A0A087XF97_POEFO Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A087XF97, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 326 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
1Y45.9Very low48.3Very low33 Ų3341.9 Ų41.913%0.12927%0.272CS..  0-67.50-168.5-85.2000113.2A3 K4 L5 R21 G22 L23 P70 F72Y1-A3 VanDerWaalsContact N-CA 3.32Å; Y1-A3 PolarHBondContact O-N 3.06Å; Y1-K4 PolarHBondContact O-N 2.92Å; Y1-L5 PolarHBondContact O-N 3.42Å; Y1-R21 VanDerWaalsContact CE2-C 3.41Å; Y1-R21 WeakPolarHBondContact CE2-O 3.45Å; Y1-R21 PolarHBondContact OH-O 3.16Å; Y1-G22 WeakPolarHBondContact OH-CA 3.29Å; Y1-G22 PolarHBondContact OH-N 3.17Å; Y1-G22 PolarHBondContact OH-O 3.17Å; Y1-L23 HydrophobicContact CE1-CD2 4.37Å; Y1-L23 PolarHBondContact OH-N 3.48Å; Y1-P70 HydrophobicContact CD2-CB 3.7Å; Y1-P70 HydrophobicContact CD2-CG 4.29Å; Y1-P70 HydrophobicContact CG-CB 3.66Å; Y1-F72 AromaticContact CD1-CD2 3.98Å; Y1-F72 HydrophobicContact CD1-CD2 3.98Å
2L38.7Very low49.8Very low2 Ų255.8 Ų55.81%0.0132%0.315CS..Hα-helixtrans-55.8-33.7140.7-81.7-169.3000110.2K4 L5 S6 A45 V71 F72L2-K4 PolarHBondContact O-N 3.46Å; L2-K4 VanDerWaalsContact O-N 3.09Å; L2-L5 HydrophobicContact CD2-CD1 3.4Å; L2-L5 WeakPolarHBondContact O-CB 3.49Å; L2-L5 PolarHBondContact O-N 2.92Å; L2-L5 VanDerWaalsContact O-N 3.16Å; L2-S6 PolarHBondContact O-N 3.01Å; L2-A45 HydrophobicContact CB-CB 3.18Å; L2-A45 VanDerWaalsContact CD1-CA 3.49Å; L2-A45 HydrophobicContact CD1-CB 3.45Å; L2-A45 VanDerWaalsContact CD1-CB 3.45Å; L2-A45 HydrophobicContact CD2-CB 3.35Å; L2-A45 HydrophobicContact CG-CB 3.35Å; L2-V71 HydrophobicContact CB-CB 4.27Å; L2-V71 HydrophobicContact CB-CG1 4.42Å; L2-V71 HydrophobicContact CB-CG2 4.17Å; L2-F72 HydrophobicContact CD1-CE2 3.45Å; L2-F72 VanDerWaalsContact CD1-CE2 3.45Å; L2-F72 HydrophobicContact CD1-CZ 3.52Å; L2-F72 HydrophobicContact CD2-CE2 4.23Å; L2-F72 HydrophobicContact CG-CD2 4.35Å; L2-F72 HydrophobicContact CG-CE2 3.53Å; L2-F72 HydrophobicContact CG-CZ 4.15Å
3A33.8Very low52Low23 Ų2357.4 Ų57.419%0.1932%0.323CS..Hα-helixtrans-60.5-7.6165.100000117.4Y1 S6 I49 V71Y1-A3 VanDerWaalsContact N-CA 3.32Å; Y1-A3 PolarHBondContact O-N 3.06Å; A3-S6 VanDerWaalsContact CA-OG 3.25Å; A3-S6 WeakPolarHBondContact CA-OG 3.36Å; A3-S6 PolarHBondContact O-OG 3.35Å; A3-S6 VanDerWaalsContact O-OG 3.06Å; A3-I49 HydrophobicContact CB-CD1 3.46Å; A3-I49 VanDerWaalsContact CB-CD1 3.46Å; A3-V71 HydrophobicContact CB-CG2 4.07Å
4K37.3Very low53.9Low100 Ų10061.1 Ų61.144%0.43534%0.336SS..Hα-helixtrans-107.3-29.4170.6-98.2-165.5178.4-170.70111.2Y1 L2 S6 S7 V8Y1-K4 PolarHBondContact O-N 2.92Å; L2-K4 PolarHBondContact O-N 3.46Å; L2-K4 VanDerWaalsContact O-N 3.09Å; K4-S6 PolarHBondContact O-N 3.04Å; K4-S7 PolarHBondContact O-N 2.92Å; K4-S7 PolarHBondContact O-OG 3.31Å; K4-S7 VanDerWaalsContact O-OG 3.12Å; K4-V8 WeakPolarHBondContact O-CG2 3.43Å; K4-V8 PolarHBondContact O-N 3.15Å; K4-V8 VanDerWaalsContact O-N 3.08Å
5L46.1Very low55.5Low2 Ų264.1 Ų64.11%0.0135%0.347CS..Hα-helixtrans-53.8-42159.7-83.4154.9000109.8Y1 L2 S7 V8 I11 L20 R42Y1-L5 PolarHBondContact O-N 3.42Å; L2-L5 HydrophobicContact CD2-CD1 3.4Å; L2-L5 WeakPolarHBondContact O-CB 3.49Å; L2-L5 PolarHBondContact O-N 2.92Å; L2-L5 VanDerWaalsContact O-N 3.16Å; L5-S7 PolarHBondContact O-N 3.3Å; L5-V8 PolarHBondContact O-N 2.96Å; L5-V8 VanDerWaalsContact O-N 3.12Å; L5-I11 HydrophobicContact CD2-CD1 3.14Å; L5-I11 HydrophobicContact CD2-CG1 4.28Å; L5-L20 HydrophobicContact CD2-CD1 3.76Å; L5-L20 HydrophobicContact CD2-CD2 3.52Å; L5-L20 HydrophobicContact CD2-CG 4.28Å; L5-L20 HydrophobicContact CG-CD2 3.99Å; L5-R42 VanDerWaalsContact C-CG 3.42Å; L5-R42 HydrophobicContact CB-CB 4.05Å; L5-R42 HydrophobicContact CB-CG 3.95Å; L5-R42 HydrophobicContact CD2-CB 4.26Å; L5-R42 WeakPolarHBondContact O-CD 3.15Å; L5-R42 WeakPolarHBondContact O-CG 3.4Å
6S43.7Very low57.2Low45 Ų4561.8 Ų61.832%0.31534%0.335SS..THydrogen-bonded Turntrans-67-18.3178.6640000115.7L2 A3 K4 Q46L2-S6 PolarHBondContact O-N 3.01Å; A3-S6 VanDerWaalsContact CA-OG 3.25Å; A3-S6 WeakPolarHBondContact CA-OG 3.36Å; A3-S6 PolarHBondContact O-OG 3.35Å; A3-S6 VanDerWaalsContact O-OG 3.06Å; K4-S6 PolarHBondContact O-N 3.04Å; S6-Q46 PolarHBondContact OG-OE1 3.44Å
7S43Very low58.8Low92 Ų9258.1 Ų58.164%0.64332%0.315SS*.THydrogen-bonded Turntrans-98.8-7172.569.50000113.8K4 L5K4-S7 PolarHBondContact O-N 2.92Å; K4-S7 PolarHBondContact O-OG 3.31Å; K4-S7 VanDerWaalsContact O-OG 3.12Å; L5-S7 PolarHBondContact O-N 3.3Å
8V52.1Low60Low54 Ų5461.7 Ų61.733%0.32733%0.33SS..SBendtrans-88.8133.8174.6173.40000108.4K4 L5 T16 R42K4-V8 WeakPolarHBondContact O-CG2 3.43Å; K4-V8 PolarHBondContact O-N 3.15Å; K4-V8 VanDerWaalsContact O-N 3.08Å; L5-V8 PolarHBondContact O-N 2.96Å; L5-V8 VanDerWaalsContact O-N 3.12Å; V8-T16 HydrophobicContact CG1-CG2 4.27Å; V8-R42 PolarHBondContact O-NH1 3.07Å
9G58.3Low60.9Low53 Ų5367.6 Ų67.655%0.54635%0.347SS..  trans-54.6178.3172.100000112.8I11 R42G9-I11 PolarHBondContact O-N 3.14Å; G9-R42 PolarHBondContact O-NH1 3.35Å; G9-R42 VanDerWaalsContact O-NH1 3.11Å
10S63.4Low61.6Low52 Ų5264.9 Ų64.936%0.36433%0.333SS..  trans-49.8127.5-179.1-176.50000111R12 D39S10-R12 PolarHBondContact O-N 3.11Å; S10-R12 WeakPolarHBondContact OG-CG 3.47Å; S10-R12 PolarHBondContact OG-NE 3.13Å; S10-R12 VanDerWaalsContact OG-NE 3.1Å; S10-D39 WeakPolarHBondContact CA-OD1 3.39Å; S10-D39 PolarHBondContact OG-OD1 3.39Å
11I68.8Low61.9Low5 Ų571.1 Ų71.13%0.02635%0.352CS..  trans-82.9100-178.1-58.7160.5000106.6L5 G9 T16 M38 R42L5-I11 HydrophobicContact CD2-CD1 3.14Å; L5-I11 HydrophobicContact CD2-CG1 4.28Å; G9-I11 PolarHBondContact O-N 3.14Å; I11-T16 HydrophobicContact CB-CG2 4.35Å; I11-T16 HydrophobicContact CG1-CG2 4.18Å; I11-T16 HydrophobicContact CG2-CG2 3.86Å; I11-M38 HydrophobicContact CB-CB 4.13Å; I11-M38 HydrophobicContact CD1-CB 3.92Å; I11-M38 HydrophobicContact CG2-CB 3.83Å; I11-R42 HydrophobicContact CD1-CB 4.24Å
12R66.8Low63Low208 Ų20871.6 Ų71.679%0.78537%0.368SS*.  trans-114.4-10.4-169-67.5-177.4174.4-165.7-4.5114.5S10S10-R12 PolarHBondContact O-N 3.11Å; S10-R12 WeakPolarHBondContact OG-CG 3.47Å; S10-R12 PolarHBondContact OG-NE 3.13Å; S10-R12 VanDerWaalsContact OG-NE 3.1Å
13D77.8Confident64.9Low77 Ų7772.4 Ų72.441%0.41237%0.372SS..SBendtrans-138.6161.9-178.159.135000113.1E15 T16D13-E15 VanDerWaalsContact C-N 3.26Å; D13-E15 PolarHBondContact O-N 3.49Å; D13-E15 PolarHBondContact OD1-N 2.66Å; D13-T16 WeakPolarHBondContact O-CB 3.45Å; D13-T16 PolarHBondContact O-N 3.07Å; D13-T16 WeakPolarHBondContact OD1-CB 3.39Å; D13-T16 PolarHBondContact OD1-N 3.33Å; D13-T16 PolarHBondContact OD1-OG1 2.99Å
14E78.7Confident67.4Low110 Ų11073.9 Ų73.951%0.51438%0.376SS..Hα-helixtrans-67.4-26.5177.8-69-169.7-169.800113T16 C17 K32 V35E14-T16 VanDerWaalsContact C-N 3.31Å; E14-C17 VanDerWaalsContact O-CB 3.29Å; E14-C17 WeakPolarHBondContact O-CB 3.32Å; E14-C17 PolarHBondContact O-N 2.61Å; E14-C17 VanDerWaalsContact O-N 3.17Å; E14-K32 HydrophobicContact CB-CD 4.47Å; E14-K32 HydrophobicContact CB-CG 4.1Å; E14-K32 HydrophobicContact CG-CB 4.17Å; E14-K32 HydrophobicContact CG-CG 4.24Å; E14-V35 HydrophobicContact CG-CG2 3.98Å
15E78.9Confident69.7Low105 Ų10575.5 Ų75.549%0.49139%0.385SS..Hα-helixtrans-68.1-35178.9-164.5-178.8177.600110.8D13 C17 E18 R19D13-E15 VanDerWaalsContact C-N 3.26Å; D13-E15 PolarHBondContact O-N 3.49Å; D13-E15 PolarHBondContact OD1-N 2.66Å; E15-C17 VanDerWaalsContact C-N 3.25Å; E15-C17 PolarHBondContact O-N 2.91Å; E15-E18 PolarHBondContact O-N 2.62Å; E15-R19 WeakPolarHBondContact O-CG 3.23Å; E15-R19 PolarHBondContact O-N 2.77Å; E15-R19 IonicContact OE1-CZ 3.38Å; E15-R19 IonicContact OE1-NE 3.35Å; E15-R19 IonicContact OE1-NH2 2.65Å; E15-R19 PolarHBondContact OE1-NH2 2.82Å; E15-R19 IonicContact OE2-NH2 2.75Å
16T82.6Confident71.8Confident27 Ų2780.4 Ų80.417%0.16640%0.404CS..Hα-helixtrans-58.2-40.4171.8-60.60000110.5V8 I11 D13 E14 E18 R19 L20V8-T16 HydrophobicContact CG1-CG2 4.27Å; I11-T16 HydrophobicContact CB-CG2 4.35Å; I11-T16 HydrophobicContact CG1-CG2 4.18Å; I11-T16 HydrophobicContact CG2-CG2 3.86Å; D13-T16 WeakPolarHBondContact O-CB 3.45Å; D13-T16 PolarHBondContact O-N 3.07Å; D13-T16 WeakPolarHBondContact OD1-CB 3.39Å; D13-T16 PolarHBondContact OD1-N 3.33Å; D13-T16 PolarHBondContact OD1-OG1 2.99Å; E14-T16 VanDerWaalsContact C-N 3.31Å; T16-E18 VanDerWaalsContact C-N 3.3Å; T16-E18 PolarHBondContact O-N 3.13Å; T16-R19 PolarHBondContact O-N 3.49Å; T16-R19 VanDerWaalsContact O-N 3.07Å; T16-L20 WeakPolarHBondContact O-CG 3.31Å; T16-L20 PolarHBondContact O-N 3.31Å
17C83.5Confident74Confident0 Ų078.9 Ų78.90%039%0.391CS..Hα-helixtrans-59.7-35.3-179.7-710000113.8E14 E15 V28 C31 K32E14-C17 VanDerWaalsContact O-CB 3.29Å; E14-C17 WeakPolarHBondContact O-CB 3.32Å; E14-C17 PolarHBondContact O-N 2.61Å; E14-C17 VanDerWaalsContact O-N 3.17Å; E15-C17 VanDerWaalsContact C-N 3.25Å; E15-C17 PolarHBondContact O-N 2.91Å; C17-V28 HydrophobicContact CB-CG1 4.48Å; C17-C31 VanDerWaalsContact CA-SG 3.59Å; C17-C31 HydrophobicContact CB-CB 3.71Å; C17-C31 WeakPolarHBondContact CB-SG 3.33Å; C17-C31 WeakPolarHBondContact SG-CB 3.06Å; C17-C31 CovalentContact SG-SG 2.04Å; C17-C31 PolarHBondContact SG-SG 3.08Å; C17-K32 HydrophobicContact CB-CG 3.94Å
18E80.4Confident76.2Confident122 Ų12275 Ų7557%0.5736%0.364SS*.Hα-helixtrans-75-31.2176.7-62-167.4159.500112.4E15 T16 L20 V28 K32E15-E18 PolarHBondContact O-N 2.62Å; T16-E18 VanDerWaalsContact C-N 3.3Å; T16-E18 PolarHBondContact O-N 3.13Å; E18-L20 VanDerWaalsContact C-N 3.3Å; E18-V28 HydrophobicContact CG-CG1 4.27Å; E18-K32 VanDerWaalsContact CG-CE 3.47Å; E18-K32 VanDerWaalsContact OE1-CE 3.29Å; E18-K32 WeakPolarHBondContact OE1-CE 3.35Å; E18-K32 IonicContact OE1-NZ 3.77Å; E18-K32 PolarHBondContact OE1-NZ 2.84Å
19R77.7Confident78.1Confident174 Ų17477 Ų7766%0.65737%0.37SS*.Hα-helixtrans-78.6-13.8178.7-64.7173.7178.8-172-0.8112.9E15 T16 R21E15-R19 WeakPolarHBondContact O-CG 3.23Å; E15-R19 PolarHBondContact O-N 2.77Å; E15-R19 IonicContact OE1-CZ 3.38Å; E15-R19 IonicContact OE1-NE 3.35Å; E15-R19 IonicContact OE1-NH2 2.65Å; E15-R19 PolarHBondContact OE1-NH2 2.82Å; E15-R19 IonicContact OE2-NH2 2.75Å; T16-R19 PolarHBondContact O-N 3.49Å; T16-R19 VanDerWaalsContact O-N 3.07Å; R19-R21 VanDerWaalsContact C-N 3.31Å; R19-R21 PolarHBondContact O-N 2.83Å
20L73.8Confident79.7Confident14 Ų1476.1 Ų76.17%0.07335%0.352CS..SBendtrans-65.787.9173.2-68.5178000110.5L5 T16 E18 G22 L23L5-L20 HydrophobicContact CD2-CD1 3.76Å; L5-L20 HydrophobicContact CD2-CD2 3.52Å; L5-L20 HydrophobicContact CD2-CG 4.28Å; L5-L20 HydrophobicContact CG-CD2 3.99Å; T16-L20 WeakPolarHBondContact O-CG 3.31Å; T16-L20 PolarHBondContact O-N 3.31Å; E18-L20 VanDerWaalsContact C-N 3.3Å; L20-G22 PolarHBondContact O-N 2.04Å; L20-G22 VanDerWaalsContact O-N 3.13Å; L20-L23 HydrophobicContact CB-CD1 3.99Å; L20-L23 HydrophobicContact CB-CG 4.24Å; L20-L23 HydrophobicContact CD1-CD1 3.73Å
21R68.9Low81.1Confident195 Ų19573.6 Ų73.674%0.73634%0.335SS*.THydrogen-bonded Turntrans-55.1120.2176.9-72-169.8178.8-165.11110.1Y1 R19Y1-R21 VanDerWaalsContact CE2-C 3.41Å; Y1-R21 WeakPolarHBondContact CE2-O 3.45Å; Y1-R21 PolarHBondContact OH-O 3.16Å; R19-R21 VanDerWaalsContact C-N 3.31Å; R19-R21 PolarHBondContact O-N 2.83Å
22G69Low82.2Confident44 Ų4476 Ų7645%0.45435%0.345SS..THydrogen-bonded Turntrans95.713165.800000118.1Y1 L20Y1-G22 WeakPolarHBondContact OH-CA 3.29Å; Y1-G22 PolarHBondContact OH-N 3.17Å; Y1-G22 PolarHBondContact OH-O 3.17Å; L20-G22 PolarHBondContact O-N 2.04Å; L20-G22 VanDerWaalsContact O-N 3.13Å
23L79.4Confident83.4Confident19 Ų1975.7 Ų75.710%0.09934%0.344CS..  trans-72137.5161.9-71.9-172.8000104.8Y1 L20 Q27 V28 C31 F143Y1-L23 HydrophobicContact CE1-CD2 4.37Å; Y1-L23 PolarHBondContact OH-N 3.48Å; L20-L23 HydrophobicContact CB-CD1 3.99Å; L20-L23 HydrophobicContact CB-CG 4.24Å; L20-L23 HydrophobicContact CD1-CD1 3.73Å; L23-Q27 HydrophobicContact CB-CB 3.98Å; L23-Q27 HydrophobicContact CD1-CB 4.47Å; L23-Q27 HydrophobicContact CD2-CB 4.05Å; L23-Q27 HydrophobicContact CG-CB 4.39Å; L23-V28 HydrophobicContact CB-CG2 3.74Å; L23-V28 HydrophobicContact CD1-CG2 4.5Å; L23-C31 HydrophobicContact CD1-CB 4.4Å; L23-F143 HydrophobicContact CD1-CZ 4.41Å; L23-F143 HydrophobicContact CD2-CZ 3.85Å
24I84.4Confident84Confident53 Ų5373.5 Ų73.527%0.27233%0.334SS..  trans-71.7158.3170.263157.1000109.3R26 Q27 V28 V146 R147I24-R26 HydrophobicContact CD1-CB 4.12Å; I24-R26 HydrophobicContact CG1-CB 4.48Å; I24-R26 PolarHBondContact O-N 2.85Å; I24-Q27 HydrophobicContact CG1-CB 4.14Å; I24-Q27 HydrophobicContact CG1-CG 3.71Å; I24-Q27 VanDerWaalsContact N-OE1 3.16Å; I24-Q27 WeakPolarHBondContact O-CA 3.46Å; I24-Q27 WeakPolarHBondContact O-CB 3.21Å; I24-Q27 PolarHBondContact O-N 3.46Å; I24-V28 PolarHBondContact O-N 3.22Å; I24-V146 HydrophobicContact CD1-CG1 4.32Å; I24-R147 HydrophobicContact CD1-CB 4.29Å; I24-R147 HydrophobicContact CG2-CG 4.41Å
25Q87.4Confident84.6Confident135 Ų13569.4 Ų69.463%0.63132%0.317SS*.Hα-helixtrans-50.4-38.4-177.2-169.862.417.100113.4V28 Q29Q25-V28 PolarHBondContact O-N 3.18Å; Q25-Q29 WeakPolarHBondContact O-CG 3.32Å; Q25-Q29 PolarHBondContact O-N 2.77Å
26R88.6Confident85.2Confident105 Ų10567.8 Ų67.840%0.39631%0.309SS..Hα-helixtrans-66.5-36.9176.3-67.8-175.7175.6179.8-3.6113.3I24 Q29 I30 V146 R149I24-R26 HydrophobicContact CD1-CB 4.12Å; I24-R26 HydrophobicContact CG1-CB 4.48Å; I24-R26 PolarHBondContact O-N 2.85Å; R26-Q29 WeakPolarHBondContact O-CB 3.3Å; R26-Q29 PolarHBondContact O-N 3.47Å; R26-I30 WeakPolarHBondContact O-CG1 3.3Å; R26-I30 PolarHBondContact O-N 3.31Å; R26-I30 VanDerWaalsContact O-N 3.14Å; R26-V146 HydrophobicContact CB-CG2 3.55Å; R26-V146 HydrophobicContact CG-CG2 4.21Å; R26-R149 PolarHBondContact NH1-O 3.46Å
27Q89.8Confident85.6Confident12 Ų1266.6 Ų66.66%0.05630%0.302CS..Hα-helixtrans-69.9-35.8174.5-70.9176.4-48.600111.5L23 I24 Q29 I30 C31 F143 V146L23-Q27 HydrophobicContact CB-CB 3.98Å; L23-Q27 HydrophobicContact CD1-CB 4.47Å; L23-Q27 HydrophobicContact CD2-CB 4.05Å; L23-Q27 HydrophobicContact CG-CB 4.39Å; I24-Q27 HydrophobicContact CG1-CB 4.14Å; I24-Q27 HydrophobicContact CG1-CG 3.71Å; I24-Q27 VanDerWaalsContact N-OE1 3.16Å; I24-Q27 WeakPolarHBondContact O-CA 3.46Å; I24-Q27 WeakPolarHBondContact O-CB 3.21Å; I24-Q27 PolarHBondContact O-N 3.46Å; Q27-Q29 VanDerWaalsContact C-N 3.31Å; Q27-Q29 PolarHBondContact O-N 2.98Å; Q27-I30 PolarHBondContact O-N 3.24Å; Q27-C31 WeakPolarHBondContact O-CB 3.03Å; Q27-C31 PolarHBondContact O-N 3.12Å; Q27-F143 HydrophobicContact CB-CE2 4.1Å; Q27-F143 HydrophobicContact CB-CZ 4.45Å; Q27-F143 HydrophobicContact CG-CE2 4.47Å; Q27-F143 PolarHBondContact NE2-O 3.47Å; Q27-V146 HydrophobicContact CG-CG1 3.35Å
28V90.3Very high86Confident11 Ų1166.6 Ų66.67%0.06730%0.302CS..Hα-helixtrans-61.2-42.4172.8176.90000110.5C17 E18 L23 I24 Q25 I30 C31 K32C17-V28 HydrophobicContact CB-CG1 4.48Å; E18-V28 HydrophobicContact CG-CG1 4.27Å; L23-V28 HydrophobicContact CB-CG2 3.74Å; L23-V28 HydrophobicContact CD1-CG2 4.5Å; I24-V28 PolarHBondContact O-N 3.22Å; Q25-V28 PolarHBondContact O-N 3.18Å; V28-I30 VanDerWaalsContact C-N 3.34Å; V28-I30 PolarHBondContact O-N 2.91Å; V28-C31 WeakPolarHBondContact O-CB 3.2Å; V28-C31 PolarHBondContact O-N 3.27Å; V28-K32 WeakPolarHBondContact O-CG 3.39Å; V28-K32 PolarHBondContact O-N 3.12Å
29Q92.2Very high86.4Confident96 Ų9661.9 Ų61.945%0.44928%0.281SS..Hα-helixtrans-61.5-40.3175-71.1171.6-23.300112.7Q25 R26 Q27 R33Q25-Q29 WeakPolarHBondContact O-CG 3.32Å; Q25-Q29 PolarHBondContact O-N 2.77Å; R26-Q29 WeakPolarHBondContact O-CB 3.3Å; R26-Q29 PolarHBondContact O-N 3.47Å; Q27-Q29 VanDerWaalsContact C-N 3.31Å; Q27-Q29 PolarHBondContact O-N 2.98Å; Q29-R33 WeakPolarHBondContact O-CG 3.34Å; Q29-R33 PolarHBondContact O-N 3.15Å
30I92.4Very high87.2Confident34 Ų3453.6 Ų53.617%0.17425%0.25CC..Hα-helixtrans-66.6-44174.8-62.5164.6000110.2R26 Q27 V28 K32 R33 S34 S142 F143 V146R26-I30 WeakPolarHBondContact O-CG1 3.3Å; R26-I30 PolarHBondContact O-N 3.31Å; R26-I30 VanDerWaalsContact O-N 3.14Å; Q27-I30 PolarHBondContact O-N 3.24Å; V28-I30 VanDerWaalsContact C-N 3.34Å; V28-I30 PolarHBondContact O-N 2.91Å; I30-K32 VanDerWaalsContact C-N 3.35Å; I30-K32 PolarHBondContact O-N 3.26Å; I30-R33 PolarHBondContact O-N 3Å; I30-R33 VanDerWaalsContact O-N 3.15Å; I30-S34 PolarHBondContact O-N 3.06Å; I30-S142 WeakPolarHBondContact CD1-O 3.29Å; I30-F143 HydrophobicContact CB-CD2 4.15Å; I30-F143 HydrophobicContact CG2-CD2 3.81Å; I30-V146 HydrophobicContact CD1-CG1 4.27Å
31C91.5Very high88.1Confident0 Ų053 Ų530%025%0.246CC..Hα-helixtrans-54.4-49.6176.5-176.70000111.3C17 L23 Q27 V28 R33 S34 V35 M38C17-C31 VanDerWaalsContact CA-SG 3.59Å; C17-C31 HydrophobicContact CB-CB 3.71Å; C17-C31 WeakPolarHBondContact CB-SG 3.33Å; C17-C31 WeakPolarHBondContact SG-CB 3.06Å; C17-C31 CovalentContact SG-SG 2.04Å; C17-C31 PolarHBondContact SG-SG 3.08Å; L23-C31 HydrophobicContact CD1-CB 4.4Å; Q27-C31 WeakPolarHBondContact O-CB 3.03Å; Q27-C31 PolarHBondContact O-N 3.12Å; V28-C31 WeakPolarHBondContact O-CB 3.2Å; V28-C31 PolarHBondContact O-N 3.27Å; C31-R33 VanDerWaalsContact C-N 3.33Å; C31-R33 PolarHBondContact O-N 2.01Å; C31-S34 CarbonylContact O-C 3.58Å; C31-S34 VanDerWaalsContact O-C 3.28Å; C31-S34 PolarHBondContact O-N 3.09Å; C31-S34 VanDerWaalsContact O-N 3.16Å; C31-V35 WeakPolarHBondContact O-CA 3.34Å; C31-V35 VanDerWaalsContact O-CG2 3.28Å; C31-V35 WeakPolarHBondContact O-CG2 3.39Å; C31-V35 PolarHBondContact O-N 3.12Å; C31-M38 HydrophobicContact CB-CE 4.16Å; C31-M38 HydrophobicContact CB-CG 4.29Å; C31-M38 HydrophobicContact CB-SD 3.98Å
32K91.7Very high89Confident56 Ų5645.8 Ų45.824%0.24322%0.219CC..Hα-helixtrans-61.8-37.4178.1-70.4-172.7173.1-159.10113.3E14 C17 E18 V28 I30 S34 V35E14-K32 HydrophobicContact CB-CD 4.47Å; E14-K32 HydrophobicContact CB-CG 4.1Å; E14-K32 HydrophobicContact CG-CB 4.17Å; E14-K32 HydrophobicContact CG-CG 4.24Å; C17-K32 HydrophobicContact CB-CG 3.94Å; E18-K32 VanDerWaalsContact CG-CE 3.47Å; E18-K32 VanDerWaalsContact OE1-CE 3.29Å; E18-K32 WeakPolarHBondContact OE1-CE 3.35Å; E18-K32 IonicContact OE1-NZ 3.77Å; E18-K32 PolarHBondContact OE1-NZ 2.84Å; V28-K32 WeakPolarHBondContact O-CG 3.39Å; V28-K32 PolarHBondContact O-N 3.12Å; I30-K32 VanDerWaalsContact C-N 3.35Å; I30-K32 PolarHBondContact O-N 3.26Å; K32-S34 VanDerWaalsContact C-N 3.29Å; K32-S34 PolarHBondContact O-N 3.18Å; K32-V35 WeakPolarHBondContact O-CG2 3.25Å
33R92.2Very high90.1Very high200 Ų20047.9 Ų47.976%0.75521%0.213SC*.Hα-helixtrans-75.2-18.5178.2-70.3175-178.9-172.1-0.5113.5Q29 I30 C31Q29-R33 WeakPolarHBondContact O-CG 3.34Å; Q29-R33 PolarHBondContact O-N 3.15Å; I30-R33 PolarHBondContact O-N 3Å; I30-R33 VanDerWaalsContact O-N 3.15Å; C31-R33 VanDerWaalsContact C-N 3.33Å; C31-R33 PolarHBondContact O-N 2.01Å
34S91.3Very high90.7Very high31 Ų3147 Ų4722%0.21721%0.209CC..THydrogen-bonded Turntrans-137.540.9-171.4-56.80000111.6I30 C31 K32 E36 V37 M38I30-S34 PolarHBondContact O-N 3.06Å; C31-S34 CarbonylContact O-C 3.58Å; C31-S34 VanDerWaalsContact O-C 3.28Å; C31-S34 PolarHBondContact O-N 3.09Å; C31-S34 VanDerWaalsContact O-N 3.16Å; K32-S34 VanDerWaalsContact C-N 3.29Å; K32-S34 PolarHBondContact O-N 3.18Å; S34-E36 PolarHBondContact O-N 3.18Å; S34-V37 WeakPolarHBondContact O-CB 2.96Å; S34-V37 PolarHBondContact O-N 3.31Å; S34-M38 WeakPolarHBondContact O-CG 3.16Å; S34-M38 PolarHBondContact O-N 3.2Å
35V90.8Very high90.9Very high25 Ų2544.4 Ų44.415%0.15220%0.196CC..Hα-helixtrans-53.3-42.1-176.3176.30000111.4E14 C31 K32 V37 M38E14-V35 HydrophobicContact CG-CG2 3.98Å; C31-V35 WeakPolarHBondContact O-CA 3.34Å; C31-V35 VanDerWaalsContact O-CG2 3.28Å; C31-V35 WeakPolarHBondContact O-CG2 3.39Å; C31-V35 PolarHBondContact O-N 3.12Å; K32-V35 WeakPolarHBondContact O-CG2 3.25Å; V35-V37 PolarHBondContact O-N 3.16Å; V35-V37 VanDerWaalsContact O-N 3.15Å; V35-M38 WeakPolarHBondContact O-CB 3.13Å; V35-M38 PolarHBondContact O-N 2.81Å
36E90.4Very high90.9Very high70 Ų7041 Ų4133%0.32718%0.18SC..Hα-helixtrans-54.3-33.5177.670-162.215200113.5S34 L107 K109S34-E36 PolarHBondContact O-N 3.18Å; E36-L107 HydrophobicContact CB-CD2 4.49Å; E36-L107 HydrophobicContact CG-CD2 4.41Å; E36-L107 VanDerWaalsContact O-CD2 3.27Å; E36-L107 WeakPolarHBondContact O-CD2 3.12Å; E36-K109 WeakPolarHBondContact OE1-CD 3.18Å; E36-K109 VanDerWaalsContact OE1-CE 3.23Å; E36-K109 WeakPolarHBondContact OE1-CE 3.23Å; E36-K109 IonicContact OE1-NZ 2.7Å; E36-K109 PolarHBondContact OE1-NZ 2.7Å; E36-K109 IonicContact OE2-NZ 3.65Å
37V92.6Very high91.2Very high2 Ų238.3 Ų38.31%0.01217%0.173CC..Hα-helixtrans-82.1-19.8-178.4-171.50000111.4S34 V35 D39 A40 V41 V98 L107 F139S34-V37 WeakPolarHBondContact O-CB 2.96Å; S34-V37 PolarHBondContact O-N 3.31Å; V35-V37 PolarHBondContact O-N 3.16Å; V35-V37 VanDerWaalsContact O-N 3.15Å; V37-D39 VanDerWaalsContact C-N 3.28Å; V37-D39 PolarHBondContact O-N 3.09Å; V37-A40 WeakPolarHBondContact O-CA 2.98Å; V37-A40 WeakPolarHBondContact O-CB 3.47Å; V37-A40 PolarHBondContact O-N 2.78Å; V37-V41 HydrophobicContact CG1-CG2 4.37Å; V37-V41 PolarHBondContact O-N 3.27Å; V37-V98 HydrophobicContact CG1-CB 4.48Å; V37-V98 HydrophobicContact CG1-CG1 3.99Å; V37-V98 HydrophobicContact CG1-CG2 3.78Å; V37-L107 HydrophobicContact CG1-CD1 4.35Å; V37-L107 HydrophobicContact CG2-CD1 4.24Å; V37-L107 HydrophobicContact CG2-CD2 4.5Å; V37-F139 HydrophobicContact CB-CE2 4.01Å; V37-F139 HydrophobicContact CB-CZ 4.14Å; V37-F139 HydrophobicContact CG1-CD1 4.42Å; V37-F139 HydrophobicContact CG1-CD2 4.08Å; V37-F139 HydrophobicContact CG1-CE1 4.07Å; V37-F139 HydrophobicContact CG1-CE2 3.67Å; V37-F139 HydrophobicContact CG1-CG 4.44Å; V37-F139 HydrophobicContact CG1-CZ 3.66Å; V37-F139 HydrophobicContact CG2-CE2 4.34Å
38M91.1Very high91.3Very high0 Ų037.8 Ų37.80%017%0.171CC..Hα-helixtrans-67.9-26.4-169-65.1-56.9-52.900113.5I11 C31 S34 V35 A40 V41 R42 F143I11-M38 HydrophobicContact CB-CB 4.13Å; I11-M38 HydrophobicContact CD1-CB 3.92Å; I11-M38 HydrophobicContact CG2-CB 3.83Å; C31-M38 HydrophobicContact CB-CE 4.16Å; C31-M38 HydrophobicContact CB-CG 4.29Å; C31-M38 HydrophobicContact CB-SD 3.98Å; S34-M38 WeakPolarHBondContact O-CG 3.16Å; S34-M38 PolarHBondContact O-N 3.2Å; V35-M38 WeakPolarHBondContact O-CB 3.13Å; V35-M38 PolarHBondContact O-N 2.81Å; M38-A40 VanDerWaalsContact C-N 3.34Å; M38-V41 HydrophobicContact CE-CB 4.1Å; M38-V41 HydrophobicContact CE-CG1 4.08Å; M38-V41 HydrophobicContact CE-CG2 4.35Å; M38-V41 WeakPolarHBondContact O-CB 3.04Å; M38-V41 PolarHBondContact O-N 2.54Å; M38-V41 HydrophobicContact SD-CB 4.46Å; M38-V41 HydrophobicContact SD-CG2 4.12Å; M38-R42 PolarHBondContact O-N 3.41Å; M38-F143 HydrophobicContact CE-CE2 3.96Å; M38-F143 HydrophobicContact CE-CZ 3.82Å; M38-F143 HydrophobicContact SD-CE2 4.18Å
39D89.8Confident91.2Very high23 Ų2337.6 Ų37.612%0.12317%0.169CC..Hα-helixtrans-63.9-40.9171.4-156.495000111.4S10 V37 R42 R43S10-D39 WeakPolarHBondContact CA-OD1 3.39Å; S10-D39 PolarHBondContact OG-OD1 3.39Å; V37-D39 VanDerWaalsContact C-N 3.28Å; V37-D39 PolarHBondContact O-N 3.09Å; D39-R42 WeakPolarHBondContact O-CB 3.01Å; D39-R42 PolarHBondContact O-N 3Å; D39-R42 IonicContact OD1-CZ 3.85Å; D39-R42 IonicContact OD1-NE 3.91Å; D39-R42 IonicContact OD1-NH1 3.35Å; D39-R42 IonicContact OD1-NH2 3.63Å; D39-R42 PolarHBondContact OD1-NH2 3.17Å; D39-R42 IonicContact OD2-CZ 2.61Å; D39-R42 IonicContact OD2-NE 3.41Å; D39-R42 IonicContact OD2-NH2 3.16Å; D39-R42 PolarHBondContact OD2-NH2 3.29Å; D39-R43 WeakPolarHBondContact O-CG 3.17Å; D39-R43 PolarHBondContact O-N 3.46Å; D39-R43 IonicContact OD2-CZ 3.35Å; D39-R43 IonicContact OD2-NH1 3.52Å; D39-R43 PolarHBondContact OD2-NH1 2.94Å
40A93.9Very high91.2Very high1 Ų136.6 Ų36.61%0.00817%0.167CC..Hα-helixtrans-65.3-39.9173.200000111.5V37 M38 R42 R43 G44 A97 V98 A101V37-A40 WeakPolarHBondContact O-CA 2.98Å; V37-A40 WeakPolarHBondContact O-CB 3.47Å; V37-A40 PolarHBondContact O-N 2.78Å; M38-A40 VanDerWaalsContact C-N 3.34Å; A40-R42 VanDerWaalsContact C-N 3.34Å; A40-R42 PolarHBondContact O-N 3.5Å; A40-R43 PolarHBondContact O-N 2.57Å; A40-R43 VanDerWaalsContact O-N 3.16Å; A40-G44 PolarHBondContact O-N 2.84Å; A40-A97 VanDerWaalsContact O-CB 3.25Å; A40-A97 WeakPolarHBondContact O-CB 3.35Å; A40-V98 HydrophobicContact CB-CG2 4.47Å; A40-A101 HydrophobicContact CB-CB 3.75Å
