.5178.40114.8R43 Y44 D49 L50 F120R43-K46 PolarHBondContact O-N 3.07Å; Y44-K46 VanDerWaalsContact C-N 3.29Å; Y44-K46 PolarHBondContact O-N 3Å; K46-D49 HydrophobicContact CD-CB 4.42Å; K46-D49 WeakPolarHBondContact CD-OD2 3.42Å; K46-D49 WeakPolarHBondContact CE-OD2 3.29Å; K46-D49 IonicContact NZ-OD2 2.84Å; K46-D49 PolarHBondContact NZ-OD2 2.86Å; K46-L50 WeakPolarHBondContact O-CB 3.44Å; K46-L50 PolarHBondContact O-N 3.41Å; K46-F120 HydrophobicContact CB-CE2 4.08Å; K46-F120 WeakPolarHBondContact O-CE2 3.26Å
47F92.9Very high92Very high0 Ų051.4 Ų51.40%025%0.249CC..Hα-helixtrans-77.8-32.4166.4-62.9-95.5000112.3Y26 I28 R42 R43 Y44 S45 Q51 L75 I97 Y100 F120Y26-F47 AromaticContact CD2-CE2 3.78Å; Y26-F47 HydrophobicContact CD2-CE2 3.78Å; Y26-F47 HydrophobicContact CD2-CZ 4.48Å; Y26-F47 HydrophobicContact CG-CE2 4.32Å; I28-F47 HydrophobicContact CD1-CE1 4.21Å; I28-F47 HydrophobicContact CD1-CE2 4.46Å; I28-F47 HydrophobicContact CD1-CZ 3.58Å; R42-F47 HydrophobicContact CB-CE2 3.88Å; R42-F47 HydrophobicContact CB-CZ 4.27Å; R43-F47 WeakPolarHBondContact O-CD2 3.45Å; Y44-F47 PolarHBondContact O-N 2.88Å; Y44-F47 VanDerWaalsContact O-N 3.12Å; S45-F47 PolarHBondContact O-N 3.25Å; F47-Q51 VanDerWaalsContact O-CB 3.25Å; F47-Q51 WeakPolarHBondContact O-CB 3.01Å; F47-Q51 PolarHBondContact O-N 3.05Å; F47-L75 HydrophobicContact CB-CD1 3.63Å; F47-L75 HydrophobicContact CB-CD2 4.06Å; F47-L75 HydrophobicContact CG-CD1 4.45Å; F47-I97 HydrophobicContact CD1-CG2 3.99Å; F47-I97 HydrophobicContact CE1-CG2 3.43Å; F47-I97 VanDerWaalsContact CE1-CG2 3.43Å; F47-I97 HydrophobicContact CE2-CG2 4.06Å; F47-I97 HydrophobicContact CZ-CG2 3.44Å; F47-I97 VanDerWaalsContact CZ-CG2 3.44Å; F47-Y100 HydrophobicContact CD1-CD1 4.15Å; F47-Y100 HydrophobicContact CD1-CE1 4.19Å; F47-F120 HydrophobicContact CD1-CE1 4.17Å; F47-F120 HydrophobicContact CD1-CE2 4.42Å; F47-F120 AromaticContact CD1-CZ 3.58Å; F47-F120 HydrophobicContact CD1-CZ 3.58Å; F47-F120 HydrophobicContact CD2-CZ 4.22Å; F47-F120 AromaticContact CE1-CE1 3.91Å; F47-F120 HydrophobicContact CE1-CE1 3.91Å; F47-F120 AromaticContact CE1-CZ 3.53Å; F47-F120 HydrophobicContact CE1-CZ 3.53Å; F47-F120 HydrophobicContact CE2-CZ 4.19Å; F47-F120 HydrophobicContact CG-CE2 4.45Å; F47-F120 AromaticContact CG-CZ 3.96Å; F47-F120 HydrophobicContact CG-CZ 3.96Å; F47-F120 HydrophobicContact CZ-CE1 4.47Å; F47-F120 AromaticContact CZ-CZ 3.88Å; F47-F120 HydrophobicContact CZ-CZ 3.88Å
48F90.6Very high92.1Very high58 Ų5849.4 Ų49.425%0.25423%0.234SC..Hα-helixtrans-69.7-44.1175.6-178-94.6000111.2Y44 S45 Q51 M52 L75 K78Y44-F48 HydrophobicContact CE1-CB 4.48Å; Y44-F48 PolarHBondContact O-N 3.09Å; S45-F48 CarbonylContact O-C 3.58Å; S45-F48 WeakPolarHBondContact O-CA 3.35Å; S45-F48 WeakPolarHBondContact O-CB 3.45Å; S45-F48 PolarHBondContact O-N 2.88Å; F48-Q51 WeakPolarHBondContact O-CB 3.42Å; F48-Q51 PolarHBondContact O-N 2.99Å; F48-M52 HydrophobicContact CD1-CG 4.25Å; F48-M52 HydrophobicContact CD2-CE 4.41Å; F48-M52 HydrophobicContact CE1-CG 3.78Å; F48-M52 HydrophobicContact CE1-SD 4.14Å; F48-M52 HydrophobicContact CE2-CE 3.88Å; F48-M52 HydrophobicContact CE2-SD 4.14Å; F48-M52 HydrophobicContact CZ-CE 4.04Å; F48-M52 HydrophobicContact CZ-CG 3.94Å; F48-M52 HydrophobicContact CZ-SD 3.67Å; F48-M52 WeakPolarHBondContact O-CG 3.44Å; F48-M52 PolarHBondContact O-N 2.81Å; F48-L75 VanDerWaalsContact CA-CD2 3.48Å; F48-L75 HydrophobicContact CB-CD2 3.93Å; F48-L75 HydrophobicContact CD2-CD2 4.3Å; F48-K78 HydrophobicContact CE2-CD 4.49Å; F48-K78 VanDerWaalsContact CE2-CE 3.49Å
49D90.6Very high92Very high51 Ų5149.1 Ų49.127%0.27324%0.236SC..Hα-helixtrans-56.3-54.5175.2-56.91.9000110.3S45 K46 Q51 M52 E53S45-D49 VanDerWaalsContact O-CG 3.28Å; S45-D49 PolarHBondContact O-N 3.1Å; K46-D49 HydrophobicContact CD-CB 4.42Å; K46-D49 WeakPolarHBondContact CD-OD2 3.42Å; K46-D49 WeakPolarHBondContact CE-OD2 3.29Å; K46-D49 IonicContact NZ-OD2 2.84Å; K46-D49 PolarHBondContact NZ-OD2 2.86Å; D49-Q51 VanDerWaalsContact C-N 3.3Å; D49-Q51 PolarHBondContact O-N 3.24Å; D49-M52 PolarHBondContact O-N 2.81Å; D49-E53 WeakPolarHBondContact O-CG 3.27Å; D49-E53 PolarHBondContact O-N 2.81Å
50L93.8Very high91.9Very high4 Ų447.9 Ų47.92%0.02123%0.228CC..Hα-helixtrans-55.2-41.5174.3177.368.2000112.8K46 M52 E53 L54 L104 E116 F120K46-L50 WeakPolarHBondContact O-CB 3.44Å; K46-L50 PolarHBondContact O-N 3.41Å; L50-M52 VanDerWaalsContact C-N 3.29Å; L50-M52 PolarHBondContact O-N 2.9Å; L50-E53 PolarHBondContact O-N 3.19Å; L50-L54 HydrophobicContact CD1-CD1 3.99Å; L50-L54 HydrophobicContact CD1-CG 4.14Å; L50-L54 HydrophobicContact CD2-CD1 4.5Å; L50-L54 HydrophobicContact CG-CD1 3.86Å; L50-L54 HydrophobicContact CG-CG 4.4Å; L50-L54 WeakPolarHBondContact O-CB 3.36Å; L50-L54 VanDerWaalsContact O-CG 3.28Å; L50-L54 WeakPolarHBondContact O-CG 3.21Å; L50-L54 PolarHBondContact O-N 2.84Å; L50-L104 HydrophobicContact CD2-CD2 3.85Å; L50-E116 HydrophobicContact CD1-CB 4.01Å; L50-F120 HydrophobicContact CB-CD2 4.29Å; L50-F120 HydrophobicContact CD1-CB 4.25Å; L50-F120 HydrophobicContact CD2-CB 4Å; L50-F120 HydrophobicContact CD2-CD1 3.89Å; L50-F120 HydrophobicContact CD2-CD2 3.89Å; L50-F120 HydrophobicContact CD2-CE1 4.36Å; L50-F120 HydrophobicContact CD2-CE2 4.35Å; L50-F120 HydrophobicContact CD2-CG 3.64Å
51Q92.1Very high91.8Very high7 Ų749.6 Ų49.63%0.03324%0.236CC..Hα-helixtrans-63.3-34177.517669.280.500112.1F47 F48 D49 L55 P73 L75F47-Q51 VanDerWaalsContact O-CB 3.25Å; F47-Q51 WeakPolarHBondContact O-CB 3.01Å; F47-Q51 PolarHBondContact O-N 3.05Å; F48-Q51 WeakPolarHBondContact O-CB 3.42Å; F48-Q51 PolarHBondContact O-N 2.99Å; D49-Q51 VanDerWaalsContact C-N 3.3Å; D49-Q51 PolarHBondContact O-N 3.24Å; Q51-L55 HydrophobicContact CG-CD1 4.33Å; Q51-L55 WeakPolarHBondContact O-CG 3.4Å; Q51-L55 PolarHBondContact O-N 3.04Å; Q51-P73 PolarHBondContact OE1-O 3.35Å; Q51-L75 HydrophobicContact CB-CB 4.28Å; Q51-L75 HydrophobicContact CB-CD2 4.23Å; Q51-L75 HydrophobicContact CG-CB 3.97Å; Q51-L75 VanDerWaalsContact OE1-N 3.15Å
52M89.9Confident91.7Very high82 Ų8247.3 Ų47.340%0.40423%0.227SC..Hα-helixtrans-74.2-48.2176-60.7-59.390.200110.7F48 D49 L50 L54 L55 D56F48-M52 HydrophobicContact CD1-CG 4.25Å; F48-M52 HydrophobicContact CD2-CE 4.41Å; F48-M52 HydrophobicContact CE1-CG 3.78Å; F48-M52 HydrophobicContact CE1-SD 4.14Å; F48-M52 HydrophobicContact CE2-CE 3.88Å; F48-M52 HydrophobicContact CE2-SD 4.14Å; F48-M52 HydrophobicContact CZ-CE 4.04Å; F48-M52 HydrophobicContact CZ-CG 3.94Å; F48-M52 HydrophobicContact CZ-SD 3.67Å; F48-M52 WeakPolarHBondContact O-CG 3.44Å; F48-M52 PolarHBondContact O-N 2.81Å; D49-M52 PolarHBondContact O-N 2.81Å; L50-M52 VanDerWaalsContact C-N 3.29Å; L50-M52 PolarHBondContact O-N 2.9Å; M52-L54 VanDerWaalsContact C-N 3.27Å; M52-L54 PolarHBondContact O-N 2.88Å; M52-L55 HydrophobicContact CE-CD1 4Å; M52-L55 PolarHBondContact O-N 2.89Å; M52-L55 VanDerWaalsContact O-N 3.07Å; M52-D56 WeakPolarHBondContact O-CB 3.18Å; M52-D56 PolarHBondContact O-N 3.29Å
53E93.1Very high91.5Very high90 Ų9047.4 Ų47.442%0.42123%0.232SC..Hα-helixtrans-54.5-41.8176.6-69168.2-160.200112.1D49 L50 K57 E116D49-E53 WeakPolarHBondContact O-CG 3.27Å; D49-E53 PolarHBondContact O-N 2.81Å; L50-E53 PolarHBondContact O-N 3.19Å; E53-K57 WeakPolarHBondContact O-CB 3.39Å; E53-K57 WeakPolarHBondContact O-CD 3.48Å; E53-K57 WeakPolarHBondContact O-CG 3.42Å; E53-K57 PolarHBondContact O-N 3.48Å; E53-E116 HydrophobicContact CB-CG 4.49Å
54L93.1Very high91.2Very high0 Ų047.2 Ų47.20%024%0.236CC..Hα-helixtrans-69.7-35.9176.7-75.2172.3000113.8L50 M52 F58 I72 L104 I111 V117L50-L54 HydrophobicContact CD1-CD1 3.99Å; L50-L54 HydrophobicContact CD1-CG 4.14Å; L50-L54 HydrophobicContact CD2-CD1 4.5Å; L50-L54 HydrophobicContact CG-CD1 3.86Å; L50-L54 HydrophobicContact CG-CG 4.4Å; L50-L54 WeakPolarHBondContact O-CB 3.36Å; L50-L54 VanDerWaalsContact O-CG 3.28Å; L50-L54 WeakPolarHBondContact O-CG 3.21Å; L50-L54 PolarHBondContact O-N 2.84Å; M52-L54 VanDerWaalsContact C-N 3.27Å; M52-L54 PolarHBondContact O-N 2.88Å; L54-F58 HydrophobicContact CD2-CD2 4.05Å; L54-F58 HydrophobicContact CD2-CE2 4.01Å; L54-F58 WeakPolarHBondContact O-CB 3.29Å; L54-F58 PolarHBondContact O-N 3.13Å; L54-F58 VanDerWaalsContact O-N 3.08Å; L54-I72 HydrophobicContact CB-CD1 4.35Å; L54-L104 HydrophobicContact CD1-CD1 3.58Å; L54-I111 HydrophobicContact CD2-CG2 3.96Å; L54-V117 HydrophobicContact CD1-CG2 4.16Å; L54-V117 HydrophobicContact CD2-CG2 3.97Å
55L91.8Very high90.7Very high26 Ų2652.9 Ų52.914%0.13626%0.262CS..Hα-helixtrans-72.7-32.1176.9-71174.5000111.9Q51 M52 P59 Q64 I72Q51-L55 HydrophobicContact CG-CD1 4.33Å; Q51-L55 WeakPolarHBondContact O-CG 3.4Å; Q51-L55 PolarHBondContact O-N 3.04Å; M52-L55 HydrophobicContact CE-CD1 4Å; M52-L55 PolarHBondContact O-N 2.89Å; M52-L55 VanDerWaalsContact O-N 3.07Å; L55-P59 WeakPolarHBondContact O-CA 3.4Å; L55-Q64 PolarHBondContact O-NE2 3.21Å; L55-I72 HydrophobicContact CD2-CG2 4.14Å
56D91.3Very high90.6Very high124 Ų12453.8 Ų53.866%0.66326%0.263SS*.Hα-helixtrans-69.9-49.6175.2-177.468.5000112M52 F58 P59M52-D56 WeakPolarHBondContact O-CB 3.18Å; M52-D56 PolarHBondContact O-N 3.29Å; D56-F58 PolarHBondContact O-N 2.88Å; D56-P59 WeakPolarHBondContact O-CD 3.12Å
57K92.6Very high90.4Very high103 Ų10354.8 Ų54.845%0.44828%0.279SS..Hα-helixtrans-69.8-30.9-180-72.6162.6-177.7-88.70113.9E53 P59 E116E53-K57 WeakPolarHBondContact O-CB 3.39Å; E53-K57 WeakPolarHBondContact O-CD 3.48Å; E53-K57 WeakPolarHBondContact O-CG 3.42Å; E53-K57 PolarHBondContact O-N 3.48Å; K57-P59 VanDerWaalsContact C-CD 3.49Å; K57-P59 WeakPolarHBondContact O-CD 3.28Å; K57-E116 VanDerWaalsContact CD-CD 3.43Å; K57-E116 HydrophobicContact CD-CG 3.8Å; K57-E116 VanDerWaalsContact CE-CD 3.41Å; K57-E116 WeakPolarHBondContact CE-OE1 3.42Å; K57-E116 IonicContact NZ-OE1 2.73Å; K57-E116 PolarHBondContact NZ-OE1 2.7Å
58F94.6Very high90.3Very high33 Ų3364.4 Ų64.415%0.14532%0.321CS..  trans-127.567.2-177.2-55.5-75.1000110.8L54 D56 V60 E61 G62 I72 Y110 I111 C114L54-F58 HydrophobicContact CD2-CD2 4.05Å; L54-F58 HydrophobicContact CD2-CE2 4.01Å; L54-F58 WeakPolarHBondContact O-CB 3.29Å; L54-F58 PolarHBondContact O-N 3.13Å; L54-F58 VanDerWaalsContact O-N 3.08Å; D56-F58 PolarHBondContact O-N 2.88Å; F58-V60 PolarHBondContact O-N 2.94Å; F58-E61 HydrophobicContact CB-CB 4.11Å; F58-E61 PolarHBondContact O-N 2.81Å; F58-G62 PolarHBondContact O-N 3.18Å; F58-I72 HydrophobicContact CB-CD1 3.78Å; F58-Y110 HydrophobicContact CD1-CD2 4.3Å; F58-Y110 HydrophobicContact CD1-CE2 4.35Å; F58-Y110 AromaticContact CE1-CD2 3.86Å; F58-Y110 HydrophobicContact CE1-CD2 3.86Å; F58-Y110 HydrophobicContact CE1-CE2 4.36Å; F58-Y110 WeakPolarHBondContact CZ-O 3.42Å; F58-I111 HydrophobicContact CD1-CG1 4.35Å; F58-I111 HydrophobicContact CD2-CG2 3.97Å; F58-I111 HydrophobicContact CE1-CG1 4.34Å; F58-I111 HydrophobicContact CE2-CB 4.44Å; F58-I111 HydrophobicContact CE2-CG2 3.9Å; F58-I111 HydrophobicContact CG-CG1 4.46Å; F58-I111 HydrophobicContact CZ-CG1 4.41Å; F58-I111 HydrophobicContact CZ-CG2 4.49Å; F58-C114 HydrophobicContact CE2-CB 4.09Å; F58-C114 HydrophobicContact CZ-CB 3.98Å
59P92Very high90.2Very high38 Ų3868.2 Ų68.225%0.24733%0.333CS..THydrogen-bonded Turntrans-70.2-21.5-170.928.6-35.3000112.8L55 D56 K57 G63 Q64L55-P59 WeakPolarHBondContact O-CA 3.4Å; D56-P59 WeakPolarHBondContact O-CD 3.12Å; K57-P59 VanDerWaalsContact C-CD 3.49Å; K57-P59 WeakPolarHBondContact O-CD 3.28Å; P59-G63 PolarHBondContact O-N 3.39Å; P59-Q64 HydrophobicContact CB-CB 4.25Å; P59-Q64 HydrophobicContact CB-CG 4.15Å; P59-Q64 VanDerWaalsContact CB-OE1 3.31Å; P59-Q64 WeakPolarHBondContact O-CB 3.46Å; P59-Q64 PolarHBondContact O-N 3.07Å
60V91Very high90.4Very high26 Ų2668.7 Ų68.716%0.15833%0.331CS..THydrogen-bonded Turntrans-77.2-48.7176.7175.40000109.7F58 G62 G63 K65 R69F58-V60 PolarHBondContact O-N 2.94Å; V60-G62 VanDerWaalsContact C-N 3.29Å; V60-G62 PolarHBondContact O-N 3.45Å; V60-G63 WeakPolarHBondContact O-CA 3.16Å; V60-G63 PolarHBondContact O-N 2.8Å; V60-K65 HydrophobicContact CG2-CD 4.08Å; V60-K65 HydrophobicContact CG2-CG 4.49Å; V60-R69 HydrophobicContact CG1-CB 4.44Å
61E93.4Very high90.4Very high36 Ų3672.1 Ų72.117%0.16835%0.349CS..THydrogen-bonded Turntrans-75.9-19.7-179.7-62.165.6-141.800112.1F58 G63 R70 I71 I72 Y110 I111F58-E61 HydrophobicContact CB-CB 4.11Å; F58-E61 PolarHBondContact O-N 2.81Å; E61-G63 VanDerWaalsContact C-N 3.32Å; E61-R70 CarbonylContact O-C 3.49Å; E61-R70 VanDerWaalsContact O-CA 3.29Å; E61-R70 WeakPolarHBondContact O-CA 3.43Å; E61-I71 HydrophobicContact CB-CD1 4.09Å; E61-I71 HydrophobicContact CB-CG1 3.72Å; E61-I71 HydrophobicContact CG-CD1 3.94Å; E61-I71 HydrophobicContact CG-CG1 4.12Å; E61-I71 PolarHBondContact O-N 3.14Å; E61-I72 HydrophobicContact CB-CD1 4.15Å; E61-I72 HydrophobicContact CB-CG1 4.33Å; E61-I72 PolarHBondContact O-N 3.34Å; E61-Y110 HydrophobicContact CG-CE2 4.26Å; E61-I111 HydrophobicContact CB-CD1 3.94Å; E61-I111 HydrophobicContact CG-CD1 3.99Å
62G90.8Very high90.4Very high1 Ų171.8 Ų71.81%0.0135%0.347CS..THydrogen-bonded Turntrans-78.9-12.8165.300000114.2F58 V60 R70F58-G62 PolarHBondContact O-N 3.18Å; V60-G62 VanDerWaalsContact C-N 3.29Å; V60-G62 PolarHBondContact O-N 3.45Å; G62-R70 VanDerWaalsContact O-CD 3.28Å; G62-R70 WeakPolarHBondContact O-CD 3.32Å; G62-R70 WeakPolarHBondContact O-CG 3.28Å; G62-R70 PolarHBondContact O-NH1 3.08Å
63G89.6Confident90.6Very high13 Ų1368.8 Ų68.813%0.13433%0.334CS..THydrogen-bonded Turntrans72.824.3179.300000115.4P59 V60 E61 K65 D66P59-G63 PolarHBondContact O-N 3.39Å; V60-G63 WeakPolarHBondContact O-CA 3.16Å; V60-G63 PolarHBondContact O-N 2.8Å; E61-G63 VanDerWaalsContact C-N 3.32Å; G63-K65 VanDerWaalsContact C-N 3.32Å; G63-D66 VanDerWaalsContact CA-O 3.22Å; G63-D66 WeakPolarHBondContact CA-O 3.3Å
64Q84.3Confident90.4Very high126 Ų12672 Ų7259%0.58935%0.347SS*.SBendtrans-66.7-36.1173.5-57.7-174.6-1.600111.6L55 P59L55-Q64 PolarHBondContact O-NE2 3.21Å; P59-Q64 HydrophobicContact CB-CB 4.25Å; P59-Q64 HydrophobicContact CB-CG 4.15Å; P59-Q64 VanDerWaalsContact CB-OE1 3.31Å; P59-Q64 WeakPolarHBondContact O-CB 3.46Å; P59-Q64 PolarHBondContact O-N 3.07Å
65K78.7Confident90.3Very high154 Ų15473 Ų7367%0.6735%0.352SS*.SBendtrans-84.8-49173.7-56.1-163.1-176.7-172.80112V60 G63V60-K65 HydrophobicContact CG2-CD 4.08Å; V60-K65 HydrophobicContact CG2-CG 4.49Å; G63-K65 VanDerWaalsContact C-N 3.32Å
66D84.6Confident89.8Confident66 Ų6673 Ų7335%0.35335%0.354SS..  trans-129.8107.8-175.6-82.4-63.7000110.5G63 K68 R69G63-D66 VanDerWaalsContact CA-O 3.22Å; G63-D66 WeakPolarHBondContact CA-O 3.3Å; D66-K68 PolarHBondContact O-N 2.66Å; D66-R69 HydrophobicContact CB-CB 3.76Å; D66-R69 HydrophobicContact CB-CG 3.56Å; D66-R69 PolarHBondContact O-N 2.88Å; D66-R69 WeakPolarHBondContact OD2-CD 3.41Å; D66-R69 IonicContact OD2-NH1 2.66Å
67P87.9Confident88.8Confident112 Ų11269.6 Ų69.673%0.72735%0.348SS*.G310 helixtrans-56.5-25.9174.8-28.236.1000113.6
68K90.4Very high87.3Confident202 Ų20270.8 Ų70.888%0.87835%0.353SS*.G310 helixtrans-74.3-22.7175.7-62.1172.7-172.5160.40114.1D66D66-K68 PolarHBondContact O-N 2.66Å
69R88.3Confident85.6Confident138 Ų13871.9 Ų71.952%0.52136%0.36SS..G310 helixtrans-92.7-1.1178.8-63.718071.3173.9-1.1112.4V60 D66 I71V60-R69 HydrophobicContact CG1-CB 4.44Å; D66-R69 HydrophobicContact CB-CB 3.76Å; D66-R69 HydrophobicContact CB-CG 3.56Å; D66-R69 PolarHBondContact O-N 2.88Å; D66-R69 WeakPolarHBondContact OD2-CD 3.41Å; D66-R69 IonicContact OD2-NH1 2.66Å; R69-I71 PolarHBondContact O-N 2.92Å; R69-I71 VanDerWaalsContact O-N 3.1Å
70R94.2Very high83.7Confident62 Ų6278 Ų7823%0.23439%0.39CS..  trans-63.2113.4175.4-169.8171.6179.4126.9-5.9110.8E61 G62 I72 P73 F74E61-R70 CarbonylContact O-C 3.49Å; E61-R70 VanDerWaalsContact O-CA 3.29Å; E61-R70 WeakPolarHBondContact O-CA 3.43Å; G62-R70 VanDerWaalsContact O-CD 3.28Å; G62-R70 WeakPolarHBondContact O-CD 3.32Å; G62-R70 WeakPolarHBondContact O-CG 3.28Å; G62-R70 PolarHBondContact O-NH1 3.08Å; R70-I72 PolarHBondContact NE-O 2.88Å; R70-P73 PolarHBondContact NH2-O 3.29Å; R70-P73 VanDerWaalsContact NH2-O 3.17Å; R70-F74 VanDerWaalsContact CD-CZ 3.45Å
71I94.4Very high81.5Confident75 Ų7582.7 Ų82.739%0.38541%0.408SS..  trans-111.6-24.6168.658.7175.6000111.6E61 R69 L107 P108 I111E61-I71 HydrophobicContact CB-CD1 4.09Å; E61-I71 HydrophobicContact CB-CG1 3.72Å; E61-I71 HydrophobicContact CG-CD1 3.94Å; E61-I71 HydrophobicContact CG-CG1 4.12Å; E61-I71 PolarHBondContact O-N 3.14Å; R69-I71 PolarHBondContact O-N 2.92Å; R69-I71 VanDerWaalsContact O-N 3.1Å; I71-L107 HydrophobicContact CB-CD2 4.36Å; I71-L107 HydrophobicContact CG1-CD2 4.47Å; I71-L107 VanDerWaalsContact O-CD2 3.31Å; I71-L107 WeakPolarHBondContact O-CD2 3.44Å; I71-P108 HydrophobicContact CD1-CG 3.8Å; I71-I111 HydrophobicContact CD1-CD1 3.92Å; I71-I111 HydrophobicContact CG1-CD1 4.35Å
72I93.4Very high79.2Confident1 Ų189.1 Ų89.11%0.00543%0.431CS..SBendtrans-62.8123.5175.9-72.1169.9000109L54 L55 F58 E61 R70 L107 I111L54-I72 HydrophobicContact CB-CD1 4.35Å; L55-I72 HydrophobicContact CD2-CG2 4.14Å; F58-I72 HydrophobicContact CB-CD1 3.78Å; E61-I72 HydrophobicContact CB-CD1 4.15Å; E61-I72 HydrophobicContact CB-CG1 4.33Å; E61-I72 PolarHBondContact O-N 3.34Å; R70-I72 PolarHBondContact NE-O 2.88Å; I72-L107 HydrophobicContact CG1-CD1 3.98Å; I72-I111 HydrophobicContact CG1-CD1 4.37Å
73P93.1Very high77Confident19 Ų1994.1 Ų94.112%0.12345%0.449CS..PPolyproline II helixtrans-61.2163.7-174.722.8-32.8000112.3Q51 R70 Y100 A103Q51-P73 PolarHBondContact OE1-O 3.35Å; R70-P73 PolarHBondContact NH2-O 3.29Å; R70-P73 VanDerWaalsContact NH2-O 3.17Å; P73-Y100 HydrophobicContact CB-CD2 3.94Å; P73-Y100 HydrophobicContact CB-CE2 4.24Å; P73-Y100 HydrophobicContact CG-CD2 3.77Å; P73-Y100 HydrophobicContact CG-CE2 3.73Å; P73-A103 HydrophobicContact CB-CB 3.94Å; P73-A103 HydrophobicContact CG-CB 3.95Å
74F89.8Confident75.1Confident156 Ų15698 Ų9868%0.68448%0.475SS*.PPolyproline II helixtrans-90116.4173.2-70-90.2000109.4R70R70-F74 VanDerWaalsContact CD-CZ 3.45Å
75L89.9Confident73.9Confident21 Ų2196.6 Ų96.611%0.1147%0.468CS..PPolyproline II helixtrans-60.4136.7167.2-170.571.6000110.2Y44 F47 F48 Q51 G77 Y100Y44-L75 HydrophobicContact CE2-CD2 4.17Å; Y44-L75 HydrophobicContact CE2-CG 4.33Å; F47-L75 HydrophobicContact CB-CD1 3.63Å; F47-L75 HydrophobicContact CB-CD2 4.06Å; F47-L75 HydrophobicContact CG-CD1 4.45Å; F48-L75 VanDerWaalsContact CA-CD2 3.48Å; F48-L75 HydrophobicContact CB-CD2 3.93Å; F48-L75 HydrophobicContact CD2-CD2 4.3Å; Q51-L75 HydrophobicContact CB-CB 4.28Å; Q51-L75 HydrophobicContact CB-CD2 4.23Å; Q51-L75 HydrophobicContact CG-CB 3.97Å; Q51-L75 VanDerWaalsContact OE1-N 3.15Å; L75-G77 PolarHBondContact O-N 3.04Å; L75-G77 VanDerWaalsContact O-N 3.14Å; L75-Y100 HydrophobicContact CB-CD2 4.33Å; L75-Y100 HydrophobicContact CB-CE2 4.16Å; L75-Y100 HydrophobicContact CD1-CD1 3.89Å; L75-Y100 HydrophobicContact CD1-CD2 4.06Å; L75-Y100 HydrophobicContact CD1-CE1 3.99Å; L75-Y100 HydrophobicContact CD1-CE2 4.17Å; L75-Y100 HydrophobicContact CD1-CG 3.93Å
76P80.9Confident73.6Confident28 Ų2893.8 Ų93.818%0.18246%0.459CS..PPolyproline II helixtrans-61.4117179.1-20.832.6000110.9Y44 P96 I97Y44-P76 PolarHBondContact OH-O 2.73Å; P76-P96 HydrophobicContact CB-CB 3.88Å; P76-P96 HydrophobicContact CG-CB 3.29Å; P76-I97 HydrophobicContact CG-CG1 4.21Å
77G70.7Confident73.3Confident52 Ų5297.3 Ų97.354%0.53647%0.467SS..PPolyproline II helixtrans-55161.1-164.700000116.8L75 I79L75-G77 PolarHBondContact O-N 3.04Å; L75-G77 VanDerWaalsContact O-N 3.14Å; G77-I79 WeakPolarHBondContact O-CG1 3.23Å; G77-I79 PolarHBondContact O-N 3.04Å
78K60.8Low72.9Confident127 Ų12795.8 Ų95.855%0.55245%0.453SS*.  trans-63.190.4177.7-69.3-179.2-179.6174.90110.6Y44 F48 L80Y44-K78 HydrophobicContact CE1-CG 4.25Å; F48-K78 HydrophobicContact CE2-CD 4.49Å; F48-K78 VanDerWaalsContact CE2-CE 3.49Å; K78-L80 PolarHBondContact O-N 2.85Å; K78-L80 VanDerWaalsContact O-N 3.13Å
79I59.2Low72.5Confident57 Ų5786.6 Ų86.629%0.29241%0.414SS..  trans-68.3107.1177.1-45.9178.4000109.5G77 F81 R93G77-I79 WeakPolarHBondContact O-CG1 3.23Å; G77-I79 PolarHBondContact O-N 3.04Å; I79-F81 HydrophobicContact CG2-CD1 3.96Å; I79-F81 HydrophobicContact CG2-CD2 3.57Å; I79-F81 HydrophobicContact CG2-CE1 3.9Å; I79-F81 HydrophobicContact CG2-CE2 3.5Å; I79-F81 VanDerWaalsContact CG2-CE2 3.5Å; I79-F81 HydrophobicContact CG2-CG 3.8Å; I79-F81 HydrophobicContact CG2-CZ 3.66Å; I79-F81 PolarHBondContact O-N 2.88Å; I79-R93 HydrophobicContact CD1-CG 4.24Å; I79-R93 VanDerWaalsContact N-NH2 3.12Å
80L51.7Low72.4Confident167 Ų16780.3 Ų80.387%0.87439%0.392SS*.  trans-84.182.2176-63172000110.4K78K78-L80 PolarHBondContact O-N 2.85Å; K78-L80 VanDerWaalsContact O-N 3.13Å
81F45.8Very low71.9Confident123 Ų12381.2 Ų81.254%0.53940%0.4SS..  trans-108.7150.6169.4-69.4-25.8000110.7I79 V89I79-F81 HydrophobicContact CG2-CD1 3.96Å; I79-F81 HydrophobicContact CG2-CD2 3.57Å; I79-F81 HydrophobicContact CG2-CE1 3.9Å; I79-F81 HydrophobicContact CG2-CE2 3.5Å; I79-F81 VanDerWaalsContact CG2-CE2 3.5Å; I79-F81 HydrophobicContact CG2-CG 3.8Å; I79-F81 HydrophobicContact CG2-CZ 3.66Å; I79-F81 PolarHBondContact O-N 2.88Å; F81-V89 HydrophobicContact CB-CG2 4.43Å; F81-V89 HydrophobicContact CD2-CG2 3.67Å; F81-V89 HydrophobicContact CE2-CG2 4.46Å; F81-V89 HydrophobicContact CG-CG2 4.49Å
82R44.5Very low71.5Confident172 Ų17284.6 Ų84.665%0.64941%0.411SS*.  trans-58.6152.8175.5-71.2-127.8-109.2-138.8-7.4111.5S84 H85 S166R82-S84 PolarHBondContact O-N 3.2Å; R82-H85 PolarHBondContact O-N 3.12Å; R82-S166 PolarHBondContact NH1-O 2.86Å; R82-S166 PolarHBondContact NH1-OG 3.01Å
83R44.8Very low71.3Confident105 Ų10585.5 Ų85.540%0.39642%0.415SS..G310 helixtrans-52.3-25.2-161.2-56.2-179.6-173.4110.2-0.5115.6H85 T167 Q196R83-H85 VanDerWaalsContact C-N 3.35Å; R83-H85 PolarHBondContact O-N 3.17Å; R83-T167 PolarHBondContact NH2-O 2.77Å; R83-Q196 PolarHBondContact NH1-O 2.86Å
84S49.1Very low71.2Confident95 Ų9586.4 Ų86.466%0.66442%0.418SS*.G310 helixtrans-61.8-31.2-178.148.90000115.2R82R82-S84 PolarHBondContact O-N 3.2Å
85H59.1Low71.2Confident96 Ų9689.1 Ų89.144%0.44442%0.424SS..G310 helixtrans-98.615.5-171.6-72.4-68.2000115.4R82 R83 R87 D88 V89R82-H85 PolarHBondContact O-N 3.12Å; R83-H85 VanDerWaalsContact C-N 3.35Å; R83-H85 PolarHBondContact O-N 3.17Å; H85-R87 PolarHBondContact O-N 3.4Å; H85-R87 VanDerWaalsContact O-N 3.16Å; H85-D88 IonicContact CE1-OD2 3.95Å; H85-D88 IonicContact CG-OD2 3.7Å; H85-D88 IonicContact ND1-OD2 2.77Å; H85-D88 PolarHBondContact ND1-OD2 2.98Å; H85-D88 PolarHBondContact O-N 3.49Å; H85-V89 WeakPolarHBondContact O-CG2 3.41Å; H85-V89 PolarHBondContact O-N 3.26Å
86I73.3Confident71.3Confident95 Ų9590.9 Ų90.949%0.48744%0.437SS..Hα-helixtrans-56.9-33.8-176.3-174.159.2000113.8Y24 A90Y24-I86 HydrophobicContact CD2-CG1 4.14Å; Y24-I86 HydrophobicContact CE2-CG1 4.43Å; Y24-I86 HydrophobicContact CE2-CG2 4.1Å; I86-A90 PolarHBondContact O-N 3Å; I86-A90 VanDerWaalsContact O-N 3.14Å
87R78Confident71.9Confident140 Ų14089.6 Ų89.653%0.52843%0.428SS..Hα-helixtrans-63.8-50.1173.5-172.9-179.2-172.2-178.11.9111.6Y24 H85 V89 A90 M91Y24-R87 HydrophobicContact CE1-CB 4.34Å; Y24-R87 HydrophobicContact CE1-CG 4.01Å; Y24-R87 HydrophobicContact CE2-CB 4.36Å; Y24-R87 WeakPolarHBondContact OH-CB 3.28Å; H85-R87 PolarHBondContact O-N 3.4Å; H85-R87 VanDerWaalsContact O-N 3.16Å; R87-V89 VanDerWaalsContact C-N 3.32Å; R87-V89 PolarHBondContact O-N 2.65Å; R87-A90 PolarHBondContact O-N 2.93Å; R87-M91 HydrophobicContact CG-CE 4.3Å; R87-M91 HydrophobicContact CG-SD 4.08Å; R87-M91 WeakPolarHBondContact O-CG 3.23Å; R87-M91 PolarHBondContact O-N 2.82Å
88D78.8Confident73Confident80 Ų8088.3 Ų88.343%0.42841%0.409SS..Hα-helixtrans-69.5-34.7-175.7-49.3-35.1000110.8H85 K92H85-D88 IonicContact CE1-OD2 3.95Å; H85-D88 IonicContact CG-OD2 3.7Å; H85-D88 IonicContact ND1-OD2 2.77Å; H85-D88 PolarHBondContact ND1-OD2 2.98Å; H85-D88 PolarHBondContact O-N 3.49Å; D88-K92 WeakPolarHBondContact O-CB 3.49Å; D88-K92 PolarHBondContact O-N 3.43Å
89V82.2Confident74.6Confident10 Ų1088 Ų886%0.06141%0.41CS..Hα-helixtrans-58.6-47.5170167.30000110.7F81 H85 R87 R93F81-V89 HydrophobicContact CB-CG2 4.43Å; F81-V89 HydrophobicContact CD2-CG2 3.67Å; F81-V89 HydrophobicContact CE2-CG2 4.46Å; F81-V89 HydrophobicContact CG-CG2 4.49Å; H85-V89 WeakPolarHBondContact O-CG2 3.41Å; H85-V89 PolarHBondContact O-N 3.26Å; R87-V89 VanDerWaalsContact C-N 3.32Å; R87-V89 PolarHBondContact O-N 2.65Å; V89-R93 VanDerWaalsContact CG1-NH2 3.28Å; V89-R93 WeakPolarHBondContact O-CB 3.39Å; V89-R93 VanDerWaalsContact O-CG 3.27Å; V89-R93 WeakPolarHBondContact O-CG 3.38Å; V89-R93 PolarHBondContact O-N 2.72Å; V89-R93 VanDerWaalsContact O-N 3.07Å
90A85.7Confident76.3Confident6 Ų685.6 Ų85.65%0.0540%0.397CS..Hα-helixtrans-67.5-46.1-179.700000111.8V14 Y24 Y26 I86 R87 K92 R93 L94V14-A90 HydrophobicContact CG1-CB 3.76Å; Y24-A90 HydrophobicContact CG-CB 4.28Å; Y26-A90 WeakPolarHBondContact CE1-O 2.86Å; Y26-A90 WeakPolarHBondContact OH-CA 3.41Å; Y26-A90 PolarHBondContact OH-O 2.94Å; I86-A90 PolarHBondContact O-N 3Å; I86-A90 VanDerWaalsContact O-N 3.14Å; R87-A90 PolarHBondContact O-N 2.93Å; A90-K92 PolarHBondContact O-N 3.22Å; A90-R93 PolarHBondContact O-N 2.98Å; A90-R93 VanDerWaalsContact O-N 3.17Å; A90-L94 PolarHBondContact O-N 3.17Å
91M85.2Confident78.4Confident81 Ų8177.7 Ų77.740%0.39936%0.355SS..Hα-helixtrans-60.7-41.9175.3-71.7177161.300112.6R87 R93 L94R87-M91 HydrophobicContact CG-CE 4.3Å; R87-M91 HydrophobicContact CG-SD 4.08Å; R87-M91 WeakPolarHBondContact O-CG 3.23Å; R87-M91 PolarHBondContact O-N 2.82Å; M91-R93 VanDerWaalsContact C-N 3.27Å; M91-R93 PolarHBondContact O-N 2.95Å; M91-L94 WeakPolarHBondContact O-CB 3.38Å; M91-L94 PolarHBondContact O-N 3.41Å; M91-L94 VanDerWaalsContact O-N 3.13Å
92K86.3Confident80.8Confident145 Ų14576 Ų7663%0.6335%0.345SS*.Hα-helixtrans-66.1-28.3177-174.1174-178.3178.20112.6D88 A90 P96D88-K92 WeakPolarHBondContact O-CB 3.49Å; D88-K92 PolarHBondContact O-N 3.43Å; A90-K92 PolarHBondContact O-N 3.22Å; K92-P96 WeakPolarHBondContact O-CD 3.25Å
93R89.3Confident83.2Confident21 Ų2169.4 Ų69.48%0.07933%0.328CS..Hα-helixtrans-81.6-9.1173.8-70.9-179.7-162.4176.912113.9Y44 I79 V89 A90 M91 R95 P96 I97Y44-R93 VanDerWaalsContact CZ-NH1 3.27Å; I79-R93 HydrophobicContact CD1-CG 4.24Å; I79-R93 VanDerWaalsContact N-NH2 3.12Å; V89-R93 VanDerWaalsContact CG1-NH2 3.28Å; V89-R93 WeakPolarHBondContact O-CB 3.39Å; V89-R93 VanDerWaalsContact O-CG 3.27Å; V89-R93 WeakPolarHBondContact O-CG 3.38Å; V89-R93 PolarHBondContact O-N 2.72Å; V89-R93 VanDerWaalsContact O-N 3.07Å; A90-R93 PolarHBondContact O-N 2.98Å; A90-R93 VanDerWaalsContact O-N 3.17Å; M91-R93 VanDerWaalsContact C-N 3.27Å; M91-R93 PolarHBondContact O-N 2.95Å; R93-R95 PolarHBondContact O-N 2.97Å; R93-P96 WeakPolarHBondContact O-CD 3.26Å; R93-I97 HydrophobicContact CB-CD1 3.73Å; R93-I97 HydrophobicContact CB-CG1 4.29Å; R93-I97 WeakPolarHBondContact O-CB 3.33Å; R93-I97 VanDerWaalsContact O-CG1 3.27Å; R93-I97 WeakPolarHBondContact O-CG1 3.45Å; R93-I97 PolarHBondContact O-N 3.29Å
94L89.6Confident85.6Confident37 Ų3764.5 Ų64.519%0.19431%0.309CS..Hα-helixtrans-53.7-56.7-178.5-175.172.4000113V11 V14 Y26 A90 M91 I97 N98V11-L94 HydrophobicContact CB-CD1 4.47Å; V11-L94 HydrophobicContact CG1-CD1 3.7Å; V14-L94 HydrophobicContact CG2-CB 4.47Å; V14-L94 HydrophobicContact CG2-CD1 3.95Å; Y26-L94 HydrophobicContact CD1-CD1 4.21Å; A90-L94 PolarHBondContact O-N 3.17Å; M91-L94 WeakPolarHBondContact O-CB 3.38Å; M91-L94 PolarHBondContact O-N 3.41Å; M91-L94 VanDerWaalsContact O-N 3.13Å; L94-I97 PolarHBondContact O-N 2.88Å; L94-N98 WeakPolarHBondContact O-CB 3.33Å; L94-N98 PolarHBondContact O-N 3.16Å
95R89.9Confident87.8Confident214 Ų21461.3 Ų61.381%0.80829%0.285SS*.Hα-helixtrans-65.6-46.7179.8-52.4-173.9-174.2-161.92.2112.6R93 I97 N98 E99R93-R95 PolarHBondContact O-N 2.97Å; R95-I97 VanDerWaalsContact C-N 3.28Å; R95-I97 PolarHBondContact O-N 2.9Å; R95-N98 WeakPolarHBondContact O-CB 3.31Å; R95-N98 PolarHBondContact O-N 2.89Å; R95-E99 PolarHBondContact O-N 2.8Å
96P91.9Very high89.5Confident58 Ų5864.1 Ų64.138%0.37730%0.298SS..Hα-helixtrans-60.6-31.9176.9-28.538.8000114.5P76 K92 R93 Y100P76-P96 HydrophobicContact CB-CB 3.88Å; P76-P96 HydrophobicContact CG-CB 3.29Å; K92-P96 WeakPolarHBondContact O-CD 3.25Å; R93-P96 WeakPolarHBondContact O-CD 3.26Å; P96-Y100 WeakPolarHBondContact O-CB 3.36Å; P96-Y100 PolarHBondContact O-N 3.49Å
97I93.8Very high90.6Very high0 Ų060.5 Ų60.50%028%0.279CS..Hα-helixtrans-76.7-37.8174.6-67.9170000111.3V11 Y26 Y44 F47 P76 R93 L94 R95 E99 Y100 C101V11-I97 HydrophobicContact CG2-CG2 4.36Å; Y26-I97 HydrophobicContact CD1-CD1 4.28Å; Y26-I97 HydrophobicContact CD2-CD1 4.23Å; Y26-I97 HydrophobicContact CE1-CD1 3.69Å; Y26-I97 HydrophobicContact CE2-CD1 3.65Å; Y44-I97 HydrophobicContact CD2-CD1 3.99Å; F47-I97 HydrophobicContact CD1-CG2 3.99Å; F47-I97 HydrophobicContact CE1-CG2 3.43Å; F47-I97 VanDerWaalsContact CE1-CG2 3.43Å; F47-I97 HydrophobicContact CE2-CG2 4.06Å; F47-I97 HydrophobicContact CZ-CG2 3.44Å; F47-I97 VanDerWaalsContact CZ-CG2 3.44Å; P76-I97 HydrophobicContact CG-CG1 4.21Å; R93-I97 HydrophobicContact CB-CD1 3.73Å; R93-I97 HydrophobicContact CB-CG1 4.29Å; R93-I97 WeakPolarHBondContact O-CB 3.33Å; R93-I97 VanDerWaalsContact O-CG1 3.27Å; R93-I97 WeakPolarHBondContact O-CG1 3.45Å; R93-I97 PolarHBondContact O-N 3.29Å; L94-I97 PolarHBondContact O-N 2.88Å; R95-I97 VanDerWaalsContact C-N 3.28Å; R95-I97 PolarHBondContact O-N 2.9Å; I97-E99 VanDerWaalsContact C-N 3.28Å; I97-E99 PolarHBondContact O-N 2.77Å; I97-Y100 WeakPolarHBondContact O-CB 3.48Å; I97-Y100 PolarHBondContact O-N 3.14Å; I97-C101 PolarHBondContact O-N 3.4Å; I97-C101 PolarHBondContact O-SG 3.44Å
98N94.1Very high91.4Very high26 Ų2656.3 Ų56.314%0.13927%0.271CS..Hα-helixtrans-57.3-43.8171-177.583.9000111.8V11 L94 R95 C101 R102V11-N98 HydrophobicContact CB-CB 4.01Å; V11-N98 HydrophobicContact CG2-CB 4.16Å; V11-N98 PolarHBondContact N-OD1 3.46Å; L94-N98 WeakPolarHBondContact O-CB 3.33Å; L94-N98 PolarHBondContact O-N 3.16Å; R95-N98 WeakPolarHBondContact O-CB 3.31Å; R95-N98 PolarHBondContact O-N 2.89Å; N98-C101 PolarHBondContact O-N 2.85Å; N98-R102 WeakPolarHBondContact ND2-CD 3.36Å; N98-R102 PolarHBondContact ND2-NE 3.08Å; N98-R102 WeakPolarHBondContact O-CG 3.31Å; N98-R102 PolarHBondContact O-N 3.38Å; N98-R102 VanDerWaalsContact O-N 3.1Å
99E94.9Very high92.1Very high121 Ų12157 Ų5757%0.56528%0.277SS*.Hα-helixtrans-67.7-40.4178.2-154.866.8-17800111.9R95 I97 C101 R102 A103R95-E99 PolarHBondContact O-N 2.8Å; I97-E99 VanDerWaalsContact C-N 3.28Å; I97-E99 PolarHBondContact O-N 2.77Å; E99-C101 PolarHBondContact O-N 2.65Å; E99-R102 PolarHBondContact O-N 3.08Å; E99-A103 WeakPolarHBondContact O-CB 3.35Å; E99-A103 PolarHBondContact O-N 2.98Å
100Y95.4Very high92.6Very high6 Ų662.4 Ų62.42%0.02430%0.298CS..Hα-helixtrans-55.8-48.8171.9175.4-95.5000112.1F47 P73 L75 P96 I97 R102 A103 L104F47-Y100 HydrophobicContact CD1-CD1 4.15Å; F47-Y100 HydrophobicContact CD1-CE1 4.19Å; P73-Y100 HydrophobicContact CB-CD2 3.94Å; P73-Y100 HydrophobicContact CB-CE2 4.24Å; P73-Y100 HydrophobicContact CG-CD2 3.77Å; P73-Y100 HydrophobicContact CG-CE2 3.73Å; L75-Y100 HydrophobicContact CB-CD2 4.33Å; L75-Y100 HydrophobicContact CB-CE2 4.16Å; L75-Y100 HydrophobicContact CD1-CD1 3.89Å; L75-Y100 HydrophobicContact CD1-CD2 4.06Å; L75-Y100 HydrophobicContact CD1-CE1 3.99Å; L75-Y100 HydrophobicContact CD1-CE2 4.17Å; L75-Y100 HydrophobicContact CD1-CG 3.93Å; P96-Y100 WeakPolarHBondContact O-CB 3.36Å; P96-Y100 PolarHBondContact O-N 3.49Å; I97-Y100 WeakPolarHBondContact O-CB 3.48Å; I97-Y100 PolarHBondContact O-N 3.14Å; Y100-R102 VanDerWaalsContact C-N 3.34Å; Y100-R102 PolarHBondContact O-N 2.6Å; Y100-A103 PolarHBondContact O-N 2.92Å; Y100-L104 HydrophobicContact CE1-CD2 4.22Å; Y100-L104 VanDerWaalsContact O-CB 3.28Å; Y100-L104 WeakPolarHBondContact O-CB 3.25Å; Y100-L104 PolarHBondContact O-N 3.38Å
