A0A3Q0KKE9_SCHMA Loading...

Glycerol-3-phosphate dehydrogenase

AlphaFold DB , UniProt , Accession A0A3Q0KKE9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 735 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
1M52.5Low54.5Low213 Ų213134.6 Ų134.6100%1.04965%0.65SS**  0-38.60-73.8-173.3-17200115.1A3 F4 R5M1-A3 PolarHBondContact O-N 3.04Å; M1-F4 PolarHBondContact O-N 3.23Å; M1-R5 PolarHBondContact O-N 3.21Å
2S65.6Low54.6Low83 Ų83132.3 Ų132.358%0.5865%0.65SS**Hα-helixtrans-58.1-42.7-179.71700000114.5F4 R5 R6S2-F4 PolarHBondContact O-N 3.44Å; S2-R5 PolarHBondContact O-N 2.82Å; S2-R6 PolarHBondContact O-N 3.36Å
3A55.4Low54Low67 Ų67130.5 Ų130.555%0.55464%0.644SS**Hα-helixtrans-62.4-42.4177.800000112.8M1 R5 R6 I7M1-A3 PolarHBondContact O-N 3.04Å; A3-R5 PolarHBondContact O-N 2.82Å; A3-R6 PolarHBondContact O-N 3.17Å; A3-I7 WeakPolarHBondContact O-CG1 3.21Å; A3-I7 PolarHBondContact O-N 2.9Å
4F50.8Low53.4Low171 Ų171128.5 Ų128.575%0.7564%0.635SS**Hα-helixtrans-64.5-39.8-180-126.9-91.2000112.6M1 S2 I7 S8M1-F4 PolarHBondContact O-N 3.23Å; S2-F4 PolarHBondContact O-N 3.44Å; F4-I7 PolarHBondContact O-N 3.18Å; F4-S8 PolarHBondContact O-N 3.3Å; F4-S8 PolarHBondContact O-OG 3.49Å
5R56Low52.6Low193 Ų193122.5 Ų122.573%0.72862%0.619SS**Hα-helixtrans-66.8-32.7174.4-89.2-176.4173174-1.4113.3M1 S2 A3 S8 K9M1-R5 PolarHBondContact O-N 3.21Å; S2-R5 PolarHBondContact O-N 2.82Å; A3-R5 PolarHBondContact O-N 2.82Å; R5-S8 PolarHBondContact O-OG 3.19Å; R5-K9 WeakPolarHBondContact O-CB 3.27Å; R5-K9 WeakPolarHBondContact O-CG 3.47Å; R5-K9 PolarHBondContact O-N 3.42Å
6R52.1Low52.3Low182 Ų182118.1 Ų118.169%0.68761%0.607SS**Hα-helixtrans-72.4-39.3174.7-76.7-175-176.7178.81.1111.7S2 A3 K10S2-R6 PolarHBondContact O-N 3.36Å; A3-R6 PolarHBondContact O-N 3.17Å; R6-K10 WeakPolarHBondContact O-CB 3.39Å; R6-K10 WeakPolarHBondContact O-CG 3.49Å; R6-K10 PolarHBondContact O-N 3.07Å
7I52.6Low52.4Low98 Ų98117.7 Ų117.750%0.50361%0.605SS.*Hα-helixtrans-67-44.2177.1-66.2166.1000110.6A3 F4 K10 L11A3-I7 WeakPolarHBondContact O-CG1 3.21Å; A3-I7 PolarHBondContact O-N 2.9Å; F4-I7 PolarHBondContact O-N 3.18Å; I7-K10 PolarHBondContact O-N 3.46Å; I7-L11 HydrophobicContact CG2-CD1 3.83Å; I7-L11 HydrophobicContact CG2-CG 4.43Å; I7-L11 WeakPolarHBondContact O-CG 3.36Å; I7-L11 PolarHBondContact O-N 3.33Å
8S53.1Low52.9Low54 Ų54115.1 Ų115.138%0.37860%0.599SS.*Hα-helixtrans-65.1-41.8178.6690000112.8F4 R5 K10 L11 V12F4-S8 PolarHBondContact O-N 3.3Å; F4-S8 PolarHBondContact O-OG 3.49Å; R5-S8 PolarHBondContact O-OG 3.19Å; S8-K10 VanDerWaalsContact C-N 3.35Å; S8-K10 PolarHBondContact O-N 2.9Å; S8-L11 PolarHBondContact O-N 3.04Å; S8-V12 WeakPolarHBondContact O-CG2 3.22Å; S8-V12 PolarHBondContact O-N 3.14Å
9K59.3Low53.4Low161 Ų161110.6 Ų110.670%0.758%0.584SS**Hα-helixtrans-62.1-40.8172.9-77.8-173.7176.6-171.40112.1R5 L13R5-K9 WeakPolarHBondContact O-CB 3.27Å; R5-K9 WeakPolarHBondContact O-CG 3.47Å; R5-K9 PolarHBondContact O-N 3.42Å; K9-L13 VanDerWaalsContact O-CB 3.24Å; K9-L13 WeakPolarHBondContact O-CB 3.39Å; K9-L13 PolarHBondContact O-N 3.45Å
10K51.3Low54.3Low146 Ų146109.5 Ų109.564%0.63558%0.582SS**Hα-helixtrans-63.9-42.7174-80.9-173.1175.7-172.10111.7R6 I7 S8 L13 I14R6-K10 WeakPolarHBondContact O-CB 3.39Å; R6-K10 WeakPolarHBondContact O-CG 3.49Å; R6-K10 PolarHBondContact O-N 3.07Å; I7-K10 PolarHBondContact O-N 3.46Å; S8-K10 VanDerWaalsContact C-N 3.35Å; S8-K10 PolarHBondContact O-N 2.9Å; K10-L13 PolarHBondContact O-N 3.19Å; K10-I14 HydrophobicContact CB-CD1 4.43Å; K10-I14 VanDerWaalsContact O-CB 3.22Å; K10-I14 WeakPolarHBondContact O-CB 3.47Å; K10-I14 WeakPolarHBondContact O-CD1 3.31Å; K10-I14 WeakPolarHBondContact O-CG1 3.47Å; K10-I14 PolarHBondContact O-N 3.49Å
11L50.9Low55.3Low113 Ų113106 Ų10659%0.59257%0.572SS**Hα-helixtrans-65.9-41.1178-78.1164.5000112.7I7 S8 G15I7-L11 HydrophobicContact CG2-CD1 3.83Å; I7-L11 HydrophobicContact CG2-CG 4.43Å; I7-L11 WeakPolarHBondContact O-CG 3.36Å; I7-L11 PolarHBondContact O-N 3.33Å; S8-L11 PolarHBondContact O-N 3.04Å; L11-G15 WeakPolarHBondContact O-CA 3.44Å; L11-G15 PolarHBondContact O-N 3.18Å
12V56.2Low56.3Low106 Ų10698.3 Ų98.364%0.64254%0.542SS*.Hα-helixtrans-67.3-41174.9173.10000110.9S8 G15 A16S8-V12 WeakPolarHBondContact O-CG2 3.22Å; S8-V12 PolarHBondContact O-N 3.14Å; V12-G15 PolarHBondContact O-N 2.67Å; V12-A16 WeakPolarHBondContact O-CB 3.3Å; V12-A16 PolarHBondContact O-N 3.07Å
13L45.9Very low56.8Low110 Ų11098.4 Ų98.458%0.57654%0.539SS*.Hα-helixtrans-68-42.3176.6-160.583.8000111.4K9 K10 A16 I17K9-L13 VanDerWaalsContact O-CB 3.24Å; K9-L13 WeakPolarHBondContact O-CB 3.39Å; K9-L13 PolarHBondContact O-N 3.45Å; K10-L13 PolarHBondContact O-N 3.19Å; L13-A16 PolarHBondContact O-N 3.26Å; L13-I17 HydrophobicContact CD2-CD1 4.09Å; L13-I17 HydrophobicContact CG-CD1 3.89Å; L13-I17 VanDerWaalsContact O-CB 3.29Å; L13-I17 WeakPolarHBondContact O-CB 3.43Å; L13-I17 WeakPolarHBondContact O-CD1 3.48Å; L13-I17 WeakPolarHBondContact O-CG1 3.3Å; L13-I17 PolarHBondContact O-N 3.46Å
14I46Very low57.8Low102 Ų10299.3 Ų99.352%0.52353%0.534SS..Hα-helixtrans-63.6-43.3174.6-70.5163.7000109.8K10 I17 S18K10-I14 HydrophobicContact CB-CD1 4.43Å; K10-I14 VanDerWaalsContact O-CB 3.22Å; K10-I14 WeakPolarHBondContact O-CB 3.47Å; K10-I14 WeakPolarHBondContact O-CD1 3.31Å; K10-I14 WeakPolarHBondContact O-CG1 3.47Å; K10-I14 PolarHBondContact O-N 3.49Å; I14-I17 PolarHBondContact O-N 3Å; I14-S18 WeakPolarHBondContact O-CB 3.27Å; I14-S18 PolarHBondContact O-N 2.79Å; I14-S18 PolarHBondContact O-OG 3.1Å
15G41.4Very low59.3Low38 Ų3895.4 Ų95.439%0.39252%0.52SS..Hα-helixtrans-64.9-36.3175.500000113.5L11 V12 S18 G19L11-G15 WeakPolarHBondContact O-CA 3.44Å; L11-G15 PolarHBondContact O-N 3.18Å; V12-G15 PolarHBondContact O-N 2.67Å; G15-S18 VanDerWaalsContact CA-OG 3.31Å; G15-S18 WeakPolarHBondContact CA-OG 3.37Å; G15-S18 PolarHBondContact O-OG 3.42Å; G15-S18 VanDerWaalsContact O-OG 3.11Å; G15-G19 WeakPolarHBondContact O-CA 3.42Å; G15-G19 PolarHBondContact O-N 3.43Å
16A48.2Very low60.4Low52 Ų5288.4 Ų88.443%0.4350%0.496SS..Hα-helixtrans-74-42.117500000111.5V12 L13 G19 V20V12-A16 WeakPolarHBondContact O-CB 3.3Å; V12-A16 PolarHBondContact O-N 3.07Å; L13-A16 PolarHBondContact O-N 3.26Å; A16-G19 PolarHBondContact O-N 2.89Å; A16-V20 VanDerWaalsContact O-CB 3.3Å; A16-V20 WeakPolarHBondContact O-CB 3.46Å; A16-V20 WeakPolarHBondContact O-CG2 3.28Å; A16-V20 PolarHBondContact O-N 3.32Å
17I53.3Low61.9Low112 Ų11281.9 Ų81.957%0.57447%0.474SS*.Hα-helixtrans-66.1-41.8175.3-69.4166000110.3L13 I14 G21L13-I17 HydrophobicContact CD2-CD1 4.09Å; L13-I17 HydrophobicContact CG-CD1 3.89Å; L13-I17 VanDerWaalsContact O-CB 3.29Å; L13-I17 WeakPolarHBondContact O-CB 3.43Å; L13-I17 WeakPolarHBondContact O-CD1 3.48Å; L13-I17 WeakPolarHBondContact O-CG1 3.3Å; L13-I17 PolarHBondContact O-N 3.46Å; I14-I17 PolarHBondContact O-N 3Å; I17-G21 PolarHBondContact O-N 3.34Å
18S61.3Low63.5Low70 Ų7080.6 Ų80.649%0.4947%0.47SS..Hα-helixtrans-70.1-38.3176.364.20000111.8I14 G15 G21 A22I14-S18 WeakPolarHBondContact O-CB 3.27Å; I14-S18 PolarHBondContact O-N 2.79Å; I14-S18 PolarHBondContact O-OG 3.1Å; G15-S18 VanDerWaalsContact CA-OG 3.31Å; G15-S18 WeakPolarHBondContact CA-OG 3.37Å; G15-S18 PolarHBondContact O-OG 3.42Å; G15-S18 VanDerWaalsContact O-OG 3.11Å; S18-G21 PolarHBondContact O-N 2.78Å; S18-A22 WeakPolarHBondContact O-CB 3.44Å; S18-A22 PolarHBondContact O-N 2.88Å
19G63.2Low65.1Low31 Ų3180.4 Ų80.432%0.3247%0.467SS..Hα-helixtrans-65.8-44.3174.500000113.2G15 A16 T23G15-G19 WeakPolarHBondContact O-CA 3.42Å; G15-G19 PolarHBondContact O-N 3.43Å; A16-G19 PolarHBondContact O-N 2.89Å; G19-T23 WeakPolarHBondContact O-CB 3.21Å; G19-T23 PolarHBondContact O-N 3.44Å; G19-T23 PolarHBondContact O-OG1 2.74Å
20V70.5Confident66.5Low88 Ų8872.7 Ų72.753%0.53343%0.433SS..Hα-helixtrans-65.9-45.2174171.20000110.3A16 A22 T23 I24A16-V20 VanDerWaalsContact O-CB 3.3Å; A16-V20 WeakPolarHBondContact O-CB 3.46Å; A16-V20 WeakPolarHBondContact O-CG2 3.28Å; A16-V20 PolarHBondContact O-N 3.32Å; V20-A22 PolarHBondContact O-N 3.4Å; V20-T23 PolarHBondContact O-N 2.85Å; V20-I24 HydrophobicContact CG1-CD1 3.67Å; V20-I24 HydrophobicContact CG1-CG1 4.29Å; V20-I24 WeakPolarHBondContact O-CB 3.41Å; V20-I24 VanDerWaalsContact O-CG1 3.28Å; V20-I24 WeakPolarHBondContact O-CG1 3.3Å; V20-I24 PolarHBondContact O-N 2.95Å
21G74.9Confident68.2Low36 Ų3672.9 Ų72.937%0.37143%0.43SS..Hα-helixtrans-59.1-45.5176.400000112.4I17 S18 L25I17-G21 PolarHBondContact O-N 3.34Å; S18-G21 PolarHBondContact O-N 2.78Å; G21-L25 VanDerWaalsContact O-CB 3.24Å; G21-L25 WeakPolarHBondContact O-CB 3.28Å; G21-L25 PolarHBondContact O-N 3.49Å
22A74.6Confident70.1Confident51 Ų5170.3 Ų70.342%0.42142%0.419SS..Hα-helixtrans-65-40.4175.800000112.1S18 V20 L25 M26S18-A22 WeakPolarHBondContact O-CB 3.44Å; S18-A22 PolarHBondContact O-N 2.88Å; V20-A22 PolarHBondContact O-N 3.4Å; A22-L25 PolarHBondContact O-N 2.72Å; A22-M26 VanDerWaalsContact O-CB 3.31Å; A22-M26 WeakPolarHBondContact O-CB 3.48Å; A22-M26 WeakPolarHBondContact O-CG 3.24Å; A22-M26 PolarHBondContact O-N 3.39Å
23T75.3Confident71.7Confident85 Ų8566.5 Ų66.552%0.52140%0.395SS..Hα-helixtrans-66.7-44.7177.9-54.40000111.4G19 V20 L25 M26 E27G19-T23 WeakPolarHBondContact O-CB 3.21Å; G19-T23 PolarHBondContact O-N 3.44Å; G19-T23 PolarHBondContact O-OG1 2.74Å; V20-T23 PolarHBondContact O-N 2.85Å; T23-L25 VanDerWaalsContact C-N 3.34Å; T23-L25 PolarHBondContact O-N 3.37Å; T23-M26 PolarHBondContact O-N 2.99Å; T23-E27 WeakPolarHBondContact O-CB 3.45Å; T23-E27 PolarHBondContact O-N 2.83Å
24I77.2Confident73.8Confident86 Ų8663.6 Ų63.644%0.44138%0.378SS..Iπ-helixtrans-59.6-47.9174.7-69.9170.1000109.9V20 V28 V29V20-I24 HydrophobicContact CG1-CD1 3.67Å; V20-I24 HydrophobicContact CG1-CG1 4.29Å; V20-I24 WeakPolarHBondContact O-CB 3.41Å; V20-I24 VanDerWaalsContact O-CG1 3.28Å; V20-I24 WeakPolarHBondContact O-CG1 3.3Å; V20-I24 PolarHBondContact O-N 2.95Å; I24-V28 HydrophobicContact CG2-CB 4.23Å; I24-V28 WeakPolarHBondContact O-CA 3.26Å; I24-V28 VanDerWaalsContact O-CB 3.26Å; I24-V28 WeakPolarHBondContact O-CB 3.45Å; I24-V28 PolarHBondContact O-N 3.45Å; I24-V29 PolarHBondContact O-N 2.82Å; I24-V29 VanDerWaalsContact O-N 3.14Å
25L81Confident75.9Confident90 Ų9061.7 Ų61.747%0.47138%0.378SS..Iπ-helixtrans-59.6-50179.5-172.966000110.9G21 A22 T23 V29 P30 L187G21-L25 VanDerWaalsContact O-CB 3.24Å; G21-L25 WeakPolarHBondContact O-CB 3.28Å; G21-L25 PolarHBondContact O-N 3.49Å; A22-L25 PolarHBondContact O-N 2.72Å; T23-L25 VanDerWaalsContact C-N 3.34Å; T23-L25 PolarHBondContact O-N 3.37Å; L25-V29 HydrophobicContact CD1-CG2 4.33Å; L25-V29 WeakPolarHBondContact O-CB 3.28Å; L25-P30 WeakPolarHBondContact O-CD 3.28Å; L25-L187 HydrophobicContact CD1-CD2 3.97Å; L25-L187 HydrophobicContact CD2-CD1 4.27Å; L25-L187 HydrophobicContact CG-CD1 3.94Å; L25-L187 HydrophobicContact CG-CD2 4.06Å; L25-L187 VanDerWaalsContact O-CD2 3.23Å; L25-L187 WeakPolarHBondContact O-CD2 3.27Å
26M80.3Confident78.2Confident46 Ų4668.1 Ų68.123%0.22739%0.39CS..Iπ-helixtrans-78.6-32.4-172.1-63.7-72.1-93.500113.9A22 T23 P30 K183 L187A22-M26 VanDerWaalsContact O-CB 3.31Å; A22-M26 WeakPolarHBondContact O-CB 3.48Å; A22-M26 WeakPolarHBondContact O-CG 3.24Å; A22-M26 PolarHBondContact O-N 3.39Å; T23-M26 PolarHBondContact O-N 2.99Å; M26-P30 WeakPolarHBondContact O-CG 3.3Å; M26-K183 HydrophobicContact CE-CB 3.16Å; M26-K183 HydrophobicContact CE-CG 4.05Å; M26-K183 VanDerWaalsContact O-CD 3.32Å; M26-K183 WeakPolarHBondContact O-CD 3.47Å; M26-K183 HydrophobicContact SD-CB 3.74Å; M26-L187 HydrophobicContact SD-CD1 3.61Å
27E83.2Confident80.1Confident44 Ų4466.9 Ų66.921%0.20637%0.374CS..Iπ-helixtrans-105.5-42.6-176.8-75-61.5133.800114.1T23 R31 W179 K183T23-E27 WeakPolarHBondContact O-CB 3.45Å; T23-E27 PolarHBondContact O-N 2.83Å; E27-R31 WeakPolarHBondContact O-CG 3.47Å; E27-R31 IonicContact OE2-CZ 3.74Å; E27-R31 IonicContact OE2-NE 3.5Å; E27-R31 IonicContact OE2-NH2 3.68Å; E27-R31 PolarHBondContact OE2-NH2 3.44Å; E27-R31 VanDerWaalsContact OE2-NH2 3.16Å; E27-W179 WeakPolarHBondContact OE1-CZ2 3.2Å; E27-K183 WeakPolarHBondContact OE1-CE 3.44Å; E27-K183 IonicContact OE1-NZ 2.66Å; E27-K183 PolarHBondContact OE1-NZ 2.66Å; E27-K183 IonicContact OE2-NZ 2.73Å
28V86.6Confident81.7Confident72 Ų7264.7 Ų64.744%0.43637%0.366SS..Iπ-helixtrans-81.4-44.4-171.6-179.10000110.8I24 R31 V32I24-V28 HydrophobicContact CG2-CB 4.23Å; I24-V28 WeakPolarHBondContact O-CA 3.26Å; I24-V28 VanDerWaalsContact O-CB 3.26Å; I24-V28 WeakPolarHBondContact O-CB 3.45Å; I24-V28 PolarHBondContact O-N 3.45Å; V28-R31 PolarHBondContact O-N 3.18Å; V28-V32 HydrophobicContact CG1-CG2 4Å; V28-V32 VanDerWaalsContact O-CG2 3.31Å; V28-V32 WeakPolarHBondContact O-CG2 3.26Å; V28-V32 PolarHBondContact O-N 3.02Å
29V87Confident82.9Confident49 Ų4968.9 Ų68.930%0.29738%0.376SS..Hα-helixtrans-60.4-48.4-176.9175.40000112.5I24 L25 R31 V32 N33 L187I24-V29 PolarHBondContact O-N 2.82Å; I24-V29 VanDerWaalsContact O-N 3.14Å; L25-V29 HydrophobicContact CD1-CG2 4.33Å; L25-V29 WeakPolarHBondContact O-CB 3.28Å; V29-R31 VanDerWaalsContact C-N 3.33Å; V29-R31 PolarHBondContact O-N 3.4Å; V29-V32 PolarHBondContact O-N 3.4Å; V29-N33 PolarHBondContact O-N 2.7Å; V29-L187 HydrophobicContact CB-CD2 4.24Å; V29-L187 HydrophobicContact CG1-CD2 4.15Å
30P87.5Confident84Confident0 Ų070 Ų700%038%0.382CS..Hα-helixtrans-56.1-43.7175.6-31.540.2000113.7L25 M26 N33 E34 D186 L187 I193 A196L25-P30 WeakPolarHBondContact O-CD 3.28Å; M26-P30 WeakPolarHBondContact O-CG 3.3Å; P30-N33 PolarHBondContact O-N 2.89Å; P30-E34 WeakPolarHBondContact O-CB 3.27Å; P30-E34 PolarHBondContact O-N 3.36Å; P30-D186 HydrophobicContact CB-CB 3.98Å; P30-D186 HydrophobicContact CG-CB 3.8Å; P30-L187 HydrophobicContact CG-CD2 4.42Å; P30-I193 HydrophobicContact CB-CD1 3.66Å; P30-A196 HydrophobicContact CB-CB 4.08Å