41V92.3Very high91.4Very high0 Ų035.3 Ų35.30%016%0.16CC..Hα-helixtrans-59.9-43.71741790000111.1V37 M38 R43 G44 A45 V94 V98 F139 F143V37-V41 HydrophobicContact CG1-CG2 4.37Å; V37-V41 PolarHBondContact O-N 3.27Å; M38-V41 HydrophobicContact CE-CB 4.1Å; M38-V41 HydrophobicContact CE-CG1 4.08Å; M38-V41 HydrophobicContact CE-CG2 4.35Å; M38-V41 WeakPolarHBondContact O-CB 3.04Å; M38-V41 PolarHBondContact O-N 2.54Å; M38-V41 HydrophobicContact SD-CB 4.46Å; M38-V41 HydrophobicContact SD-CG2 4.12Å; V41-R43 VanDerWaalsContact C-N 3.35Å; V41-R43 PolarHBondContact O-N 3.28Å; V41-G44 PolarHBondContact O-N 3.27Å; V41-A45 WeakPolarHBondContact O-CB 2.71Å; V41-A45 PolarHBondContact O-N 2.77Å; V41-V94 HydrophobicContact CG1-CG2 4.45Å; V41-V98 HydrophobicContact CG2-CG2 4.34Å; V41-F139 HydrophobicContact CG2-CD1 4.46Å; V41-F139 HydrophobicContact CG2-CE1 3.4Å; V41-F139 VanDerWaalsContact CG2-CE1 3.4Å; V41-F139 HydrophobicContact CG2-CZ 3.8Å; V41-F143 HydrophobicContact CG1-CD1 4.25Å; V41-F143 HydrophobicContact CG1-CE1 3.74Å; V41-F143 HydrophobicContact CG1-CZ 4.21Å
42R88.6Confident91.6Very high44 Ų4435.5 Ų35.517%0.16616%0.161CC..Hα-helixtrans-60.7-39.2173.8170.7-170.972171.65.3112.9L5 V8 G9 I11 M38 D39 A40 A45 Q46L5-R42 VanDerWaalsContact C-CG 3.42Å; L5-R42 HydrophobicContact CB-CB 4.05Å; L5-R42 HydrophobicContact CB-CG 3.95Å; L5-R42 HydrophobicContact CD2-CB 4.26Å; L5-R42 WeakPolarHBondContact O-CD 3.15Å; L5-R42 WeakPolarHBondContact O-CG 3.4Å; V8-R42 PolarHBondContact O-NH1 3.07Å; G9-R42 PolarHBondContact O-NH1 3.35Å; G9-R42 VanDerWaalsContact O-NH1 3.11Å; I11-R42 HydrophobicContact CD1-CB 4.24Å; M38-R42 PolarHBondContact O-N 3.41Å; D39-R42 WeakPolarHBondContact O-CB 3.01Å; D39-R42 PolarHBondContact O-N 3Å; D39-R42 IonicContact OD1-CZ 3.85Å; D39-R42 IonicContact OD1-NE 3.91Å; D39-R42 IonicContact OD1-NH1 3.35Å; D39-R42 IonicContact OD1-NH2 3.63Å; D39-R42 PolarHBondContact OD1-NH2 3.17Å; D39-R42 IonicContact OD2-CZ 2.61Å; D39-R42 IonicContact OD2-NE 3.41Å; D39-R42 IonicContact OD2-NH2 3.16Å; D39-R42 PolarHBondContact OD2-NH2 3.29Å; A40-R42 VanDerWaalsContact C-N 3.34Å; A40-R42 PolarHBondContact O-N 3.5Å; R42-A45 WeakPolarHBondContact O-CB 2.96Å; R42-Q46 PolarHBondContact O-N 3.02Å; R42-Q46 VanDerWaalsContact O-N 3.14Å
43R90.8Very high91.6Very high88 Ų8836 Ų3633%0.33217%0.165SC..Hα-helixtrans-71.4-41.5176.8-67.7-175.8-52.2-117.912.6111.3D39 A40 V41 A45 Q46 L47 E106D39-R43 WeakPolarHBondContact O-CG 3.17Å; D39-R43 PolarHBondContact O-N 3.46Å; D39-R43 IonicContact OD2-CZ 3.35Å; D39-R43 IonicContact OD2-NH1 3.52Å; D39-R43 PolarHBondContact OD2-NH1 2.94Å; A40-R43 PolarHBondContact O-N 2.57Å; A40-R43 VanDerWaalsContact O-N 3.16Å; V41-R43 VanDerWaalsContact C-N 3.35Å; V41-R43 PolarHBondContact O-N 3.28Å; R43-A45 PolarHBondContact O-N 2.67Å; R43-Q46 PolarHBondContact O-N 2.83Å; R43-L47 VanDerWaalsContact O-CB 3.3Å; R43-L47 WeakPolarHBondContact O-CB 3.12Å; R43-L47 PolarHBondContact O-N 3.47Å; R43-E106 IonicContact CZ-OE2 3.73Å; R43-E106 IonicContact NH1-OE2 2.99Å; R43-E106 PolarHBondContact NH1-OE2 3.4Å; R43-E106 IonicContact NH2-OE1 2.79Å; R43-E106 IonicContact NH2-OE2 3.77Å; R43-E106 PolarHBondContact NH2-OE2 3.21Å
44G93.2Very high91.7Very high0 Ų029.4 Ų29.40%014%0.142CC..Hα-helixtrans-59.5-37.7173.400000112.1A40 V41 L47 A48 S93 A97A40-G44 PolarHBondContact O-N 2.84Å; V41-G44 PolarHBondContact O-N 3.27Å; G44-L47 PolarHBondContact O-N 2.81Å; G44-A48 PolarHBondContact O-N 3.35Å; G44-S93 WeakPolarHBondContact CA-O 3.49Å; G44-S93 WeakPolarHBondContact O-CB 3.37Å; G44-S93 PolarHBondContact O-OG 3.42Å; G44-A97 VanDerWaalsContact CA-CB 3.44Å
45A87.6Confident92Very high0 Ų029.1 Ų29.10%014%0.137CC..Hα-helixtrans-56.5-51.1171.100000115.3L2 V41 R42 R43 A48 I49L2-A45 HydrophobicContact CB-CB 3.18Å; L2-A45 VanDerWaalsContact CD1-CA 3.49Å; L2-A45 HydrophobicContact CD1-CB 3.45Å; L2-A45 VanDerWaalsContact CD1-CB 3.45Å; L2-A45 HydrophobicContact CD2-CB 3.35Å; L2-A45 HydrophobicContact CG-CB 3.35Å; V41-A45 WeakPolarHBondContact O-CB 2.71Å; V41-A45 PolarHBondContact O-N 2.77Å; R42-A45 WeakPolarHBondContact O-CB 2.96Å; R43-A45 PolarHBondContact O-N 2.67Å; A45-A48 PolarHBondContact O-N 3.33Å; A45-I49 WeakPolarHBondContact O-CG1 3.39Å; A45-I49 PolarHBondContact O-N 2.95Å
46Q88.6Confident92.1Very high63 Ų6328 Ų2829%0.29413%0.13SC..Hα-helixtrans-64.9-44.1175.6-173.757.242.300110.7S6 R42 R43 A48 I49 D50S6-Q46 PolarHBondContact OG-OE1 3.44Å; R42-Q46 PolarHBondContact O-N 3.02Å; R42-Q46 VanDerWaalsContact O-N 3.14Å; R43-Q46 PolarHBondContact O-N 2.83Å; Q46-A48 VanDerWaalsContact C-N 3.27Å; Q46-A48 PolarHBondContact O-N 2.85Å; Q46-I49 WeakPolarHBondContact O-CB 3.36Å; Q46-I49 PolarHBondContact O-N 3.34Å; Q46-D50 PolarHBondContact NE2-OD1 3.01Å; Q46-D50 PolarHBondContact O-N 3.04Å
47L93.5Very high92.2Very high48 Ų4830.6 Ų30.625%0.25114%0.137SC..Hα-helixtrans-57.4-38.1178.2-177.863.7000112.7R43 G44 E51 F96 F201R43-L47 VanDerWaalsContact O-CB 3.3Å; R43-L47 WeakPolarHBondContact O-CB 3.12Å; R43-L47 PolarHBondContact O-N 3.47Å; G44-L47 PolarHBondContact O-N 2.81Å; L47-E51 VanDerWaalsContact O-CB 3.25Å; L47-E51 WeakPolarHBondContact O-CB 3.49Å; L47-E51 PolarHBondContact O-N 2.88Å; L47-F96 HydrophobicContact CD2-CD1 3.64Å; L47-F96 HydrophobicContact CD2-CE1 4.02Å; L47-F201 HydrophobicContact CD1-CB 4.24Å; L47-F201 HydrophobicContact CD1-CD1 3.56Å; L47-F201 HydrophobicContact CD1-CE1 4.19Å; L47-F201 HydrophobicContact CD1-CG 4.05Å; L47-F201 HydrophobicContact CD2-CB 4.11Å; L47-F201 HydrophobicContact CD2-CD1 3.69Å; L47-F201 HydrophobicContact CD2-CD2 3.86Å; L47-F201 HydrophobicContact CD2-CE1 4.02Å; L47-F201 HydrophobicContact CD2-CE2 4.2Å; L47-F201 HydrophobicContact CD2-CG 3.59Å; L47-F201 HydrophobicContact CD2-CZ 4.28Å; L47-F201 HydrophobicContact CG-CB 4.5Å; L47-F201 HydrophobicContact CG-CD1 3.39Å; L47-F201 HydrophobicContact CG-CD2 4.45Å; L47-F201 HydrophobicContact CG-CE1 3.59Å; L47-F201 HydrophobicContact CG-CG 3.86Å; L47-F201 HydrophobicContact CG-CZ 4.23Å
48A92.9Very high92.1Very high2 Ų234.3 Ų34.32%0.01716%0.157CC..Hα-helixtrans-64-42175.500000112.1G44 A45 Q46 C52 I89 S93G44-A48 PolarHBondContact O-N 3.35Å; A45-A48 PolarHBondContact O-N 3.33Å; Q46-A48 VanDerWaalsContact C-N 3.27Å; Q46-A48 PolarHBondContact O-N 2.85Å; A48-C52 WeakPolarHBondContact O-CB 3Å; A48-C52 PolarHBondContact O-N 3.23Å; A48-I89 HydrophobicContact CB-CG2 4.46Å; A48-S93 VanDerWaalsContact CB-OG 3.23Å; A48-S93 WeakPolarHBondContact CB-OG 3.29Å
49I88.5Confident92.2Very high6 Ų637.6 Ų37.63%0.03117%0.169CC..Hα-helixtrans-67.2-50.7179.6-62.7163.2000109.7A3 A45 Q46 E51 C52 Q53 T65 V71A3-I49 HydrophobicContact CB-CD1 3.46Å; A3-I49 VanDerWaalsContact CB-CD1 3.46Å; A45-I49 WeakPolarHBondContact O-CG1 3.39Å; A45-I49 PolarHBondContact O-N 2.95Å; Q46-I49 WeakPolarHBondContact O-CB 3.36Å; Q46-I49 PolarHBondContact O-N 3.34Å; I49-E51 VanDerWaalsContact C-N 3.28Å; I49-E51 PolarHBondContact O-N 3.41Å; I49-C52 PolarHBondContact O-N 3.07Å; I49-Q53 HydrophobicContact CG2-CG 4.3Å; I49-Q53 WeakPolarHBondContact O-CB 3.46Å; I49-Q53 WeakPolarHBondContact O-CG 3.24Å; I49-Q53 PolarHBondContact O-N 3.05Å; I49-T65 HydrophobicContact CG1-CG2 4.31Å; I49-T65 HydrophobicContact CG2-CG2 3.99Å; I49-V71 HydrophobicContact CD1-CG2 3.71Å; I49-V71 HydrophobicContact CG1-CG1 4.45Å; I49-V71 HydrophobicContact CG1-CG2 3.76Å
50D92.3Very high92.3Very high76 Ų7640.1 Ų40.141%0.40618%0.177SC..Hα-helixtrans-58.8-44.2-178.3-66-19.6000110.7Q46 F54Q46-D50 PolarHBondContact NE2-OD1 3.01Å; Q46-D50 PolarHBondContact O-N 3.04Å; D50-F54 VanDerWaalsContact O-CB 3.24Å; D50-F54 WeakPolarHBondContact O-CB 3.42Å; D50-F54 PolarHBondContact O-N 2.82Å
51E96.9Very high92.1Very high6 Ų640.9 Ų40.93%0.02818%0.18CC..Hα-helixtrans-71.8-37.7179.4-169.457-15500111.9L47 I49 F54 Q55 I89 F201 R202L47-E51 VanDerWaalsContact O-CB 3.25Å; L47-E51 WeakPolarHBondContact O-CB 3.49Å; L47-E51 PolarHBondContact O-N 2.88Å; I49-E51 VanDerWaalsContact C-N 3.28Å; I49-E51 PolarHBondContact O-N 3.41Å; E51-F54 WeakPolarHBondContact O-CB 3.02Å; E51-F54 PolarHBondContact O-N 2.82Å; E51-Q55 HydrophobicContact CG-CG 4.4Å; E51-Q55 WeakPolarHBondContact O-CB 3.11Å; E51-Q55 VanDerWaalsContact O-CG 3.24Å; E51-Q55 WeakPolarHBondContact O-CG 3.44Å; E51-Q55 PolarHBondContact O-N 2.8Å; E51-Q55 PolarHBondContact OE1-NE2 2.94Å; E51-I89 HydrophobicContact CB-CG1 4.5Å; E51-I89 HydrophobicContact CG-CD1 4.11Å; E51-F201 HydrophobicContact CB-CD1 3.96Å; E51-F201 HydrophobicContact CB-CE1 3.68Å; E51-F201 HydrophobicContact CG-CD1 3.97Å; E51-F201 HydrophobicContact CG-CE1 3.86Å; E51-R202 VanDerWaalsContact CD-NE 3.33Å; E51-R202 VanDerWaalsContact OE1-CD 3.28Å; E51-R202 WeakPolarHBondContact OE1-CD 3.48Å; E51-R202 IonicContact OE1-NE 3.99Å; E51-R202 PolarHBondContact OE1-NE 2.92Å; E51-R202 IonicContact OE2-CZ 3.78Å; E51-R202 IonicContact OE2-NE 2.96Å; E51-R202 PolarHBondContact OE2-NE 2.04Å; E51-R202 IonicContact OE2-NH2 2.72Å; E51-R202 PolarHBondContact OE2-NH2 2.92Å; E51-R202 VanDerWaalsContact OE2-NH2 3.07Å
52C93.9Very high92Very high4 Ų443.1 Ų43.13%0.02719%0.191CC..Hα-helixtrans-63.9-47.2175.4-171.40000111.8A48 I49 F54 Q55 F56 C63 F85A48-C52 WeakPolarHBondContact O-CB 3Å; A48-C52 PolarHBondContact O-N 3.23Å; I49-C52 PolarHBondContact O-N 3.07Å; C52-F54 VanDerWaalsContact C-N 3.29Å; C52-F54 PolarHBondContact O-N 3Å; C52-Q55 PolarHBondContact O-N 2.79Å; C52-F56 WeakPolarHBondContact O-CB 3.47Å; C52-F56 WeakPolarHBondContact O-CD2 3.39Å; C52-F56 PolarHBondContact O-N 3.16Å; C52-C63 HydrophobicContact CB-CB 3.9Å; C52-C63 WeakPolarHBondContact CB-SG 3.25Å; C52-C63 WeakPolarHBondContact SG-CB 3.32Å; C52-C63 CovalentContact SG-SG 2.02Å; C52-C63 PolarHBondContact SG-SG 2.02Å; C52-F85 HydrophobicContact CB-CE1 4Å
53Q92.3Very high91.9Very high67 Ų6741.6 Ų41.631%0.31319%0.187SC..Hα-helixtrans-61.1-41174.5-72176.6-0.500111.3I49 F56 R57 C63I49-Q53 HydrophobicContact CG2-CG 4.3Å; I49-Q53 WeakPolarHBondContact O-CB 3.46Å; I49-Q53 WeakPolarHBondContact O-CG 3.24Å; I49-Q53 PolarHBondContact O-N 3.05Å; Q53-F56 PolarHBondContact O-N 2.73Å; Q53-R57 WeakPolarHBondContact O-CA 3.16Å; Q53-R57 WeakPolarHBondContact O-CB 3.37Å; Q53-R57 PolarHBondContact O-N 3.13Å; Q53-C63 HydrophobicContact CG-CB 4.34Å; Q53-C63 VanDerWaalsContact CG-O 3.28Å; Q53-C63 WeakPolarHBondContact CG-O 3.07Å
54F95.4Very high91.4Very high61 Ų6138.8 Ų38.827%0.26818%0.181SC..Hα-helixtrans-58.4-55.1173.6-179.7-93000110.7D50 E51 C52 F56 R57 R202D50-F54 VanDerWaalsContact O-CB 3.24Å; D50-F54 WeakPolarHBondContact O-CB 3.42Å; D50-F54 PolarHBondContact O-N 2.82Å; E51-F54 WeakPolarHBondContact O-CB 3.02Å; E51-F54 PolarHBondContact O-N 2.82Å; C52-F54 VanDerWaalsContact C-N 3.29Å; C52-F54 PolarHBondContact O-N 3Å; F54-F56 PolarHBondContact O-N 3.09Å; F54-R57 WeakPolarHBondContact O-CD 3.35Å; F54-R57 VanDerWaalsContact O-CG 3.24Å; F54-R57 WeakPolarHBondContact O-CG 3.34Å; F54-R57 PolarHBondContact O-N 2.73Å; F54-R57 PolarHBondContact O-NH1 2.63Å; F54-R202 VanDerWaalsContact CD1-NE 3.29Å; F54-R202 VanDerWaalsContact CE1-CD 3.43Å; F54-R202 VanDerWaalsContact CE1-NE 3.33Å; F54-R202 VanDerWaalsContact CE2-NH1 3.31Å
55Q96.4Very high90.2Very high25 Ų2540.8 Ų40.812%0.11719%0.194CC..Hα-helixtrans-62-30-176.3-69.1-60.7-22.200113.2E51 C52 F85 N206 K209E51-Q55 HydrophobicContact CG-CG 4.4Å; E51-Q55 WeakPolarHBondContact O-CB 3.11Å; E51-Q55 VanDerWaalsContact O-CG 3.24Å; E51-Q55 WeakPolarHBondContact O-CG 3.44Å; E51-Q55 PolarHBondContact O-N 2.8Å; E51-Q55 PolarHBondContact OE1-NE2 2.94Å; C52-Q55 PolarHBondContact O-N 2.79Å; Q55-F85 HydrophobicContact CB-CZ 4.05Å; Q55-F85 HydrophobicContact CG-CZ 4.02Å; Q55-N206 PolarHBondContact NE2-OD1 2.84Å; Q55-K209 HydrophobicContact CB-CD 4.21Å; Q55-K209 HydrophobicContact CB-CG 4.45Å; Q55-K209 HydrophobicContact CG-CB 4.34Å
56F93.6Very high88.6Confident3 Ų344.3 Ų44.31%0.01321%0.212CC..Hα-helixtrans-106.94.5-175.8-73.9-94.5000114.9C52 Q53 F54 N58 R59 W61 N62 C63 F85 K209 F212C52-F56 WeakPolarHBondContact O-CB 3.47Å; C52-F56 WeakPolarHBondContact O-CD2 3.39Å; C52-F56 PolarHBondContact O-N 3.16Å; Q53-F56 PolarHBondContact O-N 2.73Å; F54-F56 PolarHBondContact O-N 3.09Å; F56-N58 PolarHBondContact O-N 3.39Å; F56-R59 HydrophobicContact CD1-CB 3.96Å; F56-R59 HydrophobicContact CD1-CG 3.89Å; F56-R59 PolarHBondContact O-N 2.95Å; F56-W61 HydrophobicContact CB-CE3 4.22Å; F56-W61 HydrophobicContact CB-CZ3 4.29Å; F56-W61 AromaticContact CD1-CE3 3.43Å; F56-W61 HydrophobicContact CD1-CE3 3.43Å; F56-W61 VanDerWaalsContact CD1-CE3 3.43Å; F56-W61 AromaticContact CD1-CZ3 3.64Å; F56-W61 HydrophobicContact CD1-CZ3 3.64Å; F56-W61 HydrophobicContact CD2-CE3 4.39Å; F56-W61 AromaticContact CD2-CZ3 3.79Å; F56-W61 HydrophobicContact CD2-CZ3 3.79Å; F56-W61 AromaticContact CE1-CE3 3.78Å; F56-W61 HydrophobicContact CE1-CE3 3.78Å; F56-W61 AromaticContact CE1-CZ3 3.8Å; F56-W61 HydrophobicContact CE1-CZ3 3.8Å; F56-W61 AromaticContact CE2-CZ3 3.97Å; F56-W61 HydrophobicContact CE2-CZ3 3.97Å; F56-W61 AromaticContact CG-CE3 3.76Å; F56-W61 HydrophobicContact CG-CE3 3.76Å; F56-W61 AromaticContact CG-CZ3 3.63Å; F56-W61 HydrophobicContact CG-CZ3 3.63Å; F56-W61 HydrophobicContact CZ-CE3 4.41Å; F56-W61 AromaticContact CZ-CZ3 3.96Å; F56-W61 HydrophobicContact CZ-CZ3 3.96Å; F56-N62 WeakPolarHBondContact O-CA 3.33Å; F56-C63 HydrophobicContact CB-CB 4.26Å; F56-F85 HydrophobicContact CD2-CD1 4.36Å; F56-F85 HydrophobicContact CD2-CE1 4.19Å; F56-F85 HydrophobicContact CD2-CZ 4.5Å; F56-F85 HydrophobicContact CE2-CB 4.46Å; F56-F85 AromaticContact CE2-CD1 3.54Å; F56-F85 HydrophobicContact CE2-CD1 3.54Å; F56-F85 AromaticContact CE2-CD2 3.89Å; F56-F85 HydrophobicContact CE2-CD2 3.89Å; F56-F85 AromaticContact CE2-CE1 3.65Å; F56-F85 HydrophobicContact CE2-CE1 3.65Å; F56-F85 AromaticContact CE2-CE2 3.98Å; F56-F85 HydrophobicContact CE2-CE2 3.98Å; F56-F85 AromaticContact CE2-CG 3.68Å; F56-F85 HydrophobicContact CE2-CG 3.68Å; F56-F85 AromaticContact CE2-CZ 3.87Å; F56-F85 HydrophobicContact CE2-CZ 3.87Å; F56-F85 HydrophobicContact CZ-CB 4.4Å; F56-F85 HydrophobicContact CZ-CD1 4.28Å; F56-F85 HydrophobicContact CZ-CD2 4.26Å; F56-F85 HydrophobicContact CZ-CG 4.05Å; F56-K209 HydrophobicContact CE2-CD 4.02Å; F56-K209 HydrophobicContact CZ-CD 4.07Å; F56-F212 HydrophobicContact CE1-CD1 4.35Å; F56-F212 AromaticContact CE1-CE1 3.76Å; F56-F212 HydrophobicContact CE1-CE1 3.76Å; F56-F212 AromaticContact CE1-CE2 3.92Å; F56-F212 HydrophobicContact CE1-CE2 3.92Å; F56-F212 AromaticContact CE1-CZ 3.52Å; F56-F212 HydrophobicContact CE1-CZ 3.52Å; F56-F212 AromaticContact CZ-CD1 4Å; F56-F212 HydrophobicContact CZ-CD1 4Å; F56-F212 AromaticContact CZ-CD2 3.88Å; F56-F212 HydrophobicContact CZ-CD2 3.88Å; F56-F212 AromaticContact CZ-CE1 3.86Å; F56-F212 HydrophobicContact CZ-CE1 3.86Å; F56-F212 AromaticContact CZ-CE2 3.7Å; F56-F212 HydrophobicContact CZ-CE2 3.7Å; F56-F212 HydrophobicContact CZ-CG 4.02Å; F56-F212 AromaticContact CZ-CZ 3.72Å; F56-F212 HydrophobicContact CZ-CZ 3.72Å
57R92.1Very high86.6Confident123 Ų12349.9 Ų49.946%0.46424%0.238SC..THydrogen-bonded Turntrans-49.6-28.8-179.467.9-168.6-177.5-873.2114.9Q53 F54 R269Q53-R57 WeakPolarHBondContact O-CA 3.16Å; Q53-R57 WeakPolarHBondContact O-CB 3.37Å; Q53-R57 PolarHBondContact O-N 3.13Å; F54-R57 WeakPolarHBondContact O-CD 3.35Å; F54-R57 VanDerWaalsContact O-CG 3.24Å; F54-R57 WeakPolarHBondContact O-CG 3.34Å; F54-R57 PolarHBondContact O-N 2.73Å; F54-R57 PolarHBondContact O-NH1 2.63Å; R57-R269 PolarHBondContact O-NH2 3.2Å
58N90.7Very high84.2Confident81 Ų8153.6 Ų53.643%0.43326%0.263SS..THydrogen-bonded Turntrans-110.615-177.2-72-2.5000113.7F56 D279 M284F56-N58 PolarHBondContact O-N 3.39Å; N58-D279 HydrophobicContact CB-CB 3.93Å; N58-M284 VanDerWaalsContact C-CE 3.42Å; N58-M284 WeakPolarHBondContact O-CE 3.27Å
59R92.1Very high82Confident68 Ų6854.3 Ų54.326%0.25727%0.266SS..SBendtrans-110.5154.4173.6-66-65.8-173.2120.72.5109.7F56 W61 D213 R269F56-R59 HydrophobicContact CD1-CB 3.96Å; F56-R59 HydrophobicContact CD1-CG 3.89Å; F56-R59 PolarHBondContact O-N 2.95Å; R59-W61 VanDerWaalsContact C-N 3.33Å; R59-W61 CarbonylContact C-O 3.56Å; R59-W61 VanDerWaalsContact CB-O 3.32Å; R59-W61 WeakPolarHBondContact CB-O 3.28Å; R59-W61 CarbonylContact O-C 3.56Å; R59-W61 PolarHBondContact O-N 2.88Å; R59-D213 IonicContact CZ-OD1 3.68Å; R59-D213 IonicContact NH1-OD1 3.9Å; R59-D213 IonicContact NH2-OD1 2.76Å; R59-D213 PolarHBondContact NH2-OD1 3.11Å; R59-D213 IonicContact NH2-OD2 3.99Å; R59-R269 VanDerWaalsContact O-CZ 3.24Å; R59-R269 PolarHBondContact O-NH1 3.25Å; R59-R269 PolarHBondContact O-NH2 3.06Å
60R92.3Very high80.2Confident77 Ų7756.2 Ų56.229%0.29128%0.279SS..SBendtrans-55.8-44.1179.4-61.6-176.8-173.8155.92112.7D252 F253 T266 R269 L283R60-D252 IonicContact NH1-OD1 3.6Å; R60-F253 HydrophobicContact CB-CB 3.85Å; R60-T266 HydrophobicContact CB-CG2 3.77Å; R60-T266 HydrophobicContact CG-CG2 3.9Å; R60-R269 VanDerWaalsContact C-NH1 3.29Å; R60-R269 PolarHBondContact O-NH1 2.99Å; R60-L283 VanDerWaalsContact CZ-O 3.23Å; R60-L283 PolarHBondContact NE-O 2.68Å; R60-L283 PolarHBondContact NH2-O 3.36Å
61W90.8Very high78.1Confident17 Ų1753.3 Ų53.36%0.06426%0.264CS..SBendtrans-84.3117160.8-177.483.6000108.7F56 R59 C63 V75 E82 V86 F253F56-W61 HydrophobicContact CB-CE3 4.22Å; F56-W61 HydrophobicContact CB-CZ3 4.29Å; F56-W61 AromaticContact CD1-CE3 3.43Å; F56-W61 HydrophobicContact CD1-CE3 3.43Å; F56-W61 VanDerWaalsContact CD1-CE3 3.43Å; F56-W61 AromaticContact CD1-CZ3 3.64Å; F56-W61 HydrophobicContact CD1-CZ3 3.64Å; F56-W61 HydrophobicContact CD2-CE3 4.39Å; F56-W61 AromaticContact CD2-CZ3 3.79Å; F56-W61 HydrophobicContact CD2-CZ3 3.79Å; F56-W61 AromaticContact CE1-CE3 3.78Å; F56-W61 HydrophobicContact CE1-CE3 3.78Å; F56-W61 AromaticContact CE1-CZ3 3.8Å; F56-W61 HydrophobicContact CE1-CZ3 3.8Å; F56-W61 AromaticContact CE2-CZ3 3.97Å; F56-W61 HydrophobicContact CE2-CZ3 3.97Å; F56-W61 AromaticContact CG-CE3 3.76Å; F56-W61 HydrophobicContact CG-CE3 3.76Å; F56-W61 AromaticContact CG-CZ3 3.63Å; F56-W61 HydrophobicContact CG-CZ3 3.63Å; F56-W61 HydrophobicContact CZ-CE3 4.41Å; F56-W61 AromaticContact CZ-CZ3 3.96Å; F56-W61 HydrophobicContact CZ-CZ3 3.96Å; R59-W61 VanDerWaalsContact C-N 3.33Å; R59-W61 CarbonylContact C-O 3.56Å; R59-W61 VanDerWaalsContact CB-O 3.32Å; R59-W61 WeakPolarHBondContact CB-O 3.28Å; R59-W61 CarbonylContact O-C 3.56Å; R59-W61 PolarHBondContact O-N 2.88Å; W61-C63 HydrophobicContact CE3-CB 4.32Å; W61-C63 HydrophobicContact CH2-CB 3.52Å; W61-C63 WeakPolarHBondContact CH2-SG 3.44Å; W61-C63 HydrophobicContact CZ2-CB 3.95Å; W61-C63 HydrophobicContact CZ3-CB 3.72Å; W61-V75 HydrophobicContact CZ2-CG1 4.17Å; W61-E82 HydrophobicContact CB-CG 4.44Å; W61-E82 HydrophobicContact CD2-CB 4.07Å; W61-E82 HydrophobicContact CD2-CG 3.67Å; W61-E82 HydrophobicContact CE3-CB 3.98Å; W61-E82 HydrophobicContact CE3-CG 3.52Å; W61-E82 HydrophobicContact CG-CG 4.09Å; W61-E82 HydrophobicContact CH2-CB 4.06Å; W61-E82 HydrophobicContact CZ2-CB 4.16Å; W61-E82 HydrophobicContact CZ3-CB 3.98Å; W61-E82 HydrophobicContact CZ3-CG 3.98Å; W61-V86 HydrophobicContact CH2-CG2 3.7Å; W61-V86 HydrophobicContact CZ2-CG2 4.15Å; W61-F253 HydrophobicContact CB-CB 4.5Å; W61-F253 HydrophobicContact CB-CD1 3.86Å; W61-F253 HydrophobicContact CB-CD2 3.82Å; W61-F253 HydrophobicContact CB-CE1 3.94Å; W61-F253 HydrophobicContact CB-CE2 3.87Å; W61-F253 HydrophobicContact CB-CG 3.8Å; W61-F253 HydrophobicContact CB-CZ 3.94Å; W61-F253 AromaticContact CD1-CD1 3.92Å; W61-F253 AromaticContact CD1-CE1 3.57Å; W61-F253 HydrophobicContact CG-CD1 4.25Å; W61-F253 AromaticContact CG-CE1 3.98Å; W61-F253 HydrophobicContact CG-CE1 3.98Å; W61-F253 HydrophobicContact CG-CE2 4.49Å; W61-F253 HydrophobicContact CG-CZ 4.1Å
62N89.1Confident75.8Confident46 Ų4654.1 Ų54.125%0.24627%0.267CS..  trans-107.514.6-173.966.3-6.8000114.1F56 S64F56-N62 WeakPolarHBondContact O-CA 3.33Å; N62-S64 PolarHBondContact O-N 2.91Å; N62-S64 VanDerWaalsContact O-N 3.13Å; N62-S64 WeakPolarHBondContact OD1-CB 3.47Å; N62-S64 PolarHBondContact OD1-N 3.4Å; N62-S64 VanDerWaalsContact OD1-N 3.09Å; N62-S64 PolarHBondContact OD1-OG 3.1Å
63C87.5Confident73.4Confident12 Ų1254.3 Ų54.38%0.08127%0.27CS..  trans56.324.9-175.5-157.40000114.5C52 Q53 F56 W61 T65C52-C63 HydrophobicContact CB-CB 3.9Å; C52-C63 WeakPolarHBondContact CB-SG 3.25Å; C52-C63 WeakPolarHBondContact SG-CB 3.32Å; C52-C63 CovalentContact SG-SG 2.02Å; C52-C63 PolarHBondContact SG-SG 2.02Å; Q53-C63 HydrophobicContact CG-CB 4.34Å; Q53-C63 VanDerWaalsContact CG-O 3.28Å; Q53-C63 WeakPolarHBondContact CG-O 3.07Å; F56-C63 HydrophobicContact CB-CB 4.26Å; W61-C63 HydrophobicContact CE3-CB 4.32Å; W61-C63 HydrophobicContact CH2-CB 3.52Å; W61-C63 WeakPolarHBondContact CH2-SG 3.44Å; W61-C63 HydrophobicContact CZ2-CB 3.95Å; W61-C63 HydrophobicContact CZ3-CB 3.72Å; C63-T65 PolarHBondContact O-N 3.19Å
64S80Confident70.9Confident30 Ų3057.4 Ų57.421%0.2128%0.282CS..  trans-62.4120.3173.656.30000110.1N62 L264N62-S64 PolarHBondContact O-N 2.91Å; N62-S64 VanDerWaalsContact O-N 3.13Å; N62-S64 WeakPolarHBondContact OD1-CB 3.47Å; N62-S64 PolarHBondContact OD1-N 3.4Å; N62-S64 VanDerWaalsContact OD1-N 3.09Å; N62-S64 PolarHBondContact OD1-OG 3.1Å; S64-L264 WeakPolarHBondContact OG-CD1 3.49Å
65T67.3Low68.5Low42 Ų4255.7 Ų55.726%0.25828%0.277SS..  trans-85.9111.6171.154.80000107.6I49 C63 V71I49-T65 HydrophobicContact CG1-CG2 4.31Å; I49-T65 HydrophobicContact CG2-CG2 3.99Å; C63-T65 PolarHBondContact O-N 3.19Å; T65-V71 HydrophobicContact CG2-CG2 4.04Å
66L55.4Low66.5Low73 Ų7354.8 Ų54.838%0.38227%0.273SS..  trans-58.6140.6160.3-67.4174.5000107.4T68 M69 L264L66-T68 PolarHBondContact O-N 3.23Å; L66-M69 HydrophobicContact CB-CB 4.07Å; L66-M69 HydrophobicContact CB-CE 3.88Å; L66-M69 HydrophobicContact CB-CG 4.04Å; L66-M69 HydrophobicContact CD1-CE 3.68Å; L66-M69 HydrophobicContact CD1-CG 4.28Å; L66-M69 HydrophobicContact CG-CE 3.6Å; L66-M69 PolarHBondContact O-N 3.23Å; L66-L264 HydrophobicContact CD1-CD2 4.06Å; L66-L264 HydrophobicContact CD2-CD2 4.07Å; L66-L264 HydrophobicContact CG-CD2 4.2Å
67E45.7Very low64.9Low181 Ų18158.5 Ų58.585%0.84630%0.296SS*.THydrogen-bonded Turntrans-53.8-22179.1-66.2-176.6159.400113.2
68T43.7Very low64.2Low126 Ų12655.8 Ų55.877%0.77329%0.289SS*.THydrogen-bonded Turntrans-93.6-14.8177.756.30000114.1L66L66-T68 PolarHBondContact O-N 3.23Å
69M47.1Very low64Low16 Ų1652.1 Ų52.18%0.07927%0.27CS..SBendtrans-87.5131.3-177.1-89.4-154.6-76.900112.2L66 V71 V75 P261 G262L66-M69 HydrophobicContact CB-CB 4.07Å; L66-M69 HydrophobicContact CB-CE 3.88Å; L66-M69 HydrophobicContact CB-CG 4.04Å; L66-M69 HydrophobicContact CD1-CE 3.68Å; L66-M69 HydrophobicContact CD1-CG 4.28Å; L66-M69 HydrophobicContact CG-CE 3.6Å; L66-M69 PolarHBondContact O-N 3.23Å; M69-V71 PolarHBondContact O-N 3.28Å; M69-V75 HydrophobicContact CE-CG2 4.44Å; M69-V75 HydrophobicContact SD-CG2 3.82Å; M69-P261 HydrophobicContact CG-CB 3.84Å; M69-P261 HydrophobicContact SD-CB 3.23Å; M69-P261 WeakPolarHBondContact SD-CB 3.33Å; M69-G262 VanDerWaalsContact CE-CA 3.45Å; M69-G262 PolarHBondContact SD-N 3.22Å
70P49Very low64Low46 Ų4649 Ų4930%0.29926%0.259SS..  trans-71.7128.6170.1-6.218.9000113Y1 F72 G73Y1-P70 HydrophobicContact CD2-CB 3.7Å; Y1-P70 HydrophobicContact CD2-CG 4.29Å; Y1-P70 HydrophobicContact CG-CB 3.66Å; P70-F72 PolarHBondContact O-N 3.37Å; P70-G73 WeakPolarHBondContact CD-O 3.42Å; P70-G73 PolarHBondContact O-N 2.6Å
71V48.1Very low64.1Low15 Ų1548.6 Ų48.69%0.09126%0.257CS..THydrogen-bonded Turntrans-47.9-24.3162.9-179.70000110.9L2 A3 I49 T65 M69 V76 V86L2-V71 HydrophobicContact CB-CB 4.27Å; L2-V71 HydrophobicContact CB-CG1 4.42Å; L2-V71 HydrophobicContact CB-CG2 4.17Å; A3-V71 HydrophobicContact CB-CG2 4.07Å; I49-V71 HydrophobicContact CD1-CG2 3.71Å; I49-V71 HydrophobicContact CG1-CG1 4.45Å; I49-V71 HydrophobicContact CG1-CG2 3.76Å; T65-V71 HydrophobicContact CG2-CG2 4.04Å; M69-V71 PolarHBondContact O-N 3.28Å; V71-V76 WeakPolarHBondContact O-CG2 3.01Å; V71-V86 WeakPolarHBondContact O-CG1 2.99Å
72F48.5Very low64.1Low23 Ų2348.6 Ų48.610%0.10126%0.258CS..THydrogen-bonded Turntrans-116.931.3173.2-56.9-60.8000114Y1 L2 P70 S90 R147Y1-F72 AromaticContact CD1-CD2 3.98Å; Y1-F72 HydrophobicContact CD1-CD2 3.98Å; L2-F72 HydrophobicContact CD1-CE2 3.45Å; L2-F72 VanDerWaalsContact CD1-CE2 3.45Å; L2-F72 HydrophobicContact CD1-CZ 3.52Å; L2-F72 HydrophobicContact CD2-CE2 4.23Å; L2-F72 HydrophobicContact CG-CD2 4.35Å; L2-F72 HydrophobicContact CG-CE2 3.53Å; L2-F72 HydrophobicContact CG-CZ 4.15Å; P70-F72 PolarHBondContact O-N 3.37Å; F72-S90 VanDerWaalsContact CE1-CB 3.47Å; F72-R147 VanDerWaalsContact CB-NH1 3.32Å; F72-R147 PolarHBondContact O-NH1 3.44Å
73G43.5Very low64.2Low8 Ų846.4 Ų46.48%0.08225%0.246CC..SBendtrans-158.5124-169.600000114.7P70 V75P70-G73 WeakPolarHBondContact CD-O 3.42Å; P70-G73 PolarHBondContact O-N 2.6Å; G73-V75 PolarHBondContact O-N 3.12Å