101C95.6Very high93Very high0 Ų062.1 Ų62.10%030%0.295CS..Hα-helixtrans-59.8-42.5177-66.30000112.7V9 I97 N98 E99 L104 I105 F121V9-C101 HydrophobicContact CB-CB 4.08Å; V9-C101 HydrophobicContact CG1-CB 3.61Å; I97-C101 PolarHBondContact O-N 3.4Å; I97-C101 PolarHBondContact O-SG 3.44Å; N98-C101 PolarHBondContact O-N 2.85Å; E99-C101 PolarHBondContact O-N 2.65Å; C101-L104 PolarHBondContact O-N 2.86Å; C101-I105 PolarHBondContact O-N 3.1Å; C101-F121 HydrophobicContact CB-CZ 4.33Å
102R95.1Very high93.5Very high88 Ų8859.1 Ų59.133%0.33228%0.282SS..Hα-helixtrans-69.6-40.9-179.1-75.1176.2165.9-159.1-16.5112.4E8 V9 N98 E99 Y100 L104 I105 Q106E8-R102 IonicContact OE1-NH2 3.08Å; V9-R102 PolarHBondContact O-NE 2.9Å; N98-R102 WeakPolarHBondContact ND2-CD 3.36Å; N98-R102 PolarHBondContact ND2-NE 3.08Å; N98-R102 WeakPolarHBondContact O-CG 3.31Å; N98-R102 PolarHBondContact O-N 3.38Å; N98-R102 VanDerWaalsContact O-N 3.1Å; E99-R102 PolarHBondContact O-N 3.08Å; Y100-R102 VanDerWaalsContact C-N 3.34Å; Y100-R102 PolarHBondContact O-N 2.6Å; R102-L104 VanDerWaalsContact C-N 3.34Å; R102-I105 WeakPolarHBondContact O-CG1 3.49Å; R102-Q106 WeakPolarHBondContact O-CB 3.34Å; R102-Q106 WeakPolarHBondContact O-CG 3.06Å; R102-Q106 PolarHBondContact O-N 3.02Å
103A95.8Very high93.8Very high34 Ų3456.7 Ų56.728%0.28127%0.273SS..Hα-helixtrans-63.9-40.1172.800000111.5P73 E99 Y100 Q106 L107P73-A103 HydrophobicContact CB-CB 3.94Å; P73-A103 HydrophobicContact CG-CB 3.95Å; E99-A103 WeakPolarHBondContact O-CB 3.35Å; E99-A103 PolarHBondContact O-N 2.98Å; Y100-A103 PolarHBondContact O-N 2.92Å; A103-Q106 PolarHBondContact O-N 2.83Å; A103-L107 WeakPolarHBondContact O-CG 3.44Å; A103-L107 PolarHBondContact O-N 2.79Å
104L95.4Very high94Very high1 Ų156.3 Ų56.31%0.00527%0.273CS..Hα-helixtrans-61.4-44.6-179.5-178.663000112.9L50 L54 Y100 C101 R102 Q106 L107 V117 F121L50-L104 HydrophobicContact CD2-CD2 3.85Å; L54-L104 HydrophobicContact CD1-CD1 3.58Å; Y100-L104 HydrophobicContact CE1-CD2 4.22Å; Y100-L104 VanDerWaalsContact O-CB 3.28Å; Y100-L104 WeakPolarHBondContact O-CB 3.25Å; Y100-L104 PolarHBondContact O-N 3.38Å; C101-L104 PolarHBondContact O-N 2.86Å; R102-L104 VanDerWaalsContact C-N 3.34Å; L104-Q106 VanDerWaalsContact C-N 3.29Å; L104-Q106 PolarHBondContact O-N 2.71Å; L104-L107 HydrophobicContact CD1-CD1 3.96Å; L104-L107 WeakPolarHBondContact O-CB 3.26Å; L104-L107 WeakPolarHBondContact O-CG 3.49Å; L104-L107 PolarHBondContact O-N 2.87Å; L104-V117 HydrophobicContact CD1-CG2 3.9Å; L104-V117 HydrophobicContact CD2-CG1 4.2Å; L104-V117 HydrophobicContact CD2-CG2 4.18Å; L104-V117 HydrophobicContact CG-CG1 4.23Å; L104-V117 HydrophobicContact CG-CG2 4.16Å; L104-F121 HydrophobicContact CD2-CE2 4.07Å; L104-F121 HydrophobicContact CD2-CZ 4.38Å
105I95.1Very high94.1Very high29 Ų2957.6 Ų57.615%0.14928%0.278CS..Hα-helixtrans-74.6-18.4176.966.2176.5000113.3V6 V9 C101 R102 L107 S112 F121V6-I105 HydrophobicContact CB-CG2 4.24Å; V6-I105 HydrophobicContact CG1-CG2 3.89Å; V9-I105 HydrophobicContact CB-CD1 4.33Å; V9-I105 HydrophobicContact CG2-CD1 4.14Å; V9-I105 HydrophobicContact CG2-CG2 3.98Å; C101-I105 PolarHBondContact O-N 3.1Å; R102-I105 WeakPolarHBondContact O-CG1 3.49Å; I105-L107 VanDerWaalsContact C-N 3.35Å; I105-S112 WeakPolarHBondContact O-CB 3.19Å; I105-F121 HydrophobicContact CG2-CE2 4.04Å
106Q95.3Very high94.3Very high155 Ų15549.2 Ų49.272%0.72425%0.248SC*.THydrogen-bonded Turntrans-86.4-3.1174.4-71.2173.422.300113.3R102 A103 L104R102-Q106 WeakPolarHBondContact O-CB 3.34Å; R102-Q106 WeakPolarHBondContact O-CG 3.06Å; R102-Q106 PolarHBondContact O-N 3.02Å; A103-Q106 PolarHBondContact O-N 2.83Å; L104-Q106 VanDerWaalsContact C-N 3.29Å; L104-Q106 PolarHBondContact O-N 2.71Å
107L94.9Very high94.4Very high18 Ų1846.4 Ų46.49%0.09423%0.23CC..SBendtrans-64.3159.1172.4-65.2-172.6000111.7I71 I72 A103 L104 I105 I111 S112I71-L107 HydrophobicContact CB-CD2 4.36Å; I71-L107 HydrophobicContact CG1-CD2 4.47Å; I71-L107 VanDerWaalsContact O-CD2 3.31Å; I71-L107 WeakPolarHBondContact O-CD2 3.44Å; I72-L107 HydrophobicContact CG1-CD1 3.98Å; A103-L107 WeakPolarHBondContact O-CG 3.44Å; A103-L107 PolarHBondContact O-N 2.79Å; L104-L107 HydrophobicContact CD1-CD1 3.96Å; L104-L107 WeakPolarHBondContact O-CB 3.26Å; L104-L107 WeakPolarHBondContact O-CG 3.49Å; L104-L107 PolarHBondContact O-N 2.87Å; I105-L107 VanDerWaalsContact C-N 3.35Å; L107-I111 HydrophobicContact CB-CB 4.09Å; L107-I111 HydrophobicContact CB-CD1 4.42Å; L107-I111 HydrophobicContact CD1-CB 4.15Å; L107-I111 HydrophobicContact CD1-CD1 4.17Å; L107-I111 HydrophobicContact CD1-CG2 3.7Å; L107-S112 WeakPolarHBondContact O-CB 3.25Å; L107-S112 PolarHBondContact O-OG 3.25Å
108P95.4Very high94.3Very high53 Ų5348.2 Ų48.234%0.34424%0.237SC..  trans-47.9144.6172.2-29.636.9000112.7I71 Y110 I111 S112I71-P108 HydrophobicContact CD1-CG 3.8Å; P108-Y110 HydrophobicContact CB-CD1 3.82Å; P108-Y110 HydrophobicContact CB-CE1 3.36Å; P108-Y110 HydrophobicContact CG-CE1 4.2Å; P108-Y110 PolarHBondContact O-N 3.48Å; P108-I111 PolarHBondContact O-N 3.08Å; P108-S112 PolarHBondContact O-N 3.33Å; P108-S112 PolarHBondContact O-OG 3.2Å
109V93.1Very high94.2Very high94 Ų9449.8 Ų49.857%0.5725%0.247SC*.Hα-helixtrans-48.8-37.3-171.3169.10000113.8I111 S112 Q113V109-I111 PolarHBondContact O-N 2.84Å; V109-S112 WeakPolarHBondContact CA-OG 3.37Å; V109-Q113 HydrophobicContact CG1-CG 4.25Å; V109-Q113 VanDerWaalsContact O-CB 3.31Å; V109-Q113 WeakPolarHBondContact O-CB 3.1Å; V109-Q113 PolarHBondContact O-N 2.99Å
110Y93.9Very high94.2Very high124 Ų12444.6 Ų44.649%0.48622%0.223SC..Hα-helixtrans-68.4-15.9179.563.6-97.2000114.4F58 E61 P108F58-Y110 HydrophobicContact CD1-CD2 4.3Å; F58-Y110 HydrophobicContact CD1-CE2 4.35Å; F58-Y110 AromaticContact CE1-CD2 3.86Å; F58-Y110 HydrophobicContact CE1-CD2 3.86Å; F58-Y110 HydrophobicContact CE1-CE2 4.36Å; F58-Y110 WeakPolarHBondContact CZ-O 3.42Å; E61-Y110 HydrophobicContact CG-CE2 4.26Å; P108-Y110 HydrophobicContact CB-CD1 3.82Å; P108-Y110 HydrophobicContact CB-CE1 3.36Å; P108-Y110 HydrophobicContact CG-CE1 4.2Å; P108-Y110 PolarHBondContact O-N 3.48Å
111I93.9Very high94.2Very high0 Ų044.3 Ų44.30%022%0.222CC..Hα-helixtrans-102.8-50172.3-40.6179.3000110.3L54 F58 E61 I71 I72 L107 P108 V109 Q113 C114L54-I111 HydrophobicContact CD2-CG2 3.96Å; F58-I111 HydrophobicContact CD1-CG1 4.35Å; F58-I111 HydrophobicContact CD2-CG2 3.97Å; F58-I111 HydrophobicContact CE1-CG1 4.34Å; F58-I111 HydrophobicContact CE2-CB 4.44Å; F58-I111 HydrophobicContact CE2-CG2 3.9Å; F58-I111 HydrophobicContact CG-CG1 4.46Å; F58-I111 HydrophobicContact CZ-CG1 4.41Å; F58-I111 HydrophobicContact CZ-CG2 4.49Å; E61-I111 HydrophobicContact CB-CD1 3.94Å; E61-I111 HydrophobicContact CG-CD1 3.99Å; I71-I111 HydrophobicContact CD1-CD1 3.92Å; I71-I111 HydrophobicContact CG1-CD1 4.35Å; I72-I111 HydrophobicContact CG1-CD1 4.37Å; L107-I111 HydrophobicContact CB-CB 4.09Å; L107-I111 HydrophobicContact CB-CD1 4.42Å; L107-I111 HydrophobicContact CD1-CB 4.15Å; L107-I111 HydrophobicContact CD1-CD1 4.17Å; L107-I111 HydrophobicContact CD1-CG2 3.7Å; P108-I111 PolarHBondContact O-N 3.08Å; V109-I111 PolarHBondContact O-N 2.84Å; I111-Q113 PolarHBondContact O-N 3.32Å; I111-C114 WeakPolarHBondContact O-CB 3.42Å; I111-C114 PolarHBondContact O-N 3.37Å; I111-C114 PolarHBondContact O-SG 2.92Å
112S94.3Very high94Very high17 Ų1746.7 Ų46.712%0.11923%0.233CC..Hα-helixtrans-68.1-17.5-175.950.40000113.7I105 L107 P108 V109I105-S112 WeakPolarHBondContact O-CB 3.19Å; L107-S112 WeakPolarHBondContact O-CB 3.25Å; L107-S112 PolarHBondContact O-OG 3.25Å; P108-S112 PolarHBondContact O-N 3.33Å; P108-S112 PolarHBondContact O-OG 3.2Å; V109-S112 WeakPolarHBondContact CA-OG 3.37Å
113Q92.6Very high93.9Very high94 Ų9443.9 Ų43.944%0.43923%0.226SC..THydrogen-bonded Turntrans-115.415.9172.4-50.6-177.98.600112.8T5 V109 I111T5-Q113 VanDerWaalsContact CG2-CD 3.48Å; T5-Q113 HydrophobicContact CG2-CG 3.95Å; V109-Q113 HydrophobicContact CG1-CG 4.25Å; V109-Q113 VanDerWaalsContact O-CB 3.31Å; V109-Q113 WeakPolarHBondContact O-CB 3.1Å; V109-Q113 PolarHBondContact O-N 2.99Å; I111-Q113 PolarHBondContact O-N 3.32Å
114C93.8Very high93.5Very high13 Ų1346.7 Ų46.79%0.08823%0.229CC..SBendtrans-67.1157.3172.186.40000110.8F58 I111 E116 V117 R118F58-C114 HydrophobicContact CE2-CB 4.09Å; F58-C114 HydrophobicContact CZ-CB 3.98Å; I111-C114 WeakPolarHBondContact O-CB 3.42Å; I111-C114 PolarHBondContact O-N 3.37Å; I111-C114 PolarHBondContact O-SG 2.92Å; C114-E116 PolarHBondContact O-N 2.67Å; C114-E116 PolarHBondContact SG-OE2 3.18Å; C114-V117 PolarHBondContact O-N 3.15Å; C114-R118 WeakPolarHBondContact O-CB 3.31Å; C114-R118 PolarHBondContact O-N 2.85Å
115E92.9Very high92.9Very high65 Ų6551.3 Ų51.330%0.30426%0.259SS..Hα-helixtrans-62.6-32.1-170.3-16860.8-156.900112.1R3 R118 V119R3-E115 IonicContact CZ-OE2 3.59Å; R3-E115 IonicContact NH1-OE2 2.76Å; R3-E115 PolarHBondContact NH1-OE2 2.68Å; R3-E115 IonicContact NH2-OE2 2.68Å; E115-R118 WeakPolarHBondContact O-CB 3.05Å; E115-R118 PolarHBondContact O-N 2.66Å; E115-R118 IonicContact OE1-CZ 3.24Å; E115-R118 IonicContact OE1-NE 3.42Å; E115-R118 PolarHBondContact OE1-NE 3.43Å; E115-R118 IonicContact OE1-NH2 3.13Å; E115-R118 PolarHBondContact OE1-NH2 2.68Å; E115-R118 IonicContact OE2-CZ 2.67Å; E115-R118 IonicContact OE2-NE 2.67Å; E115-R118 PolarHBondContact OE2-NE 2.69Å; E115-R118 IonicContact OE2-NH2 3.73Å; E115-V119 HydrophobicContact CG-CG2 4.16Å; E115-V119 VanDerWaalsContact O-CB 3.3Å; E115-V119 WeakPolarHBondContact O-CB 3.5Å; E115-V119 VanDerWaalsContact O-CG2 3.27Å; E115-V119 WeakPolarHBondContact O-CG2 3.35Å; E115-V119 PolarHBondContact O-N 3Å; E115-V119 WeakPolarHBondContact OE1-CG2 3.36Å
116E93.9Very high92.1Very high37 Ų3755 Ų5517%0.17328%0.276CS..Hα-helixtrans-70.3-45.2-177-59.369-15200111.3L50 E53 K57 C114 R118 F120L50-E116 HydrophobicContact CD1-CB 4.01Å; E53-E116 HydrophobicContact CB-CG 4.49Å; K57-E116 VanDerWaalsContact CD-CD 3.43Å; K57-E116 HydrophobicContact CD-CG 3.8Å; K57-E116 VanDerWaalsContact CE-CD 3.41Å; K57-E116 WeakPolarHBondContact CE-OE1 3.42Å; K57-E116 IonicContact NZ-OE1 2.73Å; K57-E116 PolarHBondContact NZ-OE1 2.7Å; C114-E116 PolarHBondContact O-N 2.67Å; C114-E116 PolarHBondContact SG-OE2 3.18Å; E116-R118 VanDerWaalsContact C-N 3.32Å; E116-F120 VanDerWaalsContact O-CB 3.29Å; E116-F120 WeakPolarHBondContact O-CB 3.4Å; E116-F120 PolarHBondContact O-N 2.9Å
117V93.9Very high91.6Very high0 Ų048 Ų480%024%0.243CC..Hα-helixtrans-64.2-41.1172.8178.20000110.3L54 L104 C114 F120 F121L54-V117 HydrophobicContact CD1-CG2 4.16Å; L54-V117 HydrophobicContact CD2-CG2 3.97Å; L104-V117 HydrophobicContact CD1-CG2 3.9Å; L104-V117 HydrophobicContact CD2-CG1 4.2Å; L104-V117 HydrophobicContact CD2-CG2 4.18Å; L104-V117 HydrophobicContact CG-CG1 4.23Å; L104-V117 HydrophobicContact CG-CG2 4.16Å; C114-V117 PolarHBondContact O-N 3.15Å; V117-F120 PolarHBondContact O-N 2.65Å; V117-F121 HydrophobicContact CG1-CD2 3.81Å; V117-F121 HydrophobicContact CG1-CE2 3.83Å; V117-F121 VanDerWaalsContact O-CD2 3.27Å; V117-F121 WeakPolarHBondContact O-CD2 3.35Å; V117-F121 PolarHBondContact O-N 3.21Å
118R91.8Very high90.8Very high37 Ų3753.8 Ų53.814%0.1427%0.274CS..Hα-helixtrans-60.4-53.2178.7-152.9-173.173.76219.5111.2C114 E115 E116 F120 F121 E122C114-R118 WeakPolarHBondContact O-CB 3.31Å; C114-R118 PolarHBondContact O-N 2.85Å; E115-R118 WeakPolarHBondContact O-CB 3.05Å; E115-R118 PolarHBondContact O-N 2.66Å; E115-R118 IonicContact OE1-CZ 3.24Å; E115-R118 IonicContact OE1-NE 3.42Å; E115-R118 PolarHBondContact OE1-NE 3.43Å; E115-R118 IonicContact OE1-NH2 3.13Å; E115-R118 PolarHBondContact OE1-NH2 2.68Å; E115-R118 IonicContact OE2-CZ 2.67Å; E115-R118 IonicContact OE2-NE 2.67Å; E115-R118 PolarHBondContact OE2-NE 2.69Å; E115-R118 IonicContact OE2-NH2 3.73Å; E116-R118 VanDerWaalsContact C-N 3.32Å; R118-F120 VanDerWaalsContact C-N 3.33Å; R118-F120 PolarHBondContact O-N 3.14Å; R118-F121 PolarHBondContact O-N 3.18Å; R118-E122 IonicContact CZ-OE1 2.69Å; R118-E122 IonicContact CZ-OE2 2.82Å; R118-E122 VanDerWaalsContact CZ-OE2 3.25Å; R118-E122 IonicContact NH1-OE1 3.88Å; R118-E122 PolarHBondContact NH1-OE1 3.09Å; R118-E122 IonicContact NH1-OE2 2.77Å; R118-E122 PolarHBondContact NH1-OE2 3.25Å; R118-E122 VanDerWaalsContact NH1-OE2 3.13Å; R118-E122 IonicContact NH2-OE1 2.69Å; R118-E122 IonicContact NH2-OE2 3.26Å; R118-E122 PolarHBondContact NH2-OE2 3.06Å; R118-E122 WeakPolarHBondContact O-CG 3.46Å; R118-E122 PolarHBondContact O-N 2.96Å
119V92.4Very high89.5Confident59 Ų5957.1 Ų57.136%0.35829%0.288SS..Hα-helixtrans-72.8-21.5-178.6170.80000113.1E115 R124E115-V119 HydrophobicContact CG-CG2 4.16Å; E115-V119 VanDerWaalsContact O-CB 3.3Å; E115-V119 WeakPolarHBondContact O-CB 3.5Å; E115-V119 VanDerWaalsContact O-CG2 3.27Å; E115-V119 WeakPolarHBondContact O-CG2 3.35Å; E115-V119 PolarHBondContact O-N 3Å; E115-V119 WeakPolarHBondContact OE1-CG2 3.36Å; V119-R124 PolarHBondContact O-NH2 2.95Å
120F94.8Very high88.2Confident12 Ų1254.4 Ų54.45%0.05327%0.272CS..Hα-helixtrans-69-45.2169.1179.2-95000112I28 R42 K46 F47 L50 E116 V117 R118I28-F120 HydrophobicContact CD1-CE1 4.44Å; R42-F120 HydrophobicContact CB-CE2 4.23Å; R42-F120 HydrophobicContact CB-CZ 3.96Å; R42-F120 HydrophobicContact CG-CE1 4.29Å; R42-F120 HydrophobicContact CG-CE2 3.99Å; R42-F120 HydrophobicContact CG-CZ 3.72Å; R42-F120 PolarHBondContact NE-O 2.82Å; K46-F120 HydrophobicContact CB-CE2 4.08Å; K46-F120 WeakPolarHBondContact O-CE2 3.26Å; F47-F120 HydrophobicContact CD1-CE1 4.17Å; F47-F120 HydrophobicContact CD1-CE2 4.42Å; F47-F120 AromaticContact CD1-CZ 3.58Å; F47-F120 HydrophobicContact CD1-CZ 3.58Å; F47-F120 HydrophobicContact CD2-CZ 4.22Å; F47-F120 AromaticContact CE1-CE1 3.91Å; F47-F120 HydrophobicContact CE1-CE1 3.91Å; F47-F120 AromaticContact CE1-CZ 3.53Å; F47-F120 HydrophobicContact CE1-CZ 3.53Å; F47-F120 HydrophobicContact CE2-CZ 4.19Å; F47-F120 HydrophobicContact CG-CE2 4.45Å; F47-F120 AromaticContact CG-CZ 3.96Å; F47-F120 HydrophobicContact CG-CZ 3.96Å; F47-F120 HydrophobicContact CZ-CE1 4.47Å; F47-F120 AromaticContact CZ-CZ 3.88Å; F47-F120 HydrophobicContact CZ-CZ 3.88Å; L50-F120 HydrophobicContact CB-CD2 4.29Å; L50-F120 HydrophobicContact CD1-CB 4.25Å; L50-F120 HydrophobicContact CD2-CB 4Å; L50-F120 HydrophobicContact CD2-CD1 3.89Å; L50-F120 HydrophobicContact CD2-CD2 3.89Å; L50-F120 HydrophobicContact CD2-CE1 4.36Å; L50-F120 HydrophobicContact CD2-CE2 4.35Å; L50-F120 HydrophobicContact CD2-CG 3.64Å; E116-F120 VanDerWaalsContact O-CB 3.29Å; E116-F120 WeakPolarHBondContact O-CB 3.4Å; E116-F120 PolarHBondContact O-N 2.9Å; V117-F120 PolarHBondContact O-N 2.65Å; R118-F120 VanDerWaalsContact C-N 3.33Å; R118-F120 PolarHBondContact O-N 3.14Å
121F94.8Very high86.5Confident0 Ų052.2 Ų52.20%027%0.274CS..Hα-helixtrans-84.1-18-179.2-71.9-57.9000114.5V6 V9 I28 V30 W32 I40 C101 L104 I105 V117 R118 T123V6-F121 HydrophobicContact CG2-CB 3.81Å; V6-F121 HydrophobicContact CG2-CD2 4.05Å; V6-F121 HydrophobicContact CG2-CG 4.14Å; V9-F121 HydrophobicContact CB-CE1 4.43Å; V9-F121 HydrophobicContact CG1-CE1 3.82Å; V9-F121 HydrophobicContact CG1-CZ 4.3Å; V9-F121 HydrophobicContact CG2-CD1 4.13Å; V9-F121 HydrophobicContact CG2-CE1 3.75Å; V9-F121 HydrophobicContact CG2-CE2 4.31Å; V9-F121 HydrophobicContact CG2-CZ 3.85Å; I28-F121 HydrophobicContact CG2-CE1 4.46Å; V30-F121 HydrophobicContact CG1-CB 4.3Å; V30-F121 HydrophobicContact CG2-CB 4.42Å; V30-F121 HydrophobicContact CG2-CD1 3.83Å; V30-F121 HydrophobicContact CG2-CG 4.5Å; W32-F121 HydrophobicContact CH2-CB 4.24Å; W32-F121 HydrophobicContact CZ2-CB 4.39Å; W32-F121 WeakPolarHBondContact CZ2-O 3.43Å; I40-F121 HydrophobicContact CD1-CD1 4.01Å; C101-F121 HydrophobicContact CB-CZ 4.33Å; L104-F121 HydrophobicContact CD2-CE2 4.07Å; L104-F121 HydrophobicContact CD2-CZ 4.38Å; I105-F121 HydrophobicContact CG2-CE2 4.04Å; V117-F121 HydrophobicContact CG1-CD2 3.81Å; V117-F121 HydrophobicContact CG1-CE2 3.83Å; V117-F121 VanDerWaalsContact O-CD2 3.27Å; V117-F121 WeakPolarHBondContact O-CD2 3.35Å; V117-F121 PolarHBondContact O-N 3.21Å; R118-F121 PolarHBondContact O-N 3.18Å; F121-T123 PolarHBondContact O-N 3.19Å
122E92.1Very high84.5Confident50 Ų5061.4 Ų61.423%0.23431%0.314CS..SBendtrans-60.3132.6171.9-84.8-172.9138.600112.3W32 R42 R118W32-E122 HydrophobicContact CH2-CG 3.8Å; W32-E122 HydrophobicContact CZ2-CG 4.06Å; R42-E122 PolarHBondContact NH2-O 3.02Å; R118-E122 IonicContact CZ-OE1 2.69Å; R118-E122 IonicContact CZ-OE2 2.82Å; R118-E122 VanDerWaalsContact CZ-OE2 3.25Å; R118-E122 IonicContact NH1-OE1 3.88Å; R118-E122 PolarHBondContact NH1-OE1 3.09Å; R118-E122 IonicContact NH1-OE2 2.77Å; R118-E122 PolarHBondContact NH1-OE2 3.25Å; R118-E122 VanDerWaalsContact NH1-OE2 3.13Å; R118-E122 IonicContact NH2-OE1 2.69Å; R118-E122 IonicContact NH2-OE2 3.26Å; R118-E122 PolarHBondContact NH2-OE2 3.06Å; R118-E122 WeakPolarHBondContact O-CG 3.46Å; R118-E122 PolarHBondContact O-N 2.96Å
123T92.1Very high82.6Confident29 Ų2964 Ų6418%0.17832%0.324CS..PPolyproline II helixtrans-67.1129.2176.4-630000111.1E38 I40 F121 D127 L128E38-T123 WeakPolarHBondContact CB-OG1 3.22Å; E38-T123 WeakPolarHBondContact OE2-CB 3.29Å; E38-T123 PolarHBondContact OE2-OG1 2.99Å; I40-T123 HydrophobicContact CG2-CG2 4.44Å; I40-T123 VanDerWaalsContact CG2-OG1 3.28Å; I40-T123 WeakPolarHBondContact CG2-OG1 3.28Å; F121-T123 PolarHBondContact O-N 3.19Å; T123-D127 HydrophobicContact CG2-CB 3.8Å; T123-L128 HydrophobicContact CG2-CD2 3.63Å; T123-L128 HydrophobicContact CG2-CG 3.78Å
124R87.8Confident79.9Confident94 Ų9467.4 Ų67.436%0.35534%0.34SS..PPolyproline II helixtrans-102164.2-178-60176.3-178.8-139.3-8.3110.8V119 E126 D127 L128V119-R124 PolarHBondContact O-NH2 2.95Å; R124-E126 VanDerWaalsContact CB-OE2 3.3Å; R124-E126 WeakPolarHBondContact CB-OE2 3.27Å; R124-E126 PolarHBondContact O-N 3.07Å; R124-D127 WeakPolarHBondContact CB-OD2 3.45Å; R124-D127 PolarHBondContact N-OD2 3.04Å; R124-D127 WeakPolarHBondContact O-CB 3.05Å; R124-D127 PolarHBondContact O-N 2.94Å; R124-L128 PolarHBondContact O-N 3.1Å
125P81.6Confident77.5Confident97 Ų9772.7 Ų72.763%0.6337%0.374SS*.Hα-helixtrans-53.2-36.9173.4-26.536000113.2D127 L128 N129P125-D127 PolarHBondContact O-N 2.92Å; P125-L128 PolarHBondContact O-N 3.01Å; P125-N129 PolarHBondContact O-N 3.21Å
126E78.9Confident75Confident107 Ų10776.9 Ų76.950%0.540%0.397SS..Hα-helixtrans-72.8-9177.7-41.877.7-121.200114.8R124R124-E126 VanDerWaalsContact CB-OE2 3.3Å; R124-E126 WeakPolarHBondContact CB-OE2 3.27Å; R124-E126 PolarHBondContact O-N 3.07Å
127D84.5Confident72.3Confident9 Ų978 Ų785%0.04842%0.419CS..Hα-helixtrans-93-35.8172.4-61.3-49.1000111.6I40 Y41 R42 T123 R124 P125I40-D127 HydrophobicContact CG2-CB 4.41Å; Y41-D127 HydrophobicContact CD2-CB 4.29Å; Y41-D127 PolarHBondContact N-OD1 3.28Å; R42-D127 IonicContact CZ-OD1 3.85Å; R42-D127 IonicContact CZ-OD2 2.65Å; R42-D127 VanDerWaalsContact CZ-OD2 3.26Å; R42-D127 IonicContact NH1-OD1 3.92Å; R42-D127 PolarHBondContact NH1-OD1 3.28Å; R42-D127 IonicContact NH1-OD2 2.71Å; R42-D127 PolarHBondContact NH1-OD2 3.26Å; R42-D127 IonicContact NH2-OD2 3.72Å; R42-D127 PolarHBondContact NH2-OD2 2.82Å; T123-D127 HydrophobicContact CG2-CB 3.8Å; R124-D127 WeakPolarHBondContact CB-OD2 3.45Å; R124-D127 PolarHBondContact N-OD2 3.04Å; R124-D127 WeakPolarHBondContact O-CB 3.05Å; R124-D127 PolarHBondContact O-N 2.94Å; P125-D127 PolarHBondContact O-N 2.92Å
128L79.4Confident70Confident139 Ų13988.3 Ų88.373%0.72846%0.463SS*.Hα-helixtrans-72.7-36.7179.7-67175.4000113T123 R124 P125 P130T123-L128 HydrophobicContact CG2-CD2 3.63Å; T123-L128 HydrophobicContact CG2-CG 3.78Å; R124-L128 PolarHBondContact O-N 3.1Å; P125-L128 PolarHBondContact O-N 3.01Å; L128-P130 VanDerWaalsContact C-CD 3.47Å; L128-P130 WeakPolarHBondContact O-CD 3.3Å
129N67.2Low67.5Low123 Ų12396.7 Ų96.766%0.65850%0.501SS*.SBendtrans-122.172176.4-168.916.1000110.5P125P125-N129 PolarHBondContact O-N 3.21Å
130P65.3Low65Low36 Ų36103.2 Ų103.223%0.23452%0.524CS..  trans-65.3133.3177.129.3-34.3000109.3Y41 L128 K132Y41-P130 HydrophobicContact CE2-CB 4.28Å; Y41-P130 HydrophobicContact CE2-CG 4.47Å; L128-P130 VanDerWaalsContact C-CD 3.47Å; L128-P130 WeakPolarHBondContact O-CD 3.3Å; P130-K132 PolarHBondContact O-N 2.78Å; P130-K132 VanDerWaalsContact O-N 3.1Å
131P58.6Low62.4Low79 Ų79108.4 Ų108.451%0.51356%0.562SS.*  trans-53121.3176.3-27.835.2000110.9E133P131-E133 PolarHBondContact O-N 2.93Å
132K51.6Low59.4Low192 Ų192112 Ų11284%0.83560%0.6SS**  trans-68.391.9-175.7-69.2-179179.9176.50110.4P130 E134P130-K132 PolarHBondContact O-N 2.78Å; P130-K132 VanDerWaalsContact O-N 3.1Å; K132-E134 PolarHBondContact O-N 3.47Å
133E54.5Low56.3Low72 Ų72117 Ų11734%0.33663%0.628SS.*  trans-76.199169.1-164.4178179.900108.7K16 R18 P131K16-E133 VanDerWaalsContact O-OE2 3.13Å; R18-E133 WeakPolarHBondContact CD-OE1 3.3Å; R18-E133 WeakPolarHBondContact CG-OE1 3.35Å; R18-E133 IonicContact CZ-OE1 3.74Å; R18-E133 IonicContact NE-OE1 3.74Å; R18-E133 PolarHBondContact NE-OE1 2.84Å; R18-E133 IonicContact NH2-OE1 2.72Å; P131-E133 PolarHBondContact O-N 2.93Å
134E37.1Very low54Low166 Ų166121.3 Ų121.378%0.77666%0.656SS**  trans-63.6137.9177.2-69.5-147.8132.100111.6K132 I136K132-E134 PolarHBondContact O-N 3.47Å; E134-I136 PolarHBondContact O-N 3.1Å
135P42.8Very low51.4Low123 Ų123123.2 Ų123.280%0.79968%0.678SS**  trans-75.4100.6-179.930.3-33.5000110.3G137P135-G137 PolarHBondContact O-N 2.9Å
136I39.8Very low49.1Very low154 Ų154123.7 Ų123.779%0.7968%0.684SS**  trans-55.2101.9175.4-82.3174.8000110.8E134E134-I136 PolarHBondContact O-N 3.1Å
137G38.3Very low47Very low61 Ų61123 Ų12363%0.62970%0.697SS**  trans-82.4146170.900000111P135 K139P135-G137 PolarHBondContact O-N 2.9Å; G137-K139 PolarHBondContact O-N 3.03Å
138K45.5Very low44.9Very low215 Ų215130.1 Ų130.194%0.93574%0.735SS**  trans-64.5121.6-177.7-58.6171.1-176.7174.60111.3
139K38.1Very low42.7Very low213 Ų213126.7 Ų126.793%0.92673%0.727SS**  trans-129.4158.5156.7-80.5-171175.4178.60110.3G137G137-K139 PolarHBondContact O-N 3.03Å
140K39.7Very low41.1Very low196 Ų196128.6 Ų128.685%0.85274%0.736SS**  trans-96.6152.3-179.5-61.4177.5175.6-179.90110.6
141S39.9Very low39.9Very low121 Ų121134.8 Ų134.885%0.84676%0.76SS**  trans42.8108.9145.159.50000119.3
142G32Very low39.6Very low77 Ų77134.9 Ų134.979%0.79476%0.756SS**  trans177.5140.116500000110.8
143D28.4Very low40.2Very low154 Ų154130.5 Ų130.582%0.82474%0.738SS**  trans-39.2152.8-166.7-88.7-53.8000120.6T145D143-T145 PolarHBondContact O-N 3.32Å
144P42.8Very low41.3Very low120 Ų120131.4 Ų131.478%0.77974%0.742SS**  trans-95.280.2174.838.6-32.6000113.3
145T34.3Very low43.5Very low133 Ų133124.3 Ų124.382%0.81671%0.709SS**  trans-137.663.4170.7-43.10000112.8D143D143-T145 PolarHBondContact O-N 3.32Å
146S32.7Very low45.6Very low107 Ų107120.1 Ų120.175%0.74868%0.68SS**  trans-161.389.4155-168.70000108.6D148S146-D148 VanDerWaalsContact C-N 3.34Å; S146-D148 PolarHBondContact O-N 3.4Å
147A35.5Very low47.9Very low94 Ų94112.8 Ų112.878%0.77764%0.643SS**  trans-94.352.2-171.500000112.7A149A147-A149 PolarHBondContact O-N 3.49Å
148D38.8Very low50.1Low157 Ų157112.6 Ų112.684%0.8463%0.63SS**  trans-7161.9155.4-83.8-30000109S146S146-D148 VanDerWaalsContact C-N 3.34Å; S146-D148 PolarHBondContact O-N 3.4Å
149A33.6Very low51.7Low68 Ų68105.2 Ų105.256%0.56260%0.602SS**  trans-68.3130.916700000107.6A147 F151A147-A149 PolarHBondContact O-N 3.49Å; A149-F151 PolarHBondContact O-N 2.88Å
150L34.8Very low54Low162 Ų162100.3 Ų100.385%0.84859%0.586SS**  trans-62.9103.3170.2-64.8170.6000107.4L152L150-L152 PolarHBondContact O-N 2.79Å
151F38.7Very low56.2Low167 Ų16792.2 Ų92.273%0.73255%0.55SS**  trans-53.9102.2179-89.8-108.6000109.8A149 E153A149-F151 PolarHBondContact O-N 2.88Å; F151-E153 PolarHBondContact O-N 3.13Å
152L53.1Low58.5Low81 Ų8193.9 Ų93.942%0.42455%0.545SS..  trans-71118.4151.3-74.2169.4000105.1L150 Q154 E178L150-L152 PolarHBondContact O-N 2.79Å; L152-Q154 PolarHBondContact O-N 2.96Å; L152-E178 HydrophobicContact CB-CB 4.19Å; L152-E178 HydrophobicContact CB-CG 4.29Å; L152-E178 HydrophobicContact CD1-CB 4.33Å; L152-E178 HydrophobicContact CD1-CG 4.43Å; L152-E178 VanDerWaalsContact CD1-OE2 3.3Å; L152-E178 WeakPolarHBondContact CD1-OE2 3.31Å
153E63.7Low61Low100 Ų10095.9 Ų95.947%0.46753%0.532SS..  trans-52115.3-176.6-150.1-178.9154.200108.8F151 Y155 V179 K182F151-E153 PolarHBondContact O-N 3.13Å; E153-Y155 HydrophobicContact CB-CE2 4Å; E153-Y155 HydrophobicContact CG-CE2 3.74Å; E153-Y155 WeakPolarHBondContact O-CD2 3.29Å; E153-Y155 PolarHBondContact OE1-OH 2.82Å; E153-V179 PolarHBondContact O-N 2.71Å; E153-K182 IonicContact OE1-NZ 3Å; E153-K182 PolarHBondContact OE1-NZ 2.79Å; E153-K182 IonicContact OE2-NZ 2.65Å; E153-K182 PolarHBondContact OE2-NZ 3.01Å
154Q77.6Confident63Low91 Ų9196.9 Ų96.943%0.42553%0.531SS..EExtended strand (participates in β ladder)trans-94.7124.2-166.8-172.3169.261.200109.7L152 T176 Q207L152-Q154 PolarHBondContact O-N 2.96Å; Q154-T176 VanDerWaalsContact CD-CG2 3.42Å; Q154-T176 HydrophobicContact CG-CG2 3.31Å; Q154-Q207 PolarHBondContact O-N 3.03Å
155Y83.2Confident64.1Low17 Ų1796.6 Ų96.67%0.06752%0.52CS..EExtended strand (participates in β ladder)trans-117.6145.5-174.4-82.2-98.7000110.7E153 T176 V177 V179 K182 W188 L204 E205 A206E153-Y155 HydrophobicContact CB-CE2 4Å; E153-Y155 HydrophobicContact CG-CE2 3.74Å; E153-Y155 WeakPolarHBondContact O-CD2 3.29Å; E153-Y155 PolarHBondContact OE1-OH 2.82Å; Y155-T176 CarbonylContact O-C 3.57Å; Y155-T176 WeakPolarHBondContact O-CA 3.48Å; Y155-V177 PolarHBondContact N-O 3.21Å; Y155-V177 PolarHBondContact O-N 3.26Å; Y155-V179 HydrophobicContact CD2-CB 4.18Å; Y155-V179 HydrophobicContact CD2-CG2 3.28Å; Y155-V179 HydrophobicContact CE2-CB 4.5Å; Y155-V179 HydrophobicContact CE2-CG2 3.9Å; Y155-V179 HydrophobicContact CG-CG2 3.74Å; Y155-K182 PolarHBondContact OH-NZ 2.88Å; Y155-W188 AromaticContact CD1-CZ3 3.78Å; Y155-W188 HydrophobicContact CD1-CZ3 3.78Å; Y155-W188 AromaticContact CE1-CH2 3.95Å; Y155-W188 HydrophobicContact CE1-CH2 3.95Å; Y155-W188 AromaticContact CE1-CZ3 3.42Å; Y155-W188 HydrophobicContact CE1-CZ3 3.42Å; Y155-W188 VanDerWaalsContact CE1-CZ3 3.42Å; Y155-W188 HydrophobicContact CE2-CZ3 4.29Å; Y155-W188 HydrophobicContact CG-CZ3 4.4Å; Y155-W188 AromaticContact CZ-CZ3 3.7Å; Y155-L204 HydrophobicContact CD1-CB 4.01Å; Y155-L204 HydrophobicContact CG-CB 4.47Å; Y155-E205 WeakPolarHBondContact CA-O 3.42Å; Y155-E205 WeakPolarHBondContact CD1-O 3.25Å; Y155-A206 HydrophobicContact CD1-CB 4.31Å; Y155-A206 VanDerWaalsContact CE1-CA 3.48Å; Y155-A206 HydrophobicContact CE1-CB 3.65Å; Y155-A206 VanDerWaalsContact CE1-N 3.35Å
156V87.7Confident65.8Low34 Ų3494.8 Ų94.821%0.20651%0.512CS..EExtended strand (participates in β ladder)trans-103.8132.4172.8-179.50000108.4V158 E205 Q207V156-V158 PolarHBondContact O-N 3.35Å; V156-E205 PolarHBondContact N-O 3.14Å; V156-E205 PolarHBondContact O-N 3.04Å; V156-Q207 HydrophobicContact CG2-CB 4.28Å; V156-Q207 HydrophobicContact CG2-CG 4.29Å
157A87.5Confident68Low0 Ų091.9 Ų91.90%049%0.49CS..EExtended strand (participates in β ladder)trans-67.5118.6171.300000110.2L171 H172 V173 G174 Q175 C203 L204A157-L171 HydrophobicContact CB-CB 3.9Å; A157-L171 HydrophobicContact CB-CD1 3.94Å; A157-H172 WeakPolarHBondContact CB-O 3.39Å; A157-V173 CarbonylContact O-C 3.56Å; A157-V173 WeakPolarHBondContact O-CA 3.33Å; A157-G174 PolarHBondContact O-N 3.17Å; A157-Q175 HydrophobicContact CB-CB 4.36Å; A157-Q175 WeakPolarHBondContact CB-O 3.31Å; A157-Q175 PolarHBondContact N-O 3.22Å; A157-C203 CarbonylContact C-O 3.57Å; A157-C203 VanDerWaalsContact CA-O 3.26Å; A157-C203 WeakPolarHBondContact CA-O 3.27Å; A157-L204 HydrophobicContact CB-CD2 4.44Å
158V84.9Confident70.4Confident58 Ų5888.8 Ų88.835%0.35246%0.46SS..  trans-97.1-10.8-178.7-72.10000113.4V156 C203 E205V156-V158 PolarHBondContact O-N 3.35Å; V158-C203 PolarHBondContact N-O 3.29Å; V158-E205 HydrophobicContact CB-CB 4.48Å; V158-E205 HydrophobicContact CG1-CB 3.48Å; V158-E205 VanDerWaalsContact CG1-CB 3.48Å; V158-E205 HydrophobicContact CG2-CB 4.18Å
159T79.1Confident72.7Confident59 Ų5981.7 Ų81.736%0.36242%0.422SS..SBendtrans-133.4141172.3610000109.9Y161 C203T159-Y161 PolarHBondContact O-N 3.45Å; T159-C203 WeakPolarHBondContact OG1-CA 3.41Å; T159-C203 VanDerWaalsContact OG1-CB 3.29Å; T159-C203 WeakPolarHBondContact OG1-CB 3.37Å; T159-C203 PolarHBondContact OG1-SG 3.02Å
160D86.9Confident75.2Confident111 Ų11180 Ų8059%0.59441%0.406SS*.  trans-58.4132.8165.4-62.4-50.2000109.2H172 V173D160-H172 WeakPolarHBondContact OD1-CA 3.42Å; D160-V173 VanDerWaalsContact N-CG2 3.34Å; D160-V173 PolarHBondContact OD1-N 2.73Å
161Y85.5Confident77.7Confident25 Ų2572.4 Ų72.410%0.09837%0.366CS..BIsolated β-bridgetrans-134.7120.8179.4178-103000108.9T159 E168 I169 S170 L171 W187 V199 P200T159-Y161 PolarHBondContact O-N 3.45Å; Y161-E168 PolarHBondContact OH-OE1 2.95Å; Y161-E168 PolarHBondContact OH-OE2 3.41Å; Y161-I169 WeakPolarHBondContact CD1-O 3.41Å; Y161-S170 CarbonylContact O-C 3.58Å; Y161-S170 WeakPolarHBondContact O-CA 3.49Å; Y161-S170 WeakPolarHBondContact O-CB 3.46Å; Y161-L171 PolarHBondContact N-O 3Å; Y161-L171 PolarHBondContact O-N 3.35Å; Y161-L171 VanDerWaalsContact O-O 3.12Å; Y161-W187 WeakPolarHBondContact OH-CH2 3.5Å; Y161-W187 WeakPolarHBondContact OH-CZ3 3.28Å; Y161-V199 HydrophobicContact CD1-CB 4.44Å; Y161-V199 HydrophobicContact CD1-CG1 3.96Å; Y161-V199 HydrophobicContact CD1-CG2 4.17Å; Y161-V199 HydrophobicContact CE1-CG1 4.46Å; Y161-V199 HydrophobicContact CE1-CG2 4.36Å; Y161-V199 HydrophobicContact CG-CG1 4.28Å; Y161-P200 HydrophobicContact CD2-CG 4.12Å; Y161-P200 VanDerWaalsContact CE2-CD 3.47Å; Y161-P200 HydrophobicContact CE2-CG 3.71Å
162E87.4Confident80Confident156 Ų15670.1 Ų70.173%0.72936%0.357SS*.  trans-101127.9174.5-173.6169.6-152.800110.1Q164E162-Q164 PolarHBondContact O-N 3.01Å
163K85.7Confident81.6Confident120 Ų12070.4 Ų70.452%0.52236%0.362SS..  trans-59.4129.1176.772.5-161179-1590111.2E168 S170K163-E168 HydrophobicContact CB-CB 3.69Å; K163-S170 WeakPolarHBondContact CG-OG 3.18Å; K163-S170 PolarHBondContact N-OG 3.29Å; K163-S170 VanDerWaalsContact N-OG 3.11Å
164Q69.4Low82.2Confident174 Ų17467.8 Ų67.881%0.81336%0.362SS*.  trans-95.5-33.3174.4-57.3-177.811.100110E162 E168E162-Q164 PolarHBondContact O-N 3.01Å; Q164-E168 WeakPolarHBondContact CA-OE2 3.34Å; Q164-E168 PolarHBondContact N-OE2 2.98Å
165E65.1Low82.5Confident115 Ų11565.7 Ų65.754%0.53735%0.352SS..SBendtrans-106.3160.1176.2-72.9-154.5166.700115.1T167 E168E165-T167 WeakPolarHBondContact CB-OG1 3.43Å; E165-T167 PolarHBondContact O-N 3.34Å; E165-T167 VanDerWaalsContact O-N 3.11Å; E165-T167 WeakPolarHBondContact OE2-CG2 3.38Å; E165-T167 PolarHBondContact OE2-OG1 2.91Å; E165-E168 HydrophobicContact CB-CG 4.23Å; E165-E168 PolarHBondContact N-OE2 3.47Å; E165-E168 PolarHBondContact O-N 3.17Å
166S70.3Confident82.6Confident94 Ų9467.4 Ų67.466%0.65737%0.365SS*.THydrogen-bonded Turntrans-74.610.7169.482.60000114.7R82R82-S166 PolarHBondContact NH1-O 2.86Å; R82-S166 PolarHBondContact NH1-OG 3.01Å
167T79.2Confident82.5Confident46 Ų4666 Ų6628%0.28236%0.356SS..THydrogen-bonded Turntrans-106.5-19.1177.9580000112.2R83 E165 G197 W198R83-T167 PolarHBondContact NH2-O 2.77Å; E165-T167 WeakPolarHBondContact CB-OG1 3.43Å; E165-T167 PolarHBondContact O-N 3.34Å; E165-T167 VanDerWaalsContact O-N 3.11Å; E165-T167 WeakPolarHBondContact OE2-CG2 3.38Å; E165-T167 PolarHBondContact OE2-OG1 2.91Å; T167-G197 WeakPolarHBondContact O-CA 3.27Å; T167-W198 PolarHBondContact O-N 2.89Å
168E86.4Confident82.3Confident29 Ų2970 Ų7014%0.13638%0.375CS..BIsolated β-bridgetrans-96.3174.8-175.9-70.7165-179.100112.6Y161 K163 Q164 E165 W187 W198Y161-E168 PolarHBondContact OH-OE1 2.95Å; Y161-E168 PolarHBondContact OH-OE2 3.41Å; K163-E168 HydrophobicContact CB-CB 3.69Å; Q164-E168 WeakPolarHBondContact CA-OE2 3.34Å; Q164-E168 PolarHBondContact N-OE2 2.98Å; E165-E168 HydrophobicContact CB-CG 4.23Å; E165-E168 PolarHBondContact N-OE2 3.47Å; E165-E168 PolarHBondContact O-N 3.17Å; E168-W187 HydrophobicContact CG-CZ3 4.2Å; E168-W187 WeakPolarHBondContact OE1-CH2 3.41Å; E168-W198 VanDerWaalsContact CA-O 3.3Å; E168-W198 WeakPolarHBondContact CA-O 3.35Å; E168-W198 WeakPolarHBondContact CB-O 3.45Å; E168-W198 HydrophobicContact CG-CB 4.14Å