31R88.7Confident84.6Confident149 Ų14968.9 Ų68.956%0.56237%0.373SS*.Hα-helixtrans-68-37.5179.4-68.5-177.5-171-174.98112.7E27 V28 V29 N33 E34 A35 A196E27-R31 WeakPolarHBondContact O-CG 3.47Å; E27-R31 IonicContact OE2-CZ 3.74Å; E27-R31 IonicContact OE2-NE 3.5Å; E27-R31 IonicContact OE2-NH2 3.68Å; E27-R31 PolarHBondContact OE2-NH2 3.44Å; E27-R31 VanDerWaalsContact OE2-NH2 3.16Å; V28-R31 PolarHBondContact O-N 3.18Å; V29-R31 VanDerWaalsContact C-N 3.33Å; V29-R31 PolarHBondContact O-N 3.4Å; R31-N33 VanDerWaalsContact C-N 3.34Å; R31-E34 PolarHBondContact O-N 2.9Å; R31-A35 WeakPolarHBondContact O-CB 3.49Å; R31-A35 PolarHBondContact O-N 3.11Å; R31-A196 HydrophobicContact CG-CB 3.98Å
32V89.9Confident85Confident60 Ų6074.3 Ų74.336%0.36439%0.392SS..Hα-helixtrans-64.1-42.2174.1169.90000110.5V28 V29 A35 R36V28-V32 HydrophobicContact CG1-CG2 4Å; V28-V32 VanDerWaalsContact O-CG2 3.31Å; V28-V32 WeakPolarHBondContact O-CG2 3.26Å; V28-V32 PolarHBondContact O-N 3.02Å; V29-V32 PolarHBondContact O-N 3.4Å; V32-A35 PolarHBondContact O-N 3.02Å; V32-R36 WeakPolarHBondContact O-CB 3.48Å; V32-R36 VanDerWaalsContact O-CG 3.32Å; V32-R36 WeakPolarHBondContact O-CG 3.33Å; V32-R36 PolarHBondContact O-N 2.78Å
33N89.1Confident85.3Confident25 Ų2575.9 Ų75.913%0.13440%0.4CS..Hα-helixtrans-66.1-42.3177-72.1-18.1000112.1V29 P30 R31 A35 R36 R37 G190 I193V29-N33 PolarHBondContact O-N 2.7Å; P30-N33 PolarHBondContact O-N 2.89Å; R31-N33 VanDerWaalsContact C-N 3.34Å; N33-A35 PolarHBondContact O-N 3.49Å; N33-R36 PolarHBondContact O-N 2.7Å; N33-R37 WeakPolarHBondContact O-CB 3.49Å; N33-R37 PolarHBondContact O-N 2.92Å; N33-G190 VanDerWaalsContact CB-O 3.28Å; N33-G190 WeakPolarHBondContact CB-O 3.5Å; N33-G190 PolarHBondContact ND2-O 3.45Å; N33-I193 HydrophobicContact CB-CG2 3.7Å
34E90.5Very high85.5Confident50 Ų5076.6 Ų76.623%0.23439%0.394CS..Hα-helixtrans-57.3-47.3172.7176.5-178.3167.900111.5P30 R31 R36 R37 T38 I193 K195 A196P30-E34 WeakPolarHBondContact O-CB 3.27Å; P30-E34 PolarHBondContact O-N 3.36Å; R31-E34 PolarHBondContact O-N 2.9Å; E34-R36 PolarHBondContact O-N 2.71Å; E34-R37 PolarHBondContact O-N 2.72Å; E34-T38 WeakPolarHBondContact O-CB 3.44Å; E34-T38 PolarHBondContact O-N 3.25Å; E34-T38 PolarHBondContact O-OG1 2.71Å; E34-I193 HydrophobicContact CB-CG2 4.22Å; E34-K195 WeakPolarHBondContact OE2-CA 3.26Å; E34-A196 PolarHBondContact OE2-N 2.76Å
35A89.9Confident85.6Confident61 Ų6178.2 Ų78.250%0.50441%0.409SS..Hα-helixtrans-63.2-41.6178.100000112.1R31 V32 N33 T38 K39R31-A35 WeakPolarHBondContact O-CB 3.49Å; R31-A35 PolarHBondContact O-N 3.11Å; V32-A35 PolarHBondContact O-N 3.02Å; N33-A35 PolarHBondContact O-N 3.49Å; A35-T38 PolarHBondContact O-N 2.66Å; A35-K39 WeakPolarHBondContact O-CB 3.47Å; A35-K39 PolarHBondContact O-N 3.42Å
36R89.4Confident85.8Confident174 Ų17482.9 Ų82.966%0.65743%0.426SS*.Hα-helixtrans-62.4-44.8175.4-76.5175.5177.6-176.8-1.1111.8V32 N33 E34 K39 A40V32-R36 WeakPolarHBondContact O-CB 3.48Å; V32-R36 VanDerWaalsContact O-CG 3.32Å; V32-R36 WeakPolarHBondContact O-CG 3.33Å; V32-R36 PolarHBondContact O-N 2.78Å; N33-R36 PolarHBondContact O-N 2.7Å; E34-R36 PolarHBondContact O-N 2.71Å; R36-K39 PolarHBondContact O-N 2.76Å; R36-A40 WeakPolarHBondContact O-CB 3.29Å; R36-A40 PolarHBondContact O-N 3.24Å
37R87.7Confident86.1Confident25 Ų2581.8 Ų81.89%0.09442%0.422CS..Hα-helixtrans-61.5-47.2176.4-179.2-177.1175.4-0.65.5111.3N33 E34 K39 A40 L41 S150 D154 I193N33-R37 WeakPolarHBondContact O-CB 3.49Å; N33-R37 PolarHBondContact O-N 2.92Å; E34-R37 PolarHBondContact O-N 2.72Å; R37-K39 VanDerWaalsContact C-N 3.31Å; R37-K39 PolarHBondContact O-N 3.46Å; R37-A40 PolarHBondContact O-N 3.42Å; R37-L41 VanDerWaalsContact NH1-CG 3.28Å; R37-L41 PolarHBondContact O-N 3.21Å; R37-S150 PolarHBondContact NH2-OG 3.01Å; R37-D154 IonicContact CZ-OD1 2.86Å; R37-D154 VanDerWaalsContact CZ-OD1 3.27Å; R37-D154 IonicContact CZ-OD2 3.69Å; R37-D154 IonicContact NH1-OD1 3.47Å; R37-D154 PolarHBondContact NH1-OD1 3.34Å; R37-D154 IonicContact NH1-OD2 3.63Å; R37-D154 PolarHBondContact NH1-OD2 3.4Å; R37-D154 IonicContact NH2-OD1 3.18Å; R37-D154 PolarHBondContact NH2-OD1 2.9Å; R37-D154 IonicContact NH2-OD2 2.72Å; R37-I193 WeakPolarHBondContact CD-O 3.09Å
38T87Confident86.4Confident67 Ų6782.6 Ų82.641%0.41143%0.433SS..Hα-helixtrans-59.7-44.1178.6-56.90000111E34 A35 L41 L42E34-T38 WeakPolarHBondContact O-CB 3.44Å; E34-T38 PolarHBondContact O-N 3.25Å; E34-T38 PolarHBondContact O-OG1 2.71Å; A35-T38 PolarHBondContact O-N 2.66Å; T38-L41 PolarHBondContact O-N 3.24Å; T38-L42 HydrophobicContact CG2-CD1 4.18Å; T38-L42 WeakPolarHBondContact O-CG 3.47Å; T38-L42 PolarHBondContact O-N 3.1Å
39K88.1Confident86.6Confident157 Ų15785.6 Ų85.668%0.68344%0.442SS*.Hα-helixtrans-60.8-46.2174.7-174.8178.3179.8179.90111.8A35 R36 R37 L41 L42 S43A35-K39 WeakPolarHBondContact O-CB 3.47Å; A35-K39 PolarHBondContact O-N 3.42Å; R36-K39 PolarHBondContact O-N 2.76Å; R37-K39 VanDerWaalsContact C-N 3.31Å; R37-K39 PolarHBondContact O-N 3.46Å; K39-L41 VanDerWaalsContact C-N 3.3Å; K39-L41 PolarHBondContact O-N 3.35Å; K39-L42 PolarHBondContact O-N 3.03Å; K39-S43 WeakPolarHBondContact O-CB 3.45Å; K39-S43 PolarHBondContact O-N 3.06Å; K39-S43 PolarHBondContact O-OG 3.46Å; K39-S43 VanDerWaalsContact O-OG 3.06Å
40A85.4Confident86.8Confident56 Ų5691.1 Ų91.146%0.46347%0.465SS..Hα-helixtrans-61.4-37.7179.100000112.5R36 R37 S43 R44R36-A40 WeakPolarHBondContact O-CB 3.29Å; R36-A40 PolarHBondContact O-N 3.24Å; R37-A40 PolarHBondContact O-N 3.42Å; A40-S43 WeakPolarHBondContact CA-OG 3.42Å; A40-S43 PolarHBondContact O-N 3.47Å; A40-S43 PolarHBondContact O-OG 3.22Å; A40-S43 VanDerWaalsContact O-OG 3.12Å; A40-R44 PolarHBondContact O-N 3.31Å
41L82.9Confident86.9Confident64 Ų6493.3 Ų93.334%0.33548%0.475SS..Hα-helixtrans-64.3-48174.3-78.8-178.7000112.4R37 T38 K39 S43 R44 D154R37-L41 VanDerWaalsContact NH1-CG 3.28Å; R37-L41 PolarHBondContact O-N 3.21Å; T38-L41 PolarHBondContact O-N 3.24Å; K39-L41 VanDerWaalsContact C-N 3.3Å; K39-L41 PolarHBondContact O-N 3.35Å; L41-S43 PolarHBondContact O-N 3.26Å; L41-R44 WeakPolarHBondContact O-CB 3.34Å; L41-R44 PolarHBondContact O-N 2.91Å; L41-D154 WeakPolarHBondContact CD2-OD1 3.29Å
42L82.9Confident87Confident149 Ų14989.4 Ų89.478%0.7846%0.462SS*.Hα-helixtrans-66.6-25179.3-67.7171.9000112.5T38 K39T38-L42 HydrophobicContact CG2-CD1 4.18Å; T38-L42 WeakPolarHBondContact O-CG 3.47Å; T38-L42 PolarHBondContact O-N 3.1Å; K39-L42 PolarHBondContact O-N 3.03Å
43S82.7Confident87.2Confident84 Ų8491.6 Ų91.659%0.58747%0.467SS*.THydrogen-bonded Turntrans-93.910177.666.90000114.2K39 A40 L41K39-S43 WeakPolarHBondContact O-CB 3.45Å; K39-S43 PolarHBondContact O-N 3.06Å; K39-S43 PolarHBondContact O-OG 3.46Å; K39-S43 VanDerWaalsContact O-OG 3.06Å; A40-S43 WeakPolarHBondContact CA-OG 3.42Å; A40-S43 PolarHBondContact O-N 3.47Å; A40-S43 PolarHBondContact O-OG 3.22Å; A40-S43 VanDerWaalsContact O-OG 3.12Å; L41-S43 PolarHBondContact O-N 3.26Å
44R78.5Confident87.5Confident101 Ų10193.9 Ų93.938%0.38147%0.474SS..PPolyproline II helixtrans-61.2135.4178.5-82.7-175.8170.7-179.8-1.3110.7A40 L41 D154A40-R44 PolarHBondContact O-N 3.31Å; L41-R44 WeakPolarHBondContact O-CB 3.34Å; L41-R44 PolarHBondContact O-N 2.91Å; R44-D154 IonicContact CZ-OD2 3.58Å; R44-D154 VanDerWaalsContact NH1-CB 3.31Å; R44-D154 PolarHBondContact NH1-O 3.43Å; R44-D154 VanDerWaalsContact NH2-CB 3.25Å; R44-D154 IonicContact NH2-OD2 3.99Å; R44-D154 PolarHBondContact NH2-OD2 3.37Å
45P79.6Confident87.7Confident119 Ų11991.6 Ų91.677%0.77346%0.463SS*.PPolyproline II helixtrans-59.9142.7172.526.5-32.5000109
46K84.4Confident87.8Confident189 Ų18995.6 Ų95.682%0.82247%0.471SS*.PPolyproline II helixtrans-61.6150.5170.2-68-175.1177.4-176.30109.2
47P86.9Confident87.9Confident23 Ų2394.6 Ų94.615%0.14947%0.467CS..PPolyproline II helixtrans-54147.6174.2-20.730.2000111E51 F52 L487 H492P47-E51 WeakPolarHBondContact CA-OE2 3.25Å; P47-E51 HydrophobicContact CB-CB 4.45Å; P47-E51 HydrophobicContact CB-CG 4.37Å; P47-E51 WeakPolarHBondContact CB-OE2 3.47Å; P47-F52 HydrophobicContact CB-CD2 3.93Å; P47-F52 HydrophobicContact CB-CE2 3.55Å; P47-F52 HydrophobicContact CB-CZ 3.9Å; P47-F52 HydrophobicContact CG-CE1 4.48Å; P47-F52 HydrophobicContact CG-CE2 3.86Å; P47-F52 HydrophobicContact CG-CZ 3.74Å; P47-F52 VanDerWaalsContact O-CE2 3.3Å; P47-F52 WeakPolarHBondContact O-CE2 3.5Å; P47-L487 HydrophobicContact CG-CD1 3.85Å; P47-H492 HydrophobicContact CG-CB 4.17Å
48S89.8Confident88.2Confident61 Ų6199.1 Ų99.143%0.42750%0.5SS..PPolyproline II helixtrans-70.2157.5180710000111.2Q50 E51 F52S48-Q50 PolarHBondContact O-N 2.93Å; S48-E51 PolarHBondContact N-OE2 3.14Å; S48-E51 WeakPolarHBondContact O-CB 3.43Å; S48-E51 PolarHBondContact O-N 3.48Å; S48-E51 VanDerWaalsContact OG-CB 3.29Å; S48-E51 WeakPolarHBondContact OG-CB 3.1Å; S48-E51 PolarHBondContact OG-N 2.77Å; S48-E51 VanDerWaalsContact OG-N 3.17Å; S48-F52 WeakPolarHBondContact O-CD2 3.4Å; S48-F52 PolarHBondContact O-N 2.77Å
49E90.2Very high88.7Confident135 Ų13597.3 Ų97.363%0.63149%0.487SS*.Hα-helixtrans-59.2-35176.2-165.1-167.9150.700112.2E51 K53E49-E51 VanDerWaalsContact C-N 3.33Å; E49-K53 HydrophobicContact CG-CD 4.44Å; E49-K53 WeakPolarHBondContact O-CB 3.2Å; E49-K53 VanDerWaalsContact O-CG 3.31Å; E49-K53 WeakPolarHBondContact O-CG 3.41Å; E49-K53 PolarHBondContact O-N 2.96Å; E49-K53 WeakPolarHBondContact OE1-CE 3.4Å; E49-K53 IonicContact OE1-NZ 3.14Å; E49-K53 PolarHBondContact OE1-NZ 2.9Å
50Q91.3Very high89.1Confident165 Ų16592.1 Ų92.177%0.77147%0.47SS*.Hα-helixtrans-66.4-35.9175.4-66.7-178.7-2.100112.3S48 R54S48-Q50 PolarHBondContact O-N 2.93Å; Q50-R54 PolarHBondContact O-N 3.1Å; Q50-R54 VanDerWaalsContact O-N 3.12Å
51E90.5Very high89.7Confident46 Ų4693 Ų9322%0.21547%0.47CS..Hα-helixtrans-70.3-48.8176.7-168.8174.8-158.100110.4P47 S48 E49 K53 R54 F55 H492P47-E51 WeakPolarHBondContact CA-OE2 3.25Å; P47-E51 HydrophobicContact CB-CB 4.45Å; P47-E51 HydrophobicContact CB-CG 4.37Å; P47-E51 WeakPolarHBondContact CB-OE2 3.47Å; S48-E51 PolarHBondContact N-OE2 3.14Å; S48-E51 WeakPolarHBondContact O-CB 3.43Å; S48-E51 PolarHBondContact O-N 3.48Å; S48-E51 VanDerWaalsContact OG-CB 3.29Å; S48-E51 WeakPolarHBondContact OG-CB 3.1Å; S48-E51 PolarHBondContact OG-N 2.77Å; S48-E51 VanDerWaalsContact OG-N 3.17Å; E49-E51 VanDerWaalsContact C-N 3.33Å; E51-K53 VanDerWaalsContact C-N 3.32Å; E51-K53 PolarHBondContact O-N 2.9Å; E51-R54 WeakPolarHBondContact O-CB 3.42Å; E51-R54 PolarHBondContact O-N 3.26Å; E51-F55 HydrophobicContact CG-CD2 4.26Å; E51-F55 HydrophobicContact CG-CE2 4.18Å; E51-F55 WeakPolarHBondContact O-CD2 3.08Å; E51-F55 PolarHBondContact O-N 3.07Å; E51-F55 VanDerWaalsContact O-N 3.14Å; E51-H492 WeakPolarHBondContact CG-NE2 3.48Å; E51-H492 IonicContact OE1-NE2 3.16Å
52F90.7Very high90.4Very high66 Ų6691 Ų9129%0.28946%0.458SS..Hα-helixtrans-52.5-49.6171.7-83.4-68.8000111.9P47 S48 R54 F55 E56 H492P47-F52 HydrophobicContact CB-CD2 3.93Å; P47-F52 HydrophobicContact CB-CE2 3.55Å; P47-F52 HydrophobicContact CB-CZ 3.9Å; P47-F52 HydrophobicContact CG-CE1 4.48Å; P47-F52 HydrophobicContact CG-CE2 3.86Å; P47-F52 HydrophobicContact CG-CZ 3.74Å; P47-F52 VanDerWaalsContact O-CE2 3.3Å; P47-F52 WeakPolarHBondContact O-CE2 3.5Å; S48-F52 WeakPolarHBondContact O-CD2 3.4Å; S48-F52 PolarHBondContact O-N 2.77Å; F52-R54 PolarHBondContact O-N 3.41Å; F52-R54 VanDerWaalsContact O-N 3.17Å; F52-F55 PolarHBondContact O-N 3.21Å; F52-F55 VanDerWaalsContact O-N 3.11Å; F52-E56 WeakPolarHBondContact O-CB 3.32Å; F52-E56 WeakPolarHBondContact O-CG 3.49Å; F52-E56 PolarHBondContact O-N 3.13Å; F52-H492 HydrophobicContact CD1-CB 4.34Å; F52-H492 HydrophobicContact CE1-CB 3.94Å
53K93.4Very high91.1Very high107 Ų10788.6 Ų88.647%0.46545%0.445SS..Hα-helixtrans-58.6-28.6176.4-79.5172.4170.3165.90113.9E49 E51 R57E49-K53 HydrophobicContact CG-CD 4.44Å; E49-K53 WeakPolarHBondContact O-CB 3.2Å; E49-K53 VanDerWaalsContact O-CG 3.31Å; E49-K53 WeakPolarHBondContact O-CG 3.41Å; E49-K53 PolarHBondContact O-N 2.96Å; E49-K53 WeakPolarHBondContact OE1-CE 3.4Å; E49-K53 IonicContact OE1-NZ 3.14Å; E49-K53 PolarHBondContact OE1-NZ 2.9Å; E51-K53 VanDerWaalsContact C-N 3.32Å; E51-K53 PolarHBondContact O-N 2.9Å; K53-R57 WeakPolarHBondContact O-CG 3.44Å; K53-R57 PolarHBondContact O-NE 2.89Å
54R95.4Very high91.9Very high73 Ų7389.4 Ų89.428%0.27544%0.44SS..Hα-helixtrans-73.8-43176.2180-179.7-71.2-94.71.7111.1Q50 E51 F52 R243 D245Q50-R54 PolarHBondContact O-N 3.1Å; Q50-R54 VanDerWaalsContact O-N 3.12Å; E51-R54 WeakPolarHBondContact O-CB 3.42Å; E51-R54 PolarHBondContact O-N 3.26Å; F52-R54 PolarHBondContact O-N 3.41Å; F52-R54 VanDerWaalsContact O-N 3.17Å; R54-R243 VanDerWaalsContact CD-O 3.25Å; R54-R243 WeakPolarHBondContact CD-O 3.33Å; R54-R243 HydrophobicContact CG-CB 4.23Å; R54-R243 WeakPolarHBondContact CG-O 3.31Å; R54-R243 PolarHBondContact NH1-O 3.43Å; R54-D245 IonicContact NH1-OD2 2.85Å; R54-D245 PolarHBondContact NH1-OD2 3.03Å
