A0A087YJV8_POEFO Loading...

E3 ubiquitin-protein ligase RNF25

AlphaFold DB , UniProt , Accession A0A087YJV8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 446 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
1M52.4Low79Confident189 Ų18970.9 Ų70.993%0.93140%0.403SS*.  0-81.70-70.4-81-11600108.9E4 S5M1-E4 PolarHBondContact N-OE2 2.99Å; M1-S5 WeakPolarHBondContact O-CB 3.29Å; M1-S5 PolarHBondContact O-N 3.45Å
2A61.1Low80.2Confident69 Ų6972.8 Ų72.857%0.5741%0.406SS*.Hα-helixtrans-60.5-65.1179.200000113E4 S5 E6A2-E4 VanDerWaalsContact C-N 3.32Å; A2-E4 PolarHBondContact O-N 3Å; A2-S5 WeakPolarHBondContact O-CA 3.41Å; A2-S5 VanDerWaalsContact O-CB 3.32Å; A2-S5 WeakPolarHBondContact O-CB 3.48Å; A2-S5 PolarHBondContact O-N 3.42Å; A2-E6 PolarHBondContact O-N 3.17Å
3A64.6Low81.3Confident45 Ų4573.9 Ų73.937%0.37242%0.416SS..Hα-helixtrans-55.7-41.7178.400000113.3S5 E6 V7A3-S5 VanDerWaalsContact C-N 3.26Å; A3-S5 PolarHBondContact O-N 3.37Å; A3-E6 WeakPolarHBondContact O-CB 3.33Å; A3-E6 PolarHBondContact O-N 3.25Å; A3-E6 VanDerWaalsContact O-N 3.12Å; A3-V7 WeakPolarHBondContact O-CG2 3.45Å; A3-V7 PolarHBondContact O-N 3.43Å
4E70.2Confident82.3Confident121 Ų12168.7 Ų68.757%0.56539%0.386SS*.Hα-helixtrans-58.2-36.5174.6-68174.6111.700112.7M1 A2 Q8M1-E4 PolarHBondContact N-OE2 2.99Å; A2-E4 VanDerWaalsContact C-N 3.32Å; A2-E4 PolarHBondContact O-N 3Å; E4-Q8 WeakPolarHBondContact O-CB 3.35Å; E4-Q8 PolarHBondContact O-N 2.64Å
5S77.9Confident83.1Confident78 Ų7869.7 Ų69.755%0.54539%0.387SS..Hα-helixtrans-73.7-34.1175.8-1690000112.5M1 A2 A3 S9M1-S5 WeakPolarHBondContact O-CB 3.29Å; M1-S5 PolarHBondContact O-N 3.45Å; A2-S5 WeakPolarHBondContact O-CA 3.41Å; A2-S5 VanDerWaalsContact O-CB 3.32Å; A2-S5 WeakPolarHBondContact O-CB 3.48Å; A2-S5 PolarHBondContact O-N 3.42Å; A3-S5 VanDerWaalsContact C-N 3.26Å; A3-S5 PolarHBondContact O-N 3.37Å; S5-S9 WeakPolarHBondContact O-CB 3.36Å; S5-S9 PolarHBondContact O-N 3.19Å; S5-S9 PolarHBondContact O-OG 3.13Å
6E85.6Confident83.8Confident90 Ų9071.1 Ų71.142%0.42140%0.403SS..Hα-helixtrans-65.4-50.1175-69.3158.2-157.200110.1A2 A3 Q8 S9 E10A2-E6 PolarHBondContact O-N 3.17Å; A3-E6 WeakPolarHBondContact O-CB 3.33Å; A3-E6 PolarHBondContact O-N 3.25Å; A3-E6 VanDerWaalsContact O-N 3.12Å; E6-Q8 PolarHBondContact O-N 3.47Å; E6-S9 PolarHBondContact O-N 3.28Å; E6-S9 VanDerWaalsContact O-N 3.16Å; E6-S9 PolarHBondContact O-OG 2.9Å; E6-E10 PolarHBondContact O-N 3.24Å
7V88Confident84.3Confident9 Ų971.8 Ų71.86%0.05540%0.404CS..Hα-helixtrans-61.9-42.4177.31780000111.6A3 E10 I11 L59 Y63A3-V7 WeakPolarHBondContact O-CG2 3.45Å; A3-V7 PolarHBondContact O-N 3.43Å; V7-E10 PolarHBondContact O-N 3.38Å; V7-I11 HydrophobicContact CG1-CD1 4.02Å; V7-I11 WeakPolarHBondContact O-CG1 3.2Å; V7-I11 PolarHBondContact O-N 3.29Å; V7-I11 VanDerWaalsContact O-N 3.09Å; V7-L59 HydrophobicContact CG1-CD1 3.73Å; V7-Y63 HydrophobicContact CB-CD1 4.39Å; V7-Y63 HydrophobicContact CG1-CD1 4Å; V7-Y63 HydrophobicContact CG1-CE1 4.19Å; V7-Y63 HydrophobicContact CG2-CD1 3.49Å; V7-Y63 VanDerWaalsContact CG2-CD1 3.49Å; V7-Y63 HydrophobicContact CG2-CE1 3.82Å; V7-Y63 WeakPolarHBondContact CG2-O 3.36Å
8Q89.7Confident84.7Confident94 Ų9468.8 Ų68.844%0.43939%0.385SS..Hα-helixtrans-63.4-41.5175.1-173.7177.9-33.900111.4E4 E6 E10 I11 E12E4-Q8 WeakPolarHBondContact O-CB 3.35Å; E4-Q8 PolarHBondContact O-N 2.64Å; E6-Q8 PolarHBondContact O-N 3.47Å; Q8-E10 PolarHBondContact O-N 3.35Å; Q8-I11 PolarHBondContact O-N 3.18Å; Q8-E12 HydrophobicContact CG-CG 4.42Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.44Å; Q8-E12 PolarHBondContact NE2-OE1 3.05Å; Q8-E12 WeakPolarHBondContact O-CG 3.47Å; Q8-E12 PolarHBondContact O-N 2.85Å
9S92.2Very high85Confident60 Ų6071.8 Ų71.842%0.4240%0.4SS..Hα-helixtrans-66-34.9178.172.40000113.4S5 E6 V13S5-S9 WeakPolarHBondContact O-CB 3.36Å; S5-S9 PolarHBondContact O-N 3.19Å; S5-S9 PolarHBondContact O-OG 3.13Å; E6-S9 PolarHBondContact O-N 3.28Å; E6-S9 VanDerWaalsContact O-N 3.16Å; E6-S9 PolarHBondContact O-OG 2.9Å; S9-V13 VanDerWaalsContact O-CG2 3.31Å; S9-V13 WeakPolarHBondContact O-CG2 3.42Å; S9-V13 PolarHBondContact O-N 2.86Å
10E94.2Very high85Confident21 Ų2178.1 Ų78.110%0.09843%0.426CS..Hα-helixtrans-63.4-45.1172178.4175.6-143.200111.2E6 V7 Q8 V13 L14 Y63 P101 V102 L103E6-E10 PolarHBondContact O-N 3.24Å; V7-E10 PolarHBondContact O-N 3.38Å; Q8-E10 PolarHBondContact O-N 3.35Å; E10-V13 PolarHBondContact O-N 3.3Å; E10-L14 HydrophobicContact CG-CD1 4.19Å; E10-L14 WeakPolarHBondContact O-CG 3.44Å; E10-L14 PolarHBondContact O-N 3.42Å; E10-Y63 PolarHBondContact OE1-OH 3.35Å; E10-Y63 WeakPolarHBondContact OE2-CE1 3.22Å; E10-Y63 PolarHBondContact OE2-OH 3.01Å; E10-P101 HydrophobicContact CB-CB 4.36Å; E10-P101 VanDerWaalsContact CD-CB 3.48Å; E10-P101 HydrophobicContact CG-CB 4.29Å; E10-P101 WeakPolarHBondContact OE1-CB 3.49Å; E10-V102 PolarHBondContact OE1-N 3.05Å; E10-L103 HydrophobicContact CG-CB 4.36Å; E10-L103 HydrophobicContact CG-CD1 4.19Å; E10-L103 HydrophobicContact CG-CG 4.41Å; E10-L103 WeakPolarHBondContact OE1-CB 3.41Å; E10-L103 WeakPolarHBondContact OE1-CG 3.44Å; E10-L103 PolarHBondContact OE1-N 3.28Å; E10-L103 WeakPolarHBondContact OE2-CD1 3.46Å; E10-L103 WeakPolarHBondContact OE2-CG 3.44Å
11I92.8Very high85.3Confident4 Ų480.1 Ų80.12%0.02143%0.432CS..Hα-helixtrans-64.3-42.5178.4-70.3170.7000111.4V7 Q8 V13 L14 Q15 V24 W32 V34 L59V7-I11 HydrophobicContact CG1-CD1 4.02Å; V7-I11 WeakPolarHBondContact O-CG1 3.2Å; V7-I11 PolarHBondContact O-N 3.29Å; V7-I11 VanDerWaalsContact O-N 3.09Å; Q8-I11 PolarHBondContact O-N 3.18Å; I11-V13 VanDerWaalsContact C-N 3.34Å; I11-V13 PolarHBondContact O-N 3.08Å; I11-L14 PolarHBondContact O-N 2.87Å; I11-Q15 WeakPolarHBondContact O-CB 3.49Å; I11-Q15 WeakPolarHBondContact O-CG 3.46Å; I11-Q15 PolarHBondContact O-N 3.11Å; I11-V24 HydrophobicContact CG2-CG1 3.75Å; I11-V24 HydrophobicContact CG2-CG2 4.23Å; I11-W32 HydrophobicContact CD1-CB 4.03Å; I11-W32 HydrophobicContact CD1-CD2 3.66Å; I11-W32 HydrophobicContact CD1-CE3 4Å; I11-W32 HydrophobicContact CD1-CG 3.69Å; I11-V34 HydrophobicContact CG1-CG2 4.38Å; I11-L59 HydrophobicContact CD1-CD1 4.27Å
12E94Very high87.2Confident94 Ų9471.8 Ų71.844%0.43939%0.392SS..Hα-helixtrans-64.5-36.8176.8-73.9173.8-172.400112.1Q8 S16Q8-E12 HydrophobicContact CG-CG 4.42Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.44Å; Q8-E12 PolarHBondContact NE2-OE1 3.05Å; Q8-E12 WeakPolarHBondContact O-CG 3.47Å; Q8-E12 PolarHBondContact O-N 2.85Å; E12-S16 WeakPolarHBondContact O-CB 3.43Å; E12-S16 PolarHBondContact O-N 2.87Å; E12-S16 PolarHBondContact O-OG 3.2Å
13V94.9Very high88.7Confident87 Ų8774.5 Ų74.553%0.52739%0.392SS..Hα-helixtrans-66.6-44.3172.5167.60000111.1S9 E10 I11 Q15 S16 I17S9-V13 VanDerWaalsContact O-CG2 3.31Å; S9-V13 WeakPolarHBondContact O-CG2 3.42Å; S9-V13 PolarHBondContact O-N 2.86Å; E10-V13 PolarHBondContact O-N 3.3Å; I11-V13 VanDerWaalsContact C-N 3.34Å; I11-V13 PolarHBondContact O-N 3.08Å; V13-Q15 PolarHBondContact O-N 3.03Å; V13-S16 WeakPolarHBondContact O-CA 3.38Å; V13-S16 WeakPolarHBondContact O-CB 3.36Å; V13-S16 PolarHBondContact O-N 3.4Å; V13-S16 VanDerWaalsContact O-N 3.09Å; V13-I17 HydrophobicContact CG1-CD1 3.8Å; V13-I17 WeakPolarHBondContact O-CG1 3.25Å; V13-I17 PolarHBondContact O-N 3.17Å
14L94.8Very high90.1Very high1 Ų173.9 Ų73.91%0.00538%0.384CS..Hα-helixtrans-63.1-41.3176.8-72.5170.2000112.6E10 I11 S16 I17 Y18 L22 L103 Y104 I107E10-L14 HydrophobicContact CG-CD1 4.19Å; E10-L14 WeakPolarHBondContact O-CG 3.44Å; E10-L14 PolarHBondContact O-N 3.42Å; I11-L14 PolarHBondContact O-N 2.87Å; L14-S16 PolarHBondContact O-N 3.15Å; L14-I17 PolarHBondContact O-N 3.22Å; L14-I17 VanDerWaalsContact O-N 3.16Å; L14-Y18 HydrophobicContact CD2-CD2 4.15Å; L14-Y18 HydrophobicContact CD2-CE2 3.72Å; L14-Y18 PolarHBondContact O-N 3.46Å; L14-L22 HydrophobicContact CB-CD2 3.59Å; L14-L103 HydrophobicContact CD1-CB 3.7Å; L14-L103 HydrophobicContact CD1-CD1 4.03Å; L14-Y104 HydrophobicContact CD2-CD2 4.04Å; L14-I107 HydrophobicContact CD2-CD1 3.99Å
15Q93.6Very high91.1Very high84 Ų8472.6 Ų72.639%0.39338%0.381SS..Hα-helixtrans-61.8-33.3172.8-74.4176.8-16.700111.7I11 V13 L19 L22 V24I11-Q15 WeakPolarHBondContact O-CB 3.49Å; I11-Q15 WeakPolarHBondContact O-CG 3.46Å; I11-Q15 PolarHBondContact O-N 3.11Å; V13-Q15 PolarHBondContact O-N 3.03Å; Q15-L19 VanDerWaalsContact O-CA 3.24Å; Q15-L19 WeakPolarHBondContact O-CA 3.49Å; Q15-L19 PolarHBondContact O-N 3.34Å; Q15-L22 HydrophobicContact CG-CD2 3.92Å; Q15-V24 HydrophobicContact CG-CG2 4.16Å
16S94.3Very high91.6Very high92 Ų9276.6 Ų76.664%0.64338%0.384SS*.Hα-helixtrans-73.1-26.5175.4-570000113.4E12 V13 L14E12-S16 WeakPolarHBondContact O-CB 3.43Å; E12-S16 PolarHBondContact O-N 2.87Å; E12-S16 PolarHBondContact O-OG 3.2Å; V13-S16 WeakPolarHBondContact O-CA 3.38Å; V13-S16 WeakPolarHBondContact O-CB 3.36Å; V13-S16 PolarHBondContact O-N 3.4Å; V13-S16 VanDerWaalsContact O-N 3.09Å; L14-S16 PolarHBondContact O-N 3.15Å
17I93.8Very high91.7Very high82 Ų8276.6 Ų76.642%0.42138%0.38SS..Hα-helixtrans-85.7-45179-65.7165.1000111.6V13 L14 Y104V13-I17 HydrophobicContact CG1-CD1 3.8Å; V13-I17 WeakPolarHBondContact O-CG1 3.25Å; V13-I17 PolarHBondContact O-N 3.17Å; L14-I17 PolarHBondContact O-N 3.22Å; L14-I17 VanDerWaalsContact O-N 3.16Å; I17-Y104 HydrophobicContact CD1-CD2 3.99Å; I17-Y104 HydrophobicContact CD1-CE2 3.95Å; I17-Y104 HydrophobicContact CG2-CE2 4.5Å
18Y90.9Very high91.4Very high18 Ų1886 Ų867%0.07142%0.424CS..Hα-helixtrans-106.6-3.8-171.2-59.9-55.8000114.3L14 E20 E21 L22 L36 Y104 I107 E108 K111L14-Y18 HydrophobicContact CD2-CD2 4.15Å; L14-Y18 HydrophobicContact CD2-CE2 3.72Å; L14-Y18 PolarHBondContact O-N 3.46Å; Y18-E20 PolarHBondContact O-N 2.84Å; Y18-E21 WeakPolarHBondContact O-CB 3.4Å; Y18-E21 PolarHBondContact O-N 2.95Å; Y18-L22 HydrophobicContact CD2-CD1 4.31Å; Y18-L36 HydrophobicContact CD1-CD2 4.23Å; Y18-L36 HydrophobicContact CD2-CD2 3.93Å; Y18-L36 HydrophobicContact CE1-CD2 4.43Å; Y18-L36 HydrophobicContact CE2-CD2 4.08Å; Y18-L36 HydrophobicContact CG-CD2 4.01Å; Y18-Y104 HydrophobicContact CE2-CD2 4.45Å; Y18-Y104 WeakPolarHBondContact OH-CE2 3.41Å; Y18-I107 HydrophobicContact CE2-CD1 4.02Å; Y18-I107 HydrophobicContact CE2-CG2 3.99Å; Y18-I107 WeakPolarHBondContact OH-CG2 3.47Å; Y18-E108 PolarHBondContact OH-OE1 3.33Å; Y18-K111 VanDerWaalsContact CE1-NZ 3.26Å; Y18-K111 PolarHBondContact OH-NZ 3.13Å
19L90.4Very high90.8Very high127 Ų12785.9 Ų85.967%0.66543%0.426SS*.G310 helixtrans49.8-117.8171.1-56.7174.3000112.6Q15 E21Q15-L19 VanDerWaalsContact O-CA 3.24Å; Q15-L19 WeakPolarHBondContact O-CA 3.49Å; Q15-L19 PolarHBondContact O-N 3.34Å; L19-E21 VanDerWaalsContact C-N 3.34Å
20E85.6Confident90.2Very high196 Ų19684.2 Ų84.292%0.91642%0.418SS*.G310 helixtrans-79.8-9.9-177.2-60.2-175.8-179.400113.9Y18Y18-E20 PolarHBondContact O-N 2.84Å
21E89.6Confident89.8Confident121 Ų12183.3 Ų83.357%0.56542%0.415SS*.G310 helixtrans-77-24.4178.5-54.6-166.8144.300112.6Y18 L19 L36Y18-E21 WeakPolarHBondContact O-CB 3.4Å; Y18-E21 PolarHBondContact O-N 2.95Å; L19-E21 VanDerWaalsContact C-N 3.34Å; E21-L36 HydrophobicContact CB-CD1 3.61Å; E21-L36 VanDerWaalsContact O-CD1 3.26Å; E21-L36 WeakPolarHBondContact O-CD1 3.46Å
22L93.1Very high89.7Confident14 Ų1485.8 Ų85.87%0.07342%0.424CS..EExtended strand (participates in β ladder)trans-91.6112.3-175.4-166.676.1000111.8L14 Q15 Y18 V24 V34 L36L14-L22 HydrophobicContact CB-CD2 3.59Å; Q15-L22 HydrophobicContact CG-CD2 3.92Å; Y18-L22 HydrophobicContact CD2-CD1 4.31Å; L22-V24 HydrophobicContact CD2-CG2 3.77Å; L22-V24 HydrophobicContact CG-CG2 3.89Å; L22-V34 HydrophobicContact CD1-CG1 3.55Å; L22-V34 HydrophobicContact CD2-CG1 4.38Å; L22-V34 HydrophobicContact CG-CG1 4.09Å; L22-L36 HydrophobicContact CD1-CB 4.07Å; L22-L36 HydrophobicContact CD1-CD1 4.36Å; L22-L36 HydrophobicContact CD1-CD2 4.27Å; L22-L36 HydrophobicContact CD1-CG 4.47Å
23Q93.6Very high89.8Confident126 Ų12684 Ų8459%0.58942%0.415SS*.EExtended strand (participates in β ladder)trans-89.4121.8174-64.2178.6-13.600109.1V34 S35Q23-V34 CarbonylContact O-C 3.56Å; Q23-V34 WeakPolarHBondContact O-CA 3.44Å; Q23-S35 PolarHBondContact N-O 2.81Å; Q23-S35 PolarHBondContact O-N 2.82Å
24V93.2Very high89.8Confident32 Ų3280 Ų8019%0.19439%0.391CS..EExtended strand (participates in β ladder)trans-125.3105.9-179-1780000109.2I11 Q15 L22 W32 Q33 V34I11-V24 HydrophobicContact CG2-CG1 3.75Å; I11-V24 HydrophobicContact CG2-CG2 4.23Å; Q15-V24 HydrophobicContact CG-CG2 4.16Å; L22-V24 HydrophobicContact CD2-CG2 3.77Å; L22-V24 HydrophobicContact CG-CG2 3.89Å; V24-W32 HydrophobicContact CG1-CE3 3.82Å; V24-W32 HydrophobicContact CG1-CZ3 3.99Å; V24-Q33 WeakPolarHBondContact CA-O 3.42Å; V24-V34 HydrophobicContact CG2-CG2 4.47Å
25D91.8Very high89.8Confident95 Ų9580.4 Ų80.451%0.50839%0.394SS..EExtended strand (participates in β ladder)trans-106.1143177.7-71.9-58.2000110.6Q33D25-Q33 HydrophobicContact CB-CB 4.42Å; D25-Q33 PolarHBondContact N-O 2.85Å; D25-Q33 PolarHBondContact O-N 2.85Å
26R88.6Confident89.9Confident162 Ų16276.7 Ų76.761%0.61138%0.377SS*.EExtended strand (participates in β ladder)trans-100.8122.8171.1-167.4175.7-173.4173.54.4109.5G30 W32R26-G30 PolarHBondContact NE-O 2.86Å; R26-W32 HydrophobicContact CB-CE3 4.24Å; R26-W32 HydrophobicContact CB-CZ3 4.31Å; R26-W32 HydrophobicContact CG-CE3 4.45Å
27R87.1Confident89.9Confident89 Ų8974.8 Ų74.834%0.33636%0.361SS..  trans-81.4153.9-175.9-62-174.562.3-110.7-17.1111.1D29 G30 G31 Q33R27-D29 HydrophobicContact CB-CB 4.41Å; R27-D29 VanDerWaalsContact CZ-CG 3.41Å; R27-D29 IonicContact CZ-OD1 3.48Å; R27-D29 VanDerWaalsContact CZ-OD1 3.24Å; R27-D29 IonicContact CZ-OD2 2.76Å; R27-D29 IonicContact NE-OD1 2.63Å; R27-D29 IonicContact NH1-OD1 3.55Å; R27-D29 IonicContact NH1-OD2 3.75Å; R27-D29 PolarHBondContact NH1-OD2 3.27Å; R27-D29 IonicContact NH2-OD1 3.28Å; R27-D29 PolarHBondContact NH2-OD1 3.5Å; R27-D29 IonicContact NH2-OD2 2.78Å; R27-D29 PolarHBondContact NH2-OD2 2.94Å; R27-D29 PolarHBondContact O-N 3.39Å; R27-G30 PolarHBondContact O-N 2.87Å; R27-G31 PolarHBondContact N-O 3.34Å; R27-Q33 HydrophobicContact CG-CB 4.15Å
28E81.4Confident89.9Confident206 Ų20671 Ų7196%0.96334%0.342SS*.THydrogen-bonded Turntrans-57.4-31.2176.8-60.7-176.7175.800112G30E28-G30 PolarHBondContact O-N 3Å
29D77.6Confident90Very high93 Ų9373.6 Ų73.650%0.49735%0.352SS..THydrogen-bonded Turntrans-58.4-9.8172.2-43.543000114R27 G31R27-D29 HydrophobicContact CB-CB 4.41Å; R27-D29 VanDerWaalsContact CZ-CG 3.41Å; R27-D29 IonicContact CZ-OD1 3.48Å; R27-D29 VanDerWaalsContact CZ-OD1 3.24Å; R27-D29 IonicContact CZ-OD2 2.76Å; R27-D29 IonicContact NE-OD1 2.63Å; R27-D29 IonicContact NH1-OD1 3.55Å; R27-D29 IonicContact NH1-OD2 3.75Å; R27-D29 PolarHBondContact NH1-OD2 3.27Å; R27-D29 IonicContact NH2-OD1 3.28Å; R27-D29 PolarHBondContact NH2-OD1 3.5Å; R27-D29 IonicContact NH2-OD2 2.78Å; R27-D29 PolarHBondContact NH2-OD2 2.94Å; R27-D29 PolarHBondContact O-N 3.39Å; D29-G31 VanDerWaalsContact C-N 3.28Å; D29-G31 PolarHBondContact O-N 2.83Å
30G78.8Confident90Very high24 Ų2467.7 Ų67.725%0.24732%0.321CS..SBendtrans88.8-21.8-175.400000114.7R26 R27 E28R26-G30 PolarHBondContact NE-O 2.86Å; R27-G30 PolarHBondContact O-N 2.87Å; E28-G30 PolarHBondContact O-N 3Å
31G86.7Confident90.2Very high2 Ų262 Ų622%0.02130%0.303CS..  trans-73.3178.6176.100000114.5R27 D29 L59R27-G31 PolarHBondContact N-O 3.34Å; D29-G31 VanDerWaalsContact C-N 3.28Å; D29-G31 PolarHBondContact O-N 2.83Å; G31-L59 WeakPolarHBondContact CA-O 3.45Å
32W91.1Very high90Very high57 Ų5757.5 Ų57.522%0.21628%0.284CS..EExtended strand (participates in β ladder)trans-113.8155.5-175.2-63.694.4000111.9I11 V24 R26 L59I11-W32 HydrophobicContact CD1-CB 4.03Å; I11-W32 HydrophobicContact CD1-CD2 3.66Å; I11-W32 HydrophobicContact CD1-CE3 4Å; I11-W32 HydrophobicContact CD1-CG 3.69Å; V24-W32 HydrophobicContact CG1-CE3 3.82Å; V24-W32 HydrophobicContact CG1-CZ3 3.99Å; R26-W32 HydrophobicContact CB-CE3 4.24Å; R26-W32 HydrophobicContact CB-CZ3 4.31Å; R26-W32 HydrophobicContact CG-CE3 4.45Å; W32-L59 HydrophobicContact CB-CB 4.28Å; W32-L59 HydrophobicContact CB-CD1 3.89Å; W32-L59 HydrophobicContact CB-CG 4.08Å; W32-L59 PolarHBondContact N-O 3.03Å; W32-L59 PolarHBondContact O-N 3.17Å
33Q94.4Very high89.5Confident55 Ų5561.5 Ų61.526%0.25732%0.319SS..EExtended strand (participates in β ladder)trans-133.7121.8172.3-176.9172.4-5.100108.8V24 D25 R27 T56V24-Q33 WeakPolarHBondContact CA-O 3.42Å; D25-Q33 HydrophobicContact CB-CB 4.42Å; D25-Q33 PolarHBondContact N-O 2.85Å; D25-Q33 PolarHBondContact O-N 2.85Å; R27-Q33 HydrophobicContact CG-CB 4.15Å; Q33-T56 HydrophobicContact CG-CG2 3.94Å
34V94.8Very high88.6Confident4 Ų464.3 Ų64.32%0.02433%0.332CS..EExtended strand (participates in β ladder)trans-115.6124.2-178.6-179.10000108I11 L22 Q23 V24 T56 L57 L103I11-V34 HydrophobicContact CG1-CG2 4.38Å; L22-V34 HydrophobicContact CD1-CG1 3.55Å; L22-V34 HydrophobicContact CD2-CG1 4.38Å; L22-V34 HydrophobicContact CG-CG1 4.09Å; Q23-V34 CarbonylContact O-C 3.56Å; Q23-V34 WeakPolarHBondContact O-CA 3.44Å; V24-V34 HydrophobicContact CG2-CG2 4.47Å; V34-T56 CarbonylContact O-C 3.59Å; V34-T56 WeakPolarHBondContact O-CA 3.26Å; V34-L57 PolarHBondContact N-O 2.73Å; V34-L57 PolarHBondContact O-N 3.03Å; V34-L103 HydrophobicContact CG2-CD1 4.42Å
35S96Very high88.1Confident10 Ų1065.7 Ų65.77%0.0734%0.338CS..EExtended strand (participates in β ladder)trans-128.7138178.8-57.70000111.9Q23 L55 T56Q23-S35 PolarHBondContact N-O 2.81Å; Q23-S35 PolarHBondContact O-N 2.82Å; S35-L55 CarbonylContact C-O 3.38Å; S35-L55 VanDerWaalsContact CA-O 3.27Å; S35-L55 WeakPolarHBondContact CA-O 3.41Å; S35-T56 WeakPolarHBondContact OG-CG2 3.39Å; S35-T56 PolarHBondContact OG-OG1 3.2Å
36L95.7Very high87.5Confident6 Ų664.8 Ų64.83%0.03134%0.34CS..EExtended strand (participates in β ladder)trans-142.2140.6-178.7-174.656.8000110.1Y18 E21 L22 L38 T54 L55 I107Y18-L36 HydrophobicContact CD1-CD2 4.23Å; Y18-L36 HydrophobicContact CD2-CD2 3.93Å; Y18-L36 HydrophobicContact CE1-CD2 4.43Å; Y18-L36 HydrophobicContact CE2-CD2 4.08Å; Y18-L36 HydrophobicContact CG-CD2 4.01Å; E21-L36 HydrophobicContact CB-CD1 3.61Å; E21-L36 VanDerWaalsContact O-CD1 3.26Å; E21-L36 WeakPolarHBondContact O-CD1 3.46Å; L22-L36 HydrophobicContact CD1-CB 4.07Å; L22-L36 HydrophobicContact CD1-CD1 4.36Å; L22-L36 HydrophobicContact CD1-CD2 4.27Å; L22-L36 HydrophobicContact CD1-CG 4.47Å; L36-L38 HydrophobicContact CB-CD2 4.33Å; L36-L38 HydrophobicContact CD2-CD2 3.66Å; L36-L38 HydrophobicContact CG-CD2 3.75Å; L36-T54 WeakPolarHBondContact O-CA 3.39Å; L36-L55 PolarHBondContact N-O 3.49Å; L36-L55 PolarHBondContact O-N 3.31Å; L36-I107 HydrophobicContact CD2-CD1 4.15Å; L36-I107 HydrophobicContact CD2-CG1 4.39Å; L36-I107 HydrophobicContact CD2-CG2 3.79Å
37V94.7Very high87.2Confident52 Ų5261.9 Ų61.932%0.31534%0.339SS..EExtended strand (participates in β ladder)trans-86.2118.3170.9-173.50000108.4Y39V37-Y39 HydrophobicContact CB-CE2 4.34Å; V37-Y39 HydrophobicContact CG1-CE1 4.41Å; V37-Y39 HydrophobicContact CG1-CE2 3.83Å