169I86.1Confident82.2Confident9 Ų967.8 Ų67.85%0.04636%0.362CS..  trans-135.5139177.1-180178.8000109.4Y161 L171 V190 A195 W198 V199Y161-I169 WeakPolarHBondContact CD1-O 3.41Å; I169-L171 HydrophobicContact CD1-CD2 4.02Å; I169-L171 HydrophobicContact CG1-CD2 4.16Å; I169-L171 HydrophobicContact CG2-CD2 4.33Å; I169-V190 HydrophobicContact CG2-CG2 3.82Å; I169-A195 HydrophobicContact CD1-CB 3.63Å; I169-A195 VanDerWaalsContact CD1-O 3.31Å; I169-A195 WeakPolarHBondContact CD1-O 3.41Å; I169-A195 HydrophobicContact CG1-CB 3.98Å; I169-W198 PolarHBondContact N-O 2.87Å; I169-V199 HydrophobicContact CG2-CG2 3.34Å
170S87.4Confident82.3Confident32 Ų3267.3 Ų67.322%0.22436%0.357CS..  trans-81.6132172.5-49.40000110.2Y161 K163Y161-S170 CarbonylContact O-C 3.58Å; Y161-S170 WeakPolarHBondContact O-CA 3.49Å; Y161-S170 WeakPolarHBondContact O-CB 3.46Å; K163-S170 WeakPolarHBondContact CG-OG 3.18Å; K163-S170 PolarHBondContact N-OG 3.29Å; K163-S170 VanDerWaalsContact N-OG 3.11Å
171L87.8Confident81.9Confident2 Ų267.3 Ų67.31%0.0135%0.353CS..BIsolated β-bridgetrans-121.1155.4173.4-55.5-173000110.5A157 Y161 I169 V177 V190 V199 L204A157-L171 HydrophobicContact CB-CB 3.9Å; A157-L171 HydrophobicContact CB-CD1 3.94Å; Y161-L171 PolarHBondContact N-O 3Å; Y161-L171 PolarHBondContact O-N 3.35Å; Y161-L171 VanDerWaalsContact O-O 3.12Å; I169-L171 HydrophobicContact CD1-CD2 4.02Å; I169-L171 HydrophobicContact CG1-CD2 4.16Å; I169-L171 HydrophobicContact CG2-CD2 4.33Å; L171-V177 HydrophobicContact CD1-CG1 3.86Å; L171-V177 HydrophobicContact CD1-CG2 4.27Å; L171-V177 HydrophobicContact CD2-CG1 3.65Å; L171-V177 HydrophobicContact CG-CG1 4.44Å; L171-V190 HydrophobicContact CD1-CG2 4.42Å; L171-V199 HydrophobicContact CD1-CB 4.48Å; L171-V199 HydrophobicContact CD1-CG1 4.01Å; L171-V199 HydrophobicContact CD1-CG2 3.91Å; L171-V199 HydrophobicContact CG-CG2 4.04Å; L171-L204 HydrophobicContact CD1-CD2 3.7Å
172H85.4Confident81.6Confident119 Ų11970.1 Ų70.155%0.55137%0.366SS*.  trans-115.7155.1176-49.482.4000110.4A157 D160 G174 Q175A157-H172 WeakPolarHBondContact CB-O 3.39Å; D160-H172 WeakPolarHBondContact OD1-CA 3.42Å; H172-G174 PolarHBondContact O-N 2.86Å; H172-Q175 PolarHBondContact ND1-OE1 3.42Å; H172-Q175 WeakPolarHBondContact O-CB 3.48Å; H172-Q175 PolarHBondContact O-N 2.9Å
173V86.3Confident80.9Confident87 Ų8764.8 Ų64.853%0.52734%0.342SS..THydrogen-bonded Turntrans-56.3129.9176.7-178.40000110.9A157 D160 Q175A157-V173 CarbonylContact O-C 3.56Å; A157-V173 WeakPolarHBondContact O-CA 3.33Å; D160-V173 VanDerWaalsContact N-CG2 3.34Å; D160-V173 PolarHBondContact OD1-N 2.73Å; V173-Q175 VanDerWaalsContact C-N 3.34Å
174G78.1Confident79.7Confident46 Ų4669 Ų6947%0.47436%0.364SS..THydrogen-bonded Turntrans85.4-2.7-175.700000114.7A157 H172 T176A157-G174 PolarHBondContact O-N 3.17Å; H172-G174 PolarHBondContact O-N 2.86Å; G174-T176 PolarHBondContact O-N 3.01Å
175Q82.9Confident79.5Confident46 Ų4665.1 Ų65.122%0.21536%0.355CS..  trans-75.2115.9177.2-172.9173.3-1900110.7A157 H172 V173 S192A157-Q175 HydrophobicContact CB-CB 4.36Å; A157-Q175 WeakPolarHBondContact CB-O 3.31Å; A157-Q175 PolarHBondContact N-O 3.22Å; H172-Q175 PolarHBondContact ND1-OE1 3.42Å; H172-Q175 WeakPolarHBondContact O-CB 3.48Å; H172-Q175 PolarHBondContact O-N 2.9Å; V173-Q175 VanDerWaalsContact C-N 3.34Å; Q175-S192 PolarHBondContact NE2-OG 3.17Å
176T85.7Confident79.9Confident53 Ų5361.2 Ų61.233%0.32535%0.346SS..EExtended strand (participates in β ladder)trans-75.8139.1177.7-43.50000111.4Q154 Y155 G174Q154-T176 VanDerWaalsContact CD-CG2 3.42Å; Q154-T176 HydrophobicContact CG-CG2 3.31Å; Y155-T176 CarbonylContact O-C 3.57Å; Y155-T176 WeakPolarHBondContact O-CA 3.48Å; G174-T176 PolarHBondContact O-N 3.01Å
177V85.6Confident80.4Confident4 Ų461.1 Ų61.12%0.02433%0.332CS..EExtended strand (participates in β ladder)trans-142148.8179.9-63.30000112.5Y155 L171 V190 S191 L204Y155-V177 PolarHBondContact N-O 3.21Å; Y155-V177 PolarHBondContact O-N 3.26Å; L171-V177 HydrophobicContact CD1-CG1 3.86Å; L171-V177 HydrophobicContact CD1-CG2 4.27Å; L171-V177 HydrophobicContact CD2-CG1 3.65Å; L171-V177 HydrophobicContact CG-CG1 4.44Å; V177-V190 HydrophobicContact CB-CB 4.12Å; V177-V190 HydrophobicContact CB-CG2 4.37Å; V177-V190 HydrophobicContact CG1-CG2 4.46Å; V177-V190 HydrophobicContact CG2-CB 4.07Å; V177-V190 HydrophobicContact CG2-CG1 4.15Å; V177-V190 HydrophobicContact CG2-CG2 4.37Å; V177-S191 CarbonylContact C-O 3.56Å; V177-S191 VanDerWaalsContact CA-O 3.3Å; V177-S191 WeakPolarHBondContact CA-O 3.42Å; V177-S191 WeakPolarHBondContact CB-O 3.37Å; V177-L204 HydrophobicContact CG2-CD2 3.59Å
178E82Confident80.8Confident84 Ų8461 Ų6139%0.39333%0.326SS..EExtended strand (participates in β ladder)trans-89.6126171.6-62.4-177152.900110.1L152 I180 V190 S191L152-E178 HydrophobicContact CB-CB 4.19Å; L152-E178 HydrophobicContact CB-CG 4.29Å; L152-E178 HydrophobicContact CD1-CB 4.33Å; L152-E178 HydrophobicContact CD1-CG 4.43Å; L152-E178 VanDerWaalsContact CD1-OE2 3.3Å; L152-E178 WeakPolarHBondContact CD1-OE2 3.31Å; E178-I180 PolarHBondContact O-N 2.86Å; E178-V190 CarbonylContact O-C 3.5Å; E178-V190 VanDerWaalsContact O-CA 3.31Å; E178-V190 WeakPolarHBondContact O-CA 3.4Å; E178-S191 PolarHBondContact N-O 3.14Å; E178-S191 PolarHBondContact O-N 3.23Å
179V83.4Confident80.6Confident12 Ų1260.2 Ų60.27%0.07332%0.322CS..EExtended strand (participates in β ladder)trans-85.3114.6176.2-177.70000110.6E153 Y155 K182 W188 V190E153-V179 PolarHBondContact O-N 2.71Å; Y155-V179 HydrophobicContact CD2-CB 4.18Å; Y155-V179 HydrophobicContact CD2-CG2 3.28Å; Y155-V179 HydrophobicContact CE2-CB 4.5Å; Y155-V179 HydrophobicContact CE2-CG2 3.9Å; Y155-V179 HydrophobicContact CG-CG2 3.74Å; V179-K182 HydrophobicContact CG1-CD 4.4Å; V179-K182 HydrophobicContact CG1-CG 3.52Å; V179-W188 HydrophobicContact CG1-CB 4.17Å; V179-W188 HydrophobicContact CG1-CD2 4.4Å; V179-W188 HydrophobicContact CG1-CE3 4.28Å; V179-W188 HydrophobicContact CG1-CG 4.39Å; V179-W188 HydrophobicContact CG2-CE3 4.04Å; V179-V190 HydrophobicContact CG2-CG1 3.97Å
180I81.2Confident80.5Confident50 Ų5059.8 Ų59.826%0.25632%0.32SS..EExtended strand (participates in β ladder)trans-90.3-39.1-177.6-65.6174.9000112N21 E178 F189N21-I180 PolarHBondContact ND2-O 3.19Å; E178-I180 PolarHBondContact O-N 2.86Å; I180-F189 HydrophobicContact CB-CD1 3.76Å; I180-F189 HydrophobicContact CB-CE1 4.13Å; I180-F189 HydrophobicContact CD1-CD1 4.34Å; I180-F189 HydrophobicContact CD1-CE1 3.85Å; I180-F189 HydrophobicContact CD1-CZ 4.5Å; I180-F189 HydrophobicContact CG2-CD1 3.76Å; I180-F189 HydrophobicContact CG2-CE1 3.99Å; I180-F189 PolarHBondContact N-O 3.08Å
181E79.8Confident80.3Confident110 Ų11059.1 Ų59.151%0.51432%0.315SS..EExtended strand (participates in β ladder)trans-145.1105.6-177.9-160.6174.1132.900110.3F189E181-F189 HydrophobicContact CB-CB 3.92Å; E181-F189 PolarHBondContact N-O 2.96Å; E181-F189 PolarHBondContact O-N 3.19Å
182K79.2Confident80.1Confident85 Ų8559.5 Ų59.537%0.3732%0.318SS..  trans-79.4128.7166.9-65.8-179.9171.2171.30108.5E153 Y155 V179 W188E153-K182 IonicContact OE1-NZ 3Å; E153-K182 PolarHBondContact OE1-NZ 2.79Å; E153-K182 IonicContact OE2-NZ 2.65Å; E153-K182 PolarHBondContact OE2-NZ 3.01Å; Y155-K182 PolarHBondContact OH-NZ 2.88Å; V179-K182 HydrophobicContact CG1-CD 4.4Å; V179-K182 HydrophobicContact CG1-CG 3.52Å; K182-W188 HydrophobicContact CB-CG 4.42Å; K182-W188 HydrophobicContact CD-CH2 4.45Å; K182-W188 HydrophobicContact CD-CZ2 4.1Å; K182-W188 HydrophobicContact CG-CD2 3.88Å; K182-W188 HydrophobicContact CG-CE3 4.44Å; K182-W188 HydrophobicContact CG-CG 4.11Å; K182-W188 HydrophobicContact CG-CZ2 4.26Å
183N71.9Confident79.6Confident43 Ų4361.6 Ų61.623%0.2333%0.333CS..  trans-117.8155.6171.776.532.9000111.9S185 G186 W187 W198N183-S185 PolarHBondContact ND2-OG 3.21Å; N183-S185 PolarHBondContact O-N 3.46Å; N183-S185 PolarHBondContact OD1-N 3.42Å; N183-S185 PolarHBondContact OD1-OG 3.33Å; N183-G186 PolarHBondContact O-N 3.37Å; N183-G186 PolarHBondContact OD1-N 2.67Å; N183-W187 PolarHBondContact ND2-O 2.84Å; N183-W187 PolarHBondContact OD1-N 3.27Å; N183-W187 PolarHBondContact OD1-O 3.13Å; N183-W198 VanDerWaalsContact ND2-CZ3 3.33Å; N183-W198 WeakPolarHBondContact ND2-CZ3 3.28Å
184E59.8Low78.9Confident209 Ų20965.2 Ų65.298%0.97735%0.35SS*.THydrogen-bonded Turntrans-72.8-15.2-177.1-66.7166.9-168.500112.8G186E184-G186 PolarHBondContact O-N 3.24Å
185S65.4Low78.8Confident92 Ų9265.2 Ų65.264%0.64335%0.345SS*.THydrogen-bonded Turntrans-78.16.1172.942.10000114.3N183 W187N183-S185 PolarHBondContact ND2-OG 3.21Å; N183-S185 PolarHBondContact O-N 3.46Å; N183-S185 PolarHBondContact OD1-N 3.42Å; N183-S185 PolarHBondContact OD1-OG 3.33Å; S185-W187 PolarHBondContact O-N 2.73Å
186G74.6Confident78.9Confident33 Ų3367.6 Ų67.634%0.3436%0.356SS..SBendtrans76.718.9174.900000114.8N183 E184 A201N183-G186 PolarHBondContact O-N 3.37Å; N183-G186 PolarHBondContact OD1-N 2.67Å; E184-G186 PolarHBondContact O-N 3.24Å; G186-A201 WeakPolarHBondContact O-CB 3.37Å; G186-A201 PolarHBondContact O-N 2.89Å
187W80Confident78.6Confident93 Ų9365.1 Ų65.135%0.35234%0.341SS..EExtended strand (participates in β ladder)trans-120.6115.7177-77.288000109.8Y161 E168 N183 S185 W198 V199 P200Y161-W187 WeakPolarHBondContact OH-CH2 3.5Å; Y161-W187 WeakPolarHBondContact OH-CZ3 3.28Å; E168-W187 HydrophobicContact CG-CZ3 4.2Å; E168-W187 WeakPolarHBondContact OE1-CH2 3.41Å; N183-W187 PolarHBondContact ND2-O 2.84Å; N183-W187 PolarHBondContact OD1-N 3.27Å; N183-W187 PolarHBondContact OD1-O 3.13Å; S185-W187 PolarHBondContact O-N 2.73Å; W187-W198 HydrophobicContact CB-CE3 4.3Å; W187-W198 HydrophobicContact CE3-CB 4.07Å; W187-W198 WeakPolarHBondContact O-CZ3 3.31Å; W187-V199 CarbonylContact C-O 3.57Å; W187-P200 HydrophobicContact CE3-CG 4.16Å; W187-P200 HydrophobicContact CH2-CG 3.94Å; W187-P200 HydrophobicContact CZ2-CG 4.29Å; W187-P200 HydrophobicContact CZ3-CG 3.85Å
188W86.8Confident78.7Confident42 Ų4268 Ų6816%0.15935%0.352CS..EExtended strand (participates in β ladder)trans-99.6136-177.8-66.4-3.5000110.6Y155 V179 K182 V190 W198 V199 A201 L204Y155-W188 AromaticContact CD1-CZ3 3.78Å; Y155-W188 HydrophobicContact CD1-CZ3 3.78Å; Y155-W188 AromaticContact CE1-CH2 3.95Å; Y155-W188 HydrophobicContact CE1-CH2 3.95Å; Y155-W188 AromaticContact CE1-CZ3 3.42Å; Y155-W188 HydrophobicContact CE1-CZ3 3.42Å; Y155-W188 VanDerWaalsContact CE1-CZ3 3.42Å; Y155-W188 HydrophobicContact CE2-CZ3 4.29Å; Y155-W188 HydrophobicContact CG-CZ3 4.4Å; Y155-W188 AromaticContact CZ-CZ3 3.7Å; V179-W188 HydrophobicContact CG1-CB 4.17Å; V179-W188 HydrophobicContact CG1-CD2 4.4Å; V179-W188 HydrophobicContact CG1-CE3 4.28Å; V179-W188 HydrophobicContact CG1-CG 4.39Å; V179-W188 HydrophobicContact CG2-CE3 4.04Å; K182-W188 HydrophobicContact CB-CG 4.42Å; K182-W188 HydrophobicContact CD-CH2 4.45Å; K182-W188 HydrophobicContact CD-CZ2 4.1Å; K182-W188 HydrophobicContact CG-CD2 3.88Å; K182-W188 HydrophobicContact CG-CE3 4.44Å; K182-W188 HydrophobicContact CG-CG 4.11Å; K182-W188 HydrophobicContact CG-CZ2 4.26Å; W188-V190 HydrophobicContact CB-CG1 4.29Å; W188-W198 WeakPolarHBondContact O-CA 3.38Å; W188-V199 PolarHBondContact N-O 3.2Å; W188-V199 PolarHBondContact O-N 3.32Å; W188-A201 HydrophobicContact CD2-CB 3.74Å; W188-A201 VanDerWaalsContact CE2-CB 3.46Å; W188-A201 HydrophobicContact CE3-CB 4.31Å; W188-A201 HydrophobicContact CG-CB 4.03Å; W188-A201 HydrophobicContact CH2-CB 4.38Å; W188-A201 HydrophobicContact CZ2-CB 3.84Å; W188-L204 HydrophobicContact CB-CD1 4.14Å; W188-L204 HydrophobicContact CE3-CB 4.24Å; W188-L204 HydrophobicContact CE3-CD1 3.78Å; W188-L204 HydrophobicContact CZ3-CB 4.24Å
189F82.3Confident79Confident14 Ų1464 Ų646%0.06133%0.333CS..EExtended strand (participates in β ladder)trans-86.2116.3172.7-179.2-123.2000108.8I180 E181 Q196 G197 W198I180-F189 HydrophobicContact CB-CD1 3.76Å; I180-F189 HydrophobicContact CB-CE1 4.13Å; I180-F189 HydrophobicContact CD1-CD1 4.34Å; I180-F189 HydrophobicContact CD1-CE1 3.85Å; I180-F189 HydrophobicContact CD1-CZ 4.5Å; I180-F189 HydrophobicContact CG2-CD1 3.76Å; I180-F189 HydrophobicContact CG2-CE1 3.99Å; I180-F189 PolarHBondContact N-O 3.08Å; E181-F189 HydrophobicContact CB-CB 3.92Å; E181-F189 PolarHBondContact N-O 2.96Å; E181-F189 PolarHBondContact O-N 3.19Å; F189-Q196 HydrophobicContact CE2-CB 3.88Å; F189-Q196 HydrophobicContact CZ-CB 3.63Å; F189-G197 VanDerWaalsContact CD2-C 3.49Å; F189-G197 VanDerWaalsContact CD2-O 3.25Å; F189-G197 WeakPolarHBondContact CD2-O 3.45Å; F189-W198 HydrophobicContact CB-CD2 4.16Å; F189-W198 HydrophobicContact CB-CE3 3.67Å; F189-W198 HydrophobicContact CB-CH2 3.96Å; F189-W198 HydrophobicContact CB-CZ2 4.44Å; F189-W198 HydrophobicContact CB-CZ3 3.56Å; F189-W198 HydrophobicContact CD2-CD2 4.47Å
190V85.8Confident79Confident0 Ų064.4 Ų64.40%034%0.336CS..EExtended strand (participates in β ladder)trans-121.3152.2-172.9-55.80000112.6I169 L171 V177 E178 V179 W188 Q196 G197 V199 L204I169-V190 HydrophobicContact CG2-CG2 3.82Å; L171-V190 HydrophobicContact CD1-CG2 4.42Å; V177-V190 HydrophobicContact CB-CB 4.12Å; V177-V190 HydrophobicContact CB-CG2 4.37Å; V177-V190 HydrophobicContact CG1-CG2 4.46Å; V177-V190 HydrophobicContact CG2-CB 4.07Å; V177-V190 HydrophobicContact CG2-CG1 4.15Å; V177-V190 HydrophobicContact CG2-CG2 4.37Å; E178-V190 CarbonylContact O-C 3.5Å; E178-V190 VanDerWaalsContact O-CA 3.31Å; E178-V190 WeakPolarHBondContact O-CA 3.4Å; V179-V190 HydrophobicContact CG2-CG1 3.97Å; W188-V190 HydrophobicContact CB-CG1 4.29Å; V190-Q196 WeakPolarHBondContact O-CA 3.04Å; V190-G197 PolarHBondContact N-O 3.45Å; V190-G197 PolarHBondContact O-N 3.46Å; V190-G197 VanDerWaalsContact O-N 3.15Å; V190-V199 HydrophobicContact CG2-CB 4.31Å; V190-V199 HydrophobicContact CG2-CG2 3.66Å; V190-L204 HydrophobicContact CG1-CD1 3.66Å
191S81.4Confident79.1Confident18 Ų1862.9 Ų62.913%0.12633%0.331CS..EExtended strand (participates in β ladder)trans-104.8126.6165.5-156.80000109.3V177 E178 Q196V177-S191 CarbonylContact C-O 3.56Å; V177-S191 VanDerWaalsContact CA-O 3.3Å; V177-S191 WeakPolarHBondContact CA-O 3.42Å; V177-S191 WeakPolarHBondContact CB-O 3.37Å; E178-S191 PolarHBondContact N-O 3.14Å; E178-S191 PolarHBondContact O-N 3.23Å; S191-Q196 WeakPolarHBondContact OG-CG 3.46Å; S191-Q196 PolarHBondContact OG-NE2 2.88Å
192S83.5Confident79.4Confident10 Ų1063.4 Ų63.47%0.0734%0.341CS..  trans-103.3172.6154.1-161.10000108.3Q175 D194 A195Q175-S192 PolarHBondContact NE2-OG 3.17Å; S192-D194 VanDerWaalsContact C-N 3.29Å; S192-D194 PolarHBondContact O-N 3.36Å; S192-A195 PolarHBondContact N-O 2.82Å; S192-A195 PolarHBondContact O-N 2.99Å
193D76.1Confident79.6Confident162 Ų16259.8 Ų59.887%0.86633%0.327SS*.SBendtrans-60.1-38.8-175.9-59.8-49000112.5
194D71.3Confident80.3Confident164 Ų16458.3 Ų58.388%0.87732%0.319SS*.SBendtrans-90.2-20.1-176.2-69.2-51000114.9S192S192-D194 VanDerWaalsContact C-N 3.29Å; S192-D194 PolarHBondContact O-N 3.36Å
195A76.1Confident81.5Confident46 Ų4654.4 Ų54.438%0.3830%0.301SS..  trans-160.8166.9-170.800000114.2I169 S192I169-A195 HydrophobicContact CD1-CB 3.63Å; I169-A195 VanDerWaalsContact CD1-O 3.31Å; I169-A195 WeakPolarHBondContact CD1-O 3.41Å; I169-A195 HydrophobicContact CG1-CB 3.98Å; S192-A195 PolarHBondContact N-O 2.82Å; S192-A195 PolarHBondContact O-N 2.99Å
196Q85.7Confident82.2Confident96 Ų9652.2 Ų52.245%0.44929%0.288SS..EExtended strand (participates in β ladder)trans-134.6126.6173.4-48.5-166.8-44.800112R83 F189 V190 S191R83-Q196 PolarHBondContact NH1-O 2.86Å; F189-Q196 HydrophobicContact CE2-CB 3.88Å; F189-Q196 HydrophobicContact CZ-CB 3.63Å; V190-Q196 WeakPolarHBondContact O-CA 3.04Å; S191-Q196 WeakPolarHBondContact OG-CG 3.46Å; S191-Q196 PolarHBondContact OG-NE2 2.88Å
197G79.2Confident81.8Confident0 Ų054.8 Ų54.80%029%0.291CS..EExtended strand (participates in β ladder)trans-156.2172.6-177.400000113.5T167 F189 V190T167-G197 WeakPolarHBondContact O-CA 3.27Å; F189-G197 VanDerWaalsContact CD2-C 3.49Å; F189-G197 VanDerWaalsContact CD2-O 3.25Å; F189-G197 WeakPolarHBondContact CD2-O 3.45Å; V190-G197 PolarHBondContact N-O 3.45Å; V190-G197 PolarHBondContact O-N 3.46Å; V190-G197 VanDerWaalsContact O-N 3.15Å
198W86.5Confident80.1Confident65 Ų6557.5 Ų57.525%0.24631%0.313CS..EExtended strand (participates in β ladder)trans-74.4146.1165.6-61.5109.9000110.8T167 E168 I169 N183 W187 W188 F189T167-W198 PolarHBondContact O-N 2.89Å; E168-W198 VanDerWaalsContact CA-O 3.3Å; E168-W198 WeakPolarHBondContact CA-O 3.35Å; E168-W198 WeakPolarHBondContact CB-O 3.45Å; E168-W198 HydrophobicContact CG-CB 4.14Å; I169-W198 PolarHBondContact N-O 2.87Å; N183-W198 VanDerWaalsContact ND2-CZ3 3.33Å; N183-W198 WeakPolarHBondContact ND2-CZ3 3.28Å; W187-W198 HydrophobicContact CB-CE3 4.3Å; W187-W198 HydrophobicContact CE3-CB 4.07Å; W187-W198 WeakPolarHBondContact O-CZ3 3.31Å; W188-W198 WeakPolarHBondContact O-CA 3.38Å; F189-W198 HydrophobicContact CB-CD2 4.16Å; F189-W198 HydrophobicContact CB-CE3 3.67Å; F189-W198 HydrophobicContact CB-CH2 3.96Å; F189-W198 HydrophobicContact CB-CZ2 4.44Å; F189-W198 HydrophobicContact CB-CZ3 3.56Å; F189-W198 HydrophobicContact CD2-CD2 4.47Å
199V89.4Confident77.7Confident0 Ų061.4 Ų61.40%034%0.337CS..EExtended strand (participates in β ladder)trans-144.8145.7174.4178.90000107.8Y161 I169 L171 W187 W188 V190 A201 C203 L204Y161-V199 HydrophobicContact CD1-CB 4.44Å; Y161-V199 HydrophobicContact CD1-CG1 3.96Å; Y161-V199 HydrophobicContact CD1-CG2 4.17Å; Y161-V199 HydrophobicContact CE1-CG1 4.46Å; Y161-V199 HydrophobicContact CE1-CG2 4.36Å; Y161-V199 HydrophobicContact CG-CG1 4.28Å; I169-V199 HydrophobicContact CG2-CG2 3.34Å; L171-V199 HydrophobicContact CD1-CB 4.48Å; L171-V199 HydrophobicContact CD1-CG1 4.01Å; L171-V199 HydrophobicContact CD1-CG2 3.91Å; L171-V199 HydrophobicContact CG-CG2 4.04Å; W187-V199 CarbonylContact C-O 3.57Å; W188-V199 PolarHBondContact N-O 3.2Å; W188-V199 PolarHBondContact O-N 3.32Å; V190-V199 HydrophobicContact CG2-CB 4.31Å; V190-V199 HydrophobicContact CG2-CG2 3.66Å; V199-A201 PolarHBondContact O-N 2.83Å; V199-C203 HydrophobicContact CG1-CB 3.83Å; V199-L204 HydrophobicContact CB-CD1 4.44Å; V199-L204 HydrophobicContact CG1-CD1 4.33Å; V199-L204 HydrophobicContact CG1-CD2 4.49Å; V199-L204 HydrophobicContact CG1-CG 4.28Å
200P83.9Confident75.9Confident20 Ų2066.3 Ų66.313%0.1337%0.37CS..EExtended strand (participates in β ladder)trans-60137.5172.4-2334000111.8Y161 W187 T202 C203Y161-P200 HydrophobicContact CD2-CG 4.12Å; Y161-P200 VanDerWaalsContact CE2-CD 3.47Å; Y161-P200 HydrophobicContact CE2-CG 3.71Å; W187-P200 HydrophobicContact CE3-CG 4.16Å; W187-P200 HydrophobicContact CH2-CG 3.94Å; W187-P200 HydrophobicContact CZ2-CG 4.29Å; W187-P200 HydrophobicContact CZ3-CG 3.85Å; P200-T202 PolarHBondContact O-N 3.28Å; P200-T202 VanDerWaalsContact O-N 3.17Å; P200-C203 WeakPolarHBondContact O-CB 3.34Å; P200-C203 PolarHBondContact O-N 3.4Å
201A82.8Confident73.7Confident19 Ų1973.7 Ų73.716%0.15741%0.409CS..G310 helixtrans-58.3-29.3176.100000112.3G186 W188 V199 C203 L204G186-A201 WeakPolarHBondContact O-CB 3.37Å; G186-A201 PolarHBondContact O-N 2.89Å; W188-A201 HydrophobicContact CD2-CB 3.74Å; W188-A201 VanDerWaalsContact CE2-CB 3.46Å; W188-A201 HydrophobicContact CE3-CB 4.31Å; W188-A201 HydrophobicContact CG-CB 4.03Å; W188-A201 HydrophobicContact CH2-CB 4.38Å; W188-A201 HydrophobicContact CZ2-CB 3.84Å; V199-A201 PolarHBondContact O-N 2.83Å; A201-C203 PolarHBondContact O-N 3.21Å; A201-L204 PolarHBondContact O-N 3.18Å
202T85Confident71.6Confident120 Ų12079.2 Ų79.274%0.73644%0.438SS*.G310 helixtrans-66.9-14.4175.852.60000114.4P200P200-T202 PolarHBondContact O-N 3.28Å; P200-T202 VanDerWaalsContact O-N 3.17Å
203C84.4Confident69.1Low10 Ų1088 Ų887%0.06848%0.475CS..G310 helixtrans-90.6-1.6177.6-61.10000112.7A157 V158 T159 V199 P200 A201A157-C203 CarbonylContact C-O 3.57Å; A157-C203 VanDerWaalsContact CA-O 3.26Å; A157-C203 WeakPolarHBondContact CA-O 3.27Å; V158-C203 PolarHBondContact N-O 3.29Å; T159-C203 WeakPolarHBondContact OG1-CA 3.41Å; T159-C203 VanDerWaalsContact OG1-CB 3.29Å; T159-C203 WeakPolarHBondContact OG1-CB 3.37Å; T159-C203 PolarHBondContact OG1-SG 3.02Å; V199-C203 HydrophobicContact CG1-CB 3.83Å; P200-C203 WeakPolarHBondContact O-CB 3.34Å; P200-C203 PolarHBondContact O-N 3.4Å; A201-C203 PolarHBondContact O-N 3.21Å
204L86.8Confident66.9Low12 Ų1286.3 Ų86.36%0.06347%0.471CS..EExtended strand (participates in β ladder)trans-129.2123.7-167.6-61.3172000110.5Y155 A157 L171 V177 W188 V190 V199 A201Y155-L204 HydrophobicContact CD1-CB 4.01Å; Y155-L204 HydrophobicContact CG-CB 4.47Å; A157-L204 HydrophobicContact CB-CD2 4.44Å; L171-L204 HydrophobicContact CD1-CD2 3.7Å; V177-L204 HydrophobicContact CG2-CD2 3.59Å; W188-L204 HydrophobicContact CB-CD1 4.14Å; W188-L204 HydrophobicContact CE3-CB 4.24Å; W188-L204 HydrophobicContact CE3-CD1 3.78Å; W188-L204 HydrophobicContact CZ3-CB 4.24Å; V190-L204 HydrophobicContact CG1-CD1 3.66Å; V199-L204 HydrophobicContact CB-CD1 4.44Å; V199-L204 HydrophobicContact CG1-CD1 4.33Å; V199-L204 HydrophobicContact CG1-CD2 4.49Å; V199-L204 HydrophobicContact CG1-CG 4.28Å; A201-L204 PolarHBondContact O-N 3.18Å
205E84.1Confident65.3Low126 Ų12685.6 Ų85.659%0.58947%0.466SS*.EExtended strand (participates in β ladder)trans-115.3144.5174.5-166.7150.1-152.600110.8Y155 V156 V158Y155-E205 WeakPolarHBondContact CA-O 3.42Å; Y155-E205 WeakPolarHBondContact CD1-O 3.25Å; V156-E205 PolarHBondContact N-O 3.14Å; V156-E205 PolarHBondContact O-N 3.04Å; V158-E205 HydrophobicContact CB-CB 4.48Å; V158-E205 HydrophobicContact CG1-CB 3.48Å; V158-E205 VanDerWaalsContact CG1-CB 3.48Å; V158-E205 HydrophobicContact CG2-CB 4.18Å
206A80.9Confident63.4Low46 Ų4689 Ų8938%0.3848%0.484SS..EExtended strand (participates in β ladder)trans-69.8136.6-178.100000109.2Y155 D208Y155-A206 HydrophobicContact CD1-CB 4.31Å; Y155-A206 VanDerWaalsContact CE1-CA 3.48Å; Y155-A206 HydrophobicContact CE1-CB 3.65Å; Y155-A206 VanDerWaalsContact CE1-N 3.35Å; A206-D208 PolarHBondContact O-N 2.93Å; A206-D208 VanDerWaalsContact O-N 3.13Å
207Q65.4Low60.7Low88 Ų8887.2 Ų87.241%0.41149%0.491SS..  trans-80.196174.7-163.9178.4-8600109Q154 V156 D209Q154-Q207 PolarHBondContact O-N 3.03Å; V156-Q207 HydrophobicContact CG2-CB 4.28Å; V156-Q207 HydrophobicContact CG2-CG 4.29Å; Q207-D209 PolarHBondContact O-N 3.43Å
208D44.1Very low58.3Low150 Ų15096.4 Ų96.480%0.80253%0.534SS*.  trans-57.4120.2173.6-85.1-36.2000110.4A206 P210A206-D208 PolarHBondContact O-N 2.93Å; A206-D208 VanDerWaalsContact O-N 3.13Å; D208-P210 WeakPolarHBondContact O-CD 3.28Å
209D38.2Very low55.4Low123 Ų123102 Ų10266%0.65856%0.563SS**  trans-66.8117.6177.6-80.7-58.3000111.1Q207 D211Q207-D209 PolarHBondContact O-N 3.43Å; D209-D211 VanDerWaalsContact C-N 3.3Å; D209-D211 PolarHBondContact O-N 2.88Å; D209-D211 VanDerWaalsContact O-N 3.09Å
210P44Very low53Low118 Ų118107.7 Ų107.777%0.76660%0.597SS**  trans-89.641.8-169.137.3-37.5000113.8D208D208-P210 WeakPolarHBondContact O-CD 3.28Å
211D39.8Very low50.9Low154 Ų154112.5 Ų112.582%0.82463%0.629SS**  trans-142.259.1-172.4-110.3-38.2000115D209D209-D211 VanDerWaalsContact C-N 3.3Å; D209-D211 PolarHBondContact O-N 2.88Å; D209-D211 VanDerWaalsContact O-N 3.09Å
212D36.1Very low48.6Very low135 Ų135120 Ų12072%0.72265%0.653SS**  trans-120.477.1153.7-173.816000111.3
213F30.7Very low46.1Very low193 Ų193124 Ų12485%0.84665%0.654SS**  trans-140.484.7168.6-88.8-80.8000111.7
214T31Very low43.3Very low128 Ų128131.7 Ų131.779%0.78569%0.687SS**  172.6119.3128.4-73.30000112.1
215I36.7Very low40.6Very low149 Ų149140.9 Ų140.976%0.76472%0.721SS**  trans-130.5124.3162.9-56.3176.1000109
216P36.5Very low38Very low117 Ų117138.8 Ų138.876%0.7672%0.72SS**  -142.9146.1126.836.4-23.4000112.7
217G29.5Very low35.7Very low59 Ų59144.3 Ų144.361%0.60874%0.743SS**  cis168.6166.4-2.500000111.2
218E28.6Very low34.3Very low193 Ų193145.7 Ų145.790%0.90276%0.759SS**  trans64.8142.3174.5-66.4-179.8129.100117.3
219E26.2Very low33.6Very low183 Ų183149.3 Ų149.386%0.85576%0.762SS**  cis-124.3172.88.7-68.8-176.3106.100113.5
220V39.1Very low33.4Very low119 Ų119151.5 Ų151.572%0.72177%0.768SS**  trans-140.8135.9-178.3-158.50000111.8R222V220-R222 HydrophobicContact CG1-CG 4.25Å
221P39.2Very low32.7Very low121 Ų121151.9 Ų151.979%0.78677%0.768SS**  -136.4127.4121.313.77.9000112.8
222R34.2Very low32.2Very low177 Ų177147.9 Ų147.967%0.66876%0.763SS**  71.6135.364.4-74.4-171.9-172-90.27.7113.7V220V220-R222 HydrophobicContact CG1-CG 4.25Å
223R32.9Very low31.9Very low203 Ų203153.2 Ų153.277%0.76677%0.773SS**  cis-147.3153.63.8-57.586.7173.6173.4-0.8111.1
224F25.1Very low32.7Very low171 Ų171155.3 Ų155.375%0.7578%0.775SS**SBend-172.1121.3123.5-137.9-153.5000107.4
225W30Very low32.7Very low205 Ų205158.8 Ų158.878%0.77777%0.774SS**  cis-123.2-177.44.5-69.377000111.6
226S30.7Very low32.8Very low82 Ų82157.2 Ų157.257%0.57377%0.771SS**  trans-152.5135164.6-53.90000107.8
227L31.8Very low32.9Very low162 Ų162158.8 Ų158.885%0.84877%0.772SS**  164.617594.4-93.4131.4000107.2
228P36.1Very low33.3Very low117 Ų117158.9 Ų158.976%0.7677%0.773SS**  cis-126.5-174.7-7.225.5-1.8000114.1
229R30.1Very low33.6Very low227 Ų227153.9 Ų153.986%0.85775%0.753SS**  trans-104.7154.5167.4-49.6178-166.9-135.70.7109.6
230H32.8Very low34.1Very low169 Ų169152.3 Ų152.378%0.78275%0.749SS**  160.4154.597.5-131.3-74.9000114.5
231V29.8Very low33.9Very low126 Ų126155.5 Ų155.576%0.76475%0.754SS**  trans56.986.6164.9-1590000119.7
232G28.7Very low33.8Very low70 Ų70154.5 Ų154.572%0.72275%0.75SS**  68.995.4102.900000121.9
233R31.1Very low33.8Very low247 Ų247153.2 Ų153.293%0.93276%0.762SS**  -151147126.6-117.9-177.3-170.5-126.22.8111.7R235R233-R235 PolarHBondContact O-N 2.79Å
234R45.7Very low33.9Very low236 Ų236146.1 Ų146.189%0.89175%0.752SS**  trans-39.3122179.1180-168.5-66.5-125.82.1113.4
235R31.4Very low34.3Very low202 Ų202148.8 Ų148.876%0.76276%0.763SS**  trans-122151.7156.2-63.7-161.8-175.3-172.3-0109.2R233 D239R233-R235 PolarHBondContact O-N 2.79Å; R235-D239 WeakPolarHBondContact CD-OD2 3.35Å; R235-D239 IonicContact CZ-OD2 2.89Å; R235-D239 IonicContact NE-OD2 2.6Å; R235-D239 IonicContact NH1-OD2 2.65Å; R235-D239 PolarHBondContact NH1-OD2 3.39Å
236T38.8Very low34.6Very low115 Ų115142.5 Ų142.571%0.70676%0.762SS**  trans-99169.5-177.942.30000111.6G238 D239T236-G238 PolarHBondContact O-N 3.01Å; T236-D239 PolarHBondContact O-N 3.04Å
237L40Very low35Very low151 Ų151147.5 Ų147.579%0.79178%0.777SS**THydrogen-bonded Turntrans-62.50.9-171-163.959.6000116
238G37.6Very low36Very low61 Ų61145.3 Ų145.363%0.62976%0.762SS**THydrogen-bonded Turntrans-84.1-11.1178.900000115.6T236T236-G238 PolarHBondContact O-N 3.01Å
239D33.7Very low37.6Very low87 Ų87142.5 Ų142.547%0.46574%0.739SS.*SBendtrans-99.314.4-165.4-157.938.4000114.3R235 T236R235-D239 WeakPolarHBondContact CD-OD2 3.35Å; R235-D239 IonicContact CZ-OD2 2.89Å; R235-D239 IonicContact NE-OD2 2.6Å; R235-D239 IonicContact NH1-OD2 2.65Å; R235-D239 PolarHBondContact NH1-OD2 3.39Å; T236-D239 PolarHBondContact O-N 3.04Å
240L37.3Very low40.1Very low150 Ų150134.4 Ų134.479%0.78571%0.71SS**SBendtrans-117.5-5.2-176.2-69.8177000115.1
241F34.7Very low42.7Very low187 Ų187127.1 Ų127.182%0.8268%0.675SS**SBendtrans-101.98.2-179.1-76.6-76.2000114.4
242S36.8Very low45.5Very low100 Ų100122.6 Ų122.670%0.69965%0.649SS**  trans-112.721.9-166.3-54.20000115.8
243T34.2Very low48.3Very low150 Ų150119.4 Ų119.492%0.9262%0.616SS**SBendtrans-130.862178.1-46.10000112.8
244G36.1Very low50.9Low54 Ų54110.3 Ų110.356%0.55759%0.585SS**SBendtrans169.3120.5172.200000111
245F33.2Very low52.5Low226 Ų226105 Ų10599%0.99157%0.566SS**SBendtrans61.345180-52.5-72.6000116.3
246G36Very low55Low73 Ų7399 Ų9975%0.75355%0.554SS**  trans-122.879165.900000112.1
247Q39Very low57Low187 Ų18794.6 Ų94.687%0.87452%0.524SS*.  trans-88.1116.8150.4-80.1-160.8-9.200107.1E249Q247-E249 VanDerWaalsContact C-N 3.27Å; Q247-E249 PolarHBondContact O-N 2.76Å
248E52.3Low59.1Low117 Ų11791.5 Ų91.555%0.54752%0.515SS..  trans-64.189171.2-63.1172.2163.900108.4K250 E274E248-K250 WeakPolarHBondContact O-CG 3.43Å; E248-K250 PolarHBondContact O-N 2.97Å; E248-K250 IonicContact OE2-NZ 2.73Å; E248-K250 PolarHBondContact OE2-NZ 3.12Å; E248-E274 HydrophobicContact CB-CG 4.47Å
249E69.6Low61.4Low57 Ų5790.3 Ų90.327%0.26650%0.499SS..  trans-64.5111.3177.1-69.2-168123.600108.8Q247 Y251 V275 K278 K302Q247-E249 VanDerWaalsContact C-N 3.27Å; Q247-E249 PolarHBondContact O-N 2.76Å; E249-Y251 HydrophobicContact CB-CD2 4.26Å; E249-Y251 HydrophobicContact CB-CE2 3.59Å; E249-Y251 VanDerWaalsContact O-CD2 3.26Å; E249-Y251 WeakPolarHBondContact O-CD2 3.4Å; E249-Y251 PolarHBondContact OE2-OH 2.97Å; E249-V275 PolarHBondContact O-N 2.92Å; E249-K278 IonicContact OE2-NZ 3.62Å; E249-K278 PolarHBondContact OE2-NZ 2.95Å; E249-K302 WeakPolarHBondContact OE1-CE 3.22Å; E249-K302 IonicContact OE1-NZ 3.88Å; E249-K302 PolarHBondContact OE1-NZ 3.46Å
250K84.5Confident63.1Low58 Ų5896.4 Ų96.425%0.25252%0.516SS..EExtended strand (participates in β ladder)trans-91.7126.5-178.2-45.2-151-176.3-144.90109.3E248 I272 V273 E274 S303E248-K250 WeakPolarHBondContact O-CG 3.43Å; E248-K250 PolarHBondContact O-N 2.97Å; E248-K250 IonicContact OE2-NZ 2.73Å; E248-K250 PolarHBondContact OE2-NZ 3.12Å; K250-I272 HydrophobicContact CB-CG2 3.69Å; K250-I272 HydrophobicContact CD-CG2 4.49Å; K250-V273 WeakPolarHBondContact CA-O 3.48Å; K250-E274 HydrophobicContact CD-CG 4.05Å; K250-E274 HydrophobicContact CG-CG 4.16Å; K250-E274 IonicContact NZ-OE1 2.71Å; K250-E274 PolarHBondContact NZ-OE1 3.15Å; K250-S303 WeakPolarHBondContact O-CB 3.5Å; K250-S303 PolarHBondContact O-N 3.08Å; K250-S303 VanDerWaalsContact O-N 3.12Å
251Y86.6Confident65Low15 Ų1594.7 Ų94.76%0.05951%0.507CS..EExtended strand (participates in β ladder)trans-113.5138.1-176.6-74.6-105000109.8E249 I272 V273 V275 K278 W284 L300 K301 K302E249-Y251 HydrophobicContact CB-CD2 4.26Å; E249-Y251 HydrophobicContact CB-CE2 3.59Å; E249-Y251 VanDerWaalsContact O-CD2 3.26Å; E249-Y251 WeakPolarHBondContact O-CD2 3.4Å; E249-Y251 PolarHBondContact OE2-OH 2.97Å; Y251-I272 CarbonylContact O-C 3.55Å; Y251-I272 WeakPolarHBondContact O-CA 3.22Å; Y251-V273 PolarHBondContact N-O 3.12Å; Y251-V273 PolarHBondContact O-N 2.89Å; Y251-V275 HydrophobicContact CD2-CB 4.13Å; Y251-V275 HydrophobicContact CD2-CG2 3.3Å; Y251-V275 HydrophobicContact CE2-CB 4.03Å; Y251-V275 HydrophobicContact CE2-CG2 3.56Å; Y251-V275 HydrophobicContact CG-CG2 3.95Å; Y251-K278 PolarHBondContact OH-NZ 3.43Å; Y251-K278 VanDerWaalsContact OH-NZ 3.08Å; Y251-W284 AromaticContact CD1-CZ3 3.75Å; Y251-W284 HydrophobicContact CD1-CZ3 3.75Å; Y251-W284 HydrophobicContact CE1-CE3 4.46Å; Y251-W284 AromaticContact CE1-CH2 3.75Å; Y251-W284 HydrophobicContact CE1-CH2 3.75Å; Y251-W284 AromaticContact CE1-CZ3 3.33Å; Y251-W284 HydrophobicContact CE1-CZ3 3.33Å; Y251-W284 HydrophobicContact CE2-CZ3 4.27Å; Y251-W284 HydrophobicContact CG-CZ3 4.41Å; Y251-W284 AromaticContact CZ-CH2 3.99Å; Y251-W284 AromaticContact CZ-CZ3 3.61Å; Y251-L300 HydrophobicContact CD1-CB 4.08Å; Y251-L300 HydrophobicContact CG-CB 4.39Å; Y251-K301 CarbonylContact C-O 3.57Å; Y251-K301 VanDerWaalsContact CA-O 3.28Å; Y251-K301 WeakPolarHBondContact CA-O 3.43Å; Y251-K302 VanDerWaalsContact CD1-CA 3.46Å; Y251-K302 HydrophobicContact CD1-CB 4.03Å; Y251-K302 VanDerWaalsContact CD1-N 3.26Å; Y251-K302 HydrophobicContact CE1-CB 3.6Å; Y251-K302 HydrophobicContact CE1-CG 4.35Å
252S87.8Confident66.5Low31 Ų3195.4 Ų95.422%0.21751%0.514CS..EExtended strand (participates in β ladder)trans-87.1130.9169.7410000110.2I254 M271 K301 S303S252-I254 PolarHBondContact O-N 3.26Å; S252-M271 WeakPolarHBondContact CA-O 3.38Å; S252-K301 PolarHBondContact N-O 2.79Å; S252-K301 PolarHBondContact O-N 2.89Å; S252-K301 PolarHBondContact OG-O 3.18Å; S252-S303 VanDerWaalsContact CB-OG 3.26Å; S252-S303 WeakPolarHBondContact CB-OG 3.41Å; S252-S303 PolarHBondContact N-OG 2.77Å; S252-S303 VanDerWaalsContact N-OG 3.1Å; S252-S303 PolarHBondContact OG-OG 2.69Å