55F94.7Very high92.8Very high2 Ų285 Ų851%0.00942%0.424CS..Hα-helixtrans-86-10.4-175.6-75.2-97.3000114.3E51 F52 T240 R243 Y244 E489 H492 K523E51-F55 HydrophobicContact CG-CD2 4.26Å; E51-F55 HydrophobicContact CG-CE2 4.18Å; E51-F55 WeakPolarHBondContact O-CD2 3.08Å; E51-F55 PolarHBondContact O-N 3.07Å; E51-F55 VanDerWaalsContact O-N 3.14Å; F52-F55 PolarHBondContact O-N 3.21Å; F52-F55 VanDerWaalsContact O-N 3.11Å; F55-T240 HydrophobicContact CE1-CG2 3.95Å; F55-T240 HydrophobicContact CZ-CG2 3.8Å; F55-R243 HydrophobicContact CD1-CG 3.82Å; F55-R243 HydrophobicContact CE1-CB 4.23Å; F55-R243 HydrophobicContact CE1-CG 3.79Å; F55-R243 HydrophobicContact CG-CG 4.43Å; F55-R243 HydrophobicContact CZ-CB 4.32Å; F55-R243 HydrophobicContact CZ-CG 4.37Å; F55-R243 PolarHBondContact O-NH2 3.34Å; F55-Y244 HydrophobicContact CZ-CE2 4.43Å; F55-E489 VanDerWaalsContact CD1-OE2 3.29Å; F55-E489 WeakPolarHBondContact CD1-OE2 3.39Å; F55-H492 AromaticContact CD1-CE1 3.43Å; F55-H492 VanDerWaalsContact CD1-CE1 3.43Å; F55-H492 WeakPolarHBondContact CD1-CE1 3.34Å; F55-H492 AromaticContact CD1-ND1 3.81Å; F55-H492 AromaticContact CD2-CD2 3.95Å; F55-H492 AromaticContact CD2-CE1 3.5Å; F55-H492 VanDerWaalsContact CD2-CE1 3.5Å; F55-H492 WeakPolarHBondContact CD2-CE1 3.26Å; F55-H492 AromaticContact CD2-NE2 3.28Å; F55-H492 VanDerWaalsContact CD2-NE2 3.28Å; F55-H492 WeakPolarHBondContact CD2-NE2 3.39Å; F55-H492 AromaticContact CE1-CE1 3.32Å; F55-H492 WeakPolarHBondContact CE1-CE1 3.39Å; F55-H492 AromaticContact CE2-CE1 3.39Å; F55-H492 WeakPolarHBondContact CE2-CE1 3.48Å; F55-H492 AromaticContact CE2-NE2 3.2Å; F55-H492 WeakPolarHBondContact CE2-NE2 3.48Å; F55-H492 AromaticContact CG-CE1 3.52Å; F55-H492 AromaticContact CG-ND1 3.88Å; F55-H492 AromaticContact CG-NE2 3.75Å; F55-H492 AromaticContact CZ-CE1 3.29Å; F55-H492 WeakPolarHBondContact CZ-CE1 3.24Å; F55-H492 AromaticContact CZ-NE2 3.59Å; F55-K523 WeakPolarHBondContact O-CE 3.46Å; F55-K523 PolarHBondContact O-NZ 2.76Å
56E91.4Very high93.7Very high144 Ų14480.2 Ų80.267%0.67339%0.391SS*.SBendtrans-86.5-19.5171.3-76.4178.2173.700114F52F52-E56 WeakPolarHBondContact O-CB 3.32Å; F52-E56 WeakPolarHBondContact O-CG 3.49Å; F52-E56 PolarHBondContact O-N 3.13Å
57R92.7Very high94.4Very high154 Ų15478.4 Ų78.458%0.58138%0.383SS*.SBendtrans-57.4151.7177.4-74.1169.2-169.6-164.9-0.9110.3K53 R243K53-R57 WeakPolarHBondContact O-CG 3.44Å; K53-R57 PolarHBondContact O-NE 2.89Å; R57-R243 PolarHBondContact O-NH1 3.16Å; R57-R243 PolarHBondContact O-NH2 3.13Å
58P93.7Very high94.9Very high119 Ų11980.9 Ų80.977%0.77339%0.39SS*.PPolyproline II helixtrans-60.7144.8164.9-23.334.7000110.8
59L96.5Very high95.4Very high29 Ų2978 Ų7815%0.15237%0.37CS..PPolyproline II helixtrans-68.5141.8167.8-72.2167.8000109L239 A242 E562L59-L239 HydrophobicContact CD1-CD1 4.41Å; L59-L239 HydrophobicContact CD1-CD2 3.83Å; L59-A242 HydrophobicContact CD2-CB 4.33Å; L59-E562 HydrophobicContact CD1-CG 4.44Å
60P97.8Very high95.7Very high48 Ų4873.7 Ų73.731%0.31236%0.357SS..PPolyproline II helixtrans-59.7147.8168.9-17.529.6000110.1E64 H65 Y563P60-E64 VanDerWaalsContact CA-OE2 3.28Å; P60-E64 WeakPolarHBondContact CA-OE2 3.23Å; P60-E64 HydrophobicContact CB-CB 4.24Å; P60-H65 PolarHBondContact O-NE2 2.87Å; P60-Y563 VanDerWaalsContact O-CE1 3.26Å; P60-Y563 WeakPolarHBondContact O-CE1 3.14Å; P60-Y563 PolarHBondContact O-OH 3.19Å; P60-Y563 VanDerWaalsContact O-OH 3.06Å
61T97.9Very high96Very high75 Ų7569.4 Ų69.446%0.4635%0.345SS..PPolyproline II helixtrans-72.1158.5177.271.30000110.8D63 E64 H65T61-D63 PolarHBondContact O-N 2.78Å; T61-E64 PolarHBondContact N-OE2 2.9Å; T61-E64 WeakPolarHBondContact O-CB 3.42Å; T61-E64 PolarHBondContact O-N 3.04Å; T61-E64 WeakPolarHBondContact OG1-CG 3.34Å; T61-E64 PolarHBondContact OG1-N 3.4Å; T61-E64 PolarHBondContact OG1-OE2 2.9Å; T61-H65 PolarHBondContact O-CD2 2.86Å; T61-H65 VanDerWaalsContact O-CD2 3.24Å; T61-H65 PolarHBondContact O-N 3.19Å; T61-H65 VanDerWaalsContact O-N 3.1Å
62R97.8Very high96.3Very high22 Ų2269.2 Ų69.28%0.08336%0.356CS..Hα-helixtrans-53.2-40.3174.9-175.2178.7177.1-88.4-0.1111.6E64 H65 L66 N250 Y251 D290 Y563R62-E64 PolarHBondContact O-N 3.24Å; R62-H65 WeakPolarHBondContact O-CB 3.45Å; R62-H65 PolarHBondContact O-N 2.93Å; R62-L66 HydrophobicContact CG-CD1 4.4Å; R62-L66 VanDerWaalsContact NH1-CD1 3.34Å; R62-L66 WeakPolarHBondContact O-CG 3.47Å; R62-L66 PolarHBondContact O-N 3.02Å; R62-N250 PolarHBondContact NE-O 3.23Å; R62-N250 PolarHBondContact NE-OD1 3.35Å; R62-N250 PolarHBondContact NH2-O 3.34Å; R62-Y251 PolarHBondContact NH2-O 3.45Å; R62-D290 IonicContact CZ-OD1 2.74Å; R62-D290 IonicContact NH1-OD1 3.81Å; R62-D290 PolarHBondContact NH1-OD1 3.18Å; R62-D290 IonicContact NH1-OD2 2.78Å; R62-D290 PolarHBondContact NH1-OD2 3.33Å; R62-D290 IonicContact NH2-OD1 3.17Å; R62-D290 PolarHBondContact NH2-OD1 3.29Å; R62-Y563 HydrophobicContact CB-CD1 4.09Å
63D97.8Very high96.6Very high98 Ų9869.1 Ų69.152%0.52436%0.357SS..Hα-helixtrans-67.3-34.5179.1-70.6-12.8000112.8T61 L66 K67T61-D63 PolarHBondContact O-N 2.78Å; D63-L66 PolarHBondContact O-N 3Å; D63-K67 WeakPolarHBondContact O-CB 3.32Å; D63-K67 VanDerWaalsContact O-CG 3.22Å; D63-K67 WeakPolarHBondContact O-CG 3.42Å; D63-K67 PolarHBondContact O-N 2.92Å
64E98.4Very high96.8Very high102 Ų10268.3 Ų68.348%0.47736%0.357SS..Hα-helixtrans-66.3-42.1174.1-71.6170.4151.400111.2P60 T61 R62 K67 R68P60-E64 VanDerWaalsContact CA-OE2 3.28Å; P60-E64 WeakPolarHBondContact CA-OE2 3.23Å; P60-E64 HydrophobicContact CB-CB 4.24Å; T61-E64 PolarHBondContact N-OE2 2.9Å; T61-E64 WeakPolarHBondContact O-CB 3.42Å; T61-E64 PolarHBondContact O-N 3.04Å; T61-E64 WeakPolarHBondContact OG1-CG 3.34Å; T61-E64 PolarHBondContact OG1-N 3.4Å; T61-E64 PolarHBondContact OG1-OE2 2.9Å; R62-E64 PolarHBondContact O-N 3.24Å; E64-K67 PolarHBondContact O-N 3.34Å; E64-R68 PolarHBondContact O-N 3.46Å; E64-R68 VanDerWaalsContact O-N 3.07Å
65H98.6Very high96.9Very high9 Ų964.9 Ų64.94%0.04234%0.344CS..Hα-helixtrans-59-49.6172.3-69.5-62.1000111.3P60 T61 R62 K67 R68 M69 A247 I248 Y563P60-H65 PolarHBondContact O-NE2 2.87Å; T61-H65 PolarHBondContact O-CD2 2.86Å; T61-H65 VanDerWaalsContact O-CD2 3.24Å; T61-H65 PolarHBondContact O-N 3.19Å; T61-H65 VanDerWaalsContact O-N 3.1Å; R62-H65 WeakPolarHBondContact O-CB 3.45Å; R62-H65 PolarHBondContact O-N 2.93Å; H65-K67 PolarHBondContact O-N 2.79Å; H65-R68 PolarHBondContact O-N 2.86Å; H65-M69 HydrophobicContact CB-CE 4.41Å; H65-M69 VanDerWaalsContact O-CG 3.27Å; H65-M69 WeakPolarHBondContact O-CG 3.49Å; H65-M69 PolarHBondContact O-N 3.16Å; H65-A247 WeakPolarHBondContact ND1-CA 3.34Å; H65-I248 VanDerWaalsContact CB-O 3.26Å; H65-I248 WeakPolarHBondContact CB-O 3.46Å; H65-I248 PolarHBondContact CD2-O 3.28Å; H65-I248 VanDerWaalsContact CD2-O 3.22Å; H65-I248 PolarHBondContact ND1-N 2.8Å; H65-Y563 AromaticContact CD2-CE1 3.84Å; H65-Y563 AromaticContact CD2-CZ 3.94Å; H65-Y563 AromaticContact NE2-CE1 3.95Å; H65-Y563 AromaticContact NE2-CZ 3.62Å; H65-Y563 PolarHBondContact NE2-OH 2.83Å
66L98.5Very high97.1Very high17 Ų1766.2 Ų66.29%0.08935%0.351CS..Hα-helixtrans-61.9-41179.2-71.1178.1000112.9R62 D63 R68 M69 A70 A249 V252 F297R62-L66 HydrophobicContact CG-CD1 4.4Å; R62-L66 VanDerWaalsContact NH1-CD1 3.34Å; R62-L66 WeakPolarHBondContact O-CG 3.47Å; R62-L66 PolarHBondContact O-N 3.02Å; D63-L66 PolarHBondContact O-N 3Å; L66-R68 VanDerWaalsContact C-N 3.3Å; L66-R68 PolarHBondContact O-N 3.3Å; L66-M69 HydrophobicContact CD2-SD 4.37Å; L66-M69 PolarHBondContact O-N 2.89Å; L66-A70 VanDerWaalsContact O-CB 3.3Å; L66-A70 WeakPolarHBondContact O-CB 3.39Å; L66-A70 PolarHBondContact O-N 3.46Å; L66-A249 HydrophobicContact CD2-CB 3.98Å; L66-V252 HydrophobicContact CD2-CG2 3.62Å; L66-F297 HydrophobicContact CD2-CE1 4.3Å; L66-F297 HydrophobicContact CD2-CZ 3.82Å
67K98.3Very high97.5Very high151 Ų15159.4 Ų59.466%0.65732%0.319SS*.Hα-helixtrans-60.2-42.4175.4-78.2170.1-174.6172.80111.3D63 E64 H65 A70 S71D63-K67 WeakPolarHBondContact O-CB 3.32Å; D63-K67 VanDerWaalsContact O-CG 3.22Å; D63-K67 WeakPolarHBondContact O-CG 3.42Å; D63-K67 PolarHBondContact O-N 2.92Å; E64-K67 PolarHBondContact O-N 3.34Å; H65-K67 PolarHBondContact O-N 2.79Å; K67-A70 PolarHBondContact O-N 2.83Å; K67-S71 WeakPolarHBondContact O-CB 3.38Å; K67-S71 PolarHBondContact O-N 3.39Å; K67-S71 VanDerWaalsContact O-N 3.1Å
68R98.4Very high97.8Very high76 Ų7652 Ų5229%0.28729%0.292SS..Hα-helixtrans-65.7-46.8176.1-170.1-174.6166.1-165.5-1.4111.3E64 H65 L66 A70 S71 E73 F75 D245E64-R68 PolarHBondContact O-N 3.46Å; E64-R68 VanDerWaalsContact O-N 3.07Å; H65-R68 PolarHBondContact O-N 2.86Å; L66-R68 VanDerWaalsContact C-N 3.3Å; L66-R68 PolarHBondContact O-N 3.3Å; R68-A70 VanDerWaalsContact C-N 3.28Å; R68-A70 PolarHBondContact O-N 2.85Å; R68-S71 VanDerWaalsContact O-CB 3.27Å; R68-S71 WeakPolarHBondContact O-CB 3.39Å; R68-S71 PolarHBondContact O-N 2.9Å; R68-S71 VanDerWaalsContact O-N 3.14Å; R68-S71 PolarHBondContact O-OG 3.16Å; R68-E73 VanDerWaalsContact CG-OE2 3.28Å; R68-E73 WeakPolarHBondContact CG-OE2 3.49Å; R68-E73 IonicContact CZ-OE1 3.23Å; R68-E73 IonicContact CZ-OE2 2.7Å; R68-E73 IonicContact NE-OE1 2.92Å; R68-E73 IonicContact NE-OE2 2.71Å; R68-E73 PolarHBondContact NE-OE2 2.89Å; R68-E73 IonicContact NH2-OE1 3.82Å; R68-E73 PolarHBondContact NH2-OE1 3.35Å; R68-E73 IonicContact NH2-OE2 3.85Å; R68-F75 HydrophobicContact CG-CZ 4.11Å; R68-D245 PolarHBondContact NH1-O 2.63Å
69M98.5Very high98Very high0 Ų046.4 Ų46.40%026%0.255CS..Hα-helixtrans-58.3-39.2177.1-68.4178.2-174.600112.5H65 L66 C101 I103 A247 A249 F297 I299H65-M69 HydrophobicContact CB-CE 4.41Å; H65-M69 VanDerWaalsContact O-CG 3.27Å; H65-M69 WeakPolarHBondContact O-CG 3.49Å; H65-M69 PolarHBondContact O-N 3.16Å; L66-M69 HydrophobicContact CD2-SD 4.37Å; L66-M69 PolarHBondContact O-N 2.89Å; M69-C101 WeakPolarHBondContact CE-SG 3.23Å; M69-I103 HydrophobicContact CE-CG2 4.33Å; M69-I103 HydrophobicContact SD-CG2 4.09Å; M69-A247 HydrophobicContact CE-CB 3.88Å; M69-A247 VanDerWaalsContact CE-O 3.26Å; M69-A247 WeakPolarHBondContact CE-O 3.38Å; M69-A247 HydrophobicContact CG-CB 4.05Å; M69-A249 HydrophobicContact CE-CB 3.65Å; M69-A249 HydrophobicContact SD-CB 4Å; M69-F297 HydrophobicContact CB-CE2 3.89Å; M69-I299 HydrophobicContact CB-CD1 3.93Å; M69-I299 HydrophobicContact CB-CG1 4.1Å; M69-I299 HydrophobicContact CG-CD1 4.13Å; M69-I299 HydrophobicContact SD-CD1 3.99Å
70A97.8Very high98.1Very high44 Ų4445.4 Ų45.436%0.36425%0.249SC..THydrogen-bonded Turntrans-88.23.1-179.700000114.2L66 K67 R68 G72 F297L66-A70 VanDerWaalsContact O-CB 3.3Å; L66-A70 WeakPolarHBondContact O-CB 3.39Å; L66-A70 PolarHBondContact O-N 3.46Å; K67-A70 PolarHBondContact O-N 2.83Å; R68-A70 VanDerWaalsContact C-N 3.28Å; R68-A70 PolarHBondContact O-N 2.85Å; A70-G72 VanDerWaalsContact C-N 3.25Å; A70-G72 PolarHBondContact O-N 3.38Å; A70-F297 HydrophobicContact CB-CB 4.2Å; A70-F297 HydrophobicContact CB-CD2 3.6Å; A70-F297 HydrophobicContact CB-CE2 4.07Å; A70-F297 HydrophobicContact CB-CG 3.88Å
71S97.6Very high98.2Very high75 Ų7543.3 Ų43.352%0.52424%0.237SC..SBendtrans-73.2-14.7-174.468.40000114.3K67 R68 E73K67-S71 WeakPolarHBondContact O-CB 3.38Å; K67-S71 PolarHBondContact O-N 3.39Å; K67-S71 VanDerWaalsContact O-N 3.1Å; R68-S71 VanDerWaalsContact O-CB 3.27Å; R68-S71 WeakPolarHBondContact O-CB 3.39Å; R68-S71 PolarHBondContact O-N 2.9Å; R68-S71 VanDerWaalsContact O-N 3.14Å; R68-S71 PolarHBondContact O-OG 3.16Å; S71-E73 VanDerWaalsContact C-N 3.33Å; S71-E73 VanDerWaalsContact OG-CB 3.31Å; S71-E73 WeakPolarHBondContact OG-CB 3.24Å; S71-E73 PolarHBondContact OG-N 2.9Å
72G95.5Very high98.2Very high43 Ų4339.7 Ų39.744%0.44322%0.215SC..  trans87-1.8-169.800000114.2A70 L74A70-G72 VanDerWaalsContact C-N 3.25Å; A70-G72 PolarHBondContact O-N 3.38Å; G72-L74 PolarHBondContact O-N 2.92Å
73E97.2Very high98.2Very high64 Ų6439.4 Ų39.430%0.29922%0.219SC..  trans-47.3132.8168.5-178-178.1165.700110.5R68 S71 F75R68-E73 VanDerWaalsContact CG-OE2 3.28Å; R68-E73 WeakPolarHBondContact CG-OE2 3.49Å; R68-E73 IonicContact CZ-OE1 3.23Å; R68-E73 IonicContact CZ-OE2 2.7Å; R68-E73 IonicContact NE-OE1 2.92Å; R68-E73 IonicContact NE-OE2 2.71Å; R68-E73 PolarHBondContact NE-OE2 2.89Å; R68-E73 IonicContact NH2-OE1 3.82Å; R68-E73 PolarHBondContact NH2-OE1 3.35Å; R68-E73 IonicContact NH2-OE2 3.85Å; S71-E73 VanDerWaalsContact C-N 3.33Å; S71-E73 VanDerWaalsContact OG-CB 3.31Å; S71-E73 WeakPolarHBondContact OG-CB 3.24Å; S71-E73 PolarHBondContact OG-N 2.9Å; E73-F75 HydrophobicContact CB-CE2 4.11Å; E73-F75 HydrophobicContact CB-CZ 4.42Å; E73-F75 HydrophobicContact CG-CE2 4.3Å; E73-F75 HydrophobicContact CG-CZ 4.36Å; E73-F75 PolarHBondContact O-N 3.16Å
74L98Very high98.2Very high90 Ų9034.9 Ų34.947%0.47120%0.195SC..EExtended strand (participates in β ladder)trans-88.2103.6171.9175.964.2000108.6G72 N300 R302G72-L74 PolarHBondContact O-N 2.92Å; L74-N300 HydrophobicContact CD1-CB 4Å; L74-R302 HydrophobicContact CD1-CG 4.25Å; L74-R302 HydrophobicContact CD2-CG 4.18Å; L74-R302 HydrophobicContact CG-CG 4.18Å
75F98.6Very high98.2Very high0 Ų031.4 Ų31.40%018%0.181CC..EExtended strand (participates in β ladder)trans-73.6154.6175.8-67.5-90.6000111.5R68 E73 C101 A247 I299 N300 A301 R302R68-F75 HydrophobicContact CG-CZ 4.11Å; E73-F75 HydrophobicContact CB-CE2 4.11Å; E73-F75 HydrophobicContact CB-CZ 4.42Å; E73-F75 HydrophobicContact CG-CE2 4.3Å; E73-F75 HydrophobicContact CG-CZ 4.36Å; E73-F75 PolarHBondContact O-N 3.16Å; F75-C101 HydrophobicContact CD1-CB 4.14Å; F75-C101 HydrophobicContact CE1-CB 4.33Å; F75-C101 HydrophobicContact CG-CB 4.22Å; F75-A247 HydrophobicContact CE1-CB 4.21Å; F75-A247 HydrophobicContact CZ-CB 4.38Å; F75-I299 HydrophobicContact CD2-CG2 3.94Å; F75-I299 HydrophobicContact CE2-CG2 4.23Å; F75-N300 PolarHBondContact N-O 3.29Å; F75-A301 HydrophobicContact CB-CB 4.3Å; F75-A301 CarbonylContact O-C 3.55Å; F75-A301 VanDerWaalsContact O-CA 3.23Å; F75-A301 WeakPolarHBondContact O-CA 3.1Å; F75-R302 PolarHBondContact O-N 2.88Å
76D98.7Very high98.2Very high31 Ų3131 Ų3117%0.16618%0.179CC..EExtended strand (participates in β ladder)trans-73.6-42.9170.4-65.2-57.5000110.6L98 S99 R302 C303 L475D76-L98 HydrophobicContact CB-CB 4.01Å; D76-L98 HydrophobicContact CB-CD2 4.08Å; D76-S99 WeakPolarHBondContact CB-O 3.35Å; D76-S99 VanDerWaalsContact CG-OG 3.24Å; D76-S99 PolarHBondContact N-O 3.15Å; D76-S99 PolarHBondContact N-OG 3.32Å; D76-S99 PolarHBondContact OD2-N 3.18Å; D76-S99 PolarHBondContact OD2-OG 3.08Å; D76-R302 IonicContact OD1-NE 3.26Å; D76-C303 WeakPolarHBondContact O-CB 3.46Å; D76-C303 PolarHBondContact O-N 2.92Å; D76-L475 HydrophobicContact CB-CD2 4.31Å