74K40.1Very low64.6Low132 Ų13245.9 Ų45.957%0.57424%0.242SC*.SBendtrans74.3-38.5176.4-64.2-165175-173.20118.9T77 P261K74-T77 WeakPolarHBondContact CA-OG1 3.48Å; K74-T77 HydrophobicContact CG-CG2 4.4Å; K74-T77 PolarHBondContact O-OG1 2.95Å; K74-P261 HydrophobicContact CB-CB 3.77Å; K74-P261 HydrophobicContact CB-CG 3.58Å; K74-P261 HydrophobicContact CD-CG 3.67Å; K74-P261 HydrophobicContact CG-CG 4.28Å
75V45.4Very low65.3Low26 Ų2644.4 Ų44.416%0.15823%0.232CC..SBendtrans-68.4-33.4158.4177.90000109.5W61 M69 G73 T77 P261W61-V75 HydrophobicContact CZ2-CG1 4.17Å; M69-V75 HydrophobicContact CE-CG2 4.44Å; M69-V75 HydrophobicContact SD-CG2 3.82Å; G73-V75 PolarHBondContact O-N 3.12Å; V75-T77 VanDerWaalsContact C-N 3.33Å; V75-T77 PolarHBondContact O-N 2.76Å; V75-P261 WeakPolarHBondContact CG2-O 3.37Å
76V55.2Low66.6Low5 Ų542.8 Ų42.83%0.0322%0.222CC..THydrogen-bonded Turntrans-87.10.9-175.8-167.70000112.9V71 V86 Y87V71-V76 WeakPolarHBondContact O-CG2 3.01Å; V76-V86 HydrophobicContact CG2-CG1 4.07Å; V76-Y87 HydrophobicContact CB-CE2 4.41Å; V76-Y87 HydrophobicContact CG1-CD2 3.72Å; V76-Y87 HydrophobicContact CG1-CE1 4.23Å; V76-Y87 HydrophobicContact CG1-CE2 2.94Å; V76-Y87 WeakPolarHBondContact CG1-OH 3.38Å
77T59.6Low68.4Low82 Ų8239.7 Ų39.750%0.50321%0.206SC..THydrogen-bonded Turntrans-78.5-27.8175.347.60000112.3K74 V75 R157K74-T77 WeakPolarHBondContact CA-OG1 3.48Å; K74-T77 HydrophobicContact CG-CG2 4.4Å; K74-T77 PolarHBondContact O-OG1 2.95Å; V75-T77 VanDerWaalsContact C-N 3.33Å; V75-T77 PolarHBondContact O-N 2.76Å; T77-R157 WeakPolarHBondContact O-CD 3.36Å
78Q76.5Confident70.9Confident66 Ų6631.1 Ų31.131%0.30817%0.165SC..SBendtrans-84.5152.3175.8-61.6179.68.400110.3T80 A83Q78-T80 HydrophobicContact CB-CG2 3.81Å; Q78-T80 PolarHBondContact O-N 3.47Å; Q78-T80 VanDerWaalsContact O-N 3.12Å; Q78-A83 WeakPolarHBondContact O-CB 3.4Å
79G88.1Confident73.4Confident3 Ų325.1 Ų25.13%0.03113%0.129CC..  trans-83.740.1178.700000113.2Y246 L247 E248G79-Y246 WeakPolarHBondContact O-CB 2.89Å; G79-L247 PolarHBondContact O-N 3.4Å; G79-E248 PolarHBondContact N-OE2 2.96Å; G79-E248 PolarHBondContact O-N 2.93Å
80T91.6Very high75.7Confident4 Ų424.4 Ų24.43%0.02513%0.125CC..  trans-83.9167.3-171.964.40000113.1Q78 E82 A83 A84Q78-T80 HydrophobicContact CB-CG2 3.81Å; Q78-T80 PolarHBondContact O-N 3.47Å; Q78-T80 VanDerWaalsContact O-N 3.12Å; T80-E82 VanDerWaalsContact C-N 3.29Å; T80-E82 PolarHBondContact O-N 3.16Å; T80-A83 WeakPolarHBondContact O-CB 3.33Å; T80-A83 PolarHBondContact O-N 3.23Å; T80-A83 PolarHBondContact OG1-N 2.83Å; T80-A84 PolarHBondContact O-N 3.24Å
81R94.1Very high78Confident67 Ų6722.2 Ų22.225%0.25311%0.111SC..Hα-helixtrans-60.7-38174.9-159.7-175.1-74.7-164.51.5112.5A83 A84 F85 F212 A215 Y246R81-A83 VanDerWaalsContact C-N 3.35Å; R81-A84 WeakPolarHBondContact O-CB 3.12Å; R81-A84 PolarHBondContact O-N 2.04Å; R81-F85 PolarHBondContact O-N 2.89Å; R81-F212 VanDerWaalsContact C-CE2 3.49Å; R81-F212 HydrophobicContact CB-CD2 4.39Å; R81-F212 HydrophobicContact CB-CE2 3.86Å; R81-F212 HydrophobicContact CB-CZ 4.45Å; R81-F212 VanDerWaalsContact CD-O 3.3Å; R81-F212 WeakPolarHBondContact CD-O 3.35Å; R81-F212 HydrophobicContact CG-CD2 3.6Å; R81-F212 HydrophobicContact CG-CE2 3.46Å; R81-F212 VanDerWaalsContact CG-CE2 3.46Å; R81-F212 HydrophobicContact CG-CG 4.33Å; R81-F212 HydrophobicContact CG-CZ 4.05Å; R81-F212 WeakPolarHBondContact O-CD2 3.49Å; R81-F212 WeakPolarHBondContact O-CE2 3.39Å; R81-A215 HydrophobicContact CG-CB 3.83Å; R81-Y246 HydrophobicContact CB-CD1 4.23Å; R81-Y246 HydrophobicContact CB-CG 4.27Å; R81-Y246 HydrophobicContact CG-CD1 4.16Å; R81-Y246 PolarHBondContact NH2-OH 2.96Å
82E91.7Very high80.4Confident18 Ų1821.5 Ų21.58%0.08411%0.107CC..Hα-helixtrans-65.3-40.5177-66.769.4-150.400110.8W61 T80 A84 F85 V86 F212 S250 F253W61-E82 HydrophobicContact CB-CG 4.44Å; W61-E82 HydrophobicContact CD2-CB 4.07Å; W61-E82 HydrophobicContact CD2-CG 3.67Å; W61-E82 HydrophobicContact CE3-CB 3.98Å; W61-E82 HydrophobicContact CE3-CG 3.52Å; W61-E82 HydrophobicContact CG-CG 4.09Å; W61-E82 HydrophobicContact CH2-CB 4.06Å; W61-E82 HydrophobicContact CZ2-CB 4.16Å; W61-E82 HydrophobicContact CZ3-CB 3.98Å; W61-E82 HydrophobicContact CZ3-CG 3.98Å; T80-E82 VanDerWaalsContact C-N 3.29Å; T80-E82 PolarHBondContact O-N 3.16Å; E82-A84 VanDerWaalsContact C-N 3.33Å; E82-A84 PolarHBondContact O-N 3.38Å; E82-F85 PolarHBondContact O-N 3.48Å; E82-V86 WeakPolarHBondContact O-CG2 3.48Å; E82-V86 PolarHBondContact O-N 3.2Å; E82-F212 HydrophobicContact CG-CE2 4.27Å; E82-S250 VanDerWaalsContact CD-OG 3.31Å; E82-S250 PolarHBondContact OE1-OG 2.87Å; E82-S250 VanDerWaalsContact OE2-CB 3.3Å; E82-S250 WeakPolarHBondContact OE2-CB 3.49Å; E82-S250 PolarHBondContact OE2-OG 3.32Å; E82-F253 HydrophobicContact CG-CE2 4.35Å; E82-F253 HydrophobicContact CG-CZ 4.13Å
83A90.6Very high82.8Confident0 Ų020.4 Ų20.40%010%0.102CC..Hα-helixtrans-62-41.3174.400000111.5Q78 T80 R81 F85 V86 Y87Q78-A83 WeakPolarHBondContact O-CB 3.4Å; T80-A83 WeakPolarHBondContact O-CB 3.33Å; T80-A83 PolarHBondContact O-N 3.23Å; T80-A83 PolarHBondContact OG1-N 2.83Å; R81-A83 VanDerWaalsContact C-N 3.35Å; A83-F85 PolarHBondContact O-N 3.13Å; A83-V86 PolarHBondContact O-N 3.36Å; A83-Y87 VanDerWaalsContact O-CD2 3.28Å; A83-Y87 WeakPolarHBondContact O-CD2 3.37Å; A83-Y87 PolarHBondContact O-N 2.72Å
84A95.2Very high85.3Confident0 Ų020.1 Ų20.10%010%0.098CC..Hα-helixtrans-57-46.2175.900000112.4T80 R81 E82 Y87 A88 N164 L244 V245T80-A84 PolarHBondContact O-N 3.24Å; R81-A84 WeakPolarHBondContact O-CB 3.12Å; R81-A84 PolarHBondContact O-N 2.04Å; E82-A84 VanDerWaalsContact C-N 3.33Å; E82-A84 PolarHBondContact O-N 3.38Å; A84-Y87 PolarHBondContact O-N 3.44Å; A84-A88 WeakPolarHBondContact O-CB 3.45Å; A84-A88 PolarHBondContact O-N 3.49Å; A84-A88 VanDerWaalsContact O-N 3.09Å; A84-N164 WeakPolarHBondContact CA-ND2 3.3Å; A84-N164 WeakPolarHBondContact CB-ND2 3.42Å; A84-L244 HydrophobicContact CB-CB 4.38Å; A84-V245 WeakPolarHBondContact CB-O 3.44Å
85F95.9Very high88.1Confident0 Ų013.8 Ų13.80%07%0.071CC..Hα-helixtrans-62-44.9175.2-179.7-83.3000112.1C52 Q55 F56 R81 E82 A83 Y87 A88 I89 I208 K209 F212 L244C52-F85 HydrophobicContact CB-CE1 4Å; Q55-F85 HydrophobicContact CB-CZ 4.05Å; Q55-F85 HydrophobicContact CG-CZ 4.02Å; F56-F85 HydrophobicContact CD2-CD1 4.36Å; F56-F85 HydrophobicContact CD2-CE1 4.19Å; F56-F85 HydrophobicContact CD2-CZ 4.5Å; F56-F85 HydrophobicContact CE2-CB 4.46Å; F56-F85 AromaticContact CE2-CD1 3.54Å; F56-F85 HydrophobicContact CE2-CD1 3.54Å; F56-F85 AromaticContact CE2-CD2 3.89Å; F56-F85 HydrophobicContact CE2-CD2 3.89Å; F56-F85 AromaticContact CE2-CE1 3.65Å; F56-F85 HydrophobicContact CE2-CE1 3.65Å; F56-F85 AromaticContact CE2-CE2 3.98Å; F56-F85 HydrophobicContact CE2-CE2 3.98Å; F56-F85 AromaticContact CE2-CG 3.68Å; F56-F85 HydrophobicContact CE2-CG 3.68Å; F56-F85 AromaticContact CE2-CZ 3.87Å; F56-F85 HydrophobicContact CE2-CZ 3.87Å; F56-F85 HydrophobicContact CZ-CB 4.4Å; F56-F85 HydrophobicContact CZ-CD1 4.28Å; F56-F85 HydrophobicContact CZ-CD2 4.26Å; F56-F85 HydrophobicContact CZ-CG 4.05Å; R81-F85 PolarHBondContact O-N 2.89Å; E82-F85 PolarHBondContact O-N 3.48Å; A83-F85 PolarHBondContact O-N 3.13Å; F85-Y87 VanDerWaalsContact C-N 3.34Å; F85-Y87 PolarHBondContact O-N 3.13Å; F85-A88 PolarHBondContact O-N 2.95Å; F85-I89 HydrophobicContact CD1-CB 4.43Å; F85-I89 HydrophobicContact CD1-CG2 4.11Å; F85-I89 HydrophobicContact CE1-CB 3.98Å; F85-I89 HydrophobicContact CE1-CG1 4.35Å; F85-I89 HydrophobicContact CE1-CG2 3.85Å; F85-I89 HydrophobicContact CZ-CB 4.32Å; F85-I89 HydrophobicContact CZ-CG1 4.45Å; F85-I89 WeakPolarHBondContact O-CG2 3.41Å; F85-I89 PolarHBondContact O-N 2.81Å; F85-I208 HydrophobicContact CD2-CB 4.46Å; F85-I208 HydrophobicContact CD2-CG2 3.59Å; F85-I208 HydrophobicContact CE2-CB 4.09Å; F85-I208 HydrophobicContact CE2-CG2 3.67Å; F85-I208 HydrophobicContact CG-CG2 4.36Å; F85-I208 HydrophobicContact CZ-CG2 4.48Å; F85-K209 HydrophobicContact CE2-CB 4Å; F85-K209 HydrophobicContact CE2-CD 4.33Å; F85-F212 HydrophobicContact CB-CB 4.4Å; F85-F212 HydrophobicContact CB-CD2 3.74Å; F85-F212 HydrophobicContact CB-CE2 4.5Å; F85-F212 HydrophobicContact CB-CG 4.41Å; F85-F212 HydrophobicContact CD2-CB 3.9Å; F85-F212 HydrophobicContact CD2-CG 4.39Å; F85-F212 HydrophobicContact CG-CD2 4.46Å; F85-L244 HydrophobicContact CB-CD1 4.47Å
86V93.5Very high90.6Very high8 Ų813.6 Ų13.65%0.0487%0.068CC..Hα-helixtrans-61.3-42.2-179.31710000111.6W61 V71 V76 E82 A83 I89 S90W61-V86 HydrophobicContact CH2-CG2 3.7Å; W61-V86 HydrophobicContact CZ2-CG2 4.15Å; V71-V86 WeakPolarHBondContact O-CG1 2.99Å; V76-V86 HydrophobicContact CG2-CG1 4.07Å; E82-V86 WeakPolarHBondContact O-CG2 3.48Å; E82-V86 PolarHBondContact O-N 3.2Å; A83-V86 PolarHBondContact O-N 3.36Å; V86-I89 WeakPolarHBondContact O-CG2 2.92Å; V86-S90 WeakPolarHBondContact O-CB 3.18Å; V86-S90 PolarHBondContact O-N 3.39Å; V86-S90 PolarHBondContact O-OG 3.15Å
87Y93.6Very high92.7Very high8 Ų813.8 Ų13.83%0.0317%0.07CC..Hα-helixtrans-62.2-48.9174.8-87.3-70.5000111.6V76 A83 A84 F85 S90 A91 E148 R157 N161 N165V76-Y87 HydrophobicContact CB-CE2 4.41Å; V76-Y87 HydrophobicContact CG1-CD2 3.72Å; V76-Y87 HydrophobicContact CG1-CE1 4.23Å; V76-Y87 HydrophobicContact CG1-CE2 2.94Å; V76-Y87 WeakPolarHBondContact CG1-OH 3.38Å; A83-Y87 VanDerWaalsContact O-CD2 3.28Å; A83-Y87 WeakPolarHBondContact O-CD2 3.37Å; A83-Y87 PolarHBondContact O-N 2.72Å; A84-Y87 PolarHBondContact O-N 3.44Å; F85-Y87 VanDerWaalsContact C-N 3.34Å; F85-Y87 PolarHBondContact O-N 3.13Å; Y87-S90 PolarHBondContact O-N 3.07Å; Y87-A91 WeakPolarHBondContact O-CB 3.28Å; Y87-A91 PolarHBondContact O-N 3.14Å; Y87-E148 PolarHBondContact OH-OE1 3.41Å; Y87-E148 VanDerWaalsContact OH-OE1 3.13Å; Y87-R157 PolarHBondContact OH-NH1 2.8Å; Y87-N161 HydrophobicContact CD1-CB 4.09Å; Y87-N161 HydrophobicContact CD2-CB 4.27Å; Y87-N161 WeakPolarHBondContact CD2-OD1 3.1Å; Y87-N161 HydrophobicContact CE1-CB 3.83Å; Y87-N161 HydrophobicContact CE2-CB 4.02Å; Y87-N161 WeakPolarHBondContact CE2-OD1 3.38Å; Y87-N161 HydrophobicContact CG-CB 4.3Å; Y87-N161 VanDerWaalsContact CZ-ND2 3.29Å; Y87-N161 PolarHBondContact OH-ND2 3.45Å; Y87-N165 WeakPolarHBondContact CB-OD1 3.47Å; Y87-N165 VanDerWaalsContact CD1-OD1 3.27Å; Y87-N165 WeakPolarHBondContact CD1-OD1 3.49Å; Y87-N165 PolarHBondContact O-OD1 3.2Å
88A97.6Very high94.5Very high0 Ų09.9 Ų9.90%05%0.046CC..Hα-helixtrans-59.8-52.617900000112.7A84 F85 S90 A91 A92 N164 G168 I208 L244A84-A88 WeakPolarHBondContact O-CB 3.45Å; A84-A88 PolarHBondContact O-N 3.49Å; A84-A88 VanDerWaalsContact O-N 3.09Å; F85-A88 PolarHBondContact O-N 2.95Å; A88-S90 VanDerWaalsContact C-N 3.29Å; A88-S90 PolarHBondContact O-N 2.94Å; A88-A91 PolarHBondContact O-N 3.09Å; A88-A92 VanDerWaalsContact O-CB 3.27Å; A88-A92 WeakPolarHBondContact O-CB 3.33Å; A88-A92 PolarHBondContact O-N 3.28Å; A88-N164 VanDerWaalsContact CA-O 3.24Å; A88-N164 WeakPolarHBondContact CA-O 3.5Å; A88-N164 VanDerWaalsContact CB-O 3.28Å; A88-N164 WeakPolarHBondContact CB-O 3.45Å; A88-G168 WeakPolarHBondContact O-CA 3.37Å; A88-I208 HydrophobicContact CB-CD1 4.43Å; A88-I208 HydrophobicContact CB-CG2 3.72Å; A88-L244 HydrophobicContact CB-CD1 4.45Å; A88-L244 HydrophobicContact CB-CD2 3.61Å
89I97.5Very high95.6Very high1 Ų16.8 Ų6.81%0.0053%0.031CC..Hα-helixtrans-65.6-33.2-178-16364.2000111.9A48 E51 F85 V86 S93 F201 I208A48-I89 HydrophobicContact CB-CG2 4.46Å; E51-I89 HydrophobicContact CB-CG1 4.5Å; E51-I89 HydrophobicContact CG-CD1 4.11Å; F85-I89 HydrophobicContact CD1-CB 4.43Å; F85-I89 HydrophobicContact CD1-CG2 4.11Å; F85-I89 HydrophobicContact CE1-CB 3.98Å; F85-I89 HydrophobicContact CE1-CG1 4.35Å; F85-I89 HydrophobicContact CE1-CG2 3.85Å; F85-I89 HydrophobicContact CZ-CB 4.32Å; F85-I89 HydrophobicContact CZ-CG1 4.45Å; F85-I89 WeakPolarHBondContact O-CG2 3.41Å; F85-I89 PolarHBondContact O-N 2.81Å; V86-I89 WeakPolarHBondContact O-CG2 2.92Å; I89-S93 WeakPolarHBondContact O-CB 3.41Å; I89-S93 PolarHBondContact O-N 3.2Å; I89-S93 PolarHBondContact O-OG 2.87Å; I89-F201 HydrophobicContact CD1-CE1 3.74Å; I89-F201 HydrophobicContact CD1-CZ 3.56Å; I89-F201 HydrophobicContact CG1-CE1 4.23Å; I89-F201 HydrophobicContact CG1-CZ 4.12Å; I89-I208 HydrophobicContact CD1-CD1 3.87Å
90S94.8Very high96Very high1 Ų111.1 Ų11.11%0.0075%0.047CC..Hα-helixtrans-72-41.8178-59.90000112.6F72 V86 Y87 A88 A92 S93 V94F72-S90 VanDerWaalsContact CE1-CB 3.47Å; V86-S90 WeakPolarHBondContact O-CB 3.18Å; V86-S90 PolarHBondContact O-N 3.39Å; V86-S90 PolarHBondContact O-OG 3.15Å; Y87-S90 PolarHBondContact O-N 3.07Å; A88-S90 VanDerWaalsContact C-N 3.29Å; A88-S90 PolarHBondContact O-N 2.94Å; S90-A92 VanDerWaalsContact C-N 3.35Å; S90-S93 PolarHBondContact O-N 3.48Å; S90-S93 PolarHBondContact O-OG 2.98Å; S90-S93 VanDerWaalsContact O-OG 3.07Å; S90-V94 WeakPolarHBondContact O-CG2 3.23Å; S90-V94 PolarHBondContact O-N 2.96Å
91A97.2Very high96.3Very high0 Ų011 Ų110%05%0.046CC..Hα-helixtrans-66.5-40.3175.600000111.4Y87 A88 A95 S140 V144 N165 R169Y87-A91 WeakPolarHBondContact O-CB 3.28Å; Y87-A91 PolarHBondContact O-N 3.14Å; A88-A91 PolarHBondContact O-N 3.09Å; A91-A95 PolarHBondContact O-N 3.47Å; A91-S140 PolarHBondContact O-OG 3.17Å; A91-V144 HydrophobicContact CB-CG1 4.43Å; A91-N165 HydrophobicContact CB-CB 3.72Å; A91-N165 WeakPolarHBondContact CB-O 3.44Å; A91-R169 HydrophobicContact CB-CG 4.26Å
92A98.5Very high96.5Very high0 Ų07.9 Ų7.90%04%0.035CC..Hα-helixtrans-62.1-46.8173.800000111.6A88 S90 V94 A95 F96 G168 I172 F201 V204 I208A88-A92 VanDerWaalsContact O-CB 3.27Å; A88-A92 WeakPolarHBondContact O-CB 3.33Å; A88-A92 PolarHBondContact O-N 3.28Å; S90-A92 VanDerWaalsContact C-N 3.35Å; A92-V94 PolarHBondContact O-N 3.23Å; A92-A95 PolarHBondContact O-N 3.34Å; A92-F96 VanDerWaalsContact O-CB 3.31Å; A92-F96 WeakPolarHBondContact O-CB 3.38Å; A92-F96 PolarHBondContact O-N 3.37Å; A92-G168 VanDerWaalsContact CB-O 3.24Å; A92-G168 WeakPolarHBondContact CB-O 3.5Å; A92-I172 HydrophobicContact CB-CD1 4.01Å; A92-I172 HydrophobicContact CB-CG1 4.45Å; A92-I172 WeakPolarHBondContact O-CD1 3.5Å; A92-F201 HydrophobicContact CB-CE2 4.46Å; A92-V204 HydrophobicContact CB-CG1 4.22Å; A92-I208 HydrophobicContact CB-CD1 3.98Å
93S97.9Very high96.8Very high0 Ų08 Ų80%04%0.038CC..Hα-helixtrans-67.3-36.9-175.474.90000113.1G44 A48 I89 S90 F96 A97G44-S93 WeakPolarHBondContact CA-O 3.49Å; G44-S93 WeakPolarHBondContact O-CB 3.37Å; G44-S93 PolarHBondContact O-OG 3.42Å; A48-S93 VanDerWaalsContact CB-OG 3.23Å; A48-S93 WeakPolarHBondContact CB-OG 3.29Å; I89-S93 WeakPolarHBondContact O-CB 3.41Å; I89-S93 PolarHBondContact O-N 3.2Å; I89-S93 PolarHBondContact O-OG 2.87Å; S90-S93 PolarHBondContact O-N 3.48Å; S90-S93 PolarHBondContact O-OG 2.98Å; S90-S93 VanDerWaalsContact O-OG 3.07Å; S93-F96 PolarHBondContact O-N 2.72Å; S93-A97 VanDerWaalsContact O-CB 3.29Å; S93-A97 WeakPolarHBondContact O-CB 3.24Å; S93-A97 PolarHBondContact O-N 2.84Å
94V97.1Very high97Very high1 Ų111.1 Ų11.11%0.0066%0.059CC..Hα-helixtrans-64.4-46.9173.2172.10000110.2V41 S90 A92 F96 A97 V98 F139 V144V41-V94 HydrophobicContact CG1-CG2 4.45Å; S90-V94 WeakPolarHBondContact O-CG2 3.23Å; S90-V94 PolarHBondContact O-N 2.96Å; A92-V94 PolarHBondContact O-N 3.23Å; V94-F96 VanDerWaalsContact C-N 3.35Å; V94-F96 PolarHBondContact O-N 3.13Å; V94-A97 PolarHBondContact O-N 2.9Å; V94-V98 HydrophobicContact CG1-CG2 4.29Å; V94-V98 WeakPolarHBondContact O-CB 3.39Å; V94-V98 WeakPolarHBondContact O-CG2 3.42Å; V94-V98 PolarHBondContact O-N 2.87Å; V94-F139 HydrophobicContact CG1-CD1 4.05Å; V94-F139 HydrophobicContact CG1-CE1 4.22Å; V94-V144 HydrophobicContact CB-CG2 4.26Å; V94-V144 HydrophobicContact CG1-CG2 4.35Å; V94-V144 HydrophobicContact CG2-CG2 4.11Å
95A98.6Very high97Very high0 Ų014 Ų140%09%0.09CC..Hα-helixtrans-60-46.417700000111.5A91 A92 T99 I133 G136 V137 R169 I172A91-A95 PolarHBondContact O-N 3.47Å; A92-A95 PolarHBondContact O-N 3.34Å; A95-T99 WeakPolarHBondContact O-CB 3.42Å; A95-T99 PolarHBondContact O-N 2.87Å; A95-T99 PolarHBondContact O-OG1 2.99Å; A95-I133 HydrophobicContact CB-CD1 4.41Å; A95-G136 WeakPolarHBondContact CA-O 3.42Å; A95-V137 HydrophobicContact CB-CG2 4.15Å; A95-R169 HydrophobicContact CB-CG 4.4Å; A95-I172 HydrophobicContact CB-CD1 4.47Å
96F98.7Very high97Very high22 Ų2219.4 Ų19.410%0.09612%0.115CC..Hα-helixtrans-59.9-49.8178.7-175.6-91.9000112.6L47 A92 S93 V94 T99 R100 I172 M198 P199 F201L47-F96 HydrophobicContact CD2-CD1 3.64Å; L47-F96 HydrophobicContact CD2-CE1 4.02Å; A92-F96 VanDerWaalsContact O-CB 3.31Å; A92-F96 WeakPolarHBondContact O-CB 3.38Å; A92-F96 PolarHBondContact O-N 3.37Å; S93-F96 PolarHBondContact O-N 2.72Å; V94-F96 VanDerWaalsContact C-N 3.35Å; V94-F96 PolarHBondContact O-N 3.13Å; F96-T99 PolarHBondContact O-N 3.41Å; F96-R100 WeakPolarHBondContact O-CB 3.45Å; F96-R100 PolarHBondContact O-N 2.84Å; F96-I172 HydrophobicContact CB-CD1 3.86Å; F96-I172 HydrophobicContact CD2-CD1 4.44Å; F96-M198 HydrophobicContact CD2-CB 4.12Å; F96-M198 HydrophobicContact CD2-CE 3.91Å; F96-M198 HydrophobicContact CD2-CG 4.48Å; F96-M198 HydrophobicContact CD2-SD 3.61Å; F96-M198 HydrophobicContact CE2-CB 3.81Å; F96-M198 HydrophobicContact CE2-CE 3.99Å; F96-M198 HydrophobicContact CE2-SD 4.11Å; F96-M198 HydrophobicContact CG-CE 4.36Å; F96-M198 HydrophobicContact CG-SD 4.25Å; F96-M198 WeakPolarHBondContact O-CE 3.2Å; F96-P199 WeakPolarHBondContact CE2-O 3.35Å; F96-F201 HydrophobicContact CB-CD2 3.97Å; F96-F201 HydrophobicContact CB-CE2 4.02Å; F96-F201 HydrophobicContact CD1-CB 4.46Å; F96-F201 AromaticContact CD1-CD2 3.9Å; F96-F201 HydrophobicContact CD1-CD2 3.9Å; F96-F201 HydrophobicContact CD1-CG 4.45Å; F96-F201 AromaticContact CD2-CD2 3.88Å; F96-F201 HydrophobicContact CD2-CD2 3.88Å; F96-F201 HydrophobicContact CE1-CB 4.1Å; F96-F201 HydrophobicContact CE1-CD2 4.36Å; F96-F201 HydrophobicContact CE2-CB 4.37Å; F96-F201 HydrophobicContact CE2-CD2 4.34Å; F96-F201 AromaticContact CG-CD2 3.63Å; F96-F201 HydrophobicContact CG-CD2 3.63Å; F96-F201 HydrophobicContact CG-CE2 4.2Å; F96-F201 HydrophobicContact CZ-CB 4.05Å
97A98.3Very high97.1Very high9 Ų919.7 Ų19.77%0.07412%0.116CC..Hα-helixtrans-69.2-39.3-175.500000112.3A40 G44 S93 V94 R100 A101A40-A97 VanDerWaalsContact O-CB 3.25Å; A40-A97 WeakPolarHBondContact O-CB 3.35Å; G44-A97 VanDerWaalsContact CA-CB 3.44Å; S93-A97 VanDerWaalsContact O-CB 3.29Å; S93-A97 WeakPolarHBondContact O-CB 3.24Å; S93-A97 PolarHBondContact O-N 2.84Å; V94-A97 PolarHBondContact O-N 2.9Å; A97-R100 PolarHBondContact O-N 2.83Å; A97-A101 WeakPolarHBondContact O-CB 3.3Å; A97-A101 PolarHBondContact O-N 3.2Å
98V98.1Very high96.9Very high0 Ų028.3 Ų28.30%016%0.156CC..Hα-helixtrans-64.4-48.4175.61730000110.3V37 A40 V41 V94 R100 A101 C102 Y135 F139V37-V98 HydrophobicContact CG1-CB 4.48Å; V37-V98 HydrophobicContact CG1-CG1 3.99Å; V37-V98 HydrophobicContact CG1-CG2 3.78Å; A40-V98 HydrophobicContact CB-CG2 4.47Å; V41-V98 HydrophobicContact CG2-CG2 4.34Å; V94-V98 HydrophobicContact CG1-CG2 4.29Å; V94-V98 WeakPolarHBondContact O-CB 3.39Å; V94-V98 WeakPolarHBondContact O-CG2 3.42Å; V94-V98 PolarHBondContact O-N 2.87Å; V98-R100 VanDerWaalsContact C-N 3.31Å; V98-R100 PolarHBondContact O-N 2.89Å; V98-A101 PolarHBondContact O-N 3.21Å; V98-C102 PolarHBondContact O-N 3.39Å; V98-C102 PolarHBondContact O-SG 2.92Å; V98-Y135 HydrophobicContact CG1-CD1 3.94Å; V98-Y135 HydrophobicContact CG1-CE1 3.76Å; V98-F139 HydrophobicContact CG1-CB 4.17Å; V98-F139 HydrophobicContact CG1-CD1 4.47Å; V98-F139 HydrophobicContact CG1-CG 4.24Å; V98-F139 HydrophobicContact CG2-CD1 3.66Å; V98-F139 HydrophobicContact CG2-CE1 4.06Å; V98-F139 HydrophobicContact CG2-CG 4.26Å
99T98.4Very high96.6Very high0 Ų035.1 Ų35.10%019%0.186CC..Hα-helixtrans-60.1-41.5176.8-680000111.7A95 F96 A101 C102 S103 D131 N132 I133 G136 M198A95-T99 WeakPolarHBondContact O-CB 3.42Å; A95-T99 PolarHBondContact O-N 2.87Å; A95-T99 PolarHBondContact O-OG1 2.99Å; F96-T99 PolarHBondContact O-N 3.41Å; T99-A101 VanDerWaalsContact C-N 3.33Å; T99-A101 PolarHBondContact O-N 3.26Å; T99-C102 WeakPolarHBondContact O-CB 3.24Å; T99-C102 PolarHBondContact O-N 3.4Å; T99-S103 PolarHBondContact O-N 3.44Å; T99-S103 PolarHBondContact O-OG 3.23Å; T99-D131 HydrophobicContact CG2-CB 3.92Å; T99-N132 VanDerWaalsContact CG2-C 3.49Å; T99-N132 WeakPolarHBondContact CG2-O 3.35Å; T99-N132 PolarHBondContact OG1-O 3.42Å; T99-N132 VanDerWaalsContact OG1-O 3.04Å; T99-I133 HydrophobicContact CG2-CB 4.48Å; T99-I133 WeakPolarHBondContact OG1-CA 3.47Å; T99-G136 VanDerWaalsContact OG1-CA 3.32Å; T99-G136 WeakPolarHBondContact OG1-CA 3.39Å; T99-G136 PolarHBondContact OG1-N 3.32Å; T99-M198 HydrophobicContact CG2-CE 3.53Å; T99-M198 HydrophobicContact CG2-CG 4.4Å; T99-M198 HydrophobicContact CG2-SD 3.61Å
100R98.1Very high96.5Very high94 Ų9436 Ų3636%0.35519%0.193SC..Hα-helixtrans-63.3-39.2177.6-174.565.168.8-151.50112F96 A97 V98 S103 S104 D131 M198F96-R100 WeakPolarHBondContact O-CB 3.45Å; F96-R100 PolarHBondContact O-N 2.84Å; A97-R100 PolarHBondContact O-N 2.83Å; V98-R100 VanDerWaalsContact C-N 3.31Å; V98-R100 PolarHBondContact O-N 2.89Å; R100-S103 PolarHBondContact O-N 2.76Å; R100-S104 WeakPolarHBondContact O-CB 3.14Å; R100-S104 PolarHBondContact O-N 2.74Å; R100-S104 PolarHBondContact O-OG 2.93Å; R100-D131 IonicContact CZ-OD2 3.81Å; R100-D131 IonicContact NH1-OD1 2.67Å; R100-D131 PolarHBondContact NH1-OD1 3.34Å; R100-D131 IonicContact NH1-OD2 3.82Å; R100-D131 PolarHBondContact NH1-OD2 2.9Å; R100-D131 IonicContact NH2-OD2 2.82Å; R100-M198 HydrophobicContact CB-CE 4.12Å
101A97.8Very high96.5Very high1 Ų137.1 Ų37.11%0.00820%0.204CC..Hα-helixtrans-65.8-38.8176.100000111.8A40 A97 V98 T99 S104 G105 E106 L107A40-A101 HydrophobicContact CB-CB 3.75Å; A97-A101 WeakPolarHBondContact O-CB 3.3Å; A97-A101 PolarHBondContact O-N 3.2Å; V98-A101 PolarHBondContact O-N 3.21Å; T99-A101 VanDerWaalsContact C-N 3.33Å; T99-A101 PolarHBondContact O-N 3.26Å; A101-S104 WeakPolarHBondContact CA-OG 3.07Å; A101-S104 PolarHBondContact O-OG 3.46Å; A101-S104 VanDerWaalsContact O-OG 3.11Å; A101-G105 PolarHBondContact O-N 2.9Å; A101-E106 HydrophobicContact CB-CB 4.31Å; A101-E106 WeakPolarHBondContact O-CB 3.49Å; A101-E106 PolarHBondContact O-N 3.01Å; A101-L107 HydrophobicContact CB-CD1 3.71Å; A101-L107 HydrophobicContact CB-CG 3.86Å
102C97.6Very high96.4Very high2 Ų238.9 Ų38.91%0.01422%0.216CC..Hα-helixtrans-61.8-51.8172.4-62.40000111.9V98 T99 S104 G105 C110 Y135V98-C102 PolarHBondContact O-N 3.39Å; V98-C102 PolarHBondContact O-SG 2.92Å; T99-C102 WeakPolarHBondContact O-CB 3.24Å; T99-C102 PolarHBondContact O-N 3.4Å; C102-S104 VanDerWaalsContact C-N 3.26Å; C102-S104 PolarHBondContact O-N 3.2Å; C102-G105 PolarHBondContact O-N 3.36Å; C102-C110 WeakPolarHBondContact CA-SG 3.35Å; C102-C110 HydrophobicContact CB-CB 3.77Å; C102-C110 WeakPolarHBondContact CB-SG 3.39Å; C102-C110 WeakPolarHBondContact SG-CB 3.13Å; C102-C110 CovalentContact SG-SG 2.03Å; C102-C110 PolarHBondContact SG-SG 3.01Å; C102-Y135 WeakPolarHBondContact SG-CD1 3.38Å; C102-Y135 VanDerWaalsContact SG-CE1 3.52Å
103S96.9Very high96.2Very high21 Ų2140.4 Ų40.415%0.14722%0.224CC..Hα-helixtrans-74-15.6-173.7-62.90000114.3T99 R100 C129 D131T99-S103 PolarHBondContact O-N 3.44Å; T99-S103 PolarHBondContact O-OG 3.23Å; R100-S103 PolarHBondContact O-N 2.76Å; S103-C129 PolarHBondContact O-SG 3.03Å; S103-D131 WeakPolarHBondContact CB-OD1 3.4Å; S103-D131 WeakPolarHBondContact OG-CA 3.15Å; S103-D131 PolarHBondContact OG-OD1 3.14Å
104S96.3Very high95.9Very high65 Ų6547.5 Ų47.546%0.45526%0.257SS..THydrogen-bonded Turntrans-88.8-5.6170.550.80000113.5R100 A101 C102 E106R100-S104 WeakPolarHBondContact O-CB 3.14Å; R100-S104 PolarHBondContact O-N 2.74Å; R100-S104 PolarHBondContact O-OG 2.93Å; A101-S104 WeakPolarHBondContact CA-OG 3.07Å; A101-S104 PolarHBondContact O-OG 3.46Å; A101-S104 VanDerWaalsContact O-OG 3.11Å; C102-S104 VanDerWaalsContact C-N 3.26Å; C102-S104 PolarHBondContact O-N 3.2Å; S104-E106 VanDerWaalsContact C-N 3.32Å; S104-E106 WeakPolarHBondContact OG-CG 3.37Å
105G95.6Very high95.6Very high62 Ų6254.1 Ų54.164%0.63929%0.292SS*.THydrogen-bonded Turntrans75.417.4-176.800000114.1A101 C102 L107A101-G105 PolarHBondContact O-N 2.9Å; C102-G105 PolarHBondContact O-N 3.36Å; G105-L107 VanDerWaalsContact C-N 3.28Å