253V87.3Confident68.5Low3 Ų396.5 Ų96.52%0.01851%0.512CS..EExtended strand (participates in β ladder)trans-70.6120.1172.2176.90000109.2Y255 L267 E268 G270 M271 V273 Y299 L300V253-Y255 WeakPolarHBondContact CG1-O 3.42Å; V253-L267 HydrophobicContact CG1-CB 3.95Å; V253-L267 HydrophobicContact CG1-CD1 4.34Å; V253-L267 HydrophobicContact CG2-CB 4.26Å; V253-L267 HydrophobicContact CG2-CD1 4.05Å; V253-L267 HydrophobicContact CG2-CD2 3.81Å; V253-L267 HydrophobicContact CG2-CG 4.28Å; V253-E268 WeakPolarHBondContact CB-O 3.22Å; V253-E268 VanDerWaalsContact CG1-O 3.29Å; V253-E268 WeakPolarHBondContact CG1-O 3.35Å; V253-G270 PolarHBondContact O-N 2.69Å; V253-M271 HydrophobicContact CB-CB 4.33Å; V253-M271 HydrophobicContact CG2-CB 3.86Å; V253-M271 WeakPolarHBondContact CG2-O 3.3Å; V253-M271 PolarHBondContact N-O 2.87Å; V253-V273 HydrophobicContact CG2-CG1 3.98Å; V253-Y299 WeakPolarHBondContact CA-O 3.35Å; V253-L300 HydrophobicContact CG2-CD2 3.85Å
254I87.3Confident70.8Confident56 Ų5691 Ų9129%0.28748%0.475SS..SBendtrans-94.9-20.8-179.351.1165.7000113.8S252 R269 Y299 K301S252-I254 PolarHBondContact O-N 3.26Å; I254-R269 PolarHBondContact O-NE 3.05Å; I254-R269 PolarHBondContact O-NH2 3.3Å; I254-R269 VanDerWaalsContact O-NH2 3.17Å; I254-Y299 VanDerWaalsContact CG1-O 3.3Å; I254-Y299 WeakPolarHBondContact CG1-O 3.47Å; I254-Y299 PolarHBondContact N-O 2.94Å; I254-K301 HydrophobicContact CG2-CB 3.6Å; I254-K301 HydrophobicContact CG2-CD 3.98Å; I254-K301 HydrophobicContact CG2-CG 4.45Å
255Y77.8Confident73.1Confident124 Ų12489.2 Ų89.249%0.48645%0.453SS..SBendtrans-137.4141175.2-64.2-72.3000109.8V253 R269 Y299V253-Y255 WeakPolarHBondContact CG1-O 3.42Å; Y255-R269 VanDerWaalsContact CE1-NH2 3.34Å; Y255-Y299 WeakPolarHBondContact O-CD1 3.38Å
256P83.8Confident75.5Confident78 Ų7882.9 Ų82.951%0.50643%0.429SS..  trans-67.8149.7172.832.3-34.9000110.1L267 Y299P256-L267 CarbonylContact C-O 3.56Å; P256-L267 WeakPolarHBondContact CA-O 3.33Å; P256-Y299 WeakPolarHBondContact O-CE1 3.42Å
257Y82.6Confident78Confident22 Ų2279.8 Ų79.89%0.08640%0.396CS..BIsolated β-bridgetrans-149.4133.5178.8158.2-91.5000108.4E264 L267 W283 A295 P296Y257-E264 PolarHBondContact OH-OE1 3.34Å; Y257-E264 PolarHBondContact OH-OE2 2.82Å; Y257-L267 HydrophobicContact CD1-CB 4.49Å; Y257-L267 HydrophobicContact CD1-CD1 4.48Å; Y257-L267 HydrophobicContact CD1-CG 4.36Å; Y257-L267 PolarHBondContact N-O 3.5Å; Y257-L267 PolarHBondContact O-N 2.81Å; Y257-L267 VanDerWaalsContact O-O 3.12Å; Y257-W283 HydrophobicContact CE2-CH2 4.28Å; Y257-W283 HydrophobicContact CE2-CZ3 4.48Å; Y257-W283 AromaticContact CZ-CZ3 3.97Å; Y257-W283 WeakPolarHBondContact OH-CZ3 3.4Å; Y257-A295 HydrophobicContact CD1-CB 4.47Å; Y257-A295 HydrophobicContact CE1-CB 4.4Å; Y257-P296 HydrophobicContact CD2-CG 3.98Å; Y257-P296 HydrophobicContact CE2-CG 3.93Å; Y257-P296 HydrophobicContact CG-CG 4.42Å
258S84.1Confident80.1Confident86 Ų8677.5 Ų77.560%0.60139%0.385SS*.  trans-102.7135.5177.7-55.60000110.1D266S258-D266 VanDerWaalsContact CA-OD1 3.32Å; S258-D266 WeakPolarHBondContact CA-OD1 3.38Å
259A84.6Confident81.5Confident36 Ų3679.9 Ų79.930%0.29839%0.389SS..  trans-60.5137.2172.600000110.2E264 D266A259-E264 HydrophobicContact CB-CB 3.79Å; A259-D266 PolarHBondContact N-OD1 2.6Å
260R70.7Confident81.9Confident214 Ų21479.7 Ų79.781%0.80840%0.402SS*.  trans-109.9-39.5177.4-60.8176.5174.7175.7-3110.4E264R260-E264 WeakPolarHBondContact CA-OE2 3.38Å; R260-E264 WeakPolarHBondContact CB-OE2 3.41Å; R260-E264 PolarHBondContact N-OE2 3.44Å
261D75.2Confident81.9Confident114 Ų11478.2 Ų78.261%0.6140%0.397SS*.SBendtrans-109160.4178.2-71.8-60.6000112.2D263 E264D261-D263 PolarHBondContact O-N 3.37Å; D261-E264 HydrophobicContact CB-CG 4.26Å; D261-E264 PolarHBondContact N-OE2 2.59Å; D261-E264 PolarHBondContact O-N 2.76Å; D261-E264 VanDerWaalsContact O-N 3.14Å
262Q66.2Low82Confident203 Ų20382.3 Ų82.395%0.94942%0.418SS*.THydrogen-bonded Turntrans-70-16.4-170-64-175.93.800114.5
263D78.9Confident82.1Confident123 Ų12380.8 Ų80.866%0.65841%0.408SS*.THydrogen-bonded Turntrans-94-3.4177-61.2-63.7000113D261 G293 W294D261-D263 PolarHBondContact O-N 3.37Å; D263-G293 CarbonylContact O-C 3.59Å; D263-G293 WeakPolarHBondContact O-CA 3.31Å; D263-W294 PolarHBondContact O-N 2.87Å
264E83.9Confident82.1Confident33 Ų3383.1 Ų83.115%0.15442%0.419CS..BIsolated β-bridgetrans-91.7163.8179-61.1178.413800111.5Y257 A259 R260 D261 W283 W294Y257-E264 PolarHBondContact OH-OE1 3.34Å; Y257-E264 PolarHBondContact OH-OE2 2.82Å; A259-E264 HydrophobicContact CB-CB 3.79Å; R260-E264 WeakPolarHBondContact CA-OE2 3.38Å; R260-E264 WeakPolarHBondContact CB-OE2 3.41Å; R260-E264 PolarHBondContact N-OE2 3.44Å; D261-E264 HydrophobicContact CB-CG 4.26Å; D261-E264 PolarHBondContact N-OE2 2.59Å; D261-E264 PolarHBondContact O-N 2.76Å; D261-E264 VanDerWaalsContact O-N 3.14Å; E264-W283 HydrophobicContact CG-CZ3 4.36Å; E264-W283 WeakPolarHBondContact OE1-CH2 3.45Å; E264-W283 VanDerWaalsContact OE1-CZ3 3.25Å; E264-W283 WeakPolarHBondContact OE1-CZ3 3.42Å; E264-W294 VanDerWaalsContact CA-O 3.31Å; E264-W294 WeakPolarHBondContact CA-O 3.31Å
265I83.4Confident82.2Confident18 Ų1881.5 Ų81.59%0.09241%0.411CS..  trans-131.9135179.5-170.8169.7000112.6I286 R291 W294 A295I265-I286 HydrophobicContact CG2-CD1 3.72Å; I265-I286 HydrophobicContact CG2-CG1 3.61Å; I265-R291 HydrophobicContact CD1-CB 3.89Å; I265-W294 PolarHBondContact N-O 2.82Å; I265-W294 VanDerWaalsContact N-O 3.08Å; I265-A295 HydrophobicContact CG2-CB 4.43Å
266D84.2Confident82.6Confident93 Ų9379.2 Ų79.250%0.49741%0.406SS..  trans-62.8137.3177.1-63.5-58.2000112.3S258 A259S258-D266 VanDerWaalsContact CA-OD1 3.32Å; S258-D266 WeakPolarHBondContact CA-OD1 3.38Å; A259-D266 PolarHBondContact N-OD1 2.6Å
267L87.3Confident82.5Confident8 Ų880.4 Ų80.44%0.04241%0.405CS..BIsolated β-bridgetrans-128.5140.1179.5-67.5-171.9000111.4V253 P256 Y257 V273 I286 A295 L300V253-L267 HydrophobicContact CG1-CB 3.95Å; V253-L267 HydrophobicContact CG1-CD1 4.34Å; V253-L267 HydrophobicContact CG2-CB 4.26Å; V253-L267 HydrophobicContact CG2-CD1 4.05Å; V253-L267 HydrophobicContact CG2-CD2 3.81Å; V253-L267 HydrophobicContact CG2-CG 4.28Å; P256-L267 CarbonylContact C-O 3.56Å; P256-L267 WeakPolarHBondContact CA-O 3.33Å; Y257-L267 HydrophobicContact CD1-CB 4.49Å; Y257-L267 HydrophobicContact CD1-CD1 4.48Å; Y257-L267 HydrophobicContact CD1-CG 4.36Å; Y257-L267 PolarHBondContact N-O 3.5Å; Y257-L267 PolarHBondContact O-N 2.81Å; Y257-L267 VanDerWaalsContact O-O 3.12Å; L267-V273 HydrophobicContact CD2-CG1 3.89Å; L267-I286 HydrophobicContact CD1-CD1 4.18Å; L267-I286 HydrophobicContact CD2-CD1 3.62Å; L267-I286 HydrophobicContact CG-CD1 4.29Å; L267-A295 HydrophobicContact CD1-CB 3.59Å; L267-A295 HydrophobicContact CG-CB 4.2Å; L267-L300 HydrophobicContact CD1-CD2 3.97Å
268E84.2Confident82.6Confident139 Ų13983.9 Ų83.965%0.6542%0.421SS*.  trans-126.7139.9178.5-165.4177-145.800108.4V253 G270 M271V253-E268 WeakPolarHBondContact CB-O 3.22Å; V253-E268 VanDerWaalsContact CG1-O 3.29Å; V253-E268 WeakPolarHBondContact CG1-O 3.35Å; E268-G270 PolarHBondContact O-N 3.38Å; E268-M271 HydrophobicContact CB-CG 4.13Å; E268-M271 HydrophobicContact CB-SD 3.39Å; E268-M271 WeakPolarHBondContact CB-SD 3.33Å; E268-M271 PolarHBondContact N-SD 2.9Å; E268-M271 WeakPolarHBondContact O-CB 3.35Å; E268-M271 WeakPolarHBondContact O-CG 3.43Å; E268-M271 PolarHBondContact O-N 2.95Å; E268-M271 VanDerWaalsContact O-N 3.09Å
269R82.2Confident82.4Confident166 Ų16681.7 Ų81.763%0.62640%0.402SS*.THydrogen-bonded Turntrans-57.8124.4-175.6171179.4-83.2175.6-5.8110.5I254 Y255I254-R269 PolarHBondContact O-NE 3.05Å; I254-R269 PolarHBondContact O-NH2 3.3Å; I254-R269 VanDerWaalsContact O-NH2 3.17Å; Y255-R269 VanDerWaalsContact CE1-NH2 3.34Å
270G78.1Confident81.2Confident53 Ų5388.8 Ų88.855%0.54643%0.434SS..THydrogen-bonded Turntrans98.2-10-179.900000115V253 E268V253-G270 PolarHBondContact O-N 2.69Å; E268-G270 PolarHBondContact O-N 3.38Å
271M84.6Confident80.8Confident28 Ų2886.1 Ų86.114%0.13843%0.431CS..  trans-57.8141.6169.9-74.4160.983.900110.7S252 V253 E268 V273 Y288S252-M271 WeakPolarHBondContact CA-O 3.38Å; V253-M271 HydrophobicContact CB-CB 4.33Å; V253-M271 HydrophobicContact CG2-CB 3.86Å; V253-M271 WeakPolarHBondContact CG2-O 3.3Å; V253-M271 PolarHBondContact N-O 2.87Å; E268-M271 HydrophobicContact CB-CG 4.13Å; E268-M271 HydrophobicContact CB-SD 3.39Å; E268-M271 WeakPolarHBondContact CB-SD 3.33Å; E268-M271 PolarHBondContact N-SD 2.9Å; E268-M271 WeakPolarHBondContact O-CB 3.35Å; E268-M271 WeakPolarHBondContact O-CG 3.43Å; E268-M271 PolarHBondContact O-N 2.95Å; E268-M271 VanDerWaalsContact O-N 3.09Å; M271-V273 HydrophobicContact CB-CG1 4.44Å; M271-Y288 HydrophobicContact CB-CE2 3.99Å; M271-Y288 HydrophobicContact CE-CD1 3.3Å; M271-Y288 HydrophobicContact CE-CD2 3.84Å; M271-Y288 HydrophobicContact CE-CE1 3.16Å; M271-Y288 HydrophobicContact CE-CE2 3.7Å; M271-Y288 HydrophobicContact CE-CG 3.64Å; M271-Y288 HydrophobicContact CG-CE2 4Å
272I88.2Confident80.8Confident100 Ų10082.3 Ų82.351%0.51342%0.419SS..EExtended strand (participates in β ladder)trans-100.1121.2170.6-59.8178000107.7K250 Y251 Y288K250-I272 HydrophobicContact CB-CG2 3.69Å; K250-I272 HydrophobicContact CD-CG2 4.49Å; Y251-I272 CarbonylContact O-C 3.55Å; Y251-I272 WeakPolarHBondContact O-CA 3.22Å; I272-Y288 WeakPolarHBondContact O-CD2 3.28Å
273V89.3Confident81.6Confident0 Ų076.7 Ų76.70%039%0.389CS..EExtended strand (participates in β ladder)trans-121.2151.6-177.6-52.90000110.7K250 Y251 V253 L267 M271 I286 Y288 L300K250-V273 WeakPolarHBondContact CA-O 3.48Å; Y251-V273 PolarHBondContact N-O 3.12Å; Y251-V273 PolarHBondContact O-N 2.89Å; V253-V273 HydrophobicContact CG2-CG1 3.98Å; L267-V273 HydrophobicContact CD2-CG1 3.89Å; M271-V273 HydrophobicContact CB-CG1 4.44Å; V273-I286 HydrophobicContact CB-CB 4.37Å; V273-I286 HydrophobicContact CB-CD1 4.1Å; V273-I286 HydrophobicContact CG1-CD1 4.13Å; V273-I286 HydrophobicContact CG2-CB 4.31Å; V273-I286 HydrophobicContact CG2-CD1 3.99Å; V273-I286 HydrophobicContact CG2-CG2 4.2Å; V273-Y288 HydrophobicContact CG1-CD2 3.91Å; V273-Y288 HydrophobicContact CG1-CG 4.4Å; V273-L300 HydrophobicContact CG2-CD1 4.34Å; V273-L300 HydrophobicContact CG2-CD2 3.6Å
274E88.3Confident82.1Confident52 Ų5273 Ų7324%0.24337%0.366CS..EExtended strand (participates in β ladder)trans-103.4123.4179.5-72.5156-170.800109.5E248 K250 I276 I286 R287E248-E274 HydrophobicContact CB-CG 4.47Å; K250-E274 HydrophobicContact CD-CG 4.05Å; K250-E274 HydrophobicContact CG-CG 4.16Å; K250-E274 IonicContact NZ-OE1 2.71Å; K250-E274 PolarHBondContact NZ-OE1 3.15Å; E274-I276 PolarHBondContact O-N 3.32Å; E274-I286 CarbonylContact O-C 3.54Å; E274-I286 VanDerWaalsContact O-CA 3.25Å; E274-I286 WeakPolarHBondContact O-CA 3.2Å; E274-R287 HydrophobicContact CB-CB 4.33Å; E274-R287 PolarHBondContact N-O 3.41Å; E274-R287 PolarHBondContact O-N 2.99Å
275V88.6Confident82.3Confident21 Ų2174.1 Ų74.113%0.12737%0.37CS..EExtended strand (participates in β ladder)trans-86.4113.4-179.1178.30000110.2E249 Y251 K278 W284 I286 L300E249-V275 PolarHBondContact O-N 2.92Å; Y251-V275 HydrophobicContact CD2-CB 4.13Å; Y251-V275 HydrophobicContact CD2-CG2 3.3Å; Y251-V275 HydrophobicContact CE2-CB 4.03Å; Y251-V275 HydrophobicContact CE2-CG2 3.56Å; Y251-V275 HydrophobicContact CG-CG2 3.95Å; V275-K278 HydrophobicContact CG1-CD 4.15Å; V275-K278 VanDerWaalsContact CG1-CE 3.48Å; V275-K278 HydrophobicContact CG1-CG 3.51Å; V275-W284 HydrophobicContact CG1-CB 4.05Å; V275-W284 HydrophobicContact CG1-CD2 4.16Å; V275-W284 HydrophobicContact CG1-CE3 4.06Å; V275-W284 HydrophobicContact CG1-CG 4.2Å; V275-W284 HydrophobicContact CG2-CD2 4.5Å; V275-W284 HydrophobicContact CG2-CE3 3.64Å; V275-W284 HydrophobicContact CG2-CZ3 4.22Å; V275-I286 HydrophobicContact CB-CG2 4.43Å; V275-I286 HydrophobicContact CG2-CG2 3.81Å; V275-L300 HydrophobicContact CG2-CD1 4.38Å
276I85.9Confident82.7Confident76 Ų7673.3 Ų73.339%0.3937%0.366SS..EExtended strand (participates in β ladder)trans-84.4-46.7177.6-54.7160.6000110.5E274 K285 R287 E292E274-I276 PolarHBondContact O-N 3.32Å; I276-K285 PolarHBondContact N-O 2.86Å; I276-R287 HydrophobicContact CD1-CB 3.93Å; I276-R287 HydrophobicContact CG1-CB 4.28Å; I276-E292 HydrophobicContact CD1-CB 4.46Å; I276-E292 HydrophobicContact CD1-CG 3.73Å; I276-E292 WeakPolarHBondContact CD1-OE1 3.35Å
277Q81.4Confident82.9Confident104 Ų10473.1 Ų73.149%0.48636%0.358SS..EExtended strand (participates in β ladder)trans-138.1136.5-170.6-166.4179.7-2.500110.3W284 K285 W294Q277-W284 CarbonylContact O-C 3.43Å; Q277-W284 VanDerWaalsContact O-CA 3.25Å; Q277-W284 WeakPolarHBondContact O-CA 3.33Å; Q277-K285 HydrophobicContact CB-CB 3.8Å; Q277-K285 PolarHBondContact N-O 3.42Å; Q277-K285 VanDerWaalsContact N-O 3.15Å; Q277-K285 PolarHBondContact O-N 3.48Å; Q277-W294 HydrophobicContact CG-CH2 4.41Å
278K85.4Confident82.7Confident95 Ų9575.4 Ų75.441%0.41337%0.367SS..EExtended strand (participates in β ladder)trans-118.8113.4179.7-62.1178.8-176169.30109.3E249 Y251 V275 W284E249-K278 IonicContact OE2-NZ 3.62Å; E249-K278 PolarHBondContact OE2-NZ 2.95Å; Y251-K278 PolarHBondContact OH-NZ 3.43Å; Y251-K278 VanDerWaalsContact OH-NZ 3.08Å; V275-K278 HydrophobicContact CG1-CD 4.15Å; V275-K278 VanDerWaalsContact CG1-CE 3.48Å; V275-K278 HydrophobicContact CG1-CG 3.51Å; K278-W284 VanDerWaalsContact CA-CD1 3.47Å; K278-W284 HydrophobicContact CB-CG 4.29Å; K278-W284 HydrophobicContact CD-CD2 4.39Å; K278-W284 HydrophobicContact CD-CZ2 4.13Å; K278-W284 HydrophobicContact CG-CD2 3.92Å; K278-W284 HydrophobicContact CG-CG 3.93Å; K278-W284 HydrophobicContact CG-CZ2 4.44Å
279N79.1Confident82.4Confident39 Ų3975.5 Ų75.521%0.20937%0.367CS..  trans-87.7168.2172.490.74.3000111.4E281 G282 W283 W294N279-E281 VanDerWaalsContact C-N 3.32Å; N279-E281 PolarHBondContact ND2-OE2 3.26Å; N279-E281 WeakPolarHBondContact OD1-CA 3.25Å; N279-E281 WeakPolarHBondContact OD1-CB 3.43Å; N279-E281 PolarHBondContact OD1-N 2.92Å; N279-G282 PolarHBondContact OD1-N 3.1Å; N279-G282 VanDerWaalsContact OD1-N 3.1Å; N279-W283 PolarHBondContact N-O 3.26Å; N279-W283 PolarHBondContact OD1-N 3.42Å; N279-W283 PolarHBondContact OD1-O 2.95Å; N279-W294 HydrophobicContact CB-CZ3 4.31Å
280L59.2Low82Confident186 Ų18670.9 Ų70.997%0.97437%0.371SS*.THydrogen-bonded Turntrans-87.1-0.4179.4-66.9174.5000113.5
281E62.2Low81.9Confident158 Ų15876.3 Ų76.374%0.73838%0.375SS*.THydrogen-bonded Turntrans-98-1.9-174.9-52.2170.8149.300111.9N279N279-E281 VanDerWaalsContact C-N 3.32Å; N279-E281 PolarHBondContact ND2-OE2 3.26Å; N279-E281 WeakPolarHBondContact OD1-CA 3.25Å; N279-E281 WeakPolarHBondContact OD1-CB 3.43Å; N279-E281 PolarHBondContact OD1-N 2.92Å
282G75.8Confident82.1Confident34 Ų3479 Ų7935%0.35139%0.387SS..SBendtrans92.912.4179.800000114.7N279 A297N279-G282 PolarHBondContact OD1-N 3.1Å; N279-G282 VanDerWaalsContact OD1-N 3.1Å; G282-A297 VanDerWaalsContact O-CB 3.26Å; G282-A297 WeakPolarHBondContact O-CB 3.39Å; G282-A297 PolarHBondContact O-N 2.83Å
283W83.1Confident82Confident85 Ų8574.3 Ų74.332%0.32236%0.364SS..EExtended strand (participates in β ladder)trans-113.4130.5175.7-67.685.7000110.9Y257 E264 N279 W294 P296Y257-W283 HydrophobicContact CE2-CH2 4.28Å; Y257-W283 HydrophobicContact CE2-CZ3 4.48Å; Y257-W283 AromaticContact CZ-CZ3 3.97Å; Y257-W283 WeakPolarHBondContact OH-CZ3 3.4Å; E264-W283 HydrophobicContact CG-CZ3 4.36Å; E264-W283 WeakPolarHBondContact OE1-CH2 3.45Å; E264-W283 VanDerWaalsContact OE1-CZ3 3.25Å; E264-W283 WeakPolarHBondContact OE1-CZ3 3.42Å; N279-W283 PolarHBondContact N-O 3.26Å; N279-W283 PolarHBondContact OD1-N 3.42Å; N279-W283 PolarHBondContact OD1-O 2.95Å; W283-W294 HydrophobicContact CB-CE3 4.02Å; W283-W294 HydrophobicContact CE3-CB 4.17Å; W283-P296 HydrophobicContact CE3-CG 4.23Å; W283-P296 HydrophobicContact CH2-CG 3.97Å; W283-P296 HydrophobicContact CZ2-CG 4.43Å; W283-P296 HydrophobicContact CZ3-CG 3.85Å
284W90.4Very high81.9Confident45 Ų4577.5 Ų77.517%0.1738%0.376CS..EExtended strand (participates in β ladder)trans-115.6132.2179-68-5.3000109.5Y251 V275 Q277 K278 I286 A295 A297 L300Y251-W284 AromaticContact CD1-CZ3 3.75Å; Y251-W284 HydrophobicContact CD1-CZ3 3.75Å; Y251-W284 HydrophobicContact CE1-CE3 4.46Å; Y251-W284 AromaticContact CE1-CH2 3.75Å; Y251-W284 HydrophobicContact CE1-CH2 3.75Å; Y251-W284 AromaticContact CE1-CZ3 3.33Å; Y251-W284 HydrophobicContact CE1-CZ3 3.33Å; Y251-W284 HydrophobicContact CE2-CZ3 4.27Å; Y251-W284 HydrophobicContact CG-CZ3 4.41Å; Y251-W284 AromaticContact CZ-CH2 3.99Å; Y251-W284 AromaticContact CZ-CZ3 3.61Å; V275-W284 HydrophobicContact CG1-CB 4.05Å; V275-W284 HydrophobicContact CG1-CD2 4.16Å; V275-W284 HydrophobicContact CG1-CE3 4.06Å; V275-W284 HydrophobicContact CG1-CG 4.2Å; V275-W284 HydrophobicContact CG2-CD2 4.5Å; V275-W284 HydrophobicContact CG2-CE3 3.64Å; V275-W284 HydrophobicContact CG2-CZ3 4.22Å; Q277-W284 CarbonylContact O-C 3.43Å; Q277-W284 VanDerWaalsContact O-CA 3.25Å; Q277-W284 WeakPolarHBondContact O-CA 3.33Å; K278-W284 VanDerWaalsContact CA-CD1 3.47Å; K278-W284 HydrophobicContact CB-CG 4.29Å; K278-W284 HydrophobicContact CD-CD2 4.39Å; K278-W284 HydrophobicContact CD-CZ2 4.13Å; K278-W284 HydrophobicContact CG-CD2 3.92Å; K278-W284 HydrophobicContact CG-CG 3.93Å; K278-W284 HydrophobicContact CG-CZ2 4.44Å; W284-I286 HydrophobicContact CB-CG2 4.27Å; W284-I286 PolarHBondContact O-N 3.29Å; W284-A295 PolarHBondContact N-O 2.88Å; W284-A295 PolarHBondContact O-N 3.3Å; W284-A297 HydrophobicContact CD2-CB 3.55Å; W284-A297 HydrophobicContact CE3-CB 4.08Å; W284-A297 HydrophobicContact CG-CB 3.82Å; W284-A297 HydrophobicContact CH2-CB 4.32Å; W284-A297 HydrophobicContact CZ2-CB 3.85Å; W284-A297 HydrophobicContact CZ3-CB 4.42Å; W284-L300 HydrophobicContact CE3-CB 4.34Å; W284-L300 HydrophobicContact CE3-CD1 3.8Å; W284-L300 HydrophobicContact CZ3-CB 4.2Å; W284-L300 HydrophobicContact CZ3-CD1 4.46Å
285K87.4Confident81.9Confident57 Ų5775 Ų7525%0.24836%0.364CS..EExtended strand (participates in β ladder)trans-78.5118.5170.5-159.6-164.6-174.7-159.90107.5I276 Q277 E292 G293 W294I276-K285 PolarHBondContact N-O 2.86Å; Q277-K285 HydrophobicContact CB-CB 3.8Å; Q277-K285 PolarHBondContact N-O 3.42Å; Q277-K285 VanDerWaalsContact N-O 3.15Å; Q277-K285 PolarHBondContact O-N 3.48Å; K285-E292 WeakPolarHBondContact CE-OE2 3.47Å; K285-E292 IonicContact NZ-OE2 3.46Å; K285-E292 PolarHBondContact NZ-OE2 3.31Å; K285-G293 WeakPolarHBondContact CA-O 3.43Å; K285-W294 HydrophobicContact CB-CD2 4.06Å; K285-W294 HydrophobicContact CB-CE3 3.92Å; K285-W294 HydrophobicContact CB-CH2 4.03Å; K285-W294 HydrophobicContact CB-CZ2 4.16Å; K285-W294 HydrophobicContact CB-CZ3 3.92Å; K285-W294 HydrophobicContact CG-CD2 4.36Å; K285-W294 VanDerWaalsContact N-CE3 3.32Å
286I91.4Very high81.8Confident0 Ų074.6 Ų74.60%036%0.362CS..EExtended strand (participates in β ladder)trans-119.5154.6-174.759171000111.1I265 L267 V273 E274 V275 W284 E292 G293 A295 L300I265-I286 HydrophobicContact CG2-CD1 3.72Å; I265-I286 HydrophobicContact CG2-CG1 3.61Å; L267-I286 HydrophobicContact CD1-CD1 4.18Å; L267-I286 HydrophobicContact CD2-CD1 3.62Å; L267-I286 HydrophobicContact CG-CD1 4.29Å; V273-I286 HydrophobicContact CB-CB 4.37Å; V273-I286 HydrophobicContact CB-CD1 4.1Å; V273-I286 HydrophobicContact CG1-CD1 4.13Å; V273-I286 HydrophobicContact CG2-CB 4.31Å; V273-I286 HydrophobicContact CG2-CD1 3.99Å; V273-I286 HydrophobicContact CG2-CG2 4.2Å; E274-I286 CarbonylContact O-C 3.54Å; E274-I286 VanDerWaalsContact O-CA 3.25Å; E274-I286 WeakPolarHBondContact O-CA 3.2Å; V275-I286 HydrophobicContact CB-CG2 4.43Å; V275-I286 HydrophobicContact CG2-CG2 3.81Å; W284-I286 HydrophobicContact CB-CG2 4.27Å; W284-I286 PolarHBondContact O-N 3.29Å; I286-E292 VanDerWaalsContact O-CA 3.31Å; I286-E292 WeakPolarHBondContact O-CA 3.46Å; I286-G293 WeakPolarHBondContact CG1-O 3.29Å; I286-G293 PolarHBondContact N-O 3.11Å; I286-G293 PolarHBondContact O-N 3Å; I286-G293 VanDerWaalsContact O-N 3.1Å; I286-A295 HydrophobicContact CD1-CB 3.6Å; I286-A295 HydrophobicContact CG1-CB 4.18Å; I286-L300 HydrophobicContact CG2-CD1 3.78Å
287R89.1Confident81.8Confident89 Ų8971.8 Ų71.834%0.33635%0.35SS..EExtended strand (participates in β ladder)trans-108133.8170.2-162176.9-72.9146.3-4.5109.7E274 I276 R291 E292E274-R287 HydrophobicContact CB-CB 4.33Å; E274-R287 PolarHBondContact N-O 3.41Å; E274-R287 PolarHBondContact O-N 2.99Å; I276-R287 HydrophobicContact CD1-CB 3.93Å; I276-R287 HydrophobicContact CG1-CB 4.28Å; R287-R291 CarbonylContact C-O 3.44Å; R287-R291 WeakPolarHBondContact CA-O 3.4Å; R287-E292 HydrophobicContact CB-CG 4.29Å; R287-E292 HydrophobicContact CG-CG 3.98Å; R287-E292 IonicContact CZ-OE1 2.88Å; R287-E292 VanDerWaalsContact CZ-OE1 3.22Å; R287-E292 IonicContact NE-OE1 3.88Å; R287-E292 PolarHBondContact NE-OE1 3.4Å; R287-E292 IonicContact NH2-OE1 2.68Å; R287-E292 PolarHBondContact NH2-OE1 3.13Å
288Y83.1Confident82Confident57 Ų5771 Ų7122%0.22436%0.357CS..EExtended strand (participates in β ladder)trans-142.1125.8170.1-176.3-98.4000110.5M271 I272 V273 G290 R291M271-Y288 HydrophobicContact CB-CE2 3.99Å; M271-Y288 HydrophobicContact CE-CD1 3.3Å; M271-Y288 HydrophobicContact CE-CD2 3.84Å; M271-Y288 HydrophobicContact CE-CE1 3.16Å; M271-Y288 HydrophobicContact CE-CE2 3.7Å; M271-Y288 HydrophobicContact CE-CG 3.64Å; M271-Y288 HydrophobicContact CG-CE2 4Å; I272-Y288 WeakPolarHBondContact O-CD2 3.28Å; V273-Y288 HydrophobicContact CG1-CD2 3.91Å; V273-Y288 HydrophobicContact CG1-CG 4.4Å; Y288-G290 PolarHBondContact O-N 3.49Å; Y288-G290 VanDerWaalsContact O-N 3.08Å; Y288-R291 PolarHBondContact N-O 2.82Å; Y288-R291 PolarHBondContact O-N 3.03Å
289Q76.9Confident81.9Confident140 Ų14070.4 Ų70.465%0.65435%0.352SS*.THydrogen-bonded Turntrans47.337.1-177.7-66.5179.27.300114.1R291Q289-R291 PolarHBondContact O-N 2.96Å
290G73.9Confident82.3Confident69 Ų6969.2 Ų69.271%0.71135%0.345SS*.THydrogen-bonded Turntrans76.4-1.3-17900000115.8Y288Y288-G290 PolarHBondContact O-N 3.49Å; Y288-G290 VanDerWaalsContact O-N 3.08Å
291R77.2Confident83.6Confident167 Ų16766.6 Ų66.663%0.6333%0.326SS*.EExtended strand (participates in β ladder)trans-87.5146.5163.2-76.8176.4-84.6-174.2-3.8109.7I265 R287 Y288 Q289I265-R291 HydrophobicContact CD1-CB 3.89Å; R287-R291 CarbonylContact C-O 3.44Å; R287-R291 WeakPolarHBondContact CA-O 3.4Å; Y288-R291 PolarHBondContact N-O 2.82Å; Y288-R291 PolarHBondContact O-N 3.03Å; Q289-R291 PolarHBondContact O-N 2.96Å
292E88.5Confident84.6Confident84 Ų8464.6 Ų64.639%0.39332%0.315SS..EExtended strand (participates in β ladder)trans-122.7141.6175.2-63.8-174-178.100109.7I276 K285 I286 R287I276-E292 HydrophobicContact CD1-CB 4.46Å; I276-E292 HydrophobicContact CD1-CG 3.73Å; I276-E292 WeakPolarHBondContact CD1-OE1 3.35Å; K285-E292 WeakPolarHBondContact CE-OE2 3.47Å; K285-E292 IonicContact NZ-OE2 3.46Å; K285-E292 PolarHBondContact NZ-OE2 3.31Å; I286-E292 VanDerWaalsContact O-CA 3.31Å; I286-E292 WeakPolarHBondContact O-CA 3.46Å; R287-E292 HydrophobicContact CB-CG 4.29Å; R287-E292 HydrophobicContact CG-CG 3.98Å; R287-E292 IonicContact CZ-OE1 2.88Å; R287-E292 VanDerWaalsContact CZ-OE1 3.22Å; R287-E292 IonicContact NE-OE1 3.88Å; R287-E292 PolarHBondContact NE-OE1 3.4Å; R287-E292 IonicContact NH2-OE1 2.68Å; R287-E292 PolarHBondContact NH2-OE1 3.13Å
293G85.7Confident84.2Confident2 Ų264.6 Ų64.62%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-170.3173.3173.800000111.5D263 K285 I286D263-G293 CarbonylContact O-C 3.59Å; D263-G293 WeakPolarHBondContact O-CA 3.31Å; K285-G293 WeakPolarHBondContact CA-O 3.43Å; I286-G293 WeakPolarHBondContact CG1-O 3.29Å; I286-G293 PolarHBondContact N-O 3.11Å; I286-G293 PolarHBondContact O-N 3Å; I286-G293 VanDerWaalsContact O-N 3.1Å
294W87.9Confident82.6Confident67 Ų6765.6 Ų65.625%0.25432%0.322SS..EExtended strand (participates in β ladder)trans-82.7143.9175.6-63.996.6000111.5D263 E264 I265 Q277 N279 W283 K285D263-W294 PolarHBondContact O-N 2.87Å; E264-W294 VanDerWaalsContact CA-O 3.31Å; E264-W294 WeakPolarHBondContact CA-O 3.31Å; I265-W294 PolarHBondContact N-O 2.82Å; I265-W294 VanDerWaalsContact N-O 3.08Å; Q277-W294 HydrophobicContact CG-CH2 4.41Å; N279-W294 HydrophobicContact CB-CZ3 4.31Å; W283-W294 HydrophobicContact CB-CE3 4.02Å; W283-W294 HydrophobicContact CE3-CB 4.17Å; K285-W294 HydrophobicContact CB-CD2 4.06Å; K285-W294 HydrophobicContact CB-CE3 3.92Å; K285-W294 HydrophobicContact CB-CH2 4.03Å; K285-W294 HydrophobicContact CB-CZ2 4.16Å; K285-W294 HydrophobicContact CB-CZ3 3.92Å; K285-W294 HydrophobicContact CG-CD2 4.36Å; K285-W294 VanDerWaalsContact N-CE3 3.32Å
295A88.3Confident81Confident0 Ų069.3 Ų69.30%034%0.343CS..EExtended strand (participates in β ladder)trans-147.3157.4168.900000111.4Y257 I265 L267 W284 I286 A297Y257-A295 HydrophobicContact CD1-CB 4.47Å; Y257-A295 HydrophobicContact CE1-CB 4.4Å; I265-A295 HydrophobicContact CG2-CB 4.43Å; L267-A295 HydrophobicContact CD1-CB 3.59Å; L267-A295 HydrophobicContact CG-CB 4.2Å; W284-A295 PolarHBondContact N-O 2.88Å; W284-A295 PolarHBondContact O-N 3.3Å; I286-A295 HydrophobicContact CD1-CB 3.6Å; I286-A295 HydrophobicContact CG1-CB 4.18Å; A295-A297 PolarHBondContact O-N 2.87Å
296P85.9Confident78.8Confident13 Ų1375 Ų758%0.08437%0.371CS..EExtended strand (participates in β ladder)trans-65.8126.6-179.9-22.134000112.8Y257 W283 S298 Y299Y257-P296 HydrophobicContact CD2-CG 3.98Å; Y257-P296 HydrophobicContact CE2-CG 3.93Å; Y257-P296 HydrophobicContact CG-CG 4.42Å; W283-P296 HydrophobicContact CE3-CG 4.23Å; W283-P296 HydrophobicContact CH2-CG 3.97Å; W283-P296 HydrophobicContact CZ2-CG 4.43Å; W283-P296 HydrophobicContact CZ3-CG 3.85Å; P296-S298 PolarHBondContact O-N 3.34Å; P296-Y299 HydrophobicContact CB-CD2 3.71Å; P296-Y299 HydrophobicContact CB-CE2 4.25Å; P296-Y299 HydrophobicContact CB-CG 4.27Å; P296-Y299 HydrophobicContact CG-CD2 4.26Å; P296-Y299 WeakPolarHBondContact O-CB 3.4Å; P296-Y299 PolarHBondContact O-N 3.18Å
297A85.8Confident76.2Confident17 Ų1780.1 Ų80.114%0.1441%0.407CS..G310 helixtrans-58.4-31.3177.700000113.1G282 W284 A295 Y299 L300G282-A297 VanDerWaalsContact O-CB 3.26Å; G282-A297 WeakPolarHBondContact O-CB 3.39Å; G282-A297 PolarHBondContact O-N 2.83Å; W284-A297 HydrophobicContact CD2-CB 3.55Å; W284-A297 HydrophobicContact CE3-CB 4.08Å; W284-A297 HydrophobicContact CG-CB 3.82Å; W284-A297 HydrophobicContact CH2-CB 4.32Å; W284-A297 HydrophobicContact CZ2-CB 3.85Å; W284-A297 HydrophobicContact CZ3-CB 4.42Å; A295-A297 PolarHBondContact O-N 2.87Å; A297-Y299 PolarHBondContact O-N 2.99Å; A297-L300 PolarHBondContact O-N 2.96Å; A297-L300 VanDerWaalsContact O-N 3.17Å
298S86.4Confident73.8Confident88 Ų8883.7 Ų83.762%0.61543%0.427SS*.G310 helixtrans-68.5-12.7176.949.10000114.1P296P296-S298 PolarHBondContact O-N 3.34Å
299Y83.2Confident71.6Confident82 Ų8292.1 Ų92.132%0.32246%0.459SS..G310 helixtrans-94.5-0.2177-73.5-129.2000111.4V253 I254 Y255 P256 P296 A297V253-Y299 WeakPolarHBondContact CA-O 3.35Å; I254-Y299 VanDerWaalsContact CG1-O 3.3Å; I254-Y299 WeakPolarHBondContact CG1-O 3.47Å; I254-Y299 PolarHBondContact N-O 2.94Å; Y255-Y299 WeakPolarHBondContact O-CD1 3.38Å; P256-Y299 WeakPolarHBondContact O-CE1 3.42Å; P296-Y299 HydrophobicContact CB-CD2 3.71Å; P296-Y299 HydrophobicContact CB-CE2 4.25Å; P296-Y299 HydrophobicContact CB-CG 4.27Å; P296-Y299 HydrophobicContact CG-CD2 4.26Å; P296-Y299 WeakPolarHBondContact O-CB 3.4Å; P296-Y299 PolarHBondContact O-N 3.18Å; A297-Y299 PolarHBondContact O-N 2.99Å
300L87.5Confident69.8Low13 Ų1394.6 Ų94.67%0.06847%0.47CS..EExtended strand (participates in β ladder)trans-120123.4-172.3-59.5178.5000111.7Y251 V253 L267 V273 V275 W284 I286 A297Y251-L300 HydrophobicContact CD1-CB 4.08Å; Y251-L300 HydrophobicContact CG-CB 4.39Å; V253-L300 HydrophobicContact CG2-CD2 3.85Å; L267-L300 HydrophobicContact CD1-CD2 3.97Å; V273-L300 HydrophobicContact CG2-CD1 4.34Å; V273-L300 HydrophobicContact CG2-CD2 3.6Å; V275-L300 HydrophobicContact CG2-CD1 4.38Å; W284-L300 HydrophobicContact CE3-CB 4.34Å; W284-L300 HydrophobicContact CE3-CD1 3.8Å; W284-L300 HydrophobicContact CZ3-CB 4.2Å; W284-L300 HydrophobicContact CZ3-CD1 4.46Å; I286-L300 HydrophobicContact CG2-CD1 3.78Å; A297-L300 PolarHBondContact O-N 2.96Å; A297-L300 VanDerWaalsContact O-N 3.17Å
301K85.8Confident68.2Low132 Ų13296 Ų9657%0.57447%0.469SS*.EExtended strand (participates in β ladder)trans-110.9128.7177.9-177.1176.9177.9-179.40110.6Y251 S252 I254 S303Y251-K301 CarbonylContact C-O 3.57Å; Y251-K301 VanDerWaalsContact CA-O 3.28Å; Y251-K301 WeakPolarHBondContact CA-O 3.43Å; S252-K301 PolarHBondContact N-O 2.79Å; S252-K301 PolarHBondContact O-N 2.89Å; S252-K301 PolarHBondContact OG-O 3.18Å; I254-K301 HydrophobicContact CG2-CB 3.6Å; I254-K301 HydrophobicContact CG2-CD 3.98Å; I254-K301 HydrophobicContact CG2-CG 4.45Å; K301-S303 PolarHBondContact O-N 2.82Å
302K83.1Confident66.2Low116 Ų11693 Ų9350%0.50448%0.48SS..EExtended strand (participates in β ladder)trans-61.8121.3179.1-177168.1172170.10109.6E249 Y251E249-K302 WeakPolarHBondContact OE1-CE 3.22Å; E249-K302 IonicContact OE1-NZ 3.88Å; E249-K302 PolarHBondContact OE1-NZ 3.46Å; Y251-K302 VanDerWaalsContact CD1-CA 3.46Å; Y251-K302 HydrophobicContact CD1-CB 4.03Å; Y251-K302 VanDerWaalsContact CD1-N 3.26Å; Y251-K302 HydrophobicContact CE1-CB 3.6Å; Y251-K302 HydrophobicContact CE1-CG 4.35Å
303S67.8Low63.3Low34 Ų3493 Ų9324%0.23850%0.503CS..  trans-93.7107.2-179.8-62.10000109.5K250 S252 K301 I305K250-S303 WeakPolarHBondContact O-CB 3.5Å; K250-S303 PolarHBondContact O-N 3.08Å; K250-S303 VanDerWaalsContact O-N 3.12Å; S252-S303 VanDerWaalsContact CB-OG 3.26Å; S252-S303 WeakPolarHBondContact CB-OG 3.41Å; S252-S303 PolarHBondContact N-OG 2.77Å; S252-S303 VanDerWaalsContact N-OG 3.1Å; S252-S303 PolarHBondContact OG-OG 2.69Å; K301-S303 PolarHBondContact O-N 2.82Å; S303-I305 PolarHBondContact O-N 3.23Å
304D50.3Low60.5Low106 Ų10698 Ų9857%0.56754%0.544SS*.  trans-80.6105.6178.7-153.9-32.4000110.8Q306 S307D304-Q306 PolarHBondContact O-N 2.97Å; D304-S307 PolarHBondContact O-N 3.3Å
305I56.4Low57.8Low123 Ų12399.5 Ų99.563%0.63157%0.571SS**G310 helixtrans-65.8-12.4-169.9-70.5174.2000112.4S303 S307S303-I305 PolarHBondContact O-N 3.23Å; I305-S307 VanDerWaalsContact C-N 3.33Å; I305-S307 PolarHBondContact O-N 3.31Å
306Q40.7Very low55.1Low176 Ų176103.7 Ų103.782%0.82261%0.605SS**G310 helixtrans-69.8-24.6176.4-59.1-165.515.600114D304D304-Q306 PolarHBondContact O-N 2.97Å
307S36.4Very low52.4Low108 Ų108112 Ų11276%0.75564%0.642SS**G310 helixtrans-84.6-15.3-175.6-69.90000115D304 I305D304-S307 PolarHBondContact O-N 3.3Å; I305-S307 VanDerWaalsContact C-N 3.33Å; I305-S307 PolarHBondContact O-N 3.31Å
308Q38.2Very low49.6Very low164 Ų164115.6 Ų115.677%0.76667%0.673SS**SBendtrans-106.647.2-174.1-158.2167.7-0.900113.2
309R37.3Very low46.9Very low233 Ų233116.7 Ų116.788%0.87968%0.68SS**SBendtrans-128.221.9172.4-138.8-178.5-166.2-141.82.6114.7
310Q39.5Very low44.4Very low192 Ų192118.1 Ų118.190%0.89770%0.698SS**SBendtrans-127.741.4175-64.4-169.56.500112.4
311S39.5Very low41.7Very low98 Ų98124 Ų12469%0.68573%0.729SS**SBendtrans-156.328.5-179.948.80000115.5
312A35.1Very low39.1Very low104 Ų104124.9 Ų124.986%0.8674%0.74SS**SBendtrans-159135.9165.300000112.6
313G28.2Very low36.6Very low86 Ų86126.9 Ų126.989%0.88776%0.756SS**  trans75.977.1155.200000118.3
314A28Very low34.8Very low107 Ų107133.6 Ų133.688%0.88478%0.783SS**  trans-137.8108.1156.100000109.5
315A30.5Very low33.8Very low98 Ų98132 Ų13281%0.8179%0.792SS**  trans-151.7142.4177.600000109.9
316A30.6Very low32.5Very low87 Ų87132.2 Ų132.272%0.71980%0.798SS**  trans61.6116.6-171.300000113.9
317H30.3Very low32Very low187 Ų187129.1 Ų129.187%0.86680%0.796SS**  cis-129.6-170.32.8-61.2-89.6000108.7
318A27.5Very low31.7Very low94 Ų94132.2 Ų132.278%0.77780%0.796SS**  cis-155.5-171.512.600000112.2
319S29.8Very low31.4Very low110 Ų110132.1 Ų132.177%0.76980%0.796SS**  trans-62.6164.6165.3-44.70000111.6
320T29.2Very low30.9Very low113 Ų113127.4 Ų127.469%0.69379%0.788SS**  cis-152.5155.332.756.40000113.5
321N31Very low30.5Very low135 Ų135124.8 Ų124.872%0.72278%0.779SS**  trans61.7114.1153.6-53.31.7000117.5
322D31.5Very low30.1Very low151 Ų151127 Ų12781%0.80778%0.779SS**  72.4106.769.7-67.7-53.2000114.8
323L31Very low29.8Very low159 Ų159128 Ų12883%0.83277%0.769SS**  -168.8169.2108.3-153.455.7000112.8
324E29.4Very low29.8Very low175 Ų175131.3 Ų131.382%0.81877%0.767SS**  trans-60168.3-173.5-60.5162.3109.500117.2