77V98.8Very high98.2Very high0 Ų030.2 Ų30.20%017%0.174CC..EExtended strand (participates in β ladder)trans-135.1127.5-174.9-175.30000110.9V79 A93 L98 S99 T100 C101 C303 I305 L475V77-V79 HydrophobicContact CG1-CG2 3.82Å; V77-A93 HydrophobicContact CB-CB 4.44Å; V77-A93 HydrophobicContact CG2-CB 4.21Å; V77-L98 HydrophobicContact CG2-CD1 4.14Å; V77-S99 PolarHBondContact N-O 3.4Å; V77-S99 VanDerWaalsContact N-O 3.1Å; V77-T100 HydrophobicContact CB-CG2 4.46Å; V77-T100 CarbonylContact O-C 3.57Å; V77-T100 WeakPolarHBondContact O-CA 3.13Å; V77-C101 PolarHBondContact O-N 3.34Å; V77-C303 CarbonylContact C-O 3.57Å; V77-C303 WeakPolarHBondContact CA-O 3.32Å; V77-I305 HydrophobicContact CG1-CD1 3.59Å; V77-I305 HydrophobicContact CG1-CG1 4.21Å; V77-L475 HydrophobicContact CG2-CD1 3.66Å
78L98.9Very high98.3Very high0 Ų023.1 Ų23.10%015%0.145CC..EExtended strand (participates in β ladder)trans-109.6119.7163.1169.461.6000109.2I80 C101 I103 A286 I299 A301 C303 V304 I305L78-I80 HydrophobicContact CG-CG1 4.39Å; L78-C101 CarbonylContact C-O 3.53Å; L78-C101 WeakPolarHBondContact CA-O 3.38Å; L78-C101 HydrophobicContact CD1-CB 3.88Å; L78-I103 HydrophobicContact CD1-CD1 4.2Å; L78-I103 HydrophobicContact CD1-CG1 4.17Å; L78-I103 HydrophobicContact CD1-CG2 4.25Å; L78-A286 HydrophobicContact CD2-CB 3.75Å; L78-I299 HydrophobicContact CD1-CD1 4.3Å; L78-I299 HydrophobicContact CD1-CG2 4.26Å; L78-I299 HydrophobicContact CD2-CB 4.25Å; L78-I299 HydrophobicContact CD2-CG2 4.21Å; L78-A301 HydrophobicContact CB-CB 3.56Å; L78-C303 PolarHBondContact N-O 3.15Å; L78-V304 HydrophobicContact CB-CG2 4.3Å; L78-V304 HydrophobicContact CD2-CG2 4.26Å; L78-V304 CarbonylContact O-C 3.47Å; L78-V304 WeakPolarHBondContact O-CA 3.4Å; L78-I305 PolarHBondContact O-N 3.28Å
79V98.9Very high98.3Very high0 Ų019.5 Ų19.50%013%0.131CC..EExtended strand (participates in β ladder)trans-101.9126.8175.3-171.60000109.5V77 V89 A90 C101 L102 I103 I305 A307V77-V79 HydrophobicContact CG1-CG2 3.82Å; V79-V89 HydrophobicContact CG1-CB 4.38Å; V79-V89 HydrophobicContact CG1-CG1 4.35Å; V79-V89 HydrophobicContact CG2-CB 4.3Å; V79-V89 HydrophobicContact CG2-CG1 3.62Å; V79-A90 HydrophobicContact CG2-CB 4.29Å; V79-C101 PolarHBondContact N-O 3.09Å; V79-L102 HydrophobicContact CB-CD1 3.78Å; V79-L102 HydrophobicContact CG1-CD1 3.75Å; V79-I103 PolarHBondContact O-N 3.39Å; V79-I305 WeakPolarHBondContact CA-O 3.13Å; V79-A307 HydrophobicContact CG1-CB 4.25Å
80I98.9Very high98.3Very high8 Ų819.5 Ų19.54%0.04113%0.131CC..EExtended strand (participates in β ladder)trans-105114.9176.7-50.3179.6000108.6L78 I103 A254 I257 V304 I305 A307 T308 I315L78-I80 HydrophobicContact CG-CG1 4.39Å; I80-I103 HydrophobicContact CB-CG1 4.45Å; I80-I103 HydrophobicContact CG1-CD1 4.17Å; I80-I103 HydrophobicContact CG1-CG1 4.29Å; I80-I103 HydrophobicContact CG2-CD1 4.43Å; I80-I103 HydrophobicContact CG2-CG1 4.36Å; I80-A254 HydrophobicContact CD1-CB 3.95Å; I80-A254 HydrophobicContact CG2-CB 3.92Å; I80-I257 HydrophobicContact CD1-CD1 3.86Å; I80-V304 HydrophobicContact CD1-CG1 3.68Å; I80-V304 HydrophobicContact CG1-CG1 4.14Å; I80-I305 PolarHBondContact N-O 2.97Å; I80-A307 CarbonylContact O-C 3.5Å; I80-A307 WeakPolarHBondContact O-CA 3.18Å; I80-A307 PolarHBondContact O-N 2.76Å; I80-T308 HydrophobicContact CB-CG2 4.31Å; I80-T308 HydrophobicContact CG2-CG2 3.7Å; I80-T308 VanDerWaalsContact O-CG2 3.32Å; I80-T308 WeakPolarHBondContact O-CG2 3.47Å; I80-I315 HydrophobicContact CD1-CG2 4.24Å; I80-I315 HydrophobicContact CG2-CD1 4.11Å; I80-I315 HydrophobicContact CG2-CG1 4.32Å
81G98.7Very high98.4Very high4 Ų417.6 Ų17.64%0.04112%0.115CC..  trans111.1113-17900000112.6G83 G86 L102 I103G81-G83 VanDerWaalsContact C-N 3.35Å; G81-G83 PolarHBondContact O-N 2.86Å; G81-G86 VanDerWaalsContact O-CA 3.31Å; G81-G86 WeakPolarHBondContact O-CA 3.36Å; G81-L102 WeakPolarHBondContact O-CD1 3.34Å; G81-I103 PolarHBondContact N-O 3.04Å
82G98.5Very high98.4Very high0 Ų014 Ų140%09%0.09CC..  trans-94.433.5179.400000114.3E104 A109G82-E104 WeakPolarHBondContact CA-OE2 3.38Å; G82-E104 PolarHBondContact N-OE2 3.33Å; G82-A109 PolarHBondContact O-N 3.1Å
83G98.3Very high98.6Very high16 Ų1612 Ų1217%0.1657%0.068CC..SBendtrans-79.9-179.7164.500000112.1G81 T85 G86 A87 S113G81-G83 VanDerWaalsContact C-N 3.35Å; G81-G83 PolarHBondContact O-N 2.86Å; G83-T85 VanDerWaalsContact C-N 3.3Å; G83-T85 PolarHBondContact O-N 2.69Å; G83-G86 PolarHBondContact O-N 3.38Å; G83-A87 VanDerWaalsContact O-CB 3.3Å; G83-A87 WeakPolarHBondContact O-CB 3.48Å; G83-A87 PolarHBondContact O-N 3.38Å; G83-S113 WeakPolarHBondContact CA-OG 3.26Å
84A98.1Very high98.6Very high3 Ų39.2 Ų9.23%0.0256%0.056CC..Hα-helixtrans-54.4-44.3-174.700000112.8G88 S113 C234 W455 Y458A84-G88 PolarHBondContact O-N 3.32Å; A84-S113 PolarHBondContact N-OG 2.9Å; A84-C234 PolarHBondContact N-SG 3.38Å; A84-C234 VanDerWaalsContact N-SG 3.38Å; A84-W455 HydrophobicContact CB-CD2 4.36Å; A84-W455 HydrophobicContact CB-CG 4.48Å; A84-W455 HydrophobicContact CB-CZ2 4.11Å; A84-Y458 WeakPolarHBondContact O-CD2 3.29Å
85T98Very high98.7Very high29 Ų295 Ų518%0.1784%0.035CC..Hα-helixtrans-63.1-52.6177.7-53.10000111.8G83 G88 V89 I450G83-T85 VanDerWaalsContact C-N 3.3Å; G83-T85 PolarHBondContact O-N 2.69Å; T85-G88 WeakPolarHBondContact O-CA 3.3Å; T85-G88 PolarHBondContact O-N 2.92Å; T85-V89 WeakPolarHBondContact O-CG2 3.33Å; T85-V89 PolarHBondContact O-N 3.49Å; T85-I450 HydrophobicContact CG2-CB 4.43Å; T85-I450 HydrophobicContact CG2-CG1 3.6Å; T85-I450 HydrophobicContact CG2-CG2 3.87Å
86G98.7Very high98.6Very high0 Ų05.6 Ų5.60%04%0.037CC..Hα-helixtrans-70-36.6-177.400000113.4G81 G83 G88 V89 A90G81-G86 VanDerWaalsContact O-CA 3.31Å; G81-G86 WeakPolarHBondContact O-CA 3.36Å; G83-G86 PolarHBondContact O-N 3.38Å; G86-G88 VanDerWaalsContact C-N 3.3Å; G86-G88 PolarHBondContact O-N 3.34Å; G86-V89 PolarHBondContact O-N 3Å; G86-A90 WeakPolarHBondContact O-CB 3.39Å; G86-A90 PolarHBondContact O-N 2.83Å
87A98.8Very high98.6Very high0 Ų06 Ų60%05%0.048CC..Hα-helixtrans-60.4-41.5169.300000111.2G83 A90 L91 L102 I237 A238G83-A87 VanDerWaalsContact O-CB 3.3Å; G83-A87 WeakPolarHBondContact O-CB 3.48Å; G83-A87 PolarHBondContact O-N 3.38Å; A87-A90 PolarHBondContact O-N 3.33Å; A87-L91 WeakPolarHBondContact O-CB 3.35Å; A87-L91 PolarHBondContact O-N 3.4Å; A87-L102 HydrophobicContact CB-CD2 4.5Å; A87-I237 VanDerWaalsContact C-CG2 3.43Å; A87-I237 HydrophobicContact CB-CB 4.19Å; A87-I237 HydrophobicContact CB-CG2 3.74Å; A87-I237 WeakPolarHBondContact O-CG2 3.29Å; A87-A238 HydrophobicContact CB-CB 4.14Å
88G98.8Very high98.6Very high3 Ų36.3 Ų6.33%0.0315%0.05CC..Hα-helixtrans-62.7-44.7174.700000113.1A84 T85 G86 A90 L91 D92 A462A84-G88 PolarHBondContact O-N 3.32Å; T85-G88 WeakPolarHBondContact O-CA 3.3Å; T85-G88 PolarHBondContact O-N 2.92Å; G86-G88 VanDerWaalsContact C-N 3.3Å; G86-G88 PolarHBondContact O-N 3.34Å; G88-A90 VanDerWaalsContact C-N 3.34Å; G88-L91 PolarHBondContact O-N 3.22Å; G88-D92 WeakPolarHBondContact O-CB 3.2Å; G88-D92 PolarHBondContact O-N 3.25Å; G88-A462 WeakPolarHBondContact O-CB 3.23Å
89V98.9Very high98.6Very high0 Ų07.6 Ų7.60%06%0.059CC..Hα-helixtrans-60.7-45.5175.6171.30000110.2V79 T85 G86 D92 A93 I305 A462 T465 V466V79-V89 HydrophobicContact CG1-CB 4.38Å; V79-V89 HydrophobicContact CG1-CG1 4.35Å; V79-V89 HydrophobicContact CG2-CB 4.3Å; V79-V89 HydrophobicContact CG2-CG1 3.62Å; T85-V89 WeakPolarHBondContact O-CG2 3.33Å; T85-V89 PolarHBondContact O-N 3.49Å; G86-V89 PolarHBondContact O-N 3Å; V89-D92 PolarHBondContact O-N 3.28Å; V89-A93 WeakPolarHBondContact O-CB 3.44Å; V89-A93 PolarHBondContact O-N 2.69Å; V89-I305 HydrophobicContact CG1-CD1 3.55Å; V89-I305 HydrophobicContact CG1-CG2 4.25Å; V89-A462 HydrophobicContact CB-CB 4.5Å; V89-A462 HydrophobicContact CG2-CB 3.96Å; V89-T465 HydrophobicContact CG2-CG2 4.16Å; V89-V466 HydrophobicContact CG1-CG2 3.94Å
90A98.9Very high98.6Very high0 Ų07.6 Ų7.60%06%0.059CC..Hα-helixtrans-62.9-43.8178.800000111.7V79 G86 A87 G88 A94 T100 L102 A241V79-A90 HydrophobicContact CG2-CB 4.29Å; G86-A90 WeakPolarHBondContact O-CB 3.39Å; G86-A90 PolarHBondContact O-N 2.83Å; A87-A90 PolarHBondContact O-N 3.33Å; G88-A90 VanDerWaalsContact C-N 3.34Å; A90-A94 WeakPolarHBondContact O-CB 3.5Å; A90-A94 PolarHBondContact O-N 3.28Å; A90-T100 HydrophobicContact CB-CG2 4.08Å; A90-L102 HydrophobicContact CB-CB 3.91Å; A90-L102 HydrophobicContact CB-CD1 4.36Å; A90-L102 HydrophobicContact CB-CD2 4.02Å; A90-L102 HydrophobicContact CB-CG 4.32Å; A90-A241 HydrophobicContact CB-CB 4.26Å
91L98.8Very high98.6Very high4 Ų47.2 Ų7.22%0.0216%0.057CC..Hα-helixtrans-61.9-47175.5174.357.4000111.5A87 G88 S95 I237 T240 A241 Y244 T483 L486 L488A87-L91 WeakPolarHBondContact O-CB 3.35Å; A87-L91 PolarHBondContact O-N 3.4Å; G88-L91 PolarHBondContact O-N 3.22Å; L91-S95 WeakPolarHBondContact O-CB 3.23Å; L91-S95 PolarHBondContact O-N 3.01Å; L91-S95 PolarHBondContact O-OG 3.35Å; L91-I237 HydrophobicContact CB-CG2 4.16Å; L91-I237 HydrophobicContact CD2-CG2 3.94Å; L91-T240 HydrophobicContact CD1-CG2 3.65Å; L91-T240 HydrophobicContact CD2-CG2 4.31Å; L91-A241 HydrophobicContact CB-CB 4.03Å; L91-A241 HydrophobicContact CD1-CB 4.49Å; L91-Y244 HydrophobicContact CD1-CD2 3.75Å; L91-Y244 HydrophobicContact CD1-CE2 4.18Å; L91-T483 HydrophobicContact CG-CG2 4.32Å; L91-L486 HydrophobicContact CD1-CD2 4.33Å; L91-L486 HydrophobicContact CD2-CD2 4.34Å; L91-L488 HydrophobicContact CD2-CD2 3.97Å
92D98.8Very high98.6Very high0 Ų07 Ų70%06%0.055CC..Hα-helixtrans-62.8-51.7-179.9-175.530.7000111.4G88 V89 A94 S95 R96 E463 V466 C481 T483G88-D92 WeakPolarHBondContact O-CB 3.2Å; G88-D92 PolarHBondContact O-N 3.25Å; V89-D92 PolarHBondContact O-N 3.28Å; D92-A94 PolarHBondContact O-N 3.41Å; D92-S95 PolarHBondContact O-N 3.17Å; D92-S95 VanDerWaalsContact O-N 3.16Å; D92-S95 PolarHBondContact O-OG 3.26Å; D92-R96 VanDerWaalsContact CG-NE 3.26Å; D92-R96 WeakPolarHBondContact O-CG 3.42Å; D92-R96 PolarHBondContact O-N 3.2Å; D92-R96 IonicContact OD1-CZ 2.72Å; D92-R96 IonicContact OD1-NE 4Å; D92-R96 PolarHBondContact OD1-NE 3.42Å; D92-R96 IonicContact OD1-NH2 3.4Å; D92-R96 IonicContact OD2-CZ 3.33Å; D92-R96 VanDerWaalsContact OD2-CZ 3.26Å; D92-R96 IonicContact OD2-NE 3.78Å; D92-R96 PolarHBondContact OD2-NE 3.35Å; D92-R96 VanDerWaalsContact OD2-NE 3.07Å; D92-R96 IonicContact OD2-NH2 2.69Å; D92-R96 PolarHBondContact OD2-NH2 2.99Å; D92-E463 WeakPolarHBondContact OD2-CA 3.3Å; D92-V466 HydrophobicContact CB-CG2 4.1Å; D92-V466 WeakPolarHBondContact OD2-CB 3.33Å; D92-C481 PolarHBondContact OD1-SG 2.77Å; D92-C481 VanDerWaalsContact OD1-SG 3.32Å; D92-T483 HydrophobicContact CB-CG2 3.7Å
93A98.8Very high98.6Very high0 Ų07.1 Ų7.10%06%0.055CC..Hα-helixtrans-56.6-50.1178.400000112.1V77 V89 S95 R96 G97 L98 T100 V466V77-A93 HydrophobicContact CB-CB 4.44Å; V77-A93 HydrophobicContact CG2-CB 4.21Å; V89-A93 WeakPolarHBondContact O-CB 3.44Å; V89-A93 PolarHBondContact O-N 2.69Å; A93-S95 VanDerWaalsContact C-N 3.33Å; A93-S95 PolarHBondContact O-N 3.22Å; A93-R96 PolarHBondContact O-N 3.49Å; A93-R96 VanDerWaalsContact O-N 3.12Å; A93-G97 PolarHBondContact O-N 2.89Å; A93-L98 HydrophobicContact CB-CB 4.4Å; A93-L98 HydrophobicContact CB-CD1 4.17Å; A93-L98 WeakPolarHBondContact O-CB 3.18Å; A93-L98 PolarHBondContact O-N 2.59Å; A93-L98 VanDerWaalsContact O-N 3.1Å; A93-T100 HydrophobicContact CB-CG2 4.15Å; A93-T100 WeakPolarHBondContact CB-OG1 3.5Å; A93-V466 HydrophobicContact CB-CG1 4.43Å; A93-V466 HydrophobicContact CB-CG2 4.15Å
94A98.7Very high98.6Very high5 Ų57.6 Ų7.64%0.0415%0.053CC..Hα-helixtrans-62.4-40.6177.800000111.9A90 D92 R96 G97 T100 A246A90-A94 WeakPolarHBondContact O-CB 3.5Å; A90-A94 PolarHBondContact O-N 3.28Å; D92-A94 PolarHBondContact O-N 3.41Å; A94-R96 PolarHBondContact O-N 3.39Å; A94-G97 PolarHBondContact O-N 3.27Å; A94-T100 PolarHBondContact N-OG1 2.61Å; A94-A246 HydrophobicContact CB-CB 3.89Å
95S98.1Very high98.7Very high3 Ų310.3 Ų10.32%0.0216%0.063CC..Hα-helixtrans-65-27.7177.184.30000112.3L91 D92 A93 G97 R482L91-S95 WeakPolarHBondContact O-CB 3.23Å; L91-S95 PolarHBondContact O-N 3.01Å; L91-S95 PolarHBondContact O-OG 3.35Å; D92-S95 PolarHBondContact O-N 3.17Å; D92-S95 VanDerWaalsContact O-N 3.16Å; D92-S95 PolarHBondContact O-OG 3.26Å; A93-S95 VanDerWaalsContact C-N 3.33Å; A93-S95 PolarHBondContact O-N 3.22Å; S95-G97 PolarHBondContact O-N 3.06Å; S95-R482 PolarHBondContact O-NE 2.56Å; S95-R482 PolarHBondContact O-NH2 3.05Å
96R98.5Very high98.6Very high12 Ų1210.7 Ų10.75%0.0456%0.064CC..THydrogen-bonded Turntrans-79.5-0.4173.4-65.6173.9-169.3-139.318.8113.5D92 A93 A94 E463 D467 P477 T478 G479D92-R96 VanDerWaalsContact CG-NE 3.26Å; D92-R96 WeakPolarHBondContact O-CG 3.42Å; D92-R96 PolarHBondContact O-N 3.2Å; D92-R96 IonicContact OD1-CZ 2.72Å; D92-R96 IonicContact OD1-NE 4Å; D92-R96 PolarHBondContact OD1-NE 3.42Å; D92-R96 IonicContact OD1-NH2 3.4Å; D92-R96 IonicContact OD2-CZ 3.33Å; D92-R96 VanDerWaalsContact OD2-CZ 3.26Å; D92-R96 IonicContact OD2-NE 3.78Å; D92-R96 PolarHBondContact OD2-NE 3.35Å; D92-R96 VanDerWaalsContact OD2-NE 3.07Å; D92-R96 IonicContact OD2-NH2 2.69Å; D92-R96 PolarHBondContact OD2-NH2 2.99Å; A93-R96 PolarHBondContact O-N 3.49Å; A93-R96 VanDerWaalsContact O-N 3.12Å; A94-R96 PolarHBondContact O-N 3.39Å; R96-E463 PolarHBondContact NH2-O 3.33Å; R96-D467 IonicContact CZ-OD1 3.4Å; R96-D467 VanDerWaalsContact CZ-OD1 3.27Å; R96-D467 IonicContact NH1-OD1 3.39Å; R96-D467 PolarHBondContact NH1-OD1 2.88Å; R96-D467 IonicContact NH2-OD1 2.83Å; R96-D467 PolarHBondContact NH2-OD1 2.72Å; R96-P477 HydrophobicContact CB-CB 3.89Å; R96-T478 PolarHBondContact O-N 2.84Å; R96-T478 PolarHBondContact O-OG1 2.73Å; R96-G479 PolarHBondContact O-N 3.17Å
