A0A2K5KX56_CERAT Loading...

Mitochondrial ribosomal protein S34

AlphaFold DB , UniProt , Accession A0A2K5KX56, Species CERAT (Cercocebus atys, Sooty mangabey), Gene MRPS34, Length 218 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
1M47.7Very low75.7Confident246 Ų246176.5 Ų176.5100%1.21284%0.844SS**  0108.20-63.1-157.1-166.100109.3R3M1-R3 PolarHBondContact O-N 3Å
2A54.6Low77.1Confident107 Ų107165.3 Ų165.388%0.88480%0.802SS**  trans-74.7120.8-176.500000110.7K4A2-K4 PolarHBondContact O-N 3.25Å; A2-K4 VanDerWaalsContact O-N 3.13Å
3R60.9Low78.4Confident246 Ų246158.2 Ų158.293%0.92877%0.767SS**  trans-59.7115.6174.4-83179.2171.7170.4-2.6109.3M1 K5M1-R3 PolarHBondContact O-N 3Å; R3-K5 PolarHBondContact O-N 3.43Å; R3-K5 VanDerWaalsContact O-N 3.11Å
4K69.8Low79.7Confident204 Ų204154.8 Ų154.889%0.88775%0.753SS**  trans-60111177.1-160.4169.4-173.9174.40109.1A2 V6A2-K4 PolarHBondContact O-N 3.25Å; A2-K4 VanDerWaalsContact O-N 3.13Å; K4-V6 PolarHBondContact O-N 3.08Å
5K73.1Confident80.7Confident209 Ų209147 Ų14791%0.90972%0.724SS**  trans-73.4113.5-174.2-154.8175.9-174.3179.40109.8R3R3-K5 PolarHBondContact O-N 3.43Å; R3-K5 VanDerWaalsContact O-N 3.11Å
6V82.3Confident81.5Confident130 Ų130146.1 Ų146.179%0.78871%0.71SS**PPolyproline II helixtrans-76.9130.4179-178.60000109.8K4K4-V6 PolarHBondContact O-N 3.08Å
7R83.4Confident82.3Confident223 Ų223148.3 Ų148.384%0.84271%0.709SS**PPolyproline II helixtrans-67.9126.1176.6-172.8177.9179.2-1780.8110.2R9R7-R9 PolarHBondContact O-N 3.26Å
8P84.8Confident83Confident99 Ų99143 Ų14364%0.64369%0.687SS**PPolyproline II helixtrans-61.4135.2178.2-22.833000112.3L10P8-L10 HydrophobicContact CB-CD2 4.3Å; P8-L10 HydrophobicContact CB-CG 4.48Å
9R88.8Confident83.5Confident204 Ų204143.4 Ų143.477%0.7768%0.681SS**  trans-106.873.1175.1-66.6-174.4176.9-177.8-1.2110.6R7 I11 A12 E13R7-R9 PolarHBondContact O-N 3.26Å; R9-I11 VanDerWaalsContact C-N 3.34Å; R9-I11 PolarHBondContact O-N 3.08Å; R9-A12 HydrophobicContact CB-CB 3.93Å; R9-A12 WeakPolarHBondContact O-CB 3.25Å; R9-A12 PolarHBondContact O-N 3.37Å; R9-A12 VanDerWaalsContact O-N 3.13Å; R9-E13 PolarHBondContact O-N 3.19Å
10L94.2Very high83.9Confident134 Ų134139.1 Ų139.170%0.70267%0.67SS**Hα-helixtrans-60.1-40-174.1-58.9176.8000113.2P8 A12 E13 L14P8-L10 HydrophobicContact CB-CD2 4.3Å; P8-L10 HydrophobicContact CB-CG 4.48Å; L10-A12 VanDerWaalsContact C-N 3.29Å; L10-A12 PolarHBondContact O-N 3.29Å; L10-E13 PolarHBondContact O-N 3.28Å; L10-L14 PolarHBondContact O-N 3.31Å
11I93.6Very high84.3Confident140 Ų140137.2 Ų137.272%0.71866%0.664SS**Hα-helixtrans-63.8-36.9178.3-60.2174.3000111.2R9 L14 A15R9-I11 VanDerWaalsContact C-N 3.34Å; R9-I11 PolarHBondContact O-N 3.08Å; I11-L14 PolarHBondContact O-N 2.84Å; I11-A15 VanDerWaalsContact O-CB 3.31Å; I11-A15 WeakPolarHBondContact O-CB 3.28Å; I11-A15 PolarHBondContact O-N 2.95Å
12A92.7Very high86.4Confident42 Ų42133.5 Ų133.535%0.34764%0.636SS.*Hα-helixtrans-66.7-39.6178.500000111.6R9 L10 R16R9-A12 HydrophobicContact CB-CB 3.93Å; R9-A12 WeakPolarHBondContact O-CB 3.25Å; R9-A12 PolarHBondContact O-N 3.37Å; R9-A12 VanDerWaalsContact O-N 3.13Å; L10-A12 VanDerWaalsContact C-N 3.29Å; L10-A12 PolarHBondContact O-N 3.29Å; A12-R16 WeakPolarHBondContact O-CB 3.16Å; A12-R16 PolarHBondContact O-N 3.42Å
13E93.7Very high88.1Confident73 Ų73133.8 Ų133.834%0.34162%0.619SS.*Hα-helixtrans-65.2-45.4174.2-67.5-58.1134.800111.7R9 L10 R16 R17R9-E13 PolarHBondContact O-N 3.19Å; L10-E13 PolarHBondContact O-N 3.28Å; E13-R16 PolarHBondContact O-N 2.69Å; E13-R16 IonicContact OE1-CZ 2.75Å; E13-R16 IonicContact OE1-NH1 3.76Å; E13-R16 PolarHBondContact OE1-NH1 3.15Å; E13-R16 IonicContact OE1-NH2 2.84Å; E13-R16 PolarHBondContact OE1-NH2 2.97Å; E13-R16 IonicContact OE2-CZ 2.92Å; E13-R16 IonicContact OE2-NH1 3.28Å; E13-R16 PolarHBondContact OE2-NH1 3.23Å; E13-R16 IonicContact OE2-NH2 2.79Å; E13-R17 WeakPolarHBondContact O-CG 3.32Å; E13-R17 PolarHBondContact O-N 2.62Å
14L95.8Very high89.4Confident110 Ų110130.2 Ų130.258%0.57661%0.61SS**Hα-helixtrans-59.8-50.6176.6-179.762.4000111.2L10 I11 R16 R17 V18L10-L14 PolarHBondContact O-N 3.31Å; I11-L14 PolarHBondContact O-N 2.84Å; L14-R16 VanDerWaalsContact C-N 3.28Å; L14-R16 PolarHBondContact O-N 3.01Å; L14-R17 PolarHBondContact O-N 3.23Å; L14-V18 HydrophobicContact CD1-CG2 4.12Å; L14-V18 HydrophobicContact CG-CG2 4.4Å; L14-V18 WeakPolarHBondContact O-CG2 3.47Å; L14-V18 PolarHBondContact O-N 3.16Å
15A94.6Very high90.4Very high38 Ų38126.3 Ų126.331%0.31460%0.598SS.*Hα-helixtrans-60.9-36.6178.600000112.1I11 R19I11-A15 VanDerWaalsContact O-CB 3.31Å; I11-A15 WeakPolarHBondContact O-CB 3.28Å; I11-A15 PolarHBondContact O-N 2.95Å; A15-R19 WeakPolarHBondContact O-CB 2.91Å; A15-R19 VanDerWaalsContact O-CG 3.29Å; A15-R19 WeakPolarHBondContact O-CG 3.49Å; A15-R19 PolarHBondContact O-N 3.38Å; A15-R19 PolarHBondContact O-NE 3.41Å
16R94.2Very high91.1Very high132 Ų132122.5 Ų122.550%0.49859%0.588SS.*Hα-helixtrans-62.2-48.3174.4-166.7-172.4-55.6132.611.7111.4A12 E13 L14 R19 A20A12-R16 WeakPolarHBondContact O-CB 3.16Å; A12-R16 PolarHBondContact O-N 3.42Å; E13-R16 PolarHBondContact O-N 2.69Å; E13-R16 IonicContact OE1-CZ 2.75Å; E13-R16 IonicContact OE1-NH1 3.76Å; E13-R16 PolarHBondContact OE1-NH1 3.15Å; E13-R16 IonicContact OE1-NH2 2.84Å; E13-R16 PolarHBondContact OE1-NH2 2.97Å; E13-R16 IonicContact OE2-CZ 2.92Å; E13-R16 IonicContact OE2-NH1 3.28Å; E13-R16 PolarHBondContact OE2-NH1 3.23Å; E13-R16 IonicContact OE2-NH2 2.79Å; L14-R16 VanDerWaalsContact C-N 3.28Å; L14-R16 PolarHBondContact O-N 3.01Å; R16-R19 PolarHBondContact O-N 3.43Å; R16-A20 PolarHBondContact O-N 2.87Å
17R95.3Very high91.3Very high184 Ų184122.1 Ų122.169%0.69457%0.572SS**Hα-helixtrans-63.8-45.3179.4-68.6176.3-174.6-167.90.3112E13 L14 R19 A20 L21E13-R17 WeakPolarHBondContact O-CG 3.32Å; E13-R17 PolarHBondContact O-N 2.62Å; L14-R17 PolarHBondContact O-N 3.23Å; R17-R19 PolarHBondContact O-N 3.01Å; R17-A20 PolarHBondContact O-N 3.35Å; R17-L21 WeakPolarHBondContact O-CB 3.19Å; R17-L21 PolarHBondContact O-N 3.23Å
18V94.9Very high91.6Very high53 Ų53112.3 Ų112.332%0.32154%0.538SS..Hα-helixtrans-64-41.8179173.50000111.3L14 L21 R22L14-V18 HydrophobicContact CD1-CG2 4.12Å; L14-V18 HydrophobicContact CG-CG2 4.4Å; L14-V18 WeakPolarHBondContact O-CG2 3.47Å; L14-V18 PolarHBondContact O-N 3.16Å; V18-L21 PolarHBondContact O-N 3.48Å; V18-R22 HydrophobicContact CG1-CG 4.49Å; V18-R22 WeakPolarHBondContact O-CG 3.31Å; V18-R22 PolarHBondContact O-N 2.78Å
19R91.6Very high91.9Very high151 Ų151112.4 Ų112.457%0.5753%0.525SS*.Hα-helixtrans-61.7-47.8175.1-77.1-175.3-64.6-142.31.7111.9A15 R16 R17 L21 R22 E23A15-R19 WeakPolarHBondContact O-CB 2.91Å; A15-R19 VanDerWaalsContact O-CG 3.29Å; A15-R19 WeakPolarHBondContact O-CG 3.49Å; A15-R19 PolarHBondContact O-N 3.38Å; A15-R19 PolarHBondContact O-NE 3.41Å; R16-R19 PolarHBondContact O-N 3.43Å; R17-R19 PolarHBondContact O-N 3.01Å; R19-L21 VanDerWaalsContact C-N 3.29Å; R19-L21 PolarHBondContact O-N 2.98Å; R19-R22 PolarHBondContact O-N 3.35Å; R19-E23 WeakPolarHBondContact O-CB 3.48Å; R19-E23 WeakPolarHBondContact O-CG 3.36Å; R19-E23 PolarHBondContact O-N 3.11Å
20A91.3Very high92Very high56 Ų56103.5 Ų103.546%0.46349%0.493SS..Hα-helixtrans-60.3-39.4177.700000112.4R16 R17 E23 K24R16-A20 PolarHBondContact O-N 2.87Å; R17-A20 PolarHBondContact O-N 3.35Å; A20-E23 PolarHBondContact O-N 2.97Å; A20-K24 PolarHBondContact O-N 3.1Å; A20-K24 VanDerWaalsContact O-N 3.08Å
21L93.9Very high91.9Very high101 Ų10198.2 Ų98.253%0.52947%0.467SS..Hα-helixtrans-63.5-47.4175.4-178.764.2000111.7R17 V18 R19 K24 L25R17-L21 WeakPolarHBondContact O-CB 3.19Å; R17-L21 PolarHBondContact O-N 3.23Å; V18-L21 PolarHBondContact O-N 3.48Å; R19-L21 VanDerWaalsContact C-N 3.29Å; R19-L21 PolarHBondContact O-N 2.98Å; L21-K24 PolarHBondContact O-N 2.86Å; L21-L25 HydrophobicContact CD1-CD1 3.9Å; L21-L25 HydrophobicContact CD1-CG 4.16Å; L21-L25 HydrophobicContact CG-CD1 3.9Å; L21-L25 HydrophobicContact CG-CG 4.46Å; L21-L25 WeakPolarHBondContact O-CG 3.37Å; L21-L25 PolarHBondContact O-N 3.37Å
22R91.3Very high91.8Very high168 Ų16896.2 Ų96.263%0.63446%0.455SS*.Hα-helixtrans-63.8-40.9177.4-72.2178.6-178.5-177.30.4112V18 R19 K24 L25 N26V18-R22 HydrophobicContact CG1-CG 4.49Å; V18-R22 WeakPolarHBondContact O-CG 3.31Å; V18-R22 PolarHBondContact O-N 2.78Å; R19-R22 PolarHBondContact O-N 3.35Å; R22-K24 PolarHBondContact O-N 2.82Å; R22-L25 PolarHBondContact O-N 3.25Å; R22-N26 WeakPolarHBondContact O-CB 3.3Å; R22-N26 PolarHBondContact O-N 3.35Å
23E89.2Confident91.8Very high112 Ų11294.8 Ų94.852%0.52344%0.441SS..Hα-helixtrans-60-34.7174.7-76.1-179.8178.300111.9R19 A20 R27 K214R19-E23 WeakPolarHBondContact O-CB 3.48Å; R19-E23 WeakPolarHBondContact O-CG 3.36Å; R19-E23 PolarHBondContact O-N 3.11Å; A20-E23 PolarHBondContact O-N 2.97Å; E23-R27 WeakPolarHBondContact O-CB 3.48Å; E23-K214 IonicContact OE1-NZ 3.39Å
24K89.1Confident91.7Very high172 Ų17293.5 Ų93.575%0.74843%0.433SS*.Hα-helixtrans-76.2-46.4177.4-171.6178-179.3-178.80112.6A20 L21 R22A20-K24 PolarHBondContact O-N 3.1Å; A20-K24 VanDerWaalsContact O-N 3.08Å; L21-K24 PolarHBondContact O-N 2.86Å; R22-K24 PolarHBondContact O-N 2.82Å
25L90.1Very high91.6Very high122 Ų12289.5 Ų89.564%0.63942%0.417SS*.Hα-helixtrans-73.5-46.3-176.1-68.6176000112.1L21 R22 R27L21-L25 HydrophobicContact CD1-CD1 3.9Å; L21-L25 HydrophobicContact CD1-CG 4.16Å; L21-L25 HydrophobicContact CG-CD1 3.9Å; L21-L25 HydrophobicContact CG-CG 4.46Å; L21-L25 WeakPolarHBondContact O-CG 3.37Å; L21-L25 PolarHBondContact O-N 3.37Å; R22-L25 PolarHBondContact O-N 3.25Å; L25-R27 VanDerWaalsContact C-N 3.26Å; L25-R27 PolarHBondContact O-N 3.09Å
26N88.2Confident91.6Very high128 Ų12888.5 Ų88.568%0.68441%0.406SS*.THydrogen-bonded Turntrans-95.728.5-177.3-59.3-15.5000111.5R22 P28R22-N26 WeakPolarHBondContact O-CB 3.3Å; R22-N26 PolarHBondContact O-N 3.35Å; N26-P28 WeakPolarHBondContact O-CD 3.42Å
27R86.6Confident91.7Very high122 Ų12284.9 Ų84.946%0.4640%0.397SS..PPolyproline II helixtrans-62.8122.3179.6-171.8178.9-176.4177.25.2109E23 L25E23-R27 WeakPolarHBondContact O-CB 3.48Å; L25-R27 VanDerWaalsContact C-N 3.26Å; L25-R27 PolarHBondContact O-N 3.09Å
28P90.3Very high91.6Very high18 Ų1880.6 Ų80.612%0.11738%0.381CS..PPolyproline II helixtrans-64.6140.2177.827.5-35000109.6N26 L33 F45 R212N26-P28 WeakPolarHBondContact O-CD 3.42Å; P28-L33 HydrophobicContact CB-CD2 4.03Å; P28-L33 HydrophobicContact CB-CG 4.04Å; P28-L33 HydrophobicContact CG-CD1 4.2Å; P28-L33 HydrophobicContact CG-CD2 3.75Å; P28-L33 HydrophobicContact CG-CG 4.03Å; P28-F45 HydrophobicContact CB-CE2 3.79Å; P28-F45 HydrophobicContact CB-CZ 3.84Å; P28-F45 HydrophobicContact CG-CE2 4.45Å; P28-F45 HydrophobicContact CG-CZ 4Å; P28-R212 PolarHBondContact O-NH2 3.35Å
29R91.4Very high91.6Very high101 Ų10186 Ų8638%0.38140%0.403SS..PPolyproline II helixtrans-78.4167.8-177.1-62.3-68.4172.6170.30.3111.5S31 Q32 L33 D103 Y104 T105R29-S31 VanDerWaalsContact C-N 3.28Å; R29-Q32 VanDerWaalsContact N-OE1 3.13Å; R29-Q32 PolarHBondContact O-N 2.91Å; R29-L33 WeakPolarHBondContact O-CG 3.31Å; R29-L33 PolarHBondContact O-N 3.31Å; R29-D103 WeakPolarHBondContact CB-OD2 3.4Å; R29-Y104 PolarHBondContact NH1-OH 3.37Å; R29-T105 WeakPolarHBondContact CB-OG1 3.5Å; R29-T105 HydrophobicContact CG-CG2 3.95Å
30D90.9Very high91.7Very high17 Ų1781.6 Ų81.69%0.09139%0.393CS..Hα-helixtrans-70-34.7-176.8-69.2-4.6000110.1Q32 L33 Y34 D103 H111 R212D30-Q32 VanDerWaalsContact C-N 3.31Å; D30-Q32 PolarHBondContact O-N 3.08Å; D30-L33 PolarHBondContact O-N 3.38Å; D30-Y34 HydrophobicContact CB-CD2 3.89Å; D30-Y34 HydrophobicContact CB-CE2 4.13Å; D30-Y34 WeakPolarHBondContact O-CB 3.18Å; D30-Y34 VanDerWaalsContact O-CD2 3.3Å; D30-Y34 WeakPolarHBondContact O-CD2 3.43Å; D30-Y34 PolarHBondContact O-N 3.26Å; D30-D103 HydrophobicContact CB-CB 4.47Å; D30-D103 PolarHBondContact N-OD2 2.87Å; D30-H111 HydrophobicContact CB-CB 4.08Å; D30-R212 IonicContact OD1-CZ 3.59Å; D30-R212 IonicContact OD1-NE 3.9Å; D30-R212 IonicContact OD1-NH1 3.66Å; D30-R212 PolarHBondContact OD1-NH1 3.44Å; D30-R212 IonicContact OD1-NH2 2.72Å; D30-R212 PolarHBondContact OD1-NH2 3.03Å
31S91.6Very high91.8Very high23 Ų2379 Ų7916%0.16137%0.371CS..Hα-helixtrans-52.5-45.116958.30000113.3R29 A35 D103 T105R29-S31 VanDerWaalsContact C-N 3.28Å; S31-A35 WeakPolarHBondContact O-CB 3.27Å; S31-A35 PolarHBondContact O-N 2.88Å; S31-D103 PolarHBondContact N-OD2 3.19Å; S31-D103 PolarHBondContact OG-OD2 2.83Å; S31-T105 PolarHBondContact OG-OG1 2.85Å; S31-T105 VanDerWaalsContact OG-OG1 3.1Å
32Q91.7Very high91.9Very high97 Ų9775.6 Ų75.645%0.45336%0.355SS..Hα-helixtrans-73.7-49.9-179.9-64.5169.8-14.200111.6R29 D30 Y34 F45R29-Q32 VanDerWaalsContact N-OE1 3.13Å; R29-Q32 PolarHBondContact O-N 2.91Å; D30-Q32 VanDerWaalsContact C-N 3.31Å; D30-Q32 PolarHBondContact O-N 3.08Å; Q32-Y34 VanDerWaalsContact C-N 3.35Å; Q32-Y34 PolarHBondContact O-N 3.03Å; Q32-F45 HydrophobicContact CB-CD2 4.23Å; Q32-F45 VanDerWaalsContact O-CB 3.29Å; Q32-F45 WeakPolarHBondContact O-CB 3.33Å
33L91.4Very high92Very high12 Ų1270 Ų706%0.06333%0.334CS..Hα-helixtrans-63.9-40.6-176.3-72.5174.2000112.5P28 R29 D30 F45 R212P28-L33 HydrophobicContact CB-CD2 4.03Å; P28-L33 HydrophobicContact CB-CG 4.04Å; P28-L33 HydrophobicContact CG-CD1 4.2Å; P28-L33 HydrophobicContact CG-CD2 3.75Å; P28-L33 HydrophobicContact CG-CG 4.03Å; R29-L33 WeakPolarHBondContact O-CG 3.31Å; R29-L33 PolarHBondContact O-N 3.31Å; D30-L33 PolarHBondContact O-N 3.38Å; L33-F45 HydrophobicContact CD2-CD1 3.8Å; L33-F45 HydrophobicContact CD2-CE1 3.56Å; L33-F45 HydrophobicContact CD2-CG 4.44Å; L33-F45 HydrophobicContact CD2-CZ 3.97Å; L33-R212 HydrophobicContact CD1-CG 4.39Å