106E95.3Very high95Very high113 Ų11355.3 Ų55.353%0.52830%0.3SS..  trans-72.3-22.3174.8-69.8180-152.700112.8R43 A101 S104R43-E106 IonicContact CZ-OE2 3.73Å; R43-E106 IonicContact NH1-OE2 2.99Å; R43-E106 PolarHBondContact NH1-OE2 3.4Å; R43-E106 IonicContact NH2-OE1 2.79Å; R43-E106 IonicContact NH2-OE2 3.77Å; R43-E106 PolarHBondContact NH2-OE2 3.21Å; A101-E106 HydrophobicContact CB-CB 4.31Å; A101-E106 WeakPolarHBondContact O-CB 3.49Å; A101-E106 PolarHBondContact O-N 3.01Å; S104-E106 VanDerWaalsContact C-N 3.32Å; S104-E106 WeakPolarHBondContact OG-CG 3.37Å
107L94.5Very high94.5Very high14 Ų1460.9 Ų60.97%0.07333%0.326CS..  trans-115.4131.9-177.6-60.1178.8000110E36 V37 A101 G105 C110E36-L107 HydrophobicContact CB-CD2 4.49Å; E36-L107 HydrophobicContact CG-CD2 4.41Å; E36-L107 VanDerWaalsContact O-CD2 3.27Å; E36-L107 WeakPolarHBondContact O-CD2 3.12Å; V37-L107 HydrophobicContact CG1-CD1 4.35Å; V37-L107 HydrophobicContact CG2-CD1 4.24Å; V37-L107 HydrophobicContact CG2-CD2 4.5Å; A101-L107 HydrophobicContact CB-CD1 3.71Å; A101-L107 HydrophobicContact CB-CG 3.86Å; G105-L107 VanDerWaalsContact C-N 3.28Å; L107-C110 VanDerWaalsContact CB-SG 3.52Å
108E90.7Very high94.1Very high188 Ų18862 Ų6288%0.87934%0.338SS*.THydrogen-bonded Turntrans-77.1-33-177.2-63.2-174.7169.800113.1C110E108-C110 VanDerWaalsContact C-N 3.31Å; E108-C110 PolarHBondContact O-N 3Å
109K90.4Very high93.7Very high143 Ų14366.8 Ų66.862%0.62237%0.367SS*.THydrogen-bonded Turntrans-85.62.3-172.9-60.3-169.4-168.6134.30114.6E36E36-K109 WeakPolarHBondContact OE1-CD 3.18Å; E36-K109 VanDerWaalsContact OE1-CE 3.23Å; E36-K109 WeakPolarHBondContact OE1-CE 3.23Å; E36-K109 IonicContact OE1-NZ 2.7Å; E36-K109 PolarHBondContact OE1-NZ 2.7Å; E36-K109 IonicContact OE2-NZ 3.65Å
110C94.9Very high93.4Very high21 Ų2167.1 Ų67.114%0.14237%0.369CS..  trans-146.9167.317660.80000110.2C102 L107 E108 Y135C102-C110 WeakPolarHBondContact CA-SG 3.35Å; C102-C110 HydrophobicContact CB-CB 3.77Å; C102-C110 WeakPolarHBondContact CB-SG 3.39Å; C102-C110 WeakPolarHBondContact SG-CB 3.13Å; C102-C110 CovalentContact SG-SG 2.03Å; C102-C110 PolarHBondContact SG-SG 3.01Å; L107-C110 VanDerWaalsContact CB-SG 3.52Å; E108-C110 VanDerWaalsContact C-N 3.31Å; E108-C110 PolarHBondContact O-N 3Å; C110-Y135 HydrophobicContact CB-CD1 3.96Å; C110-Y135 HydrophobicContact CB-CD2 4.07Å; C110-Y135 HydrophobicContact CB-CE1 3.7Å; C110-Y135 HydrophobicContact CB-CE2 3.79Å; C110-Y135 HydrophobicContact CB-CG 4.15Å
111G95.1Very high93Very high24 Ų2468.8 Ų68.825%0.24739%0.392CS..  trans-164.6-152.3-177.900000112N132G111-N132 WeakPolarHBondContact O-CB 3.49Å
112C95.7Very high92.4Very high37 Ų3775 Ų7525%0.2542%0.421CS..  trans-65.5157.7176.9-47.60000111.9H114 C129 S130C112-H114 PolarHBondContact O-CD2 3.24Å; C112-H114 PolarHBondContact O-N 3.31Å; C112-C129 HydrophobicContact CB-CB 4.02Å; C112-C129 WeakPolarHBondContact CB-SG 3.46Å; C112-C129 VanDerWaalsContact SG-CA 3.51Å; C112-C129 WeakPolarHBondContact SG-CB 3.33Å; C112-C129 CovalentContact SG-SG 2.03Å; C112-C129 PolarHBondContact SG-SG 3.37Å; C112-S130 CarbonylContact C-O 3.49Å; C112-S130 WeakPolarHBondContact CA-O 3.37Å
113D95.2Very high91.9Very high31 Ų3177.9 Ų77.917%0.16645%0.451CS..  trans-77.9114.6170-17712.7000110.3N115 S130 N132D113-N115 VanDerWaalsContact OD1-CB 3.3Å; D113-N115 WeakPolarHBondContact OD1-CB 3.37Å; D113-N115 PolarHBondContact OD1-N 2.86Å; D113-N115 PolarHBondContact OD1-ND2 3.48Å; D113-S130 PolarHBondContact N-O 3.03Å; D113-N132 HydrophobicContact CB-CB 4.06Å
114H90.5Very high91.5Very high150 Ų15077.7 Ų77.769%0.69445%0.448SS*.  trans-90.5-3.7179.5-63.2-67.3000113.5C112 V116 H117C112-H114 PolarHBondContact O-CD2 3.24Å; C112-H114 PolarHBondContact O-N 3.31Å; H114-V116 PolarHBondContact O-N 3.45Å; H114-H117 PolarHBondContact O-ND1 3.16Å; H114-H117 VanDerWaalsContact O-ND1 3.12Å
115N90.1Very high91.4Very high139 Ų13979.9 Ų79.974%0.74345%0.451SS*.SBendtrans-74-14.5179.1-59.3-55.8000112.7D113D113-N115 VanDerWaalsContact OD1-CB 3.3Å; D113-N115 WeakPolarHBondContact OD1-CB 3.37Å; D113-N115 PolarHBondContact OD1-N 2.86Å; D113-N115 PolarHBondContact OD1-ND2 3.48Å
116V86Confident91.3Very high26 Ų2679 Ų7916%0.15843%0.428CS..SBendtrans-106.798.6-179.3-172.90000109.2H114 W126 K196H114-V116 PolarHBondContact O-N 3.45Å; V116-W126 HydrophobicContact CG1-CB 4.37Å; V116-W126 HydrophobicContact CG1-CD2 3.23Å; V116-W126 VanDerWaalsContact CG1-CE2 3.49Å; V116-W126 HydrophobicContact CG1-CE3 3.36Å; V116-W126 HydrophobicContact CG1-CG 3.7Å; V116-W126 HydrophobicContact CG1-CH2 3.99Å; V116-W126 HydrophobicContact CG1-CZ2 3.88Å; V116-W126 HydrophobicContact CG1-CZ3 3.76Å; V116-K196 HydrophobicContact CG2-CD 4.12Å
117H88.8Confident91.2Very high139 Ų13976.7 Ų76.764%0.64443%0.425SS*.  trans-144.7170.2-175.356.4-92.6000111.8H114H114-H117 PolarHBondContact O-ND1 3.16Å; H114-H117 VanDerWaalsContact O-ND1 3.12Å
118G89.8Confident91Very high33 Ų3379 Ų7934%0.3445%0.452SS..SBendtrans79.7-155.917800000113.7W126G118-W126 PolarHBondContact O-N 3.38Å
119V91.1Very high91.3Very high99 Ų9971.8 Ų71.860%0.642%0.422SS*.BIsolated β-bridgetrans-96.5132.6-179.7-1760000109.2
120S91.1Very high91.6Very high7 Ų765.3 Ų65.35%0.04939%0.394CS..  trans-74.9158.4177.191.50000111.4E122 G123 F124S120-E122 WeakPolarHBondContact CB-OE2 3.3Å; S120-E122 PolarHBondContact O-N 3.29Å; S120-E122 VanDerWaalsContact O-N 3.15Å; S120-E122 PolarHBondContact OG-N 2.9Å; S120-E122 VanDerWaalsContact OG-N 3.16Å; S120-E122 PolarHBondContact OG-OE2 2.88Å; S120-G123 PolarHBondContact O-N 3.07Å; S120-G123 PolarHBondContact OG-N 2.71Å; S120-F124 VanDerWaalsContact CB-CZ 3.48Å; S120-F124 PolarHBondContact N-O 3.35Å; S120-F124 WeakPolarHBondContact OG-CD1 3.32Å; S120-F124 WeakPolarHBondContact OG-CE1 3.48Å; S120-F124 WeakPolarHBondContact OG-CG 3.27Å; S120-F124 VanDerWaalsContact OG-CZ 3.32Å; S120-F124 WeakPolarHBondContact OG-CZ 3.4Å; S120-F124 PolarHBondContact OG-N 3.06Å
121P89.1Confident91.7Very high130 Ų13064.7 Ų64.784%0.84439%0.389SS*.THydrogen-bonded Turntrans-55.8-27.8171.9-25.235.7000113.7G123P121-G123 VanDerWaalsContact C-N 3.27Å; P121-G123 PolarHBondContact O-N 2.67Å
122E85.8Confident91.8Very high132 Ų13265.2 Ų65.262%0.61739%0.387SS*.THydrogen-bonded Turntrans-85.16.3178.1-48.477.3-168.200113.4S120 F124S120-E122 WeakPolarHBondContact CB-OE2 3.3Å; S120-E122 PolarHBondContact O-N 3.29Å; S120-E122 VanDerWaalsContact O-N 3.15Å; S120-E122 PolarHBondContact OG-N 2.9Å; S120-E122 VanDerWaalsContact OG-N 3.16Å; S120-E122 PolarHBondContact OG-OE2 2.88Å; E122-F124 HydrophobicContact CB-CD1 4.07Å; E122-F124 HydrophobicContact CB-CE1 3.97Å; E122-F124 HydrophobicContact CG-CE1 4.46Å; E122-F124 WeakPolarHBondContact OE2-CE1 3.49Å
123G86.6Confident91.9Very high62 Ų6264.2 Ų64.264%0.63938%0.379SS*.SBendtrans85.95.417000000116.3S120 P121S120-G123 PolarHBondContact O-N 3.07Å; S120-G123 PolarHBondContact OG-N 2.71Å; P121-G123 VanDerWaalsContact C-N 3.27Å; P121-G123 PolarHBondContact O-N 2.67Å
124F89.5Confident92Very high16 Ų1665.7 Ų65.77%0.0740%0.395CS..PPolyproline II helixtrans-95.5159.3173.463.6-100.5000112S120 E122 W126 V178 K192 C194S120-F124 VanDerWaalsContact CB-CZ 3.48Å; S120-F124 PolarHBondContact N-O 3.35Å; S120-F124 WeakPolarHBondContact OG-CD1 3.32Å; S120-F124 WeakPolarHBondContact OG-CE1 3.48Å; S120-F124 WeakPolarHBondContact OG-CG 3.27Å; S120-F124 VanDerWaalsContact OG-CZ 3.32Å; S120-F124 WeakPolarHBondContact OG-CZ 3.4Å; S120-F124 PolarHBondContact OG-N 3.06Å; E122-F124 HydrophobicContact CB-CD1 4.07Å; E122-F124 HydrophobicContact CB-CE1 3.97Å; E122-F124 HydrophobicContact CG-CE1 4.46Å; E122-F124 WeakPolarHBondContact OE2-CE1 3.49Å; F124-W126 AromaticContact CE2-CD2 3.78Å; F124-W126 HydrophobicContact CE2-CD2 3.78Å; F124-W126 AromaticContact CE2-CE2 3.64Å; F124-W126 AromaticContact CE2-CE3 3.91Å; F124-W126 HydrophobicContact CE2-CE3 3.91Å; F124-W126 AromaticContact CE2-CH2 3.79Å; F124-W126 HydrophobicContact CE2-CH2 3.79Å; F124-W126 AromaticContact CE2-CZ2 3.65Å; F124-W126 HydrophobicContact CE2-CZ2 3.65Å; F124-W126 AromaticContact CE2-CZ3 3.92Å; F124-W126 HydrophobicContact CE2-CZ3 3.92Å; F124-W126 AromaticContact CZ-CH2 3.86Å; F124-W126 HydrophobicContact CZ-CH2 3.86Å; F124-W126 AromaticContact CZ-CZ2 3.73Å; F124-W126 HydrophobicContact CZ-CZ2 3.73Å; F124-W126 HydrophobicContact CZ-CZ3 4.38Å; F124-V178 HydrophobicContact CE1-CG1 4.47Å; F124-V178 HydrophobicContact CE2-CG1 4.2Å; F124-V178 HydrophobicContact CZ-CG1 3.83Å; F124-K192 HydrophobicContact CB-CD 4.27Å; F124-K192 HydrophobicContact CB-CG 3.73Å; F124-C194 HydrophobicContact CD2-CB 3.51Å; F124-C194 WeakPolarHBondContact CD2-SG 3.5Å; F124-C194 HydrophobicContact CE2-CB 3.52Å; F124-C194 HydrophobicContact CG-CB 4.26Å; F124-C194 WeakPolarHBondContact CG-SG 3.27Å; F124-C194 HydrophobicContact CZ-CB 4.28Å
125Q93Very high92.3Very high112 Ų11261.9 Ų61.952%0.52338%0.375SS..EExtended strand (participates in β ladder)trans-94.2131.3177.7-168.2142.4-1.200111.5S127 K192 T193 C194Q125-S127 PolarHBondContact O-N 3.2Å; Q125-K192 PolarHBondContact N-O 3.46Å; Q125-T193 CarbonylContact O-C 3.55Å; Q125-T193 VanDerWaalsContact O-CA 3.23Å; Q125-T193 WeakPolarHBondContact O-CA 3.19Å; Q125-C194 PolarHBondContact O-N 3.44Å
126W94Very high92.7Very high42 Ų4255.3 Ų55.316%0.15934%0.34CS..EExtended strand (participates in β ladder)trans-70.3124.1169.9-66.9110.5000109.8V116 G118 F124 V178 C194 K196V116-W126 HydrophobicContact CG1-CB 4.37Å; V116-W126 HydrophobicContact CG1-CD2 3.23Å; V116-W126 VanDerWaalsContact CG1-CE2 3.49Å; V116-W126 HydrophobicContact CG1-CE3 3.36Å; V116-W126 HydrophobicContact CG1-CG 3.7Å; V116-W126 HydrophobicContact CG1-CH2 3.99Å; V116-W126 HydrophobicContact CG1-CZ2 3.88Å; V116-W126 HydrophobicContact CG1-CZ3 3.76Å; G118-W126 PolarHBondContact O-N 3.38Å; F124-W126 AromaticContact CE2-CD2 3.78Å; F124-W126 HydrophobicContact CE2-CD2 3.78Å; F124-W126 AromaticContact CE2-CE2 3.64Å; F124-W126 AromaticContact CE2-CE3 3.91Å; F124-W126 HydrophobicContact CE2-CE3 3.91Å; F124-W126 AromaticContact CE2-CH2 3.79Å; F124-W126 HydrophobicContact CE2-CH2 3.79Å; F124-W126 AromaticContact CE2-CZ2 3.65Å; F124-W126 HydrophobicContact CE2-CZ2 3.65Å; F124-W126 AromaticContact CE2-CZ3 3.92Å; F124-W126 HydrophobicContact CE2-CZ3 3.92Å; F124-W126 AromaticContact CZ-CH2 3.86Å; F124-W126 HydrophobicContact CZ-CH2 3.86Å; F124-W126 AromaticContact CZ-CZ2 3.73Å; F124-W126 HydrophobicContact CZ-CZ2 3.73Å; F124-W126 HydrophobicContact CZ-CZ3 4.38Å; W126-V178 HydrophobicContact CH2-CG1 4.15Å; W126-V178 HydrophobicContact CH2-CG2 3.8Å; W126-V178 HydrophobicContact CZ3-CG1 4.13Å; W126-V178 HydrophobicContact CZ3-CG2 4.35Å; W126-C194 WeakPolarHBondContact CA-O 3.24Å; W126-K196 HydrophobicContact CH2-CG 4.14Å; W126-K196 HydrophobicContact CZ3-CG 3.96Å
127S92.8Very high93.3Very high66 Ų6654.6 Ų54.646%0.46234%0.336SS..  trans-161.1170.3177.8-161.70000110.7Q125 C194 W195Q125-S127 PolarHBondContact O-N 3.2Å; S127-C194 PolarHBondContact N-O 3.49Å; S127-C194 CarbonylContact O-C 3.51Å; S127-W195 WeakPolarHBondContact O-CB 3.47Å
128G91.9Very high93.7Very high62 Ų6250.4 Ų50.464%0.63933%0.325SS*.SBendtrans81.4-157.4-173.500000112.2
129C95.3Very high94.1Very high37 Ų3749.5 Ų49.525%0.2531%0.312CS..  trans-105.2103.8-178.3-171.70000110.4S103 C112S103-C129 PolarHBondContact O-SG 3.03Å; C112-C129 HydrophobicContact CB-CB 4.02Å; C112-C129 WeakPolarHBondContact CB-SG 3.46Å; C112-C129 VanDerWaalsContact SG-CA 3.51Å; C112-C129 WeakPolarHBondContact SG-CB 3.33Å; C112-C129 CovalentContact SG-SG 2.03Å; C112-C129 PolarHBondContact SG-SG 3.37Å
130S97.1Very high94.4Very high6 Ų644.8 Ų44.84%0.04228%0.283CS..  trans-72.8130.6168.4-69.70000109.8C112 D113 N132 K196C112-S130 CarbonylContact C-O 3.49Å; C112-S130 WeakPolarHBondContact CA-O 3.37Å; D113-S130 PolarHBondContact N-O 3.03Å; S130-N132 PolarHBondContact O-N 3.43Å; S130-K196 CarbonylContact C-O 3.55Å; S130-K196 VanDerWaalsContact CA-O 3.27Å; S130-K196 WeakPolarHBondContact CA-O 3.28Å; S130-K196 PolarHBondContact OG-N 2.86Å
131D97.8Very high94.6Very high8 Ų847.4 Ų47.44%0.04330%0.295CS..  trans-64.6117.6179.4-79.8-27.8000110.3T99 R100 S103 I133 M176 K196 A197 M198T99-D131 HydrophobicContact CG2-CB 3.92Å; R100-D131 IonicContact CZ-OD2 3.81Å; R100-D131 IonicContact NH1-OD1 2.67Å; R100-D131 PolarHBondContact NH1-OD1 3.34Å; R100-D131 IonicContact NH1-OD2 3.82Å; R100-D131 PolarHBondContact NH1-OD2 2.9Å; R100-D131 IonicContact NH2-OD2 2.82Å; S103-D131 WeakPolarHBondContact CB-OD1 3.4Å; S103-D131 WeakPolarHBondContact OG-CA 3.15Å; S103-D131 PolarHBondContact OG-OD1 3.14Å; D131-I133 VanDerWaalsContact C-N 3.3Å; D131-I133 PolarHBondContact O-N 3.17Å; D131-M176 HydrophobicContact CB-CE 3.98Å; D131-K196 PolarHBondContact N-O 2.89Å; D131-A197 WeakPolarHBondContact OD2-CA 3.36Å; D131-M198 HydrophobicContact CB-CE 4.49Å; D131-M198 HydrophobicContact CB-CG 4.03Å; D131-M198 PolarHBondContact OD2-N 3.26Å
132N96.9Very high94.9Very high36 Ų3643.8 Ų43.819%0.19327%0.272CS..  trans-81.375.4177.5-171.7-10.4000111.1T99 G111 D113 S130 A134 Y135T99-N132 VanDerWaalsContact CG2-C 3.49Å; T99-N132 WeakPolarHBondContact CG2-O 3.35Å; T99-N132 PolarHBondContact OG1-O 3.42Å; T99-N132 VanDerWaalsContact OG1-O 3.04Å; G111-N132 WeakPolarHBondContact O-CB 3.49Å; D113-N132 HydrophobicContact CB-CB 4.06Å; S130-N132 PolarHBondContact O-N 3.43Å; N132-A134 VanDerWaalsContact C-N 3.26Å; N132-A134 PolarHBondContact O-N 2.86Å; N132-A134 PolarHBondContact OD1-N 3.43Å; N132-Y135 PolarHBondContact O-N 3.32Å; N132-Y135 PolarHBondContact OD1-N 3.27Å; N132-Y135 VanDerWaalsContact OD1-N 3.16Å
133I97.6Very high95.3Very high15 Ų1537.7 Ų37.78%0.07724%0.244CC..Hα-helixtrans-65.5-29.2-179.8-176.456.6000112.7A95 T99 D131 Y135 G136 V137 I172 L173 M176 M198A95-I133 HydrophobicContact CB-CD1 4.41Å; T99-I133 HydrophobicContact CG2-CB 4.48Å; T99-I133 WeakPolarHBondContact OG1-CA 3.47Å; D131-I133 VanDerWaalsContact C-N 3.3Å; D131-I133 PolarHBondContact O-N 3.17Å; I133-Y135 VanDerWaalsContact C-N 3.3Å; I133-Y135 PolarHBondContact O-N 3.15Å; I133-G136 PolarHBondContact O-N 2.98Å; I133-V137 HydrophobicContact CD1-CG2 4.01Å; I133-V137 HydrophobicContact CG1-CG2 4.03Å; I133-V137 WeakPolarHBondContact O-CB 3.45Å; I133-V137 WeakPolarHBondContact O-CG2 3.4Å; I133-V137 PolarHBondContact O-N 3.5Å; I133-I172 HydrophobicContact CD1-CB 4.22Å; I133-I172 HydrophobicContact CD1-CD1 4.45Å; I133-I172 HydrophobicContact CD1-CG2 3.63Å; I133-I172 HydrophobicContact CG1-CB 4.47Å; I133-I172 HydrophobicContact CG1-CG2 3.88Å; I133-L173 HydrophobicContact CB-CD2 4.23Å; I133-L173 HydrophobicContact CG1-CD2 3.7Å; I133-L173 HydrophobicContact CG1-CG 4.18Å; I133-L173 HydrophobicContact CG2-CD2 3.57Å; I133-M176 HydrophobicContact CB-CE 4.35Å; I133-M176 HydrophobicContact CB-SD 4.06Å; I133-M176 HydrophobicContact CG1-SD 4.46Å; I133-M176 HydrophobicContact CG2-CE 3.96Å; I133-M176 HydrophobicContact CG2-CG 4.12Å; I133-M176 HydrophobicContact CG2-SD 3.82Å; I133-M198 HydrophobicContact CD1-CG 4.48Å; I133-M198 HydrophobicContact CD1-SD 3.84Å
134A97.1Very high95.5Very high62 Ų6235.3 Ų35.351%0.51222%0.217SC..Hα-helixtrans-60-40.9177.600000111.8N132 V137 A138N132-A134 VanDerWaalsContact C-N 3.26Å; N132-A134 PolarHBondContact O-N 2.86Å; N132-A134 PolarHBondContact OD1-N 3.43Å; A134-V137 PolarHBondContact O-N 3.46Å; A134-A138 WeakPolarHBondContact O-CB 3.2Å; A134-A138 PolarHBondContact O-N 3.42Å
135Y97.1Very high95.7Very high71 Ų7134.7 Ų34.728%0.27821%0.214SC..Hα-helixtrans-61.7-48.6174.6-178.1-87.3000112.2V98 C102 C110 N132 I133 V137 A138 F139V98-Y135 HydrophobicContact CG1-CD1 3.94Å; V98-Y135 HydrophobicContact CG1-CE1 3.76Å; C102-Y135 WeakPolarHBondContact SG-CD1 3.38Å; C102-Y135 VanDerWaalsContact SG-CE1 3.52Å; C110-Y135 HydrophobicContact CB-CD1 3.96Å; C110-Y135 HydrophobicContact CB-CD2 4.07Å; C110-Y135 HydrophobicContact CB-CE1 3.7Å; C110-Y135 HydrophobicContact CB-CE2 3.79Å; C110-Y135 HydrophobicContact CB-CG 4.15Å; N132-Y135 PolarHBondContact O-N 3.32Å; N132-Y135 PolarHBondContact OD1-N 3.27Å; N132-Y135 VanDerWaalsContact OD1-N 3.16Å; I133-Y135 VanDerWaalsContact C-N 3.3Å; I133-Y135 PolarHBondContact O-N 3.15Å; Y135-V137 VanDerWaalsContact C-N 3.34Å; Y135-V137 PolarHBondContact O-N 2.95Å; Y135-A138 PolarHBondContact O-N 3.21Å; Y135-F139 PolarHBondContact O-N 3.18Å
136G97.9Very high95.5Very high0 Ų030.2 Ų30.20%020%0.195CC..Hα-helixtrans-63.7-38.7179.300000112.8A95 T99 I133 F139 S140A95-G136 WeakPolarHBondContact CA-O 3.42Å; T99-G136 VanDerWaalsContact OG1-CA 3.32Å; T99-G136 WeakPolarHBondContact OG1-CA 3.39Å; T99-G136 PolarHBondContact OG1-N 3.32Å; I133-G136 PolarHBondContact O-N 2.98Å; G136-F139 PolarHBondContact O-N 3.48Å; G136-S140 VanDerWaalsContact O-CB 3.31Å; G136-S140 WeakPolarHBondContact O-CB 3.22Å; G136-S140 PolarHBondContact O-N 3.15Å
137V98.4Very high95.1Very high11 Ų1132.5 Ų32.57%0.06720%0.203CC..Hα-helixtrans-62.8-46.9173.9163.10000111.2A95 I133 A134 Y135 F139 S140 Q141 R169 L173A95-V137 HydrophobicContact CB-CG2 4.15Å; I133-V137 HydrophobicContact CD1-CG2 4.01Å; I133-V137 HydrophobicContact CG1-CG2 4.03Å; I133-V137 WeakPolarHBondContact O-CB 3.45Å; I133-V137 WeakPolarHBondContact O-CG2 3.4Å; I133-V137 PolarHBondContact O-N 3.5Å; A134-V137 PolarHBondContact O-N 3.46Å; Y135-V137 VanDerWaalsContact C-N 3.34Å; Y135-V137 PolarHBondContact O-N 2.95Å; V137-F139 VanDerWaalsContact C-N 3.35Å; V137-F139 PolarHBondContact O-N 2.98Å; V137-S140 PolarHBondContact O-N 3.37Å; V137-Q141 WeakPolarHBondContact O-CB 3.47Å; V137-Q141 WeakPolarHBondContact O-CG 3.45Å; V137-Q141 PolarHBondContact O-N 3.38Å; V137-R169 HydrophobicContact CG1-CB 4.48Å; V137-R169 HydrophobicContact CG2-CB 4.1Å; V137-R169 HydrophobicContact CG2-CG 4.4Å; V137-L173 HydrophobicContact CG1-CD1 4.3Å; V137-L173 HydrophobicContact CG2-CD1 3.96Å; V137-L173 HydrophobicContact CG2-CD2 4.21Å; V137-L173 HydrophobicContact CG2-CG 4.01Å
138A97.8Very high94.7Very high51 Ų5129.6 Ų29.642%0.42118%0.183SC..Hα-helixtrans-61.7-42.8177.500000111.8A134 Y135 Q141 S142A134-A138 WeakPolarHBondContact O-CB 3.2Å; A134-A138 PolarHBondContact O-N 3.42Å; Y135-A138 PolarHBondContact O-N 3.21Å; A138-Q141 PolarHBondContact O-N 3.42Å; A138-S142 PolarHBondContact O-N 2.98Å
139F97.4Very high94.2Very high14 Ų1433.8 Ų33.86%0.06118%0.179CC..Hα-helixtrans-61.6-49.5174.3-175.6-84.3000111.2V37 V41 V94 V98 Y135 G136 V137 Q141 S142 F143V37-F139 HydrophobicContact CB-CE2 4.01Å; V37-F139 HydrophobicContact CB-CZ 4.14Å; V37-F139 HydrophobicContact CG1-CD1 4.42Å; V37-F139 HydrophobicContact CG1-CD2 4.08Å; V37-F139 HydrophobicContact CG1-CE1 4.07Å; V37-F139 HydrophobicContact CG1-CE2 3.67Å; V37-F139 HydrophobicContact CG1-CG 4.44Å; V37-F139 HydrophobicContact CG1-CZ 3.66Å; V37-F139 HydrophobicContact CG2-CE2 4.34Å; V41-F139 HydrophobicContact CG2-CD1 4.46Å; V41-F139 HydrophobicContact CG2-CE1 3.4Å; V41-F139 VanDerWaalsContact CG2-CE1 3.4Å; V41-F139 HydrophobicContact CG2-CZ 3.8Å; V94-F139 HydrophobicContact CG1-CD1 4.05Å; V94-F139 HydrophobicContact CG1-CE1 4.22Å; V98-F139 HydrophobicContact CG1-CB 4.17Å; V98-F139 HydrophobicContact CG1-CD1 4.47Å; V98-F139 HydrophobicContact CG1-CG 4.24Å; V98-F139 HydrophobicContact CG2-CD1 3.66Å; V98-F139 HydrophobicContact CG2-CE1 4.06Å; V98-F139 HydrophobicContact CG2-CG 4.26Å; Y135-F139 PolarHBondContact O-N 3.18Å; G136-F139 PolarHBondContact O-N 3.48Å; V137-F139 VanDerWaalsContact C-N 3.35Å; V137-F139 PolarHBondContact O-N 2.98Å; F139-Q141 VanDerWaalsContact C-N 3.33Å; F139-Q141 PolarHBondContact O-N 3.09Å; F139-S142 PolarHBondContact O-N 3.07Å; F139-S142 PolarHBondContact O-OG 3Å; F139-F143 HydrophobicContact CD1-CB 4.36Å; F139-F143 HydrophobicContact CE1-CB 3.91Å; F139-F143 HydrophobicContact CE1-CG 4.19Å; F139-F143 HydrophobicContact CZ-CB 4.37Å; F139-F143 WeakPolarHBondContact O-CB 3.49Å; F139-F143 PolarHBondContact O-N 2.93Å
140S97.4Very high93Very high0 Ų033.3 Ų33.30%018%0.18CC..Hα-helixtrans-57.3-43.5177.9177.80000112A91 G136 V137 S142 F143 V144A91-S140 PolarHBondContact O-OG 3.17Å; G136-S140 VanDerWaalsContact O-CB 3.31Å; G136-S140 WeakPolarHBondContact O-CB 3.22Å; G136-S140 PolarHBondContact O-N 3.15Å; V137-S140 PolarHBondContact O-N 3.37Å; S140-S142 PolarHBondContact O-N 2.8Å; S140-F143 PolarHBondContact O-N 3.34Å; S140-V144 WeakPolarHBondContact O-CA 3.27Å; S140-V144 VanDerWaalsContact O-CB 3.22Å; S140-V144 WeakPolarHBondContact O-CB 3.34Å; S140-V144 WeakPolarHBondContact O-CG2 3.47Å; S140-V144 PolarHBondContact O-N 3.42Å
141Q96.7Very high90.9Very high62 Ų6242.6 Ų42.629%0.2922%0.22SC..Hα-helixtrans-59.9-45.7173-75.4173.3-17.400111.8V137 A138 F139 F143 D145 E166V137-Q141 WeakPolarHBondContact O-CB 3.47Å; V137-Q141 WeakPolarHBondContact O-CG 3.45Å; V137-Q141 PolarHBondContact O-N 3.38Å; A138-Q141 PolarHBondContact O-N 3.42Å; F139-Q141 VanDerWaalsContact C-N 3.33Å; F139-Q141 PolarHBondContact O-N 3.09Å; Q141-F143 VanDerWaalsContact C-N 3.33Å; Q141-F143 PolarHBondContact O-N 2.83Å; Q141-D145 WeakPolarHBondContact O-CB 3.35Å; Q141-D145 PolarHBondContact O-N 3.43Å; Q141-E166 PolarHBondContact NE2-OE2 3.11Å
142S94.9Very high88.9Confident54 Ų5446.4 Ų46.438%0.37826%0.261SS..Hα-helixtrans-64.9-36.8-179.678.40000112.7I30 A138 F139 S140 V146I30-S142 WeakPolarHBondContact CD1-O 3.29Å; A138-S142 PolarHBondContact O-N 2.98Å; F139-S142 PolarHBondContact O-N 3.07Å; F139-S142 PolarHBondContact O-OG 3Å; S140-S142 PolarHBondContact O-N 2.8Å; S142-V146 WeakPolarHBondContact O-CB 3.44Å
143F93.6Very high86.8Confident5 Ų549.2 Ų49.22%0.02227%0.273CS..Hα-helixtrans-95.2-42.2-171-174.7-96.4000113.9L23 Q27 I30 M38 V41 F139 S140 Q141 V146L23-F143 HydrophobicContact CD1-CZ 4.41Å; L23-F143 HydrophobicContact CD2-CZ 3.85Å; Q27-F143 HydrophobicContact CB-CE2 4.1Å; Q27-F143 HydrophobicContact CB-CZ 4.45Å; Q27-F143 HydrophobicContact CG-CE2 4.47Å; Q27-F143 PolarHBondContact NE2-O 3.47Å; I30-F143 HydrophobicContact CB-CD2 4.15Å; I30-F143 HydrophobicContact CG2-CD2 3.81Å; M38-F143 HydrophobicContact CE-CE2 3.96Å; M38-F143 HydrophobicContact CE-CZ 3.82Å; M38-F143 HydrophobicContact SD-CE2 4.18Å; V41-F143 HydrophobicContact CG1-CD1 4.25Å; V41-F143 HydrophobicContact CG1-CE1 3.74Å; V41-F143 HydrophobicContact CG1-CZ 4.21Å; F139-F143 HydrophobicContact CD1-CB 4.36Å; F139-F143 HydrophobicContact CE1-CB 3.91Å; F139-F143 HydrophobicContact CE1-CG 4.19Å; F139-F143 HydrophobicContact CZ-CB 4.37Å; F139-F143 WeakPolarHBondContact O-CB 3.49Å; F139-F143 PolarHBondContact O-N 2.93Å; S140-F143 PolarHBondContact O-N 3.34Å; Q141-F143 VanDerWaalsContact C-N 3.33Å; Q141-F143 PolarHBondContact O-N 2.83Å; F143-V146 WeakPolarHBondContact O-CG1 3.35Å
144V92.2Very high85Confident11 Ų1151.8 Ų51.87%0.06729%0.293CS..Hα-helixtrans-82.4-43.7-176.6-1760000110.6A91 V94 S140 V146A91-V144 HydrophobicContact CB-CG1 4.43Å; V94-V144 HydrophobicContact CB-CG2 4.26Å; V94-V144 HydrophobicContact CG1-CG2 4.35Å; V94-V144 HydrophobicContact CG2-CG2 4.11Å; S140-V144 WeakPolarHBondContact O-CA 3.27Å; S140-V144 VanDerWaalsContact O-CB 3.22Å; S140-V144 WeakPolarHBondContact O-CB 3.34Å; S140-V144 WeakPolarHBondContact O-CG2 3.47Å; S140-V144 PolarHBondContact O-N 3.42Å; V144-V146 VanDerWaalsContact C-N 3.35Å; V144-V146 PolarHBondContact O-N 3.03Å
145D92.5Very high84.3Confident3 Ų350.8 Ų50.82%0.01628%0.282CS..G310 helixtrans-79-17.6-171.6-60-3.3000113.3Q141 R147 E148 R149 L162 N165 R169Q141-D145 WeakPolarHBondContact O-CB 3.35Å; Q141-D145 PolarHBondContact O-N 3.43Å; D145-R147 PolarHBondContact O-N 3.26Å; D145-R147 VanDerWaalsContact O-N 3.07Å; D145-E148 PolarHBondContact O-N 2.89Å; D145-R149 PolarHBondContact O-N 3.47Å; D145-R149 IonicContact OD2-NH2 3.74Å; D145-L162 HydrophobicContact CB-CD2 3.51Å; D145-N165 PolarHBondContact OD1-ND2 2.82Å; D145-R169 IonicContact OD1-CZ 3.87Å; D145-R169 IonicContact OD1-NH1 3.07Å; D145-R169 PolarHBondContact OD1-NH1 3.34Å; D145-R169 IonicContact OD1-NH2 2.78Å; D145-R169 IonicContact OD2-CZ 2.7Å; D145-R169 IonicContact OD2-NH1 2.8Å; D145-R169 PolarHBondContact OD2-NH1 3.5Å; D145-R169 IonicContact OD2-NH2 3.39Å; D145-R169 PolarHBondContact OD2-NH2 3.46Å
146V89.7Confident83.9Confident19 Ų1949.3 Ų49.312%0.11528%0.282CS..G310 helixtrans-59-25.1-177.869.60000113.2I24 R26 Q27 I30 S142 F143 V144I24-V146 HydrophobicContact CD1-CG1 4.32Å; R26-V146 HydrophobicContact CB-CG2 3.55Å; R26-V146 HydrophobicContact CG-CG2 4.21Å; Q27-V146 HydrophobicContact CG-CG1 3.35Å; I30-V146 HydrophobicContact CD1-CG1 4.27Å; S142-V146 WeakPolarHBondContact O-CB 3.44Å; F143-V146 WeakPolarHBondContact O-CG1 3.35Å; V144-V146 VanDerWaalsContact C-N 3.35Å; V144-V146 PolarHBondContact O-N 3.03Å