38L93.3Very high86.9Confident1 Ų159.7 Ų59.71%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-102.3137.8-176.8-59.5-175.4000112.1L36 R52 L53 L55 I107 A110 K111 L114L36-L38 HydrophobicContact CB-CD2 4.33Å; L36-L38 HydrophobicContact CD2-CD2 3.66Å; L36-L38 HydrophobicContact CG-CD2 3.75Å; L38-R52 WeakPolarHBondContact O-CA 3.37Å; L38-R52 WeakPolarHBondContact O-CB 3.32Å; L38-L53 HydrophobicContact CB-CD1 4.12Å; L38-L53 HydrophobicContact CD1-CD1 4.06Å; L38-L53 HydrophobicContact CG-CD1 4.31Å; L38-L53 PolarHBondContact N-O 3.4Å; L38-L53 PolarHBondContact O-N 2.82Å; L38-L55 HydrophobicContact CD1-CB 3.74Å; L38-L55 HydrophobicContact CD1-CD2 3.83Å; L38-L55 HydrophobicContact CD1-CG 4.42Å; L38-L55 HydrophobicContact CG-CB 4.19Å; L38-I107 HydrophobicContact CD2-CG2 4.02Å; L38-A110 HydrophobicContact CD1-CB 3.41Å; L38-A110 VanDerWaalsContact CD1-CB 3.41Å; L38-K111 HydrophobicContact CD2-CG 4.17Å; L38-L114 HydrophobicContact CB-CD1 3.54Å
39Y91.9Very high87.2Confident74 Ų7451.3 Ų51.329%0.2930%0.298SS..  trans-123.5155.4175-57.8-81.3000109.1V37 R52V37-Y39 HydrophobicContact CB-CE2 4.34Å; V37-Y39 HydrophobicContact CG1-CE1 4.41Å; V37-Y39 HydrophobicContact CG1-CE2 3.83Å; Y39-R52 HydrophobicContact CD1-CB 3.91Å; Y39-R52 HydrophobicContact CE1-CB 3.96Å
40P92.2Very high87.7Confident3 Ų348.7 Ų48.72%0.01928%0.283CS..  trans-66.4151170.729.8-36.3000111T42 Q49 V51 L114 N118P40-T42 HydrophobicContact CB-CG2 4.12Å; P40-T42 HydrophobicContact CG-CG2 3.92Å; P40-T42 PolarHBondContact O-N 2.83Å; P40-Q49 HydrophobicContact CG-CB 4.24Å; P40-Q49 HydrophobicContact CG-CG 4.19Å; P40-V51 HydrophobicContact CB-CG2 4.35Å; P40-V51 WeakPolarHBondContact CD-O 3.36Å; P40-V51 HydrophobicContact CG-CG2 4.06Å; P40-L114 HydrophobicContact CB-CB 4.36Å; P40-N118 HydrophobicContact CB-CB 4.16Å; P40-N118 HydrophobicContact CG-CB 4.39Å; P40-N118 WeakPolarHBondContact CG-OD1 3.49Å
41S89.6Confident88.3Confident76 Ų7647.6 Ų47.653%0.53127%0.271SS..  trans-77.463.1-176.5-61.60000112.5A43 T115S41-A43 PolarHBondContact O-N 3.42Å; S41-T115 PolarHBondContact N-OG1 3.06Å
42T84.3Confident88.5Confident27 Ų2750.5 Ų50.517%0.16628%0.281CS..SBendtrans-85.732-175.556.90000114.1P40 E44 D45 Q49P40-T42 HydrophobicContact CB-CG2 4.12Å; P40-T42 HydrophobicContact CG-CG2 3.92Å; P40-T42 PolarHBondContact O-N 2.83Å; T42-E44 VanDerWaalsContact C-N 3.28Å; T42-E44 PolarHBondContact O-N 2.87Å; T42-D45 PolarHBondContact O-N 3.39Å; T42-D45 VanDerWaalsContact O-N 3.07Å; T42-D45 PolarHBondContact OG1-O 3.24Å; T42-Q49 HydrophobicContact CG2-CG 4.42Å; T42-Q49 VanDerWaalsContact OG1-CG 3.23Å; T42-Q49 WeakPolarHBondContact OG1-CG 3.49Å
43A82.3Confident88.7Confident97 Ų9747.9 Ų47.980%0.80227%0.272SS*.THydrogen-bonded Turntrans48.348.9-174.200000112.8S41 D45S41-A43 PolarHBondContact O-N 3.42Å; A43-D45 PolarHBondContact O-N 3.4Å
44E75.1Confident88.7Confident185 Ų18546.2 Ų46.286%0.86427%0.265SS*.THydrogen-bonded Turntrans63.32.2-178.5-61.6172.7-16000116.1T42 S46T42-E44 VanDerWaalsContact C-N 3.28Å; T42-E44 PolarHBondContact O-N 2.87Å; E44-S46 PolarHBondContact O-N 2.82Å
45D83.8Confident88.8Confident62 Ų6246.1 Ų46.133%0.33227%0.265SS..  trans-70.796.8173.717827.6000112T42 A43 V47 S48 Q49T42-D45 PolarHBondContact O-N 3.39Å; T42-D45 VanDerWaalsContact O-N 3.07Å; T42-D45 PolarHBondContact OG1-O 3.24Å; A43-D45 PolarHBondContact O-N 3.4Å; D45-V47 PolarHBondContact O-N 2.91Å; D45-V47 VanDerWaalsContact OD1-CB 3.27Å; D45-V47 WeakPolarHBondContact OD1-CB 3.5Å; D45-V47 WeakPolarHBondContact OD1-CG2 3.48Å; D45-V47 PolarHBondContact OD1-N 3.18Å; D45-S48 PolarHBondContact O-N 3.1Å; D45-S48 WeakPolarHBondContact OD2-CB 3.38Å; D45-S48 PolarHBondContact OD2-N 2.88Å; D45-S48 PolarHBondContact OD2-OG 3.28Å; D45-Q49 WeakPolarHBondContact O-CG 3.21Å; D45-Q49 PolarHBondContact O-N 2.87Å
46S79.2Confident88.8Confident76 Ų7646 Ų4653%0.53126%0.263SS..THydrogen-bonded Turntrans-58.8-20.1172.967.90000114.6E44 K139E44-S46 PolarHBondContact O-N 2.82Å; S46-K139 PolarHBondContact O-NZ 3.43Å
47V80.3Confident88.8Confident100 Ų10045.8 Ų45.861%0.60626%0.262SS*.THydrogen-bonded Turntrans-72.7-47.3175.5-173.50000109.7D45 Q49 F50D45-V47 PolarHBondContact O-N 2.91Å; D45-V47 VanDerWaalsContact OD1-CB 3.27Å; D45-V47 WeakPolarHBondContact OD1-CB 3.5Å; D45-V47 WeakPolarHBondContact OD1-CG2 3.48Å; D45-V47 PolarHBondContact OD1-N 3.18Å; V47-Q49 VanDerWaalsContact C-N 3.32Å; V47-Q49 PolarHBondContact O-N 2.94Å; V47-F50 VanDerWaalsContact O-CE1 3.3Å; V47-F50 WeakPolarHBondContact O-CE1 3.06Å
48S82.4Confident88.8Confident43 Ų4344.5 Ų44.530%0.30126%0.255SS..THydrogen-bonded Turntrans-75.7-7.1179.2-61.10000115.5D45 F50 N118D45-S48 PolarHBondContact O-N 3.1Å; D45-S48 WeakPolarHBondContact OD2-CB 3.38Å; D45-S48 PolarHBondContact OD2-N 2.88Å; D45-S48 PolarHBondContact OD2-OG 3.28Å; S48-F50 VanDerWaalsContact C-N 3.35Å; S48-F50 VanDerWaalsContact O-CD2 3.22Å; S48-F50 WeakPolarHBondContact O-CD2 3.19Å; S48-F50 WeakPolarHBondContact O-CE2 3.39Å; S48-F50 PolarHBondContact O-N 3.41Å; S48-N118 PolarHBondContact O-ND2 3.37Å
49Q87.8Confident88.8Confident30 Ų3044.5 Ų44.514%0.1426%0.255CS..  trans-7283.4172.8-70.1171.6-6.600111P40 T42 D45 V47 K139P40-Q49 HydrophobicContact CG-CB 4.24Å; P40-Q49 HydrophobicContact CG-CG 4.19Å; T42-Q49 HydrophobicContact CG2-CG 4.42Å; T42-Q49 VanDerWaalsContact OG1-CG 3.23Å; T42-Q49 WeakPolarHBondContact OG1-CG 3.49Å; D45-Q49 WeakPolarHBondContact O-CG 3.21Å; D45-Q49 PolarHBondContact O-N 2.87Å; V47-Q49 VanDerWaalsContact C-N 3.32Å; V47-Q49 PolarHBondContact O-N 2.94Å; Q49-K139 WeakPolarHBondContact O-CD 3.32Å; Q49-K139 WeakPolarHBondContact O-CE 3.29Å; Q49-K139 PolarHBondContact O-NZ 3.38Å
50F87.8Confident88.7Confident39 Ų3944.2 Ų44.217%0.17126%0.258CS..  trans-82.3-34.6-175.3-54.7-55.7000112.8V47 S48 N118 F137 K139 Y145V47-F50 VanDerWaalsContact O-CE1 3.3Å; V47-F50 WeakPolarHBondContact O-CE1 3.06Å; S48-F50 VanDerWaalsContact C-N 3.35Å; S48-F50 VanDerWaalsContact O-CD2 3.22Å; S48-F50 WeakPolarHBondContact O-CD2 3.19Å; S48-F50 WeakPolarHBondContact O-CE2 3.39Å; S48-F50 PolarHBondContact O-N 3.41Å; F50-N118 WeakPolarHBondContact CA-OD1 3.36Å; F50-N118 WeakPolarHBondContact CB-OD1 3.35Å; F50-N118 WeakPolarHBondContact CD2-O 3.32Å; F50-N118 PolarHBondContact N-OD1 3.19Å; F50-F137 HydrophobicContact CB-CE2 4.34Å; F50-F137 AromaticContact CD1-CE2 3.68Å; F50-F137 HydrophobicContact CD1-CE2 3.68Å; F50-F137 HydrophobicContact CD1-CZ 4.5Å; F50-F137 AromaticContact CD2-CE2 3.8Å; F50-F137 HydrophobicContact CD2-CE2 3.8Å; F50-F137 AromaticContact CD2-CZ 3.8Å; F50-F137 HydrophobicContact CD2-CZ 3.8Å; F50-F137 AromaticContact CE1-CE2 3.83Å; F50-F137 HydrophobicContact CE1-CE2 3.83Å; F50-F137 AromaticContact CE2-CE2 3.94Å; F50-F137 HydrophobicContact CE2-CE2 3.94Å; F50-F137 AromaticContact CE2-CZ 3.88Å; F50-F137 HydrophobicContact CE2-CZ 3.88Å; F50-F137 AromaticContact CG-CE2 3.66Å; F50-F137 HydrophobicContact CG-CE2 3.66Å; F50-F137 HydrophobicContact CG-CZ 4.12Å; F50-F137 AromaticContact CZ-CE2 3.95Å; F50-F137 HydrophobicContact CZ-CE2 3.95Å; F50-F137 HydrophobicContact CZ-CZ 4.26Å; F50-K139 HydrophobicContact CD1-CB 4.1Å; F50-Y145 VanDerWaalsContact O-CE1 3.24Å; F50-Y145 WeakPolarHBondContact O-CE1 3.46Å; F50-Y145 VanDerWaalsContact O-CZ 3.3Å; F50-Y145 PolarHBondContact O-OH 3.38Å
51V90.3Very high88.6Confident0 Ų050.4 Ų50.40%029%0.291CS..  trans-99.6154.4174.8-60.70000112.5P40 R76 L78 L114 S117 N118P40-V51 HydrophobicContact CB-CG2 4.35Å; P40-V51 WeakPolarHBondContact CD-O 3.36Å; P40-V51 HydrophobicContact CG-CG2 4.06Å; V51-R76 WeakPolarHBondContact CA-O 3.45Å; V51-L78 HydrophobicContact CB-CD2 4.27Å; V51-L78 HydrophobicContact CB-CG 4.32Å; V51-L78 HydrophobicContact CG1-CD2 3.88Å; V51-L78 HydrophobicContact CG1-CG 4.21Å; V51-L114 HydrophobicContact CB-CD2 4.28Å; V51-L114 HydrophobicContact CG2-CB 4.08Å; V51-L114 HydrophobicContact CG2-CD2 3.76Å; V51-L114 WeakPolarHBondContact CG2-O 3.37Å; V51-S117 WeakPolarHBondContact CG1-O 3.29Å; V51-N118 HydrophobicContact CG2-CB 4.44Å; V51-N118 PolarHBondContact N-OD1 3.34Å
52R91.9Very high88.5Confident63 Ų6353 Ų5324%0.23829%0.294CS..EExtended strand (participates in β ladder)trans-155.6157.716463.2170.9174.4130-5.5111.7L38 Y39 P75 R76 Y143L38-R52 WeakPolarHBondContact O-CA 3.37Å; L38-R52 WeakPolarHBondContact O-CB 3.32Å; Y39-R52 HydrophobicContact CD1-CB 3.91Å; Y39-R52 HydrophobicContact CE1-CB 3.96Å; R52-P75 CarbonylContact O-C 3.58Å; R52-P75 WeakPolarHBondContact O-CA 3.17Å; R52-R76 HydrophobicContact CG-CB 3.95Å; R52-R76 HydrophobicContact CG-CG 4.26Å; R52-R76 PolarHBondContact N-O 3.05Å; R52-R76 VanDerWaalsContact N-O 3.09Å; R52-R76 PolarHBondContact O-N 3.35Å; R52-Y143 HydrophobicContact CG-CD1 4.12Å; R52-Y143 HydrophobicContact CG-CE1 3.73Å; R52-Y143 VanDerWaalsContact NE-CE1 3.32Å; R52-Y143 VanDerWaalsContact NE-CZ 3.34Å
53L94.2Very high88.8Confident2 Ų252.1 Ų52.11%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-148.3165.2167.660.278000110.7L38 L55 I72 P75 L78 L114L38-L53 HydrophobicContact CB-CD1 4.12Å; L38-L53 HydrophobicContact CD1-CD1 4.06Å; L38-L53 HydrophobicContact CG-CD1 4.31Å; L38-L53 PolarHBondContact N-O 3.4Å; L38-L53 PolarHBondContact O-N 2.82Å; L53-L55 HydrophobicContact CD1-CB 3.92Å; L53-I72 HydrophobicContact CB-CG2 3.97Å; L53-I72 HydrophobicContact CD1-CG2 4.36Å; L53-I72 HydrophobicContact CD2-CG2 3.88Å; L53-I72 HydrophobicContact CG-CG2 4.3Å; L53-P75 HydrophobicContact CB-CB 4.45Å; L53-L78 HydrophobicContact CD2-CD1 4.01Å; L53-L114 HydrophobicContact CD2-CD2 3.94Å; L53-L114 HydrophobicContact CG-CD1 4.21Å; L53-L114 HydrophobicContact CG-CD2 4.19Å
54T95.6Very high89.2Confident20 Ų2047.8 Ų47.812%0.12325%0.251CS..EExtended strand (participates in β ladder)trans-100.6118.3164.2-55.70000107.7L36 H73L36-T54 WeakPolarHBondContact O-CA 3.39Å; T54-H73 PolarHBondContact N-O 3.48Å; T54-H73 PolarHBondContact O-N 3.48Å
55L96.4Very high89.9Confident3 Ų343.3 Ų43.32%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-90.8130.2172.6-179.964.4000108.3S35 L36 L38 L53 L57 I70 L90 I107 A110S35-L55 CarbonylContact C-O 3.38Å; S35-L55 VanDerWaalsContact CA-O 3.27Å; S35-L55 WeakPolarHBondContact CA-O 3.41Å; L36-L55 PolarHBondContact N-O 3.49Å; L36-L55 PolarHBondContact O-N 3.31Å; L38-L55 HydrophobicContact CD1-CB 3.74Å; L38-L55 HydrophobicContact CD1-CD2 3.83Å; L38-L55 HydrophobicContact CD1-CG 4.42Å; L38-L55 HydrophobicContact CG-CB 4.19Å; L53-L55 HydrophobicContact CD1-CB 3.92Å; L55-L57 HydrophobicContact CD1-CD2 4.09Å; L55-L57 HydrophobicContact CD2-CD1 4.48Å; L55-L57 HydrophobicContact CD2-CD2 4.29Å; L55-L57 HydrophobicContact CD2-CG 4.41Å; L55-L57 HydrophobicContact CG-CD2 4.13Å; L55-L57 HydrophobicContact CG-CG 4.26Å; L55-I70 HydrophobicContact CD1-CG2 3.97Å; L55-L90 HydrophobicContact CD1-CD1 4Å; L55-I107 HydrophobicContact CD2-CG1 4.21Å; L55-A110 HydrophobicContact CD2-CB 4.1Å
56T96.6Very high90.3Very high6 Ų641.5 Ų41.54%0.03723%0.233CC..EExtended strand (participates in β ladder)trans-124.1122.5174.8-67.30000108.7Q33 V34 S35 S71 H73Q33-T56 HydrophobicContact CG-CG2 3.94Å; V34-T56 CarbonylContact O-C 3.59Å; V34-T56 WeakPolarHBondContact O-CA 3.26Å; S35-T56 WeakPolarHBondContact OG-CG2 3.39Å; S35-T56 PolarHBondContact OG-OG1 3.2Å; T56-S71 PolarHBondContact N-O 2.91Å; T56-S71 PolarHBondContact O-N 2.96Å; T56-H73 PolarHBondContact OG1-CD2 3.22Å
57L95.6Very high90.9Very high2 Ų239.6 Ų39.61%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-111.7117.4177.3-55.8178.2000108.3V34 L55 I70 L103 L106V34-L57 PolarHBondContact N-O 2.73Å; V34-L57 PolarHBondContact O-N 3.03Å; L55-L57 HydrophobicContact CD1-CD2 4.09Å; L55-L57 HydrophobicContact CD2-CD1 4.48Å; L55-L57 HydrophobicContact CD2-CD2 4.29Å; L55-L57 HydrophobicContact CD2-CG 4.41Å; L55-L57 HydrophobicContact CG-CD2 4.13Å; L55-L57 HydrophobicContact CG-CG 4.26Å; L57-I70 HydrophobicContact CD2-CB 4.32Å; L57-I70 HydrophobicContact CD2-CG1 3.7Å; L57-I70 HydrophobicContact CD2-CG2 4.34Å; L57-L103 HydrophobicContact CB-CD2 4.26Å; L57-L103 HydrophobicContact CD1-CB 4.28Å; L57-L103 HydrophobicContact CD1-CD2 3.72Å; L57-L106 HydrophobicContact CD1-CB 4.28Å; L57-L106 HydrophobicContact CD1-CD1 4.28Å; L57-L106 HydrophobicContact CD2-CD1 4.14Å
58T94.4Very high91.6Very high25 Ų2535 Ų3515%0.15319%0.192CC..EExtended strand (participates in β ladder)trans-106.2124.2177.5-53.40000109.9V69T58-V69 PolarHBondContact N-O 3.24Å; T58-V69 PolarHBondContact O-N 2.77Å
59L93.2Very high92.2Very high1 Ų137.4 Ų37.41%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-101.1130.5-176.6-36-175.6000109V7 I11 G31 W32 Y63 P68 L103V7-L59 HydrophobicContact CG1-CD1 3.73Å; I11-L59 HydrophobicContact CD1-CD1 4.27Å; G31-L59 WeakPolarHBondContact CA-O 3.45Å; W32-L59 HydrophobicContact CB-CB 4.28Å; W32-L59 HydrophobicContact CB-CD1 3.89Å; W32-L59 HydrophobicContact CB-CG 4.08Å; W32-L59 PolarHBondContact N-O 3.03Å; W32-L59 PolarHBondContact O-N 3.17Å; L59-Y63 HydrophobicContact CB-CD1 4.19Å; L59-Y63 HydrophobicContact CB-CG 4.22Å; L59-Y63 HydrophobicContact CD1-CD1 3.77Å; L59-Y63 HydrophobicContact CD1-CE1 3.94Å; L59-Y63 HydrophobicContact CD2-CD1 4.28Å; L59-Y63 HydrophobicContact CD2-CE1 4.43Å; L59-Y63 HydrophobicContact CD2-CG 4.36Å; L59-Y63 HydrophobicContact CG-CD1 4.3Å; L59-P68 HydrophobicContact CD2-CB 3.74Å; L59-L103 HydrophobicContact CD1-CD1 3.88Å; L59-L103 HydrophobicContact CD2-CD1 4.19Å; L59-L103 HydrophobicContact CD2-CD2 3.57Å; L59-L103 HydrophobicContact CD2-CG 4.48Å
60D90.7Very high92.6Very high69 Ų6936.6 Ų36.637%0.36920%0.201SC..  trans-84.3-171.4170.180.3-13.4000111Q62 Y63 S66D60-Q62 VanDerWaalsContact C-N 3.25Å; D60-Q62 PolarHBondContact O-N 3.25Å; D60-Q62 WeakPolarHBondContact OD1-CA 3.49Å; D60-Q62 PolarHBondContact OD1-N 3.09Å; D60-Q62 PolarHBondContact OD2-NE2 3.27Å; D60-Y63 PolarHBondContact OD1-N 2.92Å; D60-S66 PolarHBondContact OD1-OG 2.9Å
61L88.8Confident92.9Very high133 Ų13336.5 Ų36.570%0.69621%0.205SC*.SBendtrans-82.43.4178-60.1176.4000113.8
62Q88.6Confident93.2Very high130 Ų13038.2 Ų38.261%0.60721%0.214SC*.SBendtrans-110.2-19.4-179.6-65.2173.8104.700112.5D60 S65 S66D60-Q62 VanDerWaalsContact C-N 3.25Å; D60-Q62 PolarHBondContact O-N 3.25Å; D60-Q62 WeakPolarHBondContact OD1-CA 3.49Å; D60-Q62 PolarHBondContact OD1-N 3.09Å; D60-Q62 PolarHBondContact OD2-NE2 3.27Å; Q62-S65 WeakPolarHBondContact O-CA 3.19Å; Q62-S65 WeakPolarHBondContact O-CB 3.32Å; Q62-S65 PolarHBondContact O-N 2.94Å; Q62-S65 PolarHBondContact O-OG 3.09Å; Q62-S66 VanDerWaalsContact C-OG 3.26Å; Q62-S66 WeakPolarHBondContact CB-OG 3.43Å
63Y90.1Very high93.2Very high8 Ų839.4 Ų39.43%0.03122%0.222CC..THydrogen-bonded Turntrans-52.4132.2173.7179.4-98000110.1V7 E10 L59 D60 S66 P68 P101 V102 L103V7-Y63 HydrophobicContact CB-CD1 4.39Å; V7-Y63 HydrophobicContact CG1-CD1 4Å; V7-Y63 HydrophobicContact CG1-CE1 4.19Å; V7-Y63 HydrophobicContact CG2-CD1 3.49Å; V7-Y63 VanDerWaalsContact CG2-CD1 3.49Å; V7-Y63 HydrophobicContact CG2-CE1 3.82Å; V7-Y63 WeakPolarHBondContact CG2-O 3.36Å; E10-Y63 PolarHBondContact OE1-OH 3.35Å; E10-Y63 WeakPolarHBondContact OE2-CE1 3.22Å; E10-Y63 PolarHBondContact OE2-OH 3.01Å; L59-Y63 HydrophobicContact CB-CD1 4.19Å; L59-Y63 HydrophobicContact CB-CG 4.22Å; L59-Y63 HydrophobicContact CD1-CD1 3.77Å; L59-Y63 HydrophobicContact CD1-CE1 3.94Å; L59-Y63 HydrophobicContact CD2-CD1 4.28Å; L59-Y63 HydrophobicContact CD2-CE1 4.43Å; L59-Y63 HydrophobicContact CD2-CG 4.36Å; L59-Y63 HydrophobicContact CG-CD1 4.3Å; D60-Y63 PolarHBondContact OD1-N 2.92Å; Y63-S66 WeakPolarHBondContact CA-OG 3.42Å; Y63-S66 WeakPolarHBondContact CD2-O 3.46Å; Y63-S66 PolarHBondContact N-OG 3.17Å; Y63-P68 HydrophobicContact CE2-CG 4.38Å; Y63-P101 WeakPolarHBondContact OH-CA 3.46Å; Y63-V102 HydrophobicContact CE2-CG1 4.19Å; Y63-V102 PolarHBondContact OH-N 3.27Å; Y63-L103 HydrophobicContact CE1-CD1 4.46Å; Y63-L103 HydrophobicContact CE1-CG 4.43Å; Y63-L103 HydrophobicContact CE2-CD2 4.38Å; Y63-L103 WeakPolarHBondContact OH-CG 3.5Å
64P90.4Very high93.1Very high6 Ų644.6 Ų44.64%0.03925%0.25CC..THydrogen-bonded Turncis-86.95.410.634.9-37.1000116.7S66 G99 S100P64-S66 VanDerWaalsContact C-N 3.27Å; P64-S66 PolarHBondContact O-N 3.08Å; P64-G99 WeakPolarHBondContact O-CA 3.4Å; P64-G99 PolarHBondContact O-N 2.72Å; P64-S100 WeakPolarHBondContact CB-O 3.2Å
65S90.4Very high92.9Very high91 Ų9146 Ų4664%0.63626%0.259SS*.SBendtrans-72.8-19.6179-52.10000113.6Q62Q62-S65 WeakPolarHBondContact O-CA 3.19Å; Q62-S65 WeakPolarHBondContact O-CB 3.32Å; Q62-S65 PolarHBondContact O-N 2.94Å; Q62-S65 PolarHBondContact O-OG 3.09Å
66S91.2Very high92.6Very high24 Ų2450.8 Ų50.817%0.16828%0.277CS..SBendtrans-110.2156.7171.452.10000110D60 Q62 Y63 P64D60-S66 PolarHBondContact OD1-OG 2.9Å; Q62-S66 VanDerWaalsContact C-OG 3.26Å; Q62-S66 WeakPolarHBondContact CB-OG 3.43Å; Y63-S66 WeakPolarHBondContact CA-OG 3.42Å; Y63-S66 WeakPolarHBondContact CD2-O 3.46Å; Y63-S66 PolarHBondContact N-OG 3.17Å; P64-S66 VanDerWaalsContact C-N 3.27Å; P64-S66 PolarHBondContact O-N 3.08Å
67S92.4Very high92Very high36 Ų3650.9 Ų50.925%0.25228%0.279SS..  trans-70.9141.2171.1176.50000110.5A94 L98S67-A94 VanDerWaalsContact OG-CB 3.31Å; S67-A94 WeakPolarHBondContact OG-CB 3.35Å; S67-L98 VanDerWaalsContact N-CD2 3.35Å
68P94.4Very high91.6Very high4 Ų451.7 Ų51.73%0.02628%0.284CS..  trans-59.7149.8163.828.7-35.8000110.8L59 Y63 I70 A94 V102 L103 L106L59-P68 HydrophobicContact CD2-CB 3.74Å; Y63-P68 HydrophobicContact CE2-CG 4.38Å; P68-I70 PolarHBondContact O-N 3.14Å; P68-A94 HydrophobicContact CG-CB 4.42Å; P68-V102 HydrophobicContact CG-CG1 4.41Å; P68-L103 HydrophobicContact CB-CD2 4.32Å; P68-L103 HydrophobicContact CG-CD2 4.32Å; P68-L106 HydrophobicContact CG-CD1 3.66Å
69V94.8Very high91.3Very high94 Ų9452.1 Ų52.157%0.5729%0.287SS*.EExtended strand (participates in β ladder)trans-83.6114.2172.5179.80000108.8T58T58-V69 PolarHBondContact N-O 3.24Å; T58-V69 PolarHBondContact O-N 2.77Å
70I96.1Very high91.2Very high12 Ų1258 Ų586%0.06232%0.319CS..EExtended strand (participates in β ladder)trans-93.9118.8-174.3-62.1152.4000110.3L55 L57 P68 Q87 L90 Q91 A94 L106L55-I70 HydrophobicContact CD1-CG2 3.97Å; L57-I70 HydrophobicContact CD2-CB 4.32Å; L57-I70 HydrophobicContact CD2-CG1 3.7Å; L57-I70 HydrophobicContact CD2-CG2 4.34Å; P68-I70 PolarHBondContact O-N 3.14Å; I70-Q87 PolarHBondContact O-NE2 3.48Å; I70-L90 HydrophobicContact CD1-CB 3.94Å; I70-L90 HydrophobicContact CG2-CB 4.29Å; I70-L90 HydrophobicContact CG2-CD1 4.19Å; I70-Q91 HydrophobicContact CD1-CB 4.22Å; I70-A94 HydrophobicContact CD1-CB 4.23Å; I70-L106 HydrophobicContact CD1-CD1 4.33Å; I70-L106 HydrophobicContact CG1-CD1 4.45Å
71S95.3Very high91.2Very high37 Ų3761.1 Ų61.126%0.25934%0.336SS..EExtended strand (participates in β ladder)trans-120.6142.2174.6-60.60000111.3T56 H73T56-S71 PolarHBondContact N-O 2.91Å; T56-S71 PolarHBondContact O-N 2.96Å; S71-H73 WeakPolarHBondContact CB-NE2 3.38Å
72I95.3Very high91.2Very high36 Ų3658.3 Ų58.319%0.18532%0.318CS..EExtended strand (participates in β ladder)trans-117125.5177.2-58.6175.5000108.8L53 L83 V86 Q87L53-I72 HydrophobicContact CB-CG2 3.97Å; L53-I72 HydrophobicContact CD1-CG2 4.36Å; L53-I72 HydrophobicContact CD2-CG2 3.88Å; L53-I72 HydrophobicContact CG-CG2 4.3Å; I72-L83 HydrophobicContact CG2-CD2 4.09Å; I72-V86 HydrophobicContact CD1-CB 4.18Å; I72-V86 HydrophobicContact CD1-CG1 3.78Å; I72-Q87 HydrophobicContact CD1-CB 4.09Å
73H93.6Very high91.4Very high88 Ų8853.3 Ų53.341%0.40730%0.295SS..EExtended strand (participates in β ladder)trans-124.2159.5-179.3-58.6-67.7000111.7T54 T56 S71 P75T54-H73 PolarHBondContact N-O 3.48Å; T54-H73 PolarHBondContact O-N 3.48Å; T56-H73 PolarHBondContact OG1-CD2 3.22Å; S71-H73 WeakPolarHBondContact CB-NE2 3.38Å; H73-P75 VanDerWaalsContact C-N 3.35Å; H73-P75 WeakPolarHBondContact O-CD 3.34Å; H73-P75 VanDerWaalsContact O-N 3.15Å