34Y93.3Very high92.2Very high46 Ų4668.3 Ų68.318%0.1833%0.332CS..Hα-helixtrans-105.26.6-170-54.2-57.8000114D30 Q32 R43 R63 M135D30-Y34 HydrophobicContact CB-CD2 3.89Å; D30-Y34 HydrophobicContact CB-CE2 4.13Å; D30-Y34 WeakPolarHBondContact O-CB 3.18Å; D30-Y34 VanDerWaalsContact O-CD2 3.3Å; D30-Y34 WeakPolarHBondContact O-CD2 3.43Å; D30-Y34 PolarHBondContact O-N 3.26Å; Q32-Y34 VanDerWaalsContact C-N 3.35Å; Q32-Y34 PolarHBondContact O-N 3.03Å; Y34-R43 VanDerWaalsContact CA-NH1 3.26Å; Y34-R43 PolarHBondContact O-NH1 2.83Å; Y34-R63 PolarHBondContact O-NH2 2.92Å; Y34-M135 HydrophobicContact CD1-CB 4.21Å; Y34-M135 HydrophobicContact CD1-CE 4.18Å; Y34-M135 HydrophobicContact CD1-CG 3.8Å; Y34-M135 HydrophobicContact CD2-CB 4.16Å; Y34-M135 HydrophobicContact CD2-CE 4.37Å; Y34-M135 HydrophobicContact CD2-CG 4.49Å; Y34-M135 HydrophobicContact CE1-CE 3.59Å; Y34-M135 HydrophobicContact CE1-CG 4.15Å; Y34-M135 HydrophobicContact CE2-CE 3.82Å; Y34-M135 HydrophobicContact CG-CB 3.85Å; Y34-M135 HydrophobicContact CG-CG 3.98Å
35A93.1Very high92.3Very high27 Ų2761.8 Ų61.822%0.22330%0.304CS..  trans-51.7146.6165.700000110.9S31 R43 P44S31-A35 WeakPolarHBondContact O-CB 3.27Å; S31-A35 PolarHBondContact O-N 2.88Å; A35-R43 PolarHBondContact O-NH1 3.24Å; A35-P44 HydrophobicContact CB-CG 3.9Å
36V94.7Very high92.3Very high16 Ų1657.7 Ų57.710%0.09729%0.286CS..  trans-139.4135.1175.270.90000108Y38 T42 L50 V58V36-Y38 HydrophobicContact CG1-CD1 4.13Å; V36-Y38 HydrophobicContact CG1-CD2 4.2Å; V36-Y38 HydrophobicContact CG1-CE1 3.67Å; V36-Y38 HydrophobicContact CG1-CE2 3.75Å; V36-Y38 HydrophobicContact CG1-CG 4.38Å; V36-Y38 VanDerWaalsContact CG1-CZ 3.45Å; V36-T42 WeakPolarHBondContact CA-O 3.43Å; V36-L50 HydrophobicContact CG2-CD1 3.66Å; V36-L50 HydrophobicContact CG2-CG 4.45Å; V36-V58 HydrophobicContact CG1-CG1 4.48Å; V36-V58 HydrophobicContact CG2-CG1 4.43Å
37D94.9Very high92.5Very high56 Ų5654.2 Ų54.230%0.29928%0.28SS..BIsolated β-bridgetrans-83.9119163.6172.610.4000108.5E39 T40 L41 T42D37-E39 VanDerWaalsContact C-N 3.31Å; D37-E39 PolarHBondContact O-N 2.87Å; D37-E39 PolarHBondContact OD1-N 2.92Å; D37-T40 VanDerWaalsContact CG-OG1 3.28Å; D37-T40 WeakPolarHBondContact OD2-CB 3.11Å; D37-T40 VanDerWaalsContact OD2-CG2 3.23Å; D37-T40 WeakPolarHBondContact OD2-CG2 2.91Å; D37-T40 PolarHBondContact OD2-OG1 2.87Å; D37-L41 WeakPolarHBondContact O-CA 3.32Å; D37-L41 PolarHBondContact O-N 2.92Å; D37-T42 PolarHBondContact N-O 3.43Å
38Y94Very high92.8Very high95 Ų9557.5 Ų57.537%0.37329%0.292SS..THydrogen-bonded Turntrans-75.8-18.5-174.9-67.6-84.3000113.4V36 V58 H137V36-Y38 HydrophobicContact CG1-CD1 4.13Å; V36-Y38 HydrophobicContact CG1-CD2 4.2Å; V36-Y38 HydrophobicContact CG1-CE1 3.67Å; V36-Y38 HydrophobicContact CG1-CE2 3.75Å; V36-Y38 HydrophobicContact CG1-CG 4.38Å; V36-Y38 VanDerWaalsContact CG1-CZ 3.45Å; Y38-V58 HydrophobicContact CD1-CG1 4.03Å; Y38-V58 HydrophobicContact CE1-CG1 3.98Å; Y38-V58 WeakPolarHBondContact CE1-O 3.4Å; Y38-H137 AromaticContact CE1-NE2 3.53Å; Y38-H137 AromaticContact CZ-NE2 3.73Å; Y38-H137 PolarHBondContact OH-NE2 3.48Å; Y38-H137 VanDerWaalsContact OH-NE2 3.08Å
39E94.4Very high93Very high166 Ų16664.2 Ų64.278%0.77632%0.315SS*.THydrogen-bonded Turntrans-78.2-57176.5-62.5-175.4177.800110.1D37D37-E39 VanDerWaalsContact C-N 3.31Å; D37-E39 PolarHBondContact O-N 2.87Å; D37-E39 PolarHBondContact OD1-N 2.92Å
40T94.1Very high93.1Very high58 Ų5860.5 Ų60.536%0.35630%0.303SS..THydrogen-bonded Turntrans-85-16-176.466.90000114D37 T42 R49D37-T40 VanDerWaalsContact CG-OG1 3.28Å; D37-T40 WeakPolarHBondContact OD2-CB 3.11Å; D37-T40 VanDerWaalsContact OD2-CG2 3.23Å; D37-T40 WeakPolarHBondContact OD2-CG2 2.91Å; D37-T40 PolarHBondContact OD2-OG1 2.87Å; T40-T42 VanDerWaalsContact C-N 3.31Å; T40-T42 WeakPolarHBondContact OG1-CG2 3.41Å; T40-T42 PolarHBondContact OG1-OG1 2.95Å; T40-R49 PolarHBondContact O-NH2 3.38Å
41L94.8Very high93.4Very high2 Ų264 Ų641%0.0133%0.326CS..THydrogen-bonded Turntrans56.843.3-173.5-62.1172.7000112.3D37 L50 W55 V58D37-L41 WeakPolarHBondContact O-CA 3.32Å; D37-L41 PolarHBondContact O-N 2.92Å; L41-L50 PolarHBondContact O-N 3.08Å; L41-W55 HydrophobicContact CD1-CB 3.53Å; L41-W55 HydrophobicContact CD1-CD2 3.42Å; L41-W55 VanDerWaalsContact CD1-CD2 3.42Å; L41-W55 HydrophobicContact CD1-CE3 3.9Å; L41-W55 HydrophobicContact CD1-CG 3.26Å; L41-W55 HydrophobicContact CG-CG 4.5Å; L41-V58 HydrophobicContact CD2-CB 4.41Å; L41-V58 HydrophobicContact CD2-CG1 3.76Å
42T94.8Very high93.5Very high29 Ų2968 Ų6818%0.17835%0.349CS..EExtended strand (participates in β ladder)trans-117.6153.4179.269.40000111.9V36 D37 T40 P44 R48 R49V36-T42 WeakPolarHBondContact CA-O 3.43Å; D37-T42 PolarHBondContact N-O 3.43Å; T40-T42 VanDerWaalsContact C-N 3.31Å; T40-T42 WeakPolarHBondContact OG1-CG2 3.41Å; T40-T42 PolarHBondContact OG1-OG1 2.95Å; T42-P44 WeakPolarHBondContact O-CD 2.95Å; T42-R48 WeakPolarHBondContact CA-O 3.46Å; T42-R49 HydrophobicContact CG2-CB 4.28Å; T42-R49 HydrophobicContact CG2-CG 3.68Å
43R93.7Very high93.7Very high52 Ų5274.6 Ų74.620%0.19637%0.37CS..EExtended strand (participates in β ladder)trans-91.8109.4172.3-64.6-167.6175.4-74.23109Y34 A35 F45 S46 G47 R48 L50Y34-R43 VanDerWaalsContact CA-NH1 3.26Å; Y34-R43 PolarHBondContact O-NH1 2.83Å; A35-R43 PolarHBondContact O-NH1 3.24Å; R43-F45 PolarHBondContact O-N 2.75Å; R43-S46 PolarHBondContact O-N 3.31Å; R43-S46 PolarHBondContact O-OG 2.92Å; R43-G47 PolarHBondContact O-N 2.74Å; R43-R48 PolarHBondContact N-O 3.13Å; R43-L50 HydrophobicContact CG-CD2 4.17Å
44P92.9Very high93.8Very high76 Ų7675.6 Ų75.649%0.49438%0.38SS..THydrogen-bonded Turntrans-59-36.6-173.222.7-33.3000112A35 T42 S46A35-P44 HydrophobicContact CB-CG 3.9Å; T42-P44 WeakPolarHBondContact O-CD 2.95Å; P44-S46 PolarHBondContact O-N 2.78Å; P44-S46 VanDerWaalsContact O-N 3.16Å
45F91.1Very high93.9Very high35 Ų3577 Ų7715%0.15439%0.385CS..THydrogen-bonded Turntrans-60.2-27.5179.4-177.1-87.9000114.7P28 Q32 L33 R43 P217 V218P28-F45 HydrophobicContact CB-CE2 3.79Å; P28-F45 HydrophobicContact CB-CZ 3.84Å; P28-F45 HydrophobicContact CG-CE2 4.45Å; P28-F45 HydrophobicContact CG-CZ 4Å; Q32-F45 HydrophobicContact CB-CD2 4.23Å; Q32-F45 VanDerWaalsContact O-CB 3.29Å; Q32-F45 WeakPolarHBondContact O-CB 3.33Å; L33-F45 HydrophobicContact CD2-CD1 3.8Å; L33-F45 HydrophobicContact CD2-CE1 3.56Å; L33-F45 HydrophobicContact CD2-CG 4.44Å; L33-F45 HydrophobicContact CD2-CZ 3.97Å; R43-F45 PolarHBondContact O-N 2.75Å; F45-P217 HydrophobicContact CD2-CB 4.29Å; F45-P217 HydrophobicContact CE2-CB 3.87Å; F45-P217 HydrophobicContact CZ-CB 4.18Å; F45-P217 WeakPolarHBondContact O-CA 3.49Å; F45-V218 PolarHBondContact O-N 3.49Å
46S90.6Very high94Very high36 Ų3678.2 Ų78.225%0.25240%0.395SS..THydrogen-bonded Turntrans-123.1-6.9-175.164.30000114.2R43 P44 R48R43-S46 PolarHBondContact O-N 3.31Å; R43-S46 PolarHBondContact O-OG 2.92Å; P44-S46 PolarHBondContact O-N 2.78Å; P44-S46 VanDerWaalsContact O-N 3.16Å; S46-R48 PolarHBondContact O-N 3.4Å; S46-R48 VanDerWaalsContact O-N 3.11Å; S46-R48 PolarHBondContact OG-N 3.13Å
47G91.8Very high94Very high54 Ų5479.4 Ų79.456%0.55740%0.401SS*.THydrogen-bonded Turntrans62.86.7-169.900000115.4R43R43-G47 PolarHBondContact O-N 2.74Å
48R92.9Very high94.1Very high191 Ų19177.2 Ų77.272%0.72139%0.39SS*.EExtended strand (participates in β ladder)trans-84.9134.8-175.2-64.6-173.3-179.2-167.6-0.7112T42 R43 S46T42-R48 WeakPolarHBondContact CA-O 3.46Å; R43-R48 PolarHBondContact N-O 3.13Å; S46-R48 PolarHBondContact O-N 3.4Å; S46-R48 VanDerWaalsContact O-N 3.11Å; S46-R48 PolarHBondContact OG-N 3.13Å
49R94.3Very high94.1Very high159 Ų15980.2 Ų80.260%0.640%0.4SS*.EExtended strand (participates in β ladder)trans-76.2145.7171.8-49.9-160.267.4171.1-0.6111.1T40 T42T40-R49 PolarHBondContact O-NH2 3.38Å; T42-R49 HydrophobicContact CG2-CB 4.28Å; T42-R49 HydrophobicContact CG2-CG 3.68Å
50L95.1Very high94.1Very high24 Ų2482.2 Ų82.213%0.12640%0.401CS..PPolyproline II helixtrans-73.2152.6172.1-63.3-176.6000111.1V36 L41 R43 W55 V58V36-L50 HydrophobicContact CG2-CD1 3.66Å; V36-L50 HydrophobicContact CG2-CG 4.45Å; L41-L50 PolarHBondContact O-N 3.08Å; R43-L50 HydrophobicContact CG-CD2 4.17Å; L50-W55 PolarHBondContact O-NE1 3.4Å; L50-V58 HydrophobicContact CD1-CG1 4.33Å; L50-V58 HydrophobicContact CD1-CG2 3.83Å
51P95.7Very high94.2Very high90 Ų9080.9 Ų80.958%0.58439%0.391SS*.PPolyproline II helixtrans-63.4141.3175.727.1-34.7000111.1R53 A54 W55P51-R53 PolarHBondContact O-N 2.96Å; P51-R53 VanDerWaalsContact O-N 3.13Å; P51-A54 HydrophobicContact CG-CB 4.07Å; P51-A54 WeakPolarHBondContact O-CB 3.24Å; P51-A54 PolarHBondContact O-N 3.39Å; P51-W55 PolarHBondContact O-NE1 3.31Å
52V95Very high94.3Very high106 Ų10682.5 Ų82.564%0.64240%0.402SS*.G310 helixtrans-54.5-37.9-173.7-179.30000112.7A54 W55V52-A54 PolarHBondContact O-N 3.12Å; V52-W55 HydrophobicContact CG1-CD2 4.45Å; V52-W55 HydrophobicContact CG1-CE3 4.39Å; V52-W55 HydrophobicContact CG2-CH2 4.33Å; V52-W55 HydrophobicContact CG2-CZ2 4.05Å; V52-W55 WeakPolarHBondContact O-CB 3.23Å; V52-W55 PolarHBondContact O-N 3.21Å; V52-W55 VanDerWaalsContact O-N 3.15Å
53R94.4Very high94.3Very high237 Ų23781.5 Ų81.589%0.89440%0.395SS*.G310 helixtrans-61.3-27.3178.9-67.8-175.2178-179.6-1.3113.6P51P51-R53 PolarHBondContact O-N 2.96Å; P51-R53 VanDerWaalsContact O-N 3.13Å
54A94.6Very high94.5Very high32 Ų3279 Ų7926%0.26439%0.386SS..G310 helixtrans-85.7-10.7-179.400000113.2P51 V52 A56 D57 V58P51-A54 HydrophobicContact CG-CB 4.07Å; P51-A54 WeakPolarHBondContact O-CB 3.24Å; P51-A54 PolarHBondContact O-N 3.39Å; V52-A54 PolarHBondContact O-N 3.12Å; A54-A56 PolarHBondContact O-N 3.25Å; A54-D57 PolarHBondContact O-N 3.49Å; A54-V58 HydrophobicContact CB-CG2 4.45Å; A54-V58 WeakPolarHBondContact O-CB 3.45Å; A54-V58 WeakPolarHBondContact O-CG2 3.4Å; A54-V58 PolarHBondContact O-N 3Å
55W94.9Very high94.6Very high75 Ų7575.4 Ų75.428%0.28436%0.362SS..Hα-helixtrans-63.3-39.4-171-69.67.2000113.3L41 L50 P51 V52 R59L41-W55 HydrophobicContact CD1-CB 3.53Å; L41-W55 HydrophobicContact CD1-CD2 3.42Å; L41-W55 VanDerWaalsContact CD1-CD2 3.42Å; L41-W55 HydrophobicContact CD1-CE3 3.9Å; L41-W55 HydrophobicContact CD1-CG 3.26Å; L41-W55 HydrophobicContact CG-CG 4.5Å; L50-W55 PolarHBondContact O-NE1 3.4Å; P51-W55 PolarHBondContact O-NE1 3.31Å; V52-W55 HydrophobicContact CG1-CD2 4.45Å; V52-W55 HydrophobicContact CG1-CE3 4.39Å; V52-W55 HydrophobicContact CG2-CH2 4.33Å; V52-W55 HydrophobicContact CG2-CZ2 4.05Å; V52-W55 WeakPolarHBondContact O-CB 3.23Å; V52-W55 PolarHBondContact O-N 3.21Å; V52-W55 VanDerWaalsContact O-N 3.15Å; W55-R59 WeakPolarHBondContact O-CG 3.45Å; W55-R59 PolarHBondContact O-N 3.46Å
56A95.4Very high94.8Very high54 Ų5476.2 Ų76.245%0.44637%0.366SS..Hα-helixtrans-65.4-46.5179.200000111.4A54 R59 R60A54-A56 PolarHBondContact O-N 3.25Å; A56-R59 PolarHBondContact O-N 3.08Å; A56-R60 WeakPolarHBondContact O-CG 3.38Å; A56-R60 PolarHBondContact O-N 2.69Å
57D95.6Very high95Very high40 Ų4075.4 Ų75.421%0.21436%0.359CS..Hα-helixtrans-69.3-38.6-178.2-63.6-27.9000110.8A54 R59 R60 E61 K83 H137A54-D57 PolarHBondContact O-N 3.49Å; D57-R59 PolarHBondContact O-N 2.88Å; D57-R59 VanDerWaalsContact O-N 3.15Å; D57-R60 PolarHBondContact O-N 3.11Å; D57-R60 VanDerWaalsContact O-N 3.11Å; D57-E61 HydrophobicContact CB-CG 4.29Å; D57-E61 WeakPolarHBondContact O-CB 3.48Å; D57-E61 PolarHBondContact O-N 3.25Å; D57-K83 IonicContact OD1-NZ 3.26Å; D57-K83 PolarHBondContact OD1-NZ 3.47Å; D57-K83 IonicContact OD2-NZ 3.63Å; D57-K83 PolarHBondContact OD2-NZ 3.01Å; D57-H137 WeakPolarHBondContact CB-O 3.39Å
58V95.5Very high95.2Very high11 Ų1172.9 Ų72.97%0.06733%0.333CS..Hα-helixtrans-57-30.8174.7170.90000113.3V36 Y38 L41 L50 A54 H137V36-V58 HydrophobicContact CG1-CG1 4.48Å; V36-V58 HydrophobicContact CG2-CG1 4.43Å; Y38-V58 HydrophobicContact CD1-CG1 4.03Å; Y38-V58 HydrophobicContact CE1-CG1 3.98Å; Y38-V58 WeakPolarHBondContact CE1-O 3.4Å; L41-V58 HydrophobicContact CD2-CB 4.41Å; L41-V58 HydrophobicContact CD2-CG1 3.76Å; L50-V58 HydrophobicContact CD1-CG1 4.33Å; L50-V58 HydrophobicContact CD1-CG2 3.83Å; A54-V58 HydrophobicContact CB-CG2 4.45Å; A54-V58 WeakPolarHBondContact O-CB 3.45Å; A54-V58 WeakPolarHBondContact O-CG2 3.4Å; A54-V58 PolarHBondContact O-N 3Å; V58-H137 HydrophobicContact CB-CB 4.48Å; V58-H137 HydrophobicContact CG2-CB 4.3Å; V58-H137 PolarHBondContact O-CD2 3.15Å; V58-H137 VanDerWaalsContact O-CD2 3.31Å
59R94.7Very high95.2Very high157 Ų15765.7 Ų65.759%0.59232%0.318SS*.Hα-helixtrans-90.1-18.2-179.8-69.6-179.4177177.60.4114W55 A56 D57W55-R59 WeakPolarHBondContact O-CG 3.45Å; W55-R59 PolarHBondContact O-N 3.46Å; A56-R59 PolarHBondContact O-N 3.08Å; D57-R59 PolarHBondContact O-N 2.88Å; D57-R59 VanDerWaalsContact O-N 3.15Å
60R95Very high95.2Very high208 Ų20866.9 Ų66.979%0.78532%0.323SS*.Hα-helixtrans-114-44.9-170.5-72.5-179.5164.7-179.2-4.2113.1A56 D57A56-R60 WeakPolarHBondContact O-CG 3.38Å; A56-R60 PolarHBondContact O-N 2.69Å; D57-R60 PolarHBondContact O-N 3.11Å; D57-R60 VanDerWaalsContact O-N 3.11Å
61E96.4Very high95.2Very high31 Ų3167.6 Ų67.615%0.14533%0.326CS..SBendtrans-90.3163.8-175.4-55.2-61.4154.500110.6D57 H137 R140D57-E61 HydrophobicContact CB-CG 4.29Å; D57-E61 WeakPolarHBondContact O-CB 3.48Å; D57-E61 PolarHBondContact O-N 3.25Å; E61-H137 HydrophobicContact CB-CB 4.4Å; E61-H137 WeakPolarHBondContact CB-O 3.49Å; E61-R140 IonicContact OE1-CZ 3.61Å; E61-R140 IonicContact OE1-NE 3.57Å; E61-R140 IonicContact OE1-NH2 3.9Å; E61-R140 PolarHBondContact OE1-NH2 3.09Å; E61-R140 IonicContact OE2-CZ 2.74Å; E61-R140 IonicContact OE2-NE 3.67Å; E61-R140 PolarHBondContact OE2-NE 2.94Å; E61-R140 IonicContact OE2-NH2 3.71Å; E61-R140 PolarHBondContact OE2-NH2 3.18Å
62S95.6Very high95.1Very high36 Ų3668.7 Ų68.725%0.25233%0.334SS..BIsolated β-bridgetrans-104.8156.9-178.3-64.10000112D138 W139S62-D138 PolarHBondContact O-N 3.36Å; S62-W139 PolarHBondContact O-N 3.34Å