147R84.8Confident83.5Confident89 Ų8952.2 Ų52.234%0.33629%0.293SS..G310 helixtrans-66.6-37.2174.5-171.3173.4-166.7-179.1-1.2112.6I24 F72 D145I24-R147 HydrophobicContact CD1-CB 4.29Å; I24-R147 HydrophobicContact CG2-CG 4.41Å; F72-R147 VanDerWaalsContact CB-NH1 3.32Å; F72-R147 PolarHBondContact O-NH1 3.44Å; D145-R147 PolarHBondContact O-N 3.26Å; D145-R147 VanDerWaalsContact O-N 3.07Å
148E85.4Confident83.1Confident6 Ų651.9 Ų51.93%0.02829%0.291CS..THydrogen-bonded Turntrans-86.1-14.5-176.3-49.3-57144.200111.7Y87 D145 R157 A158 N161 L162Y87-E148 PolarHBondContact OH-OE1 3.41Å; Y87-E148 VanDerWaalsContact OH-OE1 3.13Å; D145-E148 PolarHBondContact O-N 2.89Å; E148-R157 IonicContact OE2-NH2 3.62Å; E148-A158 HydrophobicContact CB-CB 4.32Å; E148-N161 VanDerWaalsContact CD-ND2 3.27Å; E148-N161 HydrophobicContact CG-CB 3.81Å; E148-N161 PolarHBondContact OE1-ND2 3.49Å; E148-N161 PolarHBondContact OE2-ND2 2.93Å; E148-L162 HydrophobicContact CB-CD1 4.29Å; E148-L162 HydrophobicContact CB-CD2 3.93Å; E148-L162 HydrophobicContact CB-CG 3.82Å; E148-L162 HydrophobicContact CG-CG 4.48Å
149R80.8Confident82.8Confident150 Ų15051.9 Ų51.957%0.56628%0.283SS*.THydrogen-bonded Turntrans-93.620.4177.5-62.4-179.9-178.8172.72.4114.1R26 D145R26-R149 PolarHBondContact NH1-O 3.46Å; D145-R149 PolarHBondContact O-N 3.47Å; D145-R149 IonicContact OD2-NH2 3.74Å
150G69.4Low82.7Confident27 Ų2751.2 Ų51.228%0.27828%0.281SS..  trans-66.9145.6177.900000113.1G152 Q153G150-G152 PolarHBondContact O-N 3.47Å; G150-Q153 PolarHBondContact O-N 2.9Å
151K53Low82.5Confident200 Ų20051.2 Ų51.287%0.8728%0.281SS*.THydrogen-bonded Turntrans-59.3129175.7-78.4-172.9175.5-177.10109.7
152G55.9Low82.4Confident88 Ų8850.3 Ų50.391%0.90728%0.277SS*.THydrogen-bonded Turntrans93.7-3.117700000116.1G150G150-G152 PolarHBondContact O-N 3.47Å
153Q53.5Low82.5Confident95 Ų9549.4 Ų49.444%0.44427%0.267SS..  trans-113.265.3-177.6-68.1-166.6-20.300113.1G150 S155 A158G150-Q153 PolarHBondContact O-N 2.9Å; Q153-S155 PolarHBondContact O-N 2.84Å; Q153-A158 WeakPolarHBondContact O-CB 3.5Å
154S60.4Low82.7Confident70 Ų7049.2 Ų49.249%0.4927%0.266SS..  trans-86.350.8160.174.90000110.1K227S154-K227 PolarHBondContact O-NZ 3.12Å; S154-K227 PolarHBondContact OG-NZ 3Å
155S80.4Confident83Confident41 Ų4148.7 Ų48.729%0.28726%0.263SS..  trans-76.8151.1176.5640000109.6Q153 R157 A158 L159Q153-S155 PolarHBondContact O-N 2.84Å; S155-R157 PolarHBondContact O-N 3.37Å; S155-R157 VanDerWaalsContact O-N 3.17Å; S155-A158 PolarHBondContact O-N 2.96Å; S155-A158 VanDerWaalsContact O-N 3.09Å; S155-A158 PolarHBondContact OG-N 3.26Å; S155-A158 VanDerWaalsContact OG-N 3.15Å; S155-L159 PolarHBondContact O-N 2.95Å
156S89.4Confident83.2Confident39 Ų3950.5 Ų50.527%0.27327%0.272SS..Hα-helixtrans-48.2-37.5167.951.90000111.6L159 M160S156-L159 PolarHBondContact O-N 3.2Å; S156-M160 WeakPolarHBondContact O-CB 3.33Å; S156-M160 PolarHBondContact O-N 3.39Å
157R88.9Confident83.7Confident62 Ų6249.8 Ų49.823%0.23427%0.268CS..Hα-helixtrans-62.2-46.4176.6-161.6-17969.175.614.9113.2T77 Y87 E148 S155 L159 M160 N161 L247T77-R157 WeakPolarHBondContact O-CD 3.36Å; Y87-R157 PolarHBondContact OH-NH1 2.8Å; E148-R157 IonicContact OE2-NH2 3.62Å; S155-R157 PolarHBondContact O-N 3.37Å; S155-R157 VanDerWaalsContact O-N 3.17Å; R157-L159 VanDerWaalsContact C-N 3.29Å; R157-L159 PolarHBondContact O-N 2.96Å; R157-M160 HydrophobicContact CG-CE 4.39Å; R157-M160 WeakPolarHBondContact O-CB 3.21Å; R157-M160 PolarHBondContact O-N 3.37Å; R157-N161 PolarHBondContact NH1-ND2 1.99Å; R157-N161 VanDerWaalsContact NH1-ND2 3.13Å; R157-N161 WeakPolarHBondContact O-CB 3.13Å; R157-N161 PolarHBondContact O-N 2.7Å; R157-N161 PolarHBondContact O-ND2 3.5Å; R157-N161 PolarHBondContact O-OD1 3.42Å; R157-L247 HydrophobicContact CB-CD1 4.16Å
158A90.2Very high84.3Confident3 Ų345.6 Ų45.63%0.02525%0.252CS..Hα-helixtrans-61.4-39.9178.100000111.5E148 Q153 S155 N161 L162E148-A158 HydrophobicContact CB-CB 4.32Å; Q153-A158 WeakPolarHBondContact O-CB 3.5Å; S155-A158 PolarHBondContact O-N 2.96Å; S155-A158 VanDerWaalsContact O-N 3.09Å; S155-A158 PolarHBondContact OG-N 3.26Å; S155-A158 VanDerWaalsContact OG-N 3.15Å; A158-N161 PolarHBondContact O-N 2.78Å; A158-L162 WeakPolarHBondContact O-CB 3.42Å; A158-L162 VanDerWaalsContact O-CG 3.25Å; A158-L162 WeakPolarHBondContact O-CG 3.47Å; A158-L162 PolarHBondContact O-N 3.47Å
159L93.1Very high84.9Confident51 Ų5145.4 Ų45.427%0.26725%0.251SS..Hα-helixtrans-62.8-45.6173.9-66.8174.3000111.8S155 S156 R157 N161 L162 H163 Q220 K227 L229S155-L159 PolarHBondContact O-N 2.95Å; S156-L159 PolarHBondContact O-N 3.2Å; R157-L159 VanDerWaalsContact C-N 3.29Å; R157-L159 PolarHBondContact O-N 2.96Å; L159-N161 VanDerWaalsContact C-N 3.35Å; L159-N161 PolarHBondContact O-N 2.87Å; L159-L162 PolarHBondContact O-N 3.17Å; L159-H163 WeakPolarHBondContact O-CB 3.21Å; L159-H163 PolarHBondContact O-N 2.59Å; L159-Q220 HydrophobicContact CD1-CG 4.4Å; L159-Q220 VanDerWaalsContact CD1-NE2 3.29Å; L159-K227 HydrophobicContact CD1-CB 3.98Å; L159-L229 HydrophobicContact CB-CD1 3.98Å; L159-L229 HydrophobicContact CB-CD2 4.3Å; L159-L229 HydrophobicContact CB-CG 4.07Å
160M94.6Very high85.8Confident0 Ų040.2 Ų40.20%023%0.233CC..Hα-helixtrans-59.3-46.3177.9-176.3-160.575.100111S156 R157 H163 N164 L229 V245 L247S156-M160 WeakPolarHBondContact O-CB 3.33Å; S156-M160 PolarHBondContact O-N 3.39Å; R157-M160 HydrophobicContact CG-CE 4.39Å; R157-M160 WeakPolarHBondContact O-CB 3.21Å; R157-M160 PolarHBondContact O-N 3.37Å; M160-H163 PolarHBondContact O-N 2.94Å; M160-N164 WeakPolarHBondContact O-CB 3.45Å; M160-N164 VanDerWaalsContact O-CG 3.3Å; M160-N164 PolarHBondContact O-N 2.86Å; M160-N164 PolarHBondContact O-ND2 2.79Å; M160-N164 VanDerWaalsContact O-ND2 3.12Å; M160-L229 HydrophobicContact CB-CD1 4.27Å; M160-V245 HydrophobicContact CG-CG2 4.02Å; M160-V245 WeakPolarHBondContact CG-O 3.44Å; M160-L247 HydrophobicContact CB-CD1 4.1Å; M160-L247 HydrophobicContact CB-CG 4.27Å; M160-L247 HydrophobicContact CG-CD1 4.48Å; M160-L247 HydrophobicContact CG-CG 4.29Å; M160-L247 HydrophobicContact SD-CB 4.33Å; M160-L247 HydrophobicContact SD-CD1 3.82Å; M160-L247 HydrophobicContact SD-CG 3.68Å
161N93.2Very high87.2Confident0 Ų039.3 Ų39.30%022%0.223CC..Hα-helixtrans-64.7-45.3-179-62-16.7000111.8Y87 E148 R157 A158 L159 H163 N164 N165Y87-N161 HydrophobicContact CD1-CB 4.09Å; Y87-N161 HydrophobicContact CD2-CB 4.27Å; Y87-N161 WeakPolarHBondContact CD2-OD1 3.1Å; Y87-N161 HydrophobicContact CE1-CB 3.83Å; Y87-N161 HydrophobicContact CE2-CB 4.02Å; Y87-N161 WeakPolarHBondContact CE2-OD1 3.38Å; Y87-N161 HydrophobicContact CG-CB 4.3Å; Y87-N161 VanDerWaalsContact CZ-ND2 3.29Å; Y87-N161 PolarHBondContact OH-ND2 3.45Å; E148-N161 VanDerWaalsContact CD-ND2 3.27Å; E148-N161 HydrophobicContact CG-CB 3.81Å; E148-N161 PolarHBondContact OE1-ND2 3.49Å; E148-N161 PolarHBondContact OE2-ND2 2.93Å; R157-N161 PolarHBondContact NH1-ND2 1.99Å; R157-N161 VanDerWaalsContact NH1-ND2 3.13Å; R157-N161 WeakPolarHBondContact O-CB 3.13Å; R157-N161 PolarHBondContact O-N 2.7Å; R157-N161 PolarHBondContact O-ND2 3.5Å; R157-N161 PolarHBondContact O-OD1 3.42Å; A158-N161 PolarHBondContact O-N 2.78Å; L159-N161 VanDerWaalsContact C-N 3.35Å; L159-N161 PolarHBondContact O-N 2.87Å; N161-H163 VanDerWaalsContact C-N 3.33Å; N161-H163 PolarHBondContact O-N 2.87Å; N161-N164 PolarHBondContact O-N 3.41Å; N161-N165 WeakPolarHBondContact O-CB 3.12Å; N161-N165 PolarHBondContact O-N 2.93Å; N161-N165 PolarHBondContact O-OD1 2.67Å
162L94.7Very high89.3Confident43 Ų4329.8 Ų29.823%0.22518%0.181CC..Hα-helixtrans-61.8-41.8176.6-72.8170.9000111.9D145 E148 A158 L159 E166D145-L162 HydrophobicContact CB-CD2 3.51Å; E148-L162 HydrophobicContact CB-CD1 4.29Å; E148-L162 HydrophobicContact CB-CD2 3.93Å; E148-L162 HydrophobicContact CB-CG 3.82Å; E148-L162 HydrophobicContact CG-CG 4.48Å; A158-L162 WeakPolarHBondContact O-CB 3.42Å; A158-L162 VanDerWaalsContact O-CG 3.25Å; A158-L162 WeakPolarHBondContact O-CG 3.47Å; A158-L162 PolarHBondContact O-N 3.47Å; L159-L162 PolarHBondContact O-N 3.17Å; L162-E166 PolarHBondContact O-N 2.75Å; L162-E166 VanDerWaalsContact O-N 3.14Å
163H97.1Very high91.3Very high36 Ų3628.7 Ų28.717%0.16715%0.154CC..Hα-helixtrans-60-53.5175.3-178.589.2000111.4L159 M160 N161 N165 E166 A167 H239 T240 D243 V245L159-H163 WeakPolarHBondContact O-CB 3.21Å; L159-H163 PolarHBondContact O-N 2.59Å; M160-H163 PolarHBondContact O-N 2.94Å; N161-H163 VanDerWaalsContact C-N 3.33Å; N161-H163 PolarHBondContact O-N 2.87Å; H163-N165 VanDerWaalsContact C-N 3.35Å; H163-N165 PolarHBondContact O-N 2.84Å; H163-E166 WeakPolarHBondContact O-CB 3.25Å; H163-E166 PolarHBondContact O-N 3.34Å; H163-E166 VanDerWaalsContact O-N 3.09Å; H163-A167 PolarHBondContact O-N 3.02Å; H163-H239 AromaticContact CE1-CD2 3.4Å; H163-H239 PolarHBondContact CE1-CD2 3.07Å; H163-H239 VanDerWaalsContact CE1-CD2 3.4Å; H163-H239 AromaticContact CE1-NE2 3.93Å; H163-H239 AromaticContact NE2-CD2 3.87Å; H163-T240 PolarHBondContact CE1-O 3.24Å; H163-T240 PolarHBondContact NE2-O 2.93Å; H163-D243 PolarHBondContact CD2-O 2.67Å; H163-D243 PolarHBondContact NE2-O 2.03Å; H163-V245 HydrophobicContact CB-CG2 4.21Å
164N97.8Very high93.3Very high0 Ų027.2 Ų27.20%015%0.154CC..Hα-helixtrans-65.8-36.2-177.7-68.7-34.1000112.5A84 A88 M160 N161 E166 A167 G168 L244 V245A84-N164 WeakPolarHBondContact CA-ND2 3.3Å; A84-N164 WeakPolarHBondContact CB-ND2 3.42Å; A88-N164 VanDerWaalsContact CA-O 3.24Å; A88-N164 WeakPolarHBondContact CA-O 3.5Å; A88-N164 VanDerWaalsContact CB-O 3.28Å; A88-N164 WeakPolarHBondContact CB-O 3.45Å; M160-N164 WeakPolarHBondContact O-CB 3.45Å; M160-N164 VanDerWaalsContact O-CG 3.3Å; M160-N164 PolarHBondContact O-N 2.86Å; M160-N164 PolarHBondContact O-ND2 2.79Å; M160-N164 VanDerWaalsContact O-ND2 3.12Å; N161-N164 PolarHBondContact O-N 3.41Å; N164-E166 VanDerWaalsContact C-N 3.28Å; N164-E166 PolarHBondContact O-N 2.8Å; N164-A167 PolarHBondContact O-N 3.02Å; N164-G168 PolarHBondContact O-N 2.74Å; N164-L244 HydrophobicContact CB-CD2 4.18Å; N164-L244 WeakPolarHBondContact OD1-CA 3.49Å; N164-V245 PolarHBondContact ND2-O 3.01Å; N164-V245 PolarHBondContact OD1-N 3.4Å; N164-V245 PolarHBondContact OD1-O 3.26Å
165N97.4Very high95.1Very high0 Ų026.8 Ų26.80%014%0.144CC..Hα-helixtrans-57.9-43.5171.8-74.8-8.4000111.4Y87 A91 D145 N161 H163 G168 R169Y87-N165 WeakPolarHBondContact CB-OD1 3.47Å; Y87-N165 VanDerWaalsContact CD1-OD1 3.27Å; Y87-N165 WeakPolarHBondContact CD1-OD1 3.49Å; Y87-N165 PolarHBondContact O-OD1 3.2Å; A91-N165 HydrophobicContact CB-CB 3.72Å; A91-N165 WeakPolarHBondContact CB-O 3.44Å; D145-N165 PolarHBondContact OD1-ND2 2.82Å; N161-N165 WeakPolarHBondContact O-CB 3.12Å; N161-N165 PolarHBondContact O-N 2.93Å; N161-N165 PolarHBondContact O-OD1 2.67Å; H163-N165 VanDerWaalsContact C-N 3.35Å; H163-N165 PolarHBondContact O-N 2.84Å; N165-G168 PolarHBondContact O-N 2.65Å; N165-R169 WeakPolarHBondContact O-CG 3.49Å; N165-R169 PolarHBondContact O-N 3.43Å; N165-R169 VanDerWaalsContact O-N 3.12Å
166E98.3Very high95.9Very high42 Ų4227 Ų2720%0.19614%0.141CC..Hα-helixtrans-69.1-43.4179.3-171.757.8-159.200112.1Q141 L162 H163 N164 G168 R169 K170Q141-E166 PolarHBondContact NE2-OE2 3.11Å; L162-E166 PolarHBondContact O-N 2.75Å; L162-E166 VanDerWaalsContact O-N 3.14Å; H163-E166 WeakPolarHBondContact O-CB 3.25Å; H163-E166 PolarHBondContact O-N 3.34Å; H163-E166 VanDerWaalsContact O-N 3.09Å; N164-E166 VanDerWaalsContact C-N 3.28Å; N164-E166 PolarHBondContact O-N 2.8Å; E166-G168 VanDerWaalsContact C-N 3.25Å; E166-G168 PolarHBondContact O-N 3.35Å; E166-R169 PolarHBondContact O-N 3.01Å; E166-R169 VanDerWaalsContact O-N 3.08Å; E166-R169 IonicContact OE2-CZ 3.16Å; E166-R169 IonicContact OE2-NE 3.02Å; E166-R169 PolarHBondContact OE2-NE 3.07Å; E166-R169 IonicContact OE2-NH2 3.42Å; E166-R169 PolarHBondContact OE2-NH2 2.85Å; E166-K170 HydrophobicContact CG-CD 4.39Å; E166-K170 WeakPolarHBondContact O-CG 2.98Å; E166-K170 PolarHBondContact O-N 2.83Å; E166-K170 WeakPolarHBondContact OE1-CE 2.96Å
167A98.6Very high96.2Very high4 Ų430.4 Ų30.43%0.03315%0.148CC..Hα-helixtrans-55.8-41.5173.200000111.7H163 N164 K170 A171 D241 L244H163-A167 PolarHBondContact O-N 3.02Å; N164-A167 PolarHBondContact O-N 3.02Å; A167-K170 PolarHBondContact O-N 3.26Å; A167-A171 PolarHBondContact O-N 2.85Å; A167-D241 WeakPolarHBondContact CA-O 3.41Å; A167-D241 WeakPolarHBondContact CB-O 3.49Å; A167-L244 HydrophobicContact CB-CD2 3.89Å
168G98.5Very high96.5Very high0 Ų031 Ų310%016%0.158CC..Hα-helixtrans-61.5-43.5174.100000113.6A88 A92 N164 N165 E166 A171A88-G168 WeakPolarHBondContact O-CA 3.37Å; A92-G168 VanDerWaalsContact CB-O 3.24Å; A92-G168 WeakPolarHBondContact CB-O 3.5Å; N164-G168 PolarHBondContact O-N 2.74Å; N165-G168 PolarHBondContact O-N 2.65Å; E166-G168 VanDerWaalsContact C-N 3.25Å; E166-G168 PolarHBondContact O-N 3.35Å; G168-A171 WeakPolarHBondContact O-CB 3.48Å; G168-A171 PolarHBondContact O-N 3.29Å
169R98.7Very high96.7Very high2 Ų233.6 Ų33.61%0.00817%0.17CC..Hα-helixtrans-65.5-38.6175.9-71.7-179.3-65.9-113.13.3111.8A91 A95 V137 D145 N165 E166 A171 I172 L173A91-R169 HydrophobicContact CB-CG 4.26Å; A95-R169 HydrophobicContact CB-CG 4.4Å; V137-R169 HydrophobicContact CG1-CB 4.48Å; V137-R169 HydrophobicContact CG2-CB 4.1Å; V137-R169 HydrophobicContact CG2-CG 4.4Å; D145-R169 IonicContact OD1-CZ 3.87Å; D145-R169 IonicContact OD1-NH1 3.07Å; D145-R169 PolarHBondContact OD1-NH1 3.34Å; D145-R169 IonicContact OD1-NH2 2.78Å; D145-R169 IonicContact OD2-CZ 2.7Å; D145-R169 IonicContact OD2-NH1 2.8Å; D145-R169 PolarHBondContact OD2-NH1 3.5Å; D145-R169 IonicContact OD2-NH2 3.39Å; D145-R169 PolarHBondContact OD2-NH2 3.46Å; N165-R169 WeakPolarHBondContact O-CG 3.49Å; N165-R169 PolarHBondContact O-N 3.43Å; N165-R169 VanDerWaalsContact O-N 3.12Å; E166-R169 PolarHBondContact O-N 3.01Å; E166-R169 VanDerWaalsContact O-N 3.08Å; E166-R169 IonicContact OE2-CZ 3.16Å; E166-R169 IonicContact OE2-NE 3.02Å; E166-R169 PolarHBondContact OE2-NE 3.07Å; E166-R169 IonicContact OE2-NH2 3.42Å; E166-R169 PolarHBondContact OE2-NH2 2.85Å; R169-A171 VanDerWaalsContact C-N 3.34Å; R169-A171 PolarHBondContact O-N 3.35Å; R169-I172 PolarHBondContact O-N 3.46Å; R169-L173 PolarHBondContact O-N 2.91Å
170K98.4Very high96.8Very high42 Ų4234 Ų3418%0.18318%0.176CC..Hα-helixtrans-65.7-33.1175.3-74.6-177.8174.4172.70113.5E166 A167 I172 L173 S174 D241 E242E166-K170 HydrophobicContact CG-CD 4.39Å; E166-K170 WeakPolarHBondContact O-CG 2.98Å; E166-K170 PolarHBondContact O-N 2.83Å; E166-K170 WeakPolarHBondContact OE1-CE 2.96Å; A167-K170 PolarHBondContact O-N 3.26Å; K170-I172 PolarHBondContact O-N 3.02Å; K170-L173 PolarHBondContact O-N 3.09Å; K170-L173 VanDerWaalsContact O-N 3.14Å; K170-S174 WeakPolarHBondContact O-CB 3.34Å; K170-S174 PolarHBondContact O-N 3.31Å; K170-S174 PolarHBondContact O-OG 3.46Å; K170-D241 HydrophobicContact CD-CB 4.27Å; K170-D241 IonicContact NZ-OD2 2.56Å; K170-D241 PolarHBondContact NZ-OD2 3.5Å; K170-E242 HydrophobicContact CB-CG 4.23Å; K170-E242 HydrophobicContact CD-CG 4.3Å
171A98.4Very high96.7Very high8 Ų839.9 Ų39.97%0.06620%0.202CC..Hα-helixtrans-56-25173.500000113A167 G168 R169 H175 V204 I207 I208A167-A171 PolarHBondContact O-N 2.85Å; G168-A171 WeakPolarHBondContact O-CB 3.48Å; G168-A171 PolarHBondContact O-N 3.29Å; R169-A171 VanDerWaalsContact C-N 3.34Å; R169-A171 PolarHBondContact O-N 3.35Å; A171-H175 WeakPolarHBondContact O-CB 3.28Å; A171-H175 PolarHBondContact O-ND1 3.18Å; A171-H175 VanDerWaalsContact O-ND1 3.11Å; A171-V204 HydrophobicContact CB-CG1 4.18Å; A171-I207 HydrophobicContact CB-CG2 4.06Å; A171-I208 HydrophobicContact CB-CD1 4.11Å; A171-I208 HydrophobicContact CB-CG1 3.71Å
172I98.4Very high96.8Very high0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-88.4-52.5171.7-52.3172.7000110.9A92 A95 F96 I133 R169 K170 S174 H175 M176 M198 V204A92-I172 HydrophobicContact CB-CD1 4.01Å; A92-I172 HydrophobicContact CB-CG1 4.45Å; A92-I172 WeakPolarHBondContact O-CD1 3.5Å; A95-I172 HydrophobicContact CB-CD1 4.47Å; F96-I172 HydrophobicContact CB-CD1 3.86Å; F96-I172 HydrophobicContact CD2-CD1 4.44Å; I133-I172 HydrophobicContact CD1-CB 4.22Å; I133-I172 HydrophobicContact CD1-CD1 4.45Å; I133-I172 HydrophobicContact CD1-CG2 3.63Å; I133-I172 HydrophobicContact CG1-CB 4.47Å; I133-I172 HydrophobicContact CG1-CG2 3.88Å; R169-I172 PolarHBondContact O-N 3.46Å; K170-I172 PolarHBondContact O-N 3.02Å; I172-S174 PolarHBondContact O-N 3.18Å; I172-H175 CarbonylContact O-C 3.53Å; I172-H175 PolarHBondContact O-N 3.06Å; I172-H175 VanDerWaalsContact O-N 3.08Å; I172-M176 HydrophobicContact CG2-SD 4.35Å; I172-M176 PolarHBondContact O-N 3.17Å; I172-M176 VanDerWaalsContact O-N 3.17Å; I172-M198 HydrophobicContact CG2-CB 4.3Å; I172-M198 HydrophobicContact CG2-CG 3.9Å; I172-M198 HydrophobicContact CG2-SD 4.11Å; I172-V204 HydrophobicContact CG1-CG1 3.84Å; I172-V204 HydrophobicContact CG1-CG2 3.97Å
173L96.9Very high96.5Very high64 Ų6444.4 Ų44.434%0.33523%0.226SC..Hα-helixtrans-55.6-48.1-175.6-74167.6000112.7I133 V137 R169 K170 H175 M176I133-L173 HydrophobicContact CB-CD2 4.23Å; I133-L173 HydrophobicContact CG1-CD2 3.7Å; I133-L173 HydrophobicContact CG1-CG 4.18Å; I133-L173 HydrophobicContact CG2-CD2 3.57Å; V137-L173 HydrophobicContact CG1-CD1 4.3Å; V137-L173 HydrophobicContact CG2-CD1 3.96Å; V137-L173 HydrophobicContact CG2-CD2 4.21Å; V137-L173 HydrophobicContact CG2-CG 4.01Å; R169-L173 PolarHBondContact O-N 2.91Å; K170-L173 PolarHBondContact O-N 3.09Å; K170-L173 VanDerWaalsContact O-N 3.14Å; L173-H175 PolarHBondContact O-N 3.22Å; L173-M176 WeakPolarHBondContact O-CG 3.25Å
174S96.9Very high96.1Very high64 Ų6443.5 Ų43.545%0.44823%0.227SC..THydrogen-bonded Turntrans-72.5-11.4-177.9-53.70000113.1K170 I172 E242K170-S174 WeakPolarHBondContact O-CB 3.34Å; K170-S174 PolarHBondContact O-N 3.31Å; K170-S174 PolarHBondContact O-OG 3.46Å; I172-S174 PolarHBondContact O-N 3.18Å; S174-E242 WeakPolarHBondContact CB-OE1 3.44Å; S174-E242 PolarHBondContact OG-OE1 2.97Å
175H97.5Very high95.9Very high62 Ų6249.4 Ų49.429%0.28726%0.262SS..THydrogen-bonded Turntrans-123.118.8-174.1-62.286.6000113.5A171 I172 L173 P199 I207A171-H175 WeakPolarHBondContact O-CB 3.28Å; A171-H175 PolarHBondContact O-ND1 3.18Å; A171-H175 VanDerWaalsContact O-ND1 3.11Å; I172-H175 CarbonylContact O-C 3.53Å; I172-H175 PolarHBondContact O-N 3.06Å; I172-H175 VanDerWaalsContact O-N 3.08Å; L173-H175 PolarHBondContact O-N 3.22Å; H175-P199 HydrophobicContact CB-CG 4.29Å; H175-P199 WeakPolarHBondContact O-CD 3.42Å; H175-I207 HydrophobicContact CB-CD1 4.17Å
176M96.7Very high95.4Very high45 Ų4555.8 Ų55.822%0.22231%0.307CS..  trans-55.5138.3167.5-67.7-65.9-70.300109.8D131 I133 I172 L173 K196 M198D131-M176 HydrophobicContact CB-CE 3.98Å; I133-M176 HydrophobicContact CB-CE 4.35Å; I133-M176 HydrophobicContact CB-SD 4.06Å; I133-M176 HydrophobicContact CG1-SD 4.46Å; I133-M176 HydrophobicContact CG2-CE 3.96Å; I133-M176 HydrophobicContact CG2-CG 4.12Å; I133-M176 HydrophobicContact CG2-SD 3.82Å; I172-M176 HydrophobicContact CG2-SD 4.35Å; I172-M176 PolarHBondContact O-N 3.17Å; I172-M176 VanDerWaalsContact O-N 3.17Å; L173-M176 WeakPolarHBondContact O-CG 3.25Å; M176-K196 HydrophobicContact CE-CB 4.21Å; M176-M198 HydrophobicContact CE-CG 4.15Å; M176-M198 HydrophobicContact SD-CB 4.21Å; M176-M198 HydrophobicContact SD-CG 3.65Å
177R95.8Very high94.8Very high111 Ų11156.5 Ų56.542%0.41933%0.326SS..EExtended strand (participates in β ladder)trans-116152.7-177.960.1177.2-176.3178.64.5111.3E179 K196 A197R177-E179 HydrophobicContact CG-CG 4.26Å; R177-E179 IonicContact CZ-OE1 2.94Å; R177-E179 IonicContact NE-OE1 2.7Å; R177-E179 PolarHBondContact NE-OE1 3.37Å; R177-E179 IonicContact NH2-OE1 2.61Å; R177-E179 PolarHBondContact NH2-OE1 2.98Å; R177-K196 CarbonylContact O-C 3.44Å; R177-K196 WeakPolarHBondContact O-CA 3.39Å; R177-A197 HydrophobicContact CG-CB 4.29Å; R177-A197 WeakPolarHBondContact CG-O 3.24Å; R177-A197 PolarHBondContact N-O 2.96Å; R177-A197 PolarHBondContact O-N 3.37Å
178V95.3Very high94.4Very high74 Ų7458.1 Ų58.145%0.44834%0.336SS..EExtended strand (participates in β ladder)trans-88.3119.2167.1-1780000107.6F124 W126 C194 W195F124-V178 HydrophobicContact CE1-CG1 4.47Å; F124-V178 HydrophobicContact CE2-CG1 4.2Å; F124-V178 HydrophobicContact CZ-CG1 3.83Å; W126-V178 HydrophobicContact CH2-CG1 4.15Å; W126-V178 HydrophobicContact CH2-CG2 3.8Å; W126-V178 HydrophobicContact CZ3-CG1 4.13Å; W126-V178 HydrophobicContact CZ3-CG2 4.35Å; V178-C194 HydrophobicContact CG1-CB 3.57Å; V178-W195 WeakPolarHBondContact CA-O 3.14Å
179E95Very high94.1Very high57 Ų5761.8 Ų61.827%0.26636%0.362SS..EExtended strand (participates in β ladder)trans-105.5141.8170.7-75-177.7-153.100109.4R177 C194 W195 A197R177-E179 HydrophobicContact CG-CG 4.26Å; R177-E179 IonicContact CZ-OE1 2.94Å; R177-E179 IonicContact NE-OE1 2.7Å; R177-E179 PolarHBondContact NE-OE1 3.37Å; R177-E179 IonicContact NH2-OE1 2.61Å; R177-E179 PolarHBondContact NH2-OE1 2.98Å; E179-C194 CarbonylContact O-C 3.58Å; E179-C194 WeakPolarHBondContact O-CA 3.45Å; E179-C194 WeakPolarHBondContact O-CB 3.4Å; E179-W195 HydrophobicContact CB-CD2 4.42Å; E179-W195 HydrophobicContact CB-CZ2 3.98Å; E179-W195 PolarHBondContact N-O 2.76Å; E179-W195 PolarHBondContact O-N 2.96Å; E179-A197 HydrophobicContact CB-CB 4.43Å; E179-A197 HydrophobicContact CG-CB 3.95Å; E179-A197 VanDerWaalsContact OE1-CB 3.24Å; E179-A197 WeakPolarHBondContact OE1-CB 3.33Å
180C94.3Very high93.6Very high59 Ų5969.8 Ų69.840%0.39940%0.399SS..EExtended strand (participates in β ladder)trans-130146.1-175.5-59.50000111.3K192 T193 C194C180-K192 HydrophobicContact CB-CD 4.41Å; C180-T193 CarbonylContact C-O 3.59Å; C180-T193 VanDerWaalsContact CA-O 3.3Å; C180-T193 WeakPolarHBondContact CA-O 3.47Å; C180-C194 HydrophobicContact CB-CB 4.02Å; C180-C194 WeakPolarHBondContact CB-SG 3.34Å; C180-C194 WeakPolarHBondContact SG-CB 3.31Å; C180-C194 CovalentContact SG-SG 2.03Å; C180-C194 PolarHBondContact SG-SG 2.86Å
181K93.7Very high93.1Very high125 Ų12572.2 Ų72.254%0.54342%0.417SS..EExtended strand (participates in β ladder)trans-114.4131.8166.7-173.8176177.3-176.40109.5K192 T193 W195K181-K192 CarbonylContact O-C 3.59Å; K181-K192 VanDerWaalsContact O-CA 3.24Å; K181-K192 WeakPolarHBondContact O-CA 3.18Å; K181-K192 WeakPolarHBondContact O-CB 3.48Å; K181-T193 PolarHBondContact N-O 3.41Å; K181-T193 PolarHBondContact O-N 3.43Å; K181-W195 HydrophobicContact CB-CH2 3.98Å; K181-W195 HydrophobicContact CB-CZ3 3.91Å
182C93.4Very high92.8Very high41 Ų4175.7 Ų75.728%0.27743%0.431SS..EExtended strand (participates in β ladder)trans-91.7140176.1-61.50000110.7S188 C189C182-S188 WeakPolarHBondContact CB-O 3.45Å; C182-C189 HydrophobicContact CB-CB 3.83Å; C182-C189 WeakPolarHBondContact CB-SG 3.33Å; C182-C189 WeakPolarHBondContact SG-CB 3.48Å; C182-C189 CovalentContact SG-SG 2.03Å; C182-C189 PolarHBondContact SG-SG 2.91Å
183H90Very high92.5Very high96 Ų9677 Ų7744%0.44444%0.438SS..  trans-122.89.9-173.2-57.9-75.5000113.8V191 T193H183-V191 PolarHBondContact N-O 3.44Å; H183-T193 PolarHBondContact NE2-OG1 2.85Å
184G89.1Confident92.5Very high18 Ų1873.9 Ų73.919%0.18642%0.423CS..SBendtrans-78.9165.6-179.400000113.8S186 G187 S188G184-S186 PolarHBondContact O-N 2.87Å; G184-G187 PolarHBondContact O-N 3.26Å; G184-S188 WeakPolarHBondContact CA-O 3.21Å; G184-S188 VanDerWaalsContact CA-OG 3.24Å; G184-S188 WeakPolarHBondContact CA-OG 3.25Å; G184-S188 PolarHBondContact N-O 3.45Å; G184-S188 PolarHBondContact O-N 3.07Å
185V92.6Very high92.5Very high123 Ų12373.7 Ų73.775%0.74541%0.412SS*.G310 helixtrans-55.6134.7-178.4-177.10000109.9G187 S188V185-G187 PolarHBondContact O-N 2.74Å; V185-G187 VanDerWaalsContact O-N 3.11Å; V185-S188 PolarHBondContact N-OG 2.95Å; V185-S188 WeakPolarHBondContact O-CB 3.29Å; V185-S188 PolarHBondContact O-N 3.38Å; V185-S188 VanDerWaalsContact O-N 3.1Å; V185-S188 PolarHBondContact O-OG 2.71Å
186S87.7Confident92.4Very high135 Ų13574.7 Ų74.794%0.94442%0.415SS*.G310 helixtrans56.224.8-177.7-56.40000114.7G184G184-S186 PolarHBondContact O-N 2.87Å
187G84.9Confident92.5Very high57 Ų5772.7 Ų72.759%0.58841%0.406SS*.G310 helixtrans85.815-179.700000114.5G184 V185G184-G187 PolarHBondContact O-N 3.26Å; V185-G187 PolarHBondContact O-N 2.74Å; V185-G187 VanDerWaalsContact O-N 3.11Å