97G98.2Very high98.6Very high39 Ų3910.7 Ų10.740%0.4026%0.064SC..THydrogen-bonded Turntrans83.916.7-178.900000114.3A93 A94 S95A93-G97 PolarHBondContact O-N 2.89Å; A94-G97 PolarHBondContact O-N 3.27Å; S95-G97 PolarHBondContact O-N 3.06Å
98L98.7Very high98.6Very high6 Ų610.8 Ų10.83%0.0316%0.064CC..  trans-81.6134.9173.8-61.9170.9000109.9D76 V77 A93 T100 V466 I470 L475 P477D76-L98 HydrophobicContact CB-CB 4.01Å; D76-L98 HydrophobicContact CB-CD2 4.08Å; V77-L98 HydrophobicContact CG2-CD1 4.14Å; A93-L98 HydrophobicContact CB-CB 4.4Å; A93-L98 HydrophobicContact CB-CD1 4.17Å; A93-L98 WeakPolarHBondContact O-CB 3.18Å; A93-L98 PolarHBondContact O-N 2.59Å; A93-L98 VanDerWaalsContact O-N 3.1Å; L98-T100 PolarHBondContact O-N 3.48Å; L98-T100 VanDerWaalsContact O-N 3.09Å; L98-T100 PolarHBondContact O-OG1 3.42Å; L98-V466 HydrophobicContact CD1-CG1 4.31Å; L98-I470 HydrophobicContact CD1-CG1 4.46Å; L98-L475 HydrophobicContact CD1-CD1 4.24Å; L98-L475 HydrophobicContact CD2-CB 4.06Å; L98-P477 HydrophobicContact CD2-CB 4.17Å; L98-P477 HydrophobicContact CG-CB 4.26Å
99S98.7Very high98.6Very high27 Ų2710.7 Ų10.719%0.1896%0.063CC..  trans-64.5111.6171.4580000109.3D76 V77D76-S99 WeakPolarHBondContact CB-O 3.35Å; D76-S99 VanDerWaalsContact CG-OG 3.24Å; D76-S99 PolarHBondContact N-O 3.15Å; D76-S99 PolarHBondContact N-OG 3.32Å; D76-S99 PolarHBondContact OD2-N 3.18Å; D76-S99 PolarHBondContact OD2-OG 3.08Å; V77-S99 PolarHBondContact N-O 3.4Å; V77-S99 VanDerWaalsContact N-O 3.1Å
100T98.9Very high98.5Very high1 Ų111.1 Ų11.11%0.0067%0.066CC..EExtended strand (participates in β ladder)trans-123.3137.3-165.6-58.40000111.4V77 A90 A93 A94 L98 A246 A247V77-T100 HydrophobicContact CB-CG2 4.46Å; V77-T100 CarbonylContact O-C 3.57Å; V77-T100 WeakPolarHBondContact O-CA 3.13Å; A90-T100 HydrophobicContact CB-CG2 4.08Å; A93-T100 HydrophobicContact CB-CG2 4.15Å; A93-T100 WeakPolarHBondContact CB-OG1 3.5Å; A94-T100 PolarHBondContact N-OG1 2.61Å; L98-T100 PolarHBondContact O-N 3.48Å; L98-T100 VanDerWaalsContact O-N 3.09Å; L98-T100 PolarHBondContact O-OG1 3.42Å; T100-A246 HydrophobicContact CG2-CB 4.45Å; T100-A246 WeakPolarHBondContact O-CA 3.3Å; T100-A247 PolarHBondContact O-N 3.13Å
101C98.7Very high98.3Very high0 Ų012.9 Ų12.90%08%0.084CC..EExtended strand (participates in β ladder)trans-119.2135.2172.2-177.80000110M69 F75 V77 L78 V79 A247 I299M69-C101 WeakPolarHBondContact CE-SG 3.23Å; F75-C101 HydrophobicContact CD1-CB 4.14Å; F75-C101 HydrophobicContact CE1-CB 4.33Å; F75-C101 HydrophobicContact CG-CB 4.22Å; V77-C101 PolarHBondContact O-N 3.34Å; L78-C101 CarbonylContact C-O 3.53Å; L78-C101 WeakPolarHBondContact CA-O 3.38Å; L78-C101 HydrophobicContact CD1-CB 3.88Å; V79-C101 PolarHBondContact N-O 3.09Å; C101-A247 CarbonylContact C-O 3.44Å; C101-A247 VanDerWaalsContact CA-O 3.26Å; C101-A247 WeakPolarHBondContact CA-O 3.41Å; C101-I299 HydrophobicContact CB-CG2 4.42Å
102L98.9Very high98.1Very high0 Ų014.8 Ų14.80%010%0.096CC..EExtended strand (participates in β ladder)trans-123.5123.5172.2174.665.4000109.7V79 G81 A87 A90 F108 A238 A247 I248 A249V79-L102 HydrophobicContact CB-CD1 3.78Å; V79-L102 HydrophobicContact CG1-CD1 3.75Å; G81-L102 WeakPolarHBondContact O-CD1 3.34Å; A87-L102 HydrophobicContact CB-CD2 4.5Å; A90-L102 HydrophobicContact CB-CB 3.91Å; A90-L102 HydrophobicContact CB-CD1 4.36Å; A90-L102 HydrophobicContact CB-CD2 4.02Å; A90-L102 HydrophobicContact CB-CG 4.32Å; L102-F108 HydrophobicContact CD2-CD1 4.47Å; L102-F108 HydrophobicContact CD2-CE1 3.9Å; L102-F108 HydrophobicContact CG-CE1 4.31Å; L102-A238 HydrophobicContact CD2-CB 4.32Å; L102-A247 PolarHBondContact N-O 3.06Å; L102-I248 HydrophobicContact CB-CB 4.25Å; L102-I248 HydrophobicContact CB-CG2 3.86Å; L102-I248 HydrophobicContact CD2-CG2 4.26Å; L102-I248 WeakPolarHBondContact O-CA 3.38Å; L102-A249 PolarHBondContact O-N 3.31Å
103I98.9Very high98Very high1 Ų115.5 Ų15.51%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-117.5140.3174.863.4175.9000111M69 L78 V79 I80 G81 A249 V252 A254 V288 I299M69-I103 HydrophobicContact CE-CG2 4.33Å; M69-I103 HydrophobicContact SD-CG2 4.09Å; L78-I103 HydrophobicContact CD1-CD1 4.2Å; L78-I103 HydrophobicContact CD1-CG1 4.17Å; L78-I103 HydrophobicContact CD1-CG2 4.25Å; V79-I103 PolarHBondContact O-N 3.39Å; I80-I103 HydrophobicContact CB-CG1 4.45Å; I80-I103 HydrophobicContact CG1-CD1 4.17Å; I80-I103 HydrophobicContact CG1-CG1 4.29Å; I80-I103 HydrophobicContact CG2-CD1 4.43Å; I80-I103 HydrophobicContact CG2-CG1 4.36Å; G81-I103 PolarHBondContact N-O 3.04Å; I103-A249 WeakPolarHBondContact CA-O 3.29Å; I103-V252 HydrophobicContact CB-CB 4.02Å; I103-V252 HydrophobicContact CB-CG1 3.94Å; I103-V252 HydrophobicContact CD1-CG1 4.49Å; I103-V252 HydrophobicContact CG2-CB 4.09Å; I103-V252 HydrophobicContact CG2-CG1 3.68Å; I103-A254 HydrophobicContact CD1-CB 4.1Å; I103-V288 HydrophobicContact CD1-CG1 3.56Å; I103-I299 HydrophobicContact CG2-CD1 3.83Å
104E98.8Very high97.9Very high26 Ų2615.6 Ų15.612%0.12110%0.101CC..  trans-130.1130.7174.6173.444.9-11000109.1G82 L106 D107 F108 A249 N250 Y251 V252G82-E104 WeakPolarHBondContact CA-OE2 3.38Å; G82-E104 PolarHBondContact N-OE2 3.33Å; E104-L106 VanDerWaalsContact C-N 3.34Å; E104-L106 WeakPolarHBondContact CG-O 3.46Å; E104-L106 PolarHBondContact O-N 2.89Å; E104-L106 PolarHBondContact OE1-N 3.06Å; E104-D107 WeakPolarHBondContact CG-O 3.28Å; E104-F108 HydrophobicContact CB-CD1 4.2Å; E104-F108 HydrophobicContact CB-CE1 4.26Å; E104-A249 PolarHBondContact N-O 3.38Å; E104-N250 CarbonylContact O-C 2.91Å; E104-Y251 CarbonylContact O-C 3.38Å; E104-Y251 WeakPolarHBondContact O-CA 3.41Å; E104-Y251 PolarHBondContact O-N 3.37Å; E104-V252 CarbonylContact C-O 3.58Å; E104-V252 VanDerWaalsContact C-O 3.28Å; E104-V252 PolarHBondContact O-N 2.7Å
105R98.2Very high97.7Very high60 Ų6016.2 Ų16.223%0.22610%0.103CC..SBendtrans-67.3-33.2-175.2176.5173.659.6130.24.7112.7V252 E253 R291 D381R105-V252 PolarHBondContact N-O 3.07Å; R105-E253 HydrophobicContact CB-CB 4.46Å; R105-E253 WeakPolarHBondContact CD-OE1 3.3Å; R105-E253 HydrophobicContact CG-CB 3.98Å; R105-E253 HydrophobicContact CG-CG 3.97Å; R105-R291 WeakPolarHBondContact O-CD 3.46Å; R105-D381 IonicContact CZ-OD1 2.91Å; R105-D381 IonicContact CZ-OD2 3.5Å; R105-D381 IonicContact NH1-OD1 3.63Å; R105-D381 PolarHBondContact NH1-OD1 3.49Å; R105-D381 IonicContact NH1-OD2 3.37Å; R105-D381 PolarHBondContact NH1-OD2 2.91Å; R105-D381 IonicContact NH2-OD1 3.6Å; R105-D381 PolarHBondContact NH2-OD1 3.48Å; R105-D381 IonicContact NH2-OD2 2.93Å
106L97.8Very high97.5Very high38 Ų3817.2 Ų17.220%0.19911%0.11CC..SBendtrans-113.6-139.7174.8-62178.7000108.6E104 S110 N250 Y251E104-L106 VanDerWaalsContact C-N 3.34Å; E104-L106 WeakPolarHBondContact CG-O 3.46Å; E104-L106 PolarHBondContact O-N 2.89Å; E104-L106 PolarHBondContact OE1-N 3.06Å; L106-S110 WeakPolarHBondContact CB-OG 3.22Å; L106-N250 CarbonylContact O-C 3.59Å; L106-N250 VanDerWaalsContact O-CB 3.3Å; L106-N250 WeakPolarHBondContact O-CB 3.38Å; L106-Y251 PolarHBondContact O-N 3.47Å
107D98.5Very high97.3Very high0 Ų017.9 Ų17.90%012%0.115CC..SBendtrans-88.1156.9171.1-171.429.2000112.2E104 A109 S110 N250 Y251 D569 R573 R574E104-D107 WeakPolarHBondContact CG-O 3.28Å; D107-A109 PolarHBondContact O-N 2.92Å; D107-S110 WeakPolarHBondContact O-CB 3.46Å; D107-S110 PolarHBondContact O-N 2.85Å; D107-S110 VanDerWaalsContact O-N 3.09Å; D107-S110 PolarHBondContact O-OG 2.77Å; D107-N250 PolarHBondContact OD1-ND2 3.09Å; D107-Y251 HydrophobicContact CB-CE2 4.04Å; D107-D569 WeakPolarHBondContact CB-OD1 3.43Å; D107-D569 WeakPolarHBondContact OD2-CB 3.41Å; D107-R573 WeakPolarHBondContact OD2-CD 3.35Å; D107-R573 IonicContact OD2-CZ 3.19Å; D107-R573 IonicContact OD2-NE 2.74Å; D107-R573 PolarHBondContact OD2-NE 2.71Å; D107-R573 IonicContact OD2-NH2 2.76Å; D107-R574 IonicContact OD1-NH1 2.72Å; D107-R574 IonicContact OD1-NH2 3.8Å; D107-R574 PolarHBondContact OD1-NH2 3.31Å; D107-R574 IonicContact OD2-CZ 3.68Å; D107-R574 IonicContact OD2-NH1 2.77Å; D107-R574 PolarHBondContact OD2-NH1 3.03Å; D107-R574 IonicContact OD2-NH2 3.64Å; D107-R574 PolarHBondContact OD2-NH2 3.14Å
108F98.7Very high97.2Very high2 Ų216 Ų161%0.00910%0.096CC..THydrogen-bonded Turntrans-54138.2175.1-64.3-66.6000110.4L102 E104 S110 L235 A238 I248 N250 Y563 R573L102-F108 HydrophobicContact CD2-CD1 4.47Å; L102-F108 HydrophobicContact CD2-CE1 3.9Å; L102-F108 HydrophobicContact CG-CE1 4.31Å; E104-F108 HydrophobicContact CB-CD1 4.2Å; E104-F108 HydrophobicContact CB-CE1 4.26Å; F108-S110 PolarHBondContact O-N 2.88Å; F108-S110 VanDerWaalsContact O-N 3.13Å; F108-L235 HydrophobicContact CB-CD1 4.27Å; F108-L235 HydrophobicContact CD2-CD1 4.05Å; F108-L235 HydrophobicContact CG-CD1 4.45Å; F108-A238 HydrophobicContact CD1-CB 4.21Å; F108-A238 HydrophobicContact CE1-CB 4.4Å; F108-A238 HydrophobicContact CG-CB 4.49Å; F108-I248 HydrophobicContact CE2-CD1 4.42Å; F108-I248 HydrophobicContact CZ-CB 4.04Å; F108-I248 HydrophobicContact CZ-CD1 4.11Å; F108-I248 HydrophobicContact CZ-CG1 4.08Å; F108-N250 HydrophobicContact CD2-CB 3.95Å; F108-N250 HydrophobicContact CE2-CB 3.79Å; F108-N250 HydrophobicContact CG-CB 4.44Å; F108-N250 HydrophobicContact CZ-CB 4.15Å; F108-Y563 AromaticContact CE2-CD2 3.93Å; F108-Y563 HydrophobicContact CE2-CD2 3.93Å; F108-Y563 HydrophobicContact CE2-CG 4.43Å; F108-R573 WeakPolarHBondContact O-CD 3.42Å
109A97.9Very high97Very high1 Ų116.7 Ų16.71%0.00810%0.1CC..THydrogen-bonded Turntrans634.4-176.500000117.1G82 D107 G111 S114 A231 C234G82-A109 PolarHBondContact O-N 3.1Å; D107-A109 PolarHBondContact O-N 2.92Å; A109-G111 VanDerWaalsContact C-N 3.3Å; A109-G111 PolarHBondContact O-N 2.95Å; A109-S114 WeakPolarHBondContact O-CB 2.87Å; A109-S114 PolarHBondContact O-N 3.21Å; A109-S114 PolarHBondContact O-OG 2.96Å; A109-A231 HydrophobicContact CB-CB 4.48Å; A109-C234 HydrophobicContact CB-CB 3.6Å; A109-C234 VanDerWaalsContact CB-SG 3.6Å
110S96.7Very high96.7Very high9 Ų915.4 Ų15.46%0.0639%0.091CC..THydrogen-bonded Turntrans-61.3-28.6-172.957.20000115.8L106 D107 F108L106-S110 WeakPolarHBondContact CB-OG 3.22Å; D107-S110 WeakPolarHBondContact O-CB 3.46Å; D107-S110 PolarHBondContact O-N 2.85Å; D107-S110 VanDerWaalsContact O-N 3.09Å; D107-S110 PolarHBondContact O-OG 2.77Å; F108-S110 PolarHBondContact O-N 2.88Å; F108-S110 VanDerWaalsContact O-N 3.13Å
111G94.7Very high96.1Very high36 Ų3617.2 Ų17.237%0.37110%0.099SC..THydrogen-bonded Turntrans-80.3-136.6174.800000113.7A109 S113 S114A109-G111 VanDerWaalsContact C-N 3.3Å; A109-G111 PolarHBondContact O-N 2.95Å; G111-S113 PolarHBondContact O-N 3.1Å; G111-S113 VanDerWaalsContact O-N 3.09Å; G111-S114 PolarHBondContact O-N 3.43Å; G111-S114 PolarHBondContact O-OG 3.37Å
112T94.7Very high95.2Very high45 Ų4517.2 Ų17.228%0.27610%0.099SC..G310 helixtrans-53.9-33.1-176.4-49.10000114.1S114 R115 P310 I419T112-S114 VanDerWaalsContact C-N 3.26Å; T112-S114 PolarHBondContact O-N 2.79Å; T112-R115 PolarHBondContact O-N 3.22Å; T112-R115 VanDerWaalsContact O-N 3.17Å; T112-P310 WeakPolarHBondContact OG1-CD 3.45Å; T112-P310 WeakPolarHBondContact OG1-CG 3.35Å; T112-I419 WeakPolarHBondContact CB-O 3.3Å; T112-I419 WeakPolarHBondContact CG2-O 3.4Å; T112-I419 PolarHBondContact OG1-O 2.72Å
113S96.5Very high94.1Very high15 Ų1517.2 Ų17.211%0.10510%0.099CC..G310 helixtrans-69.4-16.9-169.1-62.10000115G83 A84 G111 D230 W455G83-S113 WeakPolarHBondContact CA-OG 3.26Å; A84-S113 PolarHBondContact N-OG 2.9Å; G111-S113 PolarHBondContact O-N 3.1Å; G111-S113 VanDerWaalsContact O-N 3.09Å; S113-D230 WeakPolarHBondContact O-CB 3.36Å; S113-W455 PolarHBondContact O-NE1 2.95Å
114S96.5Very high92.9Very high1 Ų118.5 Ų18.51%0.00711%0.107CC..G310 helixtrans-107.4-0.9175.563.60000114A109 G111 T112 K118 D230 R576A109-S114 WeakPolarHBondContact O-CB 2.87Å; A109-S114 PolarHBondContact O-N 3.21Å; A109-S114 PolarHBondContact O-OG 2.96Å; G111-S114 PolarHBondContact O-N 3.43Å; G111-S114 PolarHBondContact O-OG 3.37Å; T112-S114 VanDerWaalsContact C-N 3.26Å; T112-S114 PolarHBondContact O-N 2.79Å; S114-K118 PolarHBondContact O-NZ 2.77Å; S114-D230 VanDerWaalsContact C-OD2 3.23Å; S114-R576 PolarHBondContact O-NH2 3.17Å
115R95.7Very high91.5Very high18 Ų1823.6 Ų23.67%0.06813%0.125CC..SBendtrans-117.738.3-174.3-53.8-166-162.1-158.1-0.1111.6T112 P383 A417 F579 E621T112-R115 PolarHBondContact O-N 3.22Å; T112-R115 VanDerWaalsContact O-N 3.17Å; R115-P383 VanDerWaalsContact NH1-CG 3.29Å; R115-P383 PolarHBondContact NH1-O 2.97Å; R115-A417 WeakPolarHBondContact CD-O 3.35Å; R115-A417 PolarHBondContact NH1-O 3.18Å; R115-F579 HydrophobicContact CG-CE1 4.48Å; R115-F579 HydrophobicContact CG-CZ 4.34Å; R115-E621 IonicContact CZ-OE2 3.43Å; R115-E621 VanDerWaalsContact CZ-OE2 3.28Å; R115-E621 IonicContact NH1-OE2 3.79Å; R115-E621 PolarHBondContact NH1-OE2 3.45Å; R115-E621 IonicContact NH2-OE2 3.9Å; R115-E621 PolarHBondContact NH2-OE2 3.28Å
116S93.5Very high90Very high24 Ų2423.8 Ų23.817%0.16813%0.126CC..SBendtrans-91.9171.7177.378.80000112.4K118 D230S116-K118 PolarHBondContact O-N 2.96Å; S116-K118 VanDerWaalsContact O-N 3.1Å; S116-K118 PolarHBondContact O-NZ 2.83Å; S116-K118 WeakPolarHBondContact OG-CA 3.46Å; S116-K118 PolarHBondContact OG-N 2.84Å; S116-D230 WeakPolarHBondContact CB-OD2 3.45Å; S116-D230 PolarHBondContact N-OD2 2.66Å; S116-D230 VanDerWaalsContact N-OD2 3.14Å; S116-D230 PolarHBondContact OG-OD2 2.74Å
117T93.7Very high88.7Confident27 Ų2722.1 Ų22.117%0.16612%0.118CC..  trans-69.77.7166.7-40.70000112.7L119 H334 F360 L362 L369T117-L119 HydrophobicContact CG2-CD1 4.44Å; T117-L119 PolarHBondContact O-N 2.85Å; T117-H334 PolarHBondContact OG1-NE2 3.1Å; T117-F360 HydrophobicContact CG2-CB 4.21Å; T117-F360 HydrophobicContact CG2-CD2 4.44Å; T117-L362 HydrophobicContact CG2-CD1 3.83Å; T117-L362 VanDerWaalsContact O-CD1 3.26Å; T117-L362 WeakPolarHBondContact O-CD1 3.09Å; T117-L369 HydrophobicContact CG2-CD2 4.01Å