63R96.3Very high95.1Very high7 Ų770.1 Ų70.13%0.02634%0.337CS..  trans-73.9157.4164.8-58.1173.9-174.8157.9-3.9110.1Y34 F65 Q66 L67 D110 H111 Y136 H137Y34-R63 PolarHBondContact O-NH2 2.92Å; R63-F65 PolarHBondContact O-N 3.09Å; R63-Q66 HydrophobicContact CB-CB 4.47Å; R63-Q66 HydrophobicContact CB-CG 4.06Å; R63-Q66 PolarHBondContact O-N 3.31Å; R63-L67 PolarHBondContact O-N 3.23Å; R63-D110 IonicContact NH1-OD2 2.73Å; R63-D110 PolarHBondContact NH1-OD2 3.04Å; R63-H111 PolarHBondContact NH1-CE1 2.79Å; R63-H111 PolarHBondContact NH1-NE2 2.87Å; R63-Y136 WeakPolarHBondContact CA-O 3.41Å; R63-H137 PolarHBondContact NE-CE1 3.4Å
64L96.4Very high95.1Very high0 Ų061.5 Ų61.50%031%0.306CS..Hα-helixtrans-55.9-50.7179.7-178.859.8000111.8Q66 L67 L68 V80 A114 V134 W139L64-Q66 VanDerWaalsContact C-N 3.31Å; L64-Q66 PolarHBondContact O-N 3.07Å; L64-L67 WeakPolarHBondContact O-CB 3.48Å; L64-L67 PolarHBondContact O-N 3.42Å; L64-L68 HydrophobicContact CD1-CD1 3.95Å; L64-L68 HydrophobicContact CD1-CD2 4.31Å; L64-L68 HydrophobicContact CD1-CG 4.01Å; L64-L68 HydrophobicContact CD2-CD1 4.26Å; L64-L68 HydrophobicContact CG-CD1 3.77Å; L64-L68 HydrophobicContact CG-CG 4.13Å; L64-L68 WeakPolarHBondContact O-CG 3.45Å; L64-L68 PolarHBondContact O-N 3.49Å; L64-V80 HydrophobicContact CD1-CB 4.06Å; L64-V80 HydrophobicContact CD1-CG1 3.87Å; L64-V80 HydrophobicContact CD1-CG2 3.94Å; L64-A114 HydrophobicContact CD2-CB 3.82Å; L64-V134 HydrophobicContact CB-CG1 4.17Å; L64-V134 HydrophobicContact CD2-CG1 4.17Å; L64-V134 HydrophobicContact CD2-CG2 4.14Å; L64-V134 PolarHBondContact N-O 3Å; L64-W139 HydrophobicContact CB-CB 4.38Å; L64-W139 HydrophobicContact CB-CD2 4.01Å; L64-W139 HydrophobicContact CB-CG 3.8Å; L64-W139 HydrophobicContact CD1-CD2 4.1Å; L64-W139 HydrophobicContact CD1-CE3 4.01Å; L64-W139 HydrophobicContact CD1-CG 4.32Å; L64-W139 HydrophobicContact CG-CD2 4.47Å
65F96.1Very high95.1Very high1 Ų160.2 Ų60.20%0.00430%0.296CS..Hα-helixtrans-68.8-24.6-177-85.9-93.5000114.3R63 L67 L68 G69 V100 P102 D110 H111 K113 A114 V134R63-F65 PolarHBondContact O-N 3.09Å; F65-L67 PolarHBondContact O-N 2.98Å; F65-L68 PolarHBondContact O-N 3.38Å; F65-G69 PolarHBondContact O-N 3.39Å; F65-V100 HydrophobicContact CD1-CG1 4.37Å; F65-V100 HydrophobicContact CE1-CG1 3.29Å; F65-V100 HydrophobicContact CZ-CG1 3.4Å; F65-P102 HydrophobicContact CD1-CB 4.29Å; F65-P102 HydrophobicContact CE1-CB 3.85Å; F65-D110 WeakPolarHBondContact CB-O 3.4Å; F65-H111 WeakPolarHBondContact CD1-O 3.47Å; F65-K113 WeakPolarHBondContact CZ-O 3.48Å; F65-A114 HydrophobicContact CE2-CB 4.4Å; F65-V134 HydrophobicContact CD2-CG1 3.45Å; F65-V134 VanDerWaalsContact CD2-CG1 3.45Å; F65-V134 HydrophobicContact CE2-CG1 3.5Å; F65-V134 VanDerWaalsContact CE2-CG1 3.5Å
66Q94.4Very high95.1Very high51 Ų5160.7 Ų60.724%0.23830%0.303CS..Hα-helixtrans-67-26.4171.1-68174.6-23.100112.2R63 L64 R70 D110R63-Q66 HydrophobicContact CB-CB 4.47Å; R63-Q66 HydrophobicContact CB-CG 4.06Å; R63-Q66 PolarHBondContact O-N 3.31Å; L64-Q66 VanDerWaalsContact C-N 3.31Å; L64-Q66 PolarHBondContact O-N 3.07Å; Q66-R70 PolarHBondContact O-NE 2.83Å; Q66-R70 PolarHBondContact O-NH2 2.74Å; Q66-D110 HydrophobicContact CG-CB 3.61Å
67L95.8Very high95.1Very high20 Ų2059.8 Ų59.811%0.10530%0.3CS..Hα-helixtrans-82.2-48.7172.2-55.7179.3000110.5R63 L64 F65 R70 W139 L141R63-L67 PolarHBondContact O-N 3.23Å; L64-L67 WeakPolarHBondContact O-CB 3.48Å; L64-L67 PolarHBondContact O-N 3.42Å; F65-L67 PolarHBondContact O-N 2.98Å; L67-R70 VanDerWaalsContact CD2-NH2 3.31Å; L67-R70 PolarHBondContact O-N 3.12Å; L67-W139 HydrophobicContact CD1-CB 4.08Å; L67-L141 HydrophobicContact CD1-CB 4.3Å
68L95.4Very high95.1Very high0 Ų059.6 Ų59.60%030%0.296CS..Hα-helixtrans-69.6-34.1-174.3-59.6-173.4000113.6L64 F65 R70 L71 F74 V80 L97 V100L64-L68 HydrophobicContact CD1-CD1 3.95Å; L64-L68 HydrophobicContact CD1-CD2 4.31Å; L64-L68 HydrophobicContact CD1-CG 4.01Å; L64-L68 HydrophobicContact CD2-CD1 4.26Å; L64-L68 HydrophobicContact CG-CD1 3.77Å; L64-L68 HydrophobicContact CG-CG 4.13Å; L64-L68 WeakPolarHBondContact O-CG 3.45Å; L64-L68 PolarHBondContact O-N 3.49Å; F65-L68 PolarHBondContact O-N 3.38Å; L68-R70 PolarHBondContact O-N 2.99Å; L68-L71 HydrophobicContact CD2-CD1 4.26Å; L68-L71 PolarHBondContact O-N 2.91Å; L68-F74 HydrophobicContact CB-CB 4.25Å; L68-F74 HydrophobicContact CB-CD1 4.44Å; L68-F74 WeakPolarHBondContact CD2-O 3.34Å; L68-F74 WeakPolarHBondContact O-CA 3.29Å; L68-V80 HydrophobicContact CD2-CG1 4.25Å; L68-L97 HydrophobicContact CD1-CD1 3.76Å; L68-L97 HydrophobicContact CD1-CD2 4.4Å; L68-L97 HydrophobicContact CD2-CD1 3.45Å; L68-L97 VanDerWaalsContact CD2-CD1 3.45Å; L68-L97 HydrophobicContact CG-CD1 4.25Å; L68-V100 HydrophobicContact CD1-CG1 4.48Å; L68-V100 HydrophobicContact CD1-CG2 4.19Å
69G93.3Very high95.2Very high40 Ų4059.7 Ų59.741%0.41230%0.296SS..THydrogen-bonded Turntrans-62.4-15.3179.500000114.3F65F65-G69 PolarHBondContact O-N 3.39Å
70R93.9Very high95.3Very high184 Ų18452.2 Ų52.269%0.69427%0.268SS*.THydrogen-bonded Turntrans-92.3-4.8175.7-66.6-178.1-81.9159.8-8.5113.6Q66 L67 L68Q66-R70 PolarHBondContact O-NE 2.83Å; Q66-R70 PolarHBondContact O-NH2 2.74Å; L67-R70 VanDerWaalsContact CD2-NH2 3.31Å; L67-R70 PolarHBondContact O-N 3.12Å; L68-R70 PolarHBondContact O-N 2.99Å
71L94.7Very high95.4Very high39 Ų3942.6 Ų42.620%0.20423%0.232CC..SBendtrans-105.1148-176.7-62.8177.4000111.3L68 L73 F74 L141L68-L71 HydrophobicContact CD2-CD1 4.26Å; L68-L71 PolarHBondContact O-N 2.91Å; L71-L73 PolarHBondContact O-N 3.25Å; L71-F74 PolarHBondContact O-N 2.8Å; L71-L141 HydrophobicContact CD1-CD1 4.04Å; L71-L141 HydrophobicContact CD1-CD2 3.82Å; L71-L141 HydrophobicContact CD2-CD2 4.29Å
72P93.9Very high95.4Very high113 Ų11342.2 Ų42.273%0.73423%0.229SC*.G310 helixtrans-55.2136.9167.8-2333.4000110.8F74 G75P72-F74 PolarHBondContact O-N 3.04Å; P72-F74 VanDerWaalsContact O-N 3.07Å; P72-G75 PolarHBondContact O-N 3.26Å
73L93.9Very high95.4Very high137 Ų13741.2 Ų41.272%0.71722%0.221SC*.G310 helixtrans5132.6179.7-56.8173000113.2L71 G75 L76L71-L73 PolarHBondContact O-N 3.25Å; L73-G75 PolarHBondContact O-N 3.44Å; L73-G75 VanDerWaalsContact O-N 3.12Å; L73-L76 HydrophobicContact CB-CD1 4.36Å; L73-L76 WeakPolarHBondContact O-CG 3.26Å; L73-L76 PolarHBondContact O-N 2.77Å
74F95.1Very high95.4Very high56 Ų5642.8 Ų42.825%0.24623%0.233CC..G310 helixtrans54.927.9-176.4-60.7-87.6000114.5L68 L71 P72 L76 V100 P102 L109L68-F74 HydrophobicContact CB-CB 4.25Å; L68-F74 HydrophobicContact CB-CD1 4.44Å; L68-F74 WeakPolarHBondContact CD2-O 3.34Å; L68-F74 WeakPolarHBondContact O-CA 3.29Å; L71-F74 PolarHBondContact O-N 2.8Å; P72-F74 PolarHBondContact O-N 3.04Å; P72-F74 VanDerWaalsContact O-N 3.07Å; F74-L76 PolarHBondContact O-N 3.26Å; F74-V100 HydrophobicContact CB-CB 3.92Å; F74-V100 HydrophobicContact CB-CG1 3.76Å; F74-V100 HydrophobicContact CB-CG2 4.02Å; F74-V100 HydrophobicContact CD1-CG1 4.33Å; F74-V100 HydrophobicContact CG-CB 4.48Å; F74-V100 HydrophobicContact CG-CG1 4.03Å; F74-P102 HydrophobicContact CE1-CB 3.94Å; F74-P102 HydrophobicContact CE1-CG 4.15Å; F74-P102 HydrophobicContact CE2-CG 3.94Å; F74-P102 HydrophobicContact CZ-CB 3.92Å; F74-P102 HydrophobicContact CZ-CG 3.64Å; F74-L109 HydrophobicContact CE1-CD2 4.35Å; F74-L109 HydrophobicContact CZ-CD2 3.95Å
75G94Very high95.3Very high4 Ų443 Ų434%0.04123%0.233CC..G310 helixtrans70.230.6175.400000114.5P72 L73 G77 R78 L97P72-G75 PolarHBondContact O-N 3.26Å; L73-G75 PolarHBondContact O-N 3.44Å; L73-G75 VanDerWaalsContact O-N 3.12Å; G75-G77 PolarHBondContact O-N 2.91Å; G75-R78 WeakPolarHBondContact O-CB 3.29Å; G75-R78 VanDerWaalsContact O-CG 3.31Å; G75-R78 WeakPolarHBondContact O-CG 3.41Å; G75-R78 PolarHBondContact O-N 2.69Å; G75-L97 WeakPolarHBondContact O-CD1 3.34Å
76L95.9Very high95.3Very high85 Ų8546.2 Ų46.245%0.44525%0.25SS..THydrogen-bonded Turntrans-51.1135.7171.6-71.7174.8000111.5L73 F74 R78 T98 V100L73-L76 HydrophobicContact CB-CD1 4.36Å; L73-L76 WeakPolarHBondContact O-CG 3.26Å; L73-L76 PolarHBondContact O-N 2.77Å; F74-L76 PolarHBondContact O-N 3.26Å; L76-R78 PolarHBondContact O-N 2.67Å; L76-T98 VanDerWaalsContact CD2-C 3.49Å; L76-T98 WeakPolarHBondContact CD2-O 3.28Å; L76-V100 HydrophobicContact CD2-CG2 4.12Å
77G95.1Very high95.2Very high36 Ų3652.9 Ų52.937%0.37127%0.273SS..THydrogen-bonded Turntrans79.5-8.8-176.900000115.4G75 L97G75-G77 PolarHBondContact O-N 2.91Å; G77-L97 WeakPolarHBondContact CA-O 3.16Å; G77-L97 PolarHBondContact N-O 3.42Å
78R95.9Very high95.1Very high35 Ų3557.3 Ų57.313%0.13229%0.294CS..  trans-78158.6177.6-62-69.2-62.1-83.1-5.2112G75 L76 L97 L141 V142 E147G75-R78 WeakPolarHBondContact O-CB 3.29Å; G75-R78 VanDerWaalsContact O-CG 3.31Å; G75-R78 WeakPolarHBondContact O-CG 3.41Å; G75-R78 PolarHBondContact O-N 2.69Å; L76-R78 PolarHBondContact O-N 2.67Å; R78-L97 PolarHBondContact O-N 3.05Å; R78-L97 VanDerWaalsContact O-N 3.09Å; R78-L141 HydrophobicContact CB-CD1 4.25Å; R78-V142 PolarHBondContact NH2-O 2.95Å; R78-E147 IonicContact CZ-OE1 2.85Å; R78-E147 IonicContact NE-OE1 2.6Å; R78-E147 PolarHBondContact NE-OE1 3.47Å; R78-E147 IonicContact NH2-OE1 2.7Å
79L96.9Very high95Very high13 Ų1358.4 Ų58.47%0.06830%0.299CS..EExtended strand (participates in β ladder)trans-94.4131.3174.7-52.4-175000110.8Y94 W95 R96 V142 E147L79-Y94 HydrophobicContact CB-CD2 4.42Å; L79-Y94 HydrophobicContact CD1-CD2 4.21Å; L79-Y94 HydrophobicContact CD1-CE2 4.2Å; L79-Y94 HydrophobicContact CD1-CG 4.5Å; L79-Y94 HydrophobicContact CD2-CD2 3.68Å; L79-Y94 HydrophobicContact CD2-CE2 3.77Å; L79-Y94 HydrophobicContact CG-CD2 4.32Å; L79-W95 WeakPolarHBondContact CA-O 3.45Å; L79-R96 HydrophobicContact CD2-CB 3.83Å; L79-R96 HydrophobicContact CD2-CG 3.95Å; L79-V142 HydrophobicContact CB-CB 4.03Å; L79-V142 HydrophobicContact CB-CG2 3.97Å; L79-V142 PolarHBondContact O-N 3.04Å; L79-V142 VanDerWaalsContact O-N 3.08Å; L79-E147 HydrophobicContact CD1-CB 4.26Å; L79-E147 HydrophobicContact CD1-CG 4.1Å; L79-E147 HydrophobicContact CG-CG 4.28Å
80V97.2Very high94.9Very high0 Ų064.5 Ų64.50%032%0.322CS..EExtended strand (participates in β ladder)trans-123.3135.6172-650000109.5L64 L68 Y94 W95 L97 W139 R140 L141L64-V80 HydrophobicContact CD1-CB 4.06Å; L64-V80 HydrophobicContact CD1-CG1 3.87Å; L64-V80 HydrophobicContact CD1-CG2 3.94Å; L68-V80 HydrophobicContact CD2-CG1 4.25Å; V80-Y94 CarbonylContact O-C 3.58Å; V80-Y94 VanDerWaalsContact O-CA 3.29Å; V80-Y94 WeakPolarHBondContact O-CA 3.24Å; V80-Y94 WeakPolarHBondContact O-CB 3.44Å; V80-W95 HydrophobicContact CG2-CB 3.88Å; V80-W95 PolarHBondContact N-O 2.96Å; V80-W95 PolarHBondContact O-N 2.92Å; V80-L97 HydrophobicContact CG1-CD1 4.01Å; V80-L97 HydrophobicContact CG2-CD2 4.2Å; V80-L97 HydrophobicContact CG2-CG 4.27Å; V80-W139 HydrophobicContact CB-CE3 4.24Å; V80-W139 HydrophobicContact CB-CZ3 4.49Å; V80-W139 HydrophobicContact CG2-CE3 4.08Å; V80-W139 HydrophobicContact CG2-CZ3 3.9Å; V80-R140 WeakPolarHBondContact CA-O 3.42Å; V80-L141 HydrophobicContact CG1-CD1 3.9Å
81T96.9Very high95Very high6 Ų658.5 Ų58.54%0.03730%0.302CS..EExtended strand (participates in β ladder)trans-121.3177.3178.6-170.50000109.9L86 C93 R140 V142 F150T81-L86 HydrophobicContact CG2-CD1 4.03Å; T81-L86 HydrophobicContact CG2-CD2 4.31Å; T81-L86 HydrophobicContact CG2-CG 4.29Å; T81-C93 WeakPolarHBondContact CB-O 3.45Å; T81-C93 PolarHBondContact OG1-O 3.45Å; T81-R140 HydrophobicContact CG2-CB 4.11Å; T81-R140 PolarHBondContact N-O 3.38Å; T81-R140 PolarHBondContact O-N 3.08Å; T81-V142 HydrophobicContact CG2-CG2 4.13Å; T81-F150 HydrophobicContact CG2-CZ 4.36Å
82R96.6Very high95Very high24 Ų2457.2 Ų57.29%0.09130%0.295CS..EExtended strand (participates in β ladder)trans-122.8139.9179.9-68.4174.560-158.8-4110.5S84 W85 L86 D138 W139R82-S84 VanDerWaalsContact C-N 3.26Å; R82-S84 PolarHBondContact NH2-OG 3.46Å; R82-S84 PolarHBondContact O-N 3.36Å; R82-W85 HydrophobicContact CB-CB 4.38Å; R82-W85 HydrophobicContact CB-CD2 3.83Å; R82-W85 HydrophobicContact CB-CE3 3.9Å; R82-W85 HydrophobicContact CB-CG 4.04Å; R82-W85 HydrophobicContact CG-CD2 4.22Å; R82-W85 HydrophobicContact CG-CE3 4.05Å; R82-W85 HydrophobicContact CG-CZ3 4.27Å; R82-W85 PolarHBondContact O-N 3.11Å; R82-W85 VanDerWaalsContact O-N 3.12Å; R82-L86 WeakPolarHBondContact O-CG 3.41Å; R82-L86 PolarHBondContact O-N 3.38Å; R82-L86 VanDerWaalsContact O-N 3.09Å; R82-D138 CarbonylContact C-O 3.6Å; R82-D138 WeakPolarHBondContact CA-O 3.42Å; R82-D138 IonicContact CZ-OD2 3.23Å; R82-D138 VanDerWaalsContact CZ-OD2 3.28Å; R82-D138 IonicContact NE-OD2 2.77Å; R82-D138 PolarHBondContact NE-OD2 2.99Å; R82-D138 IonicContact NH2-OD2 3.14Å; R82-D138 PolarHBondContact NH2-OD2 2.95Å; R82-W139 HydrophobicContact CG-CD2 4.06Å; R82-W139 HydrophobicContact CG-CE3 3.78Å; R82-W139 HydrophobicContact CG-CH2 4.13Å; R82-W139 HydrophobicContact CG-CZ2 4.38Å; R82-W139 HydrophobicContact CG-CZ3 3.83Å
83K96.4Very high95.1Very high15 Ų1552 Ų527%0.06526%0.262CS..Hα-helixtrans-60.1-39176.7169.8-97.4175.2167.20111.2D57 W85 L86 W87 D138D57-K83 IonicContact OD1-NZ 3.26Å; D57-K83 PolarHBondContact OD1-NZ 3.47Å; D57-K83 IonicContact OD2-NZ 3.63Å; D57-K83 PolarHBondContact OD2-NZ 3.01Å; K83-W85 VanDerWaalsContact C-N 3.3Å; K83-W85 PolarHBondContact O-N 3.04Å; K83-L86 PolarHBondContact O-N 3.32Å; K83-W87 HydrophobicContact CD-CD2 4.44Å; K83-W87 VanDerWaalsContact CE-CD2 3.47Å; K83-W87 VanDerWaalsContact CE-CE3 3.47Å; K83-W87 VanDerWaalsContact NZ-CZ3 3.27Å; K83-W87 PolarHBondContact O-N 3.04Å; K83-D138 WeakPolarHBondContact CB-OD1 3.41Å; K83-D138 PolarHBondContact N-O 3.3Å; K83-D138 PolarHBondContact N-OD1 3.11Å