188S90.9Very high92.6Very high37 Ų3767.4 Ų67.426%0.25939%0.386SS..  trans-63.7152.8173.477.40000111.7C182 G184 V185C182-S188 WeakPolarHBondContact CB-O 3.45Å; G184-S188 WeakPolarHBondContact CA-O 3.21Å; G184-S188 VanDerWaalsContact CA-OG 3.24Å; G184-S188 WeakPolarHBondContact CA-OG 3.25Å; G184-S188 PolarHBondContact N-O 3.45Å; G184-S188 PolarHBondContact O-N 3.07Å; V185-S188 PolarHBondContact N-OG 2.95Å; V185-S188 WeakPolarHBondContact O-CB 3.29Å; V185-S188 PolarHBondContact O-N 3.38Å; V185-S188 VanDerWaalsContact O-N 3.1Å; V185-S188 PolarHBondContact O-OG 2.71Å
189C90.9Very high92.7Very high78 Ų7864 Ų6453%0.52737%0.365SS..  trans-103.524-176.9-67.60000113.5C182 V191C182-C189 HydrophobicContact CB-CB 3.83Å; C182-C189 WeakPolarHBondContact CB-SG 3.33Å; C182-C189 WeakPolarHBondContact SG-CB 3.48Å; C182-C189 CovalentContact SG-SG 2.03Å; C182-C189 PolarHBondContact SG-SG 2.91Å; C189-V191 PolarHBondContact O-N 2.93Å
190E88.2Confident92.8Very high169 Ų16964.2 Ų64.279%0.7937%0.372SS*.SBendtrans-58-38.7176.4-67.8173.3-176.600111.7
191V89Confident93Very high93 Ų9362 Ų6256%0.56436%0.355SS*.SBendtrans-118.6127.5167.9-177.80000108.1H183 C189H183-V191 PolarHBondContact N-O 3.44Å; C189-V191 PolarHBondContact O-N 2.93Å
192K91.9Very high93.3Very high81 Ų8161 Ų6135%0.35235%0.348SS..EExtended strand (participates in β ladder)trans-135.9144.4174.672.5-174-178.1-174.20110.9F124 Q125 C180 K181F124-K192 HydrophobicContact CB-CD 4.27Å; F124-K192 HydrophobicContact CB-CG 3.73Å; Q125-K192 PolarHBondContact N-O 3.46Å; C180-K192 HydrophobicContact CB-CD 4.41Å; K181-K192 CarbonylContact O-C 3.59Å; K181-K192 VanDerWaalsContact O-CA 3.24Å; K181-K192 WeakPolarHBondContact O-CA 3.18Å; K181-K192 WeakPolarHBondContact O-CB 3.48Å
193T92.6Very high93.5Very high27 Ų2764.3 Ų64.317%0.16636%0.358CS..EExtended strand (participates in β ladder)trans-112.7140.2170.658.20000109.7Q125 C180 K181 H183Q125-T193 CarbonylContact O-C 3.55Å; Q125-T193 VanDerWaalsContact O-CA 3.23Å; Q125-T193 WeakPolarHBondContact O-CA 3.19Å; C180-T193 CarbonylContact C-O 3.59Å; C180-T193 VanDerWaalsContact CA-O 3.3Å; C180-T193 WeakPolarHBondContact CA-O 3.47Å; K181-T193 PolarHBondContact N-O 3.41Å; K181-T193 PolarHBondContact O-N 3.43Å; H183-T193 PolarHBondContact NE2-OG1 2.85Å
194C96.1Very high93.9Very high0 Ų059.7 Ų59.70%034%0.337CS..EExtended strand (participates in β ladder)trans-129.5157.1-178.7-470000112.6F124 Q125 W126 S127 V178 E179 C180F124-C194 HydrophobicContact CD2-CB 3.51Å; F124-C194 WeakPolarHBondContact CD2-SG 3.5Å; F124-C194 HydrophobicContact CE2-CB 3.52Å; F124-C194 HydrophobicContact CG-CB 4.26Å; F124-C194 WeakPolarHBondContact CG-SG 3.27Å; F124-C194 HydrophobicContact CZ-CB 4.28Å; Q125-C194 PolarHBondContact O-N 3.44Å; W126-C194 WeakPolarHBondContact CA-O 3.24Å; S127-C194 PolarHBondContact N-O 3.49Å; S127-C194 CarbonylContact O-C 3.51Å; V178-C194 HydrophobicContact CG1-CB 3.57Å; E179-C194 CarbonylContact O-C 3.58Å; E179-C194 WeakPolarHBondContact O-CA 3.45Å; E179-C194 WeakPolarHBondContact O-CB 3.4Å; C180-C194 HydrophobicContact CB-CB 4.02Å; C180-C194 WeakPolarHBondContact CB-SG 3.34Å; C180-C194 WeakPolarHBondContact SG-CB 3.31Å; C180-C194 CovalentContact SG-SG 2.03Å; C180-C194 PolarHBondContact SG-SG 2.86Å
195W96.3Very high94.4Very high60 Ų6058.9 Ų58.923%0.22733%0.328CS..EExtended strand (participates in β ladder)trans-136.4159.2174.654.897.2000110.1S127 V178 E179 K181S127-W195 WeakPolarHBondContact O-CB 3.47Å; V178-W195 WeakPolarHBondContact CA-O 3.14Å; E179-W195 HydrophobicContact CB-CD2 4.42Å; E179-W195 HydrophobicContact CB-CZ2 3.98Å; E179-W195 PolarHBondContact N-O 2.76Å; E179-W195 PolarHBondContact O-N 2.96Å; K181-W195 HydrophobicContact CB-CH2 3.98Å; K181-W195 HydrophobicContact CB-CZ3 3.91Å
196K96.6Very high94.7Very high82 Ų8256.7 Ų56.736%0.35731%0.312SS..EExtended strand (participates in β ladder)trans-81.6129169.6-69.1-167.4-178.5176.70109.6V116 W126 S130 D131 M176 R177V116-K196 HydrophobicContact CG2-CD 4.12Å; W126-K196 HydrophobicContact CH2-CG 4.14Å; W126-K196 HydrophobicContact CZ3-CG 3.96Å; S130-K196 CarbonylContact C-O 3.55Å; S130-K196 VanDerWaalsContact CA-O 3.27Å; S130-K196 WeakPolarHBondContact CA-O 3.28Å; S130-K196 PolarHBondContact OG-N 2.86Å; D131-K196 PolarHBondContact N-O 2.89Å; M176-K196 HydrophobicContact CE-CB 4.21Å; R177-K196 CarbonylContact O-C 3.44Å; R177-K196 WeakPolarHBondContact O-CA 3.39Å
197A97.4Very high95.2Very high3 Ų351.3 Ų51.33%0.02527%0.273CS..EExtended strand (participates in β ladder)trans-126.4143.9178.800000110.7D131 R177 E179D131-A197 WeakPolarHBondContact OD2-CA 3.36Å; R177-A197 HydrophobicContact CG-CB 4.29Å; R177-A197 WeakPolarHBondContact CG-O 3.24Å; R177-A197 PolarHBondContact N-O 2.96Å; R177-A197 PolarHBondContact O-N 3.37Å; E179-A197 HydrophobicContact CB-CB 4.43Å; E179-A197 HydrophobicContact CG-CB 3.95Å; E179-A197 VanDerWaalsContact OE1-CB 3.24Å; E179-A197 WeakPolarHBondContact OE1-CB 3.33Å
198M98Very high95.8Very high1 Ų148.8 Ų48.81%0.00525%0.246CC..PPolyproline II helixtrans-64142.9168.1-67.6-178.4-66.100110F96 T99 R100 D131 I133 I172 M176F96-M198 HydrophobicContact CD2-CB 4.12Å; F96-M198 HydrophobicContact CD2-CE 3.91Å; F96-M198 HydrophobicContact CD2-CG 4.48Å; F96-M198 HydrophobicContact CD2-SD 3.61Å; F96-M198 HydrophobicContact CE2-CB 3.81Å; F96-M198 HydrophobicContact CE2-CE 3.99Å; F96-M198 HydrophobicContact CE2-SD 4.11Å; F96-M198 HydrophobicContact CG-CE 4.36Å; F96-M198 HydrophobicContact CG-SD 4.25Å; F96-M198 WeakPolarHBondContact O-CE 3.2Å; T99-M198 HydrophobicContact CG2-CE 3.53Å; T99-M198 HydrophobicContact CG2-CG 4.4Å; T99-M198 HydrophobicContact CG2-SD 3.61Å; R100-M198 HydrophobicContact CB-CE 4.12Å; D131-M198 HydrophobicContact CB-CE 4.49Å; D131-M198 HydrophobicContact CB-CG 4.03Å; D131-M198 PolarHBondContact OD2-N 3.26Å; I133-M198 HydrophobicContact CD1-CG 4.48Å; I133-M198 HydrophobicContact CD1-SD 3.84Å; I172-M198 HydrophobicContact CG2-CB 4.3Å; I172-M198 HydrophobicContact CG2-CG 3.9Å; I172-M198 HydrophobicContact CG2-SD 4.11Å; M176-M198 HydrophobicContact CE-CG 4.15Å; M176-M198 HydrophobicContact SD-CB 4.21Å; M176-M198 HydrophobicContact SD-CG 3.65Å
199P97.9Very high96.2Very high1 Ų147.9 Ų47.91%0.00624%0.237CC..PPolyproline II helixtrans-62.6157.1173.928.5-35.2000110.8F96 H175 F201 K203 V204F96-P199 WeakPolarHBondContact CE2-O 3.35Å; H175-P199 HydrophobicContact CB-CG 4.29Å; H175-P199 WeakPolarHBondContact O-CD 3.42Å; P199-F201 PolarHBondContact O-N 3.09Å; P199-K203 HydrophobicContact CB-CB 4.34Å; P199-K203 HydrophobicContact CB-CD 4.09Å; P199-V204 HydrophobicContact CG-CG2 3.77Å
200P98.1Very high96.5Very high62 Ų6251 Ų5140%0.40324%0.244SC..PPolyproline II helixtrans-53.8138.2170.8-23.934000110.3R202 K203 V204P200-R202 PolarHBondContact O-N 3.14Å; P200-R202 VanDerWaalsContact O-N 3.1Å; P200-K203 WeakPolarHBondContact O-CA 3.24Å; P200-K203 VanDerWaalsContact O-CB 3.3Å; P200-K203 WeakPolarHBondContact O-CB 3.47Å; P200-K203 PolarHBondContact O-N 2.97Å; P200-V204 PolarHBondContact O-N 2.87Å
201F98.4Very high97Very high13 Ų1345.7 Ų45.76%0.05722%0.218CC..Hα-helixtrans-61-29-172.5-164.2-105000113.4L47 E51 I89 A92 F96 P199 K203 V204 G205L47-F201 HydrophobicContact CD1-CB 4.24Å; L47-F201 HydrophobicContact CD1-CD1 3.56Å; L47-F201 HydrophobicContact CD1-CE1 4.19Å; L47-F201 HydrophobicContact CD1-CG 4.05Å; L47-F201 HydrophobicContact CD2-CB 4.11Å; L47-F201 HydrophobicContact CD2-CD1 3.69Å; L47-F201 HydrophobicContact CD2-CD2 3.86Å; L47-F201 HydrophobicContact CD2-CE1 4.02Å; L47-F201 HydrophobicContact CD2-CE2 4.2Å; L47-F201 HydrophobicContact CD2-CG 3.59Å; L47-F201 HydrophobicContact CD2-CZ 4.28Å; L47-F201 HydrophobicContact CG-CB 4.5Å; L47-F201 HydrophobicContact CG-CD1 3.39Å; L47-F201 HydrophobicContact CG-CD2 4.45Å; L47-F201 HydrophobicContact CG-CE1 3.59Å; L47-F201 HydrophobicContact CG-CG 3.86Å; L47-F201 HydrophobicContact CG-CZ 4.23Å; E51-F201 HydrophobicContact CB-CD1 3.96Å; E51-F201 HydrophobicContact CB-CE1 3.68Å; E51-F201 HydrophobicContact CG-CD1 3.97Å; E51-F201 HydrophobicContact CG-CE1 3.86Å; I89-F201 HydrophobicContact CD1-CE1 3.74Å; I89-F201 HydrophobicContact CD1-CZ 3.56Å; I89-F201 HydrophobicContact CG1-CE1 4.23Å; I89-F201 HydrophobicContact CG1-CZ 4.12Å; A92-F201 HydrophobicContact CB-CE2 4.46Å; F96-F201 HydrophobicContact CB-CD2 3.97Å; F96-F201 HydrophobicContact CB-CE2 4.02Å; F96-F201 HydrophobicContact CD1-CB 4.46Å; F96-F201 AromaticContact CD1-CD2 3.9Å; F96-F201 HydrophobicContact CD1-CD2 3.9Å; F96-F201 HydrophobicContact CD1-CG 4.45Å; F96-F201 AromaticContact CD2-CD2 3.88Å; F96-F201 HydrophobicContact CD2-CD2 3.88Å; F96-F201 HydrophobicContact CE1-CB 4.1Å; F96-F201 HydrophobicContact CE1-CD2 4.36Å; F96-F201 HydrophobicContact CE2-CB 4.37Å; F96-F201 HydrophobicContact CE2-CD2 4.34Å; F96-F201 AromaticContact CG-CD2 3.63Å; F96-F201 HydrophobicContact CG-CD2 3.63Å; F96-F201 HydrophobicContact CG-CE2 4.2Å; F96-F201 HydrophobicContact CZ-CB 4.05Å; P199-F201 PolarHBondContact O-N 3.09Å; F201-K203 VanDerWaalsContact C-N 3.25Å; F201-K203 PolarHBondContact O-N 3.34Å; F201-V204 HydrophobicContact CD2-CB 4.21Å; F201-V204 HydrophobicContact CD2-CG2 4.36Å; F201-V204 HydrophobicContact CE2-CB 4.39Å; F201-V204 HydrophobicContact CE2-CG1 4.26Å; F201-V204 WeakPolarHBondContact O-CA 3.27Å; F201-V204 WeakPolarHBondContact O-CB 3.28Å; F201-V204 PolarHBondContact O-N 3.33Å; F201-G205 PolarHBondContact O-N 2.97Å
202R98.4Very high97.4Very high103 Ų10341.5 Ų41.539%0.38919%0.192SC..Hα-helixtrans-55.2-38.8169.7179.753.849.773.41.6112.9E51 F54 P200 G205 N206E51-R202 VanDerWaalsContact CD-NE 3.33Å; E51-R202 VanDerWaalsContact OE1-CD 3.28Å; E51-R202 WeakPolarHBondContact OE1-CD 3.48Å; E51-R202 IonicContact OE1-NE 3.99Å; E51-R202 PolarHBondContact OE1-NE 2.92Å; E51-R202 IonicContact OE2-CZ 3.78Å; E51-R202 IonicContact OE2-NE 2.96Å; E51-R202 PolarHBondContact OE2-NE 2.04Å; E51-R202 IonicContact OE2-NH2 2.72Å; E51-R202 PolarHBondContact OE2-NH2 2.92Å; E51-R202 VanDerWaalsContact OE2-NH2 3.07Å; F54-R202 VanDerWaalsContact CD1-NE 3.29Å; F54-R202 VanDerWaalsContact CE1-CD 3.43Å; F54-R202 VanDerWaalsContact CE1-NE 3.33Å; F54-R202 VanDerWaalsContact CE2-NH1 3.31Å; P200-R202 PolarHBondContact O-N 3.14Å; P200-R202 VanDerWaalsContact O-N 3.1Å; R202-G205 PolarHBondContact O-N 3.18Å; R202-N206 PolarHBondContact O-N 3.41Å; R202-N206 PolarHBondContact O-ND2 2.87Å; R202-N206 PolarHBondContact O-OD1 3.39Å
203K98.6Very high97.6Very high111 Ų11141.3 Ų41.348%0.48320%0.195SC..Hα-helixtrans-67.2-40.2176.3-172.2177.1179.9-176.10110.7P199 P200 F201 N206 I207P199-K203 HydrophobicContact CB-CB 4.34Å; P199-K203 HydrophobicContact CB-CD 4.09Å; P200-K203 WeakPolarHBondContact O-CA 3.24Å; P200-K203 VanDerWaalsContact O-CB 3.3Å; P200-K203 WeakPolarHBondContact O-CB 3.47Å; P200-K203 PolarHBondContact O-N 2.97Å; F201-K203 VanDerWaalsContact C-N 3.25Å; F201-K203 PolarHBondContact O-N 3.34Å; K203-N206 PolarHBondContact O-N 2.98Å; K203-I207 HydrophobicContact CG-CD1 4.15Å; K203-I207 WeakPolarHBondContact O-CD1 3.45Å; K203-I207 VanDerWaalsContact O-CG1 3.28Å; K203-I207 WeakPolarHBondContact O-CG1 3.37Å; K203-I207 PolarHBondContact O-N 2.84Å
204V98.7Very high97.7Very high0 Ų042.9 Ų42.90%022%0.216CC..Hα-helixtrans-60.7-47.1173.7-176.60000110.6A92 A171 I172 P199 P200 F201 N206 I207 I208A92-V204 HydrophobicContact CB-CG1 4.22Å; A171-V204 HydrophobicContact CB-CG1 4.18Å; I172-V204 HydrophobicContact CG1-CG1 3.84Å; I172-V204 HydrophobicContact CG1-CG2 3.97Å; P199-V204 HydrophobicContact CG-CG2 3.77Å; P200-V204 PolarHBondContact O-N 2.87Å; F201-V204 HydrophobicContact CD2-CB 4.21Å; F201-V204 HydrophobicContact CD2-CG2 4.36Å; F201-V204 HydrophobicContact CE2-CB 4.39Å; F201-V204 HydrophobicContact CE2-CG1 4.26Å; F201-V204 WeakPolarHBondContact O-CA 3.27Å; F201-V204 WeakPolarHBondContact O-CB 3.28Å; F201-V204 PolarHBondContact O-N 3.33Å; V204-N206 VanDerWaalsContact C-N 3.33Å; V204-N206 PolarHBondContact O-N 3.29Å; V204-I207 PolarHBondContact O-N 2.91Å; V204-I208 HydrophobicContact CG1-CD1 3.89Å; V204-I208 HydrophobicContact CG1-CG1 4.47Å; V204-I208 WeakPolarHBondContact O-CG1 3.23Å; V204-I208 PolarHBondContact O-N 3.09Å
205G98.4Very high97.7Very high0 Ų043.3 Ų43.30%022%0.22CC..Hα-helixtrans-57.2-43.5175.100000112.9F201 R202 I208 K209F201-G205 PolarHBondContact O-N 2.97Å; R202-G205 PolarHBondContact O-N 3.18Å; G205-I208 PolarHBondContact O-N 3.25Å; G205-K209 WeakPolarHBondContact O-CB 3.16Å; G205-K209 PolarHBondContact O-N 3.46Å
206N98.7Very high97.8Very high78 Ų7841.7 Ų41.742%0.41722%0.217SC..Hα-helixtrans-62.3-43.9175.6-67.2-14000112.3Q55 R202 K203 V204 K209 E210Q55-N206 PolarHBondContact NE2-OD1 2.84Å; R202-N206 PolarHBondContact O-N 3.41Å; R202-N206 PolarHBondContact O-ND2 2.87Å; R202-N206 PolarHBondContact O-OD1 3.39Å; K203-N206 PolarHBondContact O-N 2.98Å; V204-N206 VanDerWaalsContact C-N 3.33Å; V204-N206 PolarHBondContact O-N 3.29Å; N206-K209 WeakPolarHBondContact O-CB 3.31Å; N206-K209 PolarHBondContact O-N 2.88Å; N206-E210 PolarHBondContact O-N 3.08Å
207I98.6Very high97.8Very high22 Ų2240.1 Ų40.111%0.11321%0.211CC..Hα-helixtrans-61.6-50.2178.4-68.4159.3000110.2A171 H175 K203 V204 K209 E210 K211A171-I207 HydrophobicContact CB-CG2 4.06Å; H175-I207 HydrophobicContact CB-CD1 4.17Å; K203-I207 HydrophobicContact CG-CD1 4.15Å; K203-I207 WeakPolarHBondContact O-CD1 3.45Å; K203-I207 VanDerWaalsContact O-CG1 3.28Å; K203-I207 WeakPolarHBondContact O-CG1 3.37Å; K203-I207 PolarHBondContact O-N 2.84Å; V204-I207 PolarHBondContact O-N 2.91Å; I207-K209 PolarHBondContact O-N 2.04Å; I207-E210 WeakPolarHBondContact O-CB 3.48Å; I207-E210 PolarHBondContact O-N 2.87Å; I207-K211 WeakPolarHBondContact O-CG 3.3Å; I207-K211 PolarHBondContact O-N 3.06Å
208I98.6Very high97.7Very high4 Ų440 Ų402%0.02121%0.21CC..Hα-helixtrans-64-32.6178.6-61.5173.6000110.3F85 A88 I89 A92 A171 V204 G205 K211 F212 L244F85-I208 HydrophobicContact CD2-CB 4.46Å; F85-I208 HydrophobicContact CD2-CG2 3.59Å; F85-I208 HydrophobicContact CE2-CB 4.09Å; F85-I208 HydrophobicContact CE2-CG2 3.67Å; F85-I208 HydrophobicContact CG-CG2 4.36Å; F85-I208 HydrophobicContact CZ-CG2 4.48Å; A88-I208 HydrophobicContact CB-CD1 4.43Å; A88-I208 HydrophobicContact CB-CG2 3.72Å; I89-I208 HydrophobicContact CD1-CD1 3.87Å; A92-I208 HydrophobicContact CB-CD1 3.98Å; A171-I208 HydrophobicContact CB-CD1 4.11Å; A171-I208 HydrophobicContact CB-CG1 3.71Å; V204-I208 HydrophobicContact CG1-CD1 3.89Å; V204-I208 HydrophobicContact CG1-CG1 4.47Å; V204-I208 WeakPolarHBondContact O-CG1 3.23Å; V204-I208 PolarHBondContact O-N 3.09Å; G205-I208 PolarHBondContact O-N 3.25Å; I208-K211 PolarHBondContact O-N 3.37Å; I208-F212 WeakPolarHBondContact O-CB 3.25Å; I208-F212 PolarHBondContact O-N 3.44Å; I208-L244 HydrophobicContact CG2-CD1 4.04Å
209K98.1Very high97.6Very high17 Ų1743 Ų437%0.07422%0.224CC..Hα-helixtrans-68.7-36.7177.4-179.462.9-172.567.50112.6Q55 F56 F85 G205 N206 I207 F212 D213Q55-K209 HydrophobicContact CB-CD 4.21Å; Q55-K209 HydrophobicContact CB-CG 4.45Å; Q55-K209 HydrophobicContact CG-CB 4.34Å; F56-K209 HydrophobicContact CE2-CD 4.02Å; F56-K209 HydrophobicContact CZ-CD 4.07Å; F85-K209 HydrophobicContact CE2-CB 4Å; F85-K209 HydrophobicContact CE2-CD 4.33Å; G205-K209 WeakPolarHBondContact O-CB 3.16Å; G205-K209 PolarHBondContact O-N 3.46Å; N206-K209 WeakPolarHBondContact O-CB 3.31Å; N206-K209 PolarHBondContact O-N 2.88Å; I207-K209 PolarHBondContact O-N 2.04Å; K209-F212 HydrophobicContact CD-CD1 4.21Å; K209-F212 WeakPolarHBondContact O-CB 3.49Å; K209-F212 PolarHBondContact O-N 3.33Å; K209-D213 IonicContact NZ-OD1 3.9Å; K209-D213 PolarHBondContact NZ-OD1 3.39Å; K209-D213 IonicContact NZ-OD2 2.74Å; K209-D213 PolarHBondContact NZ-OD2 3.42Å; K209-D213 PolarHBondContact O-N 3.48Å; K209-D213 VanDerWaalsContact O-N 3.11Å
210E98.1Very high97.3Very high144 Ų14446 Ų4667%0.67324%0.238SC*.Hα-helixtrans-64-46.6171.3-175-178.4172.400110.6N206 I207 F212 D213 G214N206-E210 PolarHBondContact O-N 3.08Å; I207-E210 WeakPolarHBondContact O-CB 3.48Å; I207-E210 PolarHBondContact O-N 2.87Å; E210-F212 PolarHBondContact O-N 3.3Å; E210-D213 PolarHBondContact O-N 2.96Å; E210-D213 VanDerWaalsContact O-N 3.09Å; E210-G214 PolarHBondContact O-N 3.1Å
211K98.3Very high97Very high57 Ų5749.2 Ų49.225%0.24824%0.242CC..Hα-helixtrans-61.2-31.1174-62.7-59.2-165.3169.10113I207 I208 G214 A215 E242 D243 L244I207-K211 WeakPolarHBondContact O-CG 3.3Å; I207-K211 PolarHBondContact O-N 3.06Å; I208-K211 PolarHBondContact O-N 3.37Å; K211-G214 CarbonylContact O-C 3.53Å; K211-A215 WeakPolarHBondContact O-CA 3.38Å; K211-A215 PolarHBondContact O-N 3Å; K211-E242 WeakPolarHBondContact CE-O 3.43Å; K211-D243 IonicContact NZ-OD1 3.2Å; K211-D243 PolarHBondContact NZ-OD1 3.28Å; K211-L244 HydrophobicContact CB-CD1 4.32Å; K211-L244 HydrophobicContact CB-CG 3.94Å
212F97.2Very high96.6Very high6 Ų656.3 Ų56.33%0.02627%0.273CS..Hα-helixtrans-65.9-45.4171.8165-83.4000111.9F56 R81 E82 F85 I208 K209 E210 G214 A215 L244F56-F212 HydrophobicContact CE1-CD1 4.35Å; F56-F212 AromaticContact CE1-CE1 3.76Å; F56-F212 HydrophobicContact CE1-CE1 3.76Å; F56-F212 AromaticContact CE1-CE2 3.92Å; F56-F212 HydrophobicContact CE1-CE2 3.92Å; F56-F212 AromaticContact CE1-CZ 3.52Å; F56-F212 HydrophobicContact CE1-CZ 3.52Å; F56-F212 AromaticContact CZ-CD1 4Å; F56-F212 HydrophobicContact CZ-CD1 4Å; F56-F212 AromaticContact CZ-CD2 3.88Å; F56-F212 HydrophobicContact CZ-CD2 3.88Å; F56-F212 AromaticContact CZ-CE1 3.86Å; F56-F212 HydrophobicContact CZ-CE1 3.86Å; F56-F212 AromaticContact CZ-CE2 3.7Å; F56-F212 HydrophobicContact CZ-CE2 3.7Å; F56-F212 HydrophobicContact CZ-CG 4.02Å; F56-F212 AromaticContact CZ-CZ 3.72Å; F56-F212 HydrophobicContact CZ-CZ 3.72Å; R81-F212 VanDerWaalsContact C-CE2 3.49Å; R81-F212 HydrophobicContact CB-CD2 4.39Å; R81-F212 HydrophobicContact CB-CE2 3.86Å; R81-F212 HydrophobicContact CB-CZ 4.45Å; R81-F212 VanDerWaalsContact CD-O 3.3Å; R81-F212 WeakPolarHBondContact CD-O 3.35Å; R81-F212 HydrophobicContact CG-CD2 3.6Å; R81-F212 HydrophobicContact CG-CE2 3.46Å; R81-F212 VanDerWaalsContact CG-CE2 3.46Å; R81-F212 HydrophobicContact CG-CG 4.33Å; R81-F212 HydrophobicContact CG-CZ 4.05Å; R81-F212 WeakPolarHBondContact O-CD2 3.49Å; R81-F212 WeakPolarHBondContact O-CE2 3.39Å; E82-F212 HydrophobicContact CG-CE2 4.27Å; F85-F212 HydrophobicContact CB-CB 4.4Å; F85-F212 HydrophobicContact CB-CD2 3.74Å; F85-F212 HydrophobicContact CB-CE2 4.5Å; F85-F212 HydrophobicContact CB-CG 4.41Å; F85-F212 HydrophobicContact CD2-CB 3.9Å; F85-F212 HydrophobicContact CD2-CG 4.39Å; F85-F212 HydrophobicContact CG-CD2 4.46Å; I208-F212 WeakPolarHBondContact O-CB 3.25Å; I208-F212 PolarHBondContact O-N 3.44Å; K209-F212 HydrophobicContact CD-CD1 4.21Å; K209-F212 WeakPolarHBondContact O-CB 3.49Å; K209-F212 PolarHBondContact O-N 3.33Å; E210-F212 PolarHBondContact O-N 3.3Å; F212-G214 PolarHBondContact O-N 2.81Å; F212-A215 WeakPolarHBondContact O-CB 3.5Å; F212-A215 PolarHBondContact O-N 3.21Å; F212-L244 HydrophobicContact CB-CD1 4.12Å
213D95.6Very high96Very high77 Ų7755.9 Ų55.941%0.41228%0.281SS..Hα-helixtrans-63.7-33.1-178.7-72-40.4000111.5R59 K209 E210R59-D213 IonicContact CZ-OD1 3.68Å; R59-D213 IonicContact NH1-OD1 3.9Å; R59-D213 IonicContact NH2-OD1 2.76Å; R59-D213 PolarHBondContact NH2-OD1 3.11Å; R59-D213 IonicContact NH2-OD2 3.99Å; K209-D213 IonicContact NZ-OD1 3.9Å; K209-D213 PolarHBondContact NZ-OD1 3.39Å; K209-D213 IonicContact NZ-OD2 2.74Å; K209-D213 PolarHBondContact NZ-OD2 3.42Å; K209-D213 PolarHBondContact O-N 3.48Å; K209-D213 VanDerWaalsContact O-N 3.11Å; E210-D213 PolarHBondContact O-N 2.96Å; E210-D213 VanDerWaalsContact O-N 3.09Å
214G95.4Very high95.4Very high59 Ų5954.2 Ų54.261%0.60830%0.295SS*.THydrogen-bonded Turntrans-96.815.417500000116.1E210 K211 F212E210-G214 PolarHBondContact O-N 3.1Å; K211-G214 CarbonylContact O-C 3.53Å; F212-G214 PolarHBondContact O-N 2.81Å
215A97.1Very high94.7Very high10 Ų1060.1 Ų60.18%0.08334%0.337CS..PPolyproline II helixtrans-62.6144.9-174.600000112.4R81 K211 F212 L244 Y246R81-A215 HydrophobicContact CG-CB 3.83Å; K211-A215 WeakPolarHBondContact O-CA 3.38Å; K211-A215 PolarHBondContact O-N 3Å; F212-A215 WeakPolarHBondContact O-CB 3.5Å; F212-A215 PolarHBondContact O-N 3.21Å; A215-L244 CarbonylContact C-O 3.58Å; A215-L244 VanDerWaalsContact CA-O 3.27Å; A215-L244 WeakPolarHBondContact CA-O 3.45Å; A215-L244 HydrophobicContact CB-CB 3.98Å; A215-L244 WeakPolarHBondContact CB-O 3.45Å; A215-Y246 HydrophobicContact CB-CD1 4.02Å; A215-Y246 HydrophobicContact CB-CE1 4.37Å; A215-Y246 WeakPolarHBondContact O-CE1 3.41Å
216T96.9Very high94.1Very high25 Ų2564 Ų6415%0.15336%0.361CS..EExtended strand (participates in β ladder)trans-97.6131.5-175.5-59.20000112V218 P231 L244 V245 Y246T216-V218 HydrophobicContact CG2-CG1 4.06Å; T216-P231 HydrophobicContact CG2-CB 4.04Å; T216-P231 HydrophobicContact CG2-CG 4.24Å; T216-L244 PolarHBondContact N-O 3.04Å; T216-V245 VanDerWaalsContact O-CA 3.3Å; T216-V245 WeakPolarHBondContact O-CA 3.37Å; T216-Y246 WeakPolarHBondContact O-CD1 3.44Å; T216-Y246 PolarHBondContact O-N 3.49Å
217E96.8Very high93.7Very high49 Ų4963.9 Ų63.923%0.22936%0.356CS..EExtended strand (participates in β ladder)trans-73.7125.9168.1-164.3172.7159.700110P231 R232 Y246E217-P231 WeakPolarHBondContact O-CA 3.32Å; E217-R232 HydrophobicContact CB-CB 4.47Å; E217-R232 HydrophobicContact CG-CB 4.25Å; E217-R232 PolarHBondContact O-N 2.7Å; E217-R232 WeakPolarHBondContact OE1-CD 3.34Å; E217-R232 IonicContact OE1-CZ 3.59Å; E217-R232 IonicContact OE1-NE 3.52Å; E217-R232 IonicContact OE1-NH1 3.93Å; E217-R232 PolarHBondContact OE1-NH1 3.18Å; E217-Y246 CarbonylContact C-O 3.28Å; E217-Y246 WeakPolarHBondContact CA-O 3.4Å; E217-Y246 HydrophobicContact CB-CD2 4.34Å; E217-Y246 HydrophobicContact CB-CE1 4.03Å; E217-Y246 HydrophobicContact CB-CE2 3.67Å; E217-Y246 VanDerWaalsContact CB-CZ 3.5Å; E217-Y246 HydrophobicContact CG-CD2 4.1Å; E217-Y246 HydrophobicContact CG-CE2 3.56Å
218V96.6Very high93.3Very high2 Ų265.1 Ų65.11%0.01237%0.365CS..EExtended strand (participates in β ladder)trans-125.2156.1-175.1-62.10000111.9T216 L229 V230 V245 Y246 L247T216-V218 HydrophobicContact CG2-CG1 4.06Å; V218-L229 HydrophobicContact CB-CB 4.24Å; V218-L229 HydrophobicContact CG2-CB 4.14Å; V218-L229 HydrophobicContact CG2-CD1 4.19Å; V218-L229 HydrophobicContact CG2-CD2 4.08Å; V218-L229 HydrophobicContact CG2-CG 4.36Å; V218-V230 CarbonylContact C-O 3.48Å; V218-V230 WeakPolarHBondContact CA-O 3.48Å; V218-V230 VanDerWaalsContact CB-O 3.25Å; V218-V230 WeakPolarHBondContact CB-O 3.06Å; V218-V245 HydrophobicContact CG1-CB 3.87Å; V218-V245 HydrophobicContact CG1-CG1 3.85Å; V218-V245 HydrophobicContact CG2-CB 3.84Å; V218-V245 HydrophobicContact CG2-CG2 4.17Å; V218-Y246 WeakPolarHBondContact CG2-O 3.39Å; V218-Y246 PolarHBondContact N-O 3.35Å; V218-L247 HydrophobicContact CG2-CD2 4Å
219E94.7Very high93.1Very high63 Ų6366 Ų6629%0.29437%0.369SS..EExtended strand (participates in β ladder)trans-125.1155.7168.362.8177.3-166.400110.2R221 L229 V230E219-R221 HydrophobicContact CG-CG 4.47Å; E219-R221 IonicContact OE1-CZ 2.86Å; E219-R221 IonicContact OE1-NE 2.89Å; E219-R221 PolarHBondContact OE1-NE 3.31Å; E219-R221 IonicContact OE1-NH2 2.86Å; E219-R221 PolarHBondContact OE1-NH2 3.4Å; E219-L229 WeakPolarHBondContact O-CA 3.49Å; E219-V230 HydrophobicContact CG-CG2 3.97Å; E219-V230 PolarHBondContact N-O 2.95Å; E219-V230 PolarHBondContact O-N 3.22Å
220Q92.7Very high93Very high65 Ų6566.9 Ų66.930%0.30438%0.376SS..EExtended strand (participates in β ladder)trans-84.9122.5177.2-177.6177.338.300110.1L159 K227 V228 L229L159-Q220 HydrophobicContact CD1-CG 4.4Å; L159-Q220 VanDerWaalsContact CD1-NE2 3.29Å; Q220-K227 HydrophobicContact CG-CB 4.36Å; Q220-V228 WeakPolarHBondContact CA-O 3.06Å; Q220-L229 HydrophobicContact CB-CD2 4.35Å
221R91.3Very high92.9Very high129 Ų12960.8 Ų60.849%0.48735%0.349SS..EExtended strand (participates in β ladder)trans-116.4152.8169.9-68.1-165.9-171-177.3-0.6111E219 V228 V230E219-R221 HydrophobicContact CG-CG 4.47Å; E219-R221 IonicContact OE1-CZ 2.86Å; E219-R221 IonicContact OE1-NE 2.89Å; E219-R221 PolarHBondContact OE1-NE 3.31Å; E219-R221 IonicContact OE1-NH2 2.86Å; E219-R221 PolarHBondContact OE1-NH2 3.4Å; R221-V228 PolarHBondContact N-O 3.5Å; R221-V228 PolarHBondContact O-N 3.44Å; R221-V230 HydrophobicContact CB-CG2 4.17Å; R221-V230 HydrophobicContact CG-CG2 3.6Å
222K89.8Confident92.7Very high162 Ų16264.9 Ų64.970%0.70436%0.363SS*.EExtended strand (participates in β ladder)trans-93.8123.2169.9-70.4-176.8-179.4176.20108.6T226 K227K222-T226 WeakPolarHBondContact CA-O 3.37Å; K222-K227 HydrophobicContact CG-CG 4.25Å