74N91.1Very high91.6Very high111 Ų11155.6 Ų55.659%0.59431%0.312SS*.EExtended strand (participates in β ladder)trans47.737.8176-58.2-44.2000117.1
75P91.3Very high91.8Very high49 Ų4958.8 Ų58.832%0.31834%0.335SS..EExtended strand (participates in β ladder)trans-64.1141.7-177.429.8-36.5000112R52 L53 H73 L83R52-P75 CarbonylContact O-C 3.58Å; R52-P75 WeakPolarHBondContact O-CA 3.17Å; L53-P75 HydrophobicContact CB-CB 4.45Å; H73-P75 VanDerWaalsContact C-N 3.35Å; H73-P75 WeakPolarHBondContact O-CD 3.34Å; H73-P75 VanDerWaalsContact O-N 3.15Å; P75-L83 HydrophobicContact CB-CD1 3.84Å; P75-L83 HydrophobicContact CB-CD2 3.56Å; P75-L83 HydrophobicContact CB-CG 4.34Å; P75-L83 HydrophobicContact CG-CD1 3.7Å; P75-L83 HydrophobicContact CG-CD2 4.17Å
76R89.7Confident91.9Very high105 Ų10554.7 Ų54.740%0.39631%0.306SS..EExtended strand (participates in β ladder)trans-136.9134175-63.3-66.3175.2154.4-4.3110V51 R52 L78 Y143V51-R76 WeakPolarHBondContact CA-O 3.45Å; R52-R76 HydrophobicContact CG-CB 3.95Å; R52-R76 HydrophobicContact CG-CG 4.26Å; R52-R76 PolarHBondContact N-O 3.05Å; R52-R76 VanDerWaalsContact N-O 3.09Å; R52-R76 PolarHBondContact O-N 3.35Å; R76-L78 VanDerWaalsContact C-N 3.3Å; R76-L78 PolarHBondContact O-N 3.25Å; R76-Y143 HydrophobicContact CB-CD1 4.15Å; R76-Y143 HydrophobicContact CG-CD1 4.46Å
77G85.8Confident92.1Very high8 Ų857.6 Ų57.68%0.08232%0.317CS..SBendtrans78.52.9-179.700000115.4P120 H121 Y145G77-P120 CarbonylContact O-C 3.37Å; G77-P120 WeakPolarHBondContact O-CA 3.48Å; G77-H121 PolarHBondContact O-N 2.93Å; G77-Y145 PolarHBondContact N-OH 3.46Å
78L87.3Confident92.3Very high19 Ų1963 Ų6310%0.09934%0.335CS..  trans-110.3146.3178.7-62.2170.9000110.8V51 L53 R76 L83 L114V51-L78 HydrophobicContact CB-CD2 4.27Å; V51-L78 HydrophobicContact CB-CG 4.32Å; V51-L78 HydrophobicContact CG1-CD2 3.88Å; V51-L78 HydrophobicContact CG1-CG 4.21Å; L53-L78 HydrophobicContact CD2-CD1 4.01Å; R76-L78 VanDerWaalsContact C-N 3.3Å; R76-L78 PolarHBondContact O-N 3.25Å; L78-L83 HydrophobicContact CB-CD2 3.92Å; L78-L83 HydrophobicContact CB-CG 3.97Å; L78-L83 HydrophobicContact CD1-CD2 3.66Å; L78-L83 HydrophobicContact CG-CD2 4.47Å; L78-L114 HydrophobicContact CD1-CD2 3.78Å
79S87.7Confident92.3Very high33 Ų3365 Ų6523%0.23135%0.349CS..  trans-85.9158.9171.161.60000111.9D81 K82 L83S79-D81 PolarHBondContact O-N 3.08Å; S79-K82 WeakPolarHBondContact O-CB 3.48Å; S79-K82 PolarHBondContact O-N 2.94Å; S79-K82 WeakPolarHBondContact OG-CG 3.37Å; S79-K82 PolarHBondContact OG-N 3.43Å; S79-L83 WeakPolarHBondContact O-CG 2.81Å; S79-L83 PolarHBondContact O-N 3.31Å
80D90.2Very high92.4Very high126 Ų12660.5 Ų60.567%0.67432%0.322SS*.Hα-helixtrans-59.3-34.2178.4-58.8-37.7000112.7S84D80-S84 VanDerWaalsContact O-CB 3.29Å; D80-S84 WeakPolarHBondContact O-CB 3.23Å; D80-S84 PolarHBondContact O-N 3.29Å; D80-S84 PolarHBondContact O-OG 3.2Å
81D90.7Very high92.4Very high134 Ų13464.1 Ų64.172%0.71734%0.339SS*.Hα-helixtrans-64-44.4172.8-61.9-54.2000111.9S79 S84 S85S79-D81 PolarHBondContact O-N 3.08Å; D81-S84 PolarHBondContact O-N 2.67Å; D81-S85 WeakPolarHBondContact O-CB 3.42Å; D81-S85 PolarHBondContact O-N 3.39Å
82K89.9Confident92.4Very high74 Ų7465.1 Ų65.132%0.32235%0.349SS..Hα-helixtrans-67.3-42.1177-78.8-79.5-166.8162.40111.2S79 S84 S85 V86 S117S79-K82 WeakPolarHBondContact O-CB 3.48Å; S79-K82 PolarHBondContact O-N 2.94Å; S79-K82 WeakPolarHBondContact OG-CG 3.37Å; S79-K82 PolarHBondContact OG-N 3.43Å; K82-S84 VanDerWaalsContact C-N 3.34Å; K82-S84 PolarHBondContact O-N 3.34Å; K82-S85 CarbonylContact O-C 3.59Å; K82-S85 WeakPolarHBondContact O-CA 3.44Å; K82-S85 WeakPolarHBondContact O-CB 3.49Å; K82-S85 PolarHBondContact O-N 2.94Å; K82-S85 VanDerWaalsContact O-N 3.09Å; K82-V86 VanDerWaalsContact O-CG2 3.29Å; K82-V86 WeakPolarHBondContact O-CG2 3.27Å; K82-V86 PolarHBondContact O-N 3Å; K82-S117 PolarHBondContact NZ-OG 3.48Å
83L92.7Very high92.4Very high25 Ų2565.1 Ų65.113%0.13135%0.348CS..Hα-helixtrans-60.5-44174.6-68.1168.1000111.5I72 P75 L78 S79 S85 V86 Q87I72-L83 HydrophobicContact CG2-CD2 4.09Å; P75-L83 HydrophobicContact CB-CD1 3.84Å; P75-L83 HydrophobicContact CB-CD2 3.56Å; P75-L83 HydrophobicContact CB-CG 4.34Å; P75-L83 HydrophobicContact CG-CD1 3.7Å; P75-L83 HydrophobicContact CG-CD2 4.17Å; L78-L83 HydrophobicContact CB-CD2 3.92Å; L78-L83 HydrophobicContact CB-CG 3.97Å; L78-L83 HydrophobicContact CD1-CD2 3.66Å; L78-L83 HydrophobicContact CG-CD2 4.47Å; S79-L83 WeakPolarHBondContact O-CG 2.81Å; S79-L83 PolarHBondContact O-N 3.31Å; L83-S85 VanDerWaalsContact C-N 3.26Å; L83-S85 PolarHBondContact O-N 3.2Å; L83-V86 PolarHBondContact O-N 3.38Å; L83-Q87 PolarHBondContact O-N 3.07Å
84S93.8Very high92.4Very high55 Ų5561 Ų6139%0.38533%0.329SS..Hα-helixtrans-62.3-33.3173.5-60.20000112.6D80 D81 K82 K88D80-S84 VanDerWaalsContact O-CB 3.29Å; D80-S84 WeakPolarHBondContact O-CB 3.23Å; D80-S84 PolarHBondContact O-N 3.29Å; D80-S84 PolarHBondContact O-OG 3.2Å; D81-S84 PolarHBondContact O-N 2.67Å; K82-S84 VanDerWaalsContact C-N 3.34Å; K82-S84 PolarHBondContact O-N 3.34Å; S84-K88 WeakPolarHBondContact O-CB 3.24Å; S84-K88 VanDerWaalsContact O-CD 3.31Å; S84-K88 WeakPolarHBondContact O-CD 3.42Å; S84-K88 WeakPolarHBondContact O-CG 3.37Å; S84-K88 PolarHBondContact O-N 3.43Å
85S93.7Very high92.6Very high74 Ų7460.6 Ų60.652%0.51732%0.324SS..Hα-helixtrans-72.7-44.4175.6-160.80000112.1D81 K82 L83 K88 C89D81-S85 WeakPolarHBondContact O-CB 3.42Å; D81-S85 PolarHBondContact O-N 3.39Å; K82-S85 CarbonylContact O-C 3.59Å; K82-S85 WeakPolarHBondContact O-CA 3.44Å; K82-S85 WeakPolarHBondContact O-CB 3.49Å; K82-S85 PolarHBondContact O-N 2.94Å; K82-S85 VanDerWaalsContact O-N 3.09Å; L83-S85 VanDerWaalsContact C-N 3.26Å; L83-S85 PolarHBondContact O-N 3.2Å; S85-K88 PolarHBondContact O-N 3.12Å; S85-C89 WeakPolarHBondContact O-CB 3.36Å; S85-C89 PolarHBondContact O-N 2.75Å
86V94.1Very high92.7Very high4 Ų462.2 Ų62.22%0.02434%0.336CS..Hα-helixtrans-57.3-52.5174.8173.70000110I72 K82 L83 K88 C89 L90 I113I72-V86 HydrophobicContact CD1-CB 4.18Å; I72-V86 HydrophobicContact CD1-CG1 3.78Å; K82-V86 VanDerWaalsContact O-CG2 3.29Å; K82-V86 WeakPolarHBondContact O-CG2 3.27Å; K82-V86 PolarHBondContact O-N 3Å; L83-V86 PolarHBondContact O-N 3.38Å; V86-K88 VanDerWaalsContact C-N 3.34Å; V86-K88 PolarHBondContact O-N 3.41Å; V86-C89 PolarHBondContact O-N 2.79Å; V86-C89 VanDerWaalsContact O-N 3.16Å; V86-L90 HydrophobicContact CG1-CD1 3.8Å; V86-L90 HydrophobicContact CG1-CG 4.3Å; V86-L90 WeakPolarHBondContact O-CG 3.41Å; V86-L90 PolarHBondContact O-N 3.35Å; V86-I113 HydrophobicContact CG2-CB 4.48Å; V86-I113 HydrophobicContact CG2-CG2 3.64Å
87Q95.3Very high92.8Very high85 Ų8562.9 Ų62.940%0.39734%0.339SS..Hα-helixtrans-59.7-42.7-178.2-169.91789.200112.1I70 I72 L83 Q91I70-Q87 PolarHBondContact O-NE2 3.48Å; I72-Q87 HydrophobicContact CD1-CB 4.09Å; L83-Q87 PolarHBondContact O-N 3.07Å; Q87-Q91 WeakPolarHBondContact O-CB 3.43Å; Q87-Q91 PolarHBondContact O-N 3.4Å
88K95.6Very high93.1Very high149 Ų14967 Ų6765%0.64836%0.358SS*.Hα-helixtrans-66.1-38.8176.2-72.6169.1-171.9171.30112.8S84 S85 V86 Q91 A92S84-K88 WeakPolarHBondContact O-CB 3.24Å; S84-K88 VanDerWaalsContact O-CD 3.31Å; S84-K88 WeakPolarHBondContact O-CD 3.42Å; S84-K88 WeakPolarHBondContact O-CG 3.37Å; S84-K88 PolarHBondContact O-N 3.43Å; S85-K88 PolarHBondContact O-N 3.12Å; V86-K88 VanDerWaalsContact C-N 3.34Å; V86-K88 PolarHBondContact O-N 3.41Å; K88-Q91 PolarHBondContact O-N 3Å; K88-A92 WeakPolarHBondContact O-CB 3.24Å; K88-A92 PolarHBondContact O-N 3.49Å
89C95.6Very high93.2Very high46 Ų4668.5 Ų68.531%0.31138%0.379SS..Hα-helixtrans-66.9-45.5178.3-173.50000111.3S85 V86 Q91 A92 E93 I113S85-C89 WeakPolarHBondContact O-CB 3.36Å; S85-C89 PolarHBondContact O-N 2.75Å; V86-C89 PolarHBondContact O-N 2.79Å; V86-C89 VanDerWaalsContact O-N 3.16Å; C89-Q91 PolarHBondContact O-N 3.22Å; C89-A92 PolarHBondContact O-N 3.21Å; C89-E93 PolarHBondContact O-N 3.31Å; C89-I113 HydrophobicContact CB-CD1 3.97Å
90L96.1Very high93.3Very high0 Ų068.8 Ų68.80%038%0.381CS..Hα-helixtrans-64.3-38.3175.6-64.4176.2000112.2L55 I70 V86 E93 A94 L106 K109 A110L55-L90 HydrophobicContact CD1-CD1 4Å; I70-L90 HydrophobicContact CD1-CB 3.94Å; I70-L90 HydrophobicContact CG2-CB 4.29Å; I70-L90 HydrophobicContact CG2-CD1 4.19Å; V86-L90 HydrophobicContact CG1-CD1 3.8Å; V86-L90 HydrophobicContact CG1-CG 4.3Å; V86-L90 WeakPolarHBondContact O-CG 3.41Å; V86-L90 PolarHBondContact O-N 3.35Å; L90-E93 PolarHBondContact O-N 2.96Å; L90-A94 WeakPolarHBondContact O-CB 3.46Å; L90-A94 PolarHBondContact O-N 3.35Å; L90-L106 HydrophobicContact CB-CD2 4.37Å; L90-L106 HydrophobicContact CD2-CD2 4.34Å; L90-L106 WeakPolarHBondContact CD2-O 3.27Å; L90-L106 VanDerWaalsContact O-CD2 3.23Å; L90-L106 WeakPolarHBondContact O-CD2 3.23Å; L90-K109 HydrophobicContact CD2-CB 3.98Å; L90-K109 HydrophobicContact CD2-CG 4.08Å; L90-A110 HydrophobicContact CD1-CB 4Å; L90-A110 HydrophobicContact CD2-CB 4.01Å
91Q95.5Very high93.3Very high89 Ų8965.9 Ų65.942%0.41637%0.369SS..Hα-helixtrans-67-41.8175.4-177172.9-12.600112I70 Q87 K88 C89 A94 E95I70-Q91 HydrophobicContact CD1-CB 4.22Å; Q87-Q91 WeakPolarHBondContact O-CB 3.43Å; Q87-Q91 PolarHBondContact O-N 3.4Å; K88-Q91 PolarHBondContact O-N 3Å; C89-Q91 PolarHBondContact O-N 3.22Å; Q91-A94 PolarHBondContact O-N 2.85Å; Q91-E95 HydrophobicContact CG-CG 4.41Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.33Å; Q91-E95 PolarHBondContact NE2-OE1 3.44Å; Q91-E95 WeakPolarHBondContact O-CB 3.38Å; Q91-E95 WeakPolarHBondContact O-CG 3.16Å; Q91-E95 PolarHBondContact O-N 2.83Å
92A95.7Very high93.5Very high58 Ų5859.8 Ų59.848%0.47934%0.337SS..Hα-helixtrans-65.5-37.2176.200000112.6K88 C89 S96K88-A92 WeakPolarHBondContact O-CB 3.24Å; K88-A92 PolarHBondContact O-N 3.49Å; C89-A92 PolarHBondContact O-N 3.21Å; A92-S96 PolarHBondContact O-N 3.45Å; A92-S96 VanDerWaalsContact O-N 3.14Å
93E95.4Very high93.7Very high36 Ų3656.3 Ų56.317%0.16832%0.321CS..Hα-helixtrans-60.7-51.6171.1-170.176.3-156.600109.9C89 L90 E95 S96 W97 Q105 L106C89-E93 PolarHBondContact O-N 3.31Å; L90-E93 PolarHBondContact O-N 2.96Å; E93-E95 VanDerWaalsContact C-N 3.35Å; E93-E95 PolarHBondContact O-N 2.86Å; E93-S96 WeakPolarHBondContact O-CB 3.42Å; E93-S96 PolarHBondContact O-N 3.16Å; E93-S96 PolarHBondContact O-OG 3.04Å; E93-W97 VanDerWaalsContact O-CD1 3.26Å; E93-W97 PolarHBondContact O-N 3.15Å; E93-W97 PolarHBondContact OE1-NE1 3.34Å; E93-Q105 HydrophobicContact CG-CG 4.1Å; E93-Q105 WeakPolarHBondContact OE1-CG 3.48Å; E93-Q105 PolarHBondContact OE1-NE2 2.85Å; E93-L106 HydrophobicContact CB-CD2 3.96Å; E93-L106 HydrophobicContact CG-CD2 4.05Å
94A94.6Very high93.8Very high1 Ų160.2 Ų60.21%0.00834%0.335CS..Hα-helixtrans-59.1-4117900000113.4S67 P68 I70 L90 Q91 S96 W97 L106S67-A94 VanDerWaalsContact OG-CB 3.31Å; S67-A94 WeakPolarHBondContact OG-CB 3.35Å; P68-A94 HydrophobicContact CG-CB 4.42Å; I70-A94 HydrophobicContact CD1-CB 4.23Å; L90-A94 WeakPolarHBondContact O-CB 3.46Å; L90-A94 PolarHBondContact O-N 3.35Å; Q91-A94 PolarHBondContact O-N 2.85Å; A94-S96 PolarHBondContact O-N 3.33Å; A94-W97 PolarHBondContact O-N 3Å; A94-L106 HydrophobicContact CB-CD1 4.13Å; A94-L106 HydrophobicContact CB-CD2 4.09Å
95E93.9Very high93.9Very high103 Ų10361.2 Ų61.248%0.48133%0.334SS..Hα-helixtrans-66.9-23.3175.3-74.1174.1-166.800112.8Q91 E93 L98Q91-E95 HydrophobicContact CG-CG 4.41Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.33Å; Q91-E95 PolarHBondContact NE2-OE1 3.44Å; Q91-E95 WeakPolarHBondContact O-CB 3.38Å; Q91-E95 WeakPolarHBondContact O-CG 3.16Å; Q91-E95 PolarHBondContact O-N 2.83Å; E93-E95 VanDerWaalsContact C-N 3.35Å; E93-E95 PolarHBondContact O-N 2.86Å; E95-L98 WeakPolarHBondContact O-CD1 3.17Å; E95-L98 WeakPolarHBondContact O-CG 3.35Å
96S94.3Very high94Very high82 Ų8257.7 Ų57.757%0.57331%0.309SS*.Hα-helixtrans-81.9-22.6177.376.90000114.5A92 E93 A94A92-S96 PolarHBondContact O-N 3.45Å; A92-S96 VanDerWaalsContact O-N 3.14Å; E93-S96 WeakPolarHBondContact O-CB 3.42Å; E93-S96 PolarHBondContact O-N 3.16Å; E93-S96 PolarHBondContact O-OG 3.04Å; A94-S96 PolarHBondContact O-N 3.33Å
97W91.4Very high94.1Very high120 Ų12057.6 Ų57.646%0.45531%0.308SS..SBendtrans-105.815.3-178-68.2103.8000113.5E93 A94 G99 S100 V102E93-W97 VanDerWaalsContact O-CD1 3.26Å; E93-W97 PolarHBondContact O-N 3.15Å; E93-W97 PolarHBondContact OE1-NE1 3.34Å; A94-W97 PolarHBondContact O-N 3Å; W97-G99 PolarHBondContact O-N 3.05Å; W97-S100 PolarHBondContact O-N 3.49Å; W97-S100 PolarHBondContact O-OG 3.48Å; W97-V102 HydrophobicContact CB-CB 4.07Å; W97-V102 HydrophobicContact CB-CG2 3.59Å; W97-V102 HydrophobicContact CG-CG2 3.77Å
98L92.3Very high94Very high93 Ų9356.1 Ų56.149%0.48730%0.302SS..THydrogen-bonded Turntrans-52.3132.1179.7-71.6172.7000112.5S67 E95S67-L98 VanDerWaalsContact N-CD2 3.35Å; E95-L98 WeakPolarHBondContact O-CD1 3.17Å; E95-L98 WeakPolarHBondContact O-CG 3.35Å
99G88.3Confident94Very high52 Ų5251.6 Ų51.654%0.53628%0.282SS..THydrogen-bonded Turntrans88.43.7-172.100000114.3P64 W97P64-G99 WeakPolarHBondContact O-CA 3.4Å; P64-G99 PolarHBondContact O-N 2.72Å; W97-G99 PolarHBondContact O-N 3.05Å
100S90Very high94Very high38 Ų3849.4 Ų49.427%0.26627%0.267SS..SBendtrans-136.9150.9175.565.70000113.2P64 W97 V102P64-S100 WeakPolarHBondContact CB-O 3.2Å; W97-S100 PolarHBondContact O-N 3.49Å; W97-S100 PolarHBondContact O-OG 3.48Å; S100-V102 PolarHBondContact O-N 3.17Å
101P91.1Very high93.9Very high66 Ų6651 Ų5143%0.42927%0.274SS..  trans-59.5129.3174.1-24.135.2000112.2E10 Y63E10-P101 HydrophobicContact CB-CB 4.36Å; E10-P101 VanDerWaalsContact CD-CB 3.48Å; E10-P101 HydrophobicContact CG-CB 4.29Å; E10-P101 WeakPolarHBondContact OE1-CB 3.49Å; Y63-P101 WeakPolarHBondContact OH-CA 3.46Å
102V94.7Very high93.8Very high6 Ų651.1 Ų51.14%0.03628%0.275CS..  trans-135.3-2.5-169.275.40000114.5E10 Y63 P68 W97 S100 Y104 Q105 L106E10-V102 PolarHBondContact OE1-N 3.05Å; Y63-V102 HydrophobicContact CE2-CG1 4.19Å; Y63-V102 PolarHBondContact OH-N 3.27Å; P68-V102 HydrophobicContact CG-CG1 4.41Å; W97-V102 HydrophobicContact CB-CB 4.07Å; W97-V102 HydrophobicContact CB-CG2 3.59Å; W97-V102 HydrophobicContact CG-CG2 3.77Å; S100-V102 PolarHBondContact O-N 3.17Å; V102-Y104 PolarHBondContact O-N 3.43Å; V102-Q105 HydrophobicContact CG2-CB 4Å; V102-Q105 HydrophobicContact CG2-CG 4.27Å; V102-Q105 WeakPolarHBondContact O-CB 3.45Å; V102-Q105 PolarHBondContact O-N 3.34Å; V102-Q105 VanDerWaalsContact O-N 3.08Å; V102-L106 HydrophobicContact CG1-CD1 4.03Å; V102-L106 HydrophobicContact CG1-CG 4.27Å; V102-L106 HydrophobicContact CG2-CG 4.25Å; V102-L106 WeakPolarHBondContact O-CG 3.27Å; V102-L106 PolarHBondContact O-N 2.81Å
103L94.7Very high93.6Very high0 Ų049.4 Ų49.40%026%0.257CS..Hα-helixtrans-62.1-40.8-171.2-57.8-179.8000112.8E10 L14 V34 L57 L59 Y63 P68 L106 I107E10-L103 HydrophobicContact CG-CB 4.36Å; E10-L103 HydrophobicContact CG-CD1 4.19Å; E10-L103 HydrophobicContact CG-CG 4.41Å; E10-L103 WeakPolarHBondContact OE1-CB 3.41Å; E10-L103 WeakPolarHBondContact OE1-CG 3.44Å; E10-L103 PolarHBondContact OE1-N 3.28Å; E10-L103 WeakPolarHBondContact OE2-CD1 3.46Å; E10-L103 WeakPolarHBondContact OE2-CG 3.44Å; L14-L103 HydrophobicContact CD1-CB 3.7Å; L14-L103 HydrophobicContact CD1-CD1 4.03Å; V34-L103 HydrophobicContact CG2-CD1 4.42Å; L57-L103 HydrophobicContact CB-CD2 4.26Å; L57-L103 HydrophobicContact CD1-CB 4.28Å; L57-L103 HydrophobicContact CD1-CD2 3.72Å; L59-L103 HydrophobicContact CD1-CD1 3.88Å; L59-L103 HydrophobicContact CD2-CD1 4.19Å; L59-L103 HydrophobicContact CD2-CD2 3.57Å; L59-L103 HydrophobicContact CD2-CG 4.48Å; Y63-L103 HydrophobicContact CE1-CD1 4.46Å; Y63-L103 HydrophobicContact CE1-CG 4.43Å; Y63-L103 HydrophobicContact CE2-CD2 4.38Å; Y63-L103 WeakPolarHBondContact OH-CG 3.5Å; P68-L103 HydrophobicContact CB-CD2 4.32Å; P68-L103 HydrophobicContact CG-CD2 4.32Å; L103-L106 PolarHBondContact O-N 2.95Å; L103-I107 WeakPolarHBondContact O-CG1 3.14Å; L103-I107 PolarHBondContact O-N 3.35Å
104Y94.9Very high93.5Very high108 Ų10847.8 Ų47.842%0.42425%0.249SC..Hα-helixtrans-61.8-44.5174.1-179.5-97.7000111.7L14 I17 Y18 V102 L106 I107 E108L14-Y104 HydrophobicContact CD2-CD2 4.04Å; I17-Y104 HydrophobicContact CD1-CD2 3.99Å; I17-Y104 HydrophobicContact CD1-CE2 3.95Å; I17-Y104 HydrophobicContact CG2-CE2 4.5Å; Y18-Y104 HydrophobicContact CE2-CD2 4.45Å; Y18-Y104 WeakPolarHBondContact OH-CE2 3.41Å; V102-Y104 PolarHBondContact O-N 3.43Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 2.88Å; Y104-I107 PolarHBondContact O-N 2.76Å; Y104-E108 HydrophobicContact CD1-CG 4.26Å; Y104-E108 HydrophobicContact CD2-CG 4.49Å; Y104-E108 HydrophobicContact CE1-CG 3.68Å; Y104-E108 HydrophobicContact CE2-CG 3.96Å; Y104-E108 PolarHBondContact O-N 2.78Å
105Q94.6Very high93.3Very high75 Ų7550.2 Ų50.235%0.3527%0.265SS..Hα-helixtrans-61.5-40.1178.2-179.966.65.500111.4E93 V102 K109E93-Q105 HydrophobicContact CG-CG 4.1Å; E93-Q105 WeakPolarHBondContact OE1-CG 3.48Å; E93-Q105 PolarHBondContact OE1-NE2 2.85Å; V102-Q105 HydrophobicContact CG2-CB 4Å; V102-Q105 HydrophobicContact CG2-CG 4.27Å; V102-Q105 WeakPolarHBondContact O-CB 3.45Å; V102-Q105 PolarHBondContact O-N 3.34Å; V102-Q105 VanDerWaalsContact O-N 3.08Å; Q105-K109 WeakPolarHBondContact O-CB 3.26Å; Q105-K109 PolarHBondContact O-N 3.32Å
106L95.9Very high93.1Very high0 Ų052.2 Ų52.20%027%0.274CS..Hα-helixtrans-67-38.4174.5-64.8-179.8000113L57 P68 I70 L90 E93 A94 V102 L103 Y104 A110L57-L106 HydrophobicContact CD1-CB 4.28Å; L57-L106 HydrophobicContact CD1-CD1 4.28Å; L57-L106 HydrophobicContact CD2-CD1 4.14Å; P68-L106 HydrophobicContact CG-CD1 3.66Å; I70-L106 HydrophobicContact CD1-CD1 4.33Å; I70-L106 HydrophobicContact CG1-CD1 4.45Å; L90-L106 HydrophobicContact CB-CD2 4.37Å; L90-L106 HydrophobicContact CD2-CD2 4.34Å; L90-L106 WeakPolarHBondContact CD2-O 3.27Å; L90-L106 VanDerWaalsContact O-CD2 3.23Å; L90-L106 WeakPolarHBondContact O-CD2 3.23Å; E93-L106 HydrophobicContact CB-CD2 3.96Å; E93-L106 HydrophobicContact CG-CD2 4.05Å; A94-L106 HydrophobicContact CB-CD1 4.13Å; A94-L106 HydrophobicContact CB-CD2 4.09Å; V102-L106 HydrophobicContact CG1-CD1 4.03Å; V102-L106 HydrophobicContact CG1-CG 4.27Å; V102-L106 HydrophobicContact CG2-CG 4.25Å; V102-L106 WeakPolarHBondContact O-CG 3.27Å; V102-L106 PolarHBondContact O-N 2.81Å; L103-L106 PolarHBondContact O-N 2.95Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 2.88Å; L106-A110 VanDerWaalsContact O-CB 3.31Å; L106-A110 WeakPolarHBondContact O-CB 3.41Å; L106-A110 PolarHBondContact O-N 3.09Å
107I95.4Very high92.7Very high2 Ų248.7 Ų48.71%0.0125%0.249CC..Hα-helixtrans-64.9-49.2176.9-73.1163.7000110.6L14 Y18 L36 L38 L55 L103 Y104 A110 K111L14-I107 HydrophobicContact CD2-CD1 3.99Å; Y18-I107 HydrophobicContact CE2-CD1 4.02Å; Y18-I107 HydrophobicContact CE2-CG2 3.99Å; Y18-I107 WeakPolarHBondContact OH-CG2 3.47Å; L36-I107 HydrophobicContact CD2-CD1 4.15Å; L36-I107 HydrophobicContact CD2-CG1 4.39Å; L36-I107 HydrophobicContact CD2-CG2 3.79Å; L38-I107 HydrophobicContact CD2-CG2 4.02Å; L55-I107 HydrophobicContact CD2-CG1 4.21Å; L103-I107 WeakPolarHBondContact O-CG1 3.14Å; L103-I107 PolarHBondContact O-N 3.35Å; Y104-I107 PolarHBondContact O-N 2.76Å; I107-A110 PolarHBondContact O-N 3.4Å; I107-K111 WeakPolarHBondContact O-CG 3.14Å; I107-K111 PolarHBondContact O-N 3.12Å