84S94.8Very high95.2Very high40 Ų4046.4 Ų46.428%0.2823%0.231SC..Hα-helixtrans-59-38.2174.955.80000113.3R82 Q88 D138R82-S84 VanDerWaalsContact C-N 3.26Å; R82-S84 PolarHBondContact NH2-OG 3.46Å; R82-S84 PolarHBondContact O-N 3.36Å; S84-Q88 VanDerWaalsContact O-CB 3.28Å; S84-Q88 WeakPolarHBondContact O-CB 3.19Å; S84-Q88 PolarHBondContact O-N 3.46Å; S84-D138 WeakPolarHBondContact CB-OD2 3.36Å; S84-D138 PolarHBondContact N-OD1 3.32Å; S84-D138 PolarHBondContact OG-OD1 3.31Å; S84-D138 PolarHBondContact OG-OD2 3.47Å
85W95.6Very high95.4Very high3 Ų343.9 Ų43.91%0.01122%0.22CC..Hα-helixtrans-72.1-43.1177.1-65.1-23.1000112.6R82 K83 W87 Q88 H89 C93 W95 L118 P204R82-W85 HydrophobicContact CB-CB 4.38Å; R82-W85 HydrophobicContact CB-CD2 3.83Å; R82-W85 HydrophobicContact CB-CE3 3.9Å; R82-W85 HydrophobicContact CB-CG 4.04Å; R82-W85 HydrophobicContact CG-CD2 4.22Å; R82-W85 HydrophobicContact CG-CE3 4.05Å; R82-W85 HydrophobicContact CG-CZ3 4.27Å; R82-W85 PolarHBondContact O-N 3.11Å; R82-W85 VanDerWaalsContact O-N 3.12Å; K83-W85 VanDerWaalsContact C-N 3.3Å; K83-W85 PolarHBondContact O-N 3.04Å; W85-W87 PolarHBondContact O-N 3.47Å; W85-W87 VanDerWaalsContact O-N 3.11Å; W85-Q88 PolarHBondContact O-N 3.27Å; W85-H89 PolarHBondContact O-N 3.12Å; W85-C93 HydrophobicContact CB-CB 3.96Å; W85-C93 HydrophobicContact CD2-CB 3.96Å; W85-C93 HydrophobicContact CE3-CB 3.65Å; W85-C93 HydrophobicContact CG-CB 4.15Å; W85-C93 HydrophobicContact CZ3-CB 4.33Å; W85-W95 AromaticContact CH2-CD1 3.72Å; W85-W95 AromaticContact CH2-NE1 3.35Å; W85-W95 AromaticContact CZ3-CD1 3.86Å; W85-W95 AromaticContact CZ3-NE1 3.98Å; W85-L118 HydrophobicContact CH2-CD1 4.02Å; W85-L118 HydrophobicContact CZ3-CD1 4.47Å; W85-P204 HydrophobicContact CH2-CG 3.97Å; W85-P204 HydrophobicContact CZ2-CG 3.67Å
86L94.6Very high95.5Very high70 Ų7050.4 Ų50.437%0.36624%0.244SC..Hα-helixtrans-59.1-23.8177.2-65.5174.4000113.2T81 R82 K83 F150T81-L86 HydrophobicContact CG2-CD1 4.03Å; T81-L86 HydrophobicContact CG2-CD2 4.31Å; T81-L86 HydrophobicContact CG2-CG 4.29Å; R82-L86 WeakPolarHBondContact O-CG 3.41Å; R82-L86 PolarHBondContact O-N 3.38Å; R82-L86 VanDerWaalsContact O-N 3.09Å; K83-L86 PolarHBondContact O-N 3.32Å; L86-F150 HydrophobicContact CD2-CE2 3.73Å; L86-F150 HydrophobicContact CD2-CZ 4Å
87W93.8Very high95.6Very high191 Ų19146.5 Ų46.572%0.72322%0.223SC*.Hα-helixtrans-93-17.8177.4-72.411.6000113.3K83 W85K83-W87 HydrophobicContact CD-CD2 4.44Å; K83-W87 VanDerWaalsContact CE-CD2 3.47Å; K83-W87 VanDerWaalsContact CE-CE3 3.47Å; K83-W87 VanDerWaalsContact NZ-CZ3 3.27Å; K83-W87 PolarHBondContact O-N 3.04Å; W85-W87 PolarHBondContact O-N 3.47Å; W85-W87 VanDerWaalsContact O-N 3.11Å
88Q94.1Very high95.7Very high113 Ų11347.8 Ų47.853%0.52822%0.224SC..Hα-helixtrans-104-32.4-171.2-175.960.452.100112.7S84 W85S84-Q88 VanDerWaalsContact O-CB 3.28Å; S84-Q88 WeakPolarHBondContact O-CB 3.19Å; S84-Q88 PolarHBondContact O-N 3.46Å; W85-Q88 PolarHBondContact O-N 3.27Å
89H93.1Very high95.7Very high22 Ų2252.7 Ų52.710%0.10224%0.242CC..  trans-129.8136.3-175.9-52.9-73.4000109.6W85 F120 D202W85-H89 PolarHBondContact O-N 3.12Å; H89-F120 AromaticContact NE2-CZ 3.7Å; H89-D202 IonicContact CD2-OD2 3.44Å; H89-D202 IonicContact CE1-OD1 3.03Å; H89-D202 IonicContact CE1-OD2 3.69Å; H89-D202 IonicContact NE2-OD1 2.86Å; H89-D202 IonicContact NE2-OD2 3.86Å; H89-D202 PolarHBondContact NE2-OD2 3.02Å
90D91.6Very high95.7Very high169 Ų16953.2 Ų53.290%0.90425%0.246SC*.SBendtrans-79.4-27.9172-63.1-40.2000110.8
91E94.3Very high95.6Very high58 Ų5858.5 Ų58.527%0.27127%0.271SS..SBendtrans-73.5146.6179-52.198.713800111.6C93 K121 F153E91-C93 PolarHBondContact O-N 2.96Å; E91-C93 PolarHBondContact O-SG 3.33Å; E91-C93 VanDerWaalsContact O-SG 3.37Å; E91-K121 HydrophobicContact CB-CB 4.02Å; E91-K121 HydrophobicContact CB-CG 4.5Å; E91-K121 HydrophobicContact CG-CB 4.49Å; E91-K121 WeakPolarHBondContact OE1-CE 3.27Å; E91-K121 IonicContact OE1-NZ 3.75Å; E91-K121 PolarHBondContact OE1-NZ 3.35Å; E91-K121 WeakPolarHBondContact OE2-CE 3.5Å; E91-K121 IonicContact OE2-NZ 3.23Å; E91-F153 HydrophobicContact CB-CD2 4.37Å; E91-F153 HydrophobicContact CB-CE2 3.94Å; E91-F153 HydrophobicContact CB-CZ 4.5Å; E91-F153 HydrophobicContact CG-CD2 4.4Å; E91-F153 HydrophobicContact CG-CE2 3.57Å; E91-F153 HydrophobicContact CG-CZ 4.1Å
92P95.1Very high95.5Very high11 Ų1159.8 Ų59.87%0.07128%0.279CS..  trans-68.4127.6-173.927.9-34.8000111.7Y94 K121 G122 F150 F153P92-Y94 HydrophobicContact CB-CD1 4.18Å; P92-Y94 HydrophobicContact CB-CE1 4.07Å; P92-K121 PolarHBondContact O-N 3.35Å; P92-G122 PolarHBondContact O-N 3.36Å; P92-G122 VanDerWaalsContact O-N 3.08Å; P92-F150 HydrophobicContact CB-CD1 4.48Å; P92-F150 HydrophobicContact CB-CE1 4.26Å; P92-F150 WeakPolarHBondContact CB-O 3.43Å; P92-F153 HydrophobicContact CG-CB 3.78Å; P92-F153 HydrophobicContact CG-CD2 4.48Å; P92-F153 HydrophobicContact CG-CG 4.24Å
93C96.4Very high95.4Very high4 Ų459.2 Ų59.23%0.02728%0.278CS..  trans-125.8115.7178.3-62.90000109.3T81 W85 E91 T119 F120 K121T81-C93 WeakPolarHBondContact CB-O 3.45Å; T81-C93 PolarHBondContact OG1-O 3.45Å; W85-C93 HydrophobicContact CB-CB 3.96Å; W85-C93 HydrophobicContact CD2-CB 3.96Å; W85-C93 HydrophobicContact CE3-CB 3.65Å; W85-C93 HydrophobicContact CG-CB 4.15Å; W85-C93 HydrophobicContact CZ3-CB 4.33Å; E91-C93 PolarHBondContact O-N 2.96Å; E91-C93 PolarHBondContact O-SG 3.33Å; E91-C93 VanDerWaalsContact O-SG 3.37Å; C93-T119 CarbonylContact C-O 3.48Å; C93-T119 WeakPolarHBondContact CA-O 3.28Å; C93-F120 HydrophobicContact CB-CD2 4.31Å; C93-K121 PolarHBondContact SG-N 3.22Å
94Y96.9Very high95.2Very high19 Ų1966.3 Ų66.38%0.07531%0.305CS..EExtended strand (participates in β ladder)trans-156.6162.2-177.357.1-94.8000112.5L79 V80 P92 T119 F150 T151L79-Y94 HydrophobicContact CB-CD2 4.42Å; L79-Y94 HydrophobicContact CD1-CD2 4.21Å; L79-Y94 HydrophobicContact CD1-CE2 4.2Å; L79-Y94 HydrophobicContact CD1-CG 4.5Å; L79-Y94 HydrophobicContact CD2-CD2 3.68Å; L79-Y94 HydrophobicContact CD2-CE2 3.77Å; L79-Y94 HydrophobicContact CG-CD2 4.32Å; V80-Y94 CarbonylContact O-C 3.58Å; V80-Y94 VanDerWaalsContact O-CA 3.29Å; V80-Y94 WeakPolarHBondContact O-CA 3.24Å; V80-Y94 WeakPolarHBondContact O-CB 3.44Å; P92-Y94 HydrophobicContact CB-CD1 4.18Å; P92-Y94 HydrophobicContact CB-CE1 4.07Å; Y94-T119 HydrophobicContact CE1-CG2 3.89Å; Y94-T119 HydrophobicContact CE2-CG2 4.29Å; Y94-T119 VanDerWaalsContact CE2-OG1 3.27Å; Y94-T119 WeakPolarHBondContact CE2-OG1 3.4Å; Y94-T119 VanDerWaalsContact CZ-CB 3.46Å; Y94-T119 PolarHBondContact N-O 3.39Å; Y94-T119 PolarHBondContact O-N 2.79Å; Y94-T119 PolarHBondContact OH-OG1 2.75Å; Y94-F150 HydrophobicContact CD1-CD1 4.01Å; Y94-F150 AromaticContact CD1-CE1 3.6Å; Y94-F150 HydrophobicContact CD1-CE1 3.6Å; Y94-F150 HydrophobicContact CE1-CE1 4.49Å; Y94-F150 HydrophobicContact CG-CE1 4.2Å; Y94-T151 HydrophobicContact CE1-CG2 4.45Å; Y94-T151 VanDerWaalsContact OH-CG2 3.32Å; Y94-T151 WeakPolarHBondContact OH-CG2 3.35Å
95W97.6Very high95Very high3 Ų367.4 Ų67.41%0.01131%0.31CS..EExtended strand (participates in β ladder)trans-106.9133.9166.5-70.191.9000109.9L79 V80 W85 G116 I117 L118 R129 I131 W139 P204L79-W95 WeakPolarHBondContact CA-O 3.45Å; V80-W95 HydrophobicContact CG2-CB 3.88Å; V80-W95 PolarHBondContact N-O 2.96Å; V80-W95 PolarHBondContact O-N 2.92Å; W85-W95 AromaticContact CH2-CD1 3.72Å; W85-W95 AromaticContact CH2-NE1 3.35Å; W85-W95 AromaticContact CZ3-CD1 3.86Å; W85-W95 AromaticContact CZ3-NE1 3.98Å; W95-G116 VanDerWaalsContact CZ3-O 3.29Å; W95-G116 WeakPolarHBondContact CZ3-O 3.47Å; W95-I117 WeakPolarHBondContact CA-O 3.4Å; W95-L118 HydrophobicContact CD2-CB 4.21Å; W95-L118 HydrophobicContact CD2-CD1 4.01Å; W95-L118 HydrophobicContact CE3-CB 3.83Å; W95-L118 HydrophobicContact CE3-CD1 4.5Å; W95-L118 HydrophobicContact CG-CD1 4.44Å; W95-L118 HydrophobicContact CH2-CB 3.71Å; W95-L118 HydrophobicContact CH2-CD1 4.42Å; W95-L118 HydrophobicContact CH2-CD2 4.36Å; W95-L118 HydrophobicContact CH2-CG 4.38Å; W95-L118 HydrophobicContact CZ2-CB 4.08Å; W95-L118 HydrophobicContact CZ2-CD1 3.9Å; W95-L118 HydrophobicContact CZ2-CD2 4.27Å; W95-L118 HydrophobicContact CZ2-CG 4.31Å; W95-L118 HydrophobicContact CZ3-CB 3.58Å; W95-R129 HydrophobicContact CH2-CG 3.78Å; W95-R129 HydrophobicContact CZ3-CG 3.83Å; W95-I131 HydrophobicContact CB-CD1 3.86Å; W95-I131 HydrophobicContact CD2-CD1 3.96Å; W95-I131 HydrophobicContact CD2-CG1 3.76Å; W95-I131 HydrophobicContact CD2-CG2 4.38Å; W95-I131 HydrophobicContact CE3-CD1 4.11Å; W95-I131 HydrophobicContact CE3-CG1 3.74Å; W95-I131 HydrophobicContact CG-CD1 3.89Å; W95-I131 HydrophobicContact CG-CG1 4.18Å; W95-I131 HydrophobicContact CG-CG2 4.45Å; W95-I131 HydrophobicContact CZ3-CG1 4.11Å; W95-W139 AromaticContact CD1-CH2 3.78Å; W95-W139 AromaticContact CD1-CZ3 3.79Å; W95-W139 AromaticContact NE1-CH2 3.99Å; W95-P204 HydrophobicContact CZ2-CB 3.78Å; W95-P204 HydrophobicContact CZ2-CG 4.06Å
96R97.3Very high94.8Very high142 Ų14267.6 Ų67.654%0.53631%0.313SS..EExtended strand (participates in β ladder)trans-93.7114.7166.6-173.1175.8-173.1-175.11.1109.4L79 T98 G116 I117L79-R96 HydrophobicContact CD2-CB 3.83Å; L79-R96 HydrophobicContact CD2-CG 3.95Å; R96-T98 PolarHBondContact O-N 3.41Å; R96-G116 CarbonylContact O-C 3.44Å; R96-G116 WeakPolarHBondContact O-CA 3.46Å; R96-I117 PolarHBondContact N-O 3.12Å; R96-I117 PolarHBondContact O-N 3.06Å
97L97.4Very high94.6Very high3 Ų373 Ų732%0.01634%0.336CS..EExtended strand (participates in β ladder)trans-70.5128.8-173.4-65.9170.9000112.1L68 G75 G77 R78 V80 A114 I131L68-L97 HydrophobicContact CD1-CD1 3.76Å; L68-L97 HydrophobicContact CD1-CD2 4.4Å; L68-L97 HydrophobicContact CD2-CD1 3.45Å; L68-L97 VanDerWaalsContact CD2-CD1 3.45Å; L68-L97 HydrophobicContact CG-CD1 4.25Å; G75-L97 WeakPolarHBondContact O-CD1 3.34Å; G77-L97 WeakPolarHBondContact CA-O 3.16Å; G77-L97 PolarHBondContact N-O 3.42Å; R78-L97 PolarHBondContact O-N 3.05Å; R78-L97 VanDerWaalsContact O-N 3.09Å; V80-L97 HydrophobicContact CG1-CD1 4.01Å; V80-L97 HydrophobicContact CG2-CD2 4.2Å; V80-L97 HydrophobicContact CG2-CG 4.27Å; L97-A114 HydrophobicContact CD2-CB 4.27Å; L97-I131 HydrophobicContact CD2-CD1 3.71Å
98T97.1Very high94.6Very high63 Ų6369.5 Ų69.539%0.38733%0.332SS..EExtended strand (participates in β ladder)trans-118.5-32179.2580000113.1L76 R96 W115 I117 A128L76-T98 VanDerWaalsContact CD2-C 3.49Å; L76-T98 WeakPolarHBondContact CD2-O 3.28Å; R96-T98 PolarHBondContact O-N 3.41Å; T98-W115 PolarHBondContact N-O 2.98Å; T98-W115 PolarHBondContact OG1-O 2.8Å; T98-I117 HydrophobicContact CG2-CD1 4.34Å; T98-I117 HydrophobicContact CG2-CG1 4.12Å; T98-A128 HydrophobicContact CG2-CB 4.05Å; T98-A128 WeakPolarHBondContact OG1-CB 3.14Å
99R96.8Very high94.5Very high137 Ų13767.4 Ų67.452%0.51732%0.324SS..EExtended strand (participates in β ladder)trans-145.6143.5176-170176.178.2-176.14.6110.5A114 W115R99-A114 CarbonylContact O-C 3.55Å; R99-A114 WeakPolarHBondContact O-CA 3.41Å; R99-W115 HydrophobicContact CB-CB 4.06Å; R99-W115 HydrophobicContact CB-CD2 4.41Å; R99-W115 HydrophobicContact CB-CE3 3.95Å; R99-W115 HydrophobicContact CB-CG 4.46Å; R99-W115 HydrophobicContact CG-CE3 3.99Å; R99-W115 HydrophobicContact CG-CZ3 4.47Å; R99-W115 PolarHBondContact N-O 3.31Å; R99-W115 PolarHBondContact O-N 3.43Å
100V96.6Very high94.5Very high25 Ų2567.7 Ų67.715%0.15233%0.326CS..EExtended strand (participates in β ladder)trans-133.1132.4175.8-175.30000109.1F65 L68 F74 L76F65-V100 HydrophobicContact CD1-CG1 4.37Å; F65-V100 HydrophobicContact CE1-CG1 3.29Å; F65-V100 HydrophobicContact CZ-CG1 3.4Å; L68-V100 HydrophobicContact CD1-CG1 4.48Å; L68-V100 HydrophobicContact CD1-CG2 4.19Å; F74-V100 HydrophobicContact CB-CB 3.92Å; F74-V100 HydrophobicContact CB-CG1 3.76Å; F74-V100 HydrophobicContact CB-CG2 4.02Å; F74-V100 HydrophobicContact CD1-CG1 4.33Å; F74-V100 HydrophobicContact CG-CB 4.48Å; F74-V100 HydrophobicContact CG-CG1 4.03Å; L76-V100 HydrophobicContact CD2-CG2 4.12Å
101Q95.6Very high94.6Very high110 Ų11060.2 Ų60.251%0.51429%0.286SS..EExtended strand (participates in β ladder)trans-12394.4174.6-175.9178.91.100108.7G112 K113 W115Q101-G112 CarbonylContact O-C 3.58Å; Q101-G112 VanDerWaalsContact O-CA 3.32Å; Q101-G112 WeakPolarHBondContact O-CA 3.44Å; Q101-K113 HydrophobicContact CB-CB 4.49Å; Q101-K113 PolarHBondContact N-O 3.01Å; Q101-K113 PolarHBondContact O-N 3.18Å; Q101-W115 HydrophobicContact CB-CH2 4.08Å; Q101-W115 HydrophobicContact CB-CZ3 3.67Å
102P95.2Very high94.6Very high34 Ų3458 Ų5822%0.22128%0.278CS..EExtended strand (participates in β ladder)trans-71.3150.5178.530.6-35.7000112F65 F74 Y104 L109F65-P102 HydrophobicContact CD1-CB 4.29Å; F65-P102 HydrophobicContact CE1-CB 3.85Å; F74-P102 HydrophobicContact CE1-CB 3.94Å; F74-P102 HydrophobicContact CE1-CG 4.15Å; F74-P102 HydrophobicContact CE2-CG 3.94Å; F74-P102 HydrophobicContact CZ-CB 3.92Å; F74-P102 HydrophobicContact CZ-CG 3.64Å; P102-Y104 PolarHBondContact O-N 3.12Å; P102-L109 HydrophobicContact CB-CD2 4.25Å
103D94.2Very high94.6Very high11 Ų1160.3 Ų60.36%0.05929%0.287CS..  trans-81.499.2167.3-172.4-3.8000109.3R29 D30 S31 T105 A106 H111R29-D103 WeakPolarHBondContact CB-OD2 3.4Å; D30-D103 HydrophobicContact CB-CB 4.47Å; D30-D103 PolarHBondContact N-OD2 2.87Å; S31-D103 PolarHBondContact N-OD2 3.19Å; S31-D103 PolarHBondContact OG-OD2 2.83Å; D103-T105 VanDerWaalsContact CG-OG1 3.25Å; D103-T105 PolarHBondContact O-N 3.39Å; D103-T105 VanDerWaalsContact O-N 3.1Å; D103-T105 WeakPolarHBondContact OD1-CB 3.48Å; D103-T105 PolarHBondContact OD1-N 2.83Å; D103-T105 VanDerWaalsContact OD1-N 3.07Å; D103-T105 PolarHBondContact OD1-OG1 3.39Å; D103-T105 PolarHBondContact OD2-OG1 3.2Å; D103-A106 WeakPolarHBondContact O-CB 3.49Å; D103-A106 PolarHBondContact O-N 2.84Å; D103-A106 VanDerWaalsContact O-N 3.09Å; D103-H111 HydrophobicContact CB-CB 3.99Å; D103-H111 WeakPolarHBondContact CB-O 3.36Å; D103-H111 PolarHBondContact N-O 3.13Å