325G28.9Very low29.8Very low72 Ų72130 Ų13074%0.74276%0.756SS**  cis171.7159.4-6.100000117.2
326V30.1Very low29.7Very low128 Ų128137.1 Ų137.178%0.77676%0.762SS**  trans13.4124.9156.2-160.30000122
327S30.1Very low29.6Very low111 Ų111140 Ų14078%0.77677%0.766SS**  trans149157.1131.2-74.10000112.8
328K30.4Very low29.4Very low173 Ų173136.8 Ų136.875%0.75276%0.755SS**  cis169.8144.3-33.4-114.7-174.9178.7-178.80106.6
329Q31.2Very low29.6Very low162 Ų162140.1 Ų140.176%0.75775%0.754SS**  trans73.7113.5151.1-90-176.7-81.700124.4
330N26.3Very low29.6Very low134 Ų134142.1 Ų142.172%0.71775%0.749SS**  100.9160.1112.2-139.112.5000122.2
331L32.5Very low29.5Very low136 Ų136143.9 Ų143.971%0.71275%0.749SS**  trans-79.3158.3-170.3-77.150.7000114.6
332Q30.8Very low29.3Very low144 Ų144144 Ų14467%0.67375%0.75SS**  163.6128.9102.1-160.171.721.300114.8
333N28.6Very low29.2Very low125 Ų125145.4 Ų145.467%0.66874%0.744SS**  trans31131.2154.2-59.5-2.6000125.9
334N28.1Very low29.1Very low157 Ų157143 Ų14384%0.8473%0.732SS**  91.2123.8129.3-97.1-15.9000125.3
335A28.9Very low29.3Very low79 Ų79139.3 Ų139.365%0.65373%0.725SS**  87.399.1129.700000123.6
336R28.3Very low29.1Very low247 Ų247143.2 Ų143.293%0.93273%0.727SS**  trans64.4116.9137.3-62.1-178.3177.4176.30.1121.4
337D26.7Very low29.2Very low149 Ų149147.1 Ų147.180%0.79773%0.734SS**  -153.7-159.7108.8-145.8-32.6000111.8
338N26.3Very low29.2Very low119 Ų119147.2 Ų147.264%0.63673%0.734SS**  trans-91.8152.7-151-101.8-93.9000118.8
339Q31.5Very low29Very low163 Ų163145.3 Ų145.376%0.76273%0.732SS**  trans66.9147.2152.5-66165.542.400116.5
340K30.8Very low28.9Very low153 Ų153142.2 Ų142.267%0.66572%0.721SS**  cis-158.8158.822.7-149159.4161.5-87.40110.4
341E26.9Very low29.1Very low149 Ų149141.7 Ų141.770%0.69672%0.718SS**  trans59.4116.8167.3-75.7137.9-138.500118.1
342N27.1Very low29.1Very low138 Ų138143.7 Ų143.774%0.73872%0.721SS**  cis73.1123.730.2-150.531.3000112.7
343R28.8Very low29.2Very low180 Ų180145.3 Ų145.368%0.67973%0.733SS**  cis-133.4141.318.3-98-165.964.8112.14.6112.1
344L29Very low29.4Very low110 Ų110148.6 Ų148.658%0.57674%0.741SS**  51.3112.193.8-54.6178.9000114.7
345S34.2Very low29.4Very low96 Ų96148 Ų14867%0.67174%0.743SS**  65125.462.682.20000114.8
346I24.9Very low29.3Very low154 Ų154147.2 Ų147.279%0.7974%0.743SS**  trans-142.7105.9169.4-59-178.5000109.7
347F32.7Very low29.2Very low211 Ų211140.4 Ų140.493%0.92573%0.733SS**  trans-84.9153.2132.5-80.7-94.2000107.3
348S28.5Very low29.1Very low112 Ų112143.9 Ų143.978%0.78374%0.735SS**  trans-166.9131.5148.7-156.20000111.3
349D27.3Very low29.2Very low133 Ų133147 Ų14771%0.71175%0.745SS**  trans-94.1-173167.4-95.2-64.2000112.3
350N28.3Very low28.8Very low97 Ų97142.7 Ų142.752%0.51975%0.745SS.*  trans-45.1171.9173.5-85.6-53000115.9E885N350-E885 PolarHBondContact ND2-OE1 2.95Å; N350-E885 PolarHBondContact ND2-OE2 2.8Å
351N31.8Very low28.7Very low123 Ų123143.5 Ų143.566%0.65876%0.756SS**  cis-158.3-16231.2-148.5-28.8000114.5
352K32.3Very low29.4Very low178 Ų178141.2 Ų141.277%0.77475%0.754SS**  trans-89168.2-174.3-50.6138-169.3154.60114
353I32.5Very low29.6Very low178 Ų178141 Ų14191%0.91376%0.76SS**  trans-167.5173.3139.4-104157.8000111.6
354K32.4Very low29.8Very low194 Ų194140.3 Ų140.384%0.84376%0.757SS**  trans-149.3170.8-163-138.3178.2-172.6178.90113
355V29.1Very low30.1Very low144 Ų144146.6 Ų146.687%0.87377%0.773SS**  trans79.4136.7173.7-168.30000115.5
356G25.4Very low29.8Very low64 Ų64147.8 Ų147.866%0.6677%0.773SS**  cis166.8169.3-12.200000115.4
357S26Very low30.6Very low104 Ų104146.5 Ų146.573%0.72777%0.767SS**  trans83.8114.3159.3-54.90000122.9
358R26.3Very low30.6Very low222 Ų222142.7 Ų142.784%0.83876%0.76SS**  trans62.7158.6143.9-54.3178-171.7-92-1.1119
359H27Very low31Very low183 Ų183144.5 Ų144.585%0.84776%0.76SS**  cis-173.2133.8-42.5-102.8-51000107
360G24.2Very low31.5Very low74 Ų74143.9 Ų143.976%0.76376%0.763SS**  trans-171129.3174.800000114.2
361L27.3Very low31.9Very low169 Ų169151 Ų15189%0.88578%0.783SS**  trans-153.8169.3-175.8-73.8176.3000108.1
362P42.2Very low31.8Very low102 Ų102148.8 Ų148.866%0.66279%0.788SS**  cis-125.8-147.1-2037.7-17.9000110.3
363P32.4Very low32.1Very low133 Ų133144.4 Ų144.486%0.86479%0.786SS**  -125.6178.1114.137.3-33.7000114.4
364R33Very low32.2Very low165 Ų165143.8 Ų143.862%0.62378%0.784SS**  trans-146.3147.3-150.2170.9-162.6-172.9136.4-1.4112.1D366R364-D366 IonicContact CZ-OD1 3.52Å; R364-D366 IonicContact NE-OD1 3.57Å; R364-D366 PolarHBondContact NE-OD1 3.18Å; R364-D366 VanDerWaalsContact NE-OD1 3.08Å; R364-D366 IonicContact NH2-OD1 2.69Å
365R33.7Very low32.6Very low242 Ų242142.3 Ų142.391%0.91379%0.785SS**  trans-176.7133.2149.642.9-170.1155.1119.1-3.7113
366D29.3Very low33Very low122 Ų122140.9 Ų140.965%0.65278%0.779SS**  cis-153.9-175.5-29-134.6-30.6000113.8R364R364-D366 IonicContact CZ-OD1 3.52Å; R364-D366 IonicContact NE-OD1 3.57Å; R364-D366 PolarHBondContact NE-OD1 3.18Å; R364-D366 VanDerWaalsContact NE-OD1 3.08Å; R364-D366 IonicContact NH2-OD1 2.69Å
367L39.9Very low33.7Very low127 Ų127147.4 Ų147.467%0.66579%0.789SS**  trans-72.1137.9-170.5-65.5159.4000116.7
368T32.8Very low34.2Very low130 Ų130147.7 Ų147.780%0.79879%0.788SS**  trans-144.880.3144.8-56.60000112
369I37.7Very low34.8Very low151 Ų151142.9 Ų142.977%0.77479%0.785SS**  trans64177.7155.3-11.6-176.2000116.5
370P37.9Very low35.6Very low120 Ų120140.5 Ų140.578%0.77978%0.783SS**  -120.6179.2-103.442-28.5000118
371R35.8Very low36.3Very low247 Ų247141.9 Ų141.993%0.93278%0.779SS**  trans-77.8157.2179.4-65.3177.5170.6125.9-5114.9
372G30.6Very low36.7Very low75 Ų75139.2 Ų139.277%0.77377%0.772SS**  trans176.168.9162.800000111.7
373A39.6Very low36.5Very low87 Ų87143.4 Ų143.472%0.71978%0.78SS**  60.96465.100000114.4
374N34.6Very low36.8Very low164 Ų164142.8 Ų142.888%0.87777%0.773SS**  trans-159.497.3150-116.1-85.3000111.3
375L39.6Very low37.8Very low164 Ų164142 Ų14286%0.85978%0.777SS**  trans-132.3138.6157.8-80.8173.9000106.8
376P38.1Very low39.2Very low114 Ų114135.1 Ų135.174%0.7476%0.755SS**PPolyproline II helixtrans-64.7147.3178.627.9-34.2000110.4
377K38.8Very low41.6Very low201 Ų201131.9 Ų131.987%0.87474%0.736SS**PPolyproline II helixtrans-57.8128.7165.7-125.1177.8-178.2-179.30107.4
378P38.1Very low43.8Very low109 Ų109126.4 Ų126.471%0.70871%0.706SS**PPolyproline II helixtrans-59.3145.9172.526.1-33.6000109.1V380P378-V380 PolarHBondContact O-N 3.24Å
379P38.6Very low46.6Very low121 Ų121123 Ų12379%0.78668%0.68SS**PPolyproline II helixtrans-58.7141176.526.1-34000109.5
380V43.7Very low49Very low133 Ų133116 Ų11681%0.80664%0.644SS**PPolyproline II helixtrans-60.2124.4171.3-1800000106.9P378P378-V380 PolarHBondContact O-N 3.24Å
381P38.6Very low51.4Low103 Ų103115.1 Ų115.167%0.66963%0.631SS**PPolyproline II helixtrans-60.6139.1175.726.3-33.6000108.5K383P381-K383 PolarHBondContact O-N 2.99Å
382P35.1Very low53.8Low114 Ų114105.2 Ų105.274%0.7460%0.602SS**PPolyproline II helixtrans-57.4141.9178.625.2-33.9000109.5V384P382-V384 PolarHBondContact O-N 3.26Å
383K38.6Very low56.5Low189 Ų189106.5 Ų106.582%0.82259%0.591SS**PPolyproline II helixtrans-56.1125.8162.5-73.9-175.5177.1-177.10106.7P381 E385P381-K383 PolarHBondContact O-N 2.99Å; K383-E385 PolarHBondContact O-N 3.17Å; K383-E385 VanDerWaalsContact O-N 3.14Å
384V39.8Very low58.7Low120 Ų120103.6 Ų103.673%0.72756%0.562SS**  trans-75.7100.2163177.80000105.2P382 E386P382-V384 PolarHBondContact O-N 3.26Å; V384-E386 HydrophobicContact CG1-CG 4.4Å; V384-E386 PolarHBondContact O-N 2.77Å
385E52.1Low61Low149 Ų149104.2 Ų104.270%0.69656%0.56SS**  trans-61.2117162.4-74.7164.4-159.900106.4K383 E387K383-E385 PolarHBondContact O-N 3.17Å; K383-E385 VanDerWaalsContact O-N 3.14Å; E385-E387 PolarHBondContact O-N 2.84Å
386E64.8Low63Low98 Ų9897.8 Ų97.846%0.45853%0.528SS..  trans-87.292.3-177.1-61.5-156.9132.500107.9V384 Y388 K439V384-E386 HydrophobicContact CG1-CG 4.4Å; V384-E386 PolarHBondContact O-N 2.77Å; E386-Y388 HydrophobicContact CB-CE2 3.79Å; E386-Y388 WeakPolarHBondContact O-CD2 3.44Å; E386-Y388 WeakPolarHBondContact O-CE2 3.23Å; E386-Y388 PolarHBondContact OE2-OH 3.5Å; E386-Y388 VanDerWaalsContact OE2-OH 3.07Å; E386-K439 WeakPolarHBondContact OE1-CE 3.47Å; E386-K439 IonicContact OE1-NZ 3.25Å; E386-K439 PolarHBondContact OE1-NZ 3.46Å; E386-K439 WeakPolarHBondContact OE2-CE 3.01Å; E386-K439 IonicContact OE2-NZ 2.79Å; E386-K439 PolarHBondContact OE2-NZ 3.1Å
387E78.3Confident64.5Low53 Ų5399.4 Ų99.425%0.24854%0.536CS..  trans-79.5120.7-175.7-55.2-177.8103.500110.4E385 Y389 K409 Y440E385-E387 PolarHBondContact O-N 2.84Å; E387-Y389 HydrophobicContact CB-CE2 4.04Å; E387-K409 WeakPolarHBondContact OE1-CE 3.48Å; E387-K409 IonicContact OE1-NZ 3.13Å; E387-K409 PolarHBondContact OE1-NZ 2.85Å; E387-Y440 PolarHBondContact O-N 3.27Å
388Y87.6Confident66.3Low12 Ų1293.5 Ų93.55%0.04751%0.513CS..EExtended strand (participates in β ladder)trans-103.9150.9176.7-63-96.3000109.9E386 K409 V410 V412 K415 W421 I437 D438 K439E386-Y388 HydrophobicContact CB-CE2 3.79Å; E386-Y388 WeakPolarHBondContact O-CD2 3.44Å; E386-Y388 WeakPolarHBondContact O-CE2 3.23Å; E386-Y388 PolarHBondContact OE2-OH 3.5Å; E386-Y388 VanDerWaalsContact OE2-OH 3.07Å; Y388-K409 WeakPolarHBondContact O-CA 3.35Å; Y388-V410 PolarHBondContact O-N 2.7Å; Y388-V412 HydrophobicContact CD1-CG2 3.89Å; Y388-V412 HydrophobicContact CD2-CB 4.14Å; Y388-V412 HydrophobicContact CD2-CG2 3.62Å; Y388-V412 HydrophobicContact CE1-CG2 4.42Å; Y388-V412 HydrophobicContact CE2-CB 4.35Å; Y388-V412 HydrophobicContact CE2-CG2 4.22Å; Y388-V412 HydrophobicContact CG-CB 4.44Å; Y388-V412 HydrophobicContact CG-CG2 3.47Å; Y388-V412 VanDerWaalsContact CG-CG2 3.47Å; Y388-K415 PolarHBondContact OH-NZ 3.21Å; Y388-W421 HydrophobicContact CD1-CZ3 4.04Å; Y388-W421 HydrophobicContact CE1-CH2 4.47Å; Y388-W421 HydrophobicContact CE1-CZ3 4.04Å; Y388-I437 HydrophobicContact CD1-CG2 4.22Å; Y388-I437 HydrophobicContact CG-CG2 4.44Å; Y388-D438 CarbonylContact C-O 3.59Å; Y388-D438 VanDerWaalsContact CA-O 3.31Å; Y388-D438 WeakPolarHBondContact CA-O 3.27Å; Y388-K439 HydrophobicContact CD1-CB 3.84Å; Y388-K439 HydrophobicContact CD1-CG 4.1Å; Y388-K439 HydrophobicContact CE1-CB 3.62Å; Y388-K439 HydrophobicContact CE1-CD 3.74Å; Y388-K439 HydrophobicContact CE1-CG 3.6Å; Y388-K439 WeakPolarHBondContact OH-CE 3.09Å; Y388-K439 PolarHBondContact OH-NZ 2.9Å
389Y90.6Very high67.7Low60 Ų6094.3 Ų94.324%0.23552%0.518CS..EExtended strand (participates in β ladder)trans-137.4144.9-179.6-72.7-96.3000110.7E387 I408 K409 I437 D438 Y440E387-Y389 HydrophobicContact CB-CE2 4.04Å; Y389-I408 CarbonylContact C-O 3.4Å; Y389-I408 VanDerWaalsContact CA-O 3.27Å; Y389-I408 WeakPolarHBondContact CA-O 3.35Å; Y389-K409 HydrophobicContact CD1-CB 4.03Å; Y389-K409 HydrophobicContact CE1-CB 3.62Å; Y389-K409 HydrophobicContact CE1-CG 4.23Å; Y389-K409 HydrophobicContact CE2-CG 4.49Å; Y389-I437 WeakPolarHBondContact O-CA 3.44Å; Y389-D438 PolarHBondContact N-O 3.38Å; Y389-D438 PolarHBondContact O-N 2.89Å; Y389-Y440 HydrophobicContact CD2-CG 4.47Å
390T88.5Confident69.7Low3 Ų393.9 Ų93.92%0.01851%0.509CS..EExtended strand (participates in β ladder)trans-71.8138.4171.257.40000109.9F404 Q405 A406 G407 I408 V410 F436T390-F404 HydrophobicContact CG2-CB 4.33Å; T390-F404 HydrophobicContact CG2-CD1 4.46Å; T390-F404 HydrophobicContact CG2-CD2 3.22Å; T390-F404 HydrophobicContact CG2-CE2 3.46Å; T390-F404 VanDerWaalsContact CG2-CE2 3.46Å; T390-F404 HydrophobicContact CG2-CG 3.76Å; T390-F404 HydrophobicContact CG2-CZ 4.2Å; T390-Q405 WeakPolarHBondContact CB-O 3.41Å; T390-Q405 PolarHBondContact OG1-O 2.85Å; T390-A406 WeakPolarHBondContact OG1-CA 3.47Å; T390-G407 WeakPolarHBondContact O-CA 3.46Å; T390-G407 PolarHBondContact O-N 2.97Å; T390-G407 PolarHBondContact OG1-N 2.89Å; T390-G407 VanDerWaalsContact OG1-N 3.13Å; T390-I408 PolarHBondContact N-O 2.8Å; T390-I408 PolarHBondContact OG1-N 2.83Å; T390-I408 PolarHBondContact OG1-O 3.22Å; T390-V410 HydrophobicContact CG2-CG1 3.63Å; T390-F436 CarbonylContact C-O 3.58Å; T390-F436 VanDerWaalsContact CA-O 3.28Å; T390-F436 WeakPolarHBondContact CA-O 3.32Å
391I88.3Confident71.6Confident102 Ų10288.3 Ų88.352%0.52348%0.479SS..  trans-110.3-11.1-178.660.4168.3000114.2F436 D438I391-F436 PolarHBondContact N-O 2.9Å; I391-D438 HydrophobicContact CG2-CB 3.52Å
392A85.4Confident74Confident38 Ų3884 Ų8431%0.31445%0.45SS..SBendtrans-148.7161.1173.900000110.1F436A392-F436 HydrophobicContact CB-CD1 3.66Å; A392-F436 HydrophobicContact CB-CE1 3.85Å
393D87.1Confident76.5Confident103 Ų10381.5 Ų81.555%0.55144%0.436SS*.  trans-69.2136.4173.1-69.21.2000110.2Q405 A406 F436D393-Q405 WeakPolarHBondContact OD1-CA 3.47Å; D393-Q405 WeakPolarHBondContact OD1-CB 3.49Å; D393-A406 PolarHBondContact OD1-N 2.94Å; D393-F436 WeakPolarHBondContact O-CE1 3.2Å
394F86.1Confident78.9Confident25 Ų2573.2 Ų73.211%0.1140%0.4CS..BIsolated β-bridgetrans-134.9130.4177.3178.6-110.6000110.7I402 S403 F404 W420 P433 F436F394-I402 VanDerWaalsContact CD1-O 3.31Å; F394-I402 WeakPolarHBondContact CD1-O 3.46Å; F394-I402 WeakPolarHBondContact CE1-O 3.2Å; F394-S403 CarbonylContact O-C 3.54Å; F394-S403 VanDerWaalsContact O-CA 3.31Å; F394-S403 WeakPolarHBondContact O-CA 3.48Å; F394-S403 WeakPolarHBondContact O-CB 3.43Å; F394-F404 HydrophobicContact CB-CD1 4.42Å; F394-F404 HydrophobicContact CB-CD2 3.99Å; F394-F404 HydrophobicContact CB-CE1 3.92Å; F394-F404 HydrophobicContact CB-CE2 3.47Å; F394-F404 VanDerWaalsContact CB-CE2 3.47Å; F394-F404 HydrophobicContact CB-CG 4.46Å; F394-F404 HydrophobicContact CB-CZ 3.44Å; F394-F404 VanDerWaalsContact CB-CZ 3.44Å; F394-F404 HydrophobicContact CD1-CD1 4.27Å; F394-F404 AromaticContact CD1-CE1 3.57Å; F394-F404 HydrophobicContact CD1-CE1 3.57Å; F394-F404 AromaticContact CD1-CZ 3.81Å; F394-F404 HydrophobicContact CD1-CZ 3.81Å; F394-F404 HydrophobicContact CG-CE1 4.15Å; F394-F404 HydrophobicContact CG-CE2 4.43Å; F394-F404 AromaticContact CG-CZ 3.92Å; F394-F404 HydrophobicContact CG-CZ 3.92Å; F394-F404 PolarHBondContact N-O 2.85Å; F394-F404 PolarHBondContact O-N 2.91Å; F394-F404 VanDerWaalsContact O-O 3.09Å; F394-W420 HydrophobicContact CE1-CZ3 4.42Å; F394-W420 AromaticContact CZ-CH2 3.98Å; F394-W420 HydrophobicContact CZ-CH2 3.98Å; F394-W420 AromaticContact CZ-CZ3 3.94Å; F394-W420 HydrophobicContact CZ-CZ3 3.94Å; F394-P433 HydrophobicContact CD2-CG 4.05Å; F394-P433 VanDerWaalsContact CE1-CD 3.45Å; F394-P433 HydrophobicContact CE1-CG 4.25Å; F394-P433 HydrophobicContact CE2-CG 3.55Å; F394-P433 HydrophobicContact CZ-CG 3.67Å; F394-F436 HydrophobicContact CB-CD1 3.89Å; F394-F436 HydrophobicContact CB-CE1 4.25Å; F394-F436 HydrophobicContact CB-CG 4.42Å; F394-F436 HydrophobicContact CD2-CE1 4.39Å; F394-F436 HydrophobicContact CD2-CZ 4.43Å
395Q83.6Confident81.2Confident177 Ų17773.7 Ų73.783%0.82739%0.394SS*.  trans-122133.5171-67.2-175.31.600109.1
396T81.4Confident82.8Confident30 Ų3068.9 Ų68.918%0.18438%0.379CS..  trans-112.5149.6-179.8-169.10000111.6I398 G401 S403T396-I398 PolarHBondContact OG1-N 3.16Å; T396-G401 VanDerWaalsContact CG2-O 3.31Å; T396-G401 WeakPolarHBondContact CG2-O 3.38Å; T396-S403 WeakPolarHBondContact CG2-OG 3.27Å; T396-S403 PolarHBondContact N-OG 3.47Å
397T68.7Low83.6Confident148 Ų14866.9 Ų66.991%0.90839%0.385SS*.  trans-107.51.6170.452.60000112.2
398I78.1Confident84Confident77 Ų7766.9 Ų66.940%0.39539%0.386SS..SBendtrans-81132.7176.6-54.5173.1000108.3T396 D400 G401 W420T396-I398 PolarHBondContact OG1-N 3.16Å; I398-D400 VanDerWaalsContact C-N 3.3Å; I398-D400 PolarHBondContact O-N 2.89Å; I398-G401 PolarHBondContact O-N 3.42Å; I398-W420 HydrophobicContact CD1-CH2 3.9Å; I398-W420 HydrophobicContact CD1-CZ3 4.16Å
399P66.3Low84.1Confident126 Ų12671.2 Ų71.282%0.81841%0.405SS*.THydrogen-bonded Turntrans-60.3-36.7-178.623-33.7000113.4G401P399-G401 VanDerWaalsContact C-N 3.31Å
400D80.3Confident84Confident111 Ų11168.5 Ų68.559%0.59440%0.395SS*.THydrogen-bonded Turntrans-90.89.2177.4-63.47.8000112.7I398 G430 W431I398-D400 VanDerWaalsContact C-N 3.3Å; I398-D400 PolarHBondContact O-N 2.89Å; D400-G430 CarbonylContact O-C 3.59Å; D400-G430 VanDerWaalsContact O-CA 3.28Å; D400-G430 WeakPolarHBondContact O-CA 3.35Å; D400-W431 PolarHBondContact O-N 2.87Å
401G84.7Confident83.9Confident17 Ų1775 Ų7518%0.17543%0.425CS..BIsolated β-bridgetrans-89.2149.1178.400000112.2T396 I398 P399 W431T396-G401 VanDerWaalsContact CG2-O 3.31Å; T396-G401 WeakPolarHBondContact CG2-O 3.38Å; I398-G401 PolarHBondContact O-N 3.42Å; P399-G401 VanDerWaalsContact C-N 3.31Å; G401-W431 WeakPolarHBondContact CA-O 3.49Å
402I88.7Confident83.9Confident11 Ų1171 Ų716%0.05641%0.406CS..  trans-107.2134.6174.3-168.1158.3000111.8F394 F404 I423 I425 K428 G430 W431 A432F394-I402 VanDerWaalsContact CD1-O 3.31Å; F394-I402 WeakPolarHBondContact CD1-O 3.46Å; F394-I402 WeakPolarHBondContact CE1-O 3.2Å; I402-F404 HydrophobicContact CG2-CD1 4.38Å; I402-F404 HydrophobicContact CG2-CE1 4.46Å; I402-I423 HydrophobicContact CG2-CD1 4.09Å; I402-I423 HydrophobicContact CG2-CG1 3.61Å; I402-I425 HydrophobicContact CD1-CB 3.93Å; I402-I425 HydrophobicContact CD1-CD1 4.03Å; I402-I425 HydrophobicContact CD1-CG1 3.77Å; I402-I425 HydrophobicContact CG1-CD1 4.14Å; I402-I425 HydrophobicContact CG1-CG1 4.44Å; I402-K428 HydrophobicContact CD1-CB 3.77Å; I402-K428 VanDerWaalsContact CD1-O 3.22Å; I402-K428 WeakPolarHBondContact CD1-O 3.27Å; I402-G430 WeakPolarHBondContact CG2-O 3.48Å; I402-W431 PolarHBondContact N-O 3.41Å; I402-A432 HydrophobicContact CG2-CB 3.97Å
403S88.8Confident83.8Confident63 Ų6373.3 Ų73.344%0.44142%0.416SS..  trans-106143177.6-590000110.8F394 T396F394-S403 CarbonylContact O-C 3.54Å; F394-S403 VanDerWaalsContact O-CA 3.31Å; F394-S403 WeakPolarHBondContact O-CA 3.48Å; F394-S403 WeakPolarHBondContact O-CB 3.43Å; T396-S403 WeakPolarHBondContact CG2-OG 3.27Å; T396-S403 PolarHBondContact N-OG 3.47Å
404F88.9Confident83.7Confident15 Ų1573.5 Ų73.57%0.06641%0.413CS..BIsolated β-bridgetrans-157.2165.4-172.750.1-96.8000112.8T390 F394 I402 I408 I423 I425 A432 F436T390-F404 HydrophobicContact CG2-CB 4.33Å; T390-F404 HydrophobicContact CG2-CD1 4.46Å; T390-F404 HydrophobicContact CG2-CD2 3.22Å; T390-F404 HydrophobicContact CG2-CE2 3.46Å; T390-F404 VanDerWaalsContact CG2-CE2 3.46Å; T390-F404 HydrophobicContact CG2-CG 3.76Å; T390-F404 HydrophobicContact CG2-CZ 4.2Å; F394-F404 HydrophobicContact CB-CD1 4.42Å; F394-F404 HydrophobicContact CB-CD2 3.99Å; F394-F404 HydrophobicContact CB-CE1 3.92Å; F394-F404 HydrophobicContact CB-CE2 3.47Å; F394-F404 VanDerWaalsContact CB-CE2 3.47Å; F394-F404 HydrophobicContact CB-CG 4.46Å; F394-F404 HydrophobicContact CB-CZ 3.44Å; F394-F404 VanDerWaalsContact CB-CZ 3.44Å; F394-F404 HydrophobicContact CD1-CD1 4.27Å; F394-F404 AromaticContact CD1-CE1 3.57Å; F394-F404 HydrophobicContact CD1-CE1 3.57Å; F394-F404 AromaticContact CD1-CZ 3.81Å; F394-F404 HydrophobicContact CD1-CZ 3.81Å; F394-F404 HydrophobicContact CG-CE1 4.15Å; F394-F404 HydrophobicContact CG-CE2 4.43Å; F394-F404 AromaticContact CG-CZ 3.92Å; F394-F404 HydrophobicContact CG-CZ 3.92Å; F394-F404 PolarHBondContact N-O 2.85Å; F394-F404 PolarHBondContact O-N 2.91Å; F394-F404 VanDerWaalsContact O-O 3.09Å; I402-F404 HydrophobicContact CG2-CD1 4.38Å; I402-F404 HydrophobicContact CG2-CE1 4.46Å; F404-I408 HydrophobicContact CB-CD1 4.36Å; F404-I423 HydrophobicContact CD1-CD1 4.24Å; F404-I423 HydrophobicContact CE1-CD1 3.93Å; F404-I425 HydrophobicContact CB-CD1 3.58Å; F404-I425 HydrophobicContact CD1-CD1 3.63Å; F404-I425 HydrophobicContact CG-CD1 3.84Å; F404-A432 HydrophobicContact CE1-CB 3.57Å; F404-A432 HydrophobicContact CZ-CB 4.08Å; F404-F436 HydrophobicContact CE2-CB 3.99Å; F404-F436 HydrophobicContact CZ-CB 3.96Å
405Q87.1Confident83.6Confident129 Ų12976.5 Ų76.560%0.60343%0.426SS*.  trans-101.9164.4170.7-66.9177.5-4200110.8T390 D393 I408T390-Q405 WeakPolarHBondContact CB-O 3.41Å; T390-Q405 PolarHBondContact OG1-O 2.85Å; D393-Q405 WeakPolarHBondContact OD1-CA 3.47Å; D393-Q405 WeakPolarHBondContact OD1-CB 3.49Å; Q405-I408 HydrophobicContact CB-CD1 4.11Å; Q405-I408 WeakPolarHBondContact O-CG1 3.47Å
406A85.8Confident83.2Confident48 Ų4870.1 Ų70.140%0.39740%0.398SS..THydrogen-bonded Turntrans-64.3148.4175.300000112.8T390 D393T390-A406 WeakPolarHBondContact OG1-CA 3.47Å; D393-A406 PolarHBondContact OD1-N 2.94Å
407G81.3Confident82.6Confident56 Ų5676 Ų7658%0.57743%0.434SS*.THydrogen-bonded Turntrans83.21.4175.600000115.8T390T390-G407 WeakPolarHBondContact O-CA 3.46Å; T390-G407 PolarHBondContact O-N 2.97Å; T390-G407 PolarHBondContact OG1-N 2.89Å; T390-G407 VanDerWaalsContact OG1-N 3.13Å
408I87.3Confident83Confident54 Ų5473.2 Ų73.228%0.27742%0.42SS..  trans-78.7136.8178.1-59.5178.8000109.4Y389 T390 F404 Q405 V410 I425Y389-I408 CarbonylContact C-O 3.4Å; Y389-I408 VanDerWaalsContact CA-O 3.27Å; Y389-I408 WeakPolarHBondContact CA-O 3.35Å; T390-I408 PolarHBondContact N-O 2.8Å; T390-I408 PolarHBondContact OG1-N 2.83Å; T390-I408 PolarHBondContact OG1-O 3.22Å; F404-I408 HydrophobicContact CB-CD1 4.36Å; Q405-I408 HydrophobicContact CB-CD1 4.11Å; Q405-I408 WeakPolarHBondContact O-CG1 3.47Å; I408-V410 HydrophobicContact CG2-CG1 4.42Å; I408-I425 HydrophobicContact CG2-CG2 3.61Å
409K89Confident83Confident102 Ų10271 Ų7144%0.44342%0.417SS..EExtended strand (participates in β ladder)trans-75.5133.4171.8-178.3178.6169177.30109.3E387 Y388 Y389E387-K409 WeakPolarHBondContact OE1-CE 3.48Å; E387-K409 IonicContact OE1-NZ 3.13Å; E387-K409 PolarHBondContact OE1-NZ 2.85Å; Y388-K409 WeakPolarHBondContact O-CA 3.35Å; Y389-K409 HydrophobicContact CD1-CB 4.03Å; Y389-K409 HydrophobicContact CE1-CB 3.62Å; Y389-K409 HydrophobicContact CE1-CG 4.23Å; Y389-K409 HydrophobicContact CE2-CG 4.49Å
410V89.3Confident84Confident4 Ų469.2 Ų69.22%0.02439%0.394CS..EExtended strand (participates in β ladder)trans-130.2148.5-178.7-49.90000111.1Y388 T390 I408 V412 I423 I425 I437Y388-V410 PolarHBondContact O-N 2.7Å; T390-V410 HydrophobicContact CG2-CG1 3.63Å; I408-V410 HydrophobicContact CG2-CG1 4.42Å; V410-V412 HydrophobicContact CG2-CG2 4.35Å; V410-I423 HydrophobicContact CB-CD1 4.26Å; V410-I423 HydrophobicContact CG1-CD1 4.24Å; V410-I423 HydrophobicContact CG2-CD1 4.28Å; V410-I425 HydrophobicContact CB-CG1 4.17Å; V410-I425 HydrophobicContact CG1-CD1 3.75Å; V410-I425 HydrophobicContact CG1-CG1 3.64Å; V410-I437 HydrophobicContact CG2-CG2 3.84Å
411E86.1Confident84.5Confident138 Ų13866.2 Ų66.265%0.64537%0.374SS*.EExtended strand (participates in β ladder)trans-101.5124.7171.6-175.3155.5-173.100109.3V413 I423 Q424E411-V413 PolarHBondContact O-N 3.31Å; E411-I423 CarbonylContact O-C 2.94Å; E411-I423 WeakPolarHBondContact O-CA 3.49Å; E411-Q424 PolarHBondContact N-O 2.9Å; E411-Q424 PolarHBondContact O-N 2.69Å
412V87.4Confident84.7Confident19 Ų1968 Ų6812%0.11538%0.376CS..EExtended strand (participates in β ladder)trans-96.797.1-175.1-176.10000109.9Y388 V410 K415 W421 I423 I437Y388-V412 HydrophobicContact CD1-CG2 3.89Å; Y388-V412 HydrophobicContact CD2-CB 4.14Å; Y388-V412 HydrophobicContact CD2-CG2 3.62Å; Y388-V412 HydrophobicContact CE1-CG2 4.42Å; Y388-V412 HydrophobicContact CE2-CB 4.35Å; Y388-V412 HydrophobicContact CE2-CG2 4.22Å; Y388-V412 HydrophobicContact CG-CB 4.44Å; Y388-V412 HydrophobicContact CG-CG2 3.47Å; Y388-V412 VanDerWaalsContact CG-CG2 3.47Å; V410-V412 HydrophobicContact CG2-CG2 4.35Å; V412-K415 HydrophobicContact CG1-CD 4.16Å; V412-K415 HydrophobicContact CG1-CG 3.51Å; V412-W421 HydrophobicContact CG1-CB 3.92Å; V412-W421 HydrophobicContact CG1-CD2 4.03Å; V412-W421 HydrophobicContact CG1-CE3 3.8Å; V412-W421 HydrophobicContact CG1-CG 4.12Å; V412-W421 HydrophobicContact CG2-CE3 3.98Å; V412-W421 HydrophobicContact CG2-CZ3 4.45Å; V412-I423 HydrophobicContact CB-CG2 4.31Å; V412-I423 HydrophobicContact CG1-CG2 4.19Å; V412-I423 HydrophobicContact CG2-CG2 3.88Å; V412-I437 HydrophobicContact CG2-CG2 4.13Å
413V84.9Confident84.9Confident86 Ų8667.4 Ų67.452%0.52137%0.373SS..EExtended strand (participates in β ladder)trans-71.8-48.7-175.4-178.30000111.3E411 Y422 Q424E411-V413 PolarHBondContact O-N 3.31Å; V413-Y422 HydrophobicContact CB-CD1 4.12Å; V413-Y422 HydrophobicContact CG1-CD1 4.26Å; V413-Y422 PolarHBondContact N-O 2.87Å; V413-Q424 HydrophobicContact CG2-CB 4.12Å
414E83.9Confident84.9Confident107 Ų10768 Ų6850%0.537%0.369SS..EExtended strand (participates in β ladder)trans-129.7140177.3-159.2-177.2132.100112.3W421 Y422E414-W421 WeakPolarHBondContact O-CA 3.2Å; E414-Y422 PolarHBondContact N-O 2.92Å; E414-Y422 VanDerWaalsContact N-O 3.12Å; E414-Y422 PolarHBondContact O-N 2.9Å
415K84.6Confident85Confident89 Ų8968 Ų6839%0.38737%0.37SS..EExtended strand (participates in β ladder)trans-122.899.9175-65.2-170.217665.10110.6Y388 V412 W421Y388-K415 PolarHBondContact OH-NZ 3.21Å; V412-K415 HydrophobicContact CG1-CD 4.16Å; V412-K415 HydrophobicContact CG1-CG 3.51Å; K415-W421 HydrophobicContact CB-CG 4.43Å; K415-W421 HydrophobicContact CD-CD2 4.18Å; K415-W421 HydrophobicContact CD-CE3 4.49Å; K415-W421 HydrophobicContact CD-CH2 4.29Å; K415-W421 HydrophobicContact CD-CZ2 3.93Å; K415-W421 HydrophobicContact CG-CD2 3.88Å; K415-W421 HydrophobicContact CG-CE3 4.48Å; K415-W421 HydrophobicContact CG-CG 4Å; K415-W421 HydrophobicContact CG-CZ2 4.42Å
416N75.4Confident84.9Confident42 Ų4268.4 Ų68.423%0.22538%0.376CS..  trans-80.9168166.369.435.7000111.7S418 G419 W420 W431N416-S418 PolarHBondContact ND2-OG 2.78Å; N416-S418 PolarHBondContact OD1-N 3.47Å; N416-S418 VanDerWaalsContact OD1-N 3.14Å; N416-S418 PolarHBondContact OD1-OG 2.9Å; N416-G419 PolarHBondContact OD1-N 3.25Å; N416-W420 PolarHBondContact ND2-O 2.95Å; N416-W420 PolarHBondContact OD1-N 3.43Å; N416-W420 VanDerWaalsContact OD1-N 3.08Å; N416-W420 PolarHBondContact OD1-O 2.9Å; N416-W431 WeakPolarHBondContact ND2-CZ3 3.31Å
417T69.3Low84.5Confident155 Ų15575.4 Ų75.495%0.95140%0.401SS*.SBendtrans-90.1-4.8174.449.90000113.5G419T417-G419 PolarHBondContact O-N 3.32Å
418S75.4Confident84.5Confident88 Ų8880.2 Ų80.262%0.61541%0.405SS*.SBendtrans-84.110.2176.938.30000113.5N416N416-S418 PolarHBondContact ND2-OG 2.78Å; N416-S418 PolarHBondContact OD1-N 3.47Å; N416-S418 VanDerWaalsContact OD1-N 3.14Å; N416-S418 PolarHBondContact OD1-OG 2.9Å
419G79.6Confident84.7Confident32 Ų3283.1 Ų83.133%0.3342%0.418SS..SBendtrans81.214.7171.400000115N416 T417 P433 A434N416-G419 PolarHBondContact OD1-N 3.25Å; T417-G419 PolarHBondContact O-N 3.32Å; G419-P433 CarbonylContact O-C 3.52Å; G419-P433 WeakPolarHBondContact O-CA 3.33Å; G419-A434 WeakPolarHBondContact O-CB 3.47Å; G419-A434 PolarHBondContact O-N 3.23Å
420W86Confident84.6Confident88 Ų8878.3 Ų78.333%0.33340%0.397SS..EExtended strand (participates in β ladder)trans-123.6115.9176.1-73.482.3000109.7F394 I398 N416 W431 A432 P433F394-W420 HydrophobicContact CE1-CZ3 4.42Å; F394-W420 AromaticContact CZ-CH2 3.98Å; F394-W420 HydrophobicContact CZ-CH2 3.98Å; F394-W420 AromaticContact CZ-CZ3 3.94Å; F394-W420 HydrophobicContact CZ-CZ3 3.94Å; I398-W420 HydrophobicContact CD1-CH2 3.9Å; I398-W420 HydrophobicContact CD1-CZ3 4.16Å; N416-W420 PolarHBondContact ND2-O 2.95Å; N416-W420 PolarHBondContact OD1-N 3.43Å; N416-W420 VanDerWaalsContact OD1-N 3.08Å; N416-W420 PolarHBondContact OD1-O 2.9Å; W420-W431 HydrophobicContact CB-CE3 4.12Å; W420-W431 HydrophobicContact CE3-CB 4.11Å; W420-W431 WeakPolarHBondContact O-CZ3 3.45Å; W420-A432 CarbonylContact C-O 3.5Å; W420-A432 WeakPolarHBondContact CA-O 3.48Å; W420-P433 HydrophobicContact CD2-CG 4.45Å; W420-P433 HydrophobicContact CE3-CG 4.1Å; W420-P433 HydrophobicContact CH2-CG 3.83Å; W420-P433 HydrophobicContact CZ2-CG 4.16Å; W420-P433 HydrophobicContact CZ3-CG 3.79Å
421W91.2Very high84.7Confident48 Ų4881.5 Ų81.518%0.18241%0.409CS..EExtended strand (participates in β ladder)trans-95.7140.1176.7-66.5-6.3000110.1Y388 V412 E414 K415 I423 A432 A434 I437Y388-W421 HydrophobicContact CD1-CZ3 4.04Å; Y388-W421 HydrophobicContact CE1-CH2 4.47Å; Y388-W421 HydrophobicContact CE1-CZ3 4.04Å; V412-W421 HydrophobicContact CG1-CB 3.92Å; V412-W421 HydrophobicContact CG1-CD2 4.03Å; V412-W421 HydrophobicContact CG1-CE3 3.8Å; V412-W421 HydrophobicContact CG1-CG 4.12Å; V412-W421 HydrophobicContact CG2-CE3 3.98Å; V412-W421 HydrophobicContact CG2-CZ3 4.45Å; E414-W421 WeakPolarHBondContact O-CA 3.2Å; K415-W421 HydrophobicContact CB-CG 4.43Å; K415-W421 HydrophobicContact CD-CD2 4.18Å; K415-W421 HydrophobicContact CD-CE3 4.49Å; K415-W421 HydrophobicContact CD-CH2 4.29Å; K415-W421 HydrophobicContact CD-CZ2 3.93Å; K415-W421 HydrophobicContact CG-CD2 3.88Å; K415-W421 HydrophobicContact CG-CE3 4.48Å; K415-W421 HydrophobicContact CG-CG 4Å; K415-W421 HydrophobicContact CG-CZ2 4.42Å; W421-I423 HydrophobicContact CB-CG2 3.95Å; W421-I423 PolarHBondContact O-N 2.82Å; W421-A432 PolarHBondContact N-O 3.22Å; W421-A432 PolarHBondContact O-N 2.89Å; W421-A434 HydrophobicContact CD2-CB 3.82Å; W421-A434 HydrophobicContact CE3-CB 4.48Å; W421-A434 HydrophobicContact CG-CB 3.98Å; W421-A434 HydrophobicContact CZ2-CB 4.04Å; W421-I437 HydrophobicContact CB-CD1 4.1Å; W421-I437 HydrophobicContact CE3-CB 4.1Å; W421-I437 HydrophobicContact CE3-CD1 4.01Å; W421-I437 HydrophobicContact CE3-CG2 3.97Å; W421-I437 HydrophobicContact CZ3-CB 4.16Å; W421-I437 HydrophobicContact CZ3-CG2 3.95Å
422Y89.3Confident84.9Confident53 Ų5375 Ų7521%0.20838%0.378CS..EExtended strand (participates in β ladder)trans-81.6114.3167.8-160.4-109.9000106.8V413 E414 E429 G430 W431V413-Y422 HydrophobicContact CB-CD1 4.12Å; V413-Y422 HydrophobicContact CG1-CD1 4.26Å; V413-Y422 PolarHBondContact N-O 2.87Å; E414-Y422 PolarHBondContact N-O 2.92Å; E414-Y422 VanDerWaalsContact N-O 3.12Å; E414-Y422 PolarHBondContact O-N 2.9Å; Y422-E429 HydrophobicContact CE1-CB 3.79Å; Y422-E429 HydrophobicContact CE1-CG 4.1Å; Y422-E429 VanDerWaalsContact OH-CG 3.31Å; Y422-E429 WeakPolarHBondContact OH-CG 3.28Å; Y422-E429 PolarHBondContact OH-OE1 2.96Å; Y422-G430 VanDerWaalsContact CD2-C 3.5Å; Y422-G430 VanDerWaalsContact CE2-CA 3.43Å; Y422-W431 AromaticContact CD2-CD1 3.93Å; Y422-W431 AromaticContact CD2-CD2 3.72Å; Y422-W431 HydrophobicContact CD2-CD2 3.72Å; Y422-W431 AromaticContact CD2-CE2 3.58Å; Y422-W431 HydrophobicContact CD2-CE3 4.24Å; Y422-W431 AromaticContact CD2-CG 3.96Å; Y422-W431 HydrophobicContact CD2-CG 3.96Å; Y422-W431 HydrophobicContact CD2-CH2 4.5Å; Y422-W431 HydrophobicContact CD2-CZ2 4Å; Y422-W431 AromaticContact CD2-NE1 3.71Å; Y422-W431 AromaticContact CE2-NE1 3.92Å; Y422-W431 HydrophobicContact CG-CZ2 4.48Å
423I91.6Very high84.9Confident0 Ų074.7 Ų74.70%038%0.377CS..EExtended strand (participates in β ladder)trans-122.6145-175.969.3175.6000110.8I402 F404 V410 E411 V412 W421 I425 E429 G430 A432 I437I402-I423 HydrophobicContact CG2-CD1 4.09Å; I402-I423 HydrophobicContact CG2-CG1 3.61Å; F404-I423 HydrophobicContact CD1-CD1 4.24Å; F404-I423 HydrophobicContact CE1-CD1 3.93Å; V410-I423 HydrophobicContact CB-CD1 4.26Å; V410-I423 HydrophobicContact CG1-CD1 4.24Å; V410-I423 HydrophobicContact CG2-CD1 4.28Å; E411-I423 CarbonylContact O-C 2.94Å; E411-I423 WeakPolarHBondContact O-CA 3.49Å; V412-I423 HydrophobicContact CB-CG2 4.31Å; V412-I423 HydrophobicContact CG1-CG2 4.19Å; V412-I423 HydrophobicContact CG2-CG2 3.88Å; W421-I423 HydrophobicContact CB-CG2 3.95Å; W421-I423 PolarHBondContact O-N 2.82Å; I423-I425 HydrophobicContact CD1-CD1 3.83Å; I423-I425 HydrophobicContact CD1-CG1 4.12Å; I423-I425 HydrophobicContact CG1-CD1 4.37Å; I423-I425 HydrophobicContact CG1-CG1 4.24Å; I423-E429 WeakPolarHBondContact O-CA 3.5Å; I423-G430 PolarHBondContact N-O 3.13Å; I423-G430 PolarHBondContact O-N 2.62Å; I423-G430 VanDerWaalsContact O-N 3.08Å; I423-A432 HydrophobicContact CD1-CB 3.44Å; I423-A432 VanDerWaalsContact CD1-CB 3.44Å; I423-A432 HydrophobicContact CG1-CB 3.72Å; I423-I437 HydrophobicContact CD1-CD1 3.99Å; I423-I437 HydrophobicContact CD1-CG1 4.28Å; I423-I437 HydrophobicContact CG2-CD1 3.7Å
424Q90.7Very high85Confident74 Ų7471.7 Ų71.735%0.34636%0.361SS..EExtended strand (participates in β ladder)trans-102.1133.7169.5-172179.3-14.100109.5E411 V413 D426 K428 E429E411-Q424 PolarHBondContact N-O 2.9Å; E411-Q424 PolarHBondContact O-N 2.69Å; V413-Q424 HydrophobicContact CG2-CB 4.12Å; Q424-D426 PolarHBondContact NE2-O 3.27Å; Q424-K428 CarbonylContact C-O 3.48Å; Q424-K428 WeakPolarHBondContact CA-O 3.44Å; Q424-E429 HydrophobicContact CB-CB 4.45Å