108E94.6Very high92.5Very high55 Ų5544.2 Ų44.226%0.25723%0.234SC..Hα-helixtrans-68.2-38.9178.5-66.9-53.3125.100111.9Y18 Y104 A110 K111 E112Y18-E108 PolarHBondContact OH-OE1 3.33Å; Y104-E108 HydrophobicContact CD1-CG 4.26Å; Y104-E108 HydrophobicContact CD2-CG 4.49Å; Y104-E108 HydrophobicContact CE1-CG 3.68Å; Y104-E108 HydrophobicContact CE2-CG 3.96Å; Y104-E108 PolarHBondContact O-N 2.78Å; E108-A110 VanDerWaalsContact C-N 3.28Å; E108-A110 PolarHBondContact O-N 3.48Å; E108-K111 WeakPolarHBondContact O-CB 3.4Å; E108-K111 PolarHBondContact O-N 3.28Å; E108-K111 VanDerWaalsContact O-N 3.13Å; E108-K111 WeakPolarHBondContact OE1-CE 3.43Å; E108-K111 IonicContact OE1-NZ 3.69Å; E108-K111 PolarHBondContact OE1-NZ 3.4Å; E108-E112 PolarHBondContact O-N 3.05Å
109K95.3Very high92Very high53 Ų5342.6 Ų42.623%0.2323%0.225CC..Hα-helixtrans-62.2-36.1174.6-170.557.1172.61790112.2L90 Q105 E112 I113L90-K109 HydrophobicContact CD2-CB 3.98Å; L90-K109 HydrophobicContact CD2-CG 4.08Å; Q105-K109 WeakPolarHBondContact O-CB 3.26Å; Q105-K109 PolarHBondContact O-N 3.32Å; K109-E112 VanDerWaalsContact CD-OE2 3.25Å; K109-E112 WeakPolarHBondContact CD-OE2 3.47Å; K109-E112 WeakPolarHBondContact CE-OE2 3.3Å; K109-E112 IonicContact NZ-OE2 3.17Å; K109-E112 PolarHBondContact NZ-OE2 2.93Å; K109-I113 HydrophobicContact CG-CD1 4.33Å; K109-I113 WeakPolarHBondContact O-CD1 3.44Å; K109-I113 VanDerWaalsContact O-CG1 3.29Å; K109-I113 WeakPolarHBondContact O-CG1 3.22Å; K109-I113 PolarHBondContact O-N 3.37Å
110A94.9Very high91.7Very high0 Ų040.2 Ų40.20%020%0.2CC..Hα-helixtrans-66.7-41.7173.400000112L38 L55 L90 L106 I107 E108 I113 L114L38-A110 HydrophobicContact CD1-CB 3.41Å; L38-A110 VanDerWaalsContact CD1-CB 3.41Å; L55-A110 HydrophobicContact CD2-CB 4.1Å; L90-A110 HydrophobicContact CD1-CB 4Å; L90-A110 HydrophobicContact CD2-CB 4.01Å; L106-A110 VanDerWaalsContact O-CB 3.31Å; L106-A110 WeakPolarHBondContact O-CB 3.41Å; L106-A110 PolarHBondContact O-N 3.09Å; I107-A110 PolarHBondContact O-N 3.4Å; E108-A110 VanDerWaalsContact C-N 3.28Å; E108-A110 PolarHBondContact O-N 3.48Å; A110-I113 PolarHBondContact O-N 3.03Å; A110-L114 VanDerWaalsContact O-CG 3.27Å; A110-L114 WeakPolarHBondContact O-CG 3.31Å; A110-L114 PolarHBondContact O-N 3.45Å
111K93.8Very high91.3Very high34 Ų3442.2 Ų42.215%0.14821%0.205CC..Hα-helixtrans-63.4-39.9174.5-68.7175.2-170.9171.10112.6Y18 L38 I107 E108 L114 T115Y18-K111 VanDerWaalsContact CE1-NZ 3.26Å; Y18-K111 PolarHBondContact OH-NZ 3.13Å; L38-K111 HydrophobicContact CD2-CG 4.17Å; I107-K111 WeakPolarHBondContact O-CG 3.14Å; I107-K111 PolarHBondContact O-N 3.12Å; E108-K111 WeakPolarHBondContact O-CB 3.4Å; E108-K111 PolarHBondContact O-N 3.28Å; E108-K111 VanDerWaalsContact O-N 3.13Å; E108-K111 WeakPolarHBondContact OE1-CE 3.43Å; E108-K111 IonicContact OE1-NZ 3.69Å; E108-K111 PolarHBondContact OE1-NZ 3.4Å; K111-L114 PolarHBondContact O-N 3.05Å; K111-T115 WeakPolarHBondContact O-CB 3.48Å; K111-T115 PolarHBondContact O-N 2.95Å; K111-T115 PolarHBondContact O-OG1 3.37Å
112E94.1Very high90.9Very high92 Ų9240.9 Ų40.943%0.4320%0.204SC..Hα-helixtrans-57.4-53.4175.7-172.5-176.8-130.600110.5E108 K109 L114 T115 E116E108-E112 PolarHBondContact O-N 3.05Å; K109-E112 VanDerWaalsContact CD-OE2 3.25Å; K109-E112 WeakPolarHBondContact CD-OE2 3.47Å; K109-E112 WeakPolarHBondContact CE-OE2 3.3Å; K109-E112 IonicContact NZ-OE2 3.17Å; K109-E112 PolarHBondContact NZ-OE2 2.93Å; E112-L114 VanDerWaalsContact C-N 3.31Å; E112-L114 PolarHBondContact O-N 3.25Å; E112-T115 WeakPolarHBondContact O-CA 3.43Å; E112-T115 WeakPolarHBondContact O-CB 3.31Å; E112-T115 PolarHBondContact O-N 2.82Å; E112-E116 PolarHBondContact O-N 3.27Å
113I92.6Very high90.6Very high21 Ų2145.5 Ų45.511%0.10823%0.228CC..Hα-helixtrans-63.9-35.4-179.6-56.6159.3000111.9V86 C89 K109 A110 T115 S117V86-I113 HydrophobicContact CG2-CB 4.48Å; V86-I113 HydrophobicContact CG2-CG2 3.64Å; C89-I113 HydrophobicContact CB-CD1 3.97Å; K109-I113 HydrophobicContact CG-CD1 4.33Å; K109-I113 WeakPolarHBondContact O-CD1 3.44Å; K109-I113 VanDerWaalsContact O-CG1 3.29Å; K109-I113 WeakPolarHBondContact O-CG1 3.22Å; K109-I113 PolarHBondContact O-N 3.37Å; A110-I113 PolarHBondContact O-N 3.03Å; I113-T115 VanDerWaalsContact C-N 3.33Å; I113-S117 VanDerWaalsContact O-CB 3.26Å; I113-S117 WeakPolarHBondContact O-CB 3.48Å; I113-S117 PolarHBondContact O-N 3.48Å; I113-S117 PolarHBondContact O-OG 3.01Å
114L92.3Very high90.4Very high2 Ų245.5 Ų45.51%0.0123%0.228CC..Hα-helixtrans-63.9-37.4171.7-73.6172000112.1L38 P40 V51 L53 L78 A110 K111 E112 S117 N118L38-L114 HydrophobicContact CB-CD1 3.54Å; P40-L114 HydrophobicContact CB-CB 4.36Å; V51-L114 HydrophobicContact CB-CD2 4.28Å; V51-L114 HydrophobicContact CG2-CB 4.08Å; V51-L114 HydrophobicContact CG2-CD2 3.76Å; V51-L114 WeakPolarHBondContact CG2-O 3.37Å; L53-L114 HydrophobicContact CD2-CD2 3.94Å; L53-L114 HydrophobicContact CG-CD1 4.21Å; L53-L114 HydrophobicContact CG-CD2 4.19Å; L78-L114 HydrophobicContact CD1-CD2 3.78Å; A110-L114 VanDerWaalsContact O-CG 3.27Å; A110-L114 WeakPolarHBondContact O-CG 3.31Å; A110-L114 PolarHBondContact O-N 3.45Å; K111-L114 PolarHBondContact O-N 3.05Å; E112-L114 VanDerWaalsContact C-N 3.31Å; E112-L114 PolarHBondContact O-N 3.25Å; L114-S117 CarbonylContact O-C 3.59Å; L114-S117 PolarHBondContact O-N 2.77Å; L114-N118 WeakPolarHBondContact O-CA 3.45Å; L114-N118 WeakPolarHBondContact O-CB 3.39Å; L114-N118 PolarHBondContact O-N 3.25Å; L114-N118 VanDerWaalsContact O-N 3.08Å
115T91.1Very high90.3Very high53 Ų5343.8 Ų43.833%0.32523%0.229SC..Hα-helixtrans-71.5-44.7-179.5-52.70000111S41 K111 E112 I113 S117 N118S41-T115 PolarHBondContact N-OG1 3.06Å; K111-T115 WeakPolarHBondContact O-CB 3.48Å; K111-T115 PolarHBondContact O-N 2.95Å; K111-T115 PolarHBondContact O-OG1 3.37Å; E112-T115 WeakPolarHBondContact O-CA 3.43Å; E112-T115 WeakPolarHBondContact O-CB 3.31Å; E112-T115 PolarHBondContact O-N 2.82Å; I113-T115 VanDerWaalsContact C-N 3.33Å; T115-S117 VanDerWaalsContact C-N 3.31Å; T115-S117 PolarHBondContact O-N 3.05Å; T115-N118 WeakPolarHBondContact O-CB 3.2Å; T115-N118 PolarHBondContact O-N 2.88Å
116E88.9Confident90.2Very high145 Ų14543.2 Ų43.268%0.67823%0.228SC*.Hα-helixtrans-60.7-39171.6-67.2-177.3156.900112.4E112E112-E116 PolarHBondContact O-N 3.27Å
117S85.4Confident90Very high7 Ų744.6 Ų44.65%0.04924%0.237CC..THydrogen-bonded Turntrans-99.929.8-177.5-540000113.1V51 K82 I113 L114 T115 I119V51-S117 WeakPolarHBondContact CG1-O 3.29Å; K82-S117 PolarHBondContact NZ-OG 3.48Å; I113-S117 VanDerWaalsContact O-CB 3.26Å; I113-S117 WeakPolarHBondContact O-CB 3.48Å; I113-S117 PolarHBondContact O-N 3.48Å; I113-S117 PolarHBondContact O-OG 3.01Å; L114-S117 CarbonylContact O-C 3.59Å; L114-S117 PolarHBondContact O-N 2.77Å; T115-S117 VanDerWaalsContact C-N 3.31Å; T115-S117 PolarHBondContact O-N 3.05Å; S117-I119 PolarHBondContact O-N 3.06Å
118N87.1Confident89.7Confident26 Ų2650.5 Ų50.514%0.13927%0.268CS..  trans-77.647.6-178.7-170.132.4000113.3P40 S48 F50 V51 L114 T115P40-N118 HydrophobicContact CB-CB 4.16Å; P40-N118 HydrophobicContact CG-CB 4.39Å; P40-N118 WeakPolarHBondContact CG-OD1 3.49Å; S48-N118 PolarHBondContact O-ND2 3.37Å; F50-N118 WeakPolarHBondContact CA-OD1 3.36Å; F50-N118 WeakPolarHBondContact CB-OD1 3.35Å; F50-N118 WeakPolarHBondContact CD2-O 3.32Å; F50-N118 PolarHBondContact N-OD1 3.19Å; V51-N118 HydrophobicContact CG2-CB 4.44Å; V51-N118 PolarHBondContact N-OD1 3.34Å; L114-N118 WeakPolarHBondContact O-CA 3.45Å; L114-N118 WeakPolarHBondContact O-CB 3.39Å; L114-N118 PolarHBondContact O-N 3.25Å; L114-N118 VanDerWaalsContact O-N 3.08Å; T115-N118 WeakPolarHBondContact O-CB 3.2Å; T115-N118 PolarHBondContact O-N 2.88Å
119I81.9Confident89.4Confident60 Ų6052.7 Ų52.731%0.30827%0.274SS..SBendtrans-129127173.2-59.5-179.2000106.9S117 H121 E133S117-I119 PolarHBondContact O-N 3.06Å; I119-H121 PolarHBondContact O-N 3.44Å; I119-E133 HydrophobicContact CD1-CG 3.86Å
120P82.3Confident89Confident1 Ų151.6 Ų51.61%0.00628%0.279CS..  trans-70.7105.3-173.328.4-34.2000111.3G77 G122 F131 F137 Y145G77-P120 CarbonylContact O-C 3.37Å; G77-P120 WeakPolarHBondContact O-CA 3.48Å; P120-G122 PolarHBondContact O-N 3.01Å; P120-F131 HydrophobicContact CG-CD2 4.48Å; P120-F131 VanDerWaalsContact O-CD2 3.23Å; P120-F131 WeakPolarHBondContact O-CD2 3.44Å; P120-F137 VanDerWaalsContact CD-CE2 3.42Å; P120-F137 HydrophobicContact CG-CD2 3.71Å; P120-F137 HydrophobicContact CG-CE1 4.45Å; P120-F137 HydrophobicContact CG-CE2 3.56Å; P120-F137 HydrophobicContact CG-CG 4.24Å; P120-F137 HydrophobicContact CG-CZ 3.96Å; P120-Y145 HydrophobicContact CB-CD1 3.41Å; P120-Y145 VanDerWaalsContact CB-CD1 3.41Å; P120-Y145 HydrophobicContact CB-CD2 3.92Å; P120-Y145 HydrophobicContact CB-CE1 3.65Å; P120-Y145 HydrophobicContact CB-CE2 4.15Å; P120-Y145 HydrophobicContact CB-CG 3.55Å; P120-Y145 HydrophobicContact CG-CD1 3.74Å; P120-Y145 HydrophobicContact CG-CE1 4.28Å; P120-Y145 HydrophobicContact CG-CG 4.06Å
121H81.7Confident88.6Confident80 Ų8053 Ų5337%0.3729%0.285SS..  trans-68.4121.6173.6-69.6-66.3000110.9G77 I119G77-H121 PolarHBondContact O-N 2.93Å; I119-H121 PolarHBondContact O-N 3.44Å
122G83.2Confident88Confident39 Ų3955.2 Ų55.240%0.40229%0.294SS..SBendtrans155.3-173.5178.100000112.4P120 G130 F131P120-G122 PolarHBondContact O-N 3.01Å; G122-G130 WeakPolarHBondContact O-CA 3.43Å; G122-F131 WeakPolarHBondContact O-CD2 3.29Å; G122-F131 PolarHBondContact O-N 2.87Å
123N88.6Confident87.2Confident102 Ų10259 Ų5955%0.54531%0.312SS..BIsolated β-bridgetrans-110.2139.9176.4-64-0.3000110.8V125 L128 Y129 G130N123-V125 PolarHBondContact O-N 2.87Å; N123-L128 PolarHBondContact ND2-O 2.91Å; N123-L128 VanDerWaalsContact ND2-O 3.08Å; N123-Y129 CarbonylContact C-O 3.56Å; N123-Y129 WeakPolarHBondContact CA-O 3.19Å; N123-G130 WeakPolarHBondContact OD1-CA 3.39Å
124C90.9Very high86.5Confident0 Ų062.1 Ų62.10%035%0.349CS..  trans-68.1114.1171.1175.20000109.8I126 C127 L128 Y129 F131 H147C124-I126 PolarHBondContact O-N 3.2Å; C124-C127 PolarHBondContact O-N 3.02Å; C124-C127 VanDerWaalsContact O-N 3.14Å; C124-L128 WeakPolarHBondContact O-CA 3.47Å; C124-L128 PolarHBondContact O-N 3.1Å; C124-Y129 PolarHBondContact N-O 3.46Å; C124-F131 HydrophobicContact CB-CE1 3.82Å; C124-F131 HydrophobicContact CB-CZ 3.76Å; C124-H147 VanDerWaalsContact CB-ND1 3.34Å; C124-H147 WeakPolarHBondContact CB-ND1 3.37Å; C124-H147 PolarHBondContact SG-N 3.46Å; C124-H147 VanDerWaalsContact SG-N 3.41Å
125V91.6Very high86.1Confident72 Ų7263.3 Ų63.344%0.43636%0.355SS..THydrogen-bonded Turntrans-61.8-12-174.2-59.20000115.4N123 F146 P188 V189N123-V125 PolarHBondContact O-N 2.87Å; V125-F146 HydrophobicContact CG2-CD1 4.09Å; V125-F146 HydrophobicContact CG2-CE1 3.49Å; V125-F146 VanDerWaalsContact CG2-CE1 3.49Å; V125-F146 HydrophobicContact CG2-CZ 4.4Å; V125-P188 HydrophobicContact CG2-CB 4.34Å; V125-V189 HydrophobicContact CG1-CG2 4.18Å; V125-V189 HydrophobicContact CG2-CG2 3.78Å
126I92.5Very high85.9Confident64 Ų6463.3 Ų63.333%0.32836%0.355SS..THydrogen-bonded Turntrans-84.7-35.4179-61.6170000111.7C124 F146 C150 Y154 P188C124-I126 PolarHBondContact O-N 3.2Å; I126-F146 HydrophobicContact CD1-CD1 3.51Å; I126-F146 HydrophobicContact CD1-CE1 4.08Å; I126-F146 HydrophobicContact CD1-CG 4.35Å; I126-F146 HydrophobicContact CG1-CD1 3.89Å; I126-F146 HydrophobicContact CG1-CE1 4.25Å; I126-C150 HydrophobicContact CB-CB 4.02Å; I126-C150 HydrophobicContact CD1-CB 4.17Å; I126-C150 HydrophobicContact CG2-CB 3.89Å; I126-Y154 HydrophobicContact CD1-CG 4.47Å; I126-P188 HydrophobicContact CD1-CG 4.45Å
127C91Very high86Confident29 Ų2958.4 Ų58.420%0.19633%0.331CS..THydrogen-bonded Turntrans-117.6-8.5-178.664.40000114C124 Y129 H147C124-C127 PolarHBondContact O-N 3.02Å; C124-C127 VanDerWaalsContact O-N 3.14Å; C127-Y129 HydrophobicContact CB-CD2 4Å; C127-Y129 WeakPolarHBondContact O-CD2 3.41Å; C127-Y129 WeakPolarHBondContact O-CE2 3.47Å; C127-Y129 PolarHBondContact O-N 3.12Å; C127-H147 PolarHBondContact SG-ND1 2.85Å
128L91.1Very high86.2Confident125 Ų12560 Ų6065%0.65434%0.341SS*.  trans66.11.3179.1-50.4-179.4000116.6N123 C124N123-L128 PolarHBondContact ND2-O 2.91Å; N123-L128 VanDerWaalsContact ND2-O 3.08Å; C124-L128 WeakPolarHBondContact O-CA 3.47Å; C124-L128 PolarHBondContact O-N 3.1Å
129Y87.4Confident86.3Confident101 Ų10160.6 Ų60.640%0.39634%0.342SS..PPolyproline II helixtrans-83.1149.4172-59-74.9000112.5N123 C124 C127 L209 P210N123-Y129 CarbonylContact C-O 3.56Å; N123-Y129 WeakPolarHBondContact CA-O 3.19Å; C124-Y129 PolarHBondContact N-O 3.46Å; C127-Y129 HydrophobicContact CB-CD2 4Å; C127-Y129 WeakPolarHBondContact O-CD2 3.41Å; C127-Y129 WeakPolarHBondContact O-CE2 3.47Å; C127-Y129 PolarHBondContact O-N 3.12Å; Y129-L209 HydrophobicContact CD2-CD2 3.68Å; Y129-L209 HydrophobicContact CE2-CD2 3.34Å; Y129-P210 HydrophobicContact CD1-CG 3.96Å; Y129-P210 VanDerWaalsContact CE1-CD 3.48Å; Y129-P210 HydrophobicContact CE1-CG 3.97Å
130G86.3Confident86.8Confident31 Ų3158.3 Ų58.332%0.3233%0.331SS..BIsolated β-bridgetrans-72.3151.2172.300000112.7G122 N123G122-G130 WeakPolarHBondContact O-CA 3.43Å; N123-G130 WeakPolarHBondContact OD1-CA 3.39Å
131F86.7Confident87.1Confident30 Ų3061.7 Ų61.713%0.13236%0.355CS..PPolyproline II helixtrans-72.7134.9175-54.4-77.5000111.1P120 G122 C124 F137 H147P120-F131 HydrophobicContact CG-CD2 4.48Å; P120-F131 VanDerWaalsContact O-CD2 3.23Å; P120-F131 WeakPolarHBondContact O-CD2 3.44Å; G122-F131 WeakPolarHBondContact O-CD2 3.29Å; G122-F131 PolarHBondContact O-N 2.87Å; C124-F131 HydrophobicContact CB-CE1 3.82Å; C124-F131 HydrophobicContact CB-CZ 3.76Å; F131-F137 HydrophobicContact CD1-CB 3.79Å; F131-F137 HydrophobicContact CD1-CG 4.39Å; F131-F137 HydrophobicContact CE1-CB 3.91Å; F131-H147 AromaticContact CD1-CD2 3.52Å; F131-H147 AromaticContact CD1-NE2 3.26Å; F131-H147 VanDerWaalsContact CD1-NE2 3.26Å; F131-H147 WeakPolarHBondContact CD1-NE2 3.35Å; F131-H147 AromaticContact CE1-CD2 3.8Å; F131-H147 AromaticContact CE1-NE2 3.73Å
132K81.6Confident87.5Confident79 Ų7958.5 Ų58.534%0.34334%0.341SS..  trans-105.1160.7171.5-54.4173.6-160.1144.40112.5G134 E135 E208K132-G134 PolarHBondContact O-N 2.74Å; K132-E135 HydrophobicContact CB-CG 4.06Å; K132-E135 WeakPolarHBondContact CB-OE2 3.29Å; K132-E135 WeakPolarHBondContact CG-OE2 3.32Å; K132-E135 PolarHBondContact N-OE2 3.08Å; K132-E135 IonicContact NZ-OE1 2.81Å; K132-E135 PolarHBondContact NZ-OE1 3.48Å; K132-E135 VanDerWaalsContact NZ-OE1 3.09Å; K132-E135 PolarHBondContact O-N 3.03Å; K132-E208 PolarHBondContact NZ-O 2.88Å; K132-E208 IonicContact NZ-OE2 3.96Å
133E76.3Confident87.8Confident172 Ų17258.4 Ų58.480%0.80433%0.329SS*.THydrogen-bonded Turntrans-59.2131.9163.8-70.3169.7-157.300110.2I119I119-E133 HydrophobicContact CD1-CG 3.86Å
134G78.1Confident87.9Confident86 Ų8655.2 Ų55.289%0.88731%0.311SS*.THydrogen-bonded Turntrans87.7-16.1-175.900000115.8K132K132-G134 PolarHBondContact O-N 2.74Å
135E84.5Confident87.9Confident27 Ų2756.7 Ų56.713%0.12632%0.316CS..  trans-79138.2175.5-74179.215300112K132 F137 H147 E208K132-E135 HydrophobicContact CB-CG 4.06Å; K132-E135 WeakPolarHBondContact CB-OE2 3.29Å; K132-E135 WeakPolarHBondContact CG-OE2 3.32Å; K132-E135 PolarHBondContact N-OE2 3.08Å; K132-E135 IonicContact NZ-OE1 2.81Å; K132-E135 PolarHBondContact NZ-OE1 3.48Å; K132-E135 VanDerWaalsContact NZ-OE1 3.09Å; K132-E135 PolarHBondContact O-N 3.03Å; E135-F137 WeakPolarHBondContact O-CD1 3.24Å; E135-F137 PolarHBondContact O-N 3.29Å; E135-H147 IonicContact OE2-NE2 3.09Å; E135-E208 PolarHBondContact OE1-N 2.8Å
136T87.4Confident88Confident54 Ų5453.3 Ų53.333%0.33130%0.296SS..  trans-79.311317952.50000111.8S148 S204 P205T136-S148 PolarHBondContact O-N 3.29Å; T136-S148 PolarHBondContact O-OG 3Å; T136-S204 WeakPolarHBondContact OG1-CB 3.36Å; T136-P205 HydrophobicContact CG2-CG 4.38Å
137F89.8Confident88Confident42 Ų4250.3 Ų50.318%0.18428%0.281CS..EExtended strand (participates in β ladder)trans-116.1164172.963.3-93.4000112.2F50 P120 F131 E135 F146 S148F50-F137 HydrophobicContact CB-CE2 4.34Å; F50-F137 AromaticContact CD1-CE2 3.68Å; F50-F137 HydrophobicContact CD1-CE2 3.68Å; F50-F137 HydrophobicContact CD1-CZ 4.5Å; F50-F137 AromaticContact CD2-CE2 3.8Å; F50-F137 HydrophobicContact CD2-CE2 3.8Å; F50-F137 AromaticContact CD2-CZ 3.8Å; F50-F137 HydrophobicContact CD2-CZ 3.8Å; F50-F137 AromaticContact CE1-CE2 3.83Å; F50-F137 HydrophobicContact CE1-CE2 3.83Å; F50-F137 AromaticContact CE2-CE2 3.94Å; F50-F137 HydrophobicContact CE2-CE2 3.94Å; F50-F137 AromaticContact CE2-CZ 3.88Å; F50-F137 HydrophobicContact CE2-CZ 3.88Å; F50-F137 AromaticContact CG-CE2 3.66Å; F50-F137 HydrophobicContact CG-CE2 3.66Å; F50-F137 HydrophobicContact CG-CZ 4.12Å; F50-F137 AromaticContact CZ-CE2 3.95Å; F50-F137 HydrophobicContact CZ-CE2 3.95Å; F50-F137 HydrophobicContact CZ-CZ 4.26Å; P120-F137 VanDerWaalsContact CD-CE2 3.42Å; P120-F137 HydrophobicContact CG-CD2 3.71Å; P120-F137 HydrophobicContact CG-CE1 4.45Å; P120-F137 HydrophobicContact CG-CE2 3.56Å; P120-F137 HydrophobicContact CG-CG 4.24Å; P120-F137 HydrophobicContact CG-CZ 3.96Å; F131-F137 HydrophobicContact CD1-CB 3.79Å; F131-F137 HydrophobicContact CD1-CG 4.39Å; F131-F137 HydrophobicContact CE1-CB 3.91Å; E135-F137 WeakPolarHBondContact O-CD1 3.24Å; E135-F137 PolarHBondContact O-N 3.29Å; F137-F146 CarbonylContact C-O 3.48Å; F137-F146 VanDerWaalsContact CA-O 3.24Å; F137-F146 WeakPolarHBondContact CA-O 3.49Å; F137-F146 WeakPolarHBondContact CB-O 3.49Å; F137-S148 PolarHBondContact O-OG 3.05Å
138T89.5Confident88.1Confident40 Ų4049.2 Ų49.225%0.24527%0.273CS..EExtended strand (participates in β ladder)trans-130133.1178.1-62.90000109.6Y145 F146 S148 L151 L201T138-Y145 WeakPolarHBondContact O-CA 3.41Å; T138-F146 PolarHBondContact N-O 2.97Å; T138-F146 PolarHBondContact O-N 3.09Å; T138-F146 VanDerWaalsContact O-N 3.1Å; T138-S148 PolarHBondContact OG1-OG 3.43Å; T138-L151 HydrophobicContact CG2-CD2 4.15Å; T138-L201 HydrophobicContact CG2-CD2 4.27Å; T138-L201 WeakPolarHBondContact OG1-CD2 3.38Å
139K90.8Very high88.3Confident39 Ų3945.3 Ų45.317%0.1725%0.251CS..EExtended strand (participates in β ladder)trans-88.9126.7166.4174.6-171.764.1169.50109.1S46 Q49 F50 Y143 Y145S46-K139 PolarHBondContact O-NZ 3.43Å; Q49-K139 WeakPolarHBondContact O-CD 3.32Å; Q49-K139 WeakPolarHBondContact O-CE 3.29Å; Q49-K139 PolarHBondContact O-NZ 3.38Å; F50-K139 HydrophobicContact CD1-CB 4.1Å; K139-Y143 HydrophobicContact CD-CD1 4.16Å; K139-Y143 HydrophobicContact CD-CE1 4Å; K139-Y145 HydrophobicContact CB-CD1 4.14Å; K139-Y145 HydrophobicContact CB-CE1 4.16Å; K139-Y145 HydrophobicContact CD-CE1 4.48Å; K139-Y145 HydrophobicContact CG-CD1 4.42Å; K139-Y145 HydrophobicContact CG-CE1 4.03Å
140T91.4Very high88.6Confident11 Ų1141 Ų417%0.06724%0.236CC..  trans-83.1161.4170.459.20000111.8C142 Y143 H144 F146 L151 L194T140-C142 PolarHBondContact O-N 2.9Å; T140-C142 VanDerWaalsContact O-N 3.15Å; T140-C142 PolarHBondContact OG1-SG 3.45Å; T140-Y143 PolarHBondContact O-N 2.63Å; T140-H144 PolarHBondContact N-O 2.92Å; T140-H144 PolarHBondContact OG1-N 3.08Å; T140-H144 PolarHBondContact OG1-O 3.4Å; T140-H144 VanDerWaalsContact OG1-O 3.12Å; T140-F146 HydrophobicContact CG2-CD2 3.89Å; T140-F146 HydrophobicContact CG2-CE2 3.62Å; T140-L151 HydrophobicContact CG2-CD2 4.21Å; T140-L194 HydrophobicContact CG2-CD2 3.68Å
141S89.4Confident89Confident73 Ų7339.8 Ų39.851%0.5122%0.222SC..THydrogen-bonded Turntrans-46.2-41.817247.70000113.2Y143S141-Y143 PolarHBondContact O-N 2.88Å