104Y91.4Very high94.6Very high164 Ų16460.1 Ų60.164%0.64329%0.286SS*.THydrogen-bonded Turntrans-66.2-7.3179.554.5-93.4000113.8R29 P102R29-Y104 PolarHBondContact NH1-OH 3.37Å; P102-Y104 PolarHBondContact O-N 3.12Å
105T91.5Very high94.7Very high63 Ų6360.9 Ų60.939%0.38729%0.289SS..THydrogen-bonded Turntrans-83.9-14.7173.368.90000113R29 S31 D103R29-T105 WeakPolarHBondContact CB-OG1 3.5Å; R29-T105 HydrophobicContact CG-CG2 3.95Å; S31-T105 PolarHBondContact OG-OG1 2.85Å; S31-T105 VanDerWaalsContact OG-OG1 3.1Å; D103-T105 VanDerWaalsContact CG-OG1 3.25Å; D103-T105 PolarHBondContact O-N 3.39Å; D103-T105 VanDerWaalsContact O-N 3.1Å; D103-T105 WeakPolarHBondContact OD1-CB 3.48Å; D103-T105 PolarHBondContact OD1-N 2.83Å; D103-T105 VanDerWaalsContact OD1-N 3.07Å; D103-T105 PolarHBondContact OD1-OG1 3.39Å; D103-T105 PolarHBondContact OD2-OG1 3.2Å
106A91.4Very high94.7Very high7 Ų760.7 Ų60.76%0.05829%0.288CS..SBendtrans-79.1126.3174.600000110.1D103 N108 L109 D110D103-A106 WeakPolarHBondContact O-CB 3.49Å; D103-A106 PolarHBondContact O-N 2.84Å; D103-A106 VanDerWaalsContact O-N 3.09Å; A106-N108 PolarHBondContact O-N 3.2Å; A106-L109 PolarHBondContact O-N 3.2Å; A106-L109 VanDerWaalsContact O-N 3.09Å; A106-D110 WeakPolarHBondContact CB-OD1 3.35Å
107Q90.4Very high94.7Very high184 Ų18456 Ų5686%0.8627%0.273SS*.THydrogen-bonded Turntrans-55.2-37.2-179.4-176.1176.11.100112.8
108N91.8Very high94.6Very high118 Ų11855.8 Ų55.863%0.63127%0.272SS*.THydrogen-bonded Turntrans-103.29.2-177.4-62.3-25.2000113.3A106 D110A106-N108 PolarHBondContact O-N 3.2Å; N108-D110 HydrophobicContact CB-CB 4.4Å; N108-D110 PolarHBondContact O-N 2.6Å; N108-D110 VanDerWaalsContact O-N 3.15Å
109L92.8Very high94.6Very high69 Ų6953 Ų5336%0.36126%0.255SS..  trans49.237.1-173.7-62.398.3000113.5F74 P102 A106 H111F74-L109 HydrophobicContact CE1-CD2 4.35Å; F74-L109 HydrophobicContact CZ-CD2 3.95Å; P102-L109 HydrophobicContact CB-CD2 4.25Å; A106-L109 PolarHBondContact O-N 3.2Å; A106-L109 VanDerWaalsContact O-N 3.09Å; L109-H111 VanDerWaalsContact C-N 3.32Å; L109-H111 PolarHBondContact O-N 3.4Å
110D92.7Very high94.5Very high28 Ų2846.9 Ų46.915%0.1523%0.232CC..  trans-92.310.9-172.567.4-40.5000114R63 F65 Q66 A106 N108R63-D110 IonicContact NH1-OD2 2.73Å; R63-D110 PolarHBondContact NH1-OD2 3.04Å; F65-D110 WeakPolarHBondContact CB-O 3.4Å; Q66-D110 HydrophobicContact CG-CB 3.61Å; A106-D110 WeakPolarHBondContact CB-OD1 3.35Å; N108-D110 HydrophobicContact CB-CB 4.4Å; N108-D110 PolarHBondContact O-N 2.6Å; N108-D110 VanDerWaalsContact O-N 3.15Å
111H94.4Very high94.4Very high11 Ų1148.7 Ų48.75%0.05124%0.238CC..  trans-136.1158.6179-67.3-85000111.1D30 R63 F65 D103 L109D30-H111 HydrophobicContact CB-CB 4.08Å; R63-H111 PolarHBondContact NH1-CE1 2.79Å; R63-H111 PolarHBondContact NH1-NE2 2.87Å; F65-H111 WeakPolarHBondContact CD1-O 3.47Å; D103-H111 HydrophobicContact CB-CB 3.99Å; D103-H111 WeakPolarHBondContact CB-O 3.36Å; D103-H111 PolarHBondContact N-O 3.13Å; L109-H111 VanDerWaalsContact C-N 3.32Å; L109-H111 PolarHBondContact O-N 3.4Å
112G94.4Very high94.2Very high11 Ų1144.6 Ų44.611%0.11323%0.225CC..EExtended strand (participates in β ladder)trans154.5-161.2175.100000113Q101 V134Q101-G112 CarbonylContact O-C 3.58Å; Q101-G112 VanDerWaalsContact O-CA 3.32Å; Q101-G112 WeakPolarHBondContact O-CA 3.44Å; G112-V134 WeakPolarHBondContact O-CG1 3.49Å
113K95.6Very high94.1Very high61 Ų6148.5 Ų48.527%0.26524%0.238SC..EExtended strand (participates in β ladder)trans-123.7142.1177.5-69.3169.3161.7-102.80110.9F65 Q101 W115 E130F65-K113 WeakPolarHBondContact CZ-O 3.48Å; Q101-K113 HydrophobicContact CB-CB 4.49Å; Q101-K113 PolarHBondContact N-O 3.01Å; Q101-K113 PolarHBondContact O-N 3.18Å; K113-W115 HydrophobicContact CB-CH2 3.57Å; K113-W115 HydrophobicContact CB-CZ2 4.31Å; K113-W115 HydrophobicContact CB-CZ3 3.82Å; K113-W115 HydrophobicContact CD-CH2 4.17Å; K113-W115 WeakPolarHBondContact O-CZ3 3.49Å; K113-E130 IonicContact NZ-OE1 3.56Å; K113-E130 PolarHBondContact NZ-OE1 2.7Å; K113-E130 IonicContact NZ-OE2 2.69Å
114A96.5Very high94.1Very high0 Ų052.4 Ų52.40%026%0.263CS..EExtended strand (participates in β ladder)trans-128.9151.7177.900000110.5L64 F65 L97 R99 I131L64-A114 HydrophobicContact CD2-CB 3.82Å; F65-A114 HydrophobicContact CE2-CB 4.4Å; L97-A114 HydrophobicContact CD2-CB 4.27Å; R99-A114 CarbonylContact O-C 3.55Å; R99-A114 WeakPolarHBondContact O-CA 3.41Å; A114-I131 HydrophobicContact CB-CB 4.46Å; A114-I131 HydrophobicContact CB-CD1 4Å; A114-I131 HydrophobicContact CB-CG1 4.49Å; A114-I131 PolarHBondContact O-N 2.6Å
115W97.6Very high94.2Very high34 Ų3446.7 Ų46.713%0.12924%0.242CC..EExtended strand (participates in β ladder)trans-124.7147.5172.1-63.5-104.7000108.8T98 R99 Q101 K113 R129 E130T98-W115 PolarHBondContact N-O 2.98Å; T98-W115 PolarHBondContact OG1-O 2.8Å; R99-W115 HydrophobicContact CB-CB 4.06Å; R99-W115 HydrophobicContact CB-CD2 4.41Å; R99-W115 HydrophobicContact CB-CE3 3.95Å; R99-W115 HydrophobicContact CB-CG 4.46Å; R99-W115 HydrophobicContact CG-CE3 3.99Å; R99-W115 HydrophobicContact CG-CZ3 4.47Å; R99-W115 PolarHBondContact N-O 3.31Å; R99-W115 PolarHBondContact O-N 3.43Å; Q101-W115 HydrophobicContact CB-CH2 4.08Å; Q101-W115 HydrophobicContact CB-CZ3 3.67Å; K113-W115 HydrophobicContact CB-CH2 3.57Å; K113-W115 HydrophobicContact CB-CZ2 4.31Å; K113-W115 HydrophobicContact CB-CZ3 3.82Å; K113-W115 HydrophobicContact CD-CH2 4.17Å; K113-W115 WeakPolarHBondContact O-CZ3 3.49Å; W115-R129 VanDerWaalsContact CA-O 3.28Å; W115-R129 WeakPolarHBondContact CA-O 3.3Å; W115-E130 VanDerWaalsContact CD1-CA 3.47Å; W115-E130 HydrophobicContact CZ2-CG 4.3Å
116G97.1Very high94.3Very high0 Ų049.4 Ų49.40%026%0.263CS..EExtended strand (participates in β ladder)trans-164.3172.8178.300000112.3W95 R96 A128 R129W95-G116 VanDerWaalsContact CZ3-O 3.29Å; W95-G116 WeakPolarHBondContact CZ3-O 3.47Å; R96-G116 CarbonylContact O-C 3.44Å; R96-G116 WeakPolarHBondContact O-CA 3.46Å; G116-A128 CarbonylContact O-C 3.58Å; G116-A128 VanDerWaalsContact O-CA 3.24Å; G116-A128 WeakPolarHBondContact O-CA 3.44Å; G116-R129 PolarHBondContact N-O 3.5Å; G116-R129 PolarHBondContact O-N 2.89Å
117I97.4Very high94.4Very high42 Ų4256.2 Ų56.222%0.21529%0.294CS..EExtended strand (participates in β ladder)trans-92.4125.7170.6-59.3171000107.1W95 R96 T98 T124 E125 A128W95-I117 WeakPolarHBondContact CA-O 3.4Å; R96-I117 PolarHBondContact N-O 3.12Å; R96-I117 PolarHBondContact O-N 3.06Å; T98-I117 HydrophobicContact CG2-CD1 4.34Å; T98-I117 HydrophobicContact CG2-CG1 4.12Å; I117-T124 HydrophobicContact CG2-CG2 3.79Å; I117-E125 VanDerWaalsContact CG2-O 3.23Å; I117-E125 WeakPolarHBondContact CG2-O 3.32Å; I117-A128 HydrophobicContact CG1-CB 3.91Å
118L97.1Very high94.7Very high0 Ų049.8 Ų49.80%027%0.272CS..EExtended strand (participates in β ladder)trans-80.5134.4176.2178.962.1000109.7W85 W95 F120 E125 Y203 P204W85-L118 HydrophobicContact CH2-CD1 4.02Å; W85-L118 HydrophobicContact CZ3-CD1 4.47Å; W95-L118 HydrophobicContact CD2-CB 4.21Å; W95-L118 HydrophobicContact CD2-CD1 4.01Å; W95-L118 HydrophobicContact CE3-CB 3.83Å; W95-L118 HydrophobicContact CE3-CD1 4.5Å; W95-L118 HydrophobicContact CG-CD1 4.44Å; W95-L118 HydrophobicContact CH2-CB 3.71Å; W95-L118 HydrophobicContact CH2-CD1 4.42Å; W95-L118 HydrophobicContact CH2-CD2 4.36Å; W95-L118 HydrophobicContact CH2-CG 4.38Å; W95-L118 HydrophobicContact CZ2-CB 4.08Å; W95-L118 HydrophobicContact CZ2-CD1 3.9Å; W95-L118 HydrophobicContact CZ2-CD2 4.27Å; W95-L118 HydrophobicContact CZ2-CG 4.31Å; W95-L118 HydrophobicContact CZ3-CB 3.58Å; L118-F120 HydrophobicContact CD1-CB 4.18Å; L118-F120 HydrophobicContact CD2-CB 3.97Å; L118-F120 HydrophobicContact CG-CB 3.95Å; L118-E125 HydrophobicContact CB-CG 4.09Å; L118-E125 PolarHBondContact O-N 2.83Å; L118-Y203 HydrophobicContact CD2-CE1 4.43Å; L118-Y203 HydrophobicContact CD2-CE2 4.27Å; L118-P204 HydrophobicContact CD1-CG 4.04Å; L118-P204 HydrophobicContact CD2-CB 4.05Å; L118-P204 HydrophobicContact CD2-CG 3.6Å
119T96.3Very high94.8Very high4 Ų445.5 Ų45.53%0.02525%0.247CC..EExtended strand (participates in β ladder)trans-115.3113157.4-54.70000107.1C93 Y94 K123 T124C93-T119 CarbonylContact C-O 3.48Å; C93-T119 WeakPolarHBondContact CA-O 3.28Å; Y94-T119 HydrophobicContact CE1-CG2 3.89Å; Y94-T119 HydrophobicContact CE2-CG2 4.29Å; Y94-T119 VanDerWaalsContact CE2-OG1 3.27Å; Y94-T119 WeakPolarHBondContact CE2-OG1 3.4Å; Y94-T119 VanDerWaalsContact CZ-CB 3.46Å; Y94-T119 PolarHBondContact N-O 3.39Å; Y94-T119 PolarHBondContact O-N 2.79Å; Y94-T119 PolarHBondContact OH-OG1 2.75Å; T119-K123 CarbonylContact C-O 3.54Å; T119-K123 WeakPolarHBondContact CA-O 3.36Å; T119-T124 PolarHBondContact OG1-OG1 3.43Å
120F95.3Very high95Very high9 Ų943.3 Ų43.34%0.03924%0.235CC..EExtended strand (participates in β ladder)trans-119.2122.2-178.6-169.5-99.7000109.4H89 C93 L118 G122 K123 P200 Y203H89-F120 AromaticContact NE2-CZ 3.7Å; C93-F120 HydrophobicContact CB-CD2 4.31Å; L118-F120 HydrophobicContact CD1-CB 4.18Å; L118-F120 HydrophobicContact CD2-CB 3.97Å; L118-F120 HydrophobicContact CG-CB 3.95Å; F120-G122 PolarHBondContact O-N 3.46Å; F120-K123 PolarHBondContact N-O 3.15Å; F120-K123 WeakPolarHBondContact O-CB 3.43Å; F120-K123 PolarHBondContact O-N 3.21Å; F120-P200 HydrophobicContact CE1-CB 4.46Å; F120-P200 HydrophobicContact CE1-CG 4.07Å; F120-Y203 HydrophobicContact CB-CD2 4.36Å; F120-Y203 HydrophobicContact CB-CE2 3.88Å; F120-Y203 AromaticContact CD1-CD2 3.38Å; F120-Y203 HydrophobicContact CD1-CD2 3.38Å; F120-Y203 AromaticContact CD1-CE2 3.64Å; F120-Y203 HydrophobicContact CD1-CE2 3.64Å; F120-Y203 AromaticContact CE1-CD2 3.68Å; F120-Y203 HydrophobicContact CE1-CD2 3.68Å; F120-Y203 HydrophobicContact CE1-CE2 4.39Å; F120-Y203 AromaticContact CG-CD2 3.84Å; F120-Y203 HydrophobicContact CG-CD2 3.84Å; F120-Y203 AromaticContact CG-CE2 3.87Å; F120-Y203 HydrophobicContact CG-CE2 3.87Å; F120-Y203 HydrophobicContact CZ-CD2 4.36Å
121K92.7Very high95.1Very high63 Ų6342.1 Ų42.127%0.27423%0.229SC..THydrogen-bonded Turntrans50.245.4-173.9-56.6-169.9701790113E91 P92 C93 K123E91-K121 HydrophobicContact CB-CB 4.02Å; E91-K121 HydrophobicContact CB-CG 4.5Å; E91-K121 HydrophobicContact CG-CB 4.49Å; E91-K121 WeakPolarHBondContact OE1-CE 3.27Å; E91-K121 IonicContact OE1-NZ 3.75Å; E91-K121 PolarHBondContact OE1-NZ 3.35Å; E91-K121 WeakPolarHBondContact OE2-CE 3.5Å; E91-K121 IonicContact OE2-NZ 3.23Å; P92-K121 PolarHBondContact O-N 3.35Å; C93-K121 PolarHBondContact SG-N 3.22Å; K121-K123 PolarHBondContact O-N 3.32Å; K121-K123 VanDerWaalsContact O-N 3.15Å
122G92.1Very high95.1Very high23 Ų2342 Ų4224%0.23723%0.228CC..THydrogen-bonded Turntrans73.1-5.9-17700000116.1P92 F120P92-G122 PolarHBondContact O-N 3.36Å; P92-G122 VanDerWaalsContact O-N 3.08Å; F120-G122 PolarHBondContact O-N 3.46Å
123K92.5Very high95.1Very high116 Ų11643.4 Ų43.450%0.50423%0.232SC..EExtended strand (participates in β ladder)trans-90.8117.2176.3-61.7-177-178.1-175.70110.2T119 F120 K121 E158T119-K123 CarbonylContact C-O 3.54Å; T119-K123 WeakPolarHBondContact CA-O 3.36Å; F120-K123 PolarHBondContact N-O 3.15Å; F120-K123 WeakPolarHBondContact O-CB 3.43Å; F120-K123 PolarHBondContact O-N 3.21Å; K121-K123 PolarHBondContact O-N 3.32Å; K121-K123 VanDerWaalsContact O-N 3.15Å; K123-E158 WeakPolarHBondContact CE-OE1 3.38Å; K123-E158 VanDerWaalsContact NZ-CD 3.3Å; K123-E158 IonicContact NZ-OE1 3.35Å; K123-E158 PolarHBondContact NZ-OE1 3.21Å; K123-E158 IonicContact NZ-OE2 2.62Å; K123-E158 PolarHBondContact NZ-OE2 3.47Å
124T94.5Very high95.1Very high94 Ų9441.1 Ų41.158%0.57722%0.223SC*.EExtended strand (participates in β ladder)trans-89.7132-179.3-54.90000110.7I117 T119I117-T124 HydrophobicContact CG2-CG2 3.79Å; T119-T124 PolarHBondContact OG1-OG1 3.43Å
125E94.1Very high94.9Very high44 Ų4442.7 Ų42.721%0.20623%0.231CC..PPolyproline II helixtrans-73.3151.7171.5-69.1-174167.300111.5I117 L118 R129 Y203I117-E125 VanDerWaalsContact CG2-O 3.23Å; I117-E125 WeakPolarHBondContact CG2-O 3.32Å; L118-E125 HydrophobicContact CB-CG 4.09Å; L118-E125 PolarHBondContact O-N 2.83Å; E125-R129 IonicContact OE1-CZ 2.78Å; E125-R129 VanDerWaalsContact OE1-CZ 3.23Å; E125-R129 IonicContact OE1-NE 2.75Å; E125-R129 PolarHBondContact OE1-NE 3.1Å; E125-R129 IonicContact OE1-NH2 3.8Å; E125-R129 PolarHBondContact OE1-NH2 2.87Å; E125-R129 IonicContact OE2-CZ 3.24Å; E125-R129 IonicContact OE2-NE 3.7Å; E125-R129 PolarHBondContact OE2-NE 2.85Å; E125-R129 IonicContact OE2-NH2 3.88Å; E125-Y203 PolarHBondContact OE1-OH 3.4Å
126S93.1Very high94.8Very high119 Ų11946.2 Ų46.283%0.83224%0.244SC*.SBendtrans-75.7-31.8-178.953.80000113.6
127E94.8Very high94.8Very high150 Ų15047 Ų4770%0.70125%0.248SC*.SBendtrans-121.8151.4-172.3-65.7-173.917500111.7
128A95.1Very high94.8Very high49 Ų4945.5 Ų45.541%0.40524%0.24SC..  trans-80134.1173.500000110.5T98 G116 I117T98-A128 HydrophobicContact CG2-CB 4.05Å; T98-A128 WeakPolarHBondContact OG1-CB 3.14Å; G116-A128 CarbonylContact O-C 3.58Å; G116-A128 VanDerWaalsContact O-CA 3.24Å; G116-A128 WeakPolarHBondContact O-CA 3.44Å; I117-A128 HydrophobicContact CG1-CB 3.91Å
129R95.4Very high94.8Very high29 Ų2945.6 Ų45.611%0.10924%0.241CC..EExtended strand (participates in β ladder)trans-128.9167.7177.162177.3172.3141.4-4.3112.5W95 W115 G116 E125 I131 P204W95-R129 HydrophobicContact CH2-CG 3.78Å; W95-R129 HydrophobicContact CZ3-CG 3.83Å; W115-R129 VanDerWaalsContact CA-O 3.28Å; W115-R129 WeakPolarHBondContact CA-O 3.3Å; G116-R129 PolarHBondContact N-O 3.5Å; G116-R129 PolarHBondContact O-N 2.89Å; E125-R129 IonicContact OE1-CZ 2.78Å; E125-R129 VanDerWaalsContact OE1-CZ 3.23Å; E125-R129 IonicContact OE1-NE 2.75Å; E125-R129 PolarHBondContact OE1-NE 3.1Å; E125-R129 IonicContact OE1-NH2 3.8Å; E125-R129 PolarHBondContact OE1-NH2 2.87Å; E125-R129 IonicContact OE2-CZ 3.24Å; E125-R129 IonicContact OE2-NE 3.7Å; E125-R129 PolarHBondContact OE2-NE 2.85Å; E125-R129 IonicContact OE2-NH2 3.88Å; R129-I131 PolarHBondContact O-N 2.93Å; R129-P204 PolarHBondContact NH1-O 2.82Å; R129-P204 PolarHBondContact NH2-O 3Å