425I89.8Confident85.2Confident16 Ų1671.8 Ų71.88%0.08237%0.369CS..EExtended strand (participates in β ladder)trans-130.4109.2175.8-47.1-173.9000106.6I402 F404 I408 V410 I423 E427 K428I402-I425 HydrophobicContact CD1-CB 3.93Å; I402-I425 HydrophobicContact CD1-CD1 4.03Å; I402-I425 HydrophobicContact CD1-CG1 3.77Å; I402-I425 HydrophobicContact CG1-CD1 4.14Å; I402-I425 HydrophobicContact CG1-CG1 4.44Å; F404-I425 HydrophobicContact CB-CD1 3.58Å; F404-I425 HydrophobicContact CD1-CD1 3.63Å; F404-I425 HydrophobicContact CG-CD1 3.84Å; I408-I425 HydrophobicContact CG2-CG2 3.61Å; V410-I425 HydrophobicContact CB-CG1 4.17Å; V410-I425 HydrophobicContact CG1-CD1 3.75Å; V410-I425 HydrophobicContact CG1-CG1 3.64Å; I423-I425 HydrophobicContact CD1-CD1 3.83Å; I423-I425 HydrophobicContact CD1-CG1 4.12Å; I423-I425 HydrophobicContact CG1-CD1 4.37Å; I423-I425 HydrophobicContact CG1-CG1 4.24Å; I425-E427 PolarHBondContact O-N 2.65Å; I425-K428 PolarHBondContact N-O 3.07Å; I425-K428 PolarHBondContact O-N 2.71Å
426D84.6Confident85.2Confident138 Ų13870.4 Ų70.474%0.73836%0.363SS*.THydrogen-bonded Turntrans50.6-115.3-169.5-53.9-45.9000111.9Q424Q424-D426 PolarHBondContact NE2-O 3.27Å
427E77.4Confident85.9Confident195 Ų19568.8 Ų68.891%0.91135%0.354SS*.THydrogen-bonded Turntrans-95.29-179.8-60.3-174.9156.500113.7I425I425-E427 PolarHBondContact O-N 2.65Å
428K82.1Confident86.7Confident156 Ų15665.7 Ų65.768%0.67833%0.332SS*.EExtended strand (participates in β ladder)trans-118.2136.5-178.4-65.5179.9-178.2177.10110.9I402 Q424 I425I402-K428 HydrophobicContact CD1-CB 3.77Å; I402-K428 VanDerWaalsContact CD1-O 3.22Å; I402-K428 WeakPolarHBondContact CD1-O 3.27Å; Q424-K428 CarbonylContact C-O 3.48Å; Q424-K428 WeakPolarHBondContact CA-O 3.44Å; I425-K428 PolarHBondContact N-O 3.07Å; I425-K428 PolarHBondContact O-N 2.71Å
429E90.4Very high87.2Confident116 Ų11665 Ų6554%0.54232%0.318SS..EExtended strand (participates in β ladder)trans-121.4151.8174.253176.1-164.700110.7Y422 I423 Q424Y422-E429 HydrophobicContact CE1-CB 3.79Å; Y422-E429 HydrophobicContact CE1-CG 4.1Å; Y422-E429 VanDerWaalsContact OH-CG 3.31Å; Y422-E429 WeakPolarHBondContact OH-CG 3.28Å; Y422-E429 PolarHBondContact OH-OE1 2.96Å; I423-E429 WeakPolarHBondContact O-CA 3.5Å; Q424-E429 HydrophobicContact CB-CB 4.45Å
430G87.9Confident86.6Confident1 Ų169.9 Ų69.91%0.0133%0.328CS..EExtended strand (participates in β ladder)trans172174.8179.500000113.8D400 I402 Y422 I423D400-G430 CarbonylContact O-C 3.59Å; D400-G430 VanDerWaalsContact O-CA 3.28Å; D400-G430 WeakPolarHBondContact O-CA 3.35Å; I402-G430 WeakPolarHBondContact CG2-O 3.48Å; Y422-G430 VanDerWaalsContact CD2-C 3.5Å; Y422-G430 VanDerWaalsContact CE2-CA 3.43Å; I423-G430 PolarHBondContact N-O 3.13Å; I423-G430 PolarHBondContact O-N 2.62Å; I423-G430 VanDerWaalsContact O-N 3.08Å
431W90.5Very high85Confident71 Ų7173.7 Ų73.727%0.26935%0.347SS..EExtended strand (participates in β ladder)trans-80.1133.3179.2-65.699.5000112.4D400 G401 I402 N416 W420 Y422D400-W431 PolarHBondContact O-N 2.87Å; G401-W431 WeakPolarHBondContact CA-O 3.49Å; I402-W431 PolarHBondContact N-O 3.41Å; N416-W431 WeakPolarHBondContact ND2-CZ3 3.31Å; W420-W431 HydrophobicContact CB-CE3 4.12Å; W420-W431 HydrophobicContact CE3-CB 4.11Å; W420-W431 WeakPolarHBondContact O-CZ3 3.45Å; Y422-W431 AromaticContact CD2-CD1 3.93Å; Y422-W431 AromaticContact CD2-CD2 3.72Å; Y422-W431 HydrophobicContact CD2-CD2 3.72Å; Y422-W431 AromaticContact CD2-CE2 3.58Å; Y422-W431 HydrophobicContact CD2-CE3 4.24Å; Y422-W431 AromaticContact CD2-CG 3.96Å; Y422-W431 HydrophobicContact CD2-CG 3.96Å; Y422-W431 HydrophobicContact CD2-CH2 4.5Å; Y422-W431 HydrophobicContact CD2-CZ2 4Å; Y422-W431 AromaticContact CD2-NE1 3.71Å; Y422-W431 AromaticContact CE2-NE1 3.92Å; Y422-W431 HydrophobicContact CG-CZ2 4.48Å
432A90.3Very high82.9Confident0 Ų077.9 Ų77.90%037%0.366CS..EExtended strand (participates in β ladder)trans-137.9142.9-179.700000110.8I402 F404 W420 W421 I423 A434 I437I402-A432 HydrophobicContact CG2-CB 3.97Å; F404-A432 HydrophobicContact CE1-CB 3.57Å; F404-A432 HydrophobicContact CZ-CB 4.08Å; W420-A432 CarbonylContact C-O 3.5Å; W420-A432 WeakPolarHBondContact CA-O 3.48Å; W421-A432 PolarHBondContact N-O 3.22Å; W421-A432 PolarHBondContact O-N 2.89Å; I423-A432 HydrophobicContact CD1-CB 3.44Å; I423-A432 VanDerWaalsContact CD1-CB 3.44Å; I423-A432 HydrophobicContact CG1-CB 3.72Å; A432-A434 PolarHBondContact O-N 3.08Å; A432-I437 HydrophobicContact CB-CD1 3.96Å
433P87.6Confident80.3Confident14 Ų1481.5 Ų81.59%0.09139%0.394CS..EExtended strand (participates in β ladder)trans-67.3131.2177.6-15.828.2000111.3F394 G419 W420 T435 F436F394-P433 HydrophobicContact CD2-CG 4.05Å; F394-P433 VanDerWaalsContact CE1-CD 3.45Å; F394-P433 HydrophobicContact CE1-CG 4.25Å; F394-P433 HydrophobicContact CE2-CG 3.55Å; F394-P433 HydrophobicContact CZ-CG 3.67Å; G419-P433 CarbonylContact O-C 3.52Å; G419-P433 WeakPolarHBondContact O-CA 3.33Å; W420-P433 HydrophobicContact CD2-CG 4.45Å; W420-P433 HydrophobicContact CE3-CG 4.1Å; W420-P433 HydrophobicContact CH2-CG 3.83Å; W420-P433 HydrophobicContact CZ2-CG 4.16Å; W420-P433 HydrophobicContact CZ3-CG 3.79Å; P433-T435 PolarHBondContact O-N 3.27Å; P433-T435 VanDerWaalsContact O-N 3.11Å; P433-F436 HydrophobicContact CB-CD2 3.92Å; P433-F436 HydrophobicContact CB-CE2 4.42Å; P433-F436 HydrophobicContact CG-CD2 4.22Å; P433-F436 PolarHBondContact O-N 3.29Å
434A86.9Confident77.5Confident22 Ų2286.4 Ų86.418%0.18243%0.428CS..G310 helixtrans-58.3-25.8-179.900000113.1G419 W421 A432 F436 I437G419-A434 WeakPolarHBondContact O-CB 3.47Å; G419-A434 PolarHBondContact O-N 3.23Å; W421-A434 HydrophobicContact CD2-CB 3.82Å; W421-A434 HydrophobicContact CE3-CB 4.48Å; W421-A434 HydrophobicContact CG-CB 3.98Å; W421-A434 HydrophobicContact CZ2-CB 4.04Å; A432-A434 PolarHBondContact O-N 3.08Å; A434-F436 PolarHBondContact O-N 2.93Å; A434-I437 PolarHBondContact O-N 3.13Å
435T87.8Confident75Confident110 Ų11090.9 Ų90.968%0.67545%0.454SS*.G310 helixtrans-66.8-16.9176.146.10000113.9P433P433-T435 PolarHBondContact O-N 3.27Å; P433-T435 VanDerWaalsContact O-N 3.11Å
436F85.1Confident72.2Confident59 Ų5993.6 Ų93.626%0.25948%0.479SS..G310 helixtrans-98.23.1178.9-72.4-111.7000112.8T390 I391 A392 D393 F394 F404 P433 A434T390-F436 CarbonylContact C-O 3.58Å; T390-F436 VanDerWaalsContact CA-O 3.28Å; T390-F436 WeakPolarHBondContact CA-O 3.32Å; I391-F436 PolarHBondContact N-O 2.9Å; A392-F436 HydrophobicContact CB-CD1 3.66Å; A392-F436 HydrophobicContact CB-CE1 3.85Å; D393-F436 WeakPolarHBondContact O-CE1 3.2Å; F394-F436 HydrophobicContact CB-CD1 3.89Å; F394-F436 HydrophobicContact CB-CE1 4.25Å; F394-F436 HydrophobicContact CB-CG 4.42Å; F394-F436 HydrophobicContact CD2-CE1 4.39Å; F394-F436 HydrophobicContact CD2-CZ 4.43Å; F404-F436 HydrophobicContact CE2-CB 3.99Å; F404-F436 HydrophobicContact CZ-CB 3.96Å; P433-F436 HydrophobicContact CB-CD2 3.92Å; P433-F436 HydrophobicContact CB-CE2 4.42Å; P433-F436 HydrophobicContact CG-CD2 4.22Å; P433-F436 PolarHBondContact O-N 3.29Å; A434-F436 PolarHBondContact O-N 2.93Å
437I89.7Confident70.2Confident8 Ų895.5 Ų95.54%0.04149%0.488CS..EExtended strand (participates in β ladder)trans-128.4109-171-53.6152.4000110.2Y388 Y389 V410 V412 W421 I423 A432 A434Y388-I437 HydrophobicContact CD1-CG2 4.22Å; Y388-I437 HydrophobicContact CG-CG2 4.44Å; Y389-I437 WeakPolarHBondContact O-CA 3.44Å; V410-I437 HydrophobicContact CG2-CG2 3.84Å; V412-I437 HydrophobicContact CG2-CG2 4.13Å; W421-I437 HydrophobicContact CB-CD1 4.1Å; W421-I437 HydrophobicContact CE3-CB 4.1Å; W421-I437 HydrophobicContact CE3-CD1 4.01Å; W421-I437 HydrophobicContact CE3-CG2 3.97Å; W421-I437 HydrophobicContact CZ3-CB 4.16Å; W421-I437 HydrophobicContact CZ3-CG2 3.95Å; I423-I437 HydrophobicContact CD1-CD1 3.99Å; I423-I437 HydrophobicContact CD1-CG1 4.28Å; I423-I437 HydrophobicContact CG2-CD1 3.7Å; A432-I437 HydrophobicContact CB-CD1 3.96Å; A434-I437 PolarHBondContact O-N 3.13Å
438D86.5Confident68Low90 Ų9097 Ų9748%0.48149%0.486SS..EExtended strand (participates in β ladder)trans-101.4157176.2-170.427.9000112.6Y388 Y389 I391Y388-D438 CarbonylContact C-O 3.59Å; Y388-D438 VanDerWaalsContact CA-O 3.31Å; Y388-D438 WeakPolarHBondContact CA-O 3.27Å; Y389-D438 PolarHBondContact N-O 3.38Å; Y389-D438 PolarHBondContact O-N 2.89Å; I391-D438 HydrophobicContact CG2-CB 3.52Å
439K86Confident66Low74 Ų7494.8 Ų94.832%0.32249%0.487SS..EExtended strand (participates in β ladder)trans-102.183.3-175.2-173.8175.3179.3160.60110.9E386 Y388 K441E386-K439 WeakPolarHBondContact OE1-CE 3.47Å; E386-K439 IonicContact OE1-NZ 3.25Å; E386-K439 PolarHBondContact OE1-NZ 3.46Å; E386-K439 WeakPolarHBondContact OE2-CE 3.01Å; E386-K439 IonicContact OE2-NZ 2.79Å; E386-K439 PolarHBondContact OE2-NZ 3.1Å; Y388-K439 HydrophobicContact CD1-CB 3.84Å; Y388-K439 HydrophobicContact CD1-CG 4.1Å; Y388-K439 HydrophobicContact CE1-CB 3.62Å; Y388-K439 HydrophobicContact CE1-CD 3.74Å; Y388-K439 HydrophobicContact CE1-CG 3.6Å; Y388-K439 WeakPolarHBondContact OH-CE 3.09Å; Y388-K439 PolarHBondContact OH-NZ 2.9Å; K439-K441 PolarHBondContact O-N 2.85Å
440Y67.8Low63.5Low135 Ų13596.8 Ų96.853%0.52950%0.501SS..  trans-71.499.2-174.8-166.4-97.1000112.5E387 Y389 K442E387-Y440 PolarHBondContact O-N 3.27Å; Y389-Y440 HydrophobicContact CD2-CG 4.47Å; Y440-K442 VanDerWaalsContact C-N 3.3Å; Y440-K442 HydrophobicContact CD1-CB 3.89Å; Y440-K442 HydrophobicContact CE1-CB 3.83Å; Y440-K442 HydrophobicContact CE1-CD 4.46Å; Y440-K442 HydrophobicContact CE1-CG 4.05Å; Y440-K442 PolarHBondContact O-N 3.48Å
441K52Low60.8Low168 Ų168106.5 Ų106.573%0.7354%0.544SS*.  trans-74.780.9172.2-74.9-170.1175.8-1780111.5K439 T443K439-K441 PolarHBondContact O-N 2.85Å; K441-T443 PolarHBondContact O-N 2.75Å
442K46.2Very low58.3Low135 Ų135111.1 Ų111.159%0.58757%0.573SS**  trans-62.8100.2168.4-158.9164-170.2170.10109.4Y440 S444Y440-K442 VanDerWaalsContact C-N 3.3Å; Y440-K442 HydrophobicContact CD1-CB 3.89Å; Y440-K442 HydrophobicContact CE1-CB 3.83Å; Y440-K442 HydrophobicContact CE1-CD 4.46Å; Y440-K442 HydrophobicContact CE1-CG 4.05Å; Y440-K442 PolarHBondContact O-N 3.48Å; K442-S444 PolarHBondContact O-N 3.04Å; K442-S444 VanDerWaalsContact O-N 3.1Å
443T35.1Very low55.8Low129 Ų129115.2 Ų115.279%0.79161%0.607SS**  trans-58.7117.9167.349.60000107.5K441K441-T443 PolarHBondContact O-N 2.75Å
444S33.3Very low53.3Low103 Ų103120.3 Ų120.372%0.7264%0.64SS**  trans-55.2147-17852.20000110.9K442 A446K442-S444 PolarHBondContact O-N 3.04Å; K442-S444 VanDerWaalsContact O-N 3.1Å; S444-A446 PolarHBondContact O-N 3.37Å
445N37.7Very low50.7Low169 Ų169126.8 Ų126.890%0.90467%0.671SS**  trans-68.871.7-175.8-102.8-34.6000111.9L447N445-L447 PolarHBondContact O-N 3.46Å
446A31.9Very low48.3Very low73 Ų73127.3 Ų127.360%0.60368%0.676SS**  trans-89.990174.800000108.9S444 R448S444-A446 PolarHBondContact O-N 3.37Å; A446-R448 PolarHBondContact O-N 3.32Å
447L42.5Very low46.2Very low177 Ų177131 Ų13193%0.92770%0.698SS**  trans-49105.2172.4-72.7165.5000110.5N445N445-L447 PolarHBondContact O-N 3.46Å
448R31.9Very low43.9Very low228 Ų228139.3 Ų139.386%0.8674%0.737SS**  trans-106.1120.9167.3-78.2-169.1171.7-170.2-1108.8A446A446-R448 PolarHBondContact O-N 3.32Å
449P38.5Very low41.4Very low108 Ų108143.8 Ų143.870%0.70176%0.757SS**  trans-68.5159.1173.130.6-34.7000110.5
450N37.8Very low38.9Very low158 Ų158148.3 Ų148.385%0.84578%0.779SS**  trans73.255.7171.5-46.4-31.5000116
451F32.3Very low37.3Very low206 Ų206150.9 Ų150.990%0.90479%0.793SS**SBend-110.9147.5129.1-141-100.5000108.3
452L38.6Very low36.3Very low167 Ų167150.8 Ų150.887%0.87480%0.8SS**PPolyproline II helixtrans-73.5133-174.8-68.5168.7000110.2
453A36.2Very low35.4Very low87 Ų87155.5 Ų155.572%0.71981%0.814SS**PPolyproline II helixtrans-77.5139.517700000110.9
454P34.6Very low35.2Very low120 Ų120157.8 Ų157.878%0.77982%0.821SS**PPolyproline II helixtrans-56.2142.9155-19.332.6000109.7
455L34Very low34.9Very low159 Ų159161.9 Ų161.983%0.83283%0.828SS**PPolyproline II helixtrans-70.1138.6177.7-73.6167.7000110.3N457L455-N457 PolarHBondContact O-N 2.85Å
456P37.6Very low34.4Very low121 Ų121162 Ų16279%0.78683%0.829SS**SBendtrans-7688.8176.531.3-33.3000109.5
457N41Very low34.1Very low135 Ų135161.5 Ų161.572%0.72283%0.831SS**  trans-157.750.6179.6-131.414.9000114.3L455L455-N457 PolarHBondContact O-N 2.85Å
458E40.3Very low33.3Very low184 Ų184157 Ų15786%0.8683%0.826SS**SBendtrans-149-8.1172.2-131.6159.9-139.100116.2
459M33.3Very low33.1Very low184 Ų184150.3 Ų150.391%0.90682%0.82SS**SBendtrans-86.4-13.1171.169.9-176.6-175.600114K461M459-K461 PolarHBondContact O-N 3.38Å
460E35.1Very low32.6Very low168 Ų168152.6 Ų152.679%0.78583%0.826SS**SBendtrans-95.956.6176.3-65.4-169152.500111.7
461K33.8Very low32.1Very low189 Ų189150.8 Ų150.882%0.82282%0.817SS**  trans-144.928.9174.9-135.9176.2-175179.80117.6M459M459-K461 PolarHBondContact O-N 3.38Å
462L31.1Very low32Very low166 Ų166148.9 Ų148.987%0.86982%0.816SS**SBendtrans-136.3129.6158.1-71.7176.8000109.8
463R27.4Very low31.4Very low235 Ų235145.9 Ų145.989%0.88781%0.805SS**SBendtrans7671.7175.1-53.9-70.5173.272.2-0.1117.7
464L29.6Very low30.9Very low177 Ų177153 Ų15393%0.92781%0.814SS**  -149.8139.9112.2-146.468.1000110.5
465E27.3Very low30.6Very low189 Ų189151.6 Ų151.688%0.88381%0.806SS**  trans-105.5143.1164.8-84.6-166.193.400109.1
466D27Very low30.2Very low172 Ų172153.5 Ų153.592%0.9281%0.808SS**  trans165.8138.9138.5-165.348.2000107.9
467G26.4Very low30.1Very low62 Ų62153.7 Ų153.764%0.63981%0.809SS**  cis179.1151.6-9.100000111.9
468G26.5Very low29.4Very low81 Ų81154.8 Ų154.884%0.83581%0.814SS**  trans81.5151.4169.900000117.5
469A27.8Very low29.6Very low88 Ų88150.6 Ų150.673%0.72780%0.803SS**  cis-160.7170.4-7.100000111.7
470N27.3Very low29.2Very low156 Ų156149.3 Ų149.383%0.83480%0.8SS**  trans70.2138.5173.5-6922.8000117.7
471D28Very low28.7Very low121 Ų121149.9 Ų149.965%0.64780%0.802SS**  cis-158139.2-18.7-172.4-158000110T473D471-T473 PolarHBondContact OD2-OG1 2.95Å
472D29.1Very low29.2Very low165 Ų165145.3 Ų145.388%0.88279%0.792SS**  trans175.2139.4144.9-109.6-44.3000108.7
473T26Very low28.9Very low105 Ų105143.3 Ų143.364%0.64479%0.787SS**  trans-135.1161.4-149.7-70.10000114.7D471D471-T473 PolarHBondContact OD2-OG1 2.95Å
474W26.1Very low28.8Very low237 Ų237136.7 Ų136.790%0.89878%0.782SS**  trans95.5130.1160.6-142.6-88.5000117.1
475S28.5Very low28.5Very low90 Ų90132.4 Ų132.463%0.62977%0.772SS**  cis-161.5169.5-15.7-96.80000113
476K25.8Very low28.6Very low199 Ų199128.6 Ų128.687%0.86577%0.767SS**  trans-71.1177.5172-69.9177.7176.9173.20112.8
477P34.8Very low28.5Very low125 Ų125126.3 Ų126.381%0.81276%0.755SS**  cis-142.8-16917.241.1-18.3000118.5
478L26.9Very low28.6Very low158 Ų158127.2 Ų127.283%0.82775%0.751SS**  trans-69.3-177.9161.2-114.374.6000111.9
479P43.9Very low28.7Very low96 Ų96132.7 Ų132.762%0.62375%0.752SS**  cis-141.1-157.614.528.10.5000116
480D25.5Very low28.8Very low156 Ų156132.2 Ų132.283%0.83475%0.748SS**  trans106.7142.6142.5-63-27.5000124.1
481E25.1Very low28.8Very low180 Ų180134.8 Ų134.884%0.84175%0.746SS**  trans-109.7-179.9164.4-128.6-172.774.800106.9
482P43.4Very low29Very low94 Ų94134.4 Ų134.461%0.6175%0.75SS**  cis-138.6-164.4-7.129-3.3000114.7
483T24Very low29Very low123 Ų123135.4 Ų135.476%0.75575%0.747SS**  trans96129.3145.1-33.70000120.6
484A25.2Very low28.9Very low96 Ų96135.8 Ų135.879%0.79374%0.744SS**  trans62.4164.3153.400000120.7
485A24.9Very low29Very low87 Ų87133.8 Ų133.872%0.71974%0.737SS**  cis-171.3145.4-38.400000109.4
486S28.6Very low28.9Very low110 Ų110135 Ų13577%0.76974%0.736SS**  trans61.6158.3162.9-85.50000118.2
487D25.8Very low28.9Very low124 Ų124135.5 Ų135.566%0.66373%0.733SS**  cis-144.3158.4-6.4-143.5-81.7000113.2
488S28.4Very low28.3Very low80 Ų80136.4 Ų136.456%0.55972%0.724SS**  trans65.4162.1158.7-74.60000116.9
489F27Very low28.3Very low196 Ų196133.7 Ų133.786%0.8672%0.718SS**  cis-151.8162.4-9.1-121.10000108.4
490A30Very low27.5Very low78 Ų78137 Ų13765%0.64573%0.731SS**  cis-147.4-124.5-1.900000110.3
491R28.9Very low27.8Very low211 Ų211133.8 Ų133.880%0.79673%0.725SS**  trans-158.3169.7178.6-101.6176.5-174.7178.94.4107.6
492P31.5Very low28.1Very low112 Ų112132.3 Ų132.373%0.72772%0.723SS**  cis-123-175.425.313.813.4000113.3
493K28.2Very low27.4Very low186 Ų186137.1 Ų137.181%0.80974%0.735SS**  cis-155.7144.9-2.7-114.4156.1-174.3179.70105
494L24.1Very low27.6Very low114 Ų114137.9 Ų137.960%0.59774%0.739SS**  cis71.2120.540.6-150.387000112
495R28.1Very low27.8Very low195 Ų195139.4 Ų139.474%0.73674%0.739SS**  cis-161.5168.9-0.4-125.4-163.5-150.5-82.45.9112.6
496D27.5Very low28.9Very low114 Ų114140.7 Ų140.761%0.6174%0.74SS**  trans-20.2166.5149.2-28.3-39.2000121.4
497W25.1Very low29Very low211 Ų211140 Ų14080%0.79974%0.741SS**  trans98.394.6130.5-170.7-94.1000122.5
498K23.3Very low29.1Very low143 Ų143143.7 Ų143.762%0.62275%0.752SS**  82.8142.2112.4-166.6-179.5-178.5-177.40122.8
499S26.7Very low29.1Very low101 Ų101144 Ų14471%0.70676%0.759SS**  trans32.6131.7155.5-57.10000123.2
500N26.5Very low29.2Very low167 Ų167138.1 Ų138.189%0.89375%0.754SS**  trans-69.1151.2159.6-83.8-9.4000113.9
501A32.3Very low30.1Very low87 Ų87140.7 Ų140.772%0.71976%0.764SS**  trans-155.8101.2149.300000113.7
502N29.9Very low30.2Very low149 Ų149138.4 Ų138.480%0.79777%0.766SS**  trans67.1125.4131.7-55.8-10.1000123.8
503K29.9Very low31.1Very low196 Ų196138.7 Ų138.785%0.85277%0.768SS**  trans87.8127.3138.4-77.2-176.6173.8-1750122.8
504T28.1Very low32.2Very low138 Ų138135.2 Ų135.285%0.84776%0.764SS**  trans120.5135.3138.7-35.30000116.4
505T29.8Very low32.5Very low128 Ų128134.3 Ų134.379%0.78577%0.773SS**  trans-99.5-174.4-179.737.70000110.9
506P47.1Very low33.6Very low114 Ų114131.1 Ų131.174%0.7478%0.778SS**  cis-142.3-169.81345-25.3000118
507A31.3Very low33.8Very low97 Ų97130.3 Ų130.380%0.80279%0.787SS**  trans73.7147.5155.800000119.3
508F27.9Very low34.1Very low201 Ų201124.8 Ų124.888%0.88279%0.786SS**  cis-167.9160.7-13174-99.9000111.3
509A27.4Very low35.6Very low87 Ų87123.5 Ų123.572%0.71979%0.793SS**  trans65.5151.2178.200000118
510G30.1Very low36.6Very low72 Ų72124.5 Ų124.574%0.74280%0.797SS**  cis125.4145.4-1.800000112.7
511P47.9Very low36.8Very low132 Ų132120.8 Ų120.886%0.85779%0.789SS**  cis-133.1-164.711.343.7-25.1000116.7
512L32.3Very low36.8Very low163 Ų163125.7 Ų125.785%0.85380%0.797SS**  trans-97.1-168.6-178.2-74.5167.3000111.9
513P50.7Low36.8Very low118 Ų118127.4 Ų127.477%0.76680%0.8SS**  cis-149.8-149.728.139-9.9000116.7
514P49.9Very low37Very low112 Ų112127.5 Ų127.573%0.72780%0.801SS**  -136.7164.5-75.142.1-25.9000118.9
515A29.7Very low37.3Very low95 Ų95126.7 Ų126.779%0.78580%0.798SS**  trans50.1155.9140.100000123.2
516P52.6Low37.2Very low129 Ų129125.5 Ų125.584%0.83880%0.801SS**  cis-116.4-144.710.930.2-6000112.2
517A31Very low36.6Very low96 Ų96128.2 Ų128.279%0.79381%0.808SS**  cis-157.9-178.37.200000112.7
518A32.3Very low37.3Very low95 Ų95129.1 Ų129.179%0.78581%0.806SS**  trans-162.7-172.7-178.600000111.4
519P53.2Low38Very low117 Ų117124.9 Ų124.976%0.7680%0.798SS**  cis-133.2-152.7-7.147.2-29.6000111.6
520P49.2Very low38.1Very low121 Ų121131.2 Ų131.279%0.78680%0.804SS**  cis-131.7-173.8-16.342-24.9000115.9
521A31Very low38.4Very low89 Ų89137.4 Ų137.474%0.73681%0.805SS**  trans103.7126.5147.100000122.7
522E31.2Very low37.7Very low190 Ų190137.4 Ų137.489%0.88879%0.793SS**  trans60.590.9148-64.7-177.4106.100123.8
523E30.2Very low37.6Very low185 Ų185134.7 Ų134.786%0.86479%0.788SS**  trans9.4131.5139.3-153.6169.1138.900123
524K33.6Very low36.7Very low199 Ų199137 Ų13787%0.86579%0.792SS**  trans-143.9140.5152.4-74.5-175.2178.7174.60110.3
525P35.9Very low35.7Very low121 Ų121138.9 Ų138.979%0.78680%0.796SS**  trans-92.5155.6-177.535.4-35.7000114.3
526A27.4Very low35.7Very low102 Ų102143.9 Ų143.984%0.84380%0.8SS**  trans-143.7144.5162.600000111.5
527L33.2Very low34.7Very low172 Ų172142.6 Ų142.690%0.90179%0.794SS**  trans-70.2179-174.1-51.1165.7000112.8
528P46.3Very low34.4Very low115 Ų115145.9 Ų145.975%0.74779%0.791SS**  cis-131.5-144.8-1.645.4-26.2000110.6
529P42.3Very low34.2Very low112 Ų112148.9 Ų148.973%0.72779%0.789SS**  cis-134.8155.1-17.938.8-20.4000117.8
530R29.6Very low33.2Very low220 Ų220149.4 Ų149.483%0.8378%0.784SS**  trans45.8105134.4-168.5178.1-174.11232.5121.3
531R36.6Very low32.1Very low202 Ų202152.1 Ų152.176%0.76279%0.787SS**  61.1145.7127-107.1-173.9169.8-139.48.5117.8
532E32.3Very low32.1Very low132 Ų132152 Ų15262%0.61779%0.785SS**  cis-150.516520-53.9-167160.600112.2
533S32Very low32.1Very low106 Ų106147.2 Ų147.274%0.74178%0.779SS**  trans47125.2150.159.40000123.4
534I31.2Very low31.9Very low166 Ų166147.7 Ų147.785%0.85178%0.781SS**  trans-166.9149134.7-102154.3000109.5
535N28.3Very low32Very low153 Ų153147.5 Ų147.582%0.81878%0.78SS**  trans-111158.4176.7-77.3-17.8000111.6
536K29.6Very low32.3Very low200 Ų200146.6 Ų146.687%0.8777%0.774SS**  trans107.8143.7176.5-69.2-177.7175.9-178.30113.7
537S31.4Very low32.4Very low102 Ų102151 Ų15171%0.71378%0.775SS**  cis-163.1-177.2-1.4-112.10000111.9
538F26.4Very low33Very low165 Ų165147.4 Ų147.472%0.72476%0.761SS**  trans83.1147.7172.4-102.6-133.5000116.2L540F538-L540 HydrophobicContact CE1-CD1 4.25Å; F538-L540 HydrophobicContact CE2-CD1 4.28Å; F538-L540 HydrophobicContact CZ-CD1 3.92Å
539E26.9Very low32Very low157 Ų157148.5 Ų148.573%0.73476%0.761SS**  cis-130.2-162.49.6-165.3143.7-167.300114
540L32.8Very low31.5Very low128 Ų128151.1 Ų151.167%0.6776%0.763SS**  trans-81.4178.4-156.5-99.373.8000115.8F538F538-L540 HydrophobicContact CE1-CD1 4.25Å; F538-L540 HydrophobicContact CE2-CD1 4.28Å; F538-L540 HydrophobicContact CZ-CD1 3.92Å
541E25.9Very low31.2Very low178 Ų178145.6 Ų145.683%0.83276%0.757SS**  cis-147.9-17031.2-141.3-169105.500116.9
542A31.3Very low31Very low86 Ų86145.1 Ų145.171%0.71176%0.76SS**  trans-75177.2-166.200000116.2
543A31.3Very low31.1Very low91 Ų91144.7 Ų144.775%0.75277%0.769SS**  cis-162160.6-22.500000106.7
544E26.2Very low31.1Very low195 Ų195147.6 Ų147.691%0.91178%0.775SS**  -161-154.364.4-116.3-166.4100.800113.1
545K34Very low32.7Very low195 Ų195145.1 Ų145.185%0.84877%0.77SS**  trans-147.8176.5-161.4-94.1-177.8-178.8169.60112.8
546P43.1Very low33.4Very low101 Ų101144.1 Ų144.166%0.65677%0.772SS**  cis-145.1163.8-33.538.9-21.2000117.3
547K28.8Very low33.3Very low196 Ų196144 Ų14485%0.85277%0.771SS**  trans67.4169.4142-84-170.7167.4-168.90120.2
548P46.6Very low34.8Very low96 Ų96144 Ų14462%0.62377%0.769SS**  -142.1-167.3-60.241.4-21.1000114.8
549D25.7Very low35.5Very low137 Ų137142.5 Ų142.573%0.73378%0.776SS**  trans69.8146.2162.6-70.3-56.4000118.3
550H31.1Very low36Very low167 Ų167139.5 Ų139.577%0.77378%0.778SS**  cis-149.3-159.3-5.6-140.864000107.4
551C24.4Very low36.7Very low104 Ų104139.8 Ų139.870%0.70379%0.787SS**  cis-154.2-107.28.3-1750000112.9
552K30.9Very low36.9Very low192 Ų192134.4 Ų134.484%0.83578%0.78SS**  trans-158.6179.3-169.6-74.5-176-177.1171.80107.7
553P35.2Very low37Very low124 Ų124136.6 Ų136.681%0.80578%0.784SS**  cis-142.6-151.118.744.8-22.1000116.3
554L31.5Very low37Very low166 Ų166139.6 Ų139.687%0.86979%0.786SS**  trans-109.7-143.1-172.7-63.1166.8000113.6
555P64.6Low37.3Very low115 Ų115137 Ų13775%0.74778%0.784SS**  -119.4-166.8-123.839.3-18.2000114.7
556P43.4Very low38.2Very low131 Ų131132.9 Ų132.985%0.85178%0.776SS**  -146.1-169.2118.838-21.4000115.7
557K28.4Very low37.6Very low197 Ų197135.8 Ų135.886%0.85779%0.786SS**  trans-136.5-157.5-171.1-150.8-169.3177176.40112.4
558P61.7Low37.8Very low104 Ų104132 Ų13268%0.67578%0.779SS**  -106.1-173.9-126.943.8-28.2000116
559P42Very low36.9Very low132 Ų132133.2 Ų133.286%0.85778%0.784SS**  -149.8171.612939.6-23.8000116.6
560A37.4Very low38.1Very low94 Ų94132.2 Ų132.278%0.77779%0.786SS**  trans-173.4-178168.200000109.5
561P46.3Very low37.9Very low134 Ų134133.4 Ų133.487%0.8779%0.788SS**  cis-131.2-163.3-14.843.5-26.8000113.4
562G31Very low38.2Very low66 Ų66134 Ų13468%0.6879%0.794SS**  trans154.6143.415000000122.1
563V32.6Very low38.3Very low132 Ų132128.5 Ų128.580%0.878%0.784SS**  trans87.3111.6135.2-176.80000123.4
564I31.8Very low38.6Very low154 Ų154126.9 Ų126.979%0.7977%0.773SS**  trans67.8133.8146.7-63.7169.2000122.2
565V33.9Very low38.5Very low141 Ų141125.2 Ų125.286%0.85576%0.759SS**  trans-150.9140.3175.8-168.80000113
566P52.3Low36.9Very low107 Ų107125.5 Ų125.570%0.69575%0.749SS**  trans-138.2-174.7179.544.2-29000118.8
567L29.2Very low37Very low163 Ų163124 Ų12485%0.85374%0.739SS**  trans92173.1158-103.963000122.6
568V33.2Very low36.7Very low117 Ų117123 Ų12371%0.70974%0.737SS**  -157.3127.4-121.3122.40000119.3
569T28Very low35Very low120 Ų120127 Ų12774%0.73674%0.744SS**  trans74.2177.6144.172.40000121.7
570P52Low35.4Very low117 Ų117126.3 Ų126.376%0.7674%0.74SS**  cis-137.3-140.35.746-24.9000118.3
571K26.7Very low35.7Very low192 Ų192127.8 Ų127.884%0.83574%0.741SS**  trans-144.9-176.4-159.2-55.1173-171.1169.40109.6
572S29.6Very low34.7Very low117 Ų117128.3 Ų128.382%0.81873%0.732SS**  cis-162.2-173.425.8-67.70000112.4
573A33Very low34.8Very low76 Ų76131.7 Ų131.763%0.62873%0.733SS**  trans-108.2172.5162.400000110.9
574P41.3Very low34.6Very low89 Ų89132.6 Ų132.658%0.57873%0.726SS**  -174-166.179.748.9-25.3000121.6P803P574-P803 VanDerWaalsContact C-CD 3.42Å
575F30.8Very low34.5Very low132 Ų132132.4 Ų132.458%0.57972%0.72SS**  trans61.7140.3158.1-73.2-82.1000126.7N800 R801 P802 P803F575-N800 VanDerWaalsContact CE1-O 3.22Å; F575-N800 WeakPolarHBondContact CE1-O 3.26Å; F575-R801 HydrophobicContact CD1-CB 4.13Å; F575-R801 HydrophobicContact CD1-CG 4.25Å; F575-R801 HydrophobicContact CD2-CG 4.37Å; F575-R801 HydrophobicContact CE1-CB 3.51Å; F575-R801 HydrophobicContact CE1-CG 3.9Å; F575-R801 HydrophobicContact CE2-CB 4.38Å; F575-R801 HydrophobicContact CE2-CG 3.94Å; F575-R801 HydrophobicContact CG-CG 4.47Å; F575-R801 HydrophobicContact CZ-CB 3.62Å; F575-R801 HydrophobicContact CZ-CG 3.69Å; F575-P802 WeakPolarHBondContact CA-O 3.31Å; F575-P802 PolarHBondContact N-O 3.23Å; F575-P803 WeakPolarHBondContact O-CD 3.4Å; F575-P803 WeakPolarHBondContact O-CG 3.43Å
576K29.5Very low34.1Very low121 Ų121132.5 Ų132.553%0.52671%0.711SS.*  trans-170.5143.3-172.1-153.7-66.3-159.5179.90116.2P802 P803K576-P802 HydrophobicContact CB-CB 4.15Å; K576-P802 HydrophobicContact CB-CG 3.98Å; K576-P802 WeakPolarHBondContact O-CD 3.47Å; K576-P803 HydrophobicContact CB-CB 3.56Å; K576-P803 HydrophobicContact CB-CG 3.7Å; K576-P803 HydrophobicContact CG-CB 3.7Å; K576-P803 HydrophobicContact CG-CG 4.05Å
577P45.6Very low33Very low99 Ų99132.1 Ų132.164%0.64370%0.703SS**  trans-123.7179.4170.842.5-32.3000117.8
578E23.7Very low33.3Very low175 Ų175132.4 Ų132.482%0.81870%0.698SS**  trans98.4150.1157.1-59.6-73.330.400125.3
579K25.4Very low33.2Very low190 Ų190130.8 Ų130.883%0.82669%0.691SS**  trans-130.2-170.7-160.4-111.3-175.6176.8-177.50112.9
580P50.9Low33.4Very low117 Ų117134.5 Ų134.576%0.7670%0.697SS**  cis-113.9-115.23.435.7-13.9000113.7
581P43.6Very low32.3Very low125 Ų125133.3 Ų133.381%0.81270%0.697SS**  cis-120.3-140.4344.9-27.2000115.6
582E25.7Very low32.3Very low145 Ų145130.8 Ų130.868%0.67869%0.692SS**  trans-157.4-172.6-163.5-150.2-144.8103.900116K584E582-K584 IonicContact OE1-NZ 2.64Å; E582-K584 PolarHBondContact OE1-NZ 2.92Å
583I32.4Very low32.8Very low137 Ų137131.6 Ų131.670%0.70369%0.694SS**  trans97104.7169.8-58.3175.8000116.1
584K27.1Very low32.5Very low151 Ų151134.4 Ų134.466%0.65770%0.698SS**  72.7148.183.6-63.8169.4178.6102.40114.2E582E582-K584 IonicContact OE1-NZ 2.64Å; E582-K584 PolarHBondContact OE1-NZ 2.92Å
585K30Very low32Very low150 Ų150140.8 Ų140.865%0.65271%0.711SS**  cis-166.3164.46.6-127.6177.8173.7-79.20111.6
586E25.6Very low32.3Very low142 Ų142140 Ų14066%0.66471%0.712SS**  trans32.5159139.1-101.1142.390.500123.4
587D30.2Very low32.6Very low100 Ų100141.1 Ų141.154%0.53572%0.72SS.*  cis-169.816818.8-151.5178.8000115
588K34.2Very low32Very low169 Ų169145.4 Ų145.474%0.73573%0.733SS**  trans39.6157.2150.9-78.6157.2-155.6145.10123.7
589S32.3Very low32.7Very low82 Ų82140.3 Ų140.357%0.57373%0.728SS**  cis-179.1169.7-1961.90000115.2
590K32.7Very low33.3Very low198 Ų198139.3 Ų139.386%0.86173%0.731SS**  trans75.1152.6150.6-76.1169.8-175.4-178.50118.8
591A28.9Very low32.6Very low92 Ų92142.2 Ų142.276%0.7673%0.734SS**  cis-157.8175.6-8.800000113
592L26.9Very low32.1Very low140 Ų140141.6 Ų141.673%0.73373%0.732SS**  trans-92.7-178.7-179.3-56.9169.2000112.9L594L592-L594 HydrophobicContact CD1-CD1 4.21Å
593P38.6Very low32.3Very low133 Ų133137.6 Ų137.686%0.86473%0.729SS**  -138.8-176.391.738.3-24.2000115.9
594L28Very low32.2Very low135 Ų135140 Ų14071%0.70774%0.737SS**  trans-131.3153.9-163.5-79.5152.7000114.2L592L592-L594 HydrophobicContact CD1-CD1 4.21Å
595R29.4Very low32.4Very low223 Ų223141.4 Ų141.484%0.84274%0.743SS**  -154.1128.7129.3-87.3-158.1174-156.9-1.7107.4
596N37.1Very low32.4Very low115 Ų115141 Ų14162%0.61575%0.753SS**  74.2136.165.8-83.651.8000113
597E37Very low32.6Very low146 Ų146139.6 Ų139.668%0.68276%0.759SS**  cis-151.3178.25.838.2-122.4118.700115.2
598M33.2Very low32.6Very low188 Ų188140.8 Ų140.893%0.92677%0.77SS**  trans-64.5170.3-170.6-74.776.1172.800116
599G37.3Very low32.7Very low68 Ų68140.5 Ų140.570%0.70177%0.768SS**  cis177.4-176.7400000109.2
600L38.5Very low32.7Very low170 Ų170143.6 Ų143.689%0.8977%0.774SS**  cis-130.6155.12.3-50.1101.5000107.9
601E36.6Very low32.9Very low178 Ų178141 Ų14183%0.83277%0.774SS**  62.5137.551-116.7-162.699.700114.8
602C32.8Very low32.8Very low112 Ų112146.2 Ų146.276%0.75778%0.779SS**  cis-134.5179.54.5-28.20000109.3
603G29.6Very low33.5Very low61 Ų61148 Ų14863%0.62978%0.782SS**  cis153.1102.24.200000108.7
604H30.7Very low33Very low186 Ų186150.8 Ų150.886%0.86178%0.78SS**  82.5170.397-91.894.3000116.2
605K31.6Very low33.1Very low181 Ų181150.4 Ų150.479%0.78778%0.779SS**  trans-142.4156.7-144.9-40.1180-174.4176.80114.2
606V28.3Very low33.1Very low142 Ų142146.5 Ų146.586%0.86177%0.774SS**  trans68.7124.2158.9-177.40000118.1
607S30.1Very low32.7Very low113 Ų113150 Ų15079%0.7978%0.784SS**  -178.9170118.5-161.10000112.4
608V31.2Very low32.8Very low125 Ų125149 Ų14976%0.75879%0.79SS**  trans-147.9117.5-172.1166.80000111.5
609K35.1Very low32.6Very low163 Ų163146.1 Ų146.171%0.70978%0.783SS**  trans167.8149132.2-105.1154.7158.6-79.60117.7
610E32.6Very low32.6Very low146 Ų146148.2 Ų148.268%0.68278%0.784SS**  trans61.990.9141.1-73.9153.3165.200124.1
611V36.7Very low32.1Very low143 Ų143149.4 Ų149.487%0.86778%0.782SS**  37.7114.2118.5-174.50000120.5
612K26.5Very low31.7Very low202 Ų202150.1 Ų150.188%0.87879%0.785SS**  -163.4152.4121-149.2153.5-178.2172.30113.6
613K42.2Very low32.9Very low179 Ų179150 Ų15078%0.77878%0.783SS**  trans-89.4156.3170.5-78.1-179.9172.3177.50111.4
614F28.2Very low34Very low190 Ų190152.1 Ų152.183%0.83379%0.786SS**  -172.3101.6117.3-114.4-85.8000114.5
615N29.9Very low33.9Very low127 Ų127152.1 Ų152.168%0.67978%0.783SS**  trans36.9135133.9-85.3-17000125.5
616L30.7Very low34.5Very low142 Ų142149.2 Ų149.274%0.74378%0.783SS**  trans98.5105.5140.8-68.8160.5000122.5
617K27.4Very low34.6Very low187 Ų187151.5 Ų151.581%0.81378%0.781SS**  51.9156.2119.4-72.4-173-179.3-177.20121
618P39.6Very low34.8Very low125 Ų125150.3 Ų150.381%0.81278%0.779SS**  cis-134.8-156.324.842.1-21.9000116.6
619V29.9Very low34.5Very low129 Ų129152.2 Ų152.278%0.78278%0.779SS**  trans-128154.6-162.7171.20000112.2
620P36.6Very low34.2Very low111 Ų111150.3 Ų150.372%0.72178%0.777SS**  trans-138132.1142.934.7-19.3000117.3
621K27.8Very low34.1Very low195 Ų195152.4 Ų152.485%0.84878%0.778SS**  trans29.6114.2139.7-49.7175.1-177.3-179.70119.5
622Q28.3Very low34.1Very low193 Ų193151.5 Ų151.590%0.90277%0.765SS**  93.413564.8-101.5-164.8-34.500117.8
623P58.6Low34.3Very low110 Ų110148.4 Ų148.471%0.71475%0.753SS**  trans-106.6-152179.446.2-39000112.5
624P52.8Low34Very low106 Ų106146.3 Ų146.369%0.68874%0.744SS**  cis-146.3-176.8-2.344.4-24.1000120.1