142C89.6Confident89.4Confident13 Ų1338.3 Ų38.39%0.08822%0.216CC..THydrogen-bonded Turntrans-78.616.5178.459.50000115.2T140 H144 C190 E192T140-C142 PolarHBondContact O-N 2.9Å; T140-C142 VanDerWaalsContact O-N 3.15Å; T140-C142 PolarHBondContact OG1-SG 3.45Å; C142-H144 PolarHBondContact O-CE1 2.83Å; C142-H144 VanDerWaalsContact O-CE1 3.29Å; C142-H144 PolarHBondContact O-N 3.27Å; C142-H144 PolarHBondContact O-ND1 3.35Å; C142-H144 PolarHBondContact SG-ND1 3.33Å; C142-C190 PolarHBondContact SG-SG 3.29Å; C142-E192 HydrophobicContact CB-CB 4.28Å; C142-E192 VanDerWaalsContact CB-CD 3.44Å; C142-E192 HydrophobicContact CB-CG 4.47Å; C142-E192 WeakPolarHBondContact CB-OE1 3.38Å; C142-E192 WeakPolarHBondContact CB-OE2 3.46Å
143Y88.4Confident90.1Very high37 Ų3742.7 Ų42.715%0.14523%0.23CC..SBendtrans54.444.3179.8-79.1-97.1000114.1R52 R76 K139 T140 S141R52-Y143 HydrophobicContact CG-CD1 4.12Å; R52-Y143 HydrophobicContact CG-CE1 3.73Å; R52-Y143 VanDerWaalsContact NE-CE1 3.32Å; R52-Y143 VanDerWaalsContact NE-CZ 3.34Å; R76-Y143 HydrophobicContact CB-CD1 4.15Å; R76-Y143 HydrophobicContact CG-CD1 4.46Å; K139-Y143 HydrophobicContact CD-CD1 4.16Å; K139-Y143 HydrophobicContact CD-CE1 4Å; T140-Y143 PolarHBondContact O-N 2.63Å; S141-Y143 PolarHBondContact O-N 2.88Å
144H90.9Very high91Very high34 Ų3437.3 Ų37.316%0.15720%0.203CC..  trans-114.3148.3168.2-63.796.5000110.3T140 C142 F146 V189T140-H144 PolarHBondContact N-O 2.92Å; T140-H144 PolarHBondContact OG1-N 3.08Å; T140-H144 PolarHBondContact OG1-O 3.4Å; T140-H144 VanDerWaalsContact OG1-O 3.12Å; C142-H144 PolarHBondContact O-CE1 2.83Å; C142-H144 VanDerWaalsContact O-CE1 3.29Å; C142-H144 PolarHBondContact O-N 3.27Å; C142-H144 PolarHBondContact O-ND1 3.35Å; C142-H144 PolarHBondContact SG-ND1 3.33Å; H144-F146 HydrophobicContact CB-CE2 3.71Å; H144-F146 HydrophobicContact CB-CZ 4Å; H144-V189 HydrophobicContact CB-CG2 4.4Å; H144-V189 WeakPolarHBondContact NE2-CG1 3.47Å
145Y91.7Very high91.9Very high32 Ų3233.2 Ų33.213%0.12516%0.161CC..EExtended strand (participates in β ladder)trans-117.8137.8-169.2-47.6-85.8000110.9F50 G77 P120 T138 K139F50-Y145 VanDerWaalsContact O-CE1 3.24Å; F50-Y145 WeakPolarHBondContact O-CE1 3.46Å; F50-Y145 VanDerWaalsContact O-CZ 3.3Å; F50-Y145 PolarHBondContact O-OH 3.38Å; G77-Y145 PolarHBondContact N-OH 3.46Å; P120-Y145 HydrophobicContact CB-CD1 3.41Å; P120-Y145 VanDerWaalsContact CB-CD1 3.41Å; P120-Y145 HydrophobicContact CB-CD2 3.92Å; P120-Y145 HydrophobicContact CB-CE1 3.65Å; P120-Y145 HydrophobicContact CB-CE2 4.15Å; P120-Y145 HydrophobicContact CB-CG 3.55Å; P120-Y145 HydrophobicContact CG-CD1 3.74Å; P120-Y145 HydrophobicContact CG-CE1 4.28Å; P120-Y145 HydrophobicContact CG-CG 4.06Å; T138-Y145 WeakPolarHBondContact O-CA 3.41Å; K139-Y145 HydrophobicContact CB-CD1 4.14Å; K139-Y145 HydrophobicContact CB-CE1 4.16Å; K139-Y145 HydrophobicContact CD-CE1 4.48Å; K139-Y145 HydrophobicContact CG-CD1 4.42Å; K139-Y145 HydrophobicContact CG-CE1 4.03Å
146F93.2Very high92.4Very high0 Ų034 Ų340%017%0.168CC..EExtended strand (participates in β ladder)trans-145.2148.1-178.2-52.6-93.9000110.1V125 I126 F137 T138 T140 H144 S148 L151 P188 V189V125-F146 HydrophobicContact CG2-CD1 4.09Å; V125-F146 HydrophobicContact CG2-CE1 3.49Å; V125-F146 VanDerWaalsContact CG2-CE1 3.49Å; V125-F146 HydrophobicContact CG2-CZ 4.4Å; I126-F146 HydrophobicContact CD1-CD1 3.51Å; I126-F146 HydrophobicContact CD1-CE1 4.08Å; I126-F146 HydrophobicContact CD1-CG 4.35Å; I126-F146 HydrophobicContact CG1-CD1 3.89Å; I126-F146 HydrophobicContact CG1-CE1 4.25Å; F137-F146 CarbonylContact C-O 3.48Å; F137-F146 VanDerWaalsContact CA-O 3.24Å; F137-F146 WeakPolarHBondContact CA-O 3.49Å; F137-F146 WeakPolarHBondContact CB-O 3.49Å; T138-F146 PolarHBondContact N-O 2.97Å; T138-F146 PolarHBondContact O-N 3.09Å; T138-F146 VanDerWaalsContact O-N 3.1Å; T140-F146 HydrophobicContact CG2-CD2 3.89Å; T140-F146 HydrophobicContact CG2-CE2 3.62Å; H144-F146 HydrophobicContact CB-CE2 3.71Å; H144-F146 HydrophobicContact CB-CZ 4Å; F146-S148 PolarHBondContact O-N 2.86Å; F146-L151 HydrophobicContact CB-CB 3.93Å; F146-L151 HydrophobicContact CD1-CD1 4.46Å; F146-L151 HydrophobicContact CD2-CD1 4.18Å; F146-L151 HydrophobicContact CD2-CD2 4.27Å; F146-L151 HydrophobicContact CG-CB 4.44Å; F146-L151 HydrophobicContact CG-CD1 4.16Å; F146-P188 HydrophobicContact CE1-CB 4.06Å; F146-P188 HydrophobicContact CE1-CG 3.78Å; F146-P188 HydrophobicContact CZ-CB 4.44Å; F146-P188 HydrophobicContact CZ-CG 4.12Å; F146-V189 HydrophobicContact CZ-CG2 4.21Å
147H92.9Very high92.8Very high2 Ų236.5 Ų36.51%0.00918%0.175CC..EExtended strand (participates in β ladder)trans-60.8132.2164-60.6118.5000108C124 C127 F131 E135 H149 C150 L151 P207C124-H147 VanDerWaalsContact CB-ND1 3.34Å; C124-H147 WeakPolarHBondContact CB-ND1 3.37Å; C124-H147 PolarHBondContact SG-N 3.46Å; C124-H147 VanDerWaalsContact SG-N 3.41Å; C127-H147 PolarHBondContact SG-ND1 2.85Å; F131-H147 AromaticContact CD1-CD2 3.52Å; F131-H147 AromaticContact CD1-NE2 3.26Å; F131-H147 VanDerWaalsContact CD1-NE2 3.26Å; F131-H147 WeakPolarHBondContact CD1-NE2 3.35Å; F131-H147 AromaticContact CE1-CD2 3.8Å; F131-H147 AromaticContact CE1-NE2 3.73Å; E135-H147 IonicContact OE2-NE2 3.09Å; H147-H149 PolarHBondContact O-N 3.34Å; H147-C150 HydrophobicContact CB-CB 4.03Å; H147-C150 WeakPolarHBondContact O-CA 3.39Å; H147-C150 WeakPolarHBondContact O-CB 3.12Å; H147-C150 PolarHBondContact O-N 2.62Å; H147-L151 PolarHBondContact O-N 3.15Å; H147-P207 HydrophobicContact CB-CB 4.36Å; H147-P207 HydrophobicContact CB-CG 4.18Å
148S93.6Very high93Very high6 Ų635.1 Ų35.14%0.04217%0.17CC..Hα-helixtrans-57.1-42.1-171.4-56.70000111.3T136 F137 T138 F146 C150 L151 G152 L201 S204T136-S148 PolarHBondContact O-N 3.29Å; T136-S148 PolarHBondContact O-OG 3Å; F137-S148 PolarHBondContact O-OG 3.05Å; T138-S148 PolarHBondContact OG1-OG 3.43Å; F146-S148 PolarHBondContact O-N 2.86Å; S148-C150 PolarHBondContact O-N 3.22Å; S148-L151 PolarHBondContact O-N 3.07Å; S148-G152 PolarHBondContact O-N 3.38Å; S148-L201 CarbonylContact C-O 3.53Å; S148-S204 WeakPolarHBondContact CB-OG 3.46Å
149H94.4Very high93.2Very high42 Ų4234.1 Ų34.119%0.19416%0.163CC..Hα-helixtrans-62-40.6173.4-173.496.3000113.7H147 G152 R153 L201 S204 P205H147-H149 PolarHBondContact O-N 3.34Å; H149-G152 PolarHBondContact O-N 2.77Å; H149-R153 WeakPolarHBondContact NE2-CD 3.37Å; H149-R153 WeakPolarHBondContact O-CG 3.48Å; H149-R153 PolarHBondContact O-N 2.97Å; H149-L201 WeakPolarHBondContact CA-O 3.43Å; H149-L201 PolarHBondContact N-O 3.35Å; H149-S204 PolarHBondContact ND1-O 3.09Å; H149-S204 VanDerWaalsContact ND1-O 3.08Å; H149-P205 VanDerWaalsContact CB-O 3.22Å; H149-P205 WeakPolarHBondContact CB-O 3.21Å
150C94.4Very high93.4Very high12 Ų1240.7 Ų40.78%0.08119%0.187CC..Hα-helixtrans-65.9-42177.3-69.60000111.5I126 H147 S148 R153 Y154I126-C150 HydrophobicContact CB-CB 4.02Å; I126-C150 HydrophobicContact CD1-CB 4.17Å; I126-C150 HydrophobicContact CG2-CB 3.89Å; H147-C150 HydrophobicContact CB-CB 4.03Å; H147-C150 WeakPolarHBondContact O-CA 3.39Å; H147-C150 WeakPolarHBondContact O-CB 3.12Å; H147-C150 PolarHBondContact O-N 2.62Å; S148-C150 PolarHBondContact O-N 3.22Å; C150-R153 PolarHBondContact O-N 2.92Å; C150-Y154 PolarHBondContact O-N 3.18Å
151L95.6Very high93.6Very high4 Ų443.6 Ų43.62%0.02120%0.2CC..Hα-helixtrans-65.9-41174.8-171.361.7000111.3T138 T140 F146 H147 S148 R153 Y154 V155 L194 L201T138-L151 HydrophobicContact CG2-CD2 4.15Å; T140-L151 HydrophobicContact CG2-CD2 4.21Å; F146-L151 HydrophobicContact CB-CB 3.93Å; F146-L151 HydrophobicContact CD1-CD1 4.46Å; F146-L151 HydrophobicContact CD2-CD1 4.18Å; F146-L151 HydrophobicContact CD2-CD2 4.27Å; F146-L151 HydrophobicContact CG-CB 4.44Å; F146-L151 HydrophobicContact CG-CD1 4.16Å; H147-L151 PolarHBondContact O-N 3.15Å; S148-L151 PolarHBondContact O-N 3.07Å; L151-R153 PolarHBondContact O-N 2.87Å; L151-Y154 HydrophobicContact CD1-CD1 4.32Å; L151-Y154 WeakPolarHBondContact O-CB 3.36Å; L151-Y154 PolarHBondContact O-N 2.93Å; L151-V155 WeakPolarHBondContact O-CB 3.45Å; L151-V155 WeakPolarHBondContact O-CG2 3.27Å; L151-V155 PolarHBondContact O-N 2.97Å; L151-L194 HydrophobicContact CD1-CD1 4.01Å; L151-L201 HydrophobicContact CB-CD1 4.34Å; L151-L201 HydrophobicContact CB-CD2 4.36Å; L151-L201 HydrophobicContact CD2-CD1 4.07Å; L151-L201 HydrophobicContact CD2-CD2 4.18Å; L151-L201 HydrophobicContact CG-CD1 3.99Å
152G95.2Very high93.7Very high0 Ų041.1 Ų41.10%018%0.181CC..Hα-helixtrans-59.2-42.3173.900000113S148 H149 V155 V156S148-G152 PolarHBondContact O-N 3.38Å; H149-G152 PolarHBondContact O-N 2.77Å; G152-V155 PolarHBondContact O-N 3.33Å; G152-V156 VanDerWaalsContact O-CG2 3.32Å; G152-V156 WeakPolarHBondContact O-CG2 3.39Å; G152-V156 PolarHBondContact O-N 3.47Å
153R95.3Very high93.9Very high170 Ų17047 Ų4764%0.64220%0.201SC*.Hα-helixtrans-65.8-39.8173.9-76.3-174.362.2-173.3-1.9112.9H149 C150 L151 V156 H157H149-R153 WeakPolarHBondContact NE2-CD 3.37Å; H149-R153 WeakPolarHBondContact O-CG 3.48Å; H149-R153 PolarHBondContact O-N 2.97Å; C150-R153 PolarHBondContact O-N 2.92Å; L151-R153 PolarHBondContact O-N 2.87Å; R153-V156 PolarHBondContact O-N 3.08Å; R153-H157 PolarHBondContact O-N 3.2Å
154Y96Very high94Very high59 Ų5949.9 Ų49.923%0.23122%0.216CC..Hα-helixtrans-61.5-51173.9172.8-97.9000111I126 C150 L151 V156 H157 S158 V185 V186 P188I126-Y154 HydrophobicContact CD1-CG 4.47Å; C150-Y154 PolarHBondContact O-N 3.18Å; L151-Y154 HydrophobicContact CD1-CD1 4.32Å; L151-Y154 WeakPolarHBondContact O-CB 3.36Å; L151-Y154 PolarHBondContact O-N 2.93Å; Y154-V156 VanDerWaalsContact C-N 3.33Å; Y154-V156 PolarHBondContact O-N 2.97Å; Y154-H157 PolarHBondContact O-N 2.9Å; Y154-S158 WeakPolarHBondContact CE1-OG 3.33Å; Y154-S158 VanDerWaalsContact CZ-OG 3.29Å; Y154-S158 PolarHBondContact O-N 3.03Å; Y154-S158 PolarHBondContact O-OG 2.91Å; Y154-V185 HydrophobicContact CD1-CG1 4.34Å; Y154-V185 HydrophobicContact CE1-CG1 3.79Å; Y154-V186 VanDerWaalsContact CE1-O 3.27Å; Y154-V186 WeakPolarHBondContact CE1-O 3.43Å; Y154-V186 PolarHBondContact OH-O 3.5Å; Y154-V186 VanDerWaalsContact OH-O 3.06Å; Y154-P188 HydrophobicContact CD1-CG 3.93Å; Y154-P188 HydrophobicContact CD2-CG 4.11Å; Y154-P188 HydrophobicContact CE1-CG 3.75Å; Y154-P188 HydrophobicContact CE2-CG 3.94Å; Y154-P188 HydrophobicContact CG-CG 4.12Å
155V95.8Very high93.9Very high0 Ų053.6 Ų53.60%023%0.228CC..Hα-helixtrans-51.8-47.5174.7159.70000112L151 G152 H157 S158 E159 V185 Y196 R198 L201L151-V155 WeakPolarHBondContact O-CB 3.45Å; L151-V155 WeakPolarHBondContact O-CG2 3.27Å; L151-V155 PolarHBondContact O-N 2.97Å; G152-V155 PolarHBondContact O-N 3.33Å; V155-H157 VanDerWaalsContact C-N 3.29Å; V155-H157 PolarHBondContact O-N 3.35Å; V155-S158 PolarHBondContact O-N 3.28Å; V155-E159 HydrophobicContact CG1-CG 4.41Å; V155-E159 WeakPolarHBondContact O-CB 3.36Å; V155-E159 WeakPolarHBondContact O-CG 3.46Å; V155-E159 PolarHBondContact O-N 3.46Å; V155-V185 HydrophobicContact CG2-CG1 4.31Å; V155-Y196 HydrophobicContact CB-CD2 4.48Å; V155-Y196 HydrophobicContact CB-CE2 4.32Å; V155-Y196 HydrophobicContact CG1-CD2 3.68Å; V155-Y196 HydrophobicContact CG1-CE2 3.22Å; V155-Y196 HydrophobicContact CG2-CD1 4.21Å; V155-Y196 HydrophobicContact CG2-CD2 3.97Å; V155-Y196 HydrophobicContact CG2-CE1 4.33Å; V155-Y196 HydrophobicContact CG2-CE2 4.1Å; V155-Y196 HydrophobicContact CG2-CG 4.04Å; V155-R198 HydrophobicContact CG1-CB 4.04Å; V155-R198 HydrophobicContact CG1-CG 4.04Å; V155-L201 HydrophobicContact CG2-CD1 4.42Å
156V95.4Very high93.8Very high45 Ų4556.5 Ų56.527%0.27324%0.243SC..Hα-helixtrans-61-36.1178.3166.50000112.8G152 R153 Y154 R198 L202G152-V156 VanDerWaalsContact O-CG2 3.32Å; G152-V156 WeakPolarHBondContact O-CG2 3.39Å; G152-V156 PolarHBondContact O-N 3.47Å; R153-V156 PolarHBondContact O-N 3.08Å; Y154-V156 VanDerWaalsContact C-N 3.33Å; Y154-V156 PolarHBondContact O-N 2.97Å; V156-R198 HydrophobicContact CG2-CG 4.33Å; V156-L202 HydrophobicContact CG2-CD1 3.66Å; V156-L202 HydrophobicContact CG2-CD2 4.15Å; V156-L202 HydrophobicContact CG2-CG 4.4Å
157H95.1Very high93.6Very high105 Ų10561.5 Ų61.549%0.48627%0.265SS..Hα-helixtrans-74-47.2175.7174.641.3000111.1R153 Y154 V155 E159 R160 E161R153-H157 PolarHBondContact O-N 3.2Å; Y154-H157 PolarHBondContact O-N 2.9Å; V155-H157 VanDerWaalsContact C-N 3.29Å; V155-H157 PolarHBondContact O-N 3.35Å; H157-E159 PolarHBondContact O-N 2.84Å; H157-R160 WeakPolarHBondContact O-CB 3.14Å; H157-R160 PolarHBondContact O-N 3.4Å; H157-E161 IonicContact CE1-OE1 2.87Å; H157-E161 PolarHBondContact O-N 3.22Å
158S94.6Very high93.4Very high13 Ų1366.2 Ų66.29%0.09129%0.287CS..Hα-helixtrans-60.5-44.7178.2-60.40000112.4Y154 V155 R160 E161 L162Y154-S158 WeakPolarHBondContact CE1-OG 3.33Å; Y154-S158 VanDerWaalsContact CZ-OG 3.29Å; Y154-S158 PolarHBondContact O-N 3.03Å; Y154-S158 PolarHBondContact O-OG 2.91Å; V155-S158 PolarHBondContact O-N 3.28Å; S158-R160 PolarHBondContact O-N 3.31Å; S158-R160 VanDerWaalsContact O-N 3.15Å; S158-E161 PolarHBondContact O-N 3.03Å; S158-E161 VanDerWaalsContact O-N 3.16Å; S158-L162 WeakPolarHBondContact O-CB 3.27Å; S158-L162 VanDerWaalsContact O-CG 3.24Å; S158-L162 WeakPolarHBondContact O-CG 3.44Å; S158-L162 PolarHBondContact O-N 2.87Å
159E94.4Very high93Very high20 Ų2069 Ų699%0.09330%0.301CS..Hα-helixtrans-57.4-28.3174-81.7-174.4-156.200113.4V155 H157 R163 V185 Y196 R198V155-E159 HydrophobicContact CG1-CG 4.41Å; V155-E159 WeakPolarHBondContact O-CB 3.36Å; V155-E159 WeakPolarHBondContact O-CG 3.46Å; V155-E159 PolarHBondContact O-N 3.46Å; H157-E159 PolarHBondContact O-N 2.84Å; E159-R163 WeakPolarHBondContact O-CD 3.25Å; E159-R163 VanDerWaalsContact O-CG 3.23Å; E159-R163 WeakPolarHBondContact O-CG 3.46Å; E159-R163 PolarHBondContact O-N 2.94Å; E159-R163 PolarHBondContact O-NH1 2.72Å; E159-R163 IonicContact OE2-CZ 3.68Å; E159-R163 IonicContact OE2-NH1 3.77Å; E159-R163 PolarHBondContact OE2-NH1 3.33Å; E159-R163 IonicContact OE2-NH2 2.67Å; E159-R163 PolarHBondContact OE2-NH2 2.95Å; E159-V185 HydrophobicContact CG-CG2 4.33Å; E159-Y196 PolarHBondContact OE1-OH 2.72Å; E159-R198 WeakPolarHBondContact OE1-CD 3.27Å; E159-R198 IonicContact OE2-CZ 3.99Å; E159-R198 IonicContact OE2-NH1 3.79Å; E159-R198 PolarHBondContact OE2-NH1 2.82Å
160R94.6Very high92.5Very high177 Ų17774.8 Ų74.867%0.66833%0.328SS*.Hα-helixtrans-77.7-46.6175.5-171.7-171.7-59-144.9-0.7111.2H157 S158 L162 R163 Q164H157-R160 WeakPolarHBondContact O-CB 3.14Å; H157-R160 PolarHBondContact O-N 3.4Å; S158-R160 PolarHBondContact O-N 3.31Å; S158-R160 VanDerWaalsContact O-N 3.15Å; R160-L162 VanDerWaalsContact C-N 3.3Å; R160-L162 PolarHBondContact O-N 3.3Å; R160-R163 PolarHBondContact O-N 2.56Å; R160-Q164 PolarHBondContact O-N 3.5Å
161E94.4Very high92.1Very high72 Ų7280 Ų8034%0.33635%0.351SS..Hα-helixtrans-57.8-42.1175.7-75-68.3119.100112.1H157 S158 R165H157-E161 IonicContact CE1-OE1 2.87Å; H157-E161 PolarHBondContact O-N 3.22Å; S158-E161 PolarHBondContact O-N 3.03Å; S158-E161 VanDerWaalsContact O-N 3.16Å; E161-R165 WeakPolarHBondContact O-CD 3.41Å; E161-R165 VanDerWaalsContact O-CG 3.27Å; E161-R165 WeakPolarHBondContact O-CG 3.49Å; E161-R165 PolarHBondContact O-N 3.21Å; E161-R165 VanDerWaalsContact O-N 3.12Å; E161-R165 IonicContact OE2-CZ 3.48Å; E161-R165 IonicContact OE2-NE 2.74Å; E161-R165 IonicContact OE2-NH2 3.65Å; E161-R165 PolarHBondContact OE2-NH2 2.85Å
162L92.9Very high91.6Very high21 Ų2183 Ų8311%0.1137%0.368CS..Hα-helixtrans-68.9-47.9179.8-63.1176.3000111S158 R160 Q164 R165 E166 L183 T184 V185S158-L162 WeakPolarHBondContact O-CB 3.27Å; S158-L162 VanDerWaalsContact O-CG 3.24Å; S158-L162 WeakPolarHBondContact O-CG 3.44Å; S158-L162 PolarHBondContact O-N 2.87Å; R160-L162 VanDerWaalsContact C-N 3.3Å; R160-L162 PolarHBondContact O-N 3.3Å; L162-Q164 VanDerWaalsContact C-N 3.28Å; L162-Q164 PolarHBondContact O-N 2.96Å; L162-R165 CarbonylContact O-C 3.59Å; L162-R165 PolarHBondContact O-N 3.16Å; L162-E166 VanDerWaalsContact O-CG 3.31Å; L162-E166 WeakPolarHBondContact O-CG 3.43Å; L162-E166 PolarHBondContact O-N 3.1Å; L162-L183 HydrophobicContact CB-CB 4.48Å; L162-L183 HydrophobicContact CD2-CB 4.14Å; L162-L183 HydrophobicContact CD2-CD2 4.19Å; L162-T184 VanDerWaalsContact CD1-C 3.42Å; L162-T184 WeakPolarHBondContact CD1-O 3.17Å; L162-V185 HydrophobicContact CD1-CB 4.49Å; L162-V185 HydrophobicContact CD1-CG2 3.74Å
163R92.8Very high90.7Very high136 Ų13692.6 Ų92.651%0.51341%0.409SS..Hα-helixtrans-59-35.7175.9-71.9173.2-166.2122.79.7113.8E159 R160 E166 K167E159-R163 WeakPolarHBondContact O-CD 3.25Å; E159-R163 VanDerWaalsContact O-CG 3.23Å; E159-R163 WeakPolarHBondContact O-CG 3.46Å; E159-R163 PolarHBondContact O-N 2.94Å; E159-R163 PolarHBondContact O-NH1 2.72Å; E159-R163 IonicContact OE2-CZ 3.68Å; E159-R163 IonicContact OE2-NH1 3.77Å; E159-R163 PolarHBondContact OE2-NH1 3.33Å; E159-R163 IonicContact OE2-NH2 2.67Å; E159-R163 PolarHBondContact OE2-NH2 2.95Å; R160-R163 PolarHBondContact O-N 2.56Å; R163-E166 WeakPolarHBondContact CA-OE2 3.23Å; R163-K167 PolarHBondContact O-N 3.14Å
164Q91.1Very high90Very high98 Ų9890.8 Ų90.846%0.45842%0.417SS..Hα-helixtrans-65.7-44.5174.4178.557.530.500111.1R160 L162 K167 E168R160-Q164 PolarHBondContact O-N 3.5Å; L162-Q164 VanDerWaalsContact C-N 3.28Å; L162-Q164 PolarHBondContact O-N 2.96Å; Q164-K167 PolarHBondContact O-N 3.48Å; Q164-E168 WeakPolarHBondContact CG-OE1 3.5Å; Q164-E168 PolarHBondContact NE2-OE1 3.43Å; Q164-E168 WeakPolarHBondContact O-CG 3.44Å; Q164-E168 PolarHBondContact O-N 2.94Å
165R88.8Confident88.8Confident112 Ų11292 Ų9242%0.42342%0.421SS..Hα-helixtrans-69.4-37.5177.3-67.5167.7-161.51775.8112.7E161 L162 K167 E168 L169 L183E161-R165 WeakPolarHBondContact O-CD 3.41Å; E161-R165 VanDerWaalsContact O-CG 3.27Å; E161-R165 WeakPolarHBondContact O-CG 3.49Å; E161-R165 PolarHBondContact O-N 3.21Å; E161-R165 VanDerWaalsContact O-N 3.12Å; E161-R165 IonicContact OE2-CZ 3.48Å; E161-R165 IonicContact OE2-NE 2.74Å; E161-R165 IonicContact OE2-NH2 3.65Å; E161-R165 PolarHBondContact OE2-NH2 2.85Å; L162-R165 CarbonylContact O-C 3.59Å; L162-R165 PolarHBondContact O-N 3.16Å; R165-K167 VanDerWaalsContact C-N 3.28Å; R165-K167 PolarHBondContact O-N 3.36Å; R165-E168 PolarHBondContact O-N 2.79Å; R165-L169 WeakPolarHBondContact O-CB 3.33Å; R165-L169 WeakPolarHBondContact O-CD1 3.33Å; R165-L169 WeakPolarHBondContact O-CG 3.46Å; R165-L169 PolarHBondContact O-N 2.95Å; R165-L183 HydrophobicContact CB-CD1 4.13Å
166E88.7Confident87.5Confident93 Ų9397.4 Ų97.444%0.43545%0.45SS..Hα-helixtrans-55.4-46.5172.7-74.3171158.600110.4L162 R163 L169 E170 L183L162-E166 VanDerWaalsContact O-CG 3.31Å; L162-E166 WeakPolarHBondContact O-CG 3.43Å; L162-E166 PolarHBondContact O-N 3.1Å; R163-E166 WeakPolarHBondContact CA-OE2 3.23Å; E166-L169 CarbonylContact O-C 3.59Å; E166-L169 PolarHBondContact O-N 2.98Å; E166-E170 PolarHBondContact O-N 3.35Å; E166-L183 HydrophobicContact CG-CB 4.33Å; E166-L183 HydrophobicContact CG-CD1 3.7Å
167K89.8Confident86.1Confident105 Ų10598.4 Ų98.446%0.45747%0.469SS..Hα-helixtrans-64.8-48.9176.1-177.2-175.7167.5-173.10112.6R163 Q164 R165 L169 E170 E171R163-K167 PolarHBondContact O-N 3.14Å; Q164-K167 PolarHBondContact O-N 3.48Å; R165-K167 VanDerWaalsContact C-N 3.28Å; R165-K167 PolarHBondContact O-N 3.36Å; K167-L169 PolarHBondContact O-N 3.33Å; K167-E170 PolarHBondContact O-N 3.2Å; K167-E171 WeakPolarHBondContact CE-OE1 3.35Å; K167-E171 IonicContact NZ-OE1 3.51Å; K167-E171 PolarHBondContact NZ-OE1 3.23Å; K167-E171 PolarHBondContact O-N 3.02Å