130E96.3Very high94.9Very high23 Ų2349.9 Ų49.911%0.10726%0.257CS..EExtended strand (participates in β ladder)trans-67.1128.4178.2-171.3171.6169.800110K113 W115 Q207K113-E130 IonicContact NZ-OE1 3.56Å; K113-E130 PolarHBondContact NZ-OE1 2.7Å; K113-E130 IonicContact NZ-OE2 2.69Å; W115-E130 VanDerWaalsContact CD1-CA 3.47Å; W115-E130 HydrophobicContact CZ2-CG 4.3Å; E130-Q207 HydrophobicContact CB-CB 4.07Å; E130-Q207 HydrophobicContact CG-CB 3.98Å; E130-Q207 HydrophobicContact CG-CG 3.88Å
131I95.9Very high94.9Very high2 Ų251.9 Ų51.91%0.0127%0.267CS..PPolyproline II helixtrans-75.9127.6179.7-58.9-179.1000108.5W95 L97 A114 R129 V134 W139W95-I131 HydrophobicContact CB-CD1 3.86Å; W95-I131 HydrophobicContact CD2-CD1 3.96Å; W95-I131 HydrophobicContact CD2-CG1 3.76Å; W95-I131 HydrophobicContact CD2-CG2 4.38Å; W95-I131 HydrophobicContact CE3-CD1 4.11Å; W95-I131 HydrophobicContact CE3-CG1 3.74Å; W95-I131 HydrophobicContact CG-CD1 3.89Å; W95-I131 HydrophobicContact CG-CG1 4.18Å; W95-I131 HydrophobicContact CG-CG2 4.45Å; W95-I131 HydrophobicContact CZ3-CG1 4.11Å; L97-I131 HydrophobicContact CD2-CD1 3.71Å; A114-I131 HydrophobicContact CB-CB 4.46Å; A114-I131 HydrophobicContact CB-CD1 4Å; A114-I131 HydrophobicContact CB-CG1 4.49Å; A114-I131 PolarHBondContact O-N 2.6Å; R129-I131 PolarHBondContact O-N 2.93Å; I131-V134 HydrophobicContact CB-CG2 4.13Å; I131-V134 HydrophobicContact CG2-CG2 4.03Å; I131-V134 VanDerWaalsContact O-CG2 3.27Å; I131-V134 WeakPolarHBondContact O-CG2 3.47Å; I131-W139 HydrophobicContact CG2-CH2 3.4Å; I131-W139 HydrophobicContact CG2-CZ2 3.76Å; I131-W139 HydrophobicContact CG2-CZ3 4.41Å
132E93.4Very high95.1Very high10 Ų1049.2 Ų49.25%0.04726%0.256CS..SBendtrans-83.6168.2172.561.9168.6-156.600112.5V134 W139 P204 A205 Q207 K210E132-V134 PolarHBondContact O-N 3.45Å; E132-W139 WeakPolarHBondContact O-CZ2 3.5Å; E132-P204 HydrophobicContact CG-CB 4.38Å; E132-P204 WeakPolarHBondContact OE1-CA 3.31Å; E132-A205 PolarHBondContact OE1-N 3.13Å; E132-A205 PolarHBondContact OE2-N 2.95Å; E132-Q207 HydrophobicContact CB-CB 4.04Å; E132-Q207 HydrophobicContact CB-CG 4.38Å; E132-Q207 VanDerWaalsContact CB-OE1 3.31Å; E132-K210 IonicContact OE2-NZ 2.78Å; E132-K210 PolarHBondContact OE2-NZ 3.36Å
133H94.2Very high95.3Very high40 Ų4050.2 Ų50.219%0.18526%0.259CS..  trans56.223.4174.2-54.8137.1000114.9M135 Y136 W139H133-M135 PolarHBondContact O-N 3.48Å; H133-M135 VanDerWaalsContact O-N 3.1Å; H133-Y136 HydrophobicContact CB-CD1 3.91Å; H133-Y136 HydrophobicContact CB-CD2 3.95Å; H133-Y136 HydrophobicContact CB-CE1 4.24Å; H133-Y136 HydrophobicContact CB-CE2 4.26Å; H133-Y136 HydrophobicContact CB-CG 3.78Å; H133-Y136 AromaticContact CD2-CE1 3.6Å; H133-Y136 AromaticContact CD2-CE2 3.71Å; H133-Y136 AromaticContact CD2-CZ 3.33Å; H133-Y136 AromaticContact CG-CE2 3.92Å; H133-Y136 AromaticContact CG-CZ 3.97Å; H133-Y136 AromaticContact NE2-CZ 3.96Å; H133-Y136 VanDerWaalsContact O-CB 3.3Å; H133-Y136 WeakPolarHBondContact O-CB 3.44Å; H133-Y136 PolarHBondContact O-N 3.11Å; H133-W139 PolarHBondContact O-NE1 3.36Å
134V95.3Very high95.3Very high12 Ų1251.6 Ų51.67%0.07327%0.265CS..THydrogen-bonded Turntrans-53.8-33.5177.7171.40000112.6L64 F65 G112 I131 E132 Y136L64-V134 HydrophobicContact CB-CG1 4.17Å; L64-V134 HydrophobicContact CD2-CG1 4.17Å; L64-V134 HydrophobicContact CD2-CG2 4.14Å; L64-V134 PolarHBondContact N-O 3Å; F65-V134 HydrophobicContact CD2-CG1 3.45Å; F65-V134 VanDerWaalsContact CD2-CG1 3.45Å; F65-V134 HydrophobicContact CE2-CG1 3.5Å; F65-V134 VanDerWaalsContact CE2-CG1 3.5Å; G112-V134 WeakPolarHBondContact O-CG1 3.49Å; I131-V134 HydrophobicContact CB-CG2 4.13Å; I131-V134 HydrophobicContact CG2-CG2 4.03Å; I131-V134 VanDerWaalsContact O-CG2 3.27Å; I131-V134 WeakPolarHBondContact O-CG2 3.47Å; E132-V134 PolarHBondContact O-N 3.45Å; V134-Y136 VanDerWaalsContact C-N 3.31Å; V134-Y136 PolarHBondContact O-N 3.29Å
135M93.8Very high95.3Very high34 Ų3454.1 Ų54.117%0.16727%0.27CS..THydrogen-bonded Turntrans-81.4-4.4179.973.6-68.2-84.700114.5Y34 H133Y34-M135 HydrophobicContact CD1-CB 4.21Å; Y34-M135 HydrophobicContact CD1-CE 4.18Å; Y34-M135 HydrophobicContact CD1-CG 3.8Å; Y34-M135 HydrophobicContact CD2-CB 4.16Å; Y34-M135 HydrophobicContact CD2-CE 4.37Å; Y34-M135 HydrophobicContact CD2-CG 4.49Å; Y34-M135 HydrophobicContact CE1-CE 3.59Å; Y34-M135 HydrophobicContact CE1-CG 4.15Å; Y34-M135 HydrophobicContact CE2-CE 3.82Å; Y34-M135 HydrophobicContact CG-CB 3.85Å; Y34-M135 HydrophobicContact CG-CG 3.98Å; H133-M135 PolarHBondContact O-N 3.48Å; H133-M135 VanDerWaalsContact O-N 3.1Å
136Y95.4Very high95.3Very high107 Ų10756.8 Ų56.842%0.4228%0.282SS..SBendtrans-78.3147.5-177.6-76.730.4000110R63 H133 V134 D138 W139R63-Y136 WeakPolarHBondContact CA-O 3.41Å; H133-Y136 HydrophobicContact CB-CD1 3.91Å; H133-Y136 HydrophobicContact CB-CD2 3.95Å; H133-Y136 HydrophobicContact CB-CE1 4.24Å; H133-Y136 HydrophobicContact CB-CE2 4.26Å; H133-Y136 HydrophobicContact CB-CG 3.78Å; H133-Y136 AromaticContact CD2-CE1 3.6Å; H133-Y136 AromaticContact CD2-CE2 3.71Å; H133-Y136 AromaticContact CD2-CZ 3.33Å; H133-Y136 AromaticContact CG-CE2 3.92Å; H133-Y136 AromaticContact CG-CZ 3.97Å; H133-Y136 AromaticContact NE2-CZ 3.96Å; H133-Y136 VanDerWaalsContact O-CB 3.3Å; H133-Y136 WeakPolarHBondContact O-CB 3.44Å; H133-Y136 PolarHBondContact O-N 3.11Å; V134-Y136 VanDerWaalsContact C-N 3.31Å; V134-Y136 PolarHBondContact O-N 3.29Å; Y136-D138 VanDerWaalsContact C-N 3.33Å; Y136-D138 PolarHBondContact O-N 3.15Å; Y136-W139 VanDerWaalsContact O-CD1 3.24Å
137H96.6Very high95.3Very high18 Ų1853 Ų538%0.08325%0.252CS..THydrogen-bonded Turntrans-87.377.7170.5-60.977.6000108.6Y38 D57 V58 E61 R63Y38-H137 AromaticContact CE1-NE2 3.53Å; Y38-H137 AromaticContact CZ-NE2 3.73Å; Y38-H137 PolarHBondContact OH-NE2 3.48Å; Y38-H137 VanDerWaalsContact OH-NE2 3.08Å; D57-H137 WeakPolarHBondContact CB-O 3.39Å; V58-H137 HydrophobicContact CB-CB 4.48Å; V58-H137 HydrophobicContact CG2-CB 4.3Å; V58-H137 PolarHBondContact O-CD2 3.15Å; V58-H137 VanDerWaalsContact O-CD2 3.31Å; E61-H137 HydrophobicContact CB-CB 4.4Å; E61-H137 WeakPolarHBondContact CB-O 3.49Å; R63-H137 PolarHBondContact NE-CE1 3.4Å
138D97.1Very high95.2Very high9 Ų954 Ų545%0.04826%0.256CS..THydrogen-bonded Turntrans-151.8-2.6-175-17328.8000111.5S62 R82 K83 S84 Y136S62-D138 PolarHBondContact O-N 3.36Å; R82-D138 CarbonylContact C-O 3.6Å; R82-D138 WeakPolarHBondContact CA-O 3.42Å; R82-D138 IonicContact CZ-OD2 3.23Å; R82-D138 VanDerWaalsContact CZ-OD2 3.28Å; R82-D138 IonicContact NE-OD2 2.77Å; R82-D138 PolarHBondContact NE-OD2 2.99Å; R82-D138 IonicContact NH2-OD2 3.14Å; R82-D138 PolarHBondContact NH2-OD2 2.95Å; K83-D138 WeakPolarHBondContact CB-OD1 3.41Å; K83-D138 PolarHBondContact N-O 3.3Å; K83-D138 PolarHBondContact N-OD1 3.11Å; S84-D138 WeakPolarHBondContact CB-OD2 3.36Å; S84-D138 PolarHBondContact N-OD1 3.32Å; S84-D138 PolarHBondContact OG-OD1 3.31Å; S84-D138 PolarHBondContact OG-OD2 3.47Å; Y136-D138 VanDerWaalsContact C-N 3.33Å; Y136-D138 PolarHBondContact O-N 3.15Å
139W97.8Very high95.1Very high2 Ų255.3 Ų55.31%0.00827%0.267CS..EExtended strand (participates in β ladder)trans-88.2143.4-171.2-66.792.4000111.5S62 L64 L67 V80 R82 W95 I131 E132 H133 Y136S62-W139 PolarHBondContact O-N 3.34Å; L64-W139 HydrophobicContact CB-CB 4.38Å; L64-W139 HydrophobicContact CB-CD2 4.01Å; L64-W139 HydrophobicContact CB-CG 3.8Å; L64-W139 HydrophobicContact CD1-CD2 4.1Å; L64-W139 HydrophobicContact CD1-CE3 4.01Å; L64-W139 HydrophobicContact CD1-CG 4.32Å; L64-W139 HydrophobicContact CG-CD2 4.47Å; L67-W139 HydrophobicContact CD1-CB 4.08Å; V80-W139 HydrophobicContact CB-CE3 4.24Å; V80-W139 HydrophobicContact CB-CZ3 4.49Å; V80-W139 HydrophobicContact CG2-CE3 4.08Å; V80-W139 HydrophobicContact CG2-CZ3 3.9Å; R82-W139 HydrophobicContact CG-CD2 4.06Å; R82-W139 HydrophobicContact CG-CE3 3.78Å; R82-W139 HydrophobicContact CG-CH2 4.13Å; R82-W139 HydrophobicContact CG-CZ2 4.38Å; R82-W139 HydrophobicContact CG-CZ3 3.83Å; W95-W139 AromaticContact CD1-CH2 3.78Å; W95-W139 AromaticContact CD1-CZ3 3.79Å; W95-W139 AromaticContact NE1-CH2 3.99Å; I131-W139 HydrophobicContact CG2-CH2 3.4Å; I131-W139 HydrophobicContact CG2-CZ2 3.76Å; I131-W139 HydrophobicContact CG2-CZ3 4.41Å; E132-W139 WeakPolarHBondContact O-CZ2 3.5Å; H133-W139 PolarHBondContact O-NE1 3.36Å; Y136-W139 VanDerWaalsContact O-CD1 3.24Å
140R96.8Very high94.9Very high95 Ų9556.4 Ų56.436%0.35827%0.273SS..EExtended strand (participates in β ladder)trans-133.9141.9172.2-66-175.2176.4-178.6-0.8109.8E61 V80 T81E61-R140 IonicContact OE1-CZ 3.61Å; E61-R140 IonicContact OE1-NE 3.57Å; E61-R140 IonicContact OE1-NH2 3.9Å; E61-R140 PolarHBondContact OE1-NH2 3.09Å; E61-R140 IonicContact OE2-CZ 2.74Å; E61-R140 IonicContact OE2-NE 3.67Å; E61-R140 PolarHBondContact OE2-NE 2.94Å; E61-R140 IonicContact OE2-NH2 3.71Å; E61-R140 PolarHBondContact OE2-NH2 3.18Å; V80-R140 WeakPolarHBondContact CA-O 3.42Å; T81-R140 HydrophobicContact CG2-CB 4.11Å; T81-R140 PolarHBondContact N-O 3.38Å; T81-R140 PolarHBondContact O-N 3.08Å
141L96.7Very high94.8Very high50 Ų5058 Ų5826%0.26228%0.284SS..EExtended strand (participates in β ladder)trans-91.7131.2177.1179.171.5000108.8L67 L71 R78 V80 P143L67-L141 HydrophobicContact CD1-CB 4.3Å; L71-L141 HydrophobicContact CD1-CD1 4.04Å; L71-L141 HydrophobicContact CD1-CD2 3.82Å; L71-L141 HydrophobicContact CD2-CD2 4.29Å; R78-L141 HydrophobicContact CB-CD1 4.25Å; V80-L141 HydrophobicContact CG1-CD1 3.9Å; L141-P143 WeakPolarHBondContact O-CD 3.5Å
142V95.9Very high94.6Very high7 Ų761.6 Ų61.64%0.04231%0.314CS..PPolyproline II helixtrans-77.6123.7173.8-173.90000108.7R78 L79 T81 E147 F150R78-V142 PolarHBondContact NH2-O 2.95Å; L79-V142 HydrophobicContact CB-CB 4.03Å; L79-V142 HydrophobicContact CB-CG2 3.97Å; L79-V142 PolarHBondContact O-N 3.04Å; L79-V142 VanDerWaalsContact O-N 3.08Å; T81-V142 HydrophobicContact CG2-CG2 4.13Å; V142-E147 HydrophobicContact CB-CG 4.23Å; V142-E147 HydrophobicContact CG1-CB 4.46Å; V142-E147 HydrophobicContact CG1-CG 3.77Å; V142-F150 HydrophobicContact CG1-CB 4.18Å; V142-F150 HydrophobicContact CG1-CD1 4.36Å; V142-F150 HydrophobicContact CG1-CG 4.3Å; V142-F150 HydrophobicContact CG2-CD1 4.12Å; V142-F150 HydrophobicContact CG2-CE1 4.17Å
143P95.6Very high94.6Very high45 Ų4564.7 Ų64.729%0.29233%0.328SS..PPolyproline II helixtrans-64142.4175.1-21.434.1000111.6L141 H145 E146 E147L141-P143 WeakPolarHBondContact O-CD 3.5Å; P143-H145 VanDerWaalsContact C-N 3.27Å; P143-H145 WeakPolarHBondContact CB-CE1 3.35Å; P143-H145 PolarHBondContact O-N 3.1Å; P143-E146 HydrophobicContact CB-CB 4.44Å; P143-E146 PolarHBondContact O-N 3.07Å; P143-E147 WeakPolarHBondContact O-CG 3.3Å; P143-E147 PolarHBondContact O-N 3.07Å; P143-E147 VanDerWaalsContact O-N 3.1Å
144K93.4Very high94.4Very high144 Ų14468.8 Ų68.863%0.62636%0.356SS*.THydrogen-bonded Turntrans-56.8-38-174.6-73-172.1175-174.90113.8E146 E147K144-E146 PolarHBondContact O-N 3.32Å; K144-E147 PolarHBondContact O-N 3.09Å
145H94Very high94Very high148 Ų14872.7 Ų72.769%0.68538%0.381SS*.THydrogen-bonded Turntrans-73.5-16.5-179.564-83.3000113P143P143-H145 VanDerWaalsContact C-N 3.27Å; P143-H145 WeakPolarHBondContact CB-CE1 3.35Å; P143-H145 PolarHBondContact O-N 3.1Å
146E93.9Very high93.7Very high99 Ų9974.4 Ų74.446%0.46340%0.401SS..THydrogen-bonded Turntrans-101-8.9176.6-80.8161.4-143.500112.6P143 K144 E148 A149 F150P143-E146 HydrophobicContact CB-CB 4.44Å; P143-E146 PolarHBondContact O-N 3.07Å; K144-E146 PolarHBondContact O-N 3.32Å; E146-E148 VanDerWaalsContact C-N 3.31Å; E146-E148 PolarHBondContact O-N 3.31Å; E146-A149 PolarHBondContact O-N 3.47Å; E146-F150 VanDerWaalsContact O-CB 3.25Å; E146-F150 WeakPolarHBondContact O-CB 3.48Å; E146-F150 PolarHBondContact O-N 3Å
147E93.1Very high93.1Very high41 Ų4174.5 Ų74.519%0.19242%0.415CS..Hα-helixtrans-59-40.1-175.4-79.3177.3-171.700112.4R78 L79 V142 P143 K144 T151R78-E147 IonicContact CZ-OE1 2.85Å; R78-E147 IonicContact NE-OE1 2.6Å; R78-E147 PolarHBondContact NE-OE1 3.47Å; R78-E147 IonicContact NH2-OE1 2.7Å; L79-E147 HydrophobicContact CD1-CB 4.26Å; L79-E147 HydrophobicContact CD1-CG 4.1Å; L79-E147 HydrophobicContact CG-CG 4.28Å; V142-E147 HydrophobicContact CB-CG 4.23Å; V142-E147 HydrophobicContact CG1-CB 4.46Å; V142-E147 HydrophobicContact CG1-CG 3.77Å; P143-E147 WeakPolarHBondContact O-CG 3.3Å; P143-E147 PolarHBondContact O-N 3.07Å; P143-E147 VanDerWaalsContact O-N 3.1Å; K144-E147 PolarHBondContact O-N 3.09Å; E147-T151 VanDerWaalsContact O-CB 3.28Å; E147-T151 WeakPolarHBondContact O-CB 3.35Å; E147-T151 PolarHBondContact O-N 2.97Å; E147-T151 PolarHBondContact O-OG1 2.62Å
148E92.7Very high92.3Very high169 Ų16980 Ų8079%0.7944%0.44SS*.Hα-helixtrans-68.7-47.2178.4-171.1173-172.300111.8E146 F150 T151 A152E146-E148 VanDerWaalsContact C-N 3.31Å; E146-E148 PolarHBondContact O-N 3.31Å; E148-F150 VanDerWaalsContact C-N 3.32Å; E148-F150 PolarHBondContact O-N 3.26Å; E148-T151 PolarHBondContact O-N 2.65Å; E148-A152 PolarHBondContact O-N 3.15Å
149A93.1Very high91.4Very high77 Ų7787 Ų8764%0.63648%0.478SS*.Hα-helixtrans-64.4-37.4178.100000112.1E146E146-A149 PolarHBondContact O-N 3.47Å
150F92.7Very high90.6Very high53 Ų5391.1 Ų91.123%0.23251%0.507CS..Hα-helixtrans-71.4-32.7177.5-173.8-100.1000112.3T81 L86 P92 Y94 V142 E146 E148T81-F150 HydrophobicContact CG2-CZ 4.36Å; L86-F150 HydrophobicContact CD2-CE2 3.73Å; L86-F150 HydrophobicContact CD2-CZ 4Å; P92-F150 HydrophobicContact CB-CD1 4.48Å; P92-F150 HydrophobicContact CB-CE1 4.26Å; P92-F150 WeakPolarHBondContact CB-O 3.43Å; Y94-F150 HydrophobicContact CD1-CD1 4.01Å; Y94-F150 AromaticContact CD1-CE1 3.6Å; Y94-F150 HydrophobicContact CD1-CE1 3.6Å; Y94-F150 HydrophobicContact CE1-CE1 4.49Å; Y94-F150 HydrophobicContact CG-CE1 4.2Å; V142-F150 HydrophobicContact CG1-CB 4.18Å; V142-F150 HydrophobicContact CG1-CD1 4.36Å; V142-F150 HydrophobicContact CG1-CG 4.3Å; V142-F150 HydrophobicContact CG2-CD1 4.12Å; V142-F150 HydrophobicContact CG2-CE1 4.17Å; E146-F150 VanDerWaalsContact O-CB 3.25Å; E146-F150 WeakPolarHBondContact O-CB 3.48Å; E146-F150 PolarHBondContact O-N 3Å; E148-F150 VanDerWaalsContact C-N 3.32Å; E148-F150 PolarHBondContact O-N 3.26Å