118K95.8Very high87.4Confident0 Ų026.4 Ų26.40%014%0.138CC..SBendtrans63.77.1179.6-49.3-67.6174.5-87.80114.8S114 S116 Q227 Q228 D230 W364 L369S114-K118 PolarHBondContact O-NZ 2.77Å; S116-K118 PolarHBondContact O-N 2.96Å; S116-K118 VanDerWaalsContact O-N 3.1Å; S116-K118 PolarHBondContact O-NZ 2.83Å; S116-K118 WeakPolarHBondContact OG-CA 3.46Å; S116-K118 PolarHBondContact OG-N 2.84Å; K118-Q227 HydrophobicContact CB-CG 4.38Å; K118-Q227 CarbonylContact O-C 3.49Å; K118-Q227 VanDerWaalsContact O-CA 3.3Å; K118-Q227 WeakPolarHBondContact O-CA 3.46Å; K118-Q227 WeakPolarHBondContact O-CG 3.17Å; K118-Q228 PolarHBondContact O-N 3.27Å; K118-D230 HydrophobicContact CD-CB 4.24Å; K118-D230 VanDerWaalsContact CD-CG 3.46Å; K118-D230 WeakPolarHBondContact CD-OD1 3.35Å; K118-D230 WeakPolarHBondContact CD-OD2 3.24Å; K118-D230 WeakPolarHBondContact CE-OD1 3.23Å; K118-D230 WeakPolarHBondContact CE-OD2 3.37Å; K118-D230 IonicContact NZ-OD1 2.9Å; K118-D230 PolarHBondContact NZ-OD1 2.95Å; K118-D230 IonicContact NZ-OD2 2.69Å; K118-D230 PolarHBondContact NZ-OD2 2.99Å; K118-W364 HydrophobicContact CD-CZ2 3.84Å; K118-W364 HydrophobicContact CG-CD2 4.09Å; K118-W364 HydrophobicContact CG-CG 4.21Å; K118-W364 HydrophobicContact CG-CZ2 4.31Å; K118-L369 HydrophobicContact CB-CD1 4.46Å; K118-L369 HydrophobicContact CG-CD1 3.64Å
119L94.7Very high86Confident20 Ų2032 Ų3211%0.10516%0.162CC..EExtended strand (participates in β ladder)trans-89.6142.8176.5-67.5177.4000111.7T117 L163 I165 G226 F360 L362T117-L119 HydrophobicContact CG2-CD1 4.44Å; T117-L119 PolarHBondContact O-N 2.85Å; L119-L163 HydrophobicContact CD2-CD2 3.89Å; L119-I165 HydrophobicContact CD1-CD1 4.41Å; L119-I165 HydrophobicContact CD2-CD1 4.15Å; L119-G226 CarbonylContact C-O 3.51Å; L119-G226 WeakPolarHBondContact CA-O 3.33Å; L119-G226 WeakPolarHBondContact CD2-O 3.05Å; L119-F360 HydrophobicContact CD1-CD1 3.74Å; L119-F360 HydrophobicContact CD1-CD2 4.5Å; L119-F360 HydrophobicContact CD1-CE1 3.74Å; L119-F360 HydrophobicContact CD1-CG 4.12Å; L119-F360 HydrophobicContact CD1-CZ 4.16Å; L119-L362 HydrophobicContact CD1-CD1 3.83Å; L119-L362 HydrophobicContact CD1-CD2 4.5Å; L119-L362 HydrophobicContact CD2-CD1 3.66Å; L119-L362 HydrophobicContact CD2-CD2 4.23Å; L119-L362 HydrophobicContact CG-CD1 3.52Å
120I93.3Very high84.6Confident0 Ų032.2 Ų32.20%016%0.164CC..EExtended strand (participates in β ladder)trans-99.282.2164.1-52.4163.8000106.8G122 R149 L152 I153 A160 G226 Q228 T456I120-G122 PolarHBondContact O-N 2.86Å; I120-R149 HydrophobicContact CB-CG 4.14Å; I120-R149 HydrophobicContact CG2-CB 3.79Å; I120-R149 HydrophobicContact CG2-CG 3.71Å; I120-R149 WeakPolarHBondContact O-CD 3.36Å; I120-R149 WeakPolarHBondContact O-CG 3.37Å; I120-L152 HydrophobicContact CD1-CB 4.05Å; I120-L152 HydrophobicContact CD1-CD1 4.43Å; I120-L152 HydrophobicContact CG1-CD1 4.42Å; I120-L152 HydrophobicContact CG2-CB 4.39Å; I120-L152 HydrophobicContact CG2-CD1 3.52Å; I120-I153 HydrophobicContact CD1-CG1 4.33Å; I120-A160 HydrophobicContact CD1-CB 3.55Å; I120-G226 PolarHBondContact N-O 3.05Å; I120-G226 PolarHBondContact O-N 3.08Å; I120-Q228 HydrophobicContact CD1-CB 3.77Å; I120-Q228 HydrophobicContact CD1-CG 4.25Å; I120-Q228 HydrophobicContact CG1-CB 3.87Å; I120-Q228 HydrophobicContact CG1-CG 3.77Å; I120-T456 HydrophobicContact CG2-CG2 3.51Å
121H86.4Confident83.5Confident38 Ų3835.2 Ų35.218%0.17618%0.178CC..  trans-71.4125.5-168-169.649.4000112.7G123 V124 D225 T456H121-G123 VanDerWaalsContact C-N 3.31Å; H121-G123 PolarHBondContact CD2-N 3.2Å; H121-G123 VanDerWaalsContact CD2-N 3.31Å; H121-G123 VanDerWaalsContact NE2-CA 3.34Å; H121-G123 WeakPolarHBondContact NE2-CA 3.43Å; H121-G123 PolarHBondContact NE2-N 3.31Å; H121-G123 PolarHBondContact O-N 3.39Å; H121-V124 PolarHBondContact NE2-N 3.46Å; H121-D225 WeakPolarHBondContact CA-OD2 3.45Å; H121-D225 IonicContact CE1-OD2 3.83Å; H121-D225 IonicContact CG-OD2 3.16Å; H121-D225 IonicContact ND1-OD2 3.89Å; H121-D225 PolarHBondContact ND1-OD2 3.39Å; H121-T456 PolarHBondContact N-OG1 3.49Å; H121-T456 PolarHBondContact O-OG1 3.32Å
122G79.2Confident82.5Confident0 Ų039.6 Ų39.60%019%0.188CC..  trans-85.69.7173.800000115I120 Y185 D225I120-G122 PolarHBondContact O-N 2.86Å; G122-Y185 WeakPolarHBondContact CA-OH 3.34Å; G122-Y185 PolarHBondContact O-OH 3.32Å; G122-D225 PolarHBondContact N-OD1 3.32Å
123G76.4Confident81.6Confident1 Ų142.7 Ų42.71%0.0120%0.202CC..  trans84.425.8166.700000117.2H121 R125 Y126 L127H121-G123 VanDerWaalsContact C-N 3.31Å; H121-G123 PolarHBondContact CD2-N 3.2Å; H121-G123 VanDerWaalsContact CD2-N 3.31Å; H121-G123 VanDerWaalsContact NE2-CA 3.34Å; H121-G123 WeakPolarHBondContact NE2-CA 3.43Å; H121-G123 PolarHBondContact NE2-N 3.31Å; H121-G123 PolarHBondContact O-N 3.39Å; G123-R125 PolarHBondContact O-N 2.81Å; G123-Y126 WeakPolarHBondContact O-CB 3.47Å; G123-Y126 PolarHBondContact O-N 3.02Å; G123-L127 PolarHBondContact O-N 3.47Å; G123-L127 VanDerWaalsContact O-N 3.11Å
124V73.3Confident80.6Confident28 Ų2849.2 Ų49.217%0.1724%0.235CC..Hα-helixtrans-52-33.6-176.689.80000113.6H121 L127 Q128 Y185H121-V124 PolarHBondContact NE2-N 3.46Å; V124-L127 WeakPolarHBondContact O-CB 3.38Å; V124-L127 PolarHBondContact O-N 3.15Å; V124-Q128 PolarHBondContact O-N 2.75Å; V124-Y185 HydrophobicContact CB-CD2 4.22Å; V124-Y185 HydrophobicContact CB-CE2 4.09Å; V124-Y185 HydrophobicContact CG2-CD1 4.31Å; V124-Y185 HydrophobicContact CG2-CD2 3.75Å; V124-Y185 HydrophobicContact CG2-CE2 4.09Å; V124-Y185 HydrophobicContact CG2-CG 3.86Å
125R69.4Low79.7Confident132 Ų13251.3 Ų51.350%0.49825%0.246SC..Hα-helixtrans-70.7-38177-66-17573.9-173.95.5112.9G123 L127 Q128 K129G123-R125 PolarHBondContact O-N 2.81Å; R125-L127 VanDerWaalsContact C-N 3.26Å; R125-Q128 PolarHBondContact O-N 2.77Å; R125-K129 PolarHBondContact O-N 2.83Å
126Y66.2Low79Confident65 Ų6557 Ų5726%0.25528%0.277SS..Hα-helixtrans-67.5-34.5176.4-61-74.4000110.4G123 Q128 K129 A130 K454G123-Y126 WeakPolarHBondContact O-CB 3.47Å; G123-Y126 PolarHBondContact O-N 3.02Å; Y126-Q128 PolarHBondContact O-N 2.85Å; Y126-K129 PolarHBondContact O-N 2.99Å; Y126-A130 WeakPolarHBondContact O-CB 3.36Å; Y126-A130 PolarHBondContact O-N 2.98Å; Y126-K454 VanDerWaalsContact CE2-CE 3.42Å; Y126-K454 VanDerWaalsContact CZ-NZ 3.27Å; Y126-K454 WeakPolarHBondContact OH-CE 3.48Å; Y126-K454 PolarHBondContact OH-NZ 3.44Å
127L70.3Confident78.3Confident3 Ų360.8 Ų60.82%0.01629%0.292CS..Hα-helixtrans-60.9-45175.3178.560.6000112.1G123 V124 R125 K129 A130 I131 V142 Y185 I188G123-L127 PolarHBondContact O-N 3.47Å; G123-L127 VanDerWaalsContact O-N 3.11Å; V124-L127 WeakPolarHBondContact O-CB 3.38Å; V124-L127 PolarHBondContact O-N 3.15Å; R125-L127 VanDerWaalsContact C-N 3.26Å; L127-K129 VanDerWaalsContact C-N 3.3Å; L127-K129 PolarHBondContact O-N 3.33Å; L127-A130 PolarHBondContact O-N 2.8Å; L127-I131 HydrophobicContact CD1-CD1 3.68Å; L127-I131 HydrophobicContact CD1-CG1 3.85Å; L127-I131 HydrophobicContact CD2-CD1 4.3Å; L127-I131 HydrophobicContact CG-CD1 3.68Å; L127-I131 HydrophobicContact CG-CG1 4.31Å; L127-I131 VanDerWaalsContact O-CG1 3.31Å; L127-I131 WeakPolarHBondContact O-CG1 3.44Å; L127-I131 PolarHBondContact O-N 2.82Å; L127-V142 HydrophobicContact CB-CG1 4.36Å; L127-V142 HydrophobicContact CB-CG2 4.1Å; L127-Y185 HydrophobicContact CD2-CD2 3.71Å; L127-Y185 HydrophobicContact CD2-CG 4.16Å; L127-I188 HydrophobicContact CD1-CD1 3.23Å; L127-I188 HydrophobicContact CD2-CD1 3.89Å; L127-I188 HydrophobicContact CG-CD1 4.2Å
128Q72.3Confident77.7Confident90 Ų9059.7 Ų59.742%0.42129%0.285SS..Hα-helixtrans-54.6-49.5176.7-168.8-177.611.200110.6V124 R125 Y126 I131 F132 Y177V124-Q128 PolarHBondContact O-N 2.75Å; R125-Q128 PolarHBondContact O-N 2.77Å; Y126-Q128 PolarHBondContact O-N 2.85Å; Q128-I131 PolarHBondContact O-N 2.85Å; Q128-F132 HydrophobicContact CG-CD2 3.72Å; Q128-F132 HydrophobicContact CG-CE2 3.48Å; Q128-F132 VanDerWaalsContact CG-CE2 3.48Å; Q128-F132 WeakPolarHBondContact O-CD2 3.48Å; Q128-F132 PolarHBondContact O-N 3.31Å; Q128-F132 VanDerWaalsContact O-N 3.09Å; Q128-Y177 PolarHBondContact NE2-OH 3.08Å
129K68.7Low77Confident118 Ų11863.8 Ų63.851%0.51330%0.303SS..Hα-helixtrans-65.2-41.3177.1-68.9-174.8177-176.10113.1R125 Y126 L127 I131 F132 N133R125-K129 PolarHBondContact O-N 2.83Å; Y126-K129 PolarHBondContact O-N 2.99Å; L127-K129 VanDerWaalsContact C-N 3.3Å; L127-K129 PolarHBondContact O-N 3.33Å; K129-I131 VanDerWaalsContact C-N 3.3Å; K129-I131 PolarHBondContact O-N 3.12Å; K129-F132 PolarHBondContact O-N 3.08Å; K129-N133 WeakPolarHBondContact O-CB 3.28Å; K129-N133 PolarHBondContact O-N 2.65Å
130A68.8Low76.5Confident6 Ų668.1 Ų68.15%0.0532%0.318CS..Hα-helixtrans-58.1-43.9178.400000111.5Y126 L127 L134 D135 Q138 F139Y126-A130 WeakPolarHBondContact O-CB 3.36Å; Y126-A130 PolarHBondContact O-N 2.98Å; L127-A130 PolarHBondContact O-N 2.8Å; A130-L134 CarbonylContact O-C 3.5Å; A130-L134 WeakPolarHBondContact O-CA 3.33Å; A130-L134 PolarHBondContact O-N 3.34Å; A130-D135 PolarHBondContact O-N 3.18Å; A130-Q138 HydrophobicContact CB-CB 3.55Å; A130-F139 HydrophobicContact CB-CB 4.33Å
131I73Confident75.9Confident73 Ų7368.7 Ų68.737%0.37432%0.32SS..Hα-helixtrans-69.2-49.2178.8-63.9163.7000110.7L127 Q128 K129 N133 L134 M184L127-I131 HydrophobicContact CD1-CD1 3.68Å; L127-I131 HydrophobicContact CD1-CG1 3.85Å; L127-I131 HydrophobicContact CD2-CD1 4.3Å; L127-I131 HydrophobicContact CG-CD1 3.68Å; L127-I131 HydrophobicContact CG-CG1 4.31Å; L127-I131 VanDerWaalsContact O-CG1 3.31Å; L127-I131 WeakPolarHBondContact O-CG1 3.44Å; L127-I131 PolarHBondContact O-N 2.82Å; Q128-I131 PolarHBondContact O-N 2.85Å; K129-I131 VanDerWaalsContact C-N 3.3Å; K129-I131 PolarHBondContact O-N 3.12Å; I131-N133 VanDerWaalsContact C-N 3.33Å; I131-N133 PolarHBondContact O-N 3.31Å; I131-L134 PolarHBondContact O-N 3.31Å; I131-M184 HydrophobicContact CD1-CB 4.3Å; I131-M184 HydrophobicContact CD1-CG 3.6Å
132F73.8Confident75.9Confident128 Ų12866.9 Ų66.956%0.56131%0.312SS*.Hα-helixtrans-66.2-34.4-176.7-78.1-61.1000113.3Q128 K129 Y177Q128-F132 HydrophobicContact CG-CD2 3.72Å; Q128-F132 HydrophobicContact CG-CE2 3.48Å; Q128-F132 VanDerWaalsContact CG-CE2 3.48Å; Q128-F132 WeakPolarHBondContact O-CD2 3.48Å; Q128-F132 PolarHBondContact O-N 3.31Å; Q128-F132 VanDerWaalsContact O-N 3.09Å; K129-F132 PolarHBondContact O-N 3.08Å; F132-Y177 HydrophobicContact CZ-CE2 4.05Å; F132-Y177 WeakPolarHBondContact CZ-OH 3.48Å
133N76.9Confident76.2Confident109 Ų10969.3 Ų69.358%0.58333%0.325SS*.Hα-helixtrans-102.32.6-176.9-61.3-14.7000113.3K129 I131 D135K129-N133 WeakPolarHBondContact O-CB 3.28Å; K129-N133 PolarHBondContact O-N 2.65Å; I131-N133 VanDerWaalsContact C-N 3.33Å; I131-N133 PolarHBondContact O-N 3.31Å; N133-D135 HydrophobicContact CB-CB 4.25Å; N133-D135 PolarHBondContact O-N 2.94Å
134L75.9Confident76.8Confident152 Ų15270.6 Ų70.680%0.79633%0.331SS*.THydrogen-bonded Turntrans48.940-172.6-61.5171.6000112.6A130 I131 I136A130-L134 CarbonylContact O-C 3.5Å; A130-L134 WeakPolarHBondContact O-CA 3.33Å; A130-L134 PolarHBondContact O-N 3.34Å; I131-L134 PolarHBondContact O-N 3.31Å; L134-I136 PolarHBondContact O-N 3.21Å
135D76.9Confident77.7Confident45 Ų4569.3 Ų69.324%0.24132%0.323CS..  trans-90.1104.2-171.8-174.3-27000110.4A130 N133 E137 Q138 F139A130-D135 PolarHBondContact O-N 3.18Å; N133-D135 HydrophobicContact CB-CB 4.25Å; N133-D135 PolarHBondContact O-N 2.94Å; D135-E137 VanDerWaalsContact C-N 3.33Å; D135-E137 PolarHBondContact O-N 2.77Å; D135-E137 PolarHBondContact OD1-N 2.65Å; D135-E137 VanDerWaalsContact OD1-N 3.09Å; D135-Q138 HydrophobicContact CB-CB 3.98Å; D135-Q138 HydrophobicContact CB-CG 3.75Å; D135-Q138 PolarHBondContact O-N 3.46Å; D135-Q138 PolarHBondContact OD1-N 3.09Å; D135-Q138 WeakPolarHBondContact OD2-CG 3.5Å; D135-F139 PolarHBondContact O-N 2.92Å; D135-F139 VanDerWaalsContact O-N 3.07Å
136I81.3Confident78.7Confident138 Ų13863 Ų6371%0.70830%0.299SS*.Hα-helixtrans-64.4-36.2-177.3-62.5173.4000111.5L134 F139 R140L134-I136 PolarHBondContact O-N 3.21Å; I136-F139 WeakPolarHBondContact O-CB 3.35Å; I136-F139 PolarHBondContact O-N 3.41Å; I136-R140 PolarHBondContact O-N 3.24Å
137E79.1Confident80Confident103 Ų10360.6 Ų60.648%0.48129%0.292SS..Hα-helixtrans-66.8-40.4177.8-75.2-60.9137.100110.7D135 F139 R140 M141D135-E137 VanDerWaalsContact C-N 3.33Å; D135-E137 PolarHBondContact O-N 2.77Å; D135-E137 PolarHBondContact OD1-N 2.65Å; D135-E137 VanDerWaalsContact OD1-N 3.09Å; E137-F139 VanDerWaalsContact C-N 3.31Å; E137-F139 PolarHBondContact O-N 2.93Å; E137-R140 PolarHBondContact O-N 3.46Å; E137-R140 IonicContact OE2-CZ 3.55Å; E137-R140 IonicContact OE2-NE 2.75Å; E137-R140 PolarHBondContact OE2-NE 3.38Å; E137-R140 IonicContact OE2-NH2 3.36Å; E137-R140 PolarHBondContact OE2-NH2 3.26Å; E137-M141 WeakPolarHBondContact O-CG 3.23Å; E137-M141 PolarHBondContact O-N 2.81Å
138Q79.9Confident81.2Confident4 Ų460.7 Ų60.72%0.01929%0.292CS..Hα-helixtrans-61.5-41.3173.2-64.8-70.2-2500112.1A130 D135 M141 V142A130-Q138 HydrophobicContact CB-CB 3.55Å; D135-Q138 HydrophobicContact CB-CB 3.98Å; D135-Q138 HydrophobicContact CB-CG 3.75Å; D135-Q138 PolarHBondContact O-N 3.46Å; D135-Q138 PolarHBondContact OD1-N 3.09Å; D135-Q138 WeakPolarHBondContact OD2-CG 3.5Å; Q138-M141 HydrophobicContact CB-CE 4.38Å; Q138-M141 HydrophobicContact CG-CE 4.11Å; Q138-M141 VanDerWaalsContact NE2-CE 3.26Å; Q138-M141 PolarHBondContact O-N 3.18Å; Q138-M141 VanDerWaalsContact OE1-CE 3.28Å; Q138-V142 WeakPolarHBondContact O-CG2 3.24Å; Q138-V142 PolarHBondContact O-N 3.13Å; Q138-V142 VanDerWaalsContact O-N 3.11Å