168E88.4Confident84.6Confident100 Ų10097.9 Ų97.947%0.46748%0.478SS..Hα-helixtrans-56.9-36.3176.2-72.1165-173.400111.8Q164 R165 D172Q164-E168 WeakPolarHBondContact CG-OE1 3.5Å; Q164-E168 PolarHBondContact NE2-OE1 3.43Å; Q164-E168 WeakPolarHBondContact O-CG 3.44Å; Q164-E168 PolarHBondContact O-N 2.94Å; R165-E168 PolarHBondContact O-N 2.79Å; E168-D172 PolarHBondContact O-N 3.07Å
169L85.2Confident82.9Confident64 Ų6499.7 Ų99.734%0.33549%0.49SS..Hα-helixtrans-79.2-14.6178.1-75.8174.3000114.7R165 E166 K167 R175 L183R165-L169 WeakPolarHBondContact O-CB 3.33Å; R165-L169 WeakPolarHBondContact O-CD1 3.33Å; R165-L169 WeakPolarHBondContact O-CG 3.46Å; R165-L169 PolarHBondContact O-N 2.95Å; E166-L169 CarbonylContact O-C 3.59Å; E166-L169 PolarHBondContact O-N 2.98Å; K167-L169 PolarHBondContact O-N 3.33Å; L169-R175 PolarHBondContact O-NH1 2.88Å; L169-L183 HydrophobicContact CD1-CD1 3.93Å
170E85Confident81.3Confident164 Ų164104.9 Ų104.977%0.76652%0.523SS*.Hα-helixtrans-89-34169.4-177.9175.4-140.500111.1E166 K167 D172E166-E170 PolarHBondContact O-N 3.35Å; K167-E170 PolarHBondContact O-N 3.2Å; E170-D172 VanDerWaalsContact C-N 3.35Å
171E86.2Confident80Confident121 Ų121103.3 Ų103.357%0.56552%0.523SS*.Hα-helixtrans-73-23.1175.5-70.3-179.2169.200112.9K167 K173K167-E171 WeakPolarHBondContact CE-OE1 3.35Å; K167-E171 IonicContact NZ-OE1 3.51Å; K167-E171 PolarHBondContact NZ-OE1 3.23Å; K167-E171 PolarHBondContact O-N 3.02Å; E171-K173 PolarHBondContact O-N 2.63Å
172D83.8Confident79.2Confident69 Ų69108 Ų10837%0.36955%0.545SS..  trans-74.187.5174.8-176.410000113.7E168 E170 T174 R175E168-D172 PolarHBondContact O-N 3.07Å; E170-D172 VanDerWaalsContact C-N 3.35Å; D172-T174 PolarHBondContact O-N 2.88Å; D172-T174 VanDerWaalsContact O-N 3.08Å; D172-T174 WeakPolarHBondContact OD1-CA 3.43Å; D172-T174 VanDerWaalsContact OD1-CB 3.32Å; D172-T174 WeakPolarHBondContact OD1-CB 3.42Å; D172-T174 PolarHBondContact OD1-N 3.46Å; D172-T174 PolarHBondContact OD1-OG1 3.13Å; D172-T174 PolarHBondContact OD2-OG1 2.67Å; D172-R175 PolarHBondContact O-N 3.07Å
173K76.4Confident78.7Confident201 Ų201109.4 Ų109.487%0.87455%0.552SS**THydrogen-bonded Turntrans-65.7-2174.6-61.6171-171.4173.10115E171E171-K173 PolarHBondContact O-N 2.63Å
174T79.9Confident78.6Confident131 Ų131105.6 Ų105.680%0.80454%0.544SS*.THydrogen-bonded Turntrans-91.8-12.4178.274.90000113.5D172D172-T174 PolarHBondContact O-N 2.88Å; D172-T174 VanDerWaalsContact O-N 3.08Å; D172-T174 WeakPolarHBondContact OD1-CA 3.43Å; D172-T174 VanDerWaalsContact OD1-CB 3.32Å; D172-T174 WeakPolarHBondContact OD1-CB 3.42Å; D172-T174 PolarHBondContact OD1-N 3.46Å; D172-T174 PolarHBondContact OD1-OG1 3.13Å; D172-T174 PolarHBondContact OD2-OG1 2.67Å
175R71.8Confident78.8Confident86 Ų86101.2 Ų101.233%0.32552%0.524SS..SBendtrans-80.9137.1-176.9178.3171.9164.1-136.14.1112.6L169 D172 S179L169-R175 PolarHBondContact O-NH1 2.88Å; D172-R175 PolarHBondContact O-N 3.07Å; R175-S179 PolarHBondContact NH2-O 3.07Å
176D68.2Low79.1Confident113 Ų11398.2 Ų98.260%0.60452%0.518SS*.  trans-74.7123.7169.7179.622.7000110.9S178 S179D176-S178 PolarHBondContact O-N 3.17Å; D176-S178 PolarHBondContact OD1-N 2.9Å; D176-S178 WeakPolarHBondContact OD2-CB 3.31Å; D176-S178 PolarHBondContact OD2-OG 2.86Å; D176-S179 PolarHBondContact O-N 2.98Å; D176-S179 PolarHBondContact O-OG 3.07Å
177G65.4Low79.4Confident65 Ų6593.8 Ų93.867%0.6750%0.498SS*.THydrogen-bonded Turntrans-66.3-5.4-177.200000114.8S179G177-S179 PolarHBondContact O-N 3.31Å
178S64.3Low79.6Confident95 Ų9591.1 Ų91.166%0.66449%0.491SS*.THydrogen-bonded Turntrans-63.6-13.6172.968.10000114.7D176D176-S178 PolarHBondContact O-N 3.17Å; D176-S178 PolarHBondContact OD1-N 2.9Å; D176-S178 WeakPolarHBondContact OD2-CB 3.31Å; D176-S178 PolarHBondContact OD2-OG 2.86Å
179S58.9Low79.8Confident51 Ų5189.7 Ų89.736%0.35749%0.489SS..  trans-117.960.2-167.962.30000114R175 D176 G177 Q181R175-S179 PolarHBondContact NH2-O 3.07Å; D176-S179 PolarHBondContact O-N 2.98Å; D176-S179 PolarHBondContact O-OG 3.07Å; G177-S179 PolarHBondContact O-N 3.31Å; S179-Q181 PolarHBondContact O-N 3.48Å; S179-Q181 VanDerWaalsContact O-N 3.1Å
180V61.7Low80.2Confident129 Ų12988.8 Ų88.878%0.78249%0.487SS*.  trans-68.9104.6171-177.40000109.4
181Q67.3Low80.6Confident143 Ų14390.7 Ų90.767%0.66849%0.487SS*.  trans-88.6120.1168.7-65.4-179.328.700108.2S179 L183S179-Q181 PolarHBondContact O-N 3.48Å; S179-Q181 VanDerWaalsContact O-N 3.1Å; Q181-L183 PolarHBondContact O-N 2.78Å
182E75.8Confident81Confident170 Ų17089.3 Ų89.379%0.79448%0.481SS*.  trans-74.5106.1178.1-165.8178.1-171.100109.8T184E182-T184 HydrophobicContact CG-CG2 4.12Å; E182-T184 PolarHBondContact O-N 2.86Å; E182-T184 VanDerWaalsContact O-N 3.08Å
183L83.3Confident81.5Confident51 Ų5189.8 Ų89.827%0.26749%0.488SS..  trans-79.691.6-176.3-78.6-179.9000110.6L162 R165 E166 L169 Q181L162-L183 HydrophobicContact CB-CB 4.48Å; L162-L183 HydrophobicContact CD2-CB 4.14Å; L162-L183 HydrophobicContact CD2-CD2 4.19Å; R165-L183 HydrophobicContact CB-CD1 4.13Å; E166-L183 HydrophobicContact CG-CB 4.33Å; E166-L183 HydrophobicContact CG-CD1 3.7Å; L169-L183 HydrophobicContact CD1-CD1 3.93Å; Q181-L183 PolarHBondContact O-N 2.78Å
184T91.8Very high82.3Confident56 Ų5681.1 Ų81.134%0.34445%0.451SS..  trans-100.1153.9179.451.80000112.6L162 E182 V186L162-T184 VanDerWaalsContact CD1-C 3.42Å; L162-T184 WeakPolarHBondContact CD1-O 3.17Å; E182-T184 HydrophobicContact CG-CG2 4.12Å; E182-T184 PolarHBondContact O-N 2.86Å; E182-T184 VanDerWaalsContact O-N 3.08Å; T184-V186 PolarHBondContact O-N 3.49Å
185V94Very high82.9Confident7 Ų780.7 Ų80.74%0.04245%0.448CS..  trans-73.2126.5170.8-179.60000108.9Y154 V155 E159 L162 L194 Y196Y154-V185 HydrophobicContact CD1-CG1 4.34Å; Y154-V185 HydrophobicContact CE1-CG1 3.79Å; V155-V185 HydrophobicContact CG2-CG1 4.31Å; E159-V185 HydrophobicContact CG-CG2 4.33Å; L162-V185 HydrophobicContact CD1-CB 4.49Å; L162-V185 HydrophobicContact CD1-CG2 3.74Å; V185-L194 HydrophobicContact CG1-CD1 4.34Å; V185-L194 PolarHBondContact O-N 2.91Å; V185-Y196 HydrophobicContact CB-CE1 3.91Å; V185-Y196 HydrophobicContact CG2-CE1 4.19Å; V185-Y196 WeakPolarHBondContact CG2-OH 3.23Å
186V95.1Very high83.8Confident48 Ų4880.5 Ų80.529%0.29145%0.448SS..BIsolated β-bridgetrans-106.4157.6-173.9-64.90000112.6Y154 T184 R191 E192Y154-V186 VanDerWaalsContact CE1-O 3.27Å; Y154-V186 WeakPolarHBondContact CE1-O 3.43Å; Y154-V186 PolarHBondContact OH-O 3.5Å; Y154-V186 VanDerWaalsContact OH-O 3.06Å; T184-V186 PolarHBondContact O-N 3.49Å; V186-R191 HydrophobicContact CB-CB 4.44Å; V186-R191 WeakPolarHBondContact CB-O 3.35Å; V186-R191 WeakPolarHBondContact CG1-O 3.43Å; V186-E192 CarbonylContact C-O 3.56Å; V186-E192 WeakPolarHBondContact CA-O 3.46Å
187C95.4Very high85Confident1 Ų178.5 Ų78.51%0.00744%0.437CS..  trans-63.8129.7177.7-179.70000111.5V189 C190 R191 E192 L194C187-V189 PolarHBondContact O-N 2.58Å; C187-V189 PolarHBondContact SG-N 2.88Å; C187-V189 VanDerWaalsContact SG-N 3.45Å; C187-C190 VanDerWaalsContact CB-SG 3.56Å; C187-R191 VanDerWaalsContact O-CA 3.27Å; C187-R191 WeakPolarHBondContact O-CA 3.47Å; C187-R191 PolarHBondContact O-N 2.85Å; C187-E192 WeakPolarHBondContact CB-O 3.45Å; C187-E192 PolarHBondContact N-O 3.49Å; C187-L194 HydrophobicContact CB-CD2 3.78Å; C187-L194 HydrophobicContact CB-CG 4.39Å
188P94.3Very high86.2Confident49 Ų4979.7 Ų79.732%0.31842%0.422SS..THydrogen-bonded Turntrans-54.9-23.7174.5-28.234000115.4V125 I126 F146 Y154V125-P188 HydrophobicContact CG2-CB 4.34Å; I126-P188 HydrophobicContact CD1-CG 4.45Å; F146-P188 HydrophobicContact CE1-CB 4.06Å; F146-P188 HydrophobicContact CE1-CG 3.78Å; F146-P188 HydrophobicContact CZ-CB 4.44Å; F146-P188 HydrophobicContact CZ-CG 4.12Å; Y154-P188 HydrophobicContact CD1-CG 3.93Å; Y154-P188 HydrophobicContact CD2-CG 4.11Å; Y154-P188 HydrophobicContact CE1-CG 3.75Å; Y154-P188 HydrophobicContact CE2-CG 3.94Å; Y154-P188 HydrophobicContact CG-CG 4.12Å
189V93.1Very high87.5Confident70 Ų7079.8 Ų79.842%0.42442%0.415SS..THydrogen-bonded Turntrans-94.4-62.3-177.3-172.20000111.8V125 H144 F146 C187V125-V189 HydrophobicContact CG1-CG2 4.18Å; V125-V189 HydrophobicContact CG2-CG2 3.78Å; H144-V189 HydrophobicContact CB-CG2 4.4Å; H144-V189 WeakPolarHBondContact NE2-CG1 3.47Å; F146-V189 HydrophobicContact CZ-CG2 4.21Å; C187-V189 PolarHBondContact O-N 2.58Å; C187-V189 PolarHBondContact SG-N 2.88Å; C187-V189 VanDerWaalsContact SG-N 3.45Å
190C92.8Very high89Confident44 Ų4483.7 Ų83.730%0.29743%0.427SS..THydrogen-bonded Turntrans-102.3-7.1-171.958.80000115.1C142 C187 E192C142-C190 PolarHBondContact SG-SG 3.29Å; C187-C190 VanDerWaalsContact CB-SG 3.56Å; C190-E192 HydrophobicContact CB-CG 4.49Å; C190-E192 WeakPolarHBondContact CB-OE1 3.31Å; C190-E192 PolarHBondContact O-N 3.36Å; C190-E192 PolarHBondContact SG-OE1 2.96Å
191R93.7Very high90.5Very high204 Ų20477.9 Ų77.977%0.7739%0.392SS*.  trans62.513.9-176-49.9-178.4-178.7-165.1-0.9116.5V186 C187V186-R191 HydrophobicContact CB-CB 4.44Å; V186-R191 WeakPolarHBondContact CB-O 3.35Å; V186-R191 WeakPolarHBondContact CG1-O 3.43Å; C187-R191 VanDerWaalsContact O-CA 3.27Å; C187-R191 WeakPolarHBondContact O-CA 3.47Å; C187-R191 PolarHBondContact O-N 2.85Å
192E94.3Very high91.7Very high93 Ų9374.1 Ų74.144%0.43538%0.376SS..PPolyproline II helixtrans-66.3144.4167.1-68.6165-113.400110.9C142 V186 C187 C190C142-E192 HydrophobicContact CB-CB 4.28Å; C142-E192 VanDerWaalsContact CB-CD 3.44Å; C142-E192 HydrophobicContact CB-CG 4.47Å; C142-E192 WeakPolarHBondContact CB-OE1 3.38Å; C142-E192 WeakPolarHBondContact CB-OE2 3.46Å; V186-E192 CarbonylContact C-O 3.56Å; V186-E192 WeakPolarHBondContact CA-O 3.46Å; C187-E192 WeakPolarHBondContact CB-O 3.45Å; C187-E192 PolarHBondContact N-O 3.49Å; C190-E192 HydrophobicContact CB-CG 4.49Å; C190-E192 WeakPolarHBondContact CB-OE1 3.31Å; C190-E192 PolarHBondContact O-N 3.36Å; C190-E192 PolarHBondContact SG-OE1 2.96Å
193P94.1Very high92.4Very high79 Ų7974.3 Ų74.351%0.51337%0.374SS..BIsolated β-bridgetrans-57.3141.6176-25.535.2000113.1
194L93.5Very high92.8Very high18 Ų1872.9 Ų72.99%0.09437%0.369CS..PPolyproline II helixtrans-99.7135.2-179.8-64.4-177000112.4T140 L151 V185 C187 Y196T140-L194 HydrophobicContact CG2-CD2 3.68Å; L151-L194 HydrophobicContact CD1-CD1 4.01Å; V185-L194 HydrophobicContact CG1-CD1 4.34Å; V185-L194 PolarHBondContact O-N 2.91Å; C187-L194 HydrophobicContact CB-CD2 3.78Å; C187-L194 HydrophobicContact CB-CG 4.39Å; L194-Y196 HydrophobicContact CB-CD1 3.97Å; L194-Y196 WeakPolarHBondContact O-CD1 3.47Å
195T91.9Very high92.6Very high122 Ų12274.3 Ų74.375%0.74838%0.379SS*.PPolyproline II helixtrans-93.3130.8159.747.90000109.3
196Y91.5Very high92.3Very high83 Ų8376.9 Ų76.933%0.32540%0.401SS..  trans-159.7149.5-174.760.9-89.9000112.9V155 E159 V185 L194 R198V155-Y196 HydrophobicContact CB-CD2 4.48Å; V155-Y196 HydrophobicContact CB-CE2 4.32Å; V155-Y196 HydrophobicContact CG1-CD2 3.68Å; V155-Y196 HydrophobicContact CG1-CE2 3.22Å; V155-Y196 HydrophobicContact CG2-CD1 4.21Å; V155-Y196 HydrophobicContact CG2-CD2 3.97Å; V155-Y196 HydrophobicContact CG2-CE1 4.33Å; V155-Y196 HydrophobicContact CG2-CE2 4.1Å; V155-Y196 HydrophobicContact CG2-CG 4.04Å; E159-Y196 PolarHBondContact OE1-OH 2.72Å; V185-Y196 HydrophobicContact CB-CE1 3.91Å; V185-Y196 HydrophobicContact CG2-CE1 4.19Å; V185-Y196 WeakPolarHBondContact CG2-OH 3.23Å; L194-Y196 HydrophobicContact CB-CD1 3.97Å; L194-Y196 WeakPolarHBondContact O-CD1 3.47Å; Y196-R198 HydrophobicContact CD2-CB 4.16Å; Y196-R198 HydrophobicContact CE2-CB 4.1Å
197D92.4Very high91.7Very high70 Ų7075.4 Ų75.437%0.37439%0.392SS..  trans-99.7111.3155.1174.918.3000109.5N199 Q200 L201D197-N199 PolarHBondContact O-N 3.2Å; D197-N199 WeakPolarHBondContact OD1-CB 3.4Å; D197-N199 PolarHBondContact OD1-N 3.41Å; D197-N199 PolarHBondContact OD1-ND2 2.89Å; D197-Q200 HydrophobicContact CB-CB 3.93Å; D197-Q200 PolarHBondContact O-N 3.34Å; D197-Q200 WeakPolarHBondContact OD2-CB 3.33Å; D197-Q200 PolarHBondContact OD2-N 2.69Å; D197-L201 WeakPolarHBondContact O-CG 3.33Å; D197-L201 PolarHBondContact O-N 2.94Å; D197-L201 VanDerWaalsContact O-N 3.09Å
198R90.8Very high90.9Very high90 Ų9082.2 Ų82.234%0.3442%0.424SS..Hα-helixtrans-57.8-33.9177.3174.2176.4153.5-156.7-13.4112V155 V156 E159 Y196 L202V155-R198 HydrophobicContact CG1-CB 4.04Å; V155-R198 HydrophobicContact CG1-CG 4.04Å; V156-R198 HydrophobicContact CG2-CG 4.33Å; E159-R198 WeakPolarHBondContact OE1-CD 3.27Å; E159-R198 IonicContact OE2-CZ 3.99Å; E159-R198 IonicContact OE2-NH1 3.79Å; E159-R198 PolarHBondContact OE2-NH1 2.82Å; Y196-R198 HydrophobicContact CD2-CB 4.16Å; Y196-R198 HydrophobicContact CE2-CB 4.1Å; R198-L202 HydrophobicContact CG-CD1 3.72Å; R198-L202 HydrophobicContact CG-CG 4.47Å; R198-L202 WeakPolarHBondContact O-CB 3.45Å; R198-L202 WeakPolarHBondContact O-CD1 3.43Å; R198-L202 WeakPolarHBondContact O-CG 3.44Å; R198-L202 PolarHBondContact O-N 3.38Å; R198-L202 VanDerWaalsContact O-N 3.12Å
199N91.2Very high89.8Confident98 Ų9885.2 Ų85.252%0.52444%0.437SS..Hα-helixtrans-75.9-42.9-177.3-54.4-72.6000111.6D197 L202 K203D197-N199 PolarHBondContact O-N 3.2Å; D197-N199 WeakPolarHBondContact OD1-CB 3.4Å; D197-N199 PolarHBondContact OD1-N 3.41Å; D197-N199 PolarHBondContact OD1-ND2 2.89Å; N199-L202 PolarHBondContact O-N 3.42Å; N199-K203 WeakPolarHBondContact O-CB 3.41Å; N199-K203 WeakPolarHBondContact O-CD 3.26Å; N199-K203 WeakPolarHBondContact O-CG 3.33Å; N199-K203 PolarHBondContact O-N 3.02Å
200Q91.9Very high88.7Confident132 Ų13285.6 Ų85.662%0.61744%0.441SS*.Hα-helixtrans-58.2-49.3172-171.4-179.725.900111.3D197 L202 K203 S204D197-Q200 HydrophobicContact CB-CB 3.93Å; D197-Q200 PolarHBondContact O-N 3.34Å; D197-Q200 WeakPolarHBondContact OD2-CB 3.33Å; D197-Q200 PolarHBondContact OD2-N 2.69Å; Q200-L202 PolarHBondContact O-N 2.99Å; Q200-K203 PolarHBondContact O-N 3.19Å; Q200-S204 PolarHBondContact O-N 2.8Å; Q200-S204 PolarHBondContact O-OG 2.89Å
201L92.8Very high87.5Confident8 Ų892.5 Ų92.54%0.04247%0.469CS..Hα-helixtrans-61-39179.9-69.6175.4000113.4T138 S148 H149 L151 V155 D197 S204T138-L201 HydrophobicContact CG2-CD2 4.27Å; T138-L201 WeakPolarHBondContact OG1-CD2 3.38Å; S148-L201 CarbonylContact C-O 3.53Å; H149-L201 WeakPolarHBondContact CA-O 3.43Å; H149-L201 PolarHBondContact N-O 3.35Å; L151-L201 HydrophobicContact CB-CD1 4.34Å; L151-L201 HydrophobicContact CB-CD2 4.36Å; L151-L201 HydrophobicContact CD2-CD1 4.07Å; L151-L201 HydrophobicContact CD2-CD2 4.18Å; L151-L201 HydrophobicContact CG-CD1 3.99Å; V155-L201 HydrophobicContact CG2-CD1 4.42Å; D197-L201 WeakPolarHBondContact O-CG 3.33Å; D197-L201 PolarHBondContact O-N 2.94Å; D197-L201 VanDerWaalsContact O-N 3.09Å; L201-S204 WeakPolarHBondContact O-CB 3.49Å
202L91.3Very high86Confident64 Ų6489 Ų8934%0.33546%0.464SS..Hα-helixtrans-80.4-21.7-179.7-69.3170.7000114.1V156 R198 N199 Q200V156-L202 HydrophobicContact CG2-CD1 3.66Å; V156-L202 HydrophobicContact CG2-CD2 4.15Å; V156-L202 HydrophobicContact CG2-CG 4.4Å; R198-L202 HydrophobicContact CG-CD1 3.72Å; R198-L202 HydrophobicContact CG-CG 4.47Å; R198-L202 WeakPolarHBondContact O-CB 3.45Å; R198-L202 WeakPolarHBondContact O-CD1 3.43Å; R198-L202 WeakPolarHBondContact O-CG 3.44Å; R198-L202 PolarHBondContact O-N 3.38Å; R198-L202 VanDerWaalsContact O-N 3.12Å; N199-L202 PolarHBondContact O-N 3.42Å; Q200-L202 PolarHBondContact O-N 2.99Å
203K92.3Very high84.6Confident174 Ų17488.8 Ų88.876%0.75747%0.466SS*.Hα-helixtrans-71.6-20.7171.7-76.8166.7-177.1175.40112.5N199 Q200N199-K203 WeakPolarHBondContact O-CB 3.41Å; N199-K203 WeakPolarHBondContact O-CD 3.26Å; N199-K203 WeakPolarHBondContact O-CG 3.33Å; N199-K203 PolarHBondContact O-N 3.02Å; Q200-K203 PolarHBondContact O-N 3.19Å
204S90.5Very high83.1Confident21 Ų2191.8 Ų91.815%0.14747%0.473CS..SBendtrans-66.4142.7176.5-60.20000112.1T136 S148 H149 Q200 L201T136-S204 WeakPolarHBondContact OG1-CB 3.36Å; S148-S204 WeakPolarHBondContact CB-OG 3.46Å; H149-S204 PolarHBondContact ND1-O 3.09Å; H149-S204 VanDerWaalsContact ND1-O 3.08Å; Q200-S204 PolarHBondContact O-N 2.8Å; Q200-S204 PolarHBondContact O-OG 2.89Å; L201-S204 WeakPolarHBondContact O-CB 3.49Å
205P88.3Confident81.6Confident85 Ų8594.8 Ų94.855%0.55250%0.501SS*.PPolyproline II helixtrans-61.4151.6174.627.4-35.3000111.3T136 H149T136-P205 HydrophobicContact CG2-CG 4.38Å; H149-P205 VanDerWaalsContact CB-O 3.22Å; H149-P205 WeakPolarHBondContact CB-O 3.21Å
206A86.3Confident80.1Confident61 Ų6192.8 Ų92.850%0.50450%0.497SS..PPolyproline II helixtrans-66.1143.916800000109.6
207P83.3Confident78.9Confident18 Ų1890.9 Ų90.912%0.11749%0.492CS..PPolyproline II helixtrans-62.8148176.528.4-35.7000110.7H147 L209H147-P207 HydrophobicContact CB-CB 4.36Å; H147-P207 HydrophobicContact CB-CG 4.18Å; P207-L209 PolarHBondContact O-N 2.94Å
208E78.2Confident78.2Confident144 Ų14489.2 Ų89.267%0.67349%0.491SS*.  trans-77.595.5-176.7-81.8-179178.800109.8K132 E135K132-E208 PolarHBondContact NZ-O 2.88Å; K132-E208 IonicContact NZ-OE2 3.96Å; E135-E208 PolarHBondContact OE1-N 2.8Å
209L72.3Confident77.7Confident111 Ų11189.4 Ų89.458%0.58151%0.506SS*.PPolyproline II helixtrans-56.1128173.2-57.5177.9000109.4Y129 P207 E211Y129-L209 HydrophobicContact CD2-CD2 3.68Å; Y129-L209 HydrophobicContact CE2-CD2 3.34Å; P207-L209 PolarHBondContact O-N 2.94Å; L209-E211 PolarHBondContact O-N 2.68Å
210P69.6Low77.3Confident78 Ų7888.6 Ų88.651%0.50650%0.502SS..PPolyproline II helixtrans-55.6132.7173.6-2433.8000110.7Y129 L212Y129-P210 HydrophobicContact CD1-CG 3.96Å; Y129-P210 VanDerWaalsContact CE1-CD 3.48Å; Y129-P210 HydrophobicContact CE1-CG 3.97Å; P210-L212 PolarHBondContact O-N 2.86Å
211E66.5Low76.9Confident190 Ų19088.1 Ų88.189%0.88850%0.498SS*.PPolyproline II helixtrans-59.4128.6174-66.4-164.6149.900109.7L209 D213L209-E211 PolarHBondContact O-N 2.68Å; E211-D213 VanDerWaalsContact C-N 3.32Å; E211-D213 PolarHBondContact O-N 2.97Å
212L63.4Low76.5Confident130 Ų13092.8 Ų92.868%0.68152%0.52SS*.  trans-79.882.2-170.3-165.277.5000110.4P210 Q214 I217P210-L212 PolarHBondContact O-N 2.86Å; L212-Q214 PolarHBondContact O-N 3.38Å; L212-Q214 VanDerWaalsContact O-N 3.1Å; L212-Q214 PolarHBondContact O-NE2 3.4Å; L212-I217 HydrophobicContact CD2-CD1 3.92Å; L212-I217 HydrophobicContact CG-CD1 4.22Å
213D64.9Low76.3Confident88 Ų8897.2 Ų97.247%0.47153%0.532SS..  trans-50.2116178.7171.330000111.5E211 A215 A216 I217E211-D213 VanDerWaalsContact C-N 3.32Å; E211-D213 PolarHBondContact O-N 2.97Å; D213-A215 PolarHBondContact O-N 2.8Å; D213-A215 WeakPolarHBondContact OD1-CB 3.41Å; D213-A215 PolarHBondContact OD1-N 2.88Å; D213-A216 HydrophobicContact CB-CB 4.06Å; D213-A216 WeakPolarHBondContact O-CB 3.44Å; D213-A216 PolarHBondContact O-N 2.71Å; D213-A216 WeakPolarHBondContact OD2-CB 3.38Å; D213-A216 PolarHBondContact OD2-N 2.98Å; D213-I217 PolarHBondContact O-N 3.38Å
214Q62.8Low76.1Confident142 Ų14294.7 Ų94.766%0.66452%0.521SS*.THydrogen-bonded Turntrans-72.5-13.9179.8-71.6111.278.600113.2L212 I217L212-Q214 PolarHBondContact O-N 3.38Å; L212-Q214 VanDerWaalsContact O-N 3.1Å; L212-Q214 PolarHBondContact O-NE2 3.4Å; Q214-I217 HydrophobicContact CG-CD1 4.1Å
215A62.5Low76Confident82 Ų82101 Ų10168%0.67854%0.542SS*.THydrogen-bonded Turntrans-75.5-37.6167.700000111.9D213 I217D213-A215 PolarHBondContact O-N 2.8Å; D213-A215 WeakPolarHBondContact OD1-CB 3.41Å; D213-A215 PolarHBondContact OD1-N 2.88Å; A215-I217 PolarHBondContact O-N 2.95Å
216A60.3Low76.2Confident80 Ų8098.4 Ų98.466%0.66153%0.531SS*.THydrogen-bonded Turntrans-64.6-24.5169.700000113.3D213 G218D213-A216 HydrophobicContact CB-CB 4.06Å; D213-A216 WeakPolarHBondContact O-CB 3.44Å; D213-A216 PolarHBondContact O-N 2.71Å; D213-A216 WeakPolarHBondContact OD2-CB 3.38Å; D213-A216 PolarHBondContact OD2-N 2.98Å; A216-G218 PolarHBondContact O-N 2.76Å