151T93.1Very high90Very high56 Ų5692.6 Ų92.634%0.34452%0.521SS..Hα-helixtrans-81.3-19.9178.8-54.80000112.3Y94 E147 E148 F153Y94-T151 HydrophobicContact CE1-CG2 4.45Å; Y94-T151 VanDerWaalsContact OH-CG2 3.32Å; Y94-T151 WeakPolarHBondContact OH-CG2 3.35Å; E147-T151 VanDerWaalsContact O-CB 3.28Å; E147-T151 WeakPolarHBondContact O-CB 3.35Å; E147-T151 PolarHBondContact O-N 2.97Å; E147-T151 PolarHBondContact O-OG1 2.62Å; E148-T151 PolarHBondContact O-N 2.65Å; T151-F153 PolarHBondContact O-N 3.21Å; T151-F153 VanDerWaalsContact O-N 3.08Å
152A92.4Very high89.5Confident78 Ų7891.9 Ų91.965%0.64552%0.523SS*.  trans-61113.3178.400000110.6E148E148-A152 PolarHBondContact O-N 3.15Å
153F91.9Very high89.2Confident75 Ų7593.9 Ų93.933%0.32954%0.537SS..  trans-142.5133.3-179.7173.4-111.8000110.2E91 P92 T151 P155E91-F153 HydrophobicContact CB-CD2 4.37Å; E91-F153 HydrophobicContact CB-CE2 3.94Å; E91-F153 HydrophobicContact CB-CZ 4.5Å; E91-F153 HydrophobicContact CG-CD2 4.4Å; E91-F153 HydrophobicContact CG-CE2 3.57Å; E91-F153 HydrophobicContact CG-CZ 4.1Å; P92-F153 HydrophobicContact CG-CB 3.78Å; P92-F153 HydrophobicContact CG-CD2 4.48Å; P92-F153 HydrophobicContact CG-CG 4.24Å; T151-F153 PolarHBondContact O-N 3.21Å; T151-F153 VanDerWaalsContact O-N 3.08Å; F153-P155 HydrophobicContact CE1-CB 3.94Å
154T90.1Very high89.1Confident126 Ų12693.8 Ų93.877%0.77354%0.535SS*.  trans-103.8115.2171.1-52.30000108.1A156T154-A156 PolarHBondContact O-N 3.3Å
155P88.4Confident89.2Confident93 Ų9391.4 Ų91.460%0.60453%0.534SS*.PPolyproline II helixtrans-64.9124.5-179.926.3-32.8000110F153F153-P155 HydrophobicContact CE1-CB 3.94Å
156A86.3Confident89.2Confident71 Ų7187.8 Ų87.859%0.58752%0.515SS*.PPolyproline II helixtrans-65.9147.7169.700000110T154 E158T154-A156 PolarHBondContact O-N 3.3Å; A156-E158 PolarHBondContact O-N 3.41Å
157P84.4Confident89.3Confident109 Ų10986.5 Ų86.571%0.70852%0.516SS*.PPolyproline II helixtrans-60.8126.5174.624.5-31.7000110.2D159P157-D159 PolarHBondContact O-N 3.13Å; P157-D159 VanDerWaalsContact O-N 3.08Å
158E77.9Confident89.4Confident133 Ų13390 Ų9062%0.62154%0.542SS*.  trans-85.660.9179.8-67.6-175.3-165.500111.3K123 A156 S160K123-E158 WeakPolarHBondContact CE-OE1 3.38Å; K123-E158 VanDerWaalsContact NZ-CD 3.3Å; K123-E158 IonicContact NZ-OE1 3.35Å; K123-E158 PolarHBondContact NZ-OE1 3.21Å; K123-E158 IonicContact NZ-OE2 2.62Å; K123-E158 PolarHBondContact NZ-OE2 3.47Å; A156-E158 PolarHBondContact O-N 3.41Å; E158-S160 VanDerWaalsContact C-N 3.3Å; E158-S160 PolarHBondContact O-N 2.95Å
159D78.8Confident89.6Confident156 Ų15688.2 Ų88.283%0.83454%0.537SS*.  trans-81.580.2174.3-70.8-27.7000109.9P157P157-D159 PolarHBondContact O-N 3.13Å; P157-D159 VanDerWaalsContact O-N 3.08Å
160S80.9Confident89.7Confident89 Ų8988.4 Ų88.462%0.62253%0.527SS*.  trans-93.8147176.564.80000112.3E158 A162E158-S160 VanDerWaalsContact C-N 3.3Å; E158-S160 PolarHBondContact O-N 2.95Å; S160-A162 PolarHBondContact O-N 3.25Å; S160-A162 VanDerWaalsContact O-N 3.16Å
161L84.7Confident89.8Confident126 Ų12690.1 Ų90.166%0.6653%0.532SS*.  trans-58.1117.8173.9-173.872000110.4S163 V164 V193L161-S163 WeakPolarHBondContact CG-O 3.49Å; L161-V164 HydrophobicContact CD2-CG1 3.52Å; L161-V164 HydrophobicContact CG-CG1 4.39Å; L161-V193 WeakPolarHBondContact O-CG2 3.38Å
162A86.4Confident89.8Confident35 Ų3590.1 Ų90.129%0.28954%0.537SS..  trans-82-29.1-176.800000113.4S160 N192 V193 Q194S160-A162 PolarHBondContact O-N 3.25Å; S160-A162 VanDerWaalsContact O-N 3.16Å; A162-N192 WeakPolarHBondContact O-CA 3.41Å; A162-N192 PolarHBondContact O-OD1 3.38Å; A162-V193 WeakPolarHBondContact O-CG2 3.38Å; A162-V193 PolarHBondContact O-N 3.1Å; A162-Q194 HydrophobicContact CB-CB 4.29Å; A162-Q194 PolarHBondContact O-N 2.9Å
163S90.2Very high90Very high49 Ų4991 Ų9134%0.34353%0.529SS..EExtended strand (participates in β ladder)trans-139.1135.8-170.8-670000111.6L161 L191L161-S163 WeakPolarHBondContact CG-O 3.49Å; S163-L191 WeakPolarHBondContact CA-O 3.09Å
164V92.9Very high90Very high42 Ų4289.5 Ų89.526%0.25552%0.524SS..EExtended strand (participates in β ladder)trans-122.9153.2176.5-62.10000111.2L161 M190 L191 V193L161-V164 HydrophobicContact CD2-CG1 3.52Å; L161-V164 HydrophobicContact CG-CG1 4.39Å; V164-M190 CarbonylContact O-C 3.58Å; V164-M190 WeakPolarHBondContact O-CA 3.5Å; V164-L191 HydrophobicContact CG2-CB 3.95Å; V164-L191 HydrophobicContact CG2-CD2 4.15Å; V164-L191 PolarHBondContact N-O 3.11Å; V164-L191 PolarHBondContact O-N 3.16Å; V164-V193 HydrophobicContact CG1-CG1 4.22Å; V164-V193 HydrophobicContact CG1-CG2 4.11Å; V164-V193 HydrophobicContact CG2-CG1 3.65Å
165P94.2Very high90.2Very high94 Ų9485.6 Ų85.661%0.6150%0.498SS*.EExtended strand (participates in β ladder)trans-66.6148.6176-15.129000112M190P165-M190 HydrophobicContact CB-SD 4.29Å; P165-M190 HydrophobicContact CG-CE 4.41Å; P165-M190 HydrophobicContact CG-SD 4.3Å
166Y94.1Very high90.4Very high73 Ų7383.8 Ų83.829%0.28649%0.491SS..PPolyproline II helixtrans-67.3149.9166.5-81.2-87.5000111.2L170 I174 P189 M190 L191Y166-L170 HydrophobicContact CD1-CB 4.18Å; Y166-L170 HydrophobicContact CD1-CD1 4.32Å; Y166-I174 HydrophobicContact CD1-CD1 4.16Å; Y166-I174 HydrophobicContact CD2-CD1 4.03Å; Y166-I174 HydrophobicContact CE1-CD1 4.26Å; Y166-I174 HydrophobicContact CE2-CD1 4.13Å; Y166-I174 HydrophobicContact CG-CD1 4.05Å; Y166-P189 HydrophobicContact CD2-CB 3.96Å; Y166-P189 WeakPolarHBondContact CD2-O 3.5Å; Y166-P189 HydrophobicContact CE2-CB 4.29Å; Y166-M190 VanDerWaalsContact CE2-C 3.49Å; Y166-L191 HydrophobicContact CD1-CD1 4.41Å; Y166-L191 HydrophobicContact CD2-CB 4.43Å; Y166-L191 HydrophobicContact CE1-CB 4.27Å; Y166-L191 HydrophobicContact CE1-CD1 3.89Å; Y166-L191 HydrophobicContact CE1-CG 4.47Å; Y166-L191 HydrophobicContact CE2-CB 4.03Å
167P96.5Very high90.7Very high72 Ų7286 Ų8647%0.46849%0.489SS..PPolyproline II helixtrans-62.7155.8173.227.6-34.6000110.9L169 L170 R171P167-L169 VanDerWaalsContact C-N 3.33Å; P167-L169 PolarHBondContact O-N 3.44Å; P167-L169 VanDerWaalsContact O-N 3.11Å; P167-L170 HydrophobicContact CG-CB 4.16Å; P167-L170 HydrophobicContact CG-CD1 3.81Å; P167-L170 HydrophobicContact CG-CG 4.13Å; P167-L170 PolarHBondContact O-N 3.47Å; P167-L170 VanDerWaalsContact O-N 3.11Å; P167-R171 PolarHBondContact O-N 3Å
168P95.9Very high91Very high115 Ų11583.7 Ų83.775%0.74747%0.466SS*.Hα-helixtrans-52.9-43.1-165.1-3035.3000115.2A172P168-A172 PolarHBondContact O-N 3.4Å; P168-A172 VanDerWaalsContact O-N 3.12Å
169L96.3Very high91.6Very high130 Ų13084.5 Ų84.568%0.68147%0.47SS*.Hα-helixtrans-66.2-49.4-179.3-179.662.3000112P167 R171 A172 M173P167-L169 VanDerWaalsContact C-N 3.33Å; P167-L169 PolarHBondContact O-N 3.44Å; P167-L169 VanDerWaalsContact O-N 3.11Å; L169-R171 VanDerWaalsContact C-N 3.33Å; L169-R171 PolarHBondContact O-N 3.24Å; L169-A172 PolarHBondContact O-N 3.48Å; L169-M173 HydrophobicContact CD1-SD 4.44Å; L169-M173 HydrophobicContact CG-SD 4.19Å; L169-M173 WeakPolarHBondContact O-CG 3.29Å; L169-M173 PolarHBondContact O-N 2.9Å
170L95.4Very high92.3Very high82 Ų8285.7 Ų85.743%0.42947%0.468SS..Hα-helixtrans-65.4-39.2-179.3-69.1-179.4000111.4Y166 P167 A172 M173 I174Y166-L170 HydrophobicContact CD1-CB 4.18Å; Y166-L170 HydrophobicContact CD1-CD1 4.32Å; P167-L170 HydrophobicContact CG-CB 4.16Å; P167-L170 HydrophobicContact CG-CD1 3.81Å; P167-L170 HydrophobicContact CG-CG 4.13Å; P167-L170 PolarHBondContact O-N 3.47Å; P167-L170 VanDerWaalsContact O-N 3.11Å; L170-A172 PolarHBondContact O-N 3.27Å; L170-M173 HydrophobicContact CD2-SD 4.38Å; L170-M173 PolarHBondContact O-N 2.71Å; L170-I174 WeakPolarHBondContact O-CD1 3.43Å; L170-I174 VanDerWaalsContact O-CG1 3.24Å; L170-I174 WeakPolarHBondContact O-CG1 3.46Å; L170-I174 PolarHBondContact O-N 3.21Å
171R95.3Very high92.8Very high89 Ų8987.8 Ų87.834%0.33647%0.472SS..Hα-helixtrans-56.4-49.4173.7176.9177.3174.1-84-0.4111.4P167 L169 M173 I174 L175 E188 P189P167-R171 PolarHBondContact O-N 3Å; L169-R171 VanDerWaalsContact C-N 3.33Å; L169-R171 PolarHBondContact O-N 3.24Å; R171-M173 PolarHBondContact O-N 2.92Å; R171-I174 PolarHBondContact O-N 3Å; R171-L175 HydrophobicContact CG-CD1 4.2Å; R171-L175 WeakPolarHBondContact O-CG 3.45Å; R171-L175 PolarHBondContact O-N 2.85Å; R171-L175 VanDerWaalsContact O-N 3.12Å; R171-E188 IonicContact CZ-OE1 3.26Å; R171-E188 IonicContact CZ-OE2 3.54Å; R171-E188 IonicContact NE-OE1 3.93Å; R171-E188 IonicContact NE-OE2 3.07Å; R171-E188 PolarHBondContact NE-OE2 2.82Å; R171-E188 IonicContact NH2-OE1 2.65Å; R171-E188 PolarHBondContact NH2-OE1 3.06Å; R171-E188 IonicContact NH2-OE2 3.04Å; R171-E188 PolarHBondContact NH2-OE2 2.58Å; R171-P189 HydrophobicContact CG-CG 4.05Å
172A93.8Very high93Very high55 Ų5584.7 Ų84.746%0.45547%0.471SS..Hα-helixtrans-63.1-40.5-179.800000112.3P168 L169 L170 L175 A176P168-A172 PolarHBondContact O-N 3.4Å; P168-A172 VanDerWaalsContact O-N 3.12Å; L169-A172 PolarHBondContact O-N 3.48Å; L170-A172 PolarHBondContact O-N 3.27Å; A172-L175 PolarHBondContact O-N 3.04Å; A172-A176 WeakPolarHBondContact O-CB 3.35Å; A172-A176 PolarHBondContact O-N 3.37Å
173M94.9Very high92.8Very high96 Ų9687 Ų8747%0.47348%0.478SS..Hα-helixtrans-61.8-45.9176.4-69.5175.567.700112.2L169 L170 R171 L175 A176 E177L169-M173 HydrophobicContact CD1-SD 4.44Å; L169-M173 HydrophobicContact CG-SD 4.19Å; L169-M173 WeakPolarHBondContact O-CG 3.29Å; L169-M173 PolarHBondContact O-N 2.9Å; L170-M173 HydrophobicContact CD2-SD 4.38Å; L170-M173 PolarHBondContact O-N 2.71Å; R171-M173 PolarHBondContact O-N 2.92Å; M173-L175 PolarHBondContact O-N 3.5Å; M173-A176 PolarHBondContact O-N 2.85Å; M173-E177 PolarHBondContact O-N 2.87Å
174I93.8Very high92.5Very high44 Ų4491 Ų9123%0.22650%0.501CS..Hα-helixtrans-61.9-44.2179.5-66.9163.2000111Y166 L170 R171 E177 R178 P189Y166-I174 HydrophobicContact CD1-CD1 4.16Å; Y166-I174 HydrophobicContact CD2-CD1 4.03Å; Y166-I174 HydrophobicContact CE1-CD1 4.26Å; Y166-I174 HydrophobicContact CE2-CD1 4.13Å; Y166-I174 HydrophobicContact CG-CD1 4.05Å; L170-I174 WeakPolarHBondContact O-CD1 3.43Å; L170-I174 VanDerWaalsContact O-CG1 3.24Å; L170-I174 WeakPolarHBondContact O-CG1 3.46Å; L170-I174 PolarHBondContact O-N 3.21Å; R171-I174 PolarHBondContact O-N 3Å; I174-E177 PolarHBondContact O-N 3.18Å; I174-R178 WeakPolarHBondContact O-CG 3.41Å; I174-R178 PolarHBondContact O-N 2.87Å; I174-R178 VanDerWaalsContact O-N 3.08Å; I174-P189 HydrophobicContact CD1-CB 4.22Å; I174-P189 HydrophobicContact CG2-CB 3.92Å; I174-P189 HydrophobicContact CG2-CG 4.24Å
175L92.4Very high92Very high44 Ų4491 Ų9123%0.2350%0.503CS..Hα-helixtrans-64.9-40.9178.8-68.4174.9000111.9R171 A172 M173 R178 Q179R171-L175 HydrophobicContact CG-CD1 4.2Å; R171-L175 WeakPolarHBondContact O-CG 3.45Å; R171-L175 PolarHBondContact O-N 2.85Å; R171-L175 VanDerWaalsContact O-N 3.12Å; A172-L175 PolarHBondContact O-N 3.04Å; M173-L175 PolarHBondContact O-N 3.5Å; L175-R178 PolarHBondContact O-N 2.87Å; L175-Q179 WeakPolarHBondContact O-CG 3.35Å; L175-Q179 PolarHBondContact O-N 3.4Å; L175-Q179 VanDerWaalsContact O-N 3.13Å
176A92.4Very high91.5Very high55 Ų5593.1 Ų93.146%0.45551%0.514SS..Hα-helixtrans-64.5-38.4176.700000112.4A172 M173 K180A172-A176 WeakPolarHBondContact O-CB 3.35Å; A172-A176 PolarHBondContact O-N 3.37Å; M173-A176 PolarHBondContact O-N 2.85Å; A176-K180 WeakPolarHBondContact O-CB 3.23Å; A176-K180 PolarHBondContact O-N 2.96Å
177E93.1Very high91.2Very high117 Ų11796.2 Ų96.255%0.54753%0.532SS..Hα-helixtrans-66.4-41.4175.5-77.3-178.7178.100112.7M173 I174 Q179 K180 N181M173-E177 PolarHBondContact O-N 2.87Å; I174-E177 PolarHBondContact O-N 3.18Å; E177-Q179 PolarHBondContact O-N 3.42Å; E177-K180 PolarHBondContact O-N 2.94Å; E177-N181 WeakPolarHBondContact O-CB 3.47Å; E177-N181 VanDerWaalsContact O-CG 3.24Å; E177-N181 PolarHBondContact O-N 3.21Å; E177-N181 PolarHBondContact O-ND2 3.36Å
178R92.1Very high90.9Very high61 Ų6197.8 Ų97.823%0.2353%0.532CS..Hα-helixtrans-58.9-47.9175.2-73.9179.7-177.3178.5-1.4111.6I174 L175 K180 N181 G182 D183 E187I174-R178 WeakPolarHBondContact O-CG 3.41Å; I174-R178 PolarHBondContact O-N 2.87Å; I174-R178 VanDerWaalsContact O-N 3.08Å; L175-R178 PolarHBondContact O-N 2.87Å; R178-K180 VanDerWaalsContact C-N 3.32Å; R178-K180 PolarHBondContact O-N 3.35Å; R178-N181 CarbonylContact O-C 3.54Å; R178-N181 PolarHBondContact O-N 2.84Å; R178-N181 VanDerWaalsContact O-N 3.12Å; R178-G182 PolarHBondContact O-N 3.19Å; R178-D183 HydrophobicContact CB-CB 4.25Å; R178-D183 PolarHBondContact O-N 2.96Å; R178-E187 PolarHBondContact NH1-O 3.45Å
179Q89.9Confident90.6Very high151 Ų15192.6 Ų92.671%0.70650%0.499SS*.Hα-helixtrans-60-42.7176.7-71.1176.6-100111.8L175 E177 N181 G182L175-Q179 WeakPolarHBondContact O-CG 3.35Å; L175-Q179 PolarHBondContact O-N 3.4Å; L175-Q179 VanDerWaalsContact O-N 3.13Å; E177-Q179 PolarHBondContact O-N 3.42Å; Q179-N181 VanDerWaalsContact C-N 3.28Å; Q179-N181 PolarHBondContact O-N 3.49Å; Q179-G182 PolarHBondContact O-N 3.08Å; Q179-G182 VanDerWaalsContact O-N 3.15Å
180K93.1Very high90.4Very high181 Ų18190.6 Ų90.679%0.78749%0.487SS*.Hα-helixtrans-62.3-35.1176.5-174.5-178.3177.1-175.10112.6A176 E177 R178 G182A176-K180 WeakPolarHBondContact O-CB 3.23Å; A176-K180 PolarHBondContact O-N 2.96Å; E177-K180 PolarHBondContact O-N 2.94Å; R178-K180 VanDerWaalsContact C-N 3.32Å; R178-K180 PolarHBondContact O-N 3.35Å; K180-G182 VanDerWaalsContact C-N 3.25Å; K180-G182 PolarHBondContact O-N 3.37Å