625K28.6Very low34.5Very low185 Ų185142.7 Ų142.780%0.80474%0.74SS**  trans74154.5154.6-85.5178.3179179.80118.7
626P43Very low34.6Very low120 Ų120143.3 Ų143.378%0.77974%0.738SS**  -114.7163.151.28.217000115
627K31.1Very low35.3Very low191 Ų191142 Ų14283%0.8374%0.739SS**  77.6147.756.5-84.7-162.8177.4-1690115
628A33.4Very low35.3Very low88 Ų88137.8 Ų137.873%0.72774%0.739SS**  cis-102.9-129.210.500000113.7
629E25.2Very low34.6Very low165 Ų165135 Ų13577%0.77173%0.733SS**  cis-151.7-135.1-1.6-151.7-153.683.900113.8
630N28.6Very low35.5Very low123 Ų123134.9 Ų134.966%0.65874%0.735SS**  trans-74140.5-162.8-92.5-62000116.1
631R31.9Very low35.1Very low189 Ų189134.3 Ų134.371%0.71374%0.739SS**  cis-150.9-106.5-0.8-161.7-175.7157.2-151.5-17.1115.5
632E36.7Very low35.2Very low125 Ų125129.4 Ų129.458%0.58474%0.735SS**  trans-148.2165.9-159.3-74.914855.600108
633E29.4Very low35.3Very low136 Ų136129.1 Ų129.164%0.63673%0.731SS**  cis-115173.49.3-80.9-74.569.700110.6
634K35.7Very low34Very low136 Ų136131.6 Ų131.659%0.59174%0.735SS**  cis79.3149.427.3-144.3173178.2-72.20112.9E636K634-E636 WeakPolarHBondContact CE-OE2 3.48Å; K634-E636 HydrophobicContact CG-CG 4.42Å; K634-E636 IonicContact NZ-OE2 2.64Å; K634-E636 PolarHBondContact NZ-OE2 2.85Å
635P39.1Very low33Very low113 Ų113136.1 Ų136.173%0.73474%0.744SS**  cis-98.1-168.7-7.9-1.325.8000113.2
636E31.5Very low33.2Very low140 Ų140131 Ų13165%0.65474%0.743SS**  cis-162.9175.7-41.6-106.2174.789.800109.6K634K634-E636 WeakPolarHBondContact CE-OE2 3.48Å; K634-E636 HydrophobicContact CG-CG 4.42Å; K634-E636 IonicContact NZ-OE2 2.64Å; K634-E636 PolarHBondContact NZ-OE2 2.85Å
637P45.5Very low33Very low116 Ų116135.1 Ų135.175%0.75375%0.749SS**  trans-138.7-159.7-130.346.1-27.2000117.5
638A27.5Very low34.1Very low98 Ų98131.6 Ų131.681%0.8175%0.746SS**  trans122.4146.5140.200000118.9
639G26.3Very low34.1Very low67 Ų67134.3 Ų134.369%0.69175%0.753SS**  trans-106.3-133.6158.200000109.4
640P48.4Very low34.7Very low126 Ų126133 Ų13382%0.81876%0.756SS**  cis-141.8-171.1-6.742.9-24.4000115.1
641A28.2Very low35Very low98 Ų98138.7 Ų138.781%0.8177%0.768SS**  trans77.5171.8145.500000122.8
642A29.6Very low35.9Very low92 Ų92135.6 Ų135.676%0.7677%0.772SS**  trans77.799.4161.200000122.4
643F29.7Very low35.8Very low188 Ų188139 Ų13983%0.82579%0.785SS**  -0.9127.9127.1-87.9-97.6000118.9
644M32Very low36.3Very low161 Ų161138.5 Ų138.579%0.79379%0.794SS**  177.5-178.9105.1-96-53.5169.900113.6
645K32.5Very low36.5Very low202 Ų202138.5 Ų138.588%0.87881%0.805SS**  trans-88.3151.1-173.9-53166.7-176.31700112.8
646G32.8Very low36.5Very low77 Ų77139.1 Ų139.179%0.79481%0.809SS**  trans176.8147.2162.900000115.3
647K38.2Very low36.6Very low206 Ų206137.5 Ų137.590%0.89682%0.82SS**  trans-136.9-178.4164.6-60.5-177177.4-179.50107.6
648P53.4Low36.1Very low117 Ų117136.4 Ų136.476%0.7682%0.82SS**  -111.3176.4-87.639.8-25.7000112.9
649V33.2Very low36.6Very low146 Ų146139 Ų13989%0.88581%0.813SS**  trans179.8148.8152.9138.20000109
650V37.4Very low37Very low137 Ų137141.6 Ų141.683%0.8382%0.818SS**  trans-150.2125.1-170-176.50000115.2
651R36Very low36.1Very low243 Ų243141 Ų14192%0.91781%0.808SS**  trans171.8168.3157.6-105.6178.5-178.4-162.90.5109.8
652P50.5Low37.4Very low123 Ų123141.8 Ų141.880%0.79981%0.805SS**  cis-126.4-160.1-25.438.5-20.2000112.6
653K33.9Very low37.7Very low198 Ų198143.7 Ų143.786%0.86181%0.809SS**  trans-99.1165-179.2-71.6-174.9175.8-177.20114.5
654P40.7Very low37.8Very low125 Ų125139 Ų13981%0.81281%0.806SS**  trans-124.2-163.1131.137.8-29.8000114.1
655V39.1Very low37.8Very low135 Ų135139.6 Ų139.682%0.81881%0.806SS**  trans-133.5168.3-153.7-139.80000113.6
656P39.5Very low37.9Very low126 Ų126137.2 Ų137.282%0.81880%0.803SS**  trans-119.6160.2141.736.6-28.5000113
657A34.6Very low38.1Very low107 Ų107142.2 Ų142.288%0.88480%0.803SS**  trans-113.1173.2-162.300000116.1
658A34Very low38.1Very low92 Ų92139 Ų13976%0.7680%0.801SS**  trans-99.6-176.3175.600000111
659K38.3Very low37.4Very low152 Ų152140.2 Ų140.266%0.66180%0.8SS**  cis-157.1174.23.3-148.3175.9-177-156.30108.6D661K659-D661 VanDerWaalsContact CD-OD2 3.29Å; K659-D661 WeakPolarHBondContact CD-OD2 3.37Å; K659-D661 WeakPolarHBondContact CE-OD1 3.21Å; K659-D661 WeakPolarHBondContact CE-OD2 3.4Å; K659-D661 IonicContact NZ-OD1 2.95Å; K659-D661 PolarHBondContact NZ-OD1 2.87Å; K659-D661 IonicContact NZ-OD2 2.64Å; K659-D661 PolarHBondContact NZ-OD2 3.11Å
660P34.8Very low37.8Very low123 Ų123140.7 Ų140.780%0.79980%0.797SS**  -147.5168.6106.338-22.5000116.2
661D30.1Very low37.9Very low112 Ų112140.3 Ų140.360%0.59980%0.795SS**  trans-134.3-178.1165.5-37.1-95.5000108.1K659K659-D661 VanDerWaalsContact CD-OD2 3.29Å; K659-D661 WeakPolarHBondContact CD-OD2 3.37Å; K659-D661 WeakPolarHBondContact CE-OD1 3.21Å; K659-D661 WeakPolarHBondContact CE-OD2 3.4Å; K659-D661 IonicContact NZ-OD1 2.95Å; K659-D661 PolarHBondContact NZ-OD1 2.87Å; K659-D661 IonicContact NZ-OD2 2.64Å; K659-D661 PolarHBondContact NZ-OD2 3.11Å
662P55.6Low38Very low116 Ų116135.1 Ų135.175%0.75379%0.785SS**  cis-121-165.7-24.338.7-20.9000110.8
663P34.4Very low37.3Very low132 Ų132136.3 Ų136.386%0.85778%0.784SS**  -139.9-170.183.339-22.6000113.5
664A33.5Very low37.4Very low90 Ų90139.4 Ų139.474%0.74479%0.79SS**  trans-130.1-174.6-170.200000113.8
665E31.8Very low37Very low172 Ų172136.6 Ų136.680%0.80477%0.774SS**  trans73.6120.9169.9-50.9-174.6175.100116.7
666N34.3Very low36.7Very low153 Ų153139.5 Ų139.582%0.81878%0.775SS**  -160.9169.275.3-106.2-85.3000115.2
667K37.1Very low36.3Very low182 Ų182139.9 Ų139.979%0.79177%0.769SS**  trans-89.7159.1169.7-62.5179.9174.7-173.70111.7
668V38Very low36.4Very low139 Ų139144.5 Ų144.584%0.84276%0.764SS**  trans-160.3141.6135.3-99.50000110.9
669D39.3Very low36.3Very low141 Ų141146.4 Ų146.475%0.75477%0.769SS**  trans-84.9150.8171.1-61.2-84.4000111.6
670I41.3Very low35.9Very low157 Ų157143.9 Ų143.981%0.80577%0.77SS**  trans-129.758.2174.3-41-178.6000111.4N672I670-N672 PolarHBondContact O-N 3.38Å
671T40.1Very low35.6Very low129 Ų129148.6 Ų148.679%0.79178%0.778SS**  trans-78.351.6170.9420000112.6
672N37.2Very low35.6Very low134 Ų134148 Ų14872%0.71779%0.788SS**  trans-164.1102.9170.9-103.8-48.9000113.3I670I670-N672 PolarHBondContact O-N 3.38Å
673L36.1Very low34.3Very low147 Ų147147.3 Ų147.377%0.7779%0.793SS**  -177.675.4121-120.571.5000112.7S675L673-S675 VanDerWaalsContact C-N 3.35Å; L673-S675 PolarHBondContact O-N 3.29Å
674R36.7Very low33.9Very low263 Ų263148 Ų14899%0.99279%0.789SS**  trans-8381.5161-172.7-172.3-178.6-171.42.7109
675S32Very low33.7Very low67 Ų67150 Ų15047%0.46979%0.792SS.*  trans-147.4110.2-179.762.40000115L673L673-S675 VanDerWaalsContact C-N 3.35Å; L673-S675 PolarHBondContact O-N 3.29Å
676K32.9Very low33.3Very low196 Ų196145.4 Ų145.485%0.85279%0.791SS**  trans71138149.5-61-178.3-174.6-179.50115.3
677L30.8Very low32.9Very low133 Ų133144 Ų14470%0.69679%0.793SS**  cis-152.8170.75.2-113.6159.6000112
678R36.1Very low32.4Very low204 Ų204140.3 Ų140.377%0.7779%0.79SS**  trans-50.4158172.6-51.1150.6-177.6160.2-4.3114.3
679P32.3Very low31.9Very low133 Ų133142.2 Ų142.286%0.86479%0.79SS**  trans-82.7138.2145.41.917.6000110.8
680S30.4Very low31.3Very low98 Ų98138.9 Ų138.969%0.68579%0.789SS**  trans-162.6108.9170.858.30000115.4
681K26.9Very low30.8Very low222 Ų222138.1 Ų138.197%0.96579%0.786SS**  trans57.5177.3160.7-13574.9173.9-173.70117.2
682A30.2Very low30.6Very low99 Ų99139.1 Ų139.182%0.81878%0.782SS**  trans-141.5157.1-160.100000114.2
683A28.6Very low30.4Very low102 Ų102140.9 Ų140.984%0.84379%0.786SS**  trans179.9161.3165.300000107.7
684D26.3Very low30.2Very low146 Ų146139.6 Ų139.678%0.78178%0.78SS**  cis-169.2171-29.1-176.1-148.9000107.9
685V28.4Very low29.9Very low132 Ų132133 Ų13380%0.877%0.765SS**  trans71.4131.9167-166.50000118.8
686G25.1Very low30Very low76 Ų76134.2 Ų134.278%0.78477%0.772SS**  trans161.4111.7160.600000115.4
687S25.7Very low30.1Very low123 Ų123130.7 Ų130.786%0.8677%0.773SS**  trans-102.1151.1-177.3-51.10000113.9
688S26.6Very low30.1Very low106 Ų106129.1 Ų129.174%0.74178%0.779SS**  -175.6-178.6119.7-123.10000114.5
689E26.9Very low29.8Very low178 Ų178124.4 Ų124.483%0.83278%0.783SS**  trans-59.5166.5-177.4-53.4112.7120.100115.5
690G27.5Very low29.8Very low71 Ų71121 Ų12173%0.73277%0.773SS**  cis165.6-166.9-2.800000113.7
691N30.5Very low29.9Very low141 Ų141122.2 Ų122.275%0.75478%0.781SS**  trans70.8116.3174.7-86.110.5000121.5
692H35.3Very low30.1Very low150 Ų150117.3 Ų117.369%0.69478%0.775SS**  trans52.1143.9134-55.4-43.3000121.3
693Q33.4Very low30.1Very low171 Ų171118 Ų11880%0.79977%0.773SS**  cis-153.5158.925.1-141.8158.542.400112.6
694N31.8Very low31Very low120 Ų120118.4 Ų118.464%0.64277%0.768SS**  trans-11.6153.7160.5-62.258.7000119
695D30.6Very low31.1Very low126 Ų126116.1 Ų116.167%0.67476%0.763SS**  cis-172.1172-0.6-103.6-18.9000109.3
696S34.4Very low31.2Very low91 Ų91114.7 Ų114.764%0.63676%0.759SS**  cis-176.5154.9-36.5-100.20000111.3
697S34.3Very low31.4Very low122 Ų122116.1 Ų116.185%0.85376%0.757SS**  trans72.4149.816385.70000118.6
698A31.6Very low31.7Very low100 Ų100115.5 Ų115.583%0.82675%0.753SS**  cis-146.1141.33.100000113.3
699A28.6Very low32.3Very low105 Ų105116.3 Ų116.387%0.86876%0.756SS**  trans-156.9132.1159.300000110.6
700G32.8Very low32.4Very low62 Ų62115.8 Ų115.864%0.63976%0.757SS**  trans-87.1143.4162.900000110.1
701S32.7Very low32.6Very low124 Ų124120.2 Ų120.287%0.86776%0.758SS**  55.1126.674.4690000113.4
702S31.1Very low32.8Very low119 Ų119120.1 Ų120.183%0.83276%0.756SS**  cis-1561572.445.90000113.3
703S30.1Very low33Very low112 Ų112118.1 Ų118.178%0.78376%0.757SS**  trans-69.3179.2174.4-25.90000113.6
704P48.2Very low32.8Very low111 Ų111115.9 Ų115.972%0.72175%0.754SS**  cis-138.7-175.2-2.839.2-19.6000117
705S28.1Very low32.8Very low99 Ų99117.7 Ų117.769%0.69276%0.763SS**  trans84.1110.4145.960.70000123.4
706S28.9Very low32.6Very low101 Ų101118.8 Ų118.871%0.70677%0.769SS**  trans55.9107.9133.660.90000123.4
707S30.1Very low32.3Very low107 Ų107120.7 Ų120.775%0.74877%0.772SS**  25.7140.1117.160.50000121.9
708S32.8Very low32Very low109 Ų109119.5 Ų119.576%0.76276%0.764SS**  cis-155.9-150.5-12.7-63.10000109.6
709P39.3Very low31.8Very low124 Ų124123.5 Ų123.581%0.80576%0.762SS**  trans-81158-140.541-35.9000115.9
710I28.5Very low31.6Very low167 Ų167123 Ų12386%0.85675%0.753SS**  trans-101153.4168.9-68.6175.7000110.2
711H30.8Very low31.1Very low163 Ų163125 Ų12576%0.75576%0.757SS**  trans-136.4167.5176.8-163.8-85.2000109.9
712I34.9Very low30.8Very low139 Ų139126.3 Ų126.371%0.71375%0.754SS**  trans76.9133.9176-46.4-69000115.9
713P39.1Very low30.6Very low109 Ų109127.6 Ų127.671%0.70875%0.747SS**  trans-99148.5172.936.9-33.4000115.5
714V30.7Very low31.2Very low124 Ų124127 Ų12775%0.75274%0.741SS**  trans64.2109140.5179.50000120.6
715L30.7Very low30.1Very low157 Ų157129.8 Ų129.882%0.82274%0.741SS**  trans64.5153153.2-60.9169.1000118.1
716N27.5Very low30Very low150 Ų150132.8 Ų132.880%0.80275%0.749SS**  cis-142.2-169.413.6-154.7-3.6000113.5
717N27.6Very low30.7Very low131 Ų131133.2 Ų133.270%0.70175%0.749SS**  trans-98.7147-149.4-172.231000119.3
718S26.9Very low31.8Very low97 Ų97132.9 Ų132.968%0.67874%0.744SS**  trans68159.9150.277.20000119.7
719K27.5Very low31.8Very low184 Ų184135.7 Ų135.780%0.874%0.743SS**  cis-163147.210.5-151.9-175.9172.2179.70113.8
720S24.2Very low31.4Very low95 Ų95136.1 Ų136.166%0.66473%0.734SS**  trans51.6130.7145.860.80000125.8
721S23.7Very low31.6Very low104 Ų104134.3 Ų134.373%0.72772%0.724SS**  trans90.6129.9130.1-97.90000124.7
722D25.6Very low31.4Very low151 Ų151133.8 Ų133.881%0.80773%0.727SS**  trans89.3157.1134.9-81.6-84.1000125
723E26.5Very low31Very low146 Ų146129.9 Ų129.968%0.68272%0.721SS**  trans-58.7171.2-176.1-116.2-147.266.700114.7K725E723-K725 PolarHBondContact OE1-N 3.2Å; E723-K725 VanDerWaalsContact OE1-N 3.16Å
724P42.6Very low30.5Very low100 Ų100132.7 Ų132.765%0.64973%0.729SS**  cis-150.5168.13943.2-21.4000122.4
725K25.7Very low30.4Very low169 Ų169132 Ų13274%0.73573%0.731SS**  trans57.9110.1140.6-74.6163.2-169.6159.40123.4E723E723-K725 PolarHBondContact OE1-N 3.2Å; E723-K725 VanDerWaalsContact OE1-N 3.16Å
726L26.3Very low30.2Very low162 Ų162134 Ų13485%0.84874%0.736SS**  19158.697-70.1178.4000120
727P44.2Very low30.3Very low109 Ų109134.2 Ų134.271%0.70873%0.732SS**  cis-137.1-124-12.929.9-2.2000114.5
728P53.6Low30.4Very low100 Ų100136 Ų13665%0.64973%0.733SS**  -131.1-160.4-10240-19.5000116
729K31Very low30.4Very low168 Ų168137.2 Ų137.273%0.7374%0.742SS**  trans108.1138.3153.2-55.3-152.5175.1-176.90116.2
730H31Very low30.6Very low134 Ų134133.9 Ų133.962%0.6274%0.741SS**  cis-163.7152.90-132.9-142.2000113.5
731I32.5Very low32.4Very low128 Ų128134.9 Ų134.966%0.65675%0.746SS**  trans34.3155.1150.771.4-178.5000121.5
732N26.7Very low33.2Very low152 Ų152135.8 Ų135.881%0.81375%0.749SS**  cis-155.9172-3.7-117.37.3000106.4
733G27Very low34.1Very low58 Ų58134.8 Ų134.860%0.59875%0.751SS**  cis149.7138.4-1.100000111.5
734L28.7Very low34.6Very low167 Ų167137 Ų13787%0.87476%0.759SS**  trans65117.2166-85.467.5000121
735S29.2Very low34.4Very low111 Ų111138.2 Ų138.278%0.77677%0.766SS**  trans-43.7152.3144.9-22.80000115
736Q27.1Very low34.6Very low198 Ų198134.1 Ų134.193%0.92576%0.764SS**  trans-158.8-177.1131.7-117.4175.67.400113.6
737E29.7Very low34.8Very low154 Ų154132.8 Ų132.872%0.7276%0.762SS**  trans-125.2166.1-141.2-164.8-157.5129.400113.1
738K29.6Very low34.8Very low169 Ų169133.2 Ų133.274%0.73577%0.765SS**  trans91.1155.6156.9-54.8-179.8-177.51760121.4
739S26.6Very low34.8Very low122 Ų122133.1 Ų133.185%0.85376%0.764SS**  trans99.5167.6156.980.30000119.1
740S30.8Very low34.7Very low114 Ų114133.2 Ų133.280%0.79777%0.767SS**  trans-130.1-174.8-144-50.40000112
741P61.6Low34.6Very low117 Ų117134.8 Ų134.876%0.7677%0.772SS**  trans-105.7177-150.742.8-41.1000116.9
742P41Very low34.5Very low122 Ų122136.4 Ų136.479%0.79278%0.777SS**  trans-104.7169.1150.7-1.223.1000114.2
743P45Very low35.3Very low131 Ų131134.6 Ų134.685%0.85177%0.773SS**  trans-116.8-170.4-159.143.4-34.5000117.9
744K36.1Very low35.9Very low193 Ų193138 Ų13884%0.83979%0.785SS**  trans-86173.2-176.4-49.7168.7-175.5172.90113.4
745P39.4Very low36.1Very low124 Ų124139.3 Ų139.381%0.80579%0.787SS**  -128.8145.790.93.619.4000113.7
746A29Very low36.7Very low84 Ų84145.1 Ų145.169%0.69479%0.791SS**  72.7117.681.800000114.2
747V31.1Very low37.3Very low134 Ų134141 Ų14181%0.81278%0.782SS**  cis73.8130.342.7-177.20000111.8
748P44.2Very low37.9Very low118 Ų118139.4 Ų139.477%0.76679%0.785SS**  cis-128.4-119.54.830.4-2.8000115.9
749P52.9Low38.2Very low97 Ų97136.2 Ų136.263%0.6379%0.79SS**  -136.2177.1-129.542.3-20.2000118.3
750H29.7Very low38.4Very low171 Ų171139.3 Ų139.379%0.79279%0.793SS**  160.8151.5126-99-72.9000116.3
751K29.2Very low38.9Very low166 Ų166138 Ų13872%0.72279%0.789SS**  trans68.1113.7145.7-79.3-169.3172.6-1580123.1
752E30.1Very low37.9Very low162 Ų162139 Ų13976%0.75780%0.796SS**  82.8127.8119.4-146165.5154.100119.6
753P43.2Very low37.6Very low114 Ų114142.9 Ų142.974%0.7480%0.8SS**PPolyproline II helixtrans-95.5142.8-174.436.2-34000114.4
754P39.1Very low37.5Very low129 Ų129147.9 Ų147.984%0.83880%0.802SS**PPolyproline II helixtrans-79.7164.9171.332.7-34.2000113.6
755Q34.3Very low37.9Very low196 Ų196143.8 Ų143.892%0.91680%0.795SS**PPolyproline II helixtrans-83168-160.3-62.4170.3-9.800116.2
756R41.8Very low38.1Very low232 Ų232143.3 Ų143.388%0.87579%0.792SS**PPolyproline II helixtrans-85.9133.5177.2172.1-158.7-65.9173.8-2.3112.9
757P39.8Very low38.7Very low113 Ų113144.7 Ų144.773%0.73479%0.794SS**PPolyproline II helixtrans-92.5159.5152.9-10.429.7000113.2
758P41.2Very low39Very low120 Ų120144.4 Ų144.478%0.77980%0.795SS**PPolyproline II helixtrans-93.2164.4-156.336.3-37.9000116.5
759A35.6Very low38.4Very low101 Ų101148.4 Ų148.484%0.83580%0.8SS**PPolyproline II helixtrans-78.5153.8171.600000112.9
760M32.2Very low37.2Very low188 Ų188152.9 Ų152.993%0.92681%0.81SS**  trans-118.2130.9171-73.2177.660.200110.5
761A40.2Very low37.2Very low86 Ų86151.1 Ų151.171%0.71181%0.811SS**  trans-104.8140.3178.800000111.9K763A761-K763 PolarHBondContact O-N 2.89Å
762P40.4Very low37.4Very low138 Ų138149.9 Ų149.990%0.89681%0.812SS**PPolyproline II helixtrans-66126.8168.8-18.231.9000111.1
763K35.7Very low38.1Very low203 Ų203147.7 Ų147.788%0.88381%0.812SS**PPolyproline II helixtrans-91.9139.1178.2-68.7-179.3178.8177.50111.5A761A761-K763 PolarHBondContact O-N 2.89Å
764R41.7Very low37.3Very low236 Ų236148.1 Ų148.189%0.89182%0.818SS**PPolyproline II helixtrans-71.1140.3173.6-174.8-174.9-75.1-171.7-3.5110.8
765P44.3Very low36.8Very low108 Ų108147.3 Ų147.370%0.70182%0.816SS**PPolyproline II helixtrans-71.6153.8174.229.3-35.2000112.9
766P43.4Very low37.3Very low114 Ų114143.5 Ų143.574%0.7481%0.808SS**PPolyproline II helixtrans-86.1161.3-177.435.3-36.4000113.8
767P41.8Very low36.7Very low112 Ų112137.8 Ų137.873%0.72780%0.799SS**PPolyproline II helixtrans-78.2149.7177.832.3-35.7000113.2
768P37.5Very low36.1Very low128 Ų128139.9 Ų139.983%0.83180%0.799SS**PPolyproline II helixtrans-69.5149.1169.730.1-34.2000111.7
769K31.9Very low35.5Very low203 Ų203141.2 Ų141.288%0.88380%0.799SS**PPolyproline II helixtrans-90158.9-180-67.8-177.8178.3-1800112.2
770K28.3Very low35.2Very low190 Ų190145.5 Ų145.583%0.82680%0.799SS**PPolyproline II helixtrans-67.7157.5169.3-62.2-176.5177.3-173.70112
771T30.2Very low35.9Very low134 Ų134141.5 Ų141.582%0.82279%0.787SS**  trans-141.3117.9163.350.50000109.3
772D32.5Very low36Very low140 Ų140143.3 Ų143.375%0.74979%0.792SS**  trans-81.8170.6170.9-53.7-79.6000111
773P44.1Very low35.4Very low117 Ų117141.3 Ų141.376%0.7678%0.781SS**  -149.7156.710937.8-22000117.8
774S27.3Very low35Very low122 Ų122138.7 Ų138.785%0.85378%0.776SS**  trans77.5128.4150.4-62.60000122.8
775S28.9Very low34.4Very low113 Ų113136 Ų13679%0.7977%0.771SS**  trans-86.5-169.9161.9-23.10000110.9
776P44.4Very low33.6Very low116 Ų116138.5 Ų138.575%0.75377%0.773SS**  cis-122.3-162.421.929.3-2.7000112.5
777T29.7Very low33.5Very low112 Ų112138.5 Ų138.569%0.68777%0.773SS**  cis-157.2169.324.7-39.90000112.9
778E27.4Very low32.8Very low157 Ų157140.7 Ų140.773%0.73477%0.773SS**  trans-25.9149.5172.2-61.2165.870.600118.9
779N29.1Very low32.4Very low148 Ų148142.5 Ų142.579%0.79177%0.771SS**  -165177.472.6-125.4-66.5000118.3
780K28.2Very low32.3Very low190 Ų190138.2 Ų138.283%0.82676%0.762SS**  trans-91.3167.6-172.2-111.4-166.4171.7178.30115.3
781P47.4Very low32.9Very low105 Ų105135 Ų13568%0.68276%0.76SS**  trans-101.4169.7-175.240.6-35.9000115.3
782P42Very low33.1Very low123 Ų123137.8 Ų137.880%0.79976%0.761SS**  trans-144.7174.3131.438.3-24.2000114.6
783S27.7Very low33.4Very low96 Ų96137.5 Ų137.567%0.67177%0.767SS**  cis-179.2136.7-46-98.50000112.1
784L28Very low32.7Very low149 Ų149135.4 Ų135.478%0.7877%0.766SS**  trans70.8160.9159-57.4164.6000117.2
785K28.1Very low33.8Very low180 Ų180135.5 Ų135.578%0.78376%0.764SS**  cis-154.8160.410.2-140.5155-167.3178.30114.8
786E28.4Very low35Very low160 Ų160136 Ų13675%0.74876%0.764SS**  trans-67-176.9165.3-86.7167.283.100114.7
787P40.1Very low35Very low113 Ų113136.1 Ų136.173%0.73477%0.765SS**  cis-12517711.918.99000114.8
788Q26.8Very low35.1Very low158 Ų158138.8 Ų138.874%0.73877%0.77SS**  48.9143.869.1-67.8-168.56.700114.9
789E29.1Very low35.3Very low166 Ų166139.3 Ų139.378%0.77678%0.777SS**  cis-149.3-153.316.9-143.7-161.3113.800114.7
790T30Very low35.5Very low113 Ų113139.1 Ų139.169%0.69378%0.776SS**  trans-102.4-175.5-170.778.80000113.2
791P42.6Very low35.8Very low122 Ų122138.5 Ų138.579%0.79277%0.768SS**  cis-148.9-162.940.742.6-17.8000118.4
792K33Very low35.4Very low194 Ų194136.7 Ų136.784%0.84376%0.756SS**  trans-80.1180177.8-66.3169.4-178.3166.80112.2
793P40.1Very low35.4Very low134 Ų134133.3 Ų133.387%0.8774%0.735SS**  cis-152-175.82345.3-23.7000120.1
794G29.4Very low36.5Very low72 Ų72134.2 Ų134.274%0.74274%0.738SS**  trans113.2139.7146.800000120.7
795P48.9Very low36.9Very low125 Ų125133.2 Ų133.281%0.81274%0.741SS**  trans-103.6176.517040.6-33.8000113
796P54.2Low37.2Very low122 Ų122134.2 Ų134.279%0.79275%0.745SS**  cis-132.9-136.721.937.5-11.8000111.9
797P44.2Very low38.3Very low119 Ų119132.4 Ų132.477%0.77375%0.747SS**  cis-131.8-107.7-12.337.6-13.4000117.1
798Q31.6Very low37.9Very low168 Ų168137 Ų13779%0.78576%0.755SS**  trans-157.5146.7-158-83.2-84.1-7.500114.3
799L31.5Very low38.2Very low169 Ų169134 Ų13489%0.88576%0.758SS**  trans168.4-178133.2-88.7167000114.7
800N33.3Very low38.5Very low143 Ų143134.4 Ų134.477%0.76576%0.757SS**  trans-131.3149.2-132.6-143.1-17.6000118.8F575F575-N800 VanDerWaalsContact CE1-O 3.22Å; F575-N800 WeakPolarHBondContact CE1-O 3.26Å
801R36.3Very low38.4Very low178 Ų178134.9 Ų134.967%0.67276%0.759SS**  trans-150.4130.1-157.1173.2-84.6-121.2152.90.8121.2F575F575-R801 HydrophobicContact CD1-CB 4.13Å; F575-R801 HydrophobicContact CD1-CG 4.25Å; F575-R801 HydrophobicContact CD2-CG 4.37Å; F575-R801 HydrophobicContact CE1-CB 3.51Å; F575-R801 HydrophobicContact CE1-CG 3.9Å; F575-R801 HydrophobicContact CE2-CB 4.38Å; F575-R801 HydrophobicContact CE2-CG 3.94Å; F575-R801 HydrophobicContact CG-CG 4.47Å; F575-R801 HydrophobicContact CZ-CB 3.62Å; F575-R801 HydrophobicContact CZ-CG 3.69Å
802P38Very low37.7Very low66 Ų66136.1 Ų136.143%0.42976%0.755SS.*  trans-120.5-148.2159.73.622.3000113.3F575 K576F575-P802 WeakPolarHBondContact CA-O 3.31Å; F575-P802 PolarHBondContact N-O 3.23Å; K576-P802 HydrophobicContact CB-CB 4.15Å; K576-P802 HydrophobicContact CB-CG 3.98Å; K576-P802 WeakPolarHBondContact O-CD 3.47Å
803P43.1Very low38.6Very low53 Ų53132.2 Ų132.234%0.34475%0.749SS.*  cis-135.8-152-17.750.9-34.4000114.8P574 F575 K576P574-P803 VanDerWaalsContact C-CD 3.42Å; F575-P803 WeakPolarHBondContact O-CD 3.4Å; F575-P803 WeakPolarHBondContact O-CG 3.43Å; K576-P803 HydrophobicContact CB-CB 3.56Å; K576-P803 HydrophobicContact CB-CG 3.7Å; K576-P803 HydrophobicContact CG-CB 3.7Å; K576-P803 HydrophobicContact CG-CG 4.05Å
804P49.7Very low38.8Very low114 Ų114130.7 Ų130.774%0.7474%0.739SS**  trans-144.7-178.1166.544.5-28.1000118.1
805P37.2Very low38.6Very low129 Ų129132.2 Ų132.284%0.83874%0.739SS**  trans-99-167.6162.337.8-32.7000115.2
806K34.5Very low37.7Very low201 Ų201133.1 Ų133.187%0.87474%0.735SS**  trans-135.5168.3-158.6-81-177.3178.5177.90117.1
807P51.8Low36.5Very low121 Ų121135.6 Ų135.679%0.78673%0.733SS**  trans-101.6-163.817442.5-37.9000115
808K30.8Very low35.8Very low210 Ų210136.1 Ų136.191%0.91373%0.73SS**  trans-142.7172.6175.5-72.9-176.9-179.6-1790108.8
809A33.5Very low35.7Very low95 Ų95135.6 Ų135.679%0.78573%0.725SS**  cis178161.4-28.400000107
810F34.5Very low35.5Very low174 Ų174134 Ų13476%0.76372%0.717SS**  cis-171.7-162-25.8-177.8-120.2000108.3
811V28.9Very low35.3Very low123 Ų123134.1 Ų134.175%0.74572%0.718SS**  trans92.6151.8165.8-166.50000117.5
812Q28.2Very low35.8Very low149 Ų149130.3 Ų130.370%0.69672%0.716SS**  trans-142.8-162.7-161.7-48.2178.1-26.600110.5
813P51.3Low35.3Very low111 Ų111137.1 Ų137.172%0.72174%0.739SS**  cis-126.6-50.2-20.417.91.1000125.6
814P43.3Very low34.7Very low102 Ų102138.6 Ų138.666%0.66276%0.764SS**  -126.3140.8-107.535.3-19.1000121.6
815S26.4Very low33.6Very low105 Ų105140.5 Ų140.573%0.73477%0.768SS**  73.2152.3129.476.60000126
816I30Very low33.3Very low144 Ų144143.5 Ų143.574%0.73877%0.768SS**  trans104.8103.4151.4-75165000121.3
817K27.8Very low33.2Very low173 Ų173138.3 Ų138.375%0.75276%0.763SS**  trans69.3127.3135.4-64.6-167.4176.4-174.40124.7
818D29.9Very low32.4Very low131 Ų131138.6 Ų138.670%0.70177%0.765SS**  54.4146.8118.7-55.3-49.3000121
819K29.4Very low32.5Very low157 Ų157136.3 Ų136.368%0.68376%0.761SS**  cis-164.9172.61.7-135.5169.4151-73.10113.1
820D28.2Very low33.2Very low134 Ų134137.2 Ų137.272%0.71776%0.758SS**  trans76.5161.2151.4-75.9-60.3000122.7
821D28.9Very low33.6Very low146 Ų146134.6 Ų134.678%0.78176%0.759SS**  trans-140.1-168.4-165.2-131.5-44.4000106.1
822P46.7Very low33.9Very low98 Ų98138.3 Ų138.364%0.63677%0.765SS**  cis-135.2-174.6-22.239.8-21.5000114.6
823K28.3Very low34.4Very low209 Ų209136.1 Ų136.191%0.90976%0.764SS**  trans45.8120149.9-81.8177.7173.31730120.7
824G28.7Very low33.3Very low85 Ų85139.1 Ų139.188%0.87677%0.768SS**  trans-146145.4160.300000112.1
825N27.8Very low32.6Very low153 Ų153141.7 Ų141.782%0.81877%0.773SS**  trans-124.6158.9-164-159.71.9000112.8
826K29.7Very low32.7Very low193 Ų193145.8 Ų145.884%0.83978%0.778SS**  trans78.7150.4170.2-54.7-179.9177.1-179.60119.7
827A32.3Very low33.6Very low92 Ų92144.3 Ų144.376%0.7678%0.778SS**  trans-103.2169.116000000109.6
828P36.6Very low33.4Very low127 Ų127145.4 Ų145.483%0.82579%0.785SS**  -148.1-178.480.739.1-19.8000116.9
829I32.5Very low33.7Very low162 Ų162148.9 Ų148.983%0.83179%0.794SS**  trans-64141174.2-61.3148.4000110.1
830P48.2Very low33.6Very low114 Ų114147.3 Ų147.374%0.7480%0.803SS**  -136-146.758.135.9-12000111.8
831P43.6Very low33.5Very low119 Ų119144.2 Ų144.277%0.77380%0.803SS**  cis-139.2-161.9-4.144.1-23.3000116.5
832K34Very low34.4Very low200 Ų200143.3 Ų143.387%0.8781%0.805SS**  trans-154.5157.1169.6-103.8177.2-178.4175.80107.1
833P39.6Very low34Very low103 Ų103144.3 Ų144.367%0.66981%0.811SS**  -157.7-169.26345.3-24000117.7
834Q27.6Very low34.1Very low174 Ų174142.8 Ų142.881%0.81381%0.805SS**  trans67161.5155.7-74.2170.9-3.100120.2
835M29Very low34.2Very low156 Ų156145.6 Ų145.677%0.76880%0.799SS**  cis-165.6114.2-49.3-126.9-179.668.900113.6
836K28.7Very low34.3Very low192 Ų192147.5 Ų147.584%0.83580%0.8SS**  trans55.6-170.8154.3-80-174.3177-178.70117
837P47.2Very low34.8Very low113 Ų113146.4 Ų146.473%0.73480%0.803SS**  -126.6166-57.536.1-23.5000113.7
838E25.4Very low34.9Very low196 Ų196147.5 Ų147.592%0.91680%0.802SS**  trans-161175.8138-126.6-174.686.900113
839K35.2Very low35.5Very low204 Ų204146.8 Ų146.889%0.88780%0.798SS**  trans-158.5122.4-167.5-178.2-172.5179.9-172.90113.3
840S27.1Very low35.6Very low124 Ų124147.2 Ų147.287%0.86780%0.801SS**  trans-151.216117153.90000112.8
841G25.4Very low35.4Very low69 Ų69148.7 Ų148.771%0.71180%0.802SS**  trans-153.9-161.4175.900000109.6
842P49.7Very low35.1Very low126 Ų126152.8 Ų152.882%0.81881%0.807SS**  cis-109.6-108.13.830.3-8000111.6
843P36.7Very low35.1Very low120 Ų120151.6 Ų151.678%0.77981%0.805SS**  cis-110.2-102.9-1.837.5-19.6000114.9
844K31.4Very low35Very low177 Ų177149.5 Ų149.577%0.7779%0.791SS**  trans-154.5171.4-171.2-70-176173.5-177.80112.9
845D30.2Very low35.8Very low143 Ų143144.2 Ų144.277%0.76577%0.773SS**  trans67.2131159.3-51.7-46.5000116.8
846K29.4Very low36.9Very low193 Ų193145.1 Ų145.184%0.83977%0.773SS**  cis-143.6149.130.1-63171.9-179.9-178.10112.8
847L40.6Very low38Very low170 Ų170140.6 Ų140.689%0.8976%0.758SS**  trans-76.8145.2156.9-69.6170.3000110.2
848P34.3Very low39.1Very low115 Ų115139.8 Ų139.875%0.74775%0.745SS**  -116.5158.7123.8-8.728.1000112.2
849P50Low42Very low112 Ų112132 Ų13273%0.72771%0.709SS**  trans-91.1162.3-172.437-36.1000113.2
850L34.7Very low44.4Very low171 Ų171123.5 Ų123.590%0.89567%0.672SS**  trans-150.598.2134.8-115.7167.3000108.8K852L850-K852 PolarHBondContact O-N 3.02Å
851L44.2Very low47.4Very low146 Ų146120.2 Ų120.276%0.76464%0.644SS**  trans-53.5133.8156.3-75.8156.9000107.3E853L851-E853 PolarHBondContact O-N 2.88Å
852K36.6Very low50.5Low205 Ų205117 Ų11789%0.89161%0.61SS**  trans-70.8105.5151.1-95.5-171.6165.8-164.90105.8L850L850-K852 PolarHBondContact O-N 3.02Å
853E34Very low52.2Low174 Ų174114.6 Ų114.681%0.81359%0.593SS**PPolyproline II helixtrans-56131.6158.3-64.8179.4111.300107.3L851 S855L851-E853 PolarHBondContact O-N 2.88Å; E853-S855 PolarHBondContact O-N 3.35Å
854P38.2Very low54.4Low60 Ų60110.8 Ų110.839%0.3957%0.572SS.*PPolyproline II helixtrans-61.3132.5176.225-32.9000108.8K856P854-K856 PolarHBondContact O-N 3.11Å; P854-K856 VanDerWaalsContact O-N 3.14Å
855S44.9Very low57Low62 Ų62105.9 Ų105.943%0.43455%0.554SS.*PPolyproline II helixtrans-51.5121.9167.5-12.40000107.2E853 D857 E858E853-S855 PolarHBondContact O-N 3.35Å; S855-D857 PolarHBondContact O-N 2.86Å; S855-E858 PolarHBondContact O-N 3.32Å; S855-E858 PolarHBondContact OG-OE2 3.14Å
856K50.2Low59.4Low176 Ų176100.7 Ų100.777%0.76553%0.525SS*.G310 helixtrans-54.6-24.6-174.8-70.1-174.7176.4-1770113P854 E858 L859P854-K856 PolarHBondContact O-N 3.11Å; P854-K856 VanDerWaalsContact O-N 3.14Å; K856-E858 PolarHBondContact O-N 2.92Å; K856-L859 PolarHBondContact O-N 2.95Å
857D52.5Low61.7Low96 Ų96100 Ų10051%0.51352%0.524SS..G310 helixtrans-62.6-16.6173.8-61.5-78.8000116.7S855 Y860 K912S855-D857 PolarHBondContact O-N 2.86Å; D857-Y860 PolarHBondContact O-OH 3.44Å; D857-K912 VanDerWaalsContact CA-CE 3.49Å; D857-K912 WeakPolarHBondContact O-CE 3.32Å; D857-K912 IonicContact OD1-NZ 3.22Å; D857-K912 PolarHBondContact OD1-NZ 2.64Å
858E70.9Confident63.1Low97 Ų9793 Ų9345%0.45349%0.493SS..G310 helixtrans-102.82-175.6-70.3173.6138.100113.4S855 K856 Y860 V883S855-E858 PolarHBondContact O-N 3.32Å; S855-E858 PolarHBondContact OG-OE2 3.14Å; K856-E858 PolarHBondContact O-N 2.92Å; E858-Y860 WeakPolarHBondContact O-CD2 3.42Å; E858-V883 PolarHBondContact O-N 2.83Å; E858-V883 VanDerWaalsContact O-N 3.14Å
859L84.9Confident64.8Low33 Ų3392.7 Ų92.717%0.17349%0.485CS..EExtended strand (participates in β ladder)trans-93.5131.5173.2-66.8172.2000111.8K856 V880 E882 V897 K913K856-L859 PolarHBondContact O-N 2.95Å; L859-V880 HydrophobicContact CD2-CG1 4.13Å; L859-E882 HydrophobicContact CD2-CB 4.29Å; L859-V897 HydrophobicContact CD2-CG2 3.93Å; L859-K913 HydrophobicContact CB-CB 4.39Å; L859-K913 VanDerWaalsContact O-CB 3.28Å; L859-K913 WeakPolarHBondContact O-CB 3.43Å; L859-K913 PolarHBondContact O-N 2.64Å
860Y87.5Confident65.1Low25 Ų2597.2 Ų97.210%0.09850%0.497CS..EExtended strand (participates in β ladder)trans-126.8148.3-177.5-68.6-106.5000110.1D857 E858 V880 F881 V883 K886 W892 L910 S911 K912D857-Y860 PolarHBondContact O-OH 3.44Å; E858-Y860 WeakPolarHBondContact O-CD2 3.42Å; Y860-V880 WeakPolarHBondContact O-CA 3.3Å; Y860-F881 PolarHBondContact N-O 3.17Å; Y860-F881 PolarHBondContact O-N 2.81Å; Y860-V883 HydrophobicContact CD1-CG2 4.49Å; Y860-V883 HydrophobicContact CD2-CB 4.07Å; Y860-V883 HydrophobicContact CD2-CG2 3.28Å; Y860-V883 HydrophobicContact CE2-CB 4.25Å; Y860-V883 HydrophobicContact CE2-CG2 3.87Å; Y860-V883 HydrophobicContact CG-CG2 3.7Å; Y860-K886 VanDerWaalsContact CZ-NZ 3.3Å; Y860-K886 PolarHBondContact OH-NZ 3.35Å; Y860-W892 AromaticContact CD1-CZ3 3.72Å; Y860-W892 HydrophobicContact CD1-CZ3 3.72Å; Y860-W892 HydrophobicContact CE1-CH2 4.17Å; Y860-W892 AromaticContact CE1-CZ3 3.61Å; Y860-W892 HydrophobicContact CE1-CZ3 3.61Å; Y860-W892 HydrophobicContact CG-CZ3 4.5Å; Y860-L910 HydrophobicContact CD1-CB 4.38Å; Y860-S911 CarbonylContact C-O 3.58Å; Y860-S911 WeakPolarHBondContact CA-O 3.42Å; Y860-S911 VanDerWaalsContact CB-O 3.29Å; Y860-S911 WeakPolarHBondContact CB-O 3.09Å; Y860-S911 WeakPolarHBondContact CD1-O 3.29Å; Y860-K912 VanDerWaalsContact CD1-CA 3.47Å; Y860-K912 HydrophobicContact CD1-CB 4.07Å; Y860-K912 HydrophobicContact CE1-CB 3.61Å; Y860-K912 HydrophobicContact CE1-CG 4.02Å
861L90Very high66Low55 Ų5597.9 Ų97.929%0.28850%0.495SS..EExtended strand (participates in β ladder)trans-111128.3179.9-16676.5000109.4V863 G878 V880 S911L861-V863 PolarHBondContact O-N 3.07Å; L861-G878 VanDerWaalsContact CD1-O 3.24Å; L861-G878 WeakPolarHBondContact CD1-O 3.33Å; L861-V880 HydrophobicContact CD1-CG2 3.72Å; L861-S911 PolarHBondContact N-O 3.23Å; L861-S911 PolarHBondContact O-N 3.17Å; L861-S911 PolarHBondContact O-OG 2.95Å; L861-S911 VanDerWaalsContact O-OG 3.07Å
862A89.3Confident67Low0 Ų092.5 Ų92.50%047%0.468CS..EExtended strand (participates in β ladder)trans-60.3120.7169.700000110.2F875 K876 G878 T879 F881 Y909A862-F875 HydrophobicContact CB-CD2 3.71Å; A862-F875 HydrophobicContact CB-CE2 3.78Å; A862-K876 VanDerWaalsContact CB-O 3.31Å; A862-K876 WeakPolarHBondContact CB-O 3.3Å; A862-G878 PolarHBondContact O-N 3.09Å; A862-T879 PolarHBondContact N-O 3.06Å; A862-F881 HydrophobicContact CB-CD2 4.48Å; A862-F881 HydrophobicContact CB-CE2 4.17Å; A862-Y909 CarbonylContact C-O 3.54Å; A862-Y909 VanDerWaalsContact CA-O 3.27Å; A862-Y909 WeakPolarHBondContact CA-O 3.34Å