139F82Confident82.3Confident87 Ų8756.4 Ų56.438%0.38227%0.272SS..Hα-helixtrans-63.6-43.2176.5-175.9-98.6000112.2A130 D135 I136 E137 M141 V142 N143 I188A130-F139 HydrophobicContact CB-CB 4.33Å; D135-F139 PolarHBondContact O-N 2.92Å; D135-F139 VanDerWaalsContact O-N 3.07Å; I136-F139 WeakPolarHBondContact O-CB 3.35Å; I136-F139 PolarHBondContact O-N 3.41Å; E137-F139 VanDerWaalsContact C-N 3.31Å; E137-F139 PolarHBondContact O-N 2.93Å; F139-M141 VanDerWaalsContact C-N 3.34Å; F139-M141 PolarHBondContact O-N 3.27Å; F139-V142 PolarHBondContact O-N 3.2Å; F139-N143 WeakPolarHBondContact CD1-ND2 3.47Å; F139-N143 WeakPolarHBondContact CE1-ND2 3.48Å; F139-N143 PolarHBondContact O-N 2.67Å; F139-N143 VanDerWaalsContact O-N 3.1Å; F139-I188 HydrophobicContact CD2-CD1 4.36Å; F139-I188 HydrophobicContact CE2-CD1 3.67Å; F139-I188 HydrophobicContact CE2-CG1 3.86Å; F139-I188 HydrophobicContact CE2-CG2 3.84Å; F139-I188 HydrophobicContact CZ-CG1 4.41Å; F139-I188 HydrophobicContact CZ-CG2 4.14Å
140R83Confident83.5Confident111 Ų11151.4 Ų51.442%0.41925%0.252SS..Hα-helixtrans-59.2-44.4175.2-172.7-179.266.482.4-2.8111.7I136 E137 V142 N143 E144I136-R140 PolarHBondContact O-N 3.24Å; E137-R140 PolarHBondContact O-N 3.46Å; E137-R140 IonicContact OE2-CZ 3.55Å; E137-R140 IonicContact OE2-NE 2.75Å; E137-R140 PolarHBondContact OE2-NE 3.38Å; E137-R140 IonicContact OE2-NH2 3.36Å; E137-R140 PolarHBondContact OE2-NH2 3.26Å; R140-V142 VanDerWaalsContact C-N 3.3Å; R140-V142 PolarHBondContact O-N 2.95Å; R140-N143 PolarHBondContact O-N 3.33Å; R140-E144 IonicContact NH1-OE2 3.94Å; R140-E144 PolarHBondContact O-N 3.05Å
141M82.1Confident84.7Confident11 Ų1151.5 Ų51.55%0.05425%0.252CS..Hα-helixtrans-61.2-36.4176.4-74-171.6-73.800113.1E137 Q138 F139 A145 R436 N437E137-M141 WeakPolarHBondContact O-CG 3.23Å; E137-M141 PolarHBondContact O-N 2.81Å; Q138-M141 HydrophobicContact CB-CE 4.38Å; Q138-M141 HydrophobicContact CG-CE 4.11Å; Q138-M141 VanDerWaalsContact NE2-CE 3.26Å; Q138-M141 PolarHBondContact O-N 3.18Å; Q138-M141 VanDerWaalsContact OE1-CE 3.28Å; F139-M141 VanDerWaalsContact C-N 3.34Å; F139-M141 PolarHBondContact O-N 3.27Å; M141-A145 WeakPolarHBondContact O-CB 3.3Å; M141-A145 PolarHBondContact O-N 3.2Å; M141-R436 HydrophobicContact CE-CB 4.38Å; M141-R436 HydrophobicContact SD-CB 4.35Å; M141-N437 WeakPolarHBondContact CG-ND2 3.34Å; M141-N437 HydrophobicContact SD-CB 4.31Å; M141-N437 PolarHBondContact SD-OD1 3.23Å
142V85.1Confident85.8Confident0 Ų048 Ų480%023%0.234CC..Hα-helixtrans-65.7-48.7175.81720000110.4L127 Q138 F139 R140 E144 A145 L146 I188L127-V142 HydrophobicContact CB-CG1 4.36Å; L127-V142 HydrophobicContact CB-CG2 4.1Å; Q138-V142 WeakPolarHBondContact O-CG2 3.24Å; Q138-V142 PolarHBondContact O-N 3.13Å; Q138-V142 VanDerWaalsContact O-N 3.11Å; F139-V142 PolarHBondContact O-N 3.2Å; R140-V142 VanDerWaalsContact C-N 3.3Å; R140-V142 PolarHBondContact O-N 2.95Å; V142-E144 VanDerWaalsContact C-N 3.32Å; V142-E144 PolarHBondContact O-N 2.66Å; V142-A145 PolarHBondContact O-N 2.95Å; V142-L146 HydrophobicContact CG1-CD1 3.6Å; V142-L146 HydrophobicContact CG1-CG 4.27Å; V142-L146 WeakPolarHBondContact O-CB 3.31Å; V142-L146 WeakPolarHBondContact O-CD1 3.29Å; V142-L146 WeakPolarHBondContact O-CG 3.08Å; V142-L146 PolarHBondContact O-N 2.92Å; V142-I188 HydrophobicContact CG1-CG2 4.35Å
143N86Confident86.8Confident51 Ų5142.5 Ų42.527%0.27321%0.21SC..Hα-helixtrans-61.1-40178.9-72.7-31.1000112.8F139 R140 L146 S147 I188 Q192F139-N143 WeakPolarHBondContact CD1-ND2 3.47Å; F139-N143 WeakPolarHBondContact CE1-ND2 3.48Å; F139-N143 PolarHBondContact O-N 2.67Å; F139-N143 VanDerWaalsContact O-N 3.1Å; R140-N143 PolarHBondContact O-N 3.33Å; N143-L146 PolarHBondContact O-N 3.33Å; N143-S147 WeakPolarHBondContact O-CB 3.33Å; N143-S147 PolarHBondContact O-N 2.91Å; N143-I188 VanDerWaalsContact OD1-CG2 3.26Å; N143-I188 WeakPolarHBondContact OD1-CG2 3.46Å; N143-Q192 PolarHBondContact O-OE1 3.3Å
144E89.5Confident87.6Confident28 Ų2838.2 Ų38.213%0.13119%0.187CC..Hα-helixtrans-62.4-50.8174.8-172.9-177.6173.400111R140 V142 L146 S147 E148 T457 S460R140-E144 IonicContact NH1-OE2 3.94Å; R140-E144 PolarHBondContact O-N 3.05Å; V142-E144 VanDerWaalsContact C-N 3.32Å; V142-E144 PolarHBondContact O-N 2.66Å; E144-L146 VanDerWaalsContact C-N 3.29Å; E144-L146 PolarHBondContact O-N 2.98Å; E144-S147 WeakPolarHBondContact O-CB 3.37Å; E144-S147 PolarHBondContact O-N 3.26Å; E144-S147 VanDerWaalsContact O-N 3.13Å; E144-E148 HydrophobicContact CG-CG 4.42Å; E144-E148 WeakPolarHBondContact O-CG 3.46Å; E144-E148 PolarHBondContact O-N 3.17Å; E144-T457 HydrophobicContact CG-CG2 4.38Å; E144-S460 WeakPolarHBondContact OE1-CB 3.28Å; E144-S460 PolarHBondContact OE1-OG 3.33Å
145A91Very high88.6Confident1 Ų131 Ų311%0.00815%0.15CC..Hα-helixtrans-60.2-37.6178.800000112.8M141 V142 R149 T456M141-A145 WeakPolarHBondContact O-CB 3.3Å; M141-A145 PolarHBondContact O-N 3.2Å; V142-A145 PolarHBondContact O-N 2.95Å; A145-R149 WeakPolarHBondContact O-CB 3.31Å; A145-R149 PolarHBondContact O-N 3.43Å; A145-T456 WeakPolarHBondContact O-CG2 3.41Å
146L91.8Very high89.5Confident0 Ų028.9 Ų28.90%014%0.138CC..Hα-helixtrans-65.2-43.4175-71.3165.9000112V142 N143 E144 S150 Y185 I188 S189V142-L146 HydrophobicContact CG1-CD1 3.6Å; V142-L146 HydrophobicContact CG1-CG 4.27Å; V142-L146 WeakPolarHBondContact O-CB 3.31Å; V142-L146 WeakPolarHBondContact O-CD1 3.29Å; V142-L146 WeakPolarHBondContact O-CG 3.08Å; V142-L146 PolarHBondContact O-N 2.92Å; N143-L146 PolarHBondContact O-N 3.33Å; E144-L146 VanDerWaalsContact C-N 3.29Å; E144-L146 PolarHBondContact O-N 2.98Å; L146-S150 PolarHBondContact O-N 3.5Å; L146-Y185 HydrophobicContact CD2-CE1 4.42Å; L146-Y185 HydrophobicContact CD2-CE2 3.87Å; L146-Y185 WeakPolarHBondContact CD2-OH 3.37Å; L146-I188 HydrophobicContact CD1-CG2 4.13Å; L146-S189 WeakPolarHBondContact CD2-OG 3.43Å
147S92.5Very high90.2Very high15 Ų1524.3 Ų24.311%0.10512%0.117CC..Hα-helixtrans-61.2-50.3176.3175.60000110.8N143 E144 S150 N151 Q192 K484N143-S147 WeakPolarHBondContact O-CB 3.33Å; N143-S147 PolarHBondContact O-N 2.91Å; E144-S147 WeakPolarHBondContact O-CB 3.37Å; E144-S147 PolarHBondContact O-N 3.26Å; E144-S147 VanDerWaalsContact O-N 3.13Å; S147-S150 PolarHBondContact O-N 3.1Å; S147-N151 WeakPolarHBondContact O-CB 3.5Å; S147-N151 PolarHBondContact O-N 3.47Å; S147-Q192 VanDerWaalsContact CB-NE2 3.29Å; S147-K484 PolarHBondContact OG-NZ 2.86Å; S147-K484 VanDerWaalsContact OG-NZ 3.14Å
148E95.4Very high91Very high4 Ų420 Ų202%0.01910%0.097CC..Hα-helixtrans-69-36.7-177.4-63.4-52.8132.500112E144 S150 N151 L152 T456 T457 R459E144-E148 HydrophobicContact CG-CG 4.42Å; E144-E148 WeakPolarHBondContact O-CG 3.46Å; E144-E148 PolarHBondContact O-N 3.17Å; E148-S150 PolarHBondContact O-N 3.18Å; E148-N151 PolarHBondContact O-N 3.38Å; E148-L152 WeakPolarHBondContact O-CB 3.43Å; E148-L152 PolarHBondContact O-N 3.26Å; E148-T456 HydrophobicContact CB-CG2 4.19Å; E148-T456 VanDerWaalsContact CB-O 3.24Å; E148-T456 WeakPolarHBondContact CB-O 3.43Å; E148-T457 HydrophobicContact CG-CG2 4.37Å; E148-R459 VanDerWaalsContact CD-NE 3.34Å; E148-R459 IonicContact OE1-CZ 3.64Å; E148-R459 IonicContact OE1-NE 2.67Å; E148-R459 PolarHBondContact OE1-NE 3.07Å; E148-R459 IonicContact OE1-NH2 3.33Å; E148-R459 PolarHBondContact OE1-NH2 2.95Å; E148-R459 WeakPolarHBondContact OE2-CB 3.24Å; E148-R459 WeakPolarHBondContact OE2-CD 3.35Å; E148-R459 IonicContact OE2-CZ 2.65Å; E148-R459 IonicContact OE2-NE 2.69Å; E148-R459 PolarHBondContact OE2-NE 2.94Å; E148-R459 IonicContact OE2-NH2 3.43Å
149R95.2Very high91.9Very high1 Ų119.9 Ų19.90%0.00410%0.097CC..Hα-helixtrans-59.8-47.1171.4179.1-172.370.9-175.3-0.9112I120 A145 N151 L152 I153 Y185 L194 Y224 D225 T456I120-R149 HydrophobicContact CB-CG 4.14Å; I120-R149 HydrophobicContact CG2-CB 3.79Å; I120-R149 HydrophobicContact CG2-CG 3.71Å; I120-R149 WeakPolarHBondContact O-CD 3.36Å; I120-R149 WeakPolarHBondContact O-CG 3.37Å; A145-R149 WeakPolarHBondContact O-CB 3.31Å; A145-R149 PolarHBondContact O-N 3.43Å; R149-N151 VanDerWaalsContact C-N 3.3Å; R149-N151 PolarHBondContact O-N 3.2Å; R149-L152 PolarHBondContact O-N 3.02Å; R149-I153 HydrophobicContact CG-CD1 4.24Å; R149-I153 PolarHBondContact O-N 3.22Å; R149-Y185 PolarHBondContact NH1-OH 3.21Å; R149-L194 HydrophobicContact CG-CD1 4.48Å; R149-Y224 PolarHBondContact NH1-O 3.19Å; R149-D225 VanDerWaalsContact CD-OD1 3.25Å; R149-D225 WeakPolarHBondContact CD-OD1 3.26Å; R149-D225 IonicContact CZ-OD1 2.72Å; R149-D225 IonicContact NE-OD1 3.18Å; R149-D225 IonicContact NH1-OD1 3.39Å; R149-D225 PolarHBondContact NH1-OD1 3.1Å; R149-T456 HydrophobicContact CB-CG2 4.1Å
150S93.6Very high92.6Very high12 Ų1215.7 Ų15.78%0.0848%0.078CC..Hα-helixtrans-61.1-44.5177.4-1710000110.5R37 L146 S147 E148 D154R37-S150 PolarHBondContact NH2-OG 3.01Å; L146-S150 PolarHBondContact O-N 3.5Å; S147-S150 PolarHBondContact O-N 3.1Å; E148-S150 PolarHBondContact O-N 3.18Å; S150-D154 WeakPolarHBondContact O-CB 3.35Å; S150-D154 PolarHBondContact O-N 3.34Å; S150-D154 VanDerWaalsContact O-N 3.13Å
151N95Very high93.1Very high9 Ų914.9 Ų14.95%0.0488%0.076CC..Hα-helixtrans-60.2-45.1177.3-177.877000112.2S147 E148 R149 I153 D154 I155 G485S147-N151 WeakPolarHBondContact O-CB 3.5Å; S147-N151 PolarHBondContact O-N 3.47Å; E148-N151 PolarHBondContact O-N 3.38Å; R149-N151 VanDerWaalsContact C-N 3.3Å; R149-N151 PolarHBondContact O-N 3.2Å; N151-I153 PolarHBondContact O-N 2.9Å; N151-D154 CarbonylContact O-C 3.55Å; N151-D154 WeakPolarHBondContact O-CA 3.25Å; N151-D154 VanDerWaalsContact O-CB 3.32Å; N151-D154 WeakPolarHBondContact O-CB 3.49Å; N151-D154 PolarHBondContact O-N 2.88Å; N151-D154 VanDerWaalsContact O-N 3.07Å; N151-I155 WeakPolarHBondContact O-CG1 3.41Å; N151-I155 WeakPolarHBondContact O-CG2 3.28Å; N151-I155 PolarHBondContact O-N 2.97Å; N151-G485 PolarHBondContact OD1-N 3.06Å
152L95.9Very high93.7Very high0 Ų016.5 Ų16.50%09%0.087CC..Hα-helixtrans-58.6-48.4-179.9-91.6166.4000113.4I120 E148 R149 D154 I155 A156 M233 W455 T456 Y458I120-L152 HydrophobicContact CD1-CB 4.05Å; I120-L152 HydrophobicContact CD1-CD1 4.43Å; I120-L152 HydrophobicContact CG1-CD1 4.42Å; I120-L152 HydrophobicContact CG2-CB 4.39Å; I120-L152 HydrophobicContact CG2-CD1 3.52Å; E148-L152 WeakPolarHBondContact O-CB 3.43Å; E148-L152 PolarHBondContact O-N 3.26Å; R149-L152 PolarHBondContact O-N 3.02Å; L152-D154 PolarHBondContact O-N 3.25Å; L152-I155 HydrophobicContact CD2-CD1 4.48Å; L152-I155 WeakPolarHBondContact O-CG1 3.42Å; L152-I155 PolarHBondContact O-N 2.88Å; L152-A156 PolarHBondContact O-N 3.45Å; L152-M233 HydrophobicContact CD2-CE 4.32Å; L152-M233 HydrophobicContact CD2-CG 4.41Å; L152-M233 HydrophobicContact CD2-SD 4.35Å; L152-W455 HydrophobicContact CD1-CE3 4.17Å; L152-W455 HydrophobicContact CD1-CZ3 3.69Å; L152-W455 HydrophobicContact CD2-CH2 4.18Å; L152-W455 HydrophobicContact CD2-CZ3 3.71Å; L152-W455 HydrophobicContact CG-CZ3 4.36Å; L152-T456 WeakPolarHBondContact CD1-O 3.38Å; L152-Y458 HydrophobicContact CD1-CD1 4.48Å; L152-Y458 HydrophobicContact CD1-CE1 4.33Å; L152-Y458 HydrophobicContact CD2-CD1 4.35Å; L152-Y458 HydrophobicContact CD2-CE1 3.56Å; L152-Y458 HydrophobicContact CG-CE1 4.05Å
153I95.3Very high94.2Very high12 Ų1216.8 Ų16.86%0.0629%0.089CC..Hα-helixtrans-60.8-36.4175.5-69.3167000110.5I120 R149 N151 P157 A160 P162 L194I120-I153 HydrophobicContact CD1-CG1 4.33Å; R149-I153 HydrophobicContact CG-CD1 4.24Å; R149-I153 PolarHBondContact O-N 3.22Å; N151-I153 PolarHBondContact O-N 2.9Å; I153-P157 VanDerWaalsContact O-CA 3.24Å; I153-P157 WeakPolarHBondContact O-CA 3.35Å; I153-A160 HydrophobicContact CG1-CB 4.04Å; I153-P162 HydrophobicContact CD1-CG 4.37Å; I153-L194 HydrophobicContact CD1-CD1 3.68Å; I153-L194 HydrophobicContact CD1-CD2 3.61Å; I153-L194 HydrophobicContact CD1-CG 4.31Å
154D93.3Very high94.6Very high18 Ų1815.2 Ų15.210%0.0968%0.081CC..Hα-helixtrans-76.3-33.8-175-80.14.3000113.8R37 L41 R44 S150 N151 L152R37-D154 IonicContact CZ-OD1 2.86Å; R37-D154 VanDerWaalsContact CZ-OD1 3.27Å; R37-D154 IonicContact CZ-OD2 3.69Å; R37-D154 IonicContact NH1-OD1 3.47Å; R37-D154 PolarHBondContact NH1-OD1 3.34Å; R37-D154 IonicContact NH1-OD2 3.63Å; R37-D154 PolarHBondContact NH1-OD2 3.4Å; R37-D154 IonicContact NH2-OD1 3.18Å; R37-D154 PolarHBondContact NH2-OD1 2.9Å; R37-D154 IonicContact NH2-OD2 2.72Å; L41-D154 WeakPolarHBondContact CD2-OD1 3.29Å; R44-D154 IonicContact CZ-OD2 3.58Å; R44-D154 VanDerWaalsContact NH1-CB 3.31Å; R44-D154 PolarHBondContact NH1-O 3.43Å; R44-D154 VanDerWaalsContact NH2-CB 3.25Å; R44-D154 IonicContact NH2-OD2 3.99Å; R44-D154 PolarHBondContact NH2-OD2 3.37Å; S150-D154 WeakPolarHBondContact O-CB 3.35Å; S150-D154 PolarHBondContact O-N 3.34Å; S150-D154 VanDerWaalsContact O-N 3.13Å; N151-D154 CarbonylContact O-C 3.55Å; N151-D154 WeakPolarHBondContact O-CA 3.25Å; N151-D154 VanDerWaalsContact O-CB 3.32Å; N151-D154 WeakPolarHBondContact O-CB 3.49Å; N151-D154 PolarHBondContact O-N 2.88Å; N151-D154 VanDerWaalsContact O-N 3.07Å; L152-D154 PolarHBondContact O-N 3.25Å
155I95.9Very high94.9Very high2 Ų213.9 Ų13.91%0.018%0.075CC..Hα-helixtrans-86.6-20.4-177.665.3176.1000113.4N151 L152 L486 L488 A491N151-I155 WeakPolarHBondContact O-CG1 3.41Å; N151-I155 WeakPolarHBondContact O-CG2 3.28Å; N151-I155 PolarHBondContact O-N 2.97Å; L152-I155 HydrophobicContact CD2-CD1 4.48Å; L152-I155 WeakPolarHBondContact O-CG1 3.42Å; L152-I155 PolarHBondContact O-N 2.88Å; I155-L486 WeakPolarHBondContact CB-O 3.46Å; I155-L486 WeakPolarHBondContact CG2-O 3.45Å; I155-L488 HydrophobicContact CB-CG 4.46Å; I155-L488 HydrophobicContact CD1-CD1 3.9Å; I155-L488 HydrophobicContact CD1-CD2 4.28Å; I155-L488 HydrophobicContact CD1-CG 3.91Å; I155-L488 HydrophobicContact CG1-CD1 4.18Å; I155-L488 HydrophobicContact CG1-CG 4.1Å; I155-L488 PolarHBondContact O-N 2.7Å; I155-A491 VanDerWaalsContact O-CB 3.28Å; I155-A491 WeakPolarHBondContact O-CB 3.44Å