181N91.6Very high90.2Very high132 Ų13289.8 Ų89.871%0.70648%0.483SS*.THydrogen-bonded Turntrans-82.90.9178.9-65.4-21.5000113.3E177 R178 Q179 D183E177-N181 WeakPolarHBondContact O-CB 3.47Å; E177-N181 VanDerWaalsContact O-CG 3.24Å; E177-N181 PolarHBondContact O-N 3.21Å; E177-N181 PolarHBondContact O-ND2 3.36Å; R178-N181 CarbonylContact O-C 3.54Å; R178-N181 PolarHBondContact O-N 2.84Å; R178-N181 VanDerWaalsContact O-N 3.12Å; Q179-N181 VanDerWaalsContact C-N 3.28Å; Q179-N181 PolarHBondContact O-N 3.49Å; N181-D183 VanDerWaalsContact C-N 3.33Å
182G88.2Confident90Very high62 Ų6289 Ų8964%0.63949%0.485SS*.THydrogen-bonded Turntrans78.713.7-179.700000114.5R178 Q179 K180R178-G182 PolarHBondContact O-N 3.19Å; Q179-G182 PolarHBondContact O-N 3.08Å; Q179-G182 VanDerWaalsContact O-N 3.15Å; K180-G182 VanDerWaalsContact C-N 3.25Å; K180-G182 PolarHBondContact O-N 3.37Å
183D83.9Confident89.8Confident82 Ų8288.4 Ų88.444%0.43948%0.476SS..  trans-84.7119.6176.3-172.1-0.6000110R178 N181 S185R178-D183 HydrophobicContact CB-CB 4.25Å; R178-D183 PolarHBondContact O-N 2.96Å; N181-D183 VanDerWaalsContact C-N 3.33Å; D183-S185 WeakPolarHBondContact OD1-CB 3.36Å; D183-S185 PolarHBondContact OD1-N 3.06Å; D183-S185 VanDerWaalsContact OD1-N 3.11Å
184T82.3Confident89.3Confident133 Ų13390 Ų9082%0.81648%0.482SS*.  trans-95.413.2-178.253.40000113.3T186T184-T186 PolarHBondContact O-N 3.36Å
185S82.6Confident88.5Confident42 Ų4298.2 Ų98.229%0.29451%0.511SS..  trans-58.1128.4178-179.40000112.7D183 E187D183-S185 WeakPolarHBondContact OD1-CB 3.36Å; D183-S185 PolarHBondContact OD1-N 3.06Å; D183-S185 VanDerWaalsContact OD1-N 3.11Å; S185-E187 VanDerWaalsContact C-N 3.34Å; S185-E187 PolarHBondContact OG-N 3.5Å
186T83.6Confident87.9Confident139 Ų139100.4 Ų100.485%0.85353%0.526SS*.  trans-91.15.1175.852.90000113.1T184 E188T184-T186 PolarHBondContact O-N 3.36Å; T186-E188 PolarHBondContact O-N 2.78Å
187E89.1Confident87.3Confident139 Ų139108 Ų10865%0.6554%0.542SS*.PPolyproline II helixtrans-70.8129.1-177.8-65.6-179.6177.600111.7R178 S185R178-E187 PolarHBondContact NH1-O 3.45Å; S185-E187 VanDerWaalsContact C-N 3.34Å; S185-E187 PolarHBondContact OG-N 3.5Å
188E88.4Confident86.9Confident104 Ų104110.4 Ų110.449%0.48656%0.556SS.*PPolyproline II helixtrans-64.2127.2175.5-77.3-68.9160.500110.4R171 T186 M190R171-E188 IonicContact CZ-OE1 3.26Å; R171-E188 IonicContact CZ-OE2 3.54Å; R171-E188 IonicContact NE-OE1 3.93Å; R171-E188 IonicContact NE-OE2 3.07Å; R171-E188 PolarHBondContact NE-OE2 2.82Å; R171-E188 IonicContact NH2-OE1 2.65Å; R171-E188 PolarHBondContact NH2-OE1 3.06Å; R171-E188 IonicContact NH2-OE2 3.04Å; R171-E188 PolarHBondContact NH2-OE2 2.58Å; T186-E188 PolarHBondContact O-N 2.78Å; E188-M190 PolarHBondContact O-N 2.73Å
189P91.1Very high86.6Confident7 Ų7113.6 Ų113.65%0.04557%0.574CS.*PPolyproline II helixtrans-66.6122.1173.227.7-32.2000109Y166 R171 I174Y166-P189 HydrophobicContact CD2-CB 3.96Å; Y166-P189 WeakPolarHBondContact CD2-O 3.5Å; Y166-P189 HydrophobicContact CE2-CB 4.29Å; R171-P189 HydrophobicContact CG-CG 4.05Å; I174-P189 HydrophobicContact CD1-CB 4.22Å; I174-P189 HydrophobicContact CG2-CB 3.92Å; I174-P189 HydrophobicContact CG2-CG 4.24Å
190M91.9Very high86.5Confident87 Ų87108.9 Ų108.943%0.42956%0.556SS.*EExtended strand (participates in β ladder)trans-122.7140.2180-62.3-70.5-78.200110.2V164 P165 Y166 E188V164-M190 CarbonylContact O-C 3.58Å; V164-M190 WeakPolarHBondContact O-CA 3.5Å; P165-M190 HydrophobicContact CB-SD 4.29Å; P165-M190 HydrophobicContact CG-CE 4.41Å; P165-M190 HydrophobicContact CG-SD 4.3Å; Y166-M190 VanDerWaalsContact CE2-C 3.49Å; E188-M190 PolarHBondContact O-N 2.73Å
191L91.4Very high86.3Confident66 Ų66111 Ų11135%0.34656%0.559SS.*EExtended strand (participates in β ladder)trans-88.9119.9175.1-170.5151.9000109.2S163 V164 Y166 V193S163-L191 WeakPolarHBondContact CA-O 3.09Å; V164-L191 HydrophobicContact CG2-CB 3.95Å; V164-L191 HydrophobicContact CG2-CD2 4.15Å; V164-L191 PolarHBondContact N-O 3.11Å; V164-L191 PolarHBondContact O-N 3.16Å; Y166-L191 HydrophobicContact CD1-CD1 4.41Å; Y166-L191 HydrophobicContact CD2-CB 4.43Å; Y166-L191 HydrophobicContact CE1-CB 4.27Å; Y166-L191 HydrophobicContact CE1-CD1 3.89Å; Y166-L191 HydrophobicContact CE1-CG 4.47Å; Y166-L191 HydrophobicContact CE2-CB 4.03Å; L191-V193 HydrophobicContact CD2-CG1 3.43Å; L191-V193 VanDerWaalsContact CD2-CG1 3.43Å; L191-V193 PolarHBondContact O-N 2.99Å
192N90.1Very high86.2Confident72 Ų72105.8 Ų105.839%0.38553%0.531SS..EExtended strand (participates in β ladder)trans-75.9111.2176.4-177.6-23.3000110.2A162 Q194A162-N192 WeakPolarHBondContact O-CA 3.41Å; A162-N192 PolarHBondContact O-OD1 3.38Å; N192-Q194 VanDerWaalsContact OD1-CB 3.31Å; N192-Q194 WeakPolarHBondContact OD1-CB 3.35Å; N192-Q194 PolarHBondContact OD1-N 3.32Å
193V89Confident86.2Confident42 Ų42105.5 Ų105.526%0.25551%0.511SS..  trans-97.8-9.1179.8-68.60000113.1L161 A162 V164 L191 R195 T196L161-V193 WeakPolarHBondContact O-CG2 3.38Å; A162-V193 WeakPolarHBondContact O-CG2 3.38Å; A162-V193 PolarHBondContact O-N 3.1Å; V164-V193 HydrophobicContact CG1-CG1 4.22Å; V164-V193 HydrophobicContact CG1-CG2 4.11Å; V164-V193 HydrophobicContact CG2-CG1 3.65Å; L191-V193 HydrophobicContact CD2-CG1 3.43Å; L191-V193 VanDerWaalsContact CD2-CG1 3.43Å; L191-V193 PolarHBondContact O-N 2.99Å; V193-R195 PolarHBondContact O-N 2.91Å; V193-R195 VanDerWaalsContact O-N 3.13Å; V193-T196 PolarHBondContact O-N 3.37Å
194Q85.1Confident86.4Confident130 Ų130101.6 Ų101.661%0.60749%0.49SS*.THydrogen-bonded Turntrans-60.7-26.6-179.4-163.5-179.85.500112.8A162 N192 T196A162-Q194 HydrophobicContact CB-CB 4.29Å; A162-Q194 PolarHBondContact O-N 2.9Å; N192-Q194 VanDerWaalsContact OD1-CB 3.31Å; N192-Q194 WeakPolarHBondContact OD1-CB 3.35Å; N192-Q194 PolarHBondContact OD1-N 3.32Å; Q194-T196 VanDerWaalsContact C-N 3.33Å
195R78.1Confident86.7Confident217 Ų21797.4 Ų97.482%0.81947%0.469SS*.THydrogen-bonded Turntrans-73.2-25.1176.2-65.4-177.2178.3176.9-0.6113V193 R197V193-R195 PolarHBondContact O-N 2.91Å; V193-R195 VanDerWaalsContact O-N 3.13Å; R195-R197 PolarHBondContact O-N 3.18Å
196T79.7Confident86.8Confident89 Ų89100.8 Ų100.855%0.54648%0.478SS..  trans-94.497.2-175.2-52.90000109.3V193 Q194 M198V193-T196 PolarHBondContact O-N 3.37Å; Q194-T196 VanDerWaalsContact C-N 3.33Å; T196-M198 HydrophobicContact CG2-CG 4.47Å; T196-M198 HydrophobicContact CG2-SD 4.04Å; T196-M198 PolarHBondContact O-N 3.03Å
197R78.8Confident86.9Confident214 Ų21495.9 Ų95.981%0.80845%0.446SS*.  trans-80.3111172.2-68.2-174.8177-174.7-1.6109.4R195 E199R195-R197 PolarHBondContact O-N 3.18Å; R197-E199 PolarHBondContact O-N 3.33Å
198M84.1Confident86.4Confident168 Ų16894.7 Ų94.783%0.82844%0.44SS*.  trans-85.5105.4173.6-63.7-66.4-76.800108.6T196T196-M198 HydrophobicContact CG2-CG 4.47Å; T196-M198 HydrophobicContact CG2-SD 4.04Å; T196-M198 PolarHBondContact O-N 3.03Å
199E85.8Confident86Confident129 Ų12995.6 Ų95.660%0.60345%0.449SS*.  trans-77.8146.3173.6-69.1178.6176.600110.7R197 Y203R197-E199 PolarHBondContact O-N 3.33Å; E199-Y203 HydrophobicContact CB-CG 4.43Å; E199-Y203 WeakPolarHBondContact OE2-CD1 3.39Å
200P89.5Confident85.6Confident51 Ų5199.5 Ų99.533%0.33147%0.465SS..  trans-57.7149.7173.2-27.438.3000112.5F120 D202 Y203F120-P200 HydrophobicContact CE1-CB 4.46Å; F120-P200 HydrophobicContact CE1-CG 4.07Å; P200-D202 WeakPolarHBondContact CB-OD1 3.29Å; P200-D202 PolarHBondContact O-N 3.28Å; P200-D202 VanDerWaalsContact O-N 3.13Å; P200-Y203 VanDerWaalsContact O-CB 3.26Å; P200-Y203 WeakPolarHBondContact O-CB 3.36Å; P200-Y203 PolarHBondContact O-N 3.01Å
201W88.3Confident84.9Confident225 Ų22599 Ų9985%0.85248%0.482SS*.THydrogen-bonded Turntrans-63.2-21-17869.5-89.8000113.6
202D88.7Confident84.1Confident23 Ų2399.2 Ų99.212%0.12348%0.478CS..THydrogen-bonded Turntrans-98.38.5179.467.4-40.4000113.3H89 P200H89-D202 IonicContact CD2-OD2 3.44Å; H89-D202 IonicContact CE1-OD1 3.03Å; H89-D202 IonicContact CE1-OD2 3.69Å; H89-D202 IonicContact NE2-OD1 2.86Å; H89-D202 IonicContact NE2-OD2 3.86Å; H89-D202 PolarHBondContact NE2-OD2 3.02Å; P200-D202 WeakPolarHBondContact CB-OD1 3.29Å; P200-D202 PolarHBondContact O-N 3.28Å; P200-D202 VanDerWaalsContact O-N 3.13Å
203Y89.3Confident83.2Confident56 Ų5698.6 Ų98.622%0.2248%0.483CS..SBendtrans-61.4134171.2-167.8-93.1000110.7L118 F120 E125 E199 P200 A205L118-Y203 HydrophobicContact CD2-CE1 4.43Å; L118-Y203 HydrophobicContact CD2-CE2 4.27Å; F120-Y203 HydrophobicContact CB-CD2 4.36Å; F120-Y203 HydrophobicContact CB-CE2 3.88Å; F120-Y203 AromaticContact CD1-CD2 3.38Å; F120-Y203 HydrophobicContact CD1-CD2 3.38Å; F120-Y203 AromaticContact CD1-CE2 3.64Å; F120-Y203 HydrophobicContact CD1-CE2 3.64Å; F120-Y203 AromaticContact CE1-CD2 3.68Å; F120-Y203 HydrophobicContact CE1-CD2 3.68Å; F120-Y203 HydrophobicContact CE1-CE2 4.39Å; F120-Y203 AromaticContact CG-CD2 3.84Å; F120-Y203 HydrophobicContact CG-CD2 3.84Å; F120-Y203 AromaticContact CG-CE2 3.87Å; F120-Y203 HydrophobicContact CG-CE2 3.87Å; F120-Y203 HydrophobicContact CZ-CD2 4.36Å; E125-Y203 PolarHBondContact OE1-OH 3.4Å; E199-Y203 HydrophobicContact CB-CG 4.43Å; E199-Y203 WeakPolarHBondContact OE2-CD1 3.39Å; P200-Y203 VanDerWaalsContact O-CB 3.26Å; P200-Y203 WeakPolarHBondContact O-CB 3.36Å; P200-Y203 PolarHBondContact O-N 3.01Å; Y203-A205 PolarHBondContact O-N 2.87Å
204P87.5Confident82.1Confident1 Ų1105 Ų1051%0.00651%0.508CS..PPolyproline II helixtrans-61.1121.8-177.5-27.537000113.6W85 W95 L118 R129 E132W85-P204 HydrophobicContact CH2-CG 3.97Å; W85-P204 HydrophobicContact CZ2-CG 3.67Å; W95-P204 HydrophobicContact CZ2-CB 3.78Å; W95-P204 HydrophobicContact CZ2-CG 4.06Å; L118-P204 HydrophobicContact CD1-CG 4.04Å; L118-P204 HydrophobicContact CD2-CB 4.05Å; L118-P204 HydrophobicContact CD2-CG 3.6Å; R129-P204 PolarHBondContact NH1-O 2.82Å; R129-P204 PolarHBondContact NH2-O 3Å; E132-P204 HydrophobicContact CG-CB 4.38Å; E132-P204 WeakPolarHBondContact OE1-CA 3.31Å
205A88.3Confident80.7Confident44 Ų44100 Ų10036%0.36449%0.491SS..PPolyproline II helixtrans-77.3162.4174.100000111.5E132 Y203 Q207E132-A205 PolarHBondContact OE1-N 3.13Å; E132-A205 PolarHBondContact OE2-N 2.95Å; Y203-A205 PolarHBondContact O-N 2.87Å; A205-Q207 PolarHBondContact O-N 2.72Å
206K86.1Confident80.3Confident113 Ų11395.3 Ų95.349%0.49149%0.486SS..  trans-71.2109176-71.6-175.3176.3-164.80110.7E208 D209K206-E208 VanDerWaalsContact C-N 3.28Å; K206-E208 HydrophobicContact CB-CG 4.12Å; K206-E208 PolarHBondContact O-N 3.27Å; K206-D209 WeakPolarHBondContact CB-OD2 3.45Å; K206-D209 PolarHBondContact O-N 3.27Å
207Q84.2Confident80Confident37 Ų3795.3 Ų95.317%0.17349%0.488CS..G310 helixtrans-69.3-26.7179.2-17556.553.100112.8E130 E132 A205 D209 K210E130-Q207 HydrophobicContact CB-CB 4.07Å; E130-Q207 HydrophobicContact CG-CB 3.98Å; E130-Q207 HydrophobicContact CG-CG 3.88Å; E132-Q207 HydrophobicContact CB-CB 4.04Å; E132-Q207 HydrophobicContact CB-CG 4.38Å; E132-Q207 VanDerWaalsContact CB-OE1 3.31Å; A205-Q207 PolarHBondContact O-N 2.72Å; Q207-D209 PolarHBondContact O-N 3.29Å; Q207-K210 PolarHBondContact O-N 3.11Å; Q207-K210 VanDerWaalsContact O-N 3.13Å
208E79.6Confident79.9Confident113 Ų11393 Ų9353%0.52850%0.497SS..G310 helixtrans-60.4-33.1177.559.3-170.9171.600113.1K206K206-E208 VanDerWaalsContact C-N 3.28Å; K206-E208 HydrophobicContact CB-CG 4.12Å; K206-E208 PolarHBondContact O-N 3.27Å
209D80.3Confident79.6Confident124 Ų12489.2 Ų89.266%0.66348%0.48SS*.G310 helixtrans-86.9-11.2179.2-61.4-40.2000112.5K206 Q207K206-D209 WeakPolarHBondContact CB-OD2 3.45Å; K206-D209 PolarHBondContact O-N 3.27Å; Q207-D209 PolarHBondContact O-N 3.29Å
210K82.5Confident79.3Confident89 Ų8987.1 Ų87.139%0.38747%0.474SS..SBendtrans-80.4128.2-178.3-74.6-176.7-177.8174.50111.4E132 Q207E132-K210 IonicContact OE2-NZ 2.78Å; E132-K210 PolarHBondContact OE2-NZ 3.36Å; Q207-K210 PolarHBondContact O-N 3.11Å; Q207-K210 VanDerWaalsContact O-N 3.13Å
211G76.3Confident78.8Confident76 Ų7689.1 Ų89.178%0.78448%0.482SS*.PPolyproline II helixtrans-62146.5171.800000112.6
212R75.6Confident78.2Confident70 Ų7081.1 Ų81.126%0.26446%0.46SS..PPolyproline II helixtrans-87.6146.4172-172.2176.9175.3145.5-2.8110.3P28 D30 L33 K214P28-R212 PolarHBondContact O-NH2 3.35Å; D30-R212 IonicContact OD1-CZ 3.59Å; D30-R212 IonicContact OD1-NE 3.9Å; D30-R212 IonicContact OD1-NH1 3.66Å; D30-R212 PolarHBondContact OD1-NH1 3.44Å; D30-R212 IonicContact OD1-NH2 2.72Å; D30-R212 PolarHBondContact OD1-NH2 3.03Å; L33-R212 HydrophobicContact CD1-CG 4.39Å; R212-K214 PolarHBondContact O-N 3.13Å
213A70.6Confident77.5Confident60 Ų6084.8 Ų84.850%0.49648%0.481SS..PPolyproline II helixtrans-52.4126.5172.800000111G215A213-G215 PolarHBondContact O-N 3.39Å
214K66.8Low76.8Confident177 Ų17786.7 Ų86.777%0.7750%0.499SS*.  trans-77.999.4166.9-66.4-161.5176.8-158.30107E23 R212 T216E23-K214 IonicContact OE1-NZ 3.39Å; R212-K214 PolarHBondContact O-N 3.13Å; K214-T216 PolarHBondContact O-N 3.13Å
215G55.6Low76Confident25 Ų2592.8 Ų92.826%0.25853%0.534SS..  trans-89.599.2-175.400000111.6A213A213-G215 PolarHBondContact O-N 3.39Å
216T68.7Low75.1Confident117 Ų11796.5 Ų96.572%0.71855%0.547SS*.  trans-85.6116.2153.5-48.90000106.1K214K214-T216 PolarHBondContact O-N 3.13Å
217P74.8Confident74.1Confident90 Ų9095.2 Ų95.258%0.58455%0.551SS**  trans-61.3140.2174.726.9-33.1000109.4F45F45-P217 HydrophobicContact CD2-CB 4.29Å; F45-P217 HydrophobicContact CE2-CB 3.87Å; F45-P217 HydrophobicContact CZ-CB 4.18Å; F45-P217 WeakPolarHBondContact O-CA 3.49Å
218V74.9Confident73.2Confident164 Ų164100.5 Ų100.599%0.99459%0.586SS**  trans-1130178-176.60000109.5F45F45-V218 PolarHBondContact O-N 3.49Å

Retrieved 218 of 218 residues in 57.4 ms (Link to these results)

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