863V86.3Confident68.3Low77 Ų7785.4 Ų85.447%0.46745%0.445SS..  trans-94.6-8.4-178.9-650000114.1L861 Y909 S911L861-V863 PolarHBondContact O-N 3.07Å; V863-Y909 WeakPolarHBondContact CG2-O 3.15Å; V863-Y909 PolarHBondContact N-O 2.98Å; V863-S911 VanDerWaalsContact CG1-CB 3.47Å; V863-S911 WeakPolarHBondContact CG1-OG 3.25Å
864A82.9Confident70.3Confident39 Ų3981 Ų8132%0.32243%0.433SS..SBendtrans-147.4159.7173.600000109.9Y909A864-Y909 HydrophobicContact CB-CD1 3.86Å; A864-Y909 HydrophobicContact CB-CE1 4.01Å
865D84.6Confident72.6Confident75 Ų7578.6 Ų78.640%0.40142%0.417SS..  trans-64144.3166.4-82.713.8000110.6K876 V877 Y909D865-K876 HydrophobicContact CB-CD 4.3Å; D865-K876 WeakPolarHBondContact OD1-CA 3.33Å; D865-K876 VanDerWaalsContact OD1-CD 3.28Å; D865-K876 WeakPolarHBondContact OD1-CD 3.35Å; D865-K876 WeakPolarHBondContact OD2-CD 3.18Å; D865-K876 WeakPolarHBondContact OD2-CE 3.05Å; D865-K876 IonicContact OD2-NZ 2.69Å; D865-K876 PolarHBondContact OD2-NZ 3.48Å; D865-V877 PolarHBondContact OD1-N 3.37Å; D865-Y909 WeakPolarHBondContact O-CE1 3.39Å
866F80.9Confident74.4Confident33 Ų3381.3 Ų81.315%0.14542%0.421CS..BIsolated β-bridgetrans-134.9118.3173.1-179.5-97.2000109.1S874 F875 W891 P906 Y909F866-S874 CarbonylContact O-C 3.44Å; F866-S874 VanDerWaalsContact O-CA 3.22Å; F866-S874 WeakPolarHBondContact O-CA 3.36Å; F866-F875 HydrophobicContact CB-CD1 3.9Å; F866-F875 HydrophobicContact CB-CD2 4Å; F866-F875 HydrophobicContact CB-CE1 3.44Å; F866-F875 VanDerWaalsContact CB-CE1 3.44Å; F866-F875 HydrophobicContact CB-CE2 3.55Å; F866-F875 HydrophobicContact CB-CG 4.16Å; F866-F875 HydrophobicContact CB-CZ 3.25Å; F866-F875 AromaticContact CD1-CD1 3.89Å; F866-F875 HydrophobicContact CD1-CD1 3.89Å; F866-F875 AromaticContact CD1-CE1 3.46Å; F866-F875 HydrophobicContact CD1-CE1 3.46Å; F866-F875 VanDerWaalsContact CD1-CE1 3.46Å; F866-F875 HydrophobicContact CD1-CZ 4.11Å; F866-F875 HydrophobicContact CE1-CE1 4.39Å; F866-F875 HydrophobicContact CG-CD1 4.26Å; F866-F875 AromaticContact CG-CE1 3.59Å; F866-F875 HydrophobicContact CG-CE1 3.59Å; F866-F875 AromaticContact CG-CZ 3.74Å; F866-F875 HydrophobicContact CG-CZ 3.74Å; F866-F875 PolarHBondContact N-O 2.82Å; F866-F875 PolarHBondContact O-N 3.13Å; F866-F875 VanDerWaalsContact O-O 3.08Å; F866-W891 HydrophobicContact CZ-CH2 4.27Å; F866-P906 HydrophobicContact CD2-CG 4.26Å; F866-P906 HydrophobicContact CE2-CG 3.81Å; F866-P906 HydrophobicContact CZ-CG 4.27Å; F866-Y909 HydrophobicContact CB-CD1 4.19Å; F866-Y909 HydrophobicContact CB-CE1 4.38Å; F866-Y909 HydrophobicContact CD2-CD1 4.39Å; F866-Y909 HydrophobicContact CD2-CE1 4.15Å
867E78.7Confident76.1Confident179 Ų17977.2 Ų77.284%0.83641%0.41SS*.  trans-98.3104.5176.2-166.6157.8-146.100108.2
868G69.6Low77.5Confident23 Ų2374.5 Ų74.524%0.23741%0.405CS..  trans-86.6162.8-177.700000113.1T872G868-T872 CarbonylContact C-O 3.54Å; G868-T872 VanDerWaalsContact CA-O 3.3Å; G868-T872 WeakPolarHBondContact CA-O 3.4Å; G868-T872 WeakPolarHBondContact CA-OG1 3.41Å
869D69.9Low78.3Confident108 Ų10871.3 Ų71.358%0.57839%0.392SS*.  trans-90.3-172.7177.765.27000112.5Q871 T872D869-Q871 PolarHBondContact O-N 3.2Å; D869-Q871 WeakPolarHBondContact OD1-CA 3.08Å; D869-Q871 PolarHBondContact OD1-N 2.69Å; D869-T872 PolarHBondContact N-OG1 2.97Å; D869-T872 PolarHBondContact O-N 2.89Å; D869-T872 PolarHBondContact OD1-N 3.14Å; D869-T872 PolarHBondContact OD1-OG1 3.19Å
870E57.3Low78.5Confident208 Ų20871.2 Ų71.297%0.97239%0.393SS*.THydrogen-bonded Turntrans-60.4-5.3177.5-61.3-172.6142.600114.4
871Q53.7Low78.6Confident185 Ų18570.5 Ų70.586%0.86439%0.39SS*.THydrogen-bonded Turntrans-117.6-2.9175.5-56-150.6-37.700114.1D869D869-Q871 PolarHBondContact O-N 3.2Å; D869-Q871 WeakPolarHBondContact OD1-CA 3.08Å; D869-Q871 PolarHBondContact OD1-N 2.69Å
872T63.9Low78.5Confident32 Ų3270.7 Ų70.720%0.19639%0.39CS..SBendtrans-134.9127.5-17749.20000111.9G868 D869 S874 W891G868-T872 CarbonylContact C-O 3.54Å; G868-T872 VanDerWaalsContact CA-O 3.3Å; G868-T872 WeakPolarHBondContact CA-O 3.4Å; G868-T872 WeakPolarHBondContact CA-OG1 3.41Å; D869-T872 PolarHBondContact N-OG1 2.97Å; D869-T872 PolarHBondContact O-N 2.89Å; D869-T872 PolarHBondContact OD1-N 3.14Å; D869-T872 PolarHBondContact OD1-OG1 3.19Å; T872-S874 PolarHBondContact O-N 3.45Å; T872-W891 HydrophobicContact CG2-CZ3 4.46Å
873S63.8Low78.5Confident56 Ų5671.4 Ų71.439%0.39239%0.394SS..  trans-67.2119.9-179.8-53.30000111.4
874S77.5Confident78.4Confident82 Ų8271.5 Ų71.557%0.57339%0.392SS*.  trans-62139.716859.80000111.1F866 T872F866-S874 CarbonylContact O-C 3.44Å; F866-S874 VanDerWaalsContact O-CA 3.22Å; F866-S874 WeakPolarHBondContact O-CA 3.36Å; T872-S874 PolarHBondContact O-N 3.45Å
875F84.9Confident78.4Confident10 Ų1073.1 Ų73.14%0.04439%0.393CS..BIsolated β-bridgetrans-141.9166.6175.961.4-97.2000112.1A862 F866 F881 I905 Y909A862-F875 HydrophobicContact CB-CD2 3.71Å; A862-F875 HydrophobicContact CB-CE2 3.78Å; F866-F875 HydrophobicContact CB-CD1 3.9Å; F866-F875 HydrophobicContact CB-CD2 4Å; F866-F875 HydrophobicContact CB-CE1 3.44Å; F866-F875 VanDerWaalsContact CB-CE1 3.44Å; F866-F875 HydrophobicContact CB-CE2 3.55Å; F866-F875 HydrophobicContact CB-CG 4.16Å; F866-F875 HydrophobicContact CB-CZ 3.25Å; F866-F875 AromaticContact CD1-CD1 3.89Å; F866-F875 HydrophobicContact CD1-CD1 3.89Å; F866-F875 AromaticContact CD1-CE1 3.46Å; F866-F875 HydrophobicContact CD1-CE1 3.46Å; F866-F875 VanDerWaalsContact CD1-CE1 3.46Å; F866-F875 HydrophobicContact CD1-CZ 4.11Å; F866-F875 HydrophobicContact CE1-CE1 4.39Å; F866-F875 HydrophobicContact CG-CD1 4.26Å; F866-F875 AromaticContact CG-CE1 3.59Å; F866-F875 HydrophobicContact CG-CE1 3.59Å; F866-F875 AromaticContact CG-CZ 3.74Å; F866-F875 HydrophobicContact CG-CZ 3.74Å; F866-F875 PolarHBondContact N-O 2.82Å; F866-F875 PolarHBondContact O-N 3.13Å; F866-F875 VanDerWaalsContact O-O 3.08Å; F875-F881 HydrophobicContact CB-CE2 4.06Å; F875-F881 HydrophobicContact CB-CZ 3.66Å; F875-F881 HydrophobicContact CD1-CE2 4.39Å; F875-F881 HydrophobicContact CD1-CZ 4.11Å; F875-F881 AromaticContact CD2-CE2 3.96Å; F875-F881 HydrophobicContact CD2-CE2 3.96Å; F875-F881 HydrophobicContact CD2-CZ 4.35Å; F875-F881 AromaticContact CG-CE2 3.88Å; F875-F881 HydrophobicContact CG-CE2 3.88Å; F875-F881 AromaticContact CG-CZ 3.79Å; F875-F881 HydrophobicContact CG-CZ 3.79Å; F875-I905 HydrophobicContact CD1-CD1 3.91Å; F875-I905 HydrophobicContact CD1-CG1 4.22Å; F875-I905 HydrophobicContact CE1-CB 4.2Å; F875-I905 HydrophobicContact CE1-CD1 3.83Å; F875-I905 HydrophobicContact CE1-CG1 3.79Å; F875-I905 HydrophobicContact CE1-CG2 3.56Å; F875-I905 HydrophobicContact CZ-CG2 3.53Å; F875-Y909 HydrophobicContact CZ-CD1 4.47Å; F875-Y909 HydrophobicContact CZ-CG 4.43Å
876K83.8Confident78.4Confident119 Ų11974.2 Ų74.252%0.51739%0.394SS..  trans-114.3155.2-175.8-66-60-174.1-172.40112A862 D865 G878 T879A862-K876 VanDerWaalsContact CB-O 3.31Å; A862-K876 WeakPolarHBondContact CB-O 3.3Å; D865-K876 HydrophobicContact CB-CD 4.3Å; D865-K876 WeakPolarHBondContact OD1-CA 3.33Å; D865-K876 VanDerWaalsContact OD1-CD 3.28Å; D865-K876 WeakPolarHBondContact OD1-CD 3.35Å; D865-K876 WeakPolarHBondContact OD2-CD 3.18Å; D865-K876 WeakPolarHBondContact OD2-CE 3.05Å; D865-K876 IonicContact OD2-NZ 2.69Å; D865-K876 PolarHBondContact OD2-NZ 3.48Å; K876-G878 PolarHBondContact O-N 3.24Å; K876-T879 WeakPolarHBondContact O-CB 3.33Å; K876-T879 PolarHBondContact O-N 2.95Å; K876-T879 PolarHBondContact O-OG1 2.86Å; K876-T879 VanDerWaalsContact O-OG1 3.1Å
877V85.9Confident78Confident89 Ų8975 Ų7554%0.53940%0.399SS..THydrogen-bonded Turntrans-55.2132.7171.463.20000109.8D865D865-V877 PolarHBondContact OD1-N 3.37Å
878G82.1Confident77.7Confident40 Ų4072.8 Ų72.841%0.41240%0.404SS..THydrogen-bonded Turntrans88.6-8.8-174.300000115.9L861 A862 K876 V880L861-G878 VanDerWaalsContact CD1-O 3.24Å; L861-G878 WeakPolarHBondContact CD1-O 3.33Å; A862-G878 PolarHBondContact O-N 3.09Å; K876-G878 PolarHBondContact O-N 3.24Å; G878-V880 PolarHBondContact O-N 3.18Å
879T86.8Confident77.9Confident30 Ų3076 Ų7618%0.18442%0.423CS..  trans-61.8136.4169.3-60.30000110.1A862 K876 F881 N896A862-T879 PolarHBondContact N-O 3.06Å; K876-T879 WeakPolarHBondContact O-CB 3.33Å; K876-T879 PolarHBondContact O-N 2.95Å; K876-T879 PolarHBondContact O-OG1 2.86Å; K876-T879 VanDerWaalsContact O-OG1 3.1Å; T879-F881 HydrophobicContact CG2-CD2 4.16Å; T879-F881 HydrophobicContact CG2-CE1 4.18Å; T879-F881 HydrophobicContact CG2-CE2 3.44Å; T879-F881 VanDerWaalsContact CG2-CE2 3.44Å; T879-F881 HydrophobicContact CG2-CZ 3.45Å; T879-F881 VanDerWaalsContact CG2-CZ 3.45Å; T879-N896 WeakPolarHBondContact CG2-OD1 3.37Å
880V88.4Confident78.3Confident31 Ų3172 Ų7219%0.18841%0.407CS..EExtended strand (participates in β ladder)trans-100.3128.2-178.3-177.80000109.8L859 Y860 L861 G878 V897L859-V880 HydrophobicContact CD2-CG1 4.13Å; Y860-V880 WeakPolarHBondContact O-CA 3.3Å; L861-V880 HydrophobicContact CD1-CG2 3.72Å; G878-V880 PolarHBondContact O-N 3.18Å; V880-V897 HydrophobicContact CB-CB 4.46Å; V880-V897 HydrophobicContact CG1-CB 4.38Å; V880-V897 HydrophobicContact CG1-CG2 4.12Å; V880-V897 WeakPolarHBondContact O-CB 3.4Å; V880-V897 WeakPolarHBondContact O-CG2 3.31Å; V880-V897 PolarHBondContact O-N 3.29Å
881F90.1Very high79.7Confident9 Ų966.9 Ų66.94%0.03938%0.379CS..EExtended strand (participates in β ladder)trans-119135.1-178.5-70.5-77.2000111.9Y860 A862 F875 T879 C894 K895 N896 I905 L910Y860-F881 PolarHBondContact N-O 3.17Å; Y860-F881 PolarHBondContact O-N 2.81Å; A862-F881 HydrophobicContact CB-CD2 4.48Å; A862-F881 HydrophobicContact CB-CE2 4.17Å; F875-F881 HydrophobicContact CB-CE2 4.06Å; F875-F881 HydrophobicContact CB-CZ 3.66Å; F875-F881 HydrophobicContact CD1-CE2 4.39Å; F875-F881 HydrophobicContact CD1-CZ 4.11Å; F875-F881 AromaticContact CD2-CE2 3.96Å; F875-F881 HydrophobicContact CD2-CE2 3.96Å; F875-F881 HydrophobicContact CD2-CZ 4.35Å; F875-F881 AromaticContact CG-CE2 3.88Å; F875-F881 HydrophobicContact CG-CE2 3.88Å; F875-F881 AromaticContact CG-CZ 3.79Å; F875-F881 HydrophobicContact CG-CZ 3.79Å; T879-F881 HydrophobicContact CG2-CD2 4.16Å; T879-F881 HydrophobicContact CG2-CE1 4.18Å; T879-F881 HydrophobicContact CG2-CE2 3.44Å; T879-F881 VanDerWaalsContact CG2-CE2 3.44Å; T879-F881 HydrophobicContact CG2-CZ 3.45Å; T879-F881 VanDerWaalsContact CG2-CZ 3.45Å; F881-C894 HydrophobicContact CB-CB 4.14Å; F881-C894 HydrophobicContact CD1-CB 4Å; F881-C894 HydrophobicContact CG-CB 4.3Å; F881-K895 CarbonylContact C-O 3.48Å; F881-K895 VanDerWaalsContact CA-O 3.25Å; F881-K895 WeakPolarHBondContact CA-O 3.45Å; F881-N896 HydrophobicContact CD1-CB 4.22Å; F881-N896 HydrophobicContact CE1-CB 3.72Å; F881-I905 HydrophobicContact CD1-CD1 3.47Å; F881-I905 VanDerWaalsContact CD1-CD1 3.47Å; F881-I905 HydrophobicContact CD2-CD1 3.96Å; F881-I905 HydrophobicContact CE1-CD1 3.26Å; F881-I905 HydrophobicContact CE2-CD1 3.75Å; F881-I905 HydrophobicContact CG-CD1 3.83Å; F881-I905 HydrophobicContact CZ-CD1 3.41Å; F881-I905 VanDerWaalsContact CZ-CD1 3.41Å; F881-L910 HydrophobicContact CB-CD2 4.21Å; F881-L910 HydrophobicContact CD2-CD2 3.68Å; F881-L910 HydrophobicContact CE2-CD2 4.49Å; F881-L910 HydrophobicContact CG-CD2 4.23Å
882E89.2Confident81.4Confident60 Ų6060.2 Ų60.228%0.2835%0.346SS..EExtended strand (participates in β ladder)trans-89.5123.1164.8-178.2174.5-154.400108.2L859 L884 C894 K895 V897L859-E882 HydrophobicContact CD2-CB 4.29Å; E882-L884 HydrophobicContact CG-CD2 4.5Å; E882-L884 PolarHBondContact O-N 2.93Å; E882-C894 WeakPolarHBondContact O-CA 3.48Å; E882-K895 HydrophobicContact CB-CB 4.42Å; E882-K895 PolarHBondContact N-O 2.95Å; E882-K895 PolarHBondContact O-N 2.77Å; E882-V897 HydrophobicContact CB-CG2 4.07Å
883V88.2Confident82.5Confident14 Ų1461.1 Ų61.19%0.08535%0.347CS..EExtended strand (participates in β ladder)trans-89.8104.3-175179.80000110.6E858 Y860 K886 W892 L910E858-V883 PolarHBondContact O-N 2.83Å; E858-V883 VanDerWaalsContact O-N 3.14Å; Y860-V883 HydrophobicContact CD1-CG2 4.49Å; Y860-V883 HydrophobicContact CD2-CB 4.07Å; Y860-V883 HydrophobicContact CD2-CG2 3.28Å; Y860-V883 HydrophobicContact CE2-CB 4.25Å; Y860-V883 HydrophobicContact CE2-CG2 3.87Å; Y860-V883 HydrophobicContact CG-CG2 3.7Å; V883-K886 HydrophobicContact CG1-CD 4.22Å; V883-K886 HydrophobicContact CG1-CG 3.55Å; V883-W892 HydrophobicContact CG1-CB 3.91Å; V883-W892 HydrophobicContact CG1-CD2 4.29Å; V883-W892 HydrophobicContact CG1-CE3 4.09Å; V883-W892 HydrophobicContact CG1-CG 4.26Å; V883-W892 HydrophobicContact CG2-CE3 3.98Å; V883-L910 HydrophobicContact CG2-CD1 4.4Å
884L84.1Confident83.7Confident80 Ų8058.5 Ų58.542%0.41933%0.329SS..EExtended strand (participates in β ladder)trans-79.1-37.7-177.3-61.9177000112.7E882 F893 K895 E902E882-L884 HydrophobicContact CG-CD2 4.5Å; E882-L884 PolarHBondContact O-N 2.93Å; L884-F893 HydrophobicContact CB-CD1 4.1Å; L884-F893 HydrophobicContact CD1-CD1 3.99Å; L884-F893 HydrophobicContact CD1-CE1 4Å; L884-F893 PolarHBondContact N-O 3.16Å; L884-K895 HydrophobicContact CD1-CB 4.07Å; L884-K895 HydrophobicContact CG-CB 4.35Å; L884-E902 HydrophobicContact CD1-CG 4.23Å
885E84.2Confident84.1Confident73 Ų7356.5 Ų56.534%0.34131%0.31SS..EExtended strand (participates in β ladder)trans-146.3139.5177.6-172.6155.4-177.300112.7N350 W892 F893N350-E885 PolarHBondContact ND2-OE1 2.95Å; N350-E885 PolarHBondContact ND2-OE2 2.8Å; E885-W892 CarbonylContact O-C 3.58Å; E885-W892 VanDerWaalsContact O-CA 3.23Å; E885-W892 WeakPolarHBondContact O-CA 3.49Å; E885-W892 WeakPolarHBondContact O-CB 3.2Å; E885-F893 HydrophobicContact CB-CB 4.03Å; E885-F893 PolarHBondContact N-O 2.87Å; E885-F893 VanDerWaalsContact N-O 3.13Å; E885-F893 PolarHBondContact O-N 3.04Å
886K84Confident84.2Confident98 Ų9856.8 Ų56.843%0.42631%0.312SS..EExtended strand (participates in β ladder)trans-116.6112.8177.8-62.2-168175.6-164.70110.4Y860 V883 W892Y860-K886 VanDerWaalsContact CZ-NZ 3.3Å; Y860-K886 PolarHBondContact OH-NZ 3.35Å; V883-K886 HydrophobicContact CG1-CD 4.22Å; V883-K886 HydrophobicContact CG1-CG 3.55Å; K886-W892 HydrophobicContact CB-CD2 4.44Å; K886-W892 HydrophobicContact CB-CG 4.18Å; K886-W892 HydrophobicContact CD-CD2 3.91Å; K886-W892 HydrophobicContact CD-CE3 4.26Å; K886-W892 HydrophobicContact CD-CG 4.47Å; K886-W892 HydrophobicContact CD-CH2 4.24Å; K886-W892 HydrophobicContact CD-CZ2 3.84Å; K886-W892 HydrophobicContact CD-CZ3 4.43Å; K886-W892 HydrophobicContact CG-CD2 3.78Å; K886-W892 HydrophobicContact CG-CE3 4.41Å; K886-W892 HydrophobicContact CG-CG 3.81Å
887N72.4Confident84.1Confident48 Ų4855.2 Ų55.226%0.25731%0.312SS..  trans-93.4158.317177.539.8000111.8S889 G890 W891 W904N887-S889 PolarHBondContact ND2-OG 2.84Å; N887-S889 PolarHBondContact O-N 2.86Å; N887-S889 WeakPolarHBondContact OD1-CA 3.48Å; N887-S889 PolarHBondContact OD1-N 2.89Å; N887-S889 PolarHBondContact OD1-OG 2.93Å; N887-G890 PolarHBondContact OD1-N 2.86Å; N887-W891 PolarHBondContact N-O 3.15Å; N887-W891 PolarHBondContact ND2-O 2.86Å; N887-W891 PolarHBondContact OD1-N 2.72Å; N887-W891 PolarHBondContact OD1-O 2.9Å; N887-W904 WeakPolarHBondContact ND2-CZ3 3.3Å
888S71.1Confident83.6Confident134 Ų13454.2 Ų54.294%0.93732%0.32SS*.THydrogen-bonded Turntrans-81.64.5-179.959.80000114
889S74.3Confident83Confident90 Ų9058.8 Ų58.863%0.62933%0.331SS*.THydrogen-bonded Turntrans-96.710.4176.735.30000113N887N887-S889 PolarHBondContact ND2-OG 2.84Å; N887-S889 PolarHBondContact O-N 2.86Å; N887-S889 WeakPolarHBondContact OD1-CA 3.48Å; N887-S889 PolarHBondContact OD1-N 2.89Å; N887-S889 PolarHBondContact OD1-OG 2.93Å
890G79.6Confident82.2Confident25 Ų2563.2 Ų63.226%0.25835%0.353SS..SBendtrans79.119.6175.300000114.7N887 P906 S907N887-G890 PolarHBondContact OD1-N 2.86Å; G890-P906 CarbonylContact O-C 3.55Å; G890-P906 WeakPolarHBondContact O-CA 3.38Å; G890-S907 WeakPolarHBondContact CA-OG 3.22Å; G890-S907 PolarHBondContact O-N 3.38Å; G890-S907 PolarHBondContact O-OG 2.64Å
891W85.3Confident81.6Confident99 Ų9965 Ų6538%0.37536%0.364SS..EExtended strand (participates in β ladder)trans-124.4130.4172.6-70.278000109.5F866 T872 N887 W904 I905 P906F866-W891 HydrophobicContact CZ-CH2 4.27Å; T872-W891 HydrophobicContact CG2-CZ3 4.46Å; N887-W891 PolarHBondContact N-O 3.15Å; N887-W891 PolarHBondContact ND2-O 2.86Å; N887-W891 PolarHBondContact OD1-N 2.72Å; N887-W891 PolarHBondContact OD1-O 2.9Å; W891-W904 HydrophobicContact CB-CE3 4.11Å; W891-W904 HydrophobicContact CE3-CB 4.09Å; W891-I905 CarbonylContact C-O 3.5Å; W891-I905 WeakPolarHBondContact CA-O 3.38Å; W891-P906 HydrophobicContact CD2-CB 4.32Å; W891-P906 HydrophobicContact CD2-CG 4.38Å; W891-P906 HydrophobicContact CE3-CB 4.38Å; W891-P906 HydrophobicContact CE3-CG 4.04Å; W891-P906 HydrophobicContact CH2-CG 3.73Å; W891-P906 HydrophobicContact CZ2-CB 4.44Å; W891-P906 HydrophobicContact CZ2-CG 4.05Å; W891-P906 HydrophobicContact CZ3-CG 3.72Å
892W89.8Confident81.4Confident45 Ų4568.9 Ų68.917%0.1738%0.382CS..EExtended strand (participates in β ladder)trans-114.1135.4-179.7-64.2-8.7000108.8Y860 V883 E885 K886 C894 I905 L910Y860-W892 AromaticContact CD1-CZ3 3.72Å; Y860-W892 HydrophobicContact CD1-CZ3 3.72Å; Y860-W892 HydrophobicContact CE1-CH2 4.17Å; Y860-W892 AromaticContact CE1-CZ3 3.61Å; Y860-W892 HydrophobicContact CE1-CZ3 3.61Å; Y860-W892 HydrophobicContact CG-CZ3 4.5Å; V883-W892 HydrophobicContact CG1-CB 3.91Å; V883-W892 HydrophobicContact CG1-CD2 4.29Å; V883-W892 HydrophobicContact CG1-CE3 4.09Å; V883-W892 HydrophobicContact CG1-CG 4.26Å; V883-W892 HydrophobicContact CG2-CE3 3.98Å; E885-W892 CarbonylContact O-C 3.58Å; E885-W892 VanDerWaalsContact O-CA 3.23Å; E885-W892 WeakPolarHBondContact O-CA 3.49Å; E885-W892 WeakPolarHBondContact O-CB 3.2Å; K886-W892 HydrophobicContact CB-CD2 4.44Å; K886-W892 HydrophobicContact CB-CG 4.18Å; K886-W892 HydrophobicContact CD-CD2 3.91Å; K886-W892 HydrophobicContact CD-CE3 4.26Å; K886-W892 HydrophobicContact CD-CG 4.47Å; K886-W892 HydrophobicContact CD-CH2 4.24Å; K886-W892 HydrophobicContact CD-CZ2 3.84Å; K886-W892 HydrophobicContact CD-CZ3 4.43Å; K886-W892 HydrophobicContact CG-CD2 3.78Å; K886-W892 HydrophobicContact CG-CE3 4.41Å; K886-W892 HydrophobicContact CG-CG 3.81Å; W892-C894 VanDerWaalsContact C-SG 3.58Å; W892-C894 PolarHBondContact O-N 3.45Å; W892-C894 PolarHBondContact O-SG 3.35Å; W892-I905 PolarHBondContact N-O 2.82Å; W892-I905 PolarHBondContact O-N 3.38Å; W892-L910 HydrophobicContact CE3-CB 4.48Å; W892-L910 HydrophobicContact CE3-CD1 4.02Å; W892-L910 HydrophobicContact CZ3-CB 4.39Å
893F87.6Confident81.2Confident51 Ų5166.7 Ų66.722%0.22438%0.376CS..EExtended strand (participates in β ladder)trans-79120.9172.3-165.2-111.2000108L884 E885 E902 W904L884-F893 HydrophobicContact CB-CD1 4.1Å; L884-F893 HydrophobicContact CD1-CD1 3.99Å; L884-F893 HydrophobicContact CD1-CE1 4Å; L884-F893 PolarHBondContact N-O 3.16Å; E885-F893 HydrophobicContact CB-CB 4.03Å; E885-F893 PolarHBondContact N-O 2.87Å; E885-F893 VanDerWaalsContact N-O 3.13Å; E885-F893 PolarHBondContact O-N 3.04Å; F893-E902 HydrophobicContact CE1-CB 3.97Å; F893-E902 HydrophobicContact CZ-CB 3.7Å; F893-W904 HydrophobicContact CB-CD2 4.13Å; F893-W904 HydrophobicContact CB-CE3 3.96Å; F893-W904 HydrophobicContact CB-CH2 3.87Å; F893-W904 HydrophobicContact CB-CZ2 4.04Å; F893-W904 HydrophobicContact CB-CZ3 3.82Å; F893-W904 AromaticContact CD2-CD1 3.84Å; F893-W904 AromaticContact CD2-CD2 3.86Å; F893-W904 HydrophobicContact CD2-CD2 3.86Å; F893-W904 AromaticContact CD2-CE2 3.67Å; F893-W904 AromaticContact CD2-CG 3.97Å; F893-W904 HydrophobicContact CD2-CG 3.97Å; F893-W904 HydrophobicContact CD2-CZ2 4.19Å; F893-W904 AromaticContact CD2-NE1 3.64Å; F893-W904 HydrophobicContact CG-CD2 4.49Å; F893-W904 HydrophobicContact CG-CZ2 4.39Å
894C88.9Confident81Confident1 Ų170.9 Ų70.91%0.00739%0.39CS..EExtended strand (participates in β ladder)trans-134.7142.8-163-63.20000110.5F881 E882 W892 E902 G903 I905 L910F881-C894 HydrophobicContact CB-CB 4.14Å; F881-C894 HydrophobicContact CD1-CB 4Å; F881-C894 HydrophobicContact CG-CB 4.3Å; E882-C894 WeakPolarHBondContact O-CA 3.48Å; W892-C894 VanDerWaalsContact C-SG 3.58Å; W892-C894 PolarHBondContact O-N 3.45Å; W892-C894 PolarHBondContact O-SG 3.35Å; C894-E902 WeakPolarHBondContact O-CA 3.34Å; C894-G903 PolarHBondContact N-O 2.92Å; C894-G903 PolarHBondContact O-N 3.49Å; C894-I905 HydrophobicContact CB-CB 4.3Å; C894-I905 HydrophobicContact CB-CD1 3.7Å; C894-I905 HydrophobicContact CB-CG1 4.06Å; C894-L910 VanDerWaalsContact SG-CD1 3.5Å
895K85.9Confident81.1Confident41 Ų4167.4 Ų67.418%0.17837%0.372CS..EExtended strand (participates in β ladder)trans-107.1126.8176-175.9162.4-168.8145.80111.1F881 E882 L884 V897 D900 E902F881-K895 CarbonylContact C-O 3.48Å; F881-K895 VanDerWaalsContact CA-O 3.25Å; F881-K895 WeakPolarHBondContact CA-O 3.45Å; E882-K895 HydrophobicContact CB-CB 4.42Å; E882-K895 PolarHBondContact N-O 2.95Å; E882-K895 PolarHBondContact O-N 2.77Å; L884-K895 HydrophobicContact CD1-CB 4.07Å; L884-K895 HydrophobicContact CG-CB 4.35Å; K895-V897 PolarHBondContact O-N 3.32Å; K895-D900 WeakPolarHBondContact CE-O 3.47Å; K895-D900 WeakPolarHBondContact CE-OD1 3.38Å; K895-D900 IonicContact NZ-OD1 3.62Å; K895-D900 PolarHBondContact NZ-OD1 3.3Å; K895-E902 HydrophobicContact CB-CG 3.86Å; K895-E902 HydrophobicContact CD-CG 3.78Å; K895-E902 WeakPolarHBondContact CD-OE1 3.31Å; K895-E902 WeakPolarHBondContact CE-OE1 3.46Å; K895-E902 HydrophobicContact CG-CG 3.69Å; K895-E902 IonicContact NZ-OE1 2.7Å; K895-E902 PolarHBondContact NZ-OE1 3.1Å
896N85.8Confident81.1Confident15 Ų1564.6 Ų64.68%0.0836%0.36CS..EExtended strand (participates in β ladder)trans-69.7114.5172.2-172-10.2000109.4T879 F881 G898 E899 D900 V901T879-N896 WeakPolarHBondContact CG2-OD1 3.37Å; F881-N896 HydrophobicContact CD1-CB 4.22Å; F881-N896 HydrophobicContact CE1-CB 3.72Å; N896-G898 PolarHBondContact O-N 2.91Å; N896-G898 PolarHBondContact OD1-N 3.06Å; N896-E899 HydrophobicContact CB-CB 4.26Å; N896-E899 WeakPolarHBondContact ND2-CG 3.49Å; N896-E899 PolarHBondContact ND2-OE2 2.7Å; N896-E899 PolarHBondContact O-N 2.88Å; N896-D900 PolarHBondContact O-N 2.82Å; N896-V901 PolarHBondContact N-O 2.84Å
897V81.9Confident81.1Confident86 Ų8660.8 Ų60.852%0.52135%0.346SS..THydrogen-bonded Turntrans-67.8-17.4-178.9-178.30000111.9L859 V880 E882 K895L859-V897 HydrophobicContact CD2-CG2 3.93Å; V880-V897 HydrophobicContact CB-CB 4.46Å; V880-V897 HydrophobicContact CG1-CB 4.38Å; V880-V897 HydrophobicContact CG1-CG2 4.12Å; V880-V897 WeakPolarHBondContact O-CB 3.4Å; V880-V897 WeakPolarHBondContact O-CG2 3.31Å; V880-V897 PolarHBondContact O-N 3.29Å; E882-V897 HydrophobicContact CB-CG2 4.07Å; K895-V897 PolarHBondContact O-N 3.32Å
898G75.6Confident81.9Confident69 Ų6965.2 Ų65.271%0.71137%0.37SS*.THydrogen-bonded Turntrans-93.6-18.9176.500000115.9N896N896-G898 PolarHBondContact O-N 2.91Å; N896-G898 PolarHBondContact OD1-N 3.06Å
899E70Confident82.5Confident136 Ų13663 Ų6364%0.63634%0.341SS*.THydrogen-bonded Turntrans-133.4-0.6-167.7-62.8-178.3141.800114.7N896 V901N896-E899 HydrophobicContact CB-CB 4.26Å; N896-E899 WeakPolarHBondContact ND2-CG 3.49Å; N896-E899 PolarHBondContact ND2-OE2 2.7Å; N896-E899 PolarHBondContact O-N 2.88Å; E899-V901 HydrophobicContact CB-CG2 4.23Å; E899-V901 PolarHBondContact O-N 3.47Å
900D70.7Confident83Confident122 Ų12259.3 Ų59.365%0.65232%0.315SS*.  trans61.7-3.3-176.7-109.6-52.4000115.6K895 N896K895-D900 WeakPolarHBondContact CE-O 3.47Å; K895-D900 WeakPolarHBondContact CE-OD1 3.38Å; K895-D900 IonicContact NZ-OD1 3.62Å; K895-D900 PolarHBondContact NZ-OD1 3.3Å; N896-D900 PolarHBondContact O-N 2.82Å
901V75.2Confident83.3Confident69 Ų6960.3 Ų60.342%0.41832%0.317SS..  trans-69.9134.8176.4-179.30000111.2N896 E899N896-V901 PolarHBondContact N-O 2.84Å; E899-V901 HydrophobicContact CB-CG2 4.23Å; E899-V901 PolarHBondContact O-N 3.47Å
902E86.1Confident83.3Confident91 Ų9160.5 Ų60.543%0.42532%0.321SS..EExtended strand (participates in β ladder)trans-116.4135.4179.7-67.1173.1-15500110.4L884 F893 C894 K895L884-E902 HydrophobicContact CD1-CG 4.23Å; F893-E902 HydrophobicContact CE1-CB 3.97Å; F893-E902 HydrophobicContact CZ-CB 3.7Å; C894-E902 WeakPolarHBondContact O-CA 3.34Å; K895-E902 HydrophobicContact CB-CG 3.86Å; K895-E902 HydrophobicContact CD-CG 3.78Å; K895-E902 WeakPolarHBondContact CD-OE1 3.31Å; K895-E902 WeakPolarHBondContact CE-OE1 3.46Å; K895-E902 HydrophobicContact CG-CG 3.69Å; K895-E902 IonicContact NZ-OE1 2.7Å; K895-E902 PolarHBondContact NZ-OE1 3.1Å
903G83.9Confident82.6Confident14 Ų1462.5 Ų62.514%0.14433%0.331CS..EExtended strand (participates in β ladder)trans-165.6168.7-175.300000114.5C894C894-G903 PolarHBondContact N-O 2.92Å; C894-G903 PolarHBondContact O-N 3.49Å
904W85.8Confident81Confident102 Ų10269 Ų6939%0.38638%0.378SS..EExtended strand (participates in β ladder)trans-84.4124.9175.1-70.898000110.8N887 W891 F893N887-W904 WeakPolarHBondContact ND2-CZ3 3.3Å; W891-W904 HydrophobicContact CB-CE3 4.11Å; W891-W904 HydrophobicContact CE3-CB 4.09Å; F893-W904 HydrophobicContact CB-CD2 4.13Å; F893-W904 HydrophobicContact CB-CE3 3.96Å; F893-W904 HydrophobicContact CB-CH2 3.87Å; F893-W904 HydrophobicContact CB-CZ2 4.04Å; F893-W904 HydrophobicContact CB-CZ3 3.82Å; F893-W904 AromaticContact CD2-CD1 3.84Å; F893-W904 AromaticContact CD2-CD2 3.86Å; F893-W904 HydrophobicContact CD2-CD2 3.86Å; F893-W904 AromaticContact CD2-CE2 3.67Å; F893-W904 AromaticContact CD2-CG 3.97Å; F893-W904 HydrophobicContact CD2-CG 3.97Å; F893-W904 HydrophobicContact CD2-CZ2 4.19Å; F893-W904 AromaticContact CD2-NE1 3.64Å; F893-W904 HydrophobicContact CG-CD2 4.49Å; F893-W904 HydrophobicContact CG-CZ2 4.39Å
905I85.7Confident80.6Confident6 Ų672.5 Ų72.53%0.03140%0.397CS..EExtended strand (participates in β ladder)trans-121.9136.6-178.2-65-174.9000109.4F875 F881 W891 W892 C894 S907 L910F875-I905 HydrophobicContact CD1-CD1 3.91Å; F875-I905 HydrophobicContact CD1-CG1 4.22Å; F875-I905 HydrophobicContact CE1-CB 4.2Å; F875-I905 HydrophobicContact CE1-CD1 3.83Å; F875-I905 HydrophobicContact CE1-CG1 3.79Å; F875-I905 HydrophobicContact CE1-CG2 3.56Å; F875-I905 HydrophobicContact CZ-CG2 3.53Å; F881-I905 HydrophobicContact CD1-CD1 3.47Å; F881-I905 VanDerWaalsContact CD1-CD1 3.47Å; F881-I905 HydrophobicContact CD2-CD1 3.96Å; F881-I905 HydrophobicContact CE1-CD1 3.26Å; F881-I905 HydrophobicContact CE2-CD1 3.75Å; F881-I905 HydrophobicContact CG-CD1 3.83Å; F881-I905 HydrophobicContact CZ-CD1 3.41Å; F881-I905 VanDerWaalsContact CZ-CD1 3.41Å; W891-I905 CarbonylContact C-O 3.5Å; W891-I905 WeakPolarHBondContact CA-O 3.38Å; W892-I905 PolarHBondContact N-O 2.82Å; W892-I905 PolarHBondContact O-N 3.38Å; C894-I905 HydrophobicContact CB-CB 4.3Å; C894-I905 HydrophobicContact CB-CD1 3.7Å; C894-I905 HydrophobicContact CB-CG1 4.06Å; I905-S907 PolarHBondContact O-N 3.48Å; I905-L910 HydrophobicContact CB-CD1 4.17Å; I905-L910 HydrophobicContact CG2-CD1 3.65Å; I905-L910 HydrophobicContact CG2-CD2 4.08Å; I905-L910 HydrophobicContact CG2-CG 3.73Å
906P83.8Confident80.3Confident15 Ų1574.1 Ų74.110%0.09741%0.408CS..EExtended strand (participates in β ladder)trans-67.1128176.5-4.316.4000110.1F866 G890 W891 N908 Y909F866-P906 HydrophobicContact CD2-CG 4.26Å; F866-P906 HydrophobicContact CE2-CG 3.81Å; F866-P906 HydrophobicContact CZ-CG 4.27Å; G890-P906 CarbonylContact O-C 3.55Å; G890-P906 WeakPolarHBondContact O-CA 3.38Å; W891-P906 HydrophobicContact CD2-CB 4.32Å; W891-P906 HydrophobicContact CD2-CG 4.38Å; W891-P906 HydrophobicContact CE3-CB 4.38Å; W891-P906 HydrophobicContact CE3-CG 4.04Å; W891-P906 HydrophobicContact CH2-CG 3.73Å; W891-P906 HydrophobicContact CZ2-CB 4.44Å; W891-P906 HydrophobicContact CZ2-CG 4.05Å; W891-P906 HydrophobicContact CZ3-CG 3.72Å; P906-N908 PolarHBondContact O-N 3.3Å; P906-Y909 HydrophobicContact CB-CD2 3.92Å; P906-Y909 HydrophobicContact CB-CE2 4.41Å; P906-Y909 HydrophobicContact CG-CD2 4Å; P906-Y909 HydrophobicContact CG-CE2 4.34Å; P906-Y909 PolarHBondContact O-N 3.19Å
907S84.9Confident80Confident18 Ų1877.4 Ų77.413%0.12643%0.427CS..G310 helixtrans-58.4-28.1-173.8570000113.5G890 I905 Y909 L910G890-S907 WeakPolarHBondContact CA-OG 3.22Å; G890-S907 PolarHBondContact O-N 3.38Å; G890-S907 PolarHBondContact O-OG 2.64Å; I905-S907 PolarHBondContact O-N 3.48Å; S907-Y909 PolarHBondContact O-N 3Å; S907-L910 PolarHBondContact O-N 3.42Å
908N87.4Confident79.9Confident141 Ų14176.9 Ų76.975%0.75442%0.421SS*.G310 helixtrans-68.9-13.6-179.5-59.74000113P906P906-N908 PolarHBondContact O-N 3.3Å
909Y83.6Confident80.2Confident86 Ų8677.4 Ų77.434%0.33740%0.403SS..G310 helixtrans-93.3-1.8174.4-72.3-110.2000112.1A862 V863 A864 D865 F866 F875 P906 S907A862-Y909 CarbonylContact C-O 3.54Å; A862-Y909 VanDerWaalsContact CA-O 3.27Å; A862-Y909 WeakPolarHBondContact CA-O 3.34Å; V863-Y909 WeakPolarHBondContact CG2-O 3.15Å; V863-Y909 PolarHBondContact N-O 2.98Å; A864-Y909 HydrophobicContact CB-CD1 3.86Å; A864-Y909 HydrophobicContact CB-CE1 4.01Å; D865-Y909 WeakPolarHBondContact O-CE1 3.39Å; F866-Y909 HydrophobicContact CB-CD1 4.19Å; F866-Y909 HydrophobicContact CB-CE1 4.38Å; F866-Y909 HydrophobicContact CD2-CD1 4.39Å; F866-Y909 HydrophobicContact CD2-CE1 4.15Å; F875-Y909 HydrophobicContact CZ-CD1 4.47Å; F875-Y909 HydrophobicContact CZ-CG 4.43Å; P906-Y909 HydrophobicContact CB-CD2 3.92Å; P906-Y909 HydrophobicContact CB-CE2 4.41Å; P906-Y909 HydrophobicContact CG-CD2 4Å; P906-Y909 HydrophobicContact CG-CE2 4.34Å; P906-Y909 PolarHBondContact O-N 3.19Å; S907-Y909 PolarHBondContact O-N 3Å
910L86.6Confident80.9Confident14 Ų1473.5 Ų73.57%0.07339%0.387CS..EExtended strand (participates in β ladder)trans-119111.3-174-67.1176.4000112.2Y860 F881 V883 W892 C894 I905 S907Y860-L910 HydrophobicContact CD1-CB 4.38Å; F881-L910 HydrophobicContact CB-CD2 4.21Å; F881-L910 HydrophobicContact CD2-CD2 3.68Å; F881-L910 HydrophobicContact CE2-CD2 4.49Å; F881-L910 HydrophobicContact CG-CD2 4.23Å; V883-L910 HydrophobicContact CG2-CD1 4.4Å; W892-L910 HydrophobicContact CE3-CB 4.48Å; W892-L910 HydrophobicContact CE3-CD1 4.02Å; W892-L910 HydrophobicContact CZ3-CB 4.39Å; C894-L910 VanDerWaalsContact SG-CD1 3.5Å; I905-L910 HydrophobicContact CB-CD1 4.17Å; I905-L910 HydrophobicContact CG2-CD1 3.65Å; I905-L910 HydrophobicContact CG2-CD2 4.08Å; I905-L910 HydrophobicContact CG2-CG 3.73Å; S907-L910 PolarHBondContact O-N 3.42Å
911S85.9Confident81.6Confident45 Ų4570 Ų7032%0.31537%0.368SS..EExtended strand (participates in β ladder)trans-87.3145.4167.460.30000110.9Y860 L861 V863 K913Y860-S911 CarbonylContact C-O 3.58Å; Y860-S911 WeakPolarHBondContact CA-O 3.42Å; Y860-S911 VanDerWaalsContact CB-O 3.29Å; Y860-S911 WeakPolarHBondContact CB-O 3.09Å; Y860-S911 WeakPolarHBondContact CD1-O 3.29Å; L861-S911 PolarHBondContact N-O 3.23Å; L861-S911 PolarHBondContact O-N 3.17Å; L861-S911 PolarHBondContact O-OG 2.95Å; L861-S911 VanDerWaalsContact O-OG 3.07Å; V863-S911 VanDerWaalsContact CG1-CB 3.47Å; V863-S911 WeakPolarHBondContact CG1-OG 3.25Å; S911-K913 PolarHBondContact O-N 2.95Å
912K85.1Confident82.1Confident104 Ų10470.1 Ų70.145%0.45237%0.365SS..EExtended strand (participates in β ladder)trans-66.6129.8169.6-171.3-171.5175.9-1670108.7D857 Y860D857-K912 VanDerWaalsContact CA-CE 3.49Å; D857-K912 WeakPolarHBondContact O-CE 3.32Å; D857-K912 IonicContact OD1-NZ 3.22Å; D857-K912 PolarHBondContact OD1-NZ 2.64Å; Y860-K912 VanDerWaalsContact CD1-CA 3.47Å; Y860-K912 HydrophobicContact CD1-CB 4.07Å; Y860-K912 HydrophobicContact CE1-CB 3.61Å; Y860-K912 HydrophobicContact CE1-CG 4.02Å
913K73.4Confident81.8Confident87 Ų8768.3 Ų68.338%0.37836%0.36SS..PPolyproline II helixtrans-71.3125.9176.9-164.2167.8-176.1169.90109.3L859 S911L859-K913 HydrophobicContact CB-CB 4.39Å; L859-K913 VanDerWaalsContact O-CB 3.28Å; L859-K913 WeakPolarHBondContact O-CB 3.43Å; L859-K913 PolarHBondContact O-N 2.64Å; S911-K913 PolarHBondContact O-N 2.95Å
914P55.1Low81.6Confident188 Ų18873.3 Ų73.3100%1.22138%0.379SS*.  trans-75.90179.532.1-35.6000112.9

Retrieved 914 of 914 residues in 496.2 ms (Link to these results)

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