223V86.3Confident92.5Very high94 Ų9467.6 Ų67.657%0.5738%0.378SS*.EExtended strand (participates in β ladder)trans-115.9102.8170.7179.40000106.5S225 T226 V228V223-S225 PolarHBondContact O-N 2.88Å; V223-T226 PolarHBondContact N-O 3.3Å; V223-T226 PolarHBondContact O-N 3.21Å; V223-T226 VanDerWaalsContact O-N 3.08Å; V223-V228 HydrophobicContact CB-CG2 4.24Å; V223-V228 HydrophobicContact CG2-CG2 3.55Å
224G86.3Confident92.3Very high75 Ų7569.2 Ų69.277%0.77340%0.395SS*.THydrogen-bonded Turntrans60.9-126.7-167.200000111.6
225S83.6Confident92.1Very high124 Ų12474.6 Ų74.687%0.86741%0.405SS*.THydrogen-bonded Turntrans-83.7-11.4174.656.70000113.7V223V223-S225 PolarHBondContact O-N 2.88Å
226T85.6Confident91.8Very high82 Ų8280.3 Ų80.350%0.50343%0.428SS..EExtended strand (participates in β ladder)trans-94.9135.2-172.2-53.40000111K222 V223 V228K222-T226 WeakPolarHBondContact CA-O 3.37Å; V223-T226 PolarHBondContact N-O 3.3Å; V223-T226 PolarHBondContact O-N 3.21Å; V223-T226 VanDerWaalsContact O-N 3.08Å; T226-V228 HydrophobicContact CG2-CG1 4.03Å
227K89.6Confident91.5Very high75 Ų7588 Ų8833%0.32646%0.459SS..EExtended strand (participates in β ladder)trans-91.1121.5172.4-70.9168.3171.5-165.70108.8S154 L159 Q220 K222S154-K227 PolarHBondContact O-NZ 3.12Å; S154-K227 PolarHBondContact OG-NZ 3Å; L159-K227 HydrophobicContact CD1-CB 3.98Å; Q220-K227 HydrophobicContact CG-CB 4.36Å; K222-K227 HydrophobicContact CG-CG 4.25Å
228V91.4Very high91.3Very high48 Ų4890.6 Ų90.629%0.29148%0.481SS..EExtended strand (participates in β ladder)trans-124.2150.9-178.8-62.30000110.4Q220 R221 V223 T226 V230Q220-V228 WeakPolarHBondContact CA-O 3.06Å; R221-V228 PolarHBondContact N-O 3.5Å; R221-V228 PolarHBondContact O-N 3.44Å; V223-V228 HydrophobicContact CB-CG2 4.24Å; V223-V228 HydrophobicContact CG2-CG2 3.55Å; T226-V228 HydrophobicContact CG2-CG1 4.03Å; V228-V230 HydrophobicContact CG2-CG1 4.1Å
229L94.1Very high91.2Very high22 Ų2292.5 Ų92.512%0.11549%0.489CS..EExtended strand (participates in β ladder)trans-87.7133.6169.1-64175.9000108L159 M160 V218 E219 Q220 H239 V245 L247L159-L229 HydrophobicContact CB-CD1 3.98Å; L159-L229 HydrophobicContact CB-CD2 4.3Å; L159-L229 HydrophobicContact CB-CG 4.07Å; M160-L229 HydrophobicContact CB-CD1 4.27Å; V218-L229 HydrophobicContact CB-CB 4.24Å; V218-L229 HydrophobicContact CG2-CB 4.14Å; V218-L229 HydrophobicContact CG2-CD1 4.19Å; V218-L229 HydrophobicContact CG2-CD2 4.08Å; V218-L229 HydrophobicContact CG2-CG 4.36Å; E219-L229 WeakPolarHBondContact O-CA 3.49Å; Q220-L229 HydrophobicContact CB-CD2 4.35Å; L229-H239 PolarHBondContact O-CE1 3.11Å; L229-H239 VanDerWaalsContact O-CE1 3.29Å; L229-V245 HydrophobicContact CD1-CG2 4.04Å; L229-L247 HydrophobicContact CD2-CD2 4.2Å
230V95Very high91.3Very high36 Ų3692.7 Ų92.722%0.21850%0.495CS..EExtended strand (participates in β ladder)trans-130.5151.6174.3-61.10000109.5V218 E219 R221 V228 R232V218-V230 CarbonylContact C-O 3.48Å; V218-V230 WeakPolarHBondContact CA-O 3.48Å; V218-V230 VanDerWaalsContact CB-O 3.25Å; V218-V230 WeakPolarHBondContact CB-O 3.06Å; E219-V230 HydrophobicContact CG-CG2 3.97Å; E219-V230 PolarHBondContact N-O 2.95Å; E219-V230 PolarHBondContact O-N 3.22Å; R221-V230 HydrophobicContact CB-CG2 4.17Å; R221-V230 HydrophobicContact CG-CG2 3.6Å; V228-V230 HydrophobicContact CG2-CG1 4.1Å; V230-R232 PolarHBondContact O-N 3.43Å
231P96.1Very high91.4Very high17 Ų1793.5 Ų93.511%0.1150%0.501CS..EExtended strand (participates in β ladder)trans-52.7132.9173.3-24.734.1000111T216 E217 N233T216-P231 HydrophobicContact CG2-CB 4.04Å; T216-P231 HydrophobicContact CG2-CG 4.24Å; E217-P231 WeakPolarHBondContact O-CA 3.32Å; P231-N233 VanDerWaalsContact C-N 3.28Å; P231-N233 WeakPolarHBondContact CB-O 3.47Å; P231-N233 PolarHBondContact O-N 3.04Å
232R94.9Very high91.7Very high142 Ų14290.3 Ų90.354%0.53649%0.492SS..SBendtrans-65-36.6179-167.2175.7-172.3-171.80.6111.5E217 V230E217-R232 HydrophobicContact CB-CB 4.47Å; E217-R232 HydrophobicContact CG-CB 4.25Å; E217-R232 PolarHBondContact O-N 2.7Å; E217-R232 WeakPolarHBondContact OE1-CD 3.34Å; E217-R232 IonicContact OE1-CZ 3.59Å; E217-R232 IonicContact OE1-NE 3.52Å; E217-R232 IonicContact OE1-NH1 3.93Å; E217-R232 PolarHBondContact OE1-NH1 3.18Å; V230-R232 PolarHBondContact O-N 3.43Å
233N93.2Very high92.1Very high63 Ų6384.3 Ų84.334%0.33747%0.467SS..SBendtrans-98.4117.3169.6-180-6.8000109.6P231 Q235 F236P231-N233 VanDerWaalsContact C-N 3.28Å; P231-N233 WeakPolarHBondContact CB-O 3.47Å; P231-N233 PolarHBondContact O-N 3.04Å; N233-Q235 PolarHBondContact O-N 3.47Å; N233-Q235 WeakPolarHBondContact OD1-CB 3.28Å; N233-Q235 PolarHBondContact OD1-N 2.94Å; N233-F236 HydrophobicContact CB-CD2 3.63Å; N233-F236 HydrophobicContact CB-CE2 3.76Å; N233-F236 PolarHBondContact O-N 3.28Å
234S91Very high92.7Very high112 Ų11280 Ų8078%0.78344%0.441SS*.THydrogen-bonded Turntrans-68.9-12.9-177.855.20000114.7F236S234-F236 VanDerWaalsContact C-N 3.27Å
235Q91.9Very high93.2Very high171 Ų17176.4 Ų76.480%0.79940%0.404SS*.THydrogen-bonded Turntrans-75.7-18.5174-60.6-176.410.500112.4N233N233-Q235 PolarHBondContact O-N 3.47Å; N233-Q235 WeakPolarHBondContact OD1-CB 3.28Å; N233-Q235 PolarHBondContact OD1-N 2.94Å
236F90.9Very high93.8Very high131 Ų13171.5 Ų71.558%0.57537%0.367SS*.SBendtrans-82146.9175.4-63.2-43.8000111.3N233 S234N233-F236 HydrophobicContact CB-CD2 3.63Å; N233-F236 HydrophobicContact CB-CE2 3.76Å; N233-F236 PolarHBondContact O-N 3.28Å; S234-F236 VanDerWaalsContact C-N 3.27Å
237K90.6Very high94.3Very high185 Ų18568.8 Ų68.880%0.80435%0.349SS*.PPolyproline II helixtrans-62.4147175-64.9-175.1179.7179.30109.9
238P92.6Very high94.4Very high105 Ų10569.9 Ų69.968%0.68236%0.355SS*.PPolyproline II helixtrans-54.8143.1169.2-24.434.6000111.3
239H94.4Very high94.4Very high41 Ų4171.7 Ų71.719%0.1937%0.368CS..PPolyproline II helixtrans-70.8147.8174.557.8-90.8000110.5H163 L229 D243 V245H163-H239 AromaticContact CE1-CD2 3.4Å; H163-H239 PolarHBondContact CE1-CD2 3.07Å; H163-H239 VanDerWaalsContact CE1-CD2 3.4Å; H163-H239 AromaticContact CE1-NE2 3.93Å; H163-H239 AromaticContact NE2-CD2 3.87Å; L229-H239 PolarHBondContact O-CE1 3.11Å; L229-H239 VanDerWaalsContact O-CE1 3.29Å; H239-D243 HydrophobicContact CB-CB 4.19Å; H239-V245 HydrophobicContact CB-CG1 3.82Å
240T96.3Very high94.2Very high67 Ų6772.8 Ų72.841%0.41138%0.378SS..PPolyproline II helixtrans-88173.4168.1680000110.7H163 E242 D243H163-T240 PolarHBondContact CE1-O 3.24Å; H163-T240 PolarHBondContact NE2-O 2.93Å; T240-E242 PolarHBondContact O-N 3.37Å; T240-E242 PolarHBondContact OG1-N 3.47Å; T240-D243 WeakPolarHBondContact CB-OD2 3.5Å; T240-D243 PolarHBondContact N-OD2 3Å; T240-D243 PolarHBondContact O-N 3.04Å; T240-D243 PolarHBondContact OG1-N 3.2Å; T240-D243 PolarHBondContact OG1-OD2 3.17Å
241D95.6Very high94Very high83 Ų8373.2 Ų73.244%0.44438%0.381SS..THydrogen-bonded Turntrans-72.1-8.1173.355.61.1000114A167 K170A167-D241 WeakPolarHBondContact CA-O 3.41Å; A167-D241 WeakPolarHBondContact CB-O 3.49Å; K170-D241 HydrophobicContact CD-CB 4.27Å; K170-D241 IonicContact NZ-OD2 2.56Å; K170-D241 PolarHBondContact NZ-OD2 3.5Å
242E96.5Very high93.7Very high62 Ų6277.1 Ų77.129%0.2940%0.401SS..THydrogen-bonded Turntrans-98.9-9172-59.6-167.6158.400113.3K170 S174 K211 T240K170-E242 HydrophobicContact CB-CG 4.23Å; K170-E242 HydrophobicContact CD-CG 4.3Å; S174-E242 WeakPolarHBondContact CB-OE1 3.44Å; S174-E242 PolarHBondContact OG-OE1 2.97Å; K211-E242 WeakPolarHBondContact CE-O 3.43Å; T240-E242 PolarHBondContact O-N 3.37Å; T240-E242 PolarHBondContact OG1-N 3.47Å
243D97.9Very high93.5Very high36 Ų3671.5 Ų71.519%0.19338%0.381CS..SBendtrans-89.2149.6-179.5-61.1-39000111.4H163 K211 H239 T240H163-D243 PolarHBondContact CD2-O 2.67Å; H163-D243 PolarHBondContact NE2-O 2.03Å; K211-D243 IonicContact NZ-OD1 3.2Å; K211-D243 PolarHBondContact NZ-OD1 3.28Å; H239-D243 HydrophobicContact CB-CB 4.19Å; T240-D243 WeakPolarHBondContact CB-OD2 3.5Å; T240-D243 PolarHBondContact N-OD2 3Å; T240-D243 PolarHBondContact O-N 3.04Å; T240-D243 PolarHBondContact OG1-N 3.2Å; T240-D243 PolarHBondContact OG1-OD2 3.17Å
244L98.3Very high93.5Very high2 Ų268.8 Ų68.81%0.0137%0.366CS..  trans-86.6143.3172.6-61.3-173.9000110.8A84 F85 A88 N164 A167 I208 K211 F212 A215 T216A84-L244 HydrophobicContact CB-CB 4.38Å; F85-L244 HydrophobicContact CB-CD1 4.47Å; A88-L244 HydrophobicContact CB-CD1 4.45Å; A88-L244 HydrophobicContact CB-CD2 3.61Å; N164-L244 HydrophobicContact CB-CD2 4.18Å; N164-L244 WeakPolarHBondContact OD1-CA 3.49Å; A167-L244 HydrophobicContact CB-CD2 3.89Å; I208-L244 HydrophobicContact CG2-CD1 4.04Å; K211-L244 HydrophobicContact CB-CD1 4.32Å; K211-L244 HydrophobicContact CB-CG 3.94Å; F212-L244 HydrophobicContact CB-CD1 4.12Å; A215-L244 CarbonylContact C-O 3.58Å; A215-L244 VanDerWaalsContact CA-O 3.27Å; A215-L244 WeakPolarHBondContact CA-O 3.45Å; A215-L244 HydrophobicContact CB-CB 3.98Å; A215-L244 WeakPolarHBondContact CB-O 3.45Å; T216-L244 PolarHBondContact N-O 3.04Å
245V97.8Very high93.6Very high0 Ų068.2 Ų68.20%036%0.355CS..EExtended strand (participates in β ladder)trans-126.4146.9178.2-590000111.2A84 M160 H163 N164 T216 V218 L229 H239A84-V245 WeakPolarHBondContact CB-O 3.44Å; M160-V245 HydrophobicContact CG-CG2 4.02Å; M160-V245 WeakPolarHBondContact CG-O 3.44Å; H163-V245 HydrophobicContact CB-CG2 4.21Å; N164-V245 PolarHBondContact ND2-O 3.01Å; N164-V245 PolarHBondContact OD1-N 3.4Å; N164-V245 PolarHBondContact OD1-O 3.26Å; T216-V245 VanDerWaalsContact O-CA 3.3Å; T216-V245 WeakPolarHBondContact O-CA 3.37Å; V218-V245 HydrophobicContact CG1-CB 3.87Å; V218-V245 HydrophobicContact CG1-CG1 3.85Å; V218-V245 HydrophobicContact CG2-CB 3.84Å; V218-V245 HydrophobicContact CG2-CG2 4.17Å; L229-V245 HydrophobicContact CD1-CG2 4.04Å; H239-V245 HydrophobicContact CB-CG1 3.82Å
246Y96.4Very high93.4Very high22 Ų2265.7 Ų65.79%0.08634%0.342CS..EExtended strand (participates in β ladder)trans-137.9155.9177.872-89.2000111G79 R81 A215 T216 E217 V218 E248G79-Y246 WeakPolarHBondContact O-CB 2.89Å; R81-Y246 HydrophobicContact CB-CD1 4.23Å; R81-Y246 HydrophobicContact CB-CG 4.27Å; R81-Y246 HydrophobicContact CG-CD1 4.16Å; R81-Y246 PolarHBondContact NH2-OH 2.96Å; A215-Y246 HydrophobicContact CB-CD1 4.02Å; A215-Y246 HydrophobicContact CB-CE1 4.37Å; A215-Y246 WeakPolarHBondContact O-CE1 3.41Å; T216-Y246 WeakPolarHBondContact O-CD1 3.44Å; T216-Y246 PolarHBondContact O-N 3.49Å; E217-Y246 CarbonylContact C-O 3.28Å; E217-Y246 WeakPolarHBondContact CA-O 3.4Å; E217-Y246 HydrophobicContact CB-CD2 4.34Å; E217-Y246 HydrophobicContact CB-CE1 4.03Å; E217-Y246 HydrophobicContact CB-CE2 3.67Å; E217-Y246 VanDerWaalsContact CB-CZ 3.5Å; E217-Y246 HydrophobicContact CG-CD2 4.1Å; E217-Y246 HydrophobicContact CG-CE2 3.56Å; V218-Y246 WeakPolarHBondContact CG2-O 3.39Å; V218-Y246 PolarHBondContact N-O 3.35Å; Y246-E248 WeakPolarHBondContact CD2-O 3Å
247L94.9Very high93.1Very high25 Ų2561.1 Ų61.113%0.13132%0.324CS..SBendtrans-101.1-30.2-175.2-63.2164.8000113.2G79 R157 M160 V218 L229G79-L247 PolarHBondContact O-N 3.4Å; R157-L247 HydrophobicContact CB-CD1 4.16Å; M160-L247 HydrophobicContact CB-CD1 4.1Å; M160-L247 HydrophobicContact CB-CG 4.27Å; M160-L247 HydrophobicContact CG-CD1 4.48Å; M160-L247 HydrophobicContact CG-CG 4.29Å; M160-L247 HydrophobicContact SD-CB 4.33Å; M160-L247 HydrophobicContact SD-CD1 3.82Å; M160-L247 HydrophobicContact SD-CG 3.68Å; V218-L247 HydrophobicContact CG2-CD2 4Å; L229-L247 HydrophobicContact CD2-CD2 4.2Å
248E92.4Very high92.8Very high98 Ų9857.3 Ų57.346%0.45832%0.318SS..SBendtrans-134.5142.6-169.8-67.3171.8168.500110.7G79 Y246G79-E248 PolarHBondContact N-OE2 2.96Å; G79-E248 PolarHBondContact O-N 2.93Å; Y246-E248 WeakPolarHBondContact CD2-O 3Å
249P92.4Very high92.2Very high86 Ų8662.4 Ų62.456%0.55832%0.324SS*.PPolyproline II helixtrans-61.5145.5175.227.2-34.2000110.9
250S90.2Very high91.2Very high45 Ų4562.4 Ų62.432%0.31533%0.327SS..PPolyproline II helixtrans-65.8143.1177.8-55.10000111.2E82E82-S250 VanDerWaalsContact CD-OG 3.31Å; E82-S250 PolarHBondContact OE1-OG 2.87Å; E82-S250 VanDerWaalsContact OE2-CB 3.3Å; E82-S250 WeakPolarHBondContact OE2-CB 3.49Å; E82-S250 PolarHBondContact OE2-OG 3.32Å
251P89.1Confident90Very high44 Ų4461 Ų6129%0.28632%0.318SS..PPolyproline II helixtrans-69.3168.6174.731.8-36.9000111.4F253 M263P251-F253 HydrophobicContact CG-CD1 4.43Å; P251-F253 HydrophobicContact CG-CE1 3.8Å; P251-F253 HydrophobicContact CG-CE2 4.45Å; P251-F253 HydrophobicContact CG-CZ 3.82Å; P251-F253 WeakPolarHBondContact O-CD2 3.46Å; P251-F253 WeakPolarHBondContact O-CE2 3.03Å; P251-F253 PolarHBondContact O-N 3.18Å; P251-M263 HydrophobicContact CB-CE 4.25Å; P251-M263 HydrophobicContact CB-SD 4.27Å; P251-M263 HydrophobicContact CG-CE 4.43Å; P251-M263 HydrophobicContact CG-SD 3.84Å
252D89.9Confident88.9Confident100 Ų10057.4 Ų57.454%0.53530%0.301SS..  trans-80.7105.8172.8-172.812.3000111.9R60 C254 M263R60-D252 IonicContact NH1-OD1 3.6Å; D252-C254 PolarHBondContact O-N 3.18Å; D252-C254 VanDerWaalsContact O-N 3.12Å; D252-C254 WeakPolarHBondContact OD1-CB 3.32Å; D252-C254 PolarHBondContact OD1-N 3.08Å; D252-C254 PolarHBondContact OD1-SG 3.12Å; D252-M263 WeakPolarHBondContact O-CE 3.34Å
253F91.4Very high88.2Confident24 Ų2455.3 Ų55.311%0.10529%0.292CS..THydrogen-bonded Turntrans-75.210.3-178.3-59.2-74.7000115R60 W61 E82 P251 M263 G265R60-F253 HydrophobicContact CB-CB 3.85Å; W61-F253 HydrophobicContact CB-CB 4.5Å; W61-F253 HydrophobicContact CB-CD1 3.86Å; W61-F253 HydrophobicContact CB-CD2 3.82Å; W61-F253 HydrophobicContact CB-CE1 3.94Å; W61-F253 HydrophobicContact CB-CE2 3.87Å; W61-F253 HydrophobicContact CB-CG 3.8Å; W61-F253 HydrophobicContact CB-CZ 3.94Å; W61-F253 AromaticContact CD1-CD1 3.92Å; W61-F253 AromaticContact CD1-CE1 3.57Å; W61-F253 HydrophobicContact CG-CD1 4.25Å; W61-F253 AromaticContact CG-CE1 3.98Å; W61-F253 HydrophobicContact CG-CE1 3.98Å; W61-F253 HydrophobicContact CG-CE2 4.49Å; W61-F253 HydrophobicContact CG-CZ 4.1Å; E82-F253 HydrophobicContact CG-CE2 4.35Å; E82-F253 HydrophobicContact CG-CZ 4.13Å; P251-F253 HydrophobicContact CG-CD1 4.43Å; P251-F253 HydrophobicContact CG-CE1 3.8Å; P251-F253 HydrophobicContact CG-CE2 4.45Å; P251-F253 HydrophobicContact CG-CZ 3.82Å; P251-F253 WeakPolarHBondContact O-CD2 3.46Å; P251-F253 WeakPolarHBondContact O-CE2 3.03Å; P251-F253 PolarHBondContact O-N 3.18Å; F253-M263 HydrophobicContact CD1-CE 4.29Å; F253-M263 HydrophobicContact CD1-SD 3.4Å; F253-M263 WeakPolarHBondContact CD1-SD 3.4Å; F253-M263 HydrophobicContact CE1-SD 3.68Å; F253-M263 HydrophobicContact CG-SD 4.39Å; F253-G265 WeakPolarHBondContact O-CA 3.42Å
254C93.3Very high87.6Confident5 Ų556.6 Ų56.63%0.03430%0.298CS..THydrogen-bonded Turntrans-66.8-42.4-177-78.40000114D252 G265 T266 C286 R288D252-C254 PolarHBondContact O-N 3.18Å; D252-C254 VanDerWaalsContact O-N 3.12Å; D252-C254 WeakPolarHBondContact OD1-CB 3.32Å; D252-C254 PolarHBondContact OD1-N 3.08Å; D252-C254 PolarHBondContact OD1-SG 3.12Å; C254-G265 WeakPolarHBondContact O-CA 3.41Å; C254-T266 PolarHBondContact O-N 3.04Å; C254-T266 PolarHBondContact O-OG1 2.76Å; C254-C286 VanDerWaalsContact CA-SG 3.5Å; C254-C286 HydrophobicContact CB-CB 3.7Å; C254-C286 WeakPolarHBondContact CB-SG 3.35Å; C254-C286 WeakPolarHBondContact SG-CB 3.4Å; C254-C286 CovalentContact SG-SG 2.01Å; C254-C286 PolarHBondContact SG-SG 2.7Å; C254-R288 PolarHBondContact O-NH1 2.92Å
255D92.3Very high87.2Confident101 Ų10156.9 Ų56.954%0.5430%0.302SS..SBendtrans-109.6149.5-173.4-61.5-35.1000111.5D257 G265 R288D255-D257 PolarHBondContact O-N 3.31Å; D255-G265 VanDerWaalsContact C-CA 3.48Å; D255-R288 IonicContact OD1-NH1 3.01Å; D255-R288 PolarHBondContact OD1-NH1 3.17Å
256H89.3Confident87.1Confident117 Ų11756.9 Ų56.954%0.54230%0.302SS..BIsolated β-bridgetrans-75.8123.7177.7176-89.6000110.1M263 L264H256-M263 WeakPolarHBondContact CA-O 3.43Å; H256-L264 WeakPolarHBondContact CB-O 3.35Å; H256-L264 PolarHBondContact CD2-O 2.89Å
257D84.8Confident87Confident35 Ų3560.2 Ų60.219%0.18733%0.325CS..  trans-119.5105.6172.3179.917000110.3D255 R259 T260 M263D255-D257 PolarHBondContact O-N 3.31Å; D257-R259 PolarHBondContact O-N 3.42Å; D257-R259 VanDerWaalsContact O-N 3.13Å; D257-R259 WeakPolarHBondContact OD1-CB 3.41Å; D257-R259 IonicContact OD1-CZ 3.96Å; D257-R259 PolarHBondContact OD1-N 3.46Å; D257-R259 IonicContact OD1-NE 3.17Å; D257-R259 PolarHBondContact OD1-NE 3.29Å; D257-R259 IonicContact OD1-NH2 3.8Å; D257-T260 PolarHBondContact O-N 2.79Å; D257-T260 VanDerWaalsContact O-N 3.14Å; D257-T260 VanDerWaalsContact O-O 3.1Å; D257-T260 VanDerWaalsContact OD2-CB 3.31Å; D257-T260 WeakPolarHBondContact OD2-CB 3.48Å; D257-T260 PolarHBondContact OD2-OG1 3.41Å; D257-M263 HydrophobicContact CB-CB 3.85Å; D257-M263 HydrophobicContact CB-CG 4.42Å; D257-M263 PolarHBondContact N-O 2.96Å
258P82.4Confident86.9Confident106 Ų10661.6 Ų61.669%0.68834%0.344SS*.THydrogen-bonded Turntrans-65.3-18.8-179.226.5-32.9000112.9
259R80.4Confident87Confident212 Ų21258.4 Ų58.480%0.833%0.328SS*.THydrogen-bonded Turntrans-79.7-24.5179.7-60.2172.5-66.2-178.30.6112.1D257 P261D257-R259 PolarHBondContact O-N 3.42Å; D257-R259 VanDerWaalsContact O-N 3.13Å; D257-R259 WeakPolarHBondContact OD1-CB 3.41Å; D257-R259 IonicContact OD1-CZ 3.96Å; D257-R259 PolarHBondContact OD1-N 3.46Å; D257-R259 IonicContact OD1-NE 3.17Å; D257-R259 PolarHBondContact OD1-NE 3.29Å; D257-R259 IonicContact OD1-NH2 3.8Å; R259-P261 WeakPolarHBondContact O-CD 3.41Å
260T74.7Confident87.1Confident40 Ų4060.8 Ų60.825%0.24533%0.332CS..SBendtrans-112.1105.5-175-55.30000109.8D257 G262 M263D257-T260 PolarHBondContact O-N 2.79Å; D257-T260 VanDerWaalsContact O-N 3.14Å; D257-T260 VanDerWaalsContact O-O 3.1Å; D257-T260 VanDerWaalsContact OD2-CB 3.31Å; D257-T260 WeakPolarHBondContact OD2-CB 3.48Å; D257-T260 PolarHBondContact OD2-OG1 3.41Å; T260-G262 PolarHBondContact O-N 3.28Å; T260-M263 HydrophobicContact CG2-CG 3.46Å; T260-M263 VanDerWaalsContact CG2-CG 3.46Å; T260-M263 WeakPolarHBondContact O-CB 3.35Å; T260-M263 PolarHBondContact O-N 3.44Å; T260-M263 VanDerWaalsContact O-N 3.11Å
261P69.9Low87.3Confident37 Ų3759.4 Ų59.424%0.2432%0.322CS..THydrogen-bonded Turntrans-60.9132.7-177.2-26.639.5000111.3M69 K74 V75 R259M69-P261 HydrophobicContact CG-CB 3.84Å; M69-P261 HydrophobicContact SD-CB 3.23Å; M69-P261 WeakPolarHBondContact SD-CB 3.33Å; K74-P261 HydrophobicContact CB-CB 3.77Å; K74-P261 HydrophobicContact CB-CG 3.58Å; K74-P261 HydrophobicContact CD-CG 3.67Å; K74-P261 HydrophobicContact CG-CG 4.28Å; V75-P261 WeakPolarHBondContact CG2-O 3.37Å; R259-P261 WeakPolarHBondContact O-CD 3.41Å
262G71.8Confident87.6Confident8 Ų860.1 Ų60.18%0.08232%0.323CS..THydrogen-bonded Turntrans91.5-6.1-177.200000114.9M69 T260 L264M69-G262 VanDerWaalsContact CE-CA 3.45Å; M69-G262 PolarHBondContact SD-N 3.22Å; T260-G262 PolarHBondContact O-N 3.28Å; G262-L264 VanDerWaalsContact C-N 3.31Å; G262-L264 PolarHBondContact O-N 3.49Å; G262-L264 VanDerWaalsContact O-N 3.15Å
263M82.4Confident87.8Confident18 Ų1862.3 Ų62.39%0.08932%0.324CS..  trans-85.374170.2-62-63.8-68.700110P251 D252 F253 H256 D257 T260 G265P251-M263 HydrophobicContact CB-CE 4.25Å; P251-M263 HydrophobicContact CB-SD 4.27Å; P251-M263 HydrophobicContact CG-CE 4.43Å; P251-M263 HydrophobicContact CG-SD 3.84Å; D252-M263 WeakPolarHBondContact O-CE 3.34Å; F253-M263 HydrophobicContact CD1-CE 4.29Å; F253-M263 HydrophobicContact CD1-SD 3.4Å; F253-M263 WeakPolarHBondContact CD1-SD 3.4Å; F253-M263 HydrophobicContact CE1-SD 3.68Å; F253-M263 HydrophobicContact CG-SD 4.39Å; H256-M263 WeakPolarHBondContact CA-O 3.43Å; D257-M263 HydrophobicContact CB-CB 3.85Å; D257-M263 HydrophobicContact CB-CG 4.42Å; D257-M263 PolarHBondContact N-O 2.96Å; T260-M263 HydrophobicContact CG2-CG 3.46Å; T260-M263 VanDerWaalsContact CG2-CG 3.46Å; T260-M263 WeakPolarHBondContact O-CB 3.35Å; T260-M263 PolarHBondContact O-N 3.44Å; T260-M263 VanDerWaalsContact O-N 3.11Å; M263-G265 VanDerWaalsContact C-N 3.32Å
264L85.3Confident87.9Confident63 Ų6367.2 Ų67.233%0.3336%0.356SS..BIsolated β-bridgetrans-81.4-13-178.8-60.6-171.4000113.7S64 L66 H256 G262S64-L264 WeakPolarHBondContact OG-CD1 3.49Å; L66-L264 HydrophobicContact CD1-CD2 4.06Å; L66-L264 HydrophobicContact CD2-CD2 4.07Å; L66-L264 HydrophobicContact CG-CD2 4.2Å; H256-L264 WeakPolarHBondContact CB-O 3.35Å; H256-L264 PolarHBondContact CD2-O 2.89Å; G262-L264 VanDerWaalsContact C-N 3.31Å; G262-L264 PolarHBondContact O-N 3.49Å; G262-L264 VanDerWaalsContact O-N 3.15Å
265G90.4Very high88Confident9 Ų968.3 Ų68.39%0.09336%0.364CS..  trans70.7179.3-168.300000112.9F253 C254 D255 M263F253-G265 WeakPolarHBondContact O-CA 3.42Å; C254-G265 WeakPolarHBondContact O-CA 3.41Å; D255-G265 VanDerWaalsContact C-CA 3.48Å; M263-G265 VanDerWaalsContact C-N 3.32Å
266T94.6Very high87.9Confident0 Ų073.1 Ų73.10%038%0.38CS..SBendtrans-111.21.6179.8600000114.5R60 C254 G268 R269 M284 R288 C325R60-T266 HydrophobicContact CB-CG2 3.77Å; R60-T266 HydrophobicContact CG-CG2 3.9Å; C254-T266 PolarHBondContact O-N 3.04Å; C254-T266 PolarHBondContact O-OG1 2.76Å; T266-G268 PolarHBondContact O-N 3.17Å; T266-R269 VanDerWaalsContact O-CB 3.25Å; T266-R269 WeakPolarHBondContact O-CB 3.3Å; T266-R269 WeakPolarHBondContact O-CG 3.39Å; T266-R269 PolarHBondContact O-N 3.4Å; T266-R269 VanDerWaalsContact O-N 3.16Å; T266-M284 WeakPolarHBondContact CB-O 3.48Å; T266-M284 WeakPolarHBondContact CG2-O 2.99Å; T266-M284 PolarHBondContact OG1-O 3.33Å; T266-R288 PolarHBondContact OG1-NH2 3.27Å; T266-C325 WeakPolarHBondContact O-CB 3.49Å
267V94.9Very high88Confident92 Ų9270.1 Ų70.156%0.55838%0.376SS*.THydrogen-bonded Turntrans-56.5135.3173.1178.20000109.9R269 R326V267-R269 PolarHBondContact O-N 3.47Å; V267-R326 WeakPolarHBondContact CG1-OXT 3.18Å
268G93.4Very high88.3Confident53 Ų5371.5 Ų71.555%0.54638%0.382SS..THydrogen-bonded Turntrans76.92.7179.700000114.8T266 T324 C325T266-G268 PolarHBondContact O-N 3.17Å; G268-T324 VanDerWaalsContact O-CG2 3.3Å; G268-T324 WeakPolarHBondContact O-CG2 3.06Å; G268-C325 PolarHBondContact N-O 3.37Å
269R93.9Very high88.7Confident32 Ų3268 Ų6812%0.12136%0.358CS..  trans-83.9139.5177.7-67.5-160.660.1-175.7-8.6112.6R57 R59 R60 T266 V267 M284 T324 C325R57-R269 PolarHBondContact O-NH2 3.2Å; R59-R269 VanDerWaalsContact O-CZ 3.24Å; R59-R269 PolarHBondContact O-NH1 3.25Å; R59-R269 PolarHBondContact O-NH2 3.06Å; R60-R269 VanDerWaalsContact C-NH1 3.29Å; R60-R269 PolarHBondContact O-NH1 2.99Å; T266-R269 VanDerWaalsContact O-CB 3.25Å; T266-R269 WeakPolarHBondContact O-CB 3.3Å; T266-R269 WeakPolarHBondContact O-CG 3.39Å; T266-R269 PolarHBondContact O-N 3.4Å; T266-R269 VanDerWaalsContact O-N 3.16Å; V267-R269 PolarHBondContact O-N 3.47Å; R269-M284 HydrophobicContact CB-SD 4.49Å; R269-T324 CarbonylContact O-C 3.47Å; R269-T324 WeakPolarHBondContact O-CA 3.46Å; R269-C325 PolarHBondContact O-N 2.9Å; R269-C325 PolarHBondContact O-SG 3.06Å
270Q94.3Very high89.5Confident136 Ų13658 Ų5864%0.63632%0.321SS*.EExtended strand (participates in β ladder)trans-68.1139.7171.3-67.4-177.22.700110.7I322 H323Q270-I322 HydrophobicContact CG-CG2 3.98Å; Q270-H323 CarbonylContact C-O 3.54Å; Q270-H323 VanDerWaalsContact CA-O 3.24Å; Q270-H323 WeakPolarHBondContact CA-O 3.32Å
271C95.3Very high90.5Very high15 Ų1556.4 Ų56.410%0.10131%0.311CS..EExtended strand (participates in β ladder)trans-134.4161.4177.965.80000111.3C281 M284 C285 H323C271-C281 HydrophobicContact CB-CB 3.83Å; C271-C281 WeakPolarHBondContact CB-SG 3.24Å; C271-C281 WeakPolarHBondContact SG-CA 3.11Å; C271-C281 WeakPolarHBondContact SG-CB 3.44Å; C271-C281 CovalentContact SG-SG 2.04Å; C271-C281 PolarHBondContact SG-SG 3.28Å; C271-M284 HydrophobicContact CB-CB 4.07Å; C271-M284 HydrophobicContact CB-CG 4.31Å; C271-M284 HydrophobicContact CB-SD 4.41Å; C271-C285 VanDerWaalsContact SG-SG 3.61Å; C271-H323 PolarHBondContact N-O 3.37Å
272N95.2Very high91.6Very high60 Ų6062.4 Ų62.432%0.32134%0.336SS..BIsolated β-bridgetrans-100.2114.3179.1-173.4-11.5000110.3T274 S275 D279 G280 C281N272-T274 VanDerWaalsContact C-N 3.31Å; N272-T274 PolarHBondContact O-N 2.82Å; N272-T274 PolarHBondContact OD1-N 3.28Å; N272-T274 VanDerWaalsContact OD1-N 3.13Å; N272-T274 PolarHBondContact OD1-OG1 3.3Å; N272-S275 PolarHBondContact OD1-N 3.19Å; N272-D279 WeakPolarHBondContact CB-OD2 3.46Å; N272-D279 PolarHBondContact N-O 3.39Å; N272-D279 PolarHBondContact ND2-OD2 3.27Å; N272-G280 CarbonylContact O-C 3.45Å; N272-G280 VanDerWaalsContact O-CA 3.23Å; N272-G280 WeakPolarHBondContact O-CA 3.5Å; N272-C281 VanDerWaalsContact C-SG 3.55Å; N272-C281 PolarHBondContact O-N 3.14Å