156A96.8Very high95Very high0 Ų013.8 Ų13.80%08%0.075CC..  trans-143.966.3179.400000110.9L152 H158 L159 A160 M233 L488L152-A156 PolarHBondContact O-N 3.45Å; A156-H158 PolarHBondContact O-N 3.44Å; A156-H158 VanDerWaalsContact O-N 3.08Å; A156-L159 HydrophobicContact CB-CB 4.24Å; A156-L159 HydrophobicContact CB-CD1 4.38Å; A156-L159 PolarHBondContact O-N 2.96Å; A156-A160 PolarHBondContact O-N 2.78Å; A156-M233 HydrophobicContact CB-CE 3.72Å; A156-M233 HydrophobicContact CB-SD 3.53Å; A156-M233 VanDerWaalsContact CB-SD 3.53Å; A156-L488 HydrophobicContact CB-CB 4.32Å; A156-L488 HydrophobicContact CB-CD1 4.07Å; A156-L488 HydrophobicContact CB-CG 4.45Å
157P95.4Very high95.1Very high42 Ų4214.1 Ų14.127%0.2738%0.076SC..THydrogen-bonded Turntrans-66.4-14-173.628.1-37.6000114.4I153 W494I153-P157 VanDerWaalsContact O-CA 3.24Å; I153-P157 WeakPolarHBondContact O-CA 3.35Å; P157-W494 HydrophobicContact CB-CE3 4.07Å; P157-W494 HydrophobicContact CB-CH2 4.27Å; P157-W494 HydrophobicContact CB-CZ3 3.65Å; P157-W494 HydrophobicContact CG-CE3 3.66Å; P157-W494 HydrophobicContact CG-CZ3 3.78Å
158H96.7Very high95.1Very high11 Ų1113.8 Ų13.85%0.0517%0.074CC..THydrogen-bonded Turntrans-79.6-31.6172.560.9-73.4000112A156 E489 G490 A491 W494 G518 G521A156-H158 PolarHBondContact O-N 3.44Å; A156-H158 VanDerWaalsContact O-N 3.08Å; H158-E489 PolarHBondContact CE1-O 3.39Å; H158-E489 PolarHBondContact NE2-O 3.05Å; H158-G490 VanDerWaalsContact CE1-C 3.44Å; H158-A491 PolarHBondContact CE1-N 3.11Å; H158-W494 HydrophobicContact CB-CD2 3.9Å; H158-W494 HydrophobicContact CB-CG 3.88Å; H158-W494 HydrophobicContact CB-CZ2 4.2Å; H158-G518 CarbonylContact C-O 3.58Å; H158-G518 VanDerWaalsContact C-O 3.25Å; H158-G518 PolarHBondContact CD2-O 2.75Å; H158-G521 PolarHBondContact CD2-N 2.86Å
159L97.7Very high95Very high2 Ų213.6 Ų13.61%0.017%0.073CC..THydrogen-bonded Turntrans-98-24.6-177.9-60.9178.1000114.1A156 Q228 E229 R232 M233 S236 G518 I519A156-L159 HydrophobicContact CB-CB 4.24Å; A156-L159 HydrophobicContact CB-CD1 4.38Å; A156-L159 PolarHBondContact O-N 2.96Å; L159-Q228 CarbonylContact O-C 3.53Å; L159-Q228 WeakPolarHBondContact O-CA 3.42Å; L159-E229 HydrophobicContact CD2-CB 4.44Å; L159-E229 PolarHBondContact O-N 3.16Å; L159-R232 HydrophobicContact CD1-CB 4.48Å; L159-R232 HydrophobicContact CD1-CG 3.92Å; L159-R232 HydrophobicContact CD2-CB 3.99Å; L159-R232 HydrophobicContact CD2-CG 3.4Å; L159-R232 HydrophobicContact CG-CG 4.33Å; L159-M233 HydrophobicContact CB-CE 3.58Å; L159-M233 HydrophobicContact CB-SD 4.17Å; L159-M233 HydrophobicContact CD1-CB 4.32Å; L159-M233 HydrophobicContact CD1-SD 4.01Å; L159-S236 WeakPolarHBondContact CD1-OG 3.37Å; L159-G518 WeakPolarHBondContact CD2-O 3.3Å; L159-I519 WeakPolarHBondContact CD2-O 3.42Å
160A96.9Very high94.9Very high0 Ų016.1 Ų16.10%08%0.083CC..EExtended strand (participates in β ladder)trans-131.5134.9-176.900000111.8I120 I153 A156 Q227 Q228 M233I120-A160 HydrophobicContact CD1-CB 3.55Å; I153-A160 HydrophobicContact CG1-CB 4.04Å; A156-A160 PolarHBondContact O-N 2.78Å; A160-Q227 VanDerWaalsContact CA-O 3.3Å; A160-Q227 WeakPolarHBondContact CA-O 3.39Å; A160-Q228 HydrophobicContact CB-CB 4.17Å; A160-M233 HydrophobicContact CB-CE 3.43Å; A160-M233 VanDerWaalsContact CB-CE 3.43Å
161Y94.5Very high94.9Very high93 Ų9321.2 Ų21.237%0.36510%0.104SC..EExtended strand (participates in β ladder)trans-150.5158.7-175.450-94.2000112.3L163 Q227Y161-L163 PolarHBondContact O-N 2.89Å; Y161-Q227 HydrophobicContact CD2-CB 4.43Å; Y161-Q227 HydrophobicContact CE2-CB 3.91Å; Y161-Q227 HydrophobicContact CE2-CG 4.35Å; Y161-Q227 VanDerWaalsContact CE2-OE1 3.22Å; Y161-Q227 PolarHBondContact N-O 3.41Å; Y161-Q227 PolarHBondContact O-N 3.48Å; Y161-Q227 PolarHBondContact OH-OE1 3.12Å
162P94.8Very high94.8Very high46 Ų4630.2 Ų30.230%0.29914%0.137SC..EExtended strand (participates in β ladder)trans-65131.6172.9-21.934000112.5I153 L194 Y224 D225I153-P162 HydrophobicContact CD1-CG 4.37Å; P162-L194 HydrophobicContact CB-CB 4.13Å; P162-L194 HydrophobicContact CB-CD1 4.05Å; P162-L194 HydrophobicContact CG-CB 4.23Å; P162-L194 HydrophobicContact CG-CD1 4.3Å; P162-L194 HydrophobicContact CG-CD2 4.45Å; P162-Y224 HydrophobicContact CB-CD1 4.34Å; P162-D225 CarbonylContact C-O 3.42Å; P162-D225 WeakPolarHBondContact CA-O 3.38Å
163L95Very high94.6Very high6 Ų637.4 Ų37.43%0.03116%0.164CC..EExtended strand (participates in β ladder)trans-115.9120.5174.518070.3000109.8L119 Y161 I165 Y224 D225 Q227 L362 P363L119-L163 HydrophobicContact CD2-CD2 3.89Å; Y161-L163 PolarHBondContact O-N 2.89Å; L163-I165 HydrophobicContact CD2-CG1 4.24Å; L163-I165 HydrophobicContact CG-CG1 4.29Å; L163-Y224 WeakPolarHBondContact O-CA 3.33Å; L163-D225 PolarHBondContact N-O 3.46Å; L163-D225 PolarHBondContact O-N 3.08Å; L163-Q227 HydrophobicContact CB-CB 3.9Å; L163-Q227 HydrophobicContact CD2-CB 4.07Å; L163-Q227 HydrophobicContact CD2-CG 4.44Å; L163-Q227 HydrophobicContact CG-CB 4.49Å; L163-L362 HydrophobicContact CD2-CD2 3.89Å; L163-P363 HydrophobicContact CD1-CG 3.86Å
164P95.4Very high94.4Very high17 Ų1738 Ų3811%0.1117%0.166CC..EExtended strand (participates in β ladder)trans-70.9135.1168.525.8-28.3000110.1V222 Y223 Y224 K345 M346 G347P164-V222 HydrophobicContact CB-CG1 3.68Å; P164-Y223 CarbonylContact C-O 3.56Å; P164-Y223 WeakPolarHBondContact CA-O 3.02Å; P164-Y224 HydrophobicContact CB-CD1 3.94Å; P164-Y224 HydrophobicContact CB-CE1 3.5Å; P164-Y224 HydrophobicContact CG-CE1 3.93Å; P164-K345 WeakPolarHBondContact CD-O 3.13Å; P164-K345 WeakPolarHBondContact CG-O 3.46Å; P164-M346 HydrophobicContact CB-CE 4.02Å; P164-M346 HydrophobicContact CB-CG 4.34Å; P164-M346 HydrophobicContact CG-CB 4.03Å; P164-M346 HydrophobicContact CG-CE 4.33Å; P164-M346 HydrophobicContact CG-CG 4.39Å; P164-M346 CarbonylContact O-C 3.58Å; P164-M346 VanDerWaalsContact O-CA 3.28Å; P164-M346 WeakPolarHBondContact O-CA 3.15Å; P164-G347 PolarHBondContact O-N 2.73Å
165I94.1Very high94.3Very high0 Ų038.4 Ų38.40%017%0.17CC..EExtended strand (participates in β ladder)trans-123.8121.6177.8-58.9175.4000108.1L119 L163 V222 Y223 D225 G347 L349 F360 L362L119-I165 HydrophobicContact CD1-CD1 4.41Å; L119-I165 HydrophobicContact CD2-CD1 4.15Å; L163-I165 HydrophobicContact CD2-CG1 4.24Å; L163-I165 HydrophobicContact CG-CG1 4.29Å; I165-V222 WeakPolarHBondContact O-CA 3.33Å; I165-Y223 HydrophobicContact CB-CD1 4.2Å; I165-Y223 HydrophobicContact CB-CE1 3.68Å; I165-Y223 HydrophobicContact CD1-CE2 4.33Å; I165-Y223 HydrophobicContact CG2-CE1 3.7Å; I165-Y223 PolarHBondContact N-O 2.69Å; I165-Y223 WeakPolarHBondContact O-CD1 3.5Å; I165-Y223 PolarHBondContact O-N 3.15Å; I165-Y223 VanDerWaalsContact O-N 3.09Å; I165-D225 HydrophobicContact CD1-CB 3.9Å; I165-G347 CarbonylContact C-O 3.57Å; I165-G347 WeakPolarHBondContact CA-O 3.29Å; I165-L349 HydrophobicContact CG2-CB 3.79Å; I165-F360 HydrophobicContact CD1-CE1 4.38Å; I165-L362 HydrophobicContact CD1-CD2 4.47Å
166M94.2Very high94.1Very high0 Ų042.3 Ų42.30%020%0.195CC..EExtended strand (participates in β ladder)trans-92.4128.9178.9-175.7174.564.800110.9L200 A205 F209 L212 L221 V222 M346 G347 L348 L349M166-L200 HydrophobicContact SD-CD1 4.33Å; M166-A205 HydrophobicContact SD-CB 4.16Å; M166-F209 HydrophobicContact CE-CB 3.93Å; M166-F209 HydrophobicContact CE-CD1 4.16Å; M166-L212 HydrophobicContact CE-CD2 4.12Å; M166-L221 CarbonylContact C-O 3.56Å; M166-L221 WeakPolarHBondContact CA-O 3.38Å; M166-V222 HydrophobicContact CB-CG2 4.13Å; M166-V222 HydrophobicContact CG-CG2 4.21Å; M166-M346 HydrophobicContact CB-CG 4.13Å; M166-M346 HydrophobicContact CB-SD 3.72Å; M166-M346 HydrophobicContact CG-SD 4.5Å; M166-M346 HydrophobicContact SD-SD 4.31Å; M166-G347 PolarHBondContact N-O 2.83Å; M166-L348 HydrophobicContact CE-CD1 3.94Å; M166-L348 WeakPolarHBondContact O-CA 3.34Å; M166-L349 PolarHBondContact O-N 3.34Å
167L93.1Very high93.6Very high7 Ų746.7 Ų46.74%0.03721%0.212CC..EExtended strand (participates in β ladder)trans-99.2107.8165.6173.363.9000108.7Y178 G220 L221 L349 P351L167-Y178 HydrophobicContact CD2-CD1 3.77Å; L167-Y178 HydrophobicContact CD2-CD2 3.73Å; L167-Y178 HydrophobicContact CD2-CE1 4.05Å; L167-Y178 HydrophobicContact CD2-CE2 4.01Å; L167-Y178 HydrophobicContact CD2-CG 3.62Å; L167-G220 CarbonylContact O-C 3.54Å; L167-G220 WeakPolarHBondContact O-CA 3.36Å; L167-L221 HydrophobicContact CB-CB 4.45Å; L167-L221 PolarHBondContact N-O 3.49Å; L167-L221 PolarHBondContact O-N 3.02Å; L167-L349 HydrophobicContact CD1-CD2 4.45Å; L167-P351 HydrophobicContact CD1-CG 3.61Å
168P93.5Very high93.3Very high8 Ų846.3 Ų46.35%0.05221%0.206CC..EExtended strand (participates in β ladder)trans-69.9140174.130.4-35.9000111.1Y170 L212 L217 L348 Y400P168-Y170 HydrophobicContact CB-CE2 3.92Å; P168-Y170 HydrophobicContact CG-CE2 4.21Å; P168-L212 HydrophobicContact CB-CD1 4.08Å; P168-L212 HydrophobicContact CB-CD2 4.01Å; P168-L212 HydrophobicContact CG-CD1 4.32Å; P168-L217 HydrophobicContact CB-CD1 4.14Å; P168-L348 HydrophobicContact CG-CD1 4.2Å; P168-L348 HydrophobicContact CG-CD2 4.3Å; P168-L348 HydrophobicContact CG-CG 4.39Å; P168-Y400 HydrophobicContact CG-CD1 4.08Å; P168-Y400 HydrophobicContact CG-CE1 3.81Å
169I93.7Very high92.9Very high0 Ų049.3 Ų49.30%022%0.217CC..EExtended strand (participates in β ladder)trans-120.9126.1-175.7-57.4179.2000110.2K171 Q174 V175 Y178 V218 G219 L221I169-K171 WeakPolarHBondContact CG2-O 3.34Å; I169-Q174 HydrophobicContact CG2-CB 3.6Å; I169-V175 HydrophobicContact CB-CG2 4.43Å; I169-V175 HydrophobicContact CD1-CG2 4.14Å; I169-V175 HydrophobicContact CG2-CG2 3.76Å; I169-Y178 HydrophobicContact CD1-CD2 4.14Å; I169-Y178 HydrophobicContact CG1-CD2 4.27Å; I169-V218 WeakPolarHBondContact O-CB 3.32Å; I169-V218 PolarHBondContact O-N 2.79Å; I169-G219 PolarHBondContact N-O 2.75Å; I169-G219 PolarHBondContact O-N 3.47Å; I169-L221 HydrophobicContact CD1-CB 4.05Å
170Y92.6Very high92.4Very high53 Ų5351.5 Ų51.521%0.20824%0.235CC..  trans-112.9-5.2-175.8-65.8-89.7000114.1P168 K213 D215 K216 L217 Y400P168-Y170 HydrophobicContact CB-CE2 3.92Å; P168-Y170 HydrophobicContact CG-CE2 4.21Å; Y170-K213 HydrophobicContact CE1-CB 4.42Å; Y170-K213 HydrophobicContact CE1-CG 4.49Å; Y170-K213 PolarHBondContact OH-O 2.97Å; Y170-D215 VanDerWaalsContact CD1-O 3.31Å; Y170-D215 WeakPolarHBondContact CD1-O 3.42Å; Y170-D215 WeakPolarHBondContact CE1-O 3.24Å; Y170-K216 CarbonylContact C-O 3.52Å; Y170-K216 WeakPolarHBondContact CA-O 3.11Å; Y170-K216 HydrophobicContact CD1-CB 4.26Å; Y170-K216 VanDerWaalsContact O-O 3.11Å; Y170-L217 HydrophobicContact CD1-CB 4.25Å; Y170-L217 HydrophobicContact CD1-CD1 4.49Å; Y170-L217 HydrophobicContact CE1-CB 4.02Å; Y170-L217 HydrophobicContact CE1-CD1 4.1Å; Y170-Y400 HydrophobicContact CE2-CE1 4.12Å
171K93.2Very high91.8Very high120 Ų12053.3 Ų53.352%0.52225%0.254SS..SBendtrans-128.9133.9175.8-56.3179.5-177.9174.90110.2I169 W173 Q174I169-K171 WeakPolarHBondContact CG2-O 3.34Å; K171-W173 VanDerWaalsContact C-N 3.3Å; K171-W173 HydrophobicContact CD-CZ2 4.33Å; K171-W173 PolarHBondContact O-N 2.89Å; K171-Q174 HydrophobicContact CB-CG 4.04Å; K171-Q174 VanDerWaalsContact N-OE1 3.14Å; K171-Q174 VanDerWaalsContact O-CB 3.3Å; K171-Q174 WeakPolarHBondContact O-CB 3.42Å; K171-Q174 PolarHBondContact O-N 2.83Å
172W92.2Very high91.4Very high197 Ų19749.5 Ų49.575%0.74624%0.24SC*.THydrogen-bonded Turntrans-57.9-37.4-176.5-79101.3000114.4Q174 V175 P176 V218W172-Q174 PolarHBondContact O-N 2.83Å; W172-V175 PolarHBondContact O-N 3.29Å; W172-P176 VanDerWaalsContact O-CD 3.25Å; W172-P176 WeakPolarHBondContact O-CD 3.43Å; W172-V218 HydrophobicContact CD2-CG1 3.6Å; W172-V218 HydrophobicContact CD2-CG2 4.2Å; W172-V218 HydrophobicContact CE3-CG1 3.53Å; W172-V218 HydrophobicContact CG-CG1 4.31Å; W172-V218 HydrophobicContact CG-CG2 4.19Å; W172-V218 HydrophobicContact CH2-CG1 3.84Å; W172-V218 HydrophobicContact CZ2-CG1 3.89Å; W172-V218 HydrophobicContact CZ3-CG1 3.65Å
173W91.7Very high91.1Very high152 Ų15247.3 Ų47.358%0.57623%0.225SC*.THydrogen-bonded Turntrans-66.4-24178.670.7-100.6000113.2K171 V175 P176 Y177K171-W173 VanDerWaalsContact C-N 3.3Å; K171-W173 HydrophobicContact CD-CZ2 4.33Å; K171-W173 PolarHBondContact O-N 2.89Å; W173-V175 VanDerWaalsContact C-N 3.29Å; W173-V175 PolarHBondContact O-N 3.39Å; W173-P176 WeakPolarHBondContact O-CD 3.45Å; W173-P176 WeakPolarHBondContact O-CG 3.47Å; W173-Y177 HydrophobicContact CZ3-CG 4.38Å
174Q91Very high90.6Very high23 Ų2350.7 Ų50.711%0.10724%0.242CC..Hα-helixtrans-71.3-26.4178.5-71.7175.2-44.300111.8I169 K171 W172 Y177 Y178I169-Q174 HydrophobicContact CG2-CB 3.6Å; K171-Q174 HydrophobicContact CB-CG 4.04Å; K171-Q174 VanDerWaalsContact N-OE1 3.14Å; K171-Q174 VanDerWaalsContact O-CB 3.3Å; K171-Q174 WeakPolarHBondContact O-CB 3.42Å; K171-Q174 PolarHBondContact O-N 2.83Å; W172-Q174 PolarHBondContact O-N 2.83Å; Q174-Y177 PolarHBondContact O-N 2.75Å; Q174-Y178 HydrophobicContact CB-CD2 3.75Å; Q174-Y178 HydrophobicContact CB-CE2 3.67Å; Q174-Y178 HydrophobicContact CG-CE2 3.94Å; Q174-Y178 WeakPolarHBondContact O-CB 3.44Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.24Å; Q174-Y178 PolarHBondContact O-N 2.75Å
175V91.8Very high90.2Very high28 Ų2850 Ų5017%0.1724%0.237CC..Hα-helixtrans-58-60.4179.1-179.90000111.5I169 W172 W173 Y177 W179 Y199 V218I169-V175 HydrophobicContact CB-CG2 4.43Å; I169-V175 HydrophobicContact CD1-CG2 4.14Å; I169-V175 HydrophobicContact CG2-CG2 3.76Å; W172-V175 PolarHBondContact O-N 3.29Å; W173-V175 VanDerWaalsContact C-N 3.29Å; W173-V175 PolarHBondContact O-N 3.39Å; V175-Y177 VanDerWaalsContact C-N 3.28Å; V175-Y177 PolarHBondContact O-N 3.26Å; V175-W179 WeakPolarHBondContact O-CB 3.38Å; V175-W179 PolarHBondContact O-N 3.2Å; V175-Y199 HydrophobicContact CG1-CD2 4.22Å; V175-Y199 HydrophobicContact CG1-CE2 3.8Å; V175-Y199 HydrophobicContact CG2-CE2 4.22Å; V175-V218 HydrophobicContact CG2-CG1 3.82Å
176P91.2Very high89.9Confident84 Ų8450.1 Ų50.155%0.54524%0.238SC..Hα-helixtrans-63.