217I65.1Low76.5Confident43 Ų43101 Ų10122%0.22153%0.532CS..SBendtrans-72.870.9166.5-50176.7000109.6L212 D213 Q214 A215 F221 Q222L212-I217 HydrophobicContact CD2-CD1 3.92Å; L212-I217 HydrophobicContact CG-CD1 4.22Å; D213-I217 PolarHBondContact O-N 3.38Å; Q214-I217 HydrophobicContact CG-CD1 4.1Å; A215-I217 PolarHBondContact O-N 2.95Å; I217-F221 HydrophobicContact CG2-CB 4.29Å; I217-F221 HydrophobicContact CG2-CD1 3.46Å; I217-F221 VanDerWaalsContact CG2-CD1 3.46Å; I217-F221 HydrophobicContact CG2-CE1 4.14Å; I217-F221 HydrophobicContact CG2-CG 4.14Å; I217-Q222 HydrophobicContact CG2-CG 3.95Å; I217-Q222 PolarHBondContact O-NE2 3.46Å
218G78.7Confident76.9Confident35 Ų35105.2 Ų105.236%0.36155%0.553SS.*  trans-52.5147.6-174.400000113.7A216 D220 F221 Q222A216-G218 PolarHBondContact O-N 2.76Å; G218-D220 PolarHBondContact O-N 3.08Å; G218-F221 WeakPolarHBondContact O-CB 3.43Å; G218-F221 PolarHBondContact O-N 3.32Å; G218-Q222 PolarHBondContact O-N 3.01Å
219S78.7Confident77.6Confident94 Ų94102.6 Ų102.666%0.65754%0.541SS*.Hα-helixtrans-53.2-26.4-171.7580000115R223S219-R223 WeakPolarHBondContact O-CB 3.44Å; S219-R223 PolarHBondContact O-N 2.86Å
220D83.1Confident78.6Confident81 Ų81104.4 Ų104.443%0.43354%0.544SS..Hα-helixtrans-66.6-33.4173.3-105.4-2.8000114.3G218 R223 K224G218-D220 PolarHBondContact O-N 3.08Å; D220-R223 IonicContact OD1-CZ 3.42Å; D220-R223 IonicContact OD1-NE 3.47Å; D220-R223 PolarHBondContact OD1-NE 3.04Å; D220-R223 IonicContact OD1-NH2 2.64Å; D220-R223 PolarHBondContact OD1-NH2 2.82Å; D220-K224 WeakPolarHBondContact O-CB 3.45Å; D220-K224 WeakPolarHBondContact O-CD 3.43Å; D220-K224 VanDerWaalsContact O-CG 3.25Å; D220-K224 WeakPolarHBondContact O-CG 3.43Å; D220-K224 PolarHBondContact O-N 2.81Å
221F83.8Confident79.6Confident121 Ų121105.1 Ų105.153%0.53154%0.543SS..Hα-helixtrans-69.9-52.1172.6-179.8-88.1000110.2I217 G218 R223 K224 W225I217-F221 HydrophobicContact CG2-CB 4.29Å; I217-F221 HydrophobicContact CG2-CD1 3.46Å; I217-F221 VanDerWaalsContact CG2-CD1 3.46Å; I217-F221 HydrophobicContact CG2-CE1 4.14Å; I217-F221 HydrophobicContact CG2-CG 4.14Å; G218-F221 WeakPolarHBondContact O-CB 3.43Å; G218-F221 PolarHBondContact O-N 3.32Å; F221-R223 VanDerWaalsContact C-N 3.26Å; F221-R223 PolarHBondContact O-N 3.36Å; F221-K224 PolarHBondContact O-N 2.74Å; F221-W225 HydrophobicContact CE1-CB 4.39Å; F221-W225 HydrophobicContact CZ-CE3 4.37Å; F221-W225 WeakPolarHBondContact O-CB 3.49Å; F221-W225 PolarHBondContact O-N 2.65Å
222Q84.5Confident80.7Confident106 Ų10699.4 Ų99.450%0.49552%0.518SS..Hα-helixtrans-56-42.7180-54.5-176.810.100111.4I217 G218 W225 G226I217-Q222 HydrophobicContact CG2-CG 3.95Å; I217-Q222 PolarHBondContact O-NE2 3.46Å; G218-Q222 PolarHBondContact O-N 3.01Å; Q222-W225 PolarHBondContact O-N 3.04Å; Q222-G226 PolarHBondContact O-N 2.94Å
223R87Confident81.9Confident158 Ų15897.3 Ų97.360%0.59651%0.505SS*.Hα-helixtrans-63.4-41.6175.5179.616766.5161.1-0.1113.3S219 D220 F221 Q227S219-R223 WeakPolarHBondContact O-CB 3.44Å; S219-R223 PolarHBondContact O-N 2.86Å; D220-R223 IonicContact OD1-CZ 3.42Å; D220-R223 IonicContact OD1-NE 3.47Å; D220-R223 PolarHBondContact OD1-NE 3.04Å; D220-R223 IonicContact OD1-NH2 2.64Å; D220-R223 PolarHBondContact OD1-NH2 2.82Å; F221-R223 VanDerWaalsContact C-N 3.26Å; F221-R223 PolarHBondContact O-N 3.36Å; R223-Q227 WeakPolarHBondContact O-CG 3.45Å; R223-Q227 PolarHBondContact O-N 2.7Å
224K88.9Confident83.1Confident121 Ų12199.8 Ų99.853%0.52651%0.511SS..Hα-helixtrans-69.3-40.2175.6-75.4169.2-175.9168.70111.5D220 F221 Q227 L228D220-K224 WeakPolarHBondContact O-CB 3.45Å; D220-K224 WeakPolarHBondContact O-CD 3.43Å; D220-K224 VanDerWaalsContact O-CG 3.25Å; D220-K224 WeakPolarHBondContact O-CG 3.43Å; D220-K224 PolarHBondContact O-N 2.81Å; F221-K224 PolarHBondContact O-N 2.74Å; K224-Q227 WeakPolarHBondContact O-CB 3.34Å; K224-Q227 PolarHBondContact O-N 2.88Å; K224-Q227 VanDerWaalsContact O-N 3.11Å; K224-L228 WeakPolarHBondContact O-CG 3.43Å; K224-L228 PolarHBondContact O-N 3.47Å
225W88.5Confident84.3Confident153 Ų15397.4 Ų97.458%0.5850%0.5SS*.Hα-helixtrans-58-50.7175.9-174.3-100.9000111.2F221 Q222 Q227 L228 Q229F221-W225 HydrophobicContact CE1-CB 4.39Å; F221-W225 HydrophobicContact CZ-CE3 4.37Å; F221-W225 WeakPolarHBondContact O-CB 3.49Å; F221-W225 PolarHBondContact O-N 2.65Å; Q222-W225 PolarHBondContact O-N 3.04Å; W225-Q227 PolarHBondContact O-N 2.96Å; W225-L228 PolarHBondContact O-N 3.42Å; W225-L228 VanDerWaalsContact O-N 3.13Å; W225-Q229 WeakPolarHBondContact O-CB 3.34Å; W225-Q229 PolarHBondContact O-N 2.79Å
226G91.9Very high85.4Confident31 Ų31101.6 Ų101.632%0.3250%0.498SS..Hα-helixtrans-65.1-17.2175.400000115.2Q222 K230Q222-G226 PolarHBondContact O-N 2.94Å; G226-K230 WeakPolarHBondContact O-CG 3.34Å
227Q92.8Very high86.6Confident116 Ų116103.2 Ų103.254%0.54250%0.504SS..Hα-helixtrans-81.8-44.8169.2-73172.5-000111.5R223 K224 W225 Q229 K230 I231R223-Q227 WeakPolarHBondContact O-CG 3.45Å; R223-Q227 PolarHBondContact O-N 2.7Å; K224-Q227 WeakPolarHBondContact O-CB 3.34Å; K224-Q227 PolarHBondContact O-N 2.88Å; K224-Q227 VanDerWaalsContact O-N 3.11Å; W225-Q227 PolarHBondContact O-N 2.96Å; Q227-Q229 VanDerWaalsContact C-N 3.34Å; Q227-K230 PolarHBondContact O-N 3.31Å; Q227-I231 WeakPolarHBondContact O-CG1 3.48Å; Q227-I231 PolarHBondContact O-N 2.82Å
228L91.9Very high87.6Confident106 Ų106106.9 Ų106.956%0.55552%0.524SS*.Hα-helixtrans-63.7-38.9176.7-70.2169.2000111.7K224 W225 K230 I231 L232K224-L228 WeakPolarHBondContact O-CG 3.43Å; K224-L228 PolarHBondContact O-N 3.47Å; W225-L228 PolarHBondContact O-N 3.42Å; W225-L228 VanDerWaalsContact O-N 3.13Å; L228-K230 VanDerWaalsContact C-N 3.34Å; L228-K230 PolarHBondContact O-N 2.8Å; L228-I231 WeakPolarHBondContact O-CA 3.36Å; L228-I231 WeakPolarHBondContact O-CB 3.49Å; L228-I231 PolarHBondContact O-N 2.8Å; L228-I231 VanDerWaalsContact O-N 3.08Å; L228-L232 PolarHBondContact O-N 3.37Å
229Q91.6Very high87.8Confident89 Ų89108.6 Ų108.642%0.41654%0.541SS..Hα-helixtrans-61.3-40.6177.1-166.7-177.3-43.800112W225 Q227 I231 L232 E233W225-Q229 WeakPolarHBondContact O-CB 3.34Å; W225-Q229 PolarHBondContact O-N 2.79Å; Q227-Q229 VanDerWaalsContact C-N 3.34Å; Q229-I231 VanDerWaalsContact C-N 3.29Å; Q229-I231 PolarHBondContact O-N 2.88Å; Q229-L232 WeakPolarHBondContact O-CB 3.46Å; Q229-L232 PolarHBondContact O-N 3.27Å; Q229-E233 WeakPolarHBondContact CG-OE1 3.47Å; Q229-E233 PolarHBondContact NE2-OE1 2.96Å; Q229-E233 WeakPolarHBondContact O-CB 3.34Å; Q229-E233 VanDerWaalsContact O-CG 3.29Å; Q229-E233 WeakPolarHBondContact O-CG 3.34Å; Q229-E233 PolarHBondContact O-N 2.93Å
230K93.4Very high87.8Confident148 Ų148106.6 Ų106.664%0.64354%0.536SS*.Hα-helixtrans-67.3-28.5174.3-69.7175.4-178.2-176.10113.2G226 Q227 L228 K234G226-K230 WeakPolarHBondContact O-CG 3.34Å; Q227-K230 PolarHBondContact O-N 3.31Å; L228-K230 VanDerWaalsContact C-N 3.34Å; L228-K230 PolarHBondContact O-N 2.8Å; K230-K234 WeakPolarHBondContact O-CB 3.32Å; K230-K234 PolarHBondContact O-N 2.87Å
231I91.5Very high87.8Confident93 Ų93106 Ų10648%0.47753%0.532SS..Hα-helixtrans-72.3-42.9172.4-65.6166.9000109.8Q227 L228 Q229 K234 Q235Q227-I231 WeakPolarHBondContact O-CG1 3.48Å; Q227-I231 PolarHBondContact O-N 2.82Å; L228-I231 WeakPolarHBondContact O-CA 3.36Å; L228-I231 WeakPolarHBondContact O-CB 3.49Å; L228-I231 PolarHBondContact O-N 2.8Å; L228-I231 VanDerWaalsContact O-N 3.08Å; Q229-I231 VanDerWaalsContact C-N 3.29Å; Q229-I231 PolarHBondContact O-N 2.88Å; I231-K234 PolarHBondContact O-N 2.82Å; I231-Q235 WeakPolarHBondContact O-CG 3.24Å; I231-Q235 PolarHBondContact O-N 2.62Å
232L88.9Confident87.4Confident71 Ų71106.2 Ų106.237%0.37254%0.537SS..Hα-helixtrans-61-46.9175.8-17079000111.8L228 Q229 K234 Q235 R236 I241L228-L232 PolarHBondContact O-N 3.37Å; Q229-L232 WeakPolarHBondContact O-CB 3.46Å; Q229-L232 PolarHBondContact O-N 3.27Å; L232-K234 VanDerWaalsContact C-N 3.35Å; L232-K234 PolarHBondContact O-N 3.18Å; L232-Q235 PolarHBondContact O-N 3.03Å; L232-Q235 VanDerWaalsContact O-N 3.15Å; L232-R236 WeakPolarHBondContact O-CG 3.48Å; L232-R236 PolarHBondContact O-N 3.17Å; L232-I241 HydrophobicContact CD1-CD1 3.47Å; L232-I241 VanDerWaalsContact CD1-CD1 3.47Å; L232-I241 HydrophobicContact CG-CD1 3.99Å
233E89.1Confident87Confident85 Ų85104.7 Ų104.740%0.39753%0.532SS..Hα-helixtrans-57.4-46.6174.7-73.3159.6-171.900110.9Q229 Q235 R236 C237Q229-E233 WeakPolarHBondContact CG-OE1 3.47Å; Q229-E233 PolarHBondContact NE2-OE1 2.96Å; Q229-E233 WeakPolarHBondContact O-CB 3.34Å; Q229-E233 VanDerWaalsContact O-CG 3.29Å; Q229-E233 WeakPolarHBondContact O-CG 3.34Å; Q229-E233 PolarHBondContact O-N 2.93Å; E233-Q235 VanDerWaalsContact C-N 3.34Å; E233-Q235 PolarHBondContact O-N 3.39Å; E233-R236 PolarHBondContact O-N 2.91Å; E233-C237 PolarHBondContact O-N 3.16Å; E233-C237 PolarHBondContact O-SG 3.2Å; E233-C237 VanDerWaalsContact O-SG 3.37Å
234K90.1Very high86.5Confident141 Ų141101.8 Ų101.861%0.61353%0.534SS*.Hα-helixtrans-64.6-34.8175.3-172.4174.4-178.2178.10113K230 I231 L232 N238K230-K234 WeakPolarHBondContact O-CB 3.32Å; K230-K234 PolarHBondContact O-N 2.87Å; I231-K234 PolarHBondContact O-N 2.82Å; L232-K234 VanDerWaalsContact C-N 3.35Å; L232-K234 PolarHBondContact O-N 3.18Å; K234-N238 WeakPolarHBondContact O-CB 3.48Å; K234-N238 VanDerWaalsContact O-CG 3.24Å; K234-N238 PolarHBondContact O-N 3.09Å; K234-N238 PolarHBondContact O-OD1 3.28Å
235Q87.9Confident85.8Confident91 Ų91102.8 Ų102.843%0.42554%0.54SS..Hα-helixtrans-68.7-39.5174.5-75.7172.2-35.300111.5I231 L232 E233 N238 G239 G240 I241I231-Q235 WeakPolarHBondContact O-CG 3.24Å; I231-Q235 PolarHBondContact O-N 2.62Å; L232-Q235 PolarHBondContact O-N 3.03Å; L232-Q235 VanDerWaalsContact O-N 3.15Å; E233-Q235 VanDerWaalsContact C-N 3.34Å; E233-Q235 PolarHBondContact O-N 3.39Å; Q235-N238 PolarHBondContact O-N 3.44Å; Q235-G239 PolarHBondContact O-N 2.94Å; Q235-G240 WeakPolarHBondContact O-CA 3.34Å; Q235-G240 PolarHBondContact O-N 2.95Å; Q235-I241 HydrophobicContact CB-CD1 4.19Å; Q235-I241 HydrophobicContact CB-CG1 3.77Å
236R86Confident85.1Confident171 Ų171102.6 Ų102.665%0.64555%0.546SS*.Hα-helixtrans-60-53.5173-72.9-179.4170175.3-5.7111.8L232 E233 N238 G239 I241L232-R236 WeakPolarHBondContact O-CG 3.48Å; L232-R236 PolarHBondContact O-N 3.17Å; E233-R236 PolarHBondContact O-N 2.91Å; R236-N238 PolarHBondContact O-N 2.89Å; R236-N238 VanDerWaalsContact O-N 3.13Å; R236-G239 PolarHBondContact O-N 3.02Å; R236-I241 HydrophobicContact CG-CD1 3.5Å; R236-I241 HydrophobicContact CG-CG1 4.18Å
237C85.6Confident84.1Confident114 Ų114104.6 Ų104.677%0.7755%0.547SS*.Hα-helixtrans-60.6-24.8179.7-64.30000113.7E233E233-C237 PolarHBondContact O-N 3.16Å; E233-C237 PolarHBondContact O-SG 3.2Å; E233-C237 VanDerWaalsContact O-SG 3.37Å
238N86.8Confident83.1Confident120 Ų120102.8 Ų102.864%0.64255%0.547SS*.THydrogen-bonded Turntrans-92.23.4178.4-74.213.7000113.9K234 Q235 R236 G240K234-N238 WeakPolarHBondContact O-CB 3.48Å; K234-N238 VanDerWaalsContact O-CG 3.24Å; K234-N238 PolarHBondContact O-N 3.09Å; K234-N238 PolarHBondContact O-OD1 3.28Å; Q235-N238 PolarHBondContact O-N 3.44Å; R236-N238 PolarHBondContact O-N 2.89Å; R236-N238 VanDerWaalsContact O-N 3.13Å; N238-G240 PolarHBondContact O-N 3.12Å
239G81.2Confident82.3Confident70 Ų70102 Ų10272%0.72254%0.544SS*.THydrogen-bonded Turntrans63.524.1-173.800000113.7Q235 R236Q235-G239 PolarHBondContact O-N 2.94Å; R236-G239 PolarHBondContact O-N 3.02Å
240G79.2Confident81.5Confident53 Ų53106 Ų10655%0.54656%0.555SS.*  trans-98.815.3-174.400000114.6Q235 N238Q235-G240 WeakPolarHBondContact O-CA 3.34Å; Q235-G240 PolarHBondContact O-N 2.95Å; N238-G240 PolarHBondContact O-N 3.12Å
241I82.9Confident80.4Confident69 Ų69106.5 Ų106.535%0.35456%0.557SS.*SBendtrans-110.1129.3169-60.2-160.7000107.6L232 Q235 R236 D243L232-I241 HydrophobicContact CD1-CD1 3.47Å; L232-I241 VanDerWaalsContact CD1-CD1 3.47Å; L232-I241 HydrophobicContact CG-CD1 3.99Å; Q235-I241 HydrophobicContact CB-CD1 4.19Å; Q235-I241 HydrophobicContact CB-CG1 3.77Å; R236-I241 HydrophobicContact CG-CD1 3.5Å; R236-I241 HydrophobicContact CG-CG1 4.18Å; I241-D243 PolarHBondContact O-N 3.46Å
242I75.6Confident79.5Confident124 Ų124106.8 Ų106.864%0.63656%0.559SS**  trans-76.6115.2170.5-65.1166.5000107.3E247I242-E247 HydrophobicContact CG2-CB 4.21Å; I242-E247 WeakPolarHBondContact CG2-OE2 3.31Å
243D77Confident78.7Confident75 Ų75110.2 Ų110.240%0.40158%0.576SS.*  trans-86.2123.6160.9-166.5-61.7000108.4I241 E245 E246 E247I241-D243 PolarHBondContact O-N 3.46Å; D243-E245 VanDerWaalsContact C-N 3.25Å; D243-E245 PolarHBondContact O-N 3.4Å; D243-E245 WeakPolarHBondContact OD1-CB 3.32Å; D243-E245 PolarHBondContact OD1-N 2.97Å; D243-E246 HydrophobicContact CB-CB 4.1Å; D243-E246 HydrophobicContact CB-CG 4.09Å; D243-E246 PolarHBondContact O-N 3.09Å; D243-E246 PolarHBondContact OD1-N 3.33Å; D243-E247 WeakPolarHBondContact O-CB 3.41Å; D243-E247 PolarHBondContact O-N 3.48Å
244P75.1Confident77.4Confident96 Ų96113.6 Ų113.662%0.62359%0.592SS**Hα-helixtrans-68.2-24.1-177.629.1-35.4000113S248P244-S248 WeakPolarHBondContact O-CB 3.39Å; P244-S248 PolarHBondContact O-N 3.46Å; P244-S248 PolarHBondContact O-OG 2.73Å
245E74.6Confident76.6Confident142 Ų142114.3 Ų114.366%0.66460%0.6SS**Hα-helixtrans-78.8-42.5175.8-62.3-172.4-173.800110.1D243 S248 N249D243-E245 VanDerWaalsContact C-N 3.25Å; D243-E245 PolarHBondContact O-N 3.4Å; D243-E245 WeakPolarHBondContact OD1-CB 3.32Å; D243-E245 PolarHBondContact OD1-N 2.97Å; E245-S248 PolarHBondContact O-OG 3.06Å; E245-S248 VanDerWaalsContact O-OG 3.09Å; E245-N249 VanDerWaalsContact O-CB 3.29Å; E245-N249 WeakPolarHBondContact O-CB 3.44Å; E245-N249 VanDerWaalsContact O-CG 3.28Å; E245-N249 PolarHBondContact O-N 2.77Å; E245-N249 PolarHBondContact O-ND2 3.05Å
246E73Confident75.2Confident150 Ų150119.1 Ų119.170%0.70162%0.623SS**Hα-helixtrans-64.9-43.6173.2-66.3-163.514300112.4D243 S248 N249 R250D243-E246 HydrophobicContact CB-CB 4.1Å; D243-E246 HydrophobicContact CB-CG 4.09Å; D243-E246 PolarHBondContact O-N 3.09Å; D243-E246 PolarHBondContact OD1-N 3.33Å; E246-S248 PolarHBondContact O-N 3.16Å; E246-N249 CarbonylContact O-C 3.59Å; E246-N249 PolarHBondContact O-N 2.97Å; E246-R250 WeakPolarHBondContact O-CB 3.33Å; E246-R250 PolarHBondContact O-N 2.9Å
247E72.9Confident73.6Confident73 Ų73119.7 Ų119.734%0.34163%0.633SS.*Hα-helixtrans-75.3-23.3-176.7-169.8136.2-107.500113.4I242 D243 R250I242-E247 HydrophobicContact CG2-CB 4.21Å; I242-E247 WeakPolarHBondContact CG2-OE2 3.31Å; D243-E247 WeakPolarHBondContact O-CB 3.41Å; D243-E247 PolarHBondContact O-N 3.48Å; E247-R250 WeakPolarHBondContact O-CB 3.42Å; E247-R250 IonicContact OE1-CZ 3.24Å; E247-R250 IonicContact OE1-NH1 2.82Å; E247-R250 PolarHBondContact OE1-NH1 3.35Å
248S71.4Confident71.9Confident77 Ų77118.6 Ų118.654%0.53863%0.632SS.*Hα-helixtrans-74.7-41.7166.8550000111.9P244 E245 E246 R250P244-S248 WeakPolarHBondContact O-CB 3.39Å; P244-S248 PolarHBondContact O-N 3.46Å; P244-S248 PolarHBondContact O-OG 2.73Å; E245-S248 PolarHBondContact O-OG 3.06Å; E245-S248 VanDerWaalsContact O-OG 3.09Å; E246-S248 PolarHBondContact O-N 3.16Å; S248-R250 VanDerWaalsContact C-N 3.29Å; S248-R250 PolarHBondContact O-N 2.88Å
249N74.4Confident70.2Confident91 Ų91118.2 Ų118.249%0.48764%0.636SS.*Hα-helixtrans-70.5-21.3176.3-72.4-47.3000113.7E245 E246 F251 L252E245-N249 VanDerWaalsContact O-CB 3.29Å; E245-N249 WeakPolarHBondContact O-CB 3.44Å; E245-N249 VanDerWaalsContact O-CG 3.28Å; E245-N249 PolarHBondContact O-N 2.77Å; E245-N249 PolarHBondContact O-ND2 3.05Å; E246-N249 CarbonylContact O-C 3.59Å; E246-N249 PolarHBondContact O-N 2.97Å; N249-F251 PolarHBondContact O-N 3.24Å; N249-L252 WeakPolarHBondContact O-CB 3.35Å; N249-L252 PolarHBondContact O-N 3.41Å
250R74.7Confident68.5Low173 Ų173120.9 Ų120.965%0.65364%0.641SS**THydrogen-bonded Turntrans-53.1-26.7179-175.9177.2-171.9160.712.1115E246 E247 S248E246-R250 WeakPolarHBondContact O-CB 3.33Å; E246-R250 PolarHBondContact O-N 2.9Å; E247-R250 WeakPolarHBondContact O-CB 3.42Å; E247-R250 IonicContact OE1-CZ 3.24Å; E247-R250 IonicContact OE1-NH1 2.82Å; E247-R250 PolarHBondContact OE1-NH1 3.35Å; S248-R250 VanDerWaalsContact C-N 3.29Å; S248-R250 PolarHBondContact O-N 2.88Å
251F70.5Confident66.9Low158 Ų158124.8 Ų124.869%0.69365%0.654SS**THydrogen-bonded Turntrans-110.28.9179.8-58.1-79.3000112.9N249 I253N249-F251 PolarHBondContact O-N 3.24Å; F251-I253 PolarHBondContact O-N 3.49Å
252L72.7Confident65Low98 Ų98126.1 Ų126.151%0.51368%0.675SS.*  trans-81.296-178.9-153.181.8000110.3N249 H254N249-L252 WeakPolarHBondContact O-CB 3.35Å; N249-L252 PolarHBondContact O-N 3.41Å; L252-H254 PolarHBondContact O-N 3.48Å
253I71.4Confident63.2Low144 Ų144128.2 Ų128.274%0.73868%0.682SS**  trans-80.9104.2178.9-56.2177.1000109.3F251 I255F251-I253 PolarHBondContact O-N 3.49Å; I253-I255 HydrophobicContact CG2-CG1 3.99Å; I253-I255 PolarHBondContact O-N 3.05Å
254H62.6Low61.2Low156 Ų156131.2 Ų131.272%0.72270%0.699SS**  trans-72110.2167.4-70.2-85.2000109.9L252 Q256L252-H254 PolarHBondContact O-N 3.48Å; H254-Q256 VanDerWaalsContact C-N 3.33Å
255I72.4Confident59.1Low155 Ų155134.9 Ų134.980%0.79571%0.711SS**  trans-87.3-4.5-178.2-61.7171.1000111.8I253I253-I255 HydrophobicContact CG2-CG1 3.99Å; I253-I255 PolarHBondContact O-N 3.05Å
256Q59.5Low57.1Low192 Ų192134.8 Ų134.890%0.89772%0.715SS**  trans-115.572-175.9-69.4-174.6-14.100112.5H254H254-Q256 VanDerWaalsContact C-N 3.33Å
257E52Low55.6Low183 Ų183132.4 Ų132.486%0.85571%0.712SS**  trans-130.896.1157.6-149.2170.5-143.600108.3
258A50.6Low53.4Low91 Ų91137.1 Ų137.175%0.75274%0.735SS**PPolyproline II helixtrans-77.3130.9174.100000108.6
259P51.2Low51.6Low113 Ų113140.5 Ų140.573%0.73475%0.752SS**PPolyproline II helixtrans-63.4141.4-178.426.3-34.3000110.6V261P259-V261 PolarHBondContact O-N 2.94Å
260P44.6Very low49.4Very low125 Ų125145.2 Ų145.281%0.81277%0.771SS**PPolyproline II helixtrans-63.8131.1-179.326.2-34000110.6A262P260-A262 PolarHBondContact O-N 3.26Å
261V45.8Very low47.1Very low135 Ų135142 Ų14282%0.81878%0.781SS**  trans-69.1111.3174.8178.40000108.6P259P259-V261 PolarHBondContact O-N 2.94Å
262A42.4Very low45.1Very low98 Ų98140 Ų14081%0.8179%0.787SS**  trans-78.9118.3168.500000109.2P260P260-A262 PolarHBondContact O-N 3.26Å
263E38.7Very low43.7Very low167 Ų167141.1 Ų141.178%0.7880%0.8SS**  trans-77.1145.9-179.6-65.9-167.4134.200113
264N35Very low41.5Very low139 Ų139138.4 Ų138.474%0.74380%0.799SS**  trans50.6115.2151.2-65.1-48000119.8
265I31.2Very low40.6Very low172 Ų172136.1 Ų136.188%0.88280%0.798SS**  -152137.2112.4-96.5147.4000108.1
266N32.8Very low38.6Very low140 Ų140135.9 Ų135.975%0.74980%0.798SS**  trans-114.4152171.8-161.614.1000107.5E268N266-E268 PolarHBondContact OD1-N 3.02Å
267P40.3Very low37.1Very low100 Ų100132.4 Ų132.465%0.64979%0.79SS**  -146.7150.596.437.6-21.8000116.5
268E28.1Very low35.9Very low173 Ų173128.6 Ų128.681%0.80878%0.783SS**  trans41122.4139.8-59179.511300121.5N266N266-E268 PolarHBondContact OD1-N 3.02Å
269V32.6Very low35Very low148 Ų148130 Ų13090%0.89779%0.787SS**  -156.4153.4118135.60000109.2
270E27.3Very low33.9Very low189 Ų189129.4 Ų129.488%0.88379%0.786SS**  trans-71.4144.6-174.2-56.3176.497.900114.8
271A27.3Very low33.3Very low106 Ų106127.7 Ų127.788%0.87678%0.777SS**  -173.1146.4122.200000111.9
272S29.5Very low32.6Very low117 Ų117128.3 Ų128.382%0.81878%0.776SS**  trans-123.9168.2172.3-137.50000108.5