273R94.4Very high92.7Very high146 Ų14665.3 Ų65.355%0.55135%0.349SS*.SBendtrans-67.8-29.8-178.3179.5178.4175.4-169.20.5113.2F290 E321 H323R273-F290 HydrophobicContact CB-CZ 4.43Å; R273-F290 HydrophobicContact CG-CE2 4.39Å; R273-F290 HydrophobicContact CG-CZ 3.94Å; R273-E321 IonicContact NH1-OE2 3.67Å; R273-H323 VanDerWaalsContact CB-CD2 3.46Å; R273-H323 WeakPolarHBondContact CB-CD2 3.43Å; R273-H323 WeakPolarHBondContact CB-NE2 3.47Å
274T93.3Very high93.3Very high127 Ų12764.6 Ų64.678%0.77935%0.345SS*.SBendtrans-89-18.8-176.259.10000113.1N272N272-T274 VanDerWaalsContact C-N 3.31Å; N272-T274 PolarHBondContact O-N 2.82Å; N272-T274 PolarHBondContact OD1-N 3.28Å; N272-T274 VanDerWaalsContact OD1-N 3.13Å; N272-T274 PolarHBondContact OD1-OG1 3.3Å
275S94.6Very high93.8Very high28 Ų2861.6 Ų61.620%0.19633%0.33CS..  trans-77.1135178.6-176.10000111.7N272 A277 D279 G280N272-S275 PolarHBondContact OD1-N 3.19Å; S275-A277 WeakPolarHBondContact OG-CB 3.42Å; S275-A277 PolarHBondContact OG-N 3.11Å; S275-D279 WeakPolarHBondContact CB-OD1 3.43Å; S275-D279 WeakPolarHBondContact CB-OD2 3.42Å; S275-D279 VanDerWaalsContact OG-CG 3.31Å; S275-D279 PolarHBondContact OG-OD1 2.97Å; S275-D279 PolarHBondContact OG-OD2 3.38Å; S275-G280 WeakPolarHBondContact O-CA 3.36Å
276K91.4Very high94Very high201 Ų20162.9 Ų62.987%0.87434%0.337SS*.  trans-94-1167.1-60.3-173.3179.5-176.40112.7
277A91.6Very high94Very high55 Ų5566 Ų6646%0.45537%0.37SS..SBendtrans-88.1-169.6178.200000110.7S275 D279 G280S275-A277 WeakPolarHBondContact OG-CB 3.42Å; S275-A277 PolarHBondContact OG-N 3.11Å; A277-D279 PolarHBondContact O-N 3.37Å; A277-G280 WeakPolarHBondContact O-CA 3.4Å; A277-G280 PolarHBondContact O-N 2.88Å
278I90Very high94Very high63 Ų6365.1 Ų65.132%0.32336%0.356SS..THydrogen-bonded Turntrans-66.8-22.8-169.7-57.4167.8000112.9
279D91.8Very high94.1Very high34 Ų3464 Ų6418%0.18234%0.344CS..THydrogen-bonded Turntrans-76.8-11171.168-49.2000113.2N58 N272 S275 A277N58-D279 HydrophobicContact CB-CB 3.93Å; N272-D279 WeakPolarHBondContact CB-OD2 3.46Å; N272-D279 PolarHBondContact N-O 3.39Å; N272-D279 PolarHBondContact ND2-OD2 3.27Å; S275-D279 WeakPolarHBondContact CB-OD1 3.43Å; S275-D279 WeakPolarHBondContact CB-OD2 3.42Å; S275-D279 VanDerWaalsContact OG-CG 3.31Å; S275-D279 PolarHBondContact OG-OD1 2.97Å; S275-D279 PolarHBondContact OG-OD2 3.38Å; A277-D279 PolarHBondContact O-N 3.37Å
280G95.9Very high94.2Very high1 Ų165.3 Ų65.31%0.0135%0.351CS..BIsolated β-bridgetrans-61.3140.9177.700000112.7N272 S275 A277 E282 L283 M284N272-G280 CarbonylContact O-C 3.45Å; N272-G280 VanDerWaalsContact O-CA 3.23Å; N272-G280 WeakPolarHBondContact O-CA 3.5Å; S275-G280 WeakPolarHBondContact O-CA 3.36Å; A277-G280 WeakPolarHBondContact O-CA 3.4Å; A277-G280 PolarHBondContact O-N 2.88Å; G280-E282 PolarHBondContact O-N 2.66Å; G280-L283 PolarHBondContact O-N 2.83Å; G280-L283 VanDerWaalsContact O-N 3.16Å; G280-M284 WeakPolarHBondContact O-CB 3.34Å; G280-M284 PolarHBondContact O-N 3.16Å
281C95.7Very high94.3Very high6 Ų663.8 Ų63.84%0.04134%0.344CS..Hα-helixtrans-59.7-32.1-178.9-67.50000114.1C271 N272 C285 F290C271-C281 HydrophobicContact CB-CB 3.83Å; C271-C281 WeakPolarHBondContact CB-SG 3.24Å; C271-C281 WeakPolarHBondContact SG-CA 3.11Å; C271-C281 WeakPolarHBondContact SG-CB 3.44Å; C271-C281 CovalentContact SG-SG 2.04Å; C271-C281 PolarHBondContact SG-SG 3.28Å; N272-C281 VanDerWaalsContact C-SG 3.55Å; N272-C281 PolarHBondContact O-N 3.14Å; C281-C285 WeakPolarHBondContact O-CB 3.06Å; C281-C285 PolarHBondContact O-N 3.02Å; C281-C285 PolarHBondContact O-SG 2.56Å; C281-F290 HydrophobicContact CB-CD1 3.43Å; C281-F290 VanDerWaalsContact CB-CD1 3.43Å; C281-F290 HydrophobicContact CB-CE1 3.62Å; C281-F290 HydrophobicContact CB-CG 4.06Å; C281-F290 HydrophobicContact CB-CZ 4.39Å
282E93.9Very high94.3Very high164 Ų16465.8 Ų65.877%0.76636%0.356SS*.Hα-helixtrans-61.2-47.5175.8-174.3176.8-178.800111.8G280 C286 G287G280-E282 PolarHBondContact O-N 2.66Å; E282-C286 PolarHBondContact O-N 3.38Å; E282-G287 PolarHBondContact O-N 2.03Å
283L93.8Very high94.3Very high69 Ų6967.3 Ų67.336%0.36136%0.361SS..Hα-helixtrans-81.8-41.6-178-67.9179.2000112.6R60 G280 C286R60-L283 VanDerWaalsContact CZ-O 3.23Å; R60-L283 PolarHBondContact NE-O 2.68Å; R60-L283 PolarHBondContact NH2-O 3.36Å; G280-L283 PolarHBondContact O-N 2.83Å; G280-L283 VanDerWaalsContact O-N 3.16Å; L283-C286 PolarHBondContact O-N 2.61Å
284M95.4Very high94.4Very high2 Ų266.9 Ų66.91%0.0137%0.365CS..Hα-helixtrans-68.2-39.1-178.7-174.4146.3-70.800112N58 T266 R269 C271 G280 C286N58-M284 VanDerWaalsContact C-CE 3.42Å; N58-M284 WeakPolarHBondContact O-CE 3.27Å; T266-M284 WeakPolarHBondContact CB-O 3.48Å; T266-M284 WeakPolarHBondContact CG2-O 2.99Å; T266-M284 PolarHBondContact OG1-O 3.33Å; R269-M284 HydrophobicContact CB-SD 4.49Å; C271-M284 HydrophobicContact CB-CB 4.07Å; C271-M284 HydrophobicContact CB-CG 4.31Å; C271-M284 HydrophobicContact CB-SD 4.41Å; G280-M284 WeakPolarHBondContact O-CB 3.34Å; G280-M284 PolarHBondContact O-N 3.16Å; M284-C286 VanDerWaalsContact C-N 3.31Å
285C96.3Very high94.4Very high0 Ų063.2 Ų63.20%034%0.343CS..THydrogen-bonded Turntrans-90.35.5-178.3-47.50000113.5C271 C281 G287 R288 G289 C325C271-C285 VanDerWaalsContact SG-SG 3.61Å; C281-C285 WeakPolarHBondContact O-CB 3.06Å; C281-C285 PolarHBondContact O-N 3.02Å; C281-C285 PolarHBondContact O-SG 2.56Å; C285-G287 PolarHBondContact O-N 3.5Å; C285-G287 VanDerWaalsContact O-N 3.15Å; C285-R288 WeakPolarHBondContact O-CB 3.47Å; C285-R288 PolarHBondContact O-N 2.8Å; C285-G289 WeakPolarHBondContact CB-O 3.3Å; C285-C325 WeakPolarHBondContact CA-SG 3.24Å; C285-C325 HydrophobicContact CB-CB 3.58Å; C285-C325 WeakPolarHBondContact CB-SG 3.12Å; C285-C325 PolarHBondContact N-SG 3.47Å; C285-C325 WeakPolarHBondContact SG-CA 3.15Å; C285-C325 WeakPolarHBondContact SG-CB 3.47Å; C285-C325 CovalentContact SG-SG 2.04Å; C285-C325 PolarHBondContact SG-SG 3.42Å
286C95.4Very high94.4Very high37 Ų3766.4 Ų66.425%0.2535%0.354CS..THydrogen-bonded Turntrans54.937.1173.6-50.80000113.3C254 E282 L283 M284 R288C254-C286 VanDerWaalsContact CA-SG 3.5Å; C254-C286 HydrophobicContact CB-CB 3.7Å; C254-C286 WeakPolarHBondContact CB-SG 3.35Å; C254-C286 WeakPolarHBondContact SG-CB 3.4Å; C254-C286 CovalentContact SG-SG 2.01Å; C254-C286 PolarHBondContact SG-SG 2.7Å; E282-C286 PolarHBondContact O-N 3.38Å; L283-C286 PolarHBondContact O-N 2.61Å; M284-C286 VanDerWaalsContact C-N 3.31Å; C286-R288 PolarHBondContact O-N 2.79Å
287G93.7Very high94.5Very high66 Ų6659.3 Ų59.368%0.6833%0.328SS*.THydrogen-bonded Turntrans75-3.6-178.200000116.3E282 C285 G289E282-G287 PolarHBondContact O-N 2.03Å; C285-G287 PolarHBondContact O-N 3.5Å; C285-G287 VanDerWaalsContact O-N 3.15Å; G287-G289 PolarHBondContact O-N 3.08Å
288R95Very high94.7Very high73 Ų7360.3 Ų60.328%0.27533%0.328SS..SBendtrans-71.3-8179.2-59.6-171.7-60.8-95.3-10.3114.1C254 D255 T266 C285 C286 R326C254-R288 PolarHBondContact O-NH1 2.92Å; D255-R288 IonicContact OD1-NH1 3.01Å; D255-R288 PolarHBondContact OD1-NH1 3.17Å; T266-R288 PolarHBondContact OG1-NH2 3.27Å; C285-R288 WeakPolarHBondContact O-CB 3.47Å; C285-R288 PolarHBondContact O-N 2.8Å; C286-R288 PolarHBondContact O-N 2.79Å; R288-R326 PolarHBondContact NE-O 3.47Å; R288-R326 PolarHBondContact NH2-O 2.68Å
289G94.8Very high94.9Very high29 Ų2961.2 Ų61.230%0.29933%0.334SS..  trans79.2-177-172.800000112.8C285 G287 R326C285-G289 WeakPolarHBondContact CB-O 3.3Å; G287-G289 PolarHBondContact O-N 3.08Å; G289-R326 PolarHBondContact O-N 2.96Å; G289-R326 VanDerWaalsContact O-N 3.17Å
290F96.6Very high95Very high59 Ų5967.4 Ų67.426%0.25935%0.354SS..EExtended strand (participates in β ladder)trans-141.1161-176.957.1-86.4000111.1R273 C281 H323 T324 R326R273-F290 HydrophobicContact CB-CZ 4.43Å; R273-F290 HydrophobicContact CG-CE2 4.39Å; R273-F290 HydrophobicContact CG-CZ 3.94Å; C281-F290 HydrophobicContact CB-CD1 3.43Å; C281-F290 VanDerWaalsContact CB-CD1 3.43Å; C281-F290 HydrophobicContact CB-CE1 3.62Å; C281-F290 HydrophobicContact CB-CG 4.06Å; C281-F290 HydrophobicContact CB-CZ 4.39Å; F290-H323 HydrophobicContact CD2-CB 3.72Å; F290-H323 AromaticContact CD2-ND1 3.93Å; F290-H323 HydrophobicContact CE2-CB 4.17Å; F290-H323 AromaticContact CE2-ND1 3.67Å; F290-H323 HydrophobicContact CG-CB 4.41Å; F290-T324 CarbonylContact C-O 3.48Å; F290-T324 WeakPolarHBondContact CA-O 3.3Å; F290-T324 VanDerWaalsContact CB-O 3.3Å; F290-T324 WeakPolarHBondContact CB-O 3.18Å; F290-R326 PolarHBondContact O-NE 3.16Å; F290-R326 PolarHBondContact O-NH2 3.15Å
291Q96.6Very high95Very high105 Ų10568.7 Ų68.749%0.49136%0.363SS..EExtended strand (participates in β ladder)trans-100.6135.6168.2-175.2177.83.800108.8Q293 H323 T324Q291-Q293 HydrophobicContact CG-CG 4.28Å; Q291-H323 CarbonylContact O-C 3.55Å; Q291-H323 VanDerWaalsContact O-CA 3.32Å; Q291-H323 WeakPolarHBondContact O-CA 3.04Å; Q291-T324 PolarHBondContact N-O 2.8Å; Q291-T324 PolarHBondContact O-N 2.8Å
292T96.1Very high95Very high56 Ų5672.4 Ų72.434%0.34439%0.389SS..EExtended strand (participates in β ladder)trans-101.3133.1170.8-58.30000108.9E321 I322 H323T292-E321 HydrophobicContact CG2-CB 3.99Å; T292-E321 HydrophobicContact CG2-CG 4.1Å; T292-I322 WeakPolarHBondContact CA-O 3.45Å; T292-H323 PolarHBondContact OG1-ND1 3.44Å
293Q94.7Very high95.1Very high93 Ų9368 Ų6844%0.43538%0.375SS..EExtended strand (participates in β ladder)trans-128.9133.3172.7-64.3-178.71.200108.8Q291 V295 I322Q291-Q293 HydrophobicContact CG-CG 4.28Å; Q293-V295 HydrophobicContact CB-CG2 4.34Å; Q293-I322 PolarHBondContact N-O 3.41Å; Q293-I322 PolarHBondContact O-N 3.41Å
294E95.3Very high95.1Very high136 Ų13671.7 Ų71.764%0.63639%0.388SS*.EExtended strand (participates in β ladder)trans-83.6121.8168.5-73.9-169.1166.600109.3M319 V320 E321E294-M319 HydrophobicContact CB-CE 3.83Å; E294-V320 WeakPolarHBondContact CA-O 3.38Å; E294-E321 HydrophobicContact CG-CG 4.24Å
295V93.8Very high95.1Very high51 Ų5177.9 Ų77.931%0.30942%0.415SS..EExtended strand (participates in β ladder)trans-122.7133.9-178.4-176.20000109.2Q293 V297 V320 I322Q293-V295 HydrophobicContact CB-CG2 4.34Å; V295-V297 PolarHBondContact O-N 2.82Å; V295-V320 PolarHBondContact N-O 3.04Å; V295-V320 PolarHBondContact O-N 3Å; V295-I322 HydrophobicContact CB-CD1 3.97Å; V295-I322 HydrophobicContact CB-CG1 4.44Å; V295-I322 HydrophobicContact CG1-CD1 4.43Å; V295-I322 HydrophobicContact CG2-CD1 3.88Å; V295-I322 HydrophobicContact CG2-CG1 4.28Å
296E95.3Very high94.9Very high95 Ų9581 Ų8144%0.44443%0.43SS..EExtended strand (participates in β ladder)trans-74.8112.5170.6-171.6178.8-12400109.1R317 M319E296-R317 VanDerWaalsContact CD-CD 3.49Å; E296-R317 HydrophobicContact CG-CB 3.99Å; E296-R317 WeakPolarHBondContact OE1-CB 3.49Å; E296-R317 WeakPolarHBondContact OE1-CD 3.1Å; E296-R317 IonicContact OE1-NH1 3.91Å; E296-R317 IonicContact OE2-NH1 3.33Å; E296-R317 PolarHBondContact OE2-NH1 3.11Å; E296-M319 HydrophobicContact CB-SD 3.73Å; E296-M319 HydrophobicContact CG-SD 4.21Å
297V93.6Very high94.5Very high52 Ų5290.6 Ų90.632%0.31546%0.461SS..EExtended strand (participates in β ladder)trans-102127.2173.7173.70000109V295 K318 V320V295-V297 PolarHBondContact O-N 2.82Å; V297-K318 HydrophobicContact CB-CG 4.45Å; V297-K318 PolarHBondContact N-O 2.88Å; V297-K318 PolarHBondContact O-N 2.94Å; V297-V320 HydrophobicContact CB-CG2 4.15Å; V297-V320 HydrophobicContact CG2-CG2 3.42Å; V297-V320 VanDerWaalsContact CG2-CG2 3.42Å
298V94.9Very high93.8Very high75 Ų7591.7 Ų91.746%0.45546%0.457SS..EExtended strand (participates in β ladder)trans-93.5121173.7-171.70000108.8Q315 C316 R317V298-Q315 HydrophobicContact CG1-CB 3.93Å; V298-Q315 HydrophobicContact CG1-CG 4.19Å; V298-C316 WeakPolarHBondContact CA-O 3.36Å; V298-R317 HydrophobicContact CG2-CG 4.26Å
299D94.3Very high93.6Very high83 Ų8393.8 Ų93.844%0.44448%0.482SS..EExtended strand (participates in β ladder)trans-126.4157.6179.9-162.10.1000110.9C301 C316 K318D299-C301 PolarHBondContact O-N 3.07Å; D299-C316 PolarHBondContact N-O 3.1Å; D299-C316 PolarHBondContact O-N 3.4Å; D299-K318 IonicContact OD2-NZ 3.37Å; D299-K318 PolarHBondContact OD2-NZ 2.97Å
300R94.7Very high93.5Very high164 Ų16498.1 Ų98.162%0.61949%0.49SS*.EExtended strand (participates in β ladder)trans-84.9114.4176.4-64.3-176.274.8172.11.5109C313 K314R300-C313 HydrophobicContact CB-CB 3.92Å; R300-C313 HydrophobicContact CG-CB 4.49Å; R300-K314 WeakPolarHBondContact CA-O 3.23Å
301C94.8Very high93.4Very high27 Ų2799 Ų9918%0.18250%0.5CS..EExtended strand (participates in β ladder)trans-123.6167.7-176.465.70000111.5D299 C303 K314 C316D299-C301 PolarHBondContact O-N 3.07Å; C301-C303 PolarHBondContact O-N 3.12Å; C301-C303 VanDerWaalsContact O-N 3.09Å; C301-K314 PolarHBondContact N-O 2.84Å; C301-K314 PolarHBondContact O-N 3.43Å; C301-K314 PolarHBondContact SG-O 3.42Å; C301-C316 HydrophobicContact CB-CB 3.57Å; C301-C316 WeakPolarHBondContact CB-SG 3.47Å; C301-C316 WeakPolarHBondContact SG-CB 3.04Å; C301-C316 PolarHBondContact SG-N 2.84Å; C301-C316 VanDerWaalsContact SG-N 3.41Å; C301-C316 CovalentContact SG-SG 1.99Å; C301-C316 PolarHBondContact SG-SG 3.44Å
302S95.3Very high93.4Very high85 Ų85100.7 Ų100.759%0.59451%0.506SS*.EExtended strand (participates in β ladder)trans4842.9175.3-53.70000112.7K304S302-K304 PolarHBondContact O-N 3.33Å
303C95.8Very high93.4Very high70 Ų7099.4 Ų99.447%0.47350%0.499SS..EExtended strand (participates in β ladder)trans-66.4123.7-178.5-65.40000110.5C301 V311 K312 C313C301-C303 PolarHBondContact O-N 3.12Å; C301-C303 VanDerWaalsContact O-N 3.09Å; C303-V311 HydrophobicContact CB-CG1 3.77Å; C303-K312 WeakPolarHBondContact CA-O 3.24Å; C303-C313 HydrophobicContact CB-CB 4.09Å; C303-C313 WeakPolarHBondContact CB-SG 3.03Å; C303-C313 WeakPolarHBondContact SG-CB 3.46Å; C303-C313 CovalentContact SG-SG 2.04Å; C303-C313 PolarHBondContact SG-SG 2.03Å
304K94.9Very high93.5Very high147 Ų147102 Ų10264%0.63951%0.508SS*.EExtended strand (participates in β ladder)trans-110.9127174.2-65.5-171.8177.9-171.30109.4S302 H306 K312S302-K304 PolarHBondContact O-N 3.33Å; K304-H306 PolarHBondContact O-CD2 2.83Å; K304-K312 PolarHBondContact N-O 2.81Å; K304-K312 PolarHBondContact O-N 2.93Å
305F95.3Very high93.6Very high132 Ų132102.9 Ų102.958%0.57951%0.513SS*.EExtended strand (participates in β ladder)trans-75.7127.9168.9179.5-102.4000109W307 V311F305-W307 HydrophobicContact CE1-CB 4.33Å; F305-V311 HydrophobicContact CD2-CG2 4.02Å
306H93.1Very high93.7Very high67 Ų67102.9 Ų102.931%0.3152%0.515SS..EExtended strand (participates in β ladder)trans-101.7117.9171.1-70-93.6000107.9K304 C308 C309 Y310K304-H306 PolarHBondContact O-CD2 2.83Å; H306-C308 CarbonylContact O-C 3.54Å; H306-C308 PolarHBondContact O-N 2.94Å; H306-C309 PolarHBondContact O-N 2.03Å; H306-Y310 HydrophobicContact CB-CD1 4.28Å; H306-Y310 HydrophobicContact CB-CD2 4.14Å; H306-Y310 HydrophobicContact CB-CE1 3.84Å; H306-Y310 HydrophobicContact CB-CE2 3.66Å; H306-Y310 HydrophobicContact CB-CG 4.41Å; H306-Y310 VanDerWaalsContact CB-CZ 3.49Å; H306-Y310 AromaticContact CD2-CE2 3.48Å; H306-Y310 VanDerWaalsContact CD2-CE2 3.48Å; H306-Y310 WeakPolarHBondContact CD2-CE2 3.03Å; H306-Y310 AromaticContact CG-CE2 3.57Å; H306-Y310 AromaticContact CG-CZ 3.67Å; H306-Y310 PolarHBondContact N-O 2.9Å
307W86.2Confident93.7Very high238 Ų238106.5 Ų106.590%0.90252%0.524SS*.THydrogen-bonded Turntrans-61.1122.6174.2-166.387.7000108.2F305F305-W307 HydrophobicContact CE1-CB 4.33Å
308C79.1Confident93.7Very high88 Ų88108.7 Ų108.760%0.59553%0.529SS*.THydrogen-bonded Turntrans104.720.1-150.282.40000116.4H306 Y310H306-C308 CarbonylContact O-C 3.54Å; H306-C308 PolarHBondContact O-N 2.94Å; C308-Y310 VanDerWaalsContact SG-CE1 3.58Å
309C89.9Confident93.7Very high118 Ų118110.2 Ų110.280%0.79753%0.533SS*.THydrogen-bonded Turntrans7927.9152.9-53.10000117.7H306H306-C309 PolarHBondContact O-N 2.03Å
310Y92.9Very high93.7Very high120 Ų120108.5 Ų108.547%0.47153%0.525SS..EExtended strand (participates in β ladder)trans-133.9151.3168.867.5-88.6000112.6H306 C308 K312H306-Y310 HydrophobicContact CB-CD1 4.28Å; H306-Y310 HydrophobicContact CB-CD2 4.14Å; H306-Y310 HydrophobicContact CB-CE1 3.84Å; H306-Y310 HydrophobicContact CB-CE2 3.66Å; H306-Y310 HydrophobicContact CB-CG 4.41Å; H306-Y310 VanDerWaalsContact CB-CZ 3.49Å; H306-Y310 AromaticContact CD2-CE2 3.48Å; H306-Y310 VanDerWaalsContact CD2-CE2 3.48Å; H306-Y310 WeakPolarHBondContact CD2-CE2 3.03Å; H306-Y310 AromaticContact CG-CE2 3.57Å; H306-Y310 AromaticContact CG-CZ 3.67Å; H306-Y310 PolarHBondContact N-O 2.9Å; C308-Y310 VanDerWaalsContact SG-CE1 3.58Å; Y310-K312 HydrophobicContact CD2-CB 4.47Å; Y310-K312 HydrophobicContact CE2-CB 4.33Å
311V95.5Very high93.7Very high77 Ų77105.4 Ų105.447%0.46752%0.518SS..EExtended strand (participates in β ladder)trans-105.6119.5174.6-179.50000108.4C303 F305C303-V311 HydrophobicContact CB-CG1 3.77Å; F305-V311 HydrophobicContact CD2-CG2 4.02Å
312K95.6Very high93.7Very high140 Ų140106 Ų10661%0.60952%0.519SS*.EExtended strand (participates in β ladder)trans-99.5117.4173.3-167.9172.9-178174.40108.7C303 K304 Y310C303-K312 WeakPolarHBondContact CA-O 3.24Å; K304-K312 PolarHBondContact N-O 2.81Å; K304-K312 PolarHBondContact O-N 2.93Å; Y310-K312 HydrophobicContact CD2-CB 4.47Å; Y310-K312 HydrophobicContact CE2-CB 4.33Å
313C97Very high93.8Very high30 Ų30102.9 Ų102.920%0.20350%0.495CS..EExtended strand (participates in β ladder)trans-110.5153.2174.7-530000109.8R300 C303R300-C313 HydrophobicContact CB-CB 3.92Å; R300-C313 HydrophobicContact CG-CB 4.49Å; C303-C313 HydrophobicContact CB-CB 4.09Å; C303-C313 WeakPolarHBondContact CB-SG 3.03Å; C303-C313 WeakPolarHBondContact SG-CB 3.46Å; C303-C313 CovalentContact SG-SG 2.04Å; C303-C313 PolarHBondContact SG-SG 2.03Å
314K96.6Very high93.8Very high146 Ų146101 Ų10164%0.63548%0.482SS*.EExtended strand (participates in β ladder)trans-85.5154.2165.6-63.7-177.5179.5-176.60109R300 C301R300-K314 WeakPolarHBondContact CA-O 3.23Å; C301-K314 PolarHBondContact N-O 2.84Å; C301-K314 PolarHBondContact O-N 3.43Å; C301-K314 PolarHBondContact SG-O 3.42Å
315Q96.4Very high93.9Very high155 Ų15594.3 Ų94.372%0.72445%0.453SS*.EExtended strand (participates in β ladder)trans-85.7116165-72.4-178.3-18.400107.7V298V298-Q315 HydrophobicContact CG1-CB 3.93Å; V298-Q315 HydrophobicContact CG1-CG 4.19Å
316C95.7Very high93.8Very high52 Ų5296.6 Ų96.635%0.35146%0.457SS..EExtended strand (participates in β ladder)trans-100.6137.7170.1-77.10000109V298 D299 C301V298-C316 WeakPolarHBondContact CA-O 3.36Å; D299-C316 PolarHBondContact N-O 3.1Å; D299-C316 PolarHBondContact O-N 3.4Å; C301-C316 HydrophobicContact CB-CB 3.57Å; C301-C316 WeakPolarHBondContact CB-SG 3.47Å; C301-C316 WeakPolarHBondContact SG-CB 3.04Å; C301-C316 PolarHBondContact SG-N 2.84Å; C301-C316 VanDerWaalsContact SG-N 3.41Å; C301-C316 CovalentContact SG-SG 1.99Å; C301-C316 PolarHBondContact SG-SG 3.44Å
317R95.8Very high93.9Very high170 Ų17098.1 Ų98.164%0.64247%0.465SS*.EExtended strand (participates in β ladder)trans-102.8131.9172.5-51.1-169.3-175.6-168.90.6108E296 V298E296-R317 VanDerWaalsContact CD-CD 3.49Å; E296-R317 HydrophobicContact CG-CB 3.99Å; E296-R317 WeakPolarHBondContact OE1-CB 3.49Å; E296-R317 WeakPolarHBondContact OE1-CD 3.1Å; E296-R317 IonicContact OE1-NH1 3.91Å; E296-R317 IonicContact OE2-NH1 3.33Å; E296-R317 PolarHBondContact OE2-NH1 3.11Å; V298-R317 HydrophobicContact CG2-CG 4.26Å
318K94.4Very high94.3Very high98 Ų9890.7 Ų90.743%0.42644%0.442SS..EExtended strand (participates in β ladder)trans-132.7136.3174.859.3-178.6-177-163.60108.9V297 D299 V320V297-K318 HydrophobicContact CB-CG 4.45Å; V297-K318 PolarHBondContact N-O 2.88Å; V297-K318 PolarHBondContact O-N 2.94Å; D299-K318 IonicContact OD2-NZ 3.37Å; D299-K318 PolarHBondContact OD2-NZ 2.97Å; K318-V320 HydrophobicContact CD-CG1 4.15Å; K318-V320 HydrophobicContact CG-CG1 4.05Å
319M95.1Very high95.1Very high108 Ų10890.8 Ų90.853%0.53243%0.433SS..EExtended strand (participates in β ladder)trans-77.2127.8168-63.6-56.3-64.100108.1E294 E296E294-M319 HydrophobicContact CB-CE 3.83Å; E296-M319 HydrophobicContact CB-SD 3.73Å; E296-M319 HydrophobicContact CG-SD 4.21Å
320V94.1Very high95.4Very high47 Ų4789.2 Ų89.229%0.28541%0.412SS..EExtended strand (participates in β ladder)trans-127.9142.3174.1-62.50000109.9E294 V295 V297 K318 I322E294-V320 WeakPolarHBondContact CA-O 3.38Å; V295-V320 PolarHBondContact N-O 3.04Å; V295-V320 PolarHBondContact O-N 3Å; V297-V320 HydrophobicContact CB-CG2 4.15Å; V297-V320 HydrophobicContact CG2-CG2 3.42Å; V297-V320 VanDerWaalsContact CG2-CG2 3.42Å; K318-V320 HydrophobicContact CD-CG1 4.15Å; K318-V320 HydrophobicContact CG-CG1 4.05Å; V320-I322 HydrophobicContact CG2-CG1 4.3Å
321E94.4Very high95.6Very high98 Ų9887.3 Ų87.346%0.45841%0.408SS..EExtended strand (participates in β ladder)trans-78.5124.9169.3-65.7-170.7158.800109.5R273 T292 E294 H323R273-E321 IonicContact NH1-OE2 3.67Å; T292-E321 HydrophobicContact CG2-CB 3.99Å; T292-E321 HydrophobicContact CG2-CG 4.1Å; E294-E321 HydrophobicContact CG-CG 4.24Å; E321-H323 IonicContact OE2-CE1 2.62Å; E321-H323 PolarHBondContact OE2-CE1 3.42Å; E321-H323 IonicContact OE2-NE2 2.71Å
322I95Very high95.6Very high41 Ų4188 Ų8821%0.2140%0.404CS..EExtended strand (participates in β ladder)trans-108.7127.1169.7-59.3-176.8000107.8Q270 T292 Q293 V295 V320Q270-I322 HydrophobicContact CG-CG2 3.98Å; T292-I322 WeakPolarHBondContact CA-O 3.45Å; Q293-I322 PolarHBondContact N-O 3.41Å; Q293-I322 PolarHBondContact O-N 3.41Å; V295-I322 HydrophobicContact CB-CD1 3.97Å; V295-I322 HydrophobicContact CB-CG1 4.44Å; V295-I322 HydrophobicContact CG1-CD1 4.43Å; V295-I322 HydrophobicContact CG2-CD1 3.88Å; V295-I322 HydrophobicContact CG2-CG1 4.28Å; V320-I322 HydrophobicContact CG2-CG1 4.3Å
323H96.3Very high95.6Very high19 Ų1984.3 Ų84.39%0.08839%0.39CS..EExtended strand (participates in β ladder)trans-105.7129.2178.1-48.3-65.9000109.8Q270 C271 R273 F290 Q291 T292 E321Q270-H323 CarbonylContact C-O 3.54Å; Q270-H323 VanDerWaalsContact CA-O 3.24Å; Q270-H323 WeakPolarHBondContact CA-O 3.32Å; C271-H323 PolarHBondContact N-O 3.37Å; R273-H323 VanDerWaalsContact CB-CD2 3.46Å; R273-H323 WeakPolarHBondContact CB-CD2 3.43Å; R273-H323 WeakPolarHBondContact CB-NE2 3.47Å; F290-H323 HydrophobicContact CD2-CB 3.72Å; F290-H323 AromaticContact CD2-ND1 3.93Å; F290-H323 HydrophobicContact CE2-CB 4.17Å; F290-H323 AromaticContact CE2-ND1 3.67Å; F290-H323 HydrophobicContact CG-CB 4.41Å; Q291-H323 CarbonylContact O-C 3.55Å; Q291-H323 VanDerWaalsContact O-CA 3.32Å; Q291-H323 WeakPolarHBondContact O-CA 3.04Å; T292-H323 PolarHBondContact OG1-ND1 3.44Å; E321-H323 IonicContact OE2-CE1 2.62Å; E321-H323 PolarHBondContact OE2-CE1 3.42Å; E321-H323 IonicContact OE2-NE2 2.71Å
324T96.3Very high95.5Very high31 Ų3188.5 Ų88.519%0.1940%0.404CS..EExtended strand (participates in β ladder)trans-129131-175.7-53.80000110.5G268 R269 F290 Q291G268-T324 VanDerWaalsContact O-CG2 3.3Å; G268-T324 WeakPolarHBondContact O-CG2 3.06Å; R269-T324 CarbonylContact O-C 3.47Å; R269-T324 WeakPolarHBondContact O-CA 3.46Å; F290-T324 CarbonylContact C-O 3.48Å; F290-T324 WeakPolarHBondContact CA-O 3.3Å; F290-T324 VanDerWaalsContact CB-O 3.3Å; F290-T324 WeakPolarHBondContact CB-O 3.18Å; Q291-T324 PolarHBondContact N-O 2.8Å; Q291-T324 PolarHBondContact O-N 2.8Å
325C96.4Very high95.4Very high5 Ų583.7 Ų83.73%0.03439%0.385CS..EExtended strand (participates in β ladder)trans-62.8140-179.5-63.20000112.6T266 G268 R269 C285T266-C325 WeakPolarHBondContact O-CB 3.49Å; G268-C325 PolarHBondContact N-O 3.37Å; R269-C325 PolarHBondContact O-N 2.9Å; R269-C325 PolarHBondContact O-SG 3.06Å; C285-C325 WeakPolarHBondContact CA-SG 3.24Å; C285-C325 HydrophobicContact CB-CB 3.58Å; C285-C325 WeakPolarHBondContact CB-SG 3.12Å; C285-C325 PolarHBondContact N-SG 3.47Å; C285-C325 WeakPolarHBondContact SG-CA 3.15Å; C285-C325 WeakPolarHBondContact SG-CB 3.47Å; C285-C325 CovalentContact SG-SG 2.04Å; C285-C325 PolarHBondContact SG-SG 3.42Å
326R94.5Very high95.3Very high180 Ų18077.2 Ų77.268%0.67935%0.354SS*.  trans-77.30170.2-62.3-179.6-170.9-178.41.9111.7V267 R288 G289 F290V267-R326 WeakPolarHBondContact CG1-OXT 3.18Å; R288-R326 PolarHBondContact NE-O 3.47Å; R288-R326 PolarHBondContact NH2-O 2.68Å; G289-R326 PolarHBondContact O-N 2.96Å; G289-R326 VanDerWaalsContact O-N 3.17Å; F290-R326 PolarHBondContact O-NE 3.16Å; F290-R326 PolarHBondContact O-NH2 3.15Å

Retrieved 326 of 326 residues in 466.4 ms (Link to these results)

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