273P43.1Very low32.1Very low120 Ų120131.9 Ų131.978%0.77978%0.775SS**  cis-131.9-172.34.140-21.2000115
274A24.6Very low31.7Very low87 Ų87128.2 Ų128.272%0.71977%0.774SS**  trans-79.2-160.5173.100000111
275P43.3Very low31.4Very low109 Ų109125.3 Ų125.371%0.70878%0.776SS**  cis-157.7-168.526.847.4-24.4000120
276L29.9Very low31.3Very low150 Ų150123.2 Ų123.279%0.78577%0.771SS**  trans96.2130.8138.9-83.8175.8000123
277V29.3Very low31.2Very low119 Ų119127.6 Ų127.672%0.72178%0.778SS**  trans44.5133.8159.2-65.10000120.9
278S27Very low30.7Very low103 Ų103127.6 Ų127.672%0.7278%0.78SS**  cis88.112330.6-57.20000116
279S29.8Very low30.8Very low120 Ų120128.1 Ų128.184%0.83978%0.782SS**  trans70.9151.2148.8-630000117.9
280S29.6Very low30.7Very low100 Ų100132 Ų13270%0.69978%0.781SS**  cis-163.8-176.3-1.944.10000111.7
281S31.3Very low30.6Very low89 Ų89132.6 Ų132.662%0.62278%0.781SS**  trans85.2123.2140.529.20000122
282D30.9Very low30.6Very low149 Ų149133.6 Ų133.680%0.79778%0.776SS**  93.497127.9-56.8-1.4000123
283E31.3Very low31.6Very low172 Ų172133.6 Ų133.680%0.80477%0.773SS**  63.8118.7115.9-71.5-64.890.800124.1
284A31.4Very low30.8Very low90 Ų90131.1 Ų131.174%0.74477%0.769SS**  48.1116.8128.900000122.1
285G27.8Very low31.1Very low78 Ų78133.5 Ų133.580%0.80477%0.769SS**  trans-153.4139.2160.800000111.8
286V29.9Very low30.3Very low128 Ų128136.8 Ų136.878%0.77677%0.772SS**  trans-127124.1-163169.40000113.9
287R31.7Very low30.3Very low233 Ų233139 Ų13988%0.87978%0.779SS**  trans61.4167.4163.9-79.5177.7169.9175.3-2.4115.1
288S28.3Very low30.3Very low100 Ų100141 Ų14170%0.69979%0.785SS**  cis-154.9159.9-0-134.30000109.1
289E29.7Very low30.7Very low183 Ų183142.3 Ų142.386%0.85579%0.791SS**  -169.8165.6122.7-111.9179.7-168.500113.9
290R30.9Very low30.5Very low229 Ų229139.7 Ų139.786%0.86478%0.782SS**  trans-143134.5175-74.6174.4166.3177.4-5.3108.1
291F25Very low30.4Very low202 Ų202144.7 Ų144.789%0.88679%0.792SS**  trans-156.2147.4149.9-103.6-68.5000113.2
292V29Very low30.4Very low127 Ų127149.8 Ų149.877%0.7781%0.806SS**  trans-166159.5-166.8176.50000106
293P49.7Very low30.3Very low118 Ų118147.1 Ų147.177%0.76680%0.804SS**  cis-127.2-173.8-1027.6-4.3000115.5
294G26.7Very low30.3Very low67 Ų67147.7 Ų147.769%0.69181%0.807SS**  trans177.194.7159.800000112.3
295L31.3Very low30.3Very low137 Ų137154.9 Ų154.972%0.71782%0.815SS**  55.7131.788.6-54.1-166.7000114.5
296F26.1Very low30.5Very low178 Ų178159.9 Ų159.978%0.78182%0.817SS**  cis-166.9149.3-4.3-103.5-48.3000108.8
297Q28.8Very low30.8Very low196 Ų196161.5 Ų161.592%0.91682%0.816SS**  trans177.9147.7135.1-100.6165.853.900114.3
298L29.6Very low30.7Very low163 Ų163158.3 Ų158.385%0.85382%0.817SS**  trans-155144.9175.2-97.2171.3000107.7
299P34.9Very low31.1Very low130 Ų130161.7 Ų161.784%0.84482%0.821SS**  -145.6174.986.735-15.5000114.1
300G26Very low31.2Very low64 Ų64158.2 Ų158.266%0.6682%0.824SS**  cis-167.8-166.9600000114.8
301F27.9Very low31.4Very low206 Ų206158.6 Ų158.690%0.90483%0.825SS**  trans-72.9162.7-164.6-58.2-87.8000115.1
302Q30.4Very low31.9Very low196 Ų196152.2 Ų152.292%0.91682%0.816SS**  cis-149.7173.448.4-74.1-173.4-1.400116.1
303A29.7Very low32.7Very low92 Ų92152.3 Ų152.376%0.7682%0.82SS**  trans-92.4162.9-164.100000115.8
304Q32.3Very low31.9Very low185 Ų185158.7 Ų158.786%0.86483%0.829SS**  -160.9121.5125.1-110173.224.100115.5H306Q304-H306 PolarHBondContact O-N 2.93Å
305R30.5Very low32.3Very low241 Ų241167.8 Ų167.891%0.90984%0.842SS**  trans12.597.7143.8-157.1-178.8-155.6178.25.8118.1
306H32.4Very low32.4Very low182 Ų182165.3 Ų165.384%0.84385%0.85SS**  trans-85141.5165.8-106.2-110.1000112.7Q304Q304-H306 PolarHBondContact O-N 2.93Å
307Q35.3Very low32.6Very low163 Ų163160.5 Ų160.576%0.76285%0.851SS**  trans-99.3138.7172-63.4174.8-7.300109.9
308N30.8Very low32.8Very low166 Ų166163.1 Ų163.189%0.88885%0.852SS**  trans-108100.9167.5-80.6-13.6000110.1
309Q35.2Very low33.2Very low170 Ų170161.1 Ų161.179%0.79485%0.849SS**  trans-113.9108157.9-72.5-171.22.800108.2
310A32.1Very low33.3Very low110 Ų110163.2 Ų163.291%0.90985%0.845SS**PPolyproline II helixtrans-75.9126176.800000110.5
311R35.6Very low33.6Very low237 Ų237165.6 Ų165.689%0.89485%0.849SS**PPolyproline II helixtrans-102.9131.2170-76.6-175171.7-167.1-1.8110.2
312G35.4Very low33.9Very low68 Ų68163.5 Ų163.570%0.70184%0.841SS**PPolyproline II helixtrans-69.2158166.100000112.6
313P44.9Very low34.5Very low130 Ų130160.1 Ų160.184%0.84484%0.837SS**PPolyproline II helixtrans-83.3146.5-173.133-35.5000113.5
314R33.4Very low34.4Very low252 Ų252159.3 Ų159.395%0.95184%0.837SS**  trans-137.4136155.3-72.1-166.8177.5-156-0.1109.8
315R35.9Very low34.3Very low257 Ų257160 Ų16097%0.9784%0.84SS**  trans-110.1155.8167.4-83.6-173.6170.7-166.5-0.9109.4
316G32.2Very low34.1Very low86 Ų86152.2 Ų152.289%0.88783%0.834SS**  trans112.4121.8173.900000112.8
317G31.1Very low34.4Very low77 Ų77149.7 Ų149.779%0.79483%0.834SS**  trans-172.2160.4178.500000112.9
318R33Very low34.6Very low250 Ų250147.8 Ų147.894%0.94384%0.836SS**  trans-151.9171.6168.6-112.4-156.4159.3-170.8-4.6109.3
319P37Very low34.7Very low122 Ų122148 Ų14879%0.79284%0.836SS**  -107.6177.2-128.139.8-32.8000115.4
320K37.4Very low34.5Very low173 Ų173143.8 Ų143.875%0.75283%0.83SS**  trans-115.6132.3-169.3-179.7-170.2178.9-170.80111.2
321P32.8Very low34.4Very low115 Ų115147.2 Ų147.275%0.74783%0.827SS**  trans-79.3160.9166.4-12.829.7000113
322H33.7Very low34.2Very low162 Ų162144.2 Ų144.275%0.7582%0.823SS**  trans-108.5167.5177.3-95.3-108.2000112.2
323P43.4Very low34Very low125 Ų125149.4 Ų149.481%0.81283%0.833SS**  trans-101.6167.6-15438.8-37.3000116.6
324G27.9Very low33.2Very low74 Ų74151.2 Ų151.276%0.76383%0.83SS**  trans-166.7106.5170.400000116.6
325Q29.5Very low33.2Very low200 Ų200150.2 Ų150.294%0.93583%0.827SS**  trans40.9101.4148.6-66.4177.2-38.200123.9
326G26.3Very low32.8Very low77 Ų77146.2 Ų146.279%0.79482%0.824SS**  64.7178.2127.400000121.8
327P38.7Very low32.6Very low129 Ų129146.5 Ų146.584%0.83882%0.818SS**  cis-114.1179.9-12.241.5-28.9000113
328P39.8Very low32.5Very low123 Ų123150.3 Ų150.380%0.79982%0.819SS**  trans-97.5166.7-173.738.1-35000115.1
329I32.2Very low32.2Very low172 Ų172144.1 Ų144.188%0.88281%0.814SS**  trans-127.3139.3165.4-63.2176.7000108.4
330A31.2Very low31.8Very low81 Ų81144.4 Ų144.467%0.66981%0.809SS**  trans-121.7-172.9176.800000110.6
331E30.4Very low31.2Very low182 Ų182141.5 Ų141.585%0.8581%0.809SS**  trans63.8102.4162.1-62.4176.8168.100118.2
332H31.1Very low31Very low174 Ų174142.2 Ų142.281%0.80681%0.812SS**  -156.289.3123.8-121.5-60.2000109.9
333L31.3Very low30.7Very low176 Ų176140.6 Ų140.692%0.92181%0.809SS**  trans-124.846.8174.2-140.8179.7000110.5
334E29.8Very low30.1Very low168 Ų168143.4 Ų143.479%0.78581%0.811SS**  trans-147.6102.2-179.7-133.1-179.5-123.200110.3
335R31.4Very low30.1Very low231 Ų231144.5 Ų144.587%0.87281%0.807SS**  trans-172.6140.9154.4-113.1166.9-179.4170.31.4112
336L29.2Very low30.2Very low173 Ų173143.3 Ų143.391%0.90680%0.801SS**  trans69.372.6171.6-50.9-177.8000116
337A27.9Very low30.3Very low92 Ų92145.7 Ų145.776%0.7680%0.801SS**  trans-86.3150.2149.400000110.3
338L28.5Very low29.9Very low157 Ų157147 Ų14782%0.82280%0.799SS**  trans59.9125.9162.5-58.5174.8000120.1
339S27.4Very low29.4Very low121 Ų121148.5 Ų148.585%0.84680%0.8SS**  trans-150121.2133.4-174.80000108.1
340D27.3Very low29.1Very low127 Ų127143.6 Ų143.668%0.67979%0.791SS**  trans-76.6161.6169.1-64-68.6000111.3
341C24.9Very low29.1Very low113 Ų113146.3 Ų146.376%0.76480%0.799SS**  166.7151.4112.5-93.30000115
342T29.3Very low29.1Very low129 Ų129143.2 Ų143.279%0.79180%0.798SS**  trans57.593.2153.351.20000120
343D27.7Very low28.8Very low129 Ų129138.7 Ų138.769%0.6980%0.798SS**  24.4127.8110.8-177.625.9000119S345D343-S345 PolarHBondContact OD1-N 3.06Å
344Q29.8Very low28.8Very low183 Ų183142.6 Ų142.686%0.85580%0.8SS**  trans-151.9116.2137.8-134.6161.7106.900112.1
345S28.4Very low28.7Very low97 Ų97142.7 Ų142.768%0.67880%0.801SS**  trans-83.2140.7174.9-62.50000112.1D343D343-S345 PolarHBondContact OD1-N 3.06Å
346Q32.1Very low28.6Very low175 Ų175138.3 Ų138.382%0.81879%0.792SS**  trans-135.8120.6160.2-74-160.52.200112.3
347T27.7Very low28.6Very low127 Ų127140.8 Ų140.878%0.77979%0.789SS**  trans-98137.3177-50.30000109.6
348I31Very low28.4Very low157 Ų157142.4 Ų142.481%0.80579%0.794SS**  trans-128.3124165.3-69.7-174.8000110.1
349L30Very low28.3Very low155 Ų155146.8 Ų146.881%0.81280%0.799SS**  trans-77.6148.4166.9-61.1150.4000108
350G25.4Very low28.3Very low69 Ų69148.1 Ų148.171%0.71180%0.802SS**  cis111.991.122.900000109.1
351V30.1Very low28.3Very low138 Ų138145 Ų14584%0.83680%0.801SS**  trans-134.3120.7180-179.50000111.8
352S30.6Very low28.4Very low116 Ų116145.9 Ų145.981%0.81181%0.808SS**  trans-0.3129.3157.9-49.90000120
353G26.1Very low28.2Very low79 Ų79142.9 Ų142.981%0.81480%0.802SS**  trans-81.5178.9167.200000114.6
354R30.8Very low28.3Very low258 Ų258146.1 Ų146.197%0.97481%0.813SS**  trans-139.6143.5167.1-107.4-176.2175-161.7-1.5110.8
355Q28.2Very low28.3Very low170 Ų170144.8 Ų144.879%0.79481%0.807SS**  trans-120.2133.7-178175-166.384.200108.2
356M28.4Very low28.8Very low140 Ų140146 Ų14669%0.6981%0.813SS**  trans168.8141.9139.7-95.7-70.8169.700114.5
357R28.3Very low28.7Very low225 Ų225143.6 Ų143.685%0.84980%0.802SS**  trans66.7110.5146.4-77.9164.7-175.2-132.5-6.6121.3
358C24.3Very low28.7Very low125 Ų125145 Ų14585%0.84580%0.797SS**  trans-56.8154.2146.8-310000112.1
359R27.1Very low28.5Very low250 Ų250149.4 Ų149.494%0.94380%0.803SS**  trans-150.3158.1149-126179.7-177.9-169.2-2.2111
360T27.1Very low28.6Very low148 Ų148148.3 Ų148.391%0.90880%0.803SS**  trans-102.3153.5-168.447.30000113.2
361G26.2Very low29.5Very low63 Ų63150.4 Ų150.465%0.64980%0.804SS**  trans144.4115.9168.100000109.7
362S28.6Very low30.3Very low130 Ų130148.7 Ų148.791%0.90980%0.796SS**  cis78.8114.44977.70000113.5
363G25.6Very low30.3Very low66 Ų66148.4 Ų148.468%0.6879%0.789SS**  trans133.6105.4163.300000116.1
364E28.8Very low30.3Very low197 Ų197151.1 Ų151.192%0.92179%0.785SS**  64.7110.6128.9-62.2172.713300121.6
365E29.1Very low30.4Very low155 Ų155146.6 Ų146.672%0.72478%0.779SS**  trans-37.3151.1141.5-94.7-74.3132.400113.9E367E365-E367 PolarHBondContact OE2-N 2.75Å
366P39.5Very low30.4Very low122 Ų122145.2 Ų145.279%0.79278%0.778SS**  -149.7133.89336.7-18.5000118.5
367E29.1Very low30.4Very low126 Ų126147.5 Ų147.559%0.58978%0.784SS**  trans12.1135.5136.3-72.6-141.3111.400121.7E365E365-E367 PolarHBondContact OE2-N 2.75Å
368K29.1Very low30.4Very low157 Ų157144.3 Ų144.368%0.68378%0.779SS**  trans60.5116.5140.4-66.3167.8178.1141.40119.7
369R27.4Very low30.5Very low248 Ų248141.6 Ų141.694%0.93677%0.771SS**  -173.6121.3108-95.3150.3-164-1094.8114.3
370V30.2Very low31.5Very low133 Ų133135 Ų13581%0.80676%0.761SS**  trans-97.6167.5150.6178.80000105.2
371P45.8Very low31.7Very low113 Ų113137.3 Ų137.373%0.73476%0.759SS**  cis-126-151.18.27.623.2000112.8
372P47.2Very low31.8Very low102 Ų102142 Ų14266%0.66277%0.769SS**  cis-137.8175-17.522.32.9000117.4
373T29.1Very low31.7Very low109 Ų109139.5 Ų139.567%0.66976%0.763SS**  trans60.5127.1138.855.20000124.9
374D26.7Very low31.9Very low136 Ų136140.6 Ų140.673%0.72777%0.766SS**  61.6121.2125.4-44.3-12.8000121.9
375L31.8Very low32Very low163 Ų163143.3 Ų143.385%0.85377%0.768SS**  -172163.588.6-94.8173.4000112.5
376D28.5Very low32Very low142 Ų142139.7 Ų139.776%0.75977%0.773SS**  trans-73.2155.9-176.7-46.5-102.2000115
377F28.6Very low31.6Very low188 Ų188142.9 Ų142.983%0.82578%0.776SS**  -155.3169.8125.6-141.7-104.7000114.6
378E28.4Very low31.7Very low158 Ų158148.7 Ų148.774%0.73879%0.793SS**  trans-74.7168.3-165.5-54.9-177.3102.100116.7
379G27.1Very low31.8Very low67 Ų67144.6 Ų144.669%0.69180%0.795SS**  trans-79.4-141.7153.100000111.4
380P47Very low32Very low113 Ų113144.3 Ų144.373%0.73479%0.794SS**  cis-127.3-174.1-6.441.8-27.3000112.8
381K31.7Very low32Very low196 Ų196149.6 Ų149.685%0.85280%0.8SS**  -178.7156.9127.1-98.8153.4-170.6167.90115.9
382D28.2Very low31.4Very low162 Ų162156.1 Ų156.187%0.86681%0.81SS**  trans-73.3162.6-171.5-46.6-96.8000115.4
383G27.3Very low30.6Very low76 Ų76154.3 Ų154.378%0.78481%0.81SS**  trans-164.717.8-174.300000122.3
384A28.9Very low30.8Very low90 Ų90155.7 Ų155.774%0.74482%0.82SS**  trans51.8124.7158.100000123.6
385R30.8Very low31Very low253 Ų253160.2 Ų160.296%0.95583%0.829SS**  trans58.2124.3136.2-60.5178.2179-168.50.3122
386G29.4Very low30.9Very low80 Ų80163.4 Ų163.483%0.82583%0.83SS**  trans175.5127.3152.700000115.5
387H31.1Very low31.1Very low189 Ų189162.3 Ų162.388%0.87583%0.831SS**  trans-114140.9175.5-69.1-81.6000112.4
388R32.3Very low31.3Very low248 Ų248159.4 Ų159.494%0.93683%0.828SS**  154.2153.5123.8-83.8170.8-175.7-150.92.3113.5
389G30.6Very low31.8Very low71 Ų71157.6 Ų157.673%0.73283%0.83SS**  trans100.494.5167.300000114.2
390R31.6Very low31.9Very low242 Ų242162.9 Ų162.991%0.91384%0.837SS**  70.4101.172.7-72.4-165.8172.3-139.80.1115.9
391R30.8Very low31.1Very low243 Ų243166.7 Ų166.792%0.91784%0.844SS**  trans28.8135.5137.4-52.8-177.8-176.6-139.83.3117.6
392R32.5Very low31Very low250 Ų250165 Ų16594%0.94384%0.843SS**  -152.116455-69.7174.8179.9-161.5-1.5111.9
393G29.4Very low31Very low65 Ų65161 Ų16167%0.6784%0.839SS**PPolyproline II helixtrans-100.5170.7174.500000114
394P35.1Very low31.3Very low137 Ų137161.8 Ų161.889%0.8984%0.839SS**PPolyproline II helixtrans-79172.8-178.533.3-36000114
395Y29.5Very low31.9Very low232 Ų232163.6 Ų163.691%0.9184%0.843SS**PPolyproline II helixtrans-81.7161.6-169.3-89-122.8000114.6
396R30.6Very low31.7Very low229 Ų229154.9 Ų154.986%0.86483%0.831SS**  trans-115.6125.2165.5-160.5-171.1-153.3-165.26.4108.2
397P31.3Very low32.8Very low120 Ų120157.1 Ų157.178%0.77983%0.831SS**  trans-87.4143.6176.433.4-32.7000111.8
398T32.8Very low33.3Very low127 Ų127153.5 Ų153.578%0.77983%0.825SS**  trans-149.1152.9162.822.70000108.7
399P39.6Very low33.3Very low119 Ų119150 Ų15077%0.77382%0.819SS**  trans-90.4162.8-154.335.1-37.8000115
400H29.1Very low33.3Very low179 Ų179156.3 Ų156.383%0.82983%0.83SS**  trans-120.5128.2165.5-79.6-79.5000110.8
401H31Very low33.1Very low193 Ų193152 Ų15289%0.89482%0.819SS**  trans-70.2144.6156.8-72.5-94.1000109.5
402I30Very low32.9Very low160 Ų160152 Ų15282%0.82182%0.819SS**  trans-129.8127.2163.4-63-179.9000108.2
403G26.7Very low32.8Very low77 Ų77146 Ų14679%0.79481%0.806SS**  trans-121.3148.6163.300000109.1
404A33.9Very low32.8Very low93 Ų93148.7 Ų148.777%0.76982%0.815SS**  trans-140.2166.4-171.800000109.4
405P40.9Very low32.5Very low129 Ų129151.5 Ų151.584%0.83882%0.815SS**  trans-112.3166.5-131.814.38000116.4
406G28Very low32.4Very low69 Ų69145.1 Ų145.171%0.71181%0.811SS**  trans-97.9-148.4165.500000112.7
407P52.7Low32.5Very low127 Ų127145.8 Ų145.883%0.82581%0.813SS**  cis-106.7-114.44.335.6-16.8000111.1
408P41.6Very low32.4Very low113 Ų113145.5 Ų145.573%0.73481%0.814SS**  cis-122125.20.937.7-19.1000116.9
409Q32.2Very low32.3Very low175 Ų175151.2 Ų151.282%0.81882%0.822SS**  trans36.4111.3132.8-169.4176.77.400121.2
410Q29.3Very low31.8Very low204 Ų204149.7 Ų149.795%0.95383%0.828SS**  trans-136.1157.7138.4-76.7-155.78.100111
411H28.6Very low31.7Very low151 Ų151145.1 Ų145.170%0.69983%0.829SS**  trans-132.3128.2-163.3-178.3-72.2000110.7D413H411-D413 IonicContact CE1-OD2 2.68Å; H411-D413 PolarHBondContact CE1-OD2 2.53Å; H411-D413 IonicContact ND1-OD2 3.16Å
412R26.8Very low31.6Very low242 Ų242139.8 Ų139.891%0.91383%0.826SS**  trans-157110.6168.4-133.8175.6-171.9-1792.2114.8
413D30.3Very low31.7Very low124 Ų124135.7 Ų135.766%0.66382%0.823SS**  trans-66.8154.5160.1-50.3-93.6000111.3H411H411-D413 IonicContact CE1-OD2 2.68Å; H411-D413 PolarHBondContact CE1-OD2 2.53Å; H411-D413 IonicContact ND1-OD2 3.16Å
414S27.9Very low32.6Very low122 Ų122138.2 Ų138.285%0.85383%0.826SS**  trans-160.4114.8153.8-820000111.7
415H29.8Very low32.5Very low196 Ų196145.8 Ų145.891%0.90783%0.834SS**  trans-92.2127169-84.5-57.8000111.5
416A28.1Very low32.3Very low98 Ų98151.3 Ų151.381%0.8184%0.838SS**  trans-148.3135.7151.900000107.3
417R30.9Very low32.5Very low243 Ų243151.7 Ų151.792%0.91784%0.842SS**  cis71.670.815-66.5-163.1174.4-154.91.7117.6
418S31Very low31.6Very low115 Ų115153.9 Ų153.980%0.80484%0.841SS**  -143.8127.1129.4-144.90000107.3
419R30.4Very low31.4Very low247 Ų247160.3 Ų160.393%0.93285%0.853SS**  70.8118.950.1-83.6-167.5166.1-170.5-3.2114.2
420G28.1Very low31.4Very low87 Ų87155.2 Ų155.290%0.89785%0.847SS**  trans116.8111.3-17900000111.3
421G28.2Very low31.7Very low83 Ų83157.5 Ų157.586%0.85685%0.847SS**  cis142.6109.7-8.600000111.7
422G28.6Very low31.8Very low80 Ų80153.6 Ų153.683%0.82585%0.847SS**  trans170.188.3-178.600000113.6
423G31.2Very low32.2Very low74 Ų74149.6 Ų149.676%0.76384%0.843SS**  trans-77.9179.3168.600000113.3
424P45.8Very low32.4Very low131 Ų131152.2 Ų152.285%0.85185%0.851SS**  trans-101.9168.1-140.937.8-38.2000115.5
425R33.1Very low32.7Very low251 Ų251154.9 Ų154.995%0.94785%0.85SS**  trans-131.4139.3157.9-78.2-167.9169.1-121.1-3.1112.1
426R36.3Very low32.9Very low245 Ų245154.2 Ų154.293%0.92584%0.844SS**  trans-79.3154.8168.8-66.5175.9169.3-170.1-4.1110.3
427G32.1Very low33.2Very low77 Ų77156.2 Ų156.279%0.79485%0.846SS**  trans-170.5105.6164.900000111.6
428H34Very low33.5Very low173 Ų173149.9 Ų149.980%0.80183%0.834SS**  trans-90.3132.3172.6-74.6-100.1000110.5
429Y36.8Very low33.7Very low249 Ų249151 Ų15198%0.97683%0.827SS**  trans-165.4150.7138-75-60.5000107.5
430G31.2Very low33.9Very low68 Ų68149.6 Ų149.670%0.70182%0.822SS**  cis15639.1-4.700000116.7
431R35.8Very low34.2Very low252 Ų252149 Ų14995%0.95182%0.815SS**  trans-165.7145169.1-99.1164.9-158.9-105.54.2108.9
432G32.1Very low34.7Very low68 Ų68156.8 Ų156.870%0.70182%0.819SS**  cis12485.2-12.100000114.6
433L34.1Very low35.5Very low158 Ų158161.3 Ų161.383%0.82782%0.818SS**  trans-165.2125.4155.4-112158.6000110
434Q34.6Very low36Very low180 Ų180165.8 Ų165.884%0.84182%0.819SS**  trans-113.6140.3166.3-65.91770.200107.3
435H34.8Very low35.8Very low177 Ų177165.1 Ų165.182%0.81981%0.812SS**  trans-119.4128.9161.9-98.4-121.1000109.1
436K34.3Very low36.4Very low183 Ų183163.1 Ų163.180%0.79683%0.828SS**  trans-131.1125.4-176.1-175.8-175.6-176.2-175.60106.8
437V33.7Very low36.4Very low139 Ų139159.1 Ų159.184%0.84282%0.823SS**  trans-120.6113.1-177.8-178.50000109.9
438V37.6Very low36.6Very low111 Ų111163.4 Ų163.467%0.67382%0.824SS**  trans-151.4133.8173.9-176.50000101.9
439E34.9Very low36.8Very low139 Ų139162.8 Ų162.865%0.6583%0.826SS**  cis-164.317546.5-154.6178.4-105.800111.7
440R33.8Very low36.8Very low217 Ų217157.8 Ų157.882%0.81982%0.817SS**  trans76.6139.6160.5-60.6173.8-168.3-143.9-11117.9
441G34.5Very low37.1Very low73 Ų73163.4 Ų163.475%0.75382%0.824SS**  cis111112.6-2.500000113.6
442R40.3Very low37.2Very low248 Ų248157.5 Ų157.594%0.93682%0.816SS**  trans-163.8128.9170.1-124.7-178.4179.9175.6-1.7111.9
443E44.6Very low37.6Very low175 Ų175163.9 Ų163.982%0.81882%0.824SS**  trans-73.4179.9149.2-67.7153113.900107.9
444E41.1Very low37.9Very low168 Ų168164.3 Ų164.379%0.78582%0.824SS**  cis-170.417132.8-152.1-173-176.300109.6
445V42.7Very low38.1Very low116 Ų116163 Ų16370%0.70382%0.822SS**  trans52.8113.3161.6-169.60000119.3
446V45.5Very low38.4Very low210 Ų210161.7 Ų161.7100%1.27382%0.822SS**  -154.2097.7157.20000108.4

Retrieved 446 of 446 residues in 680.8 ms (Link to these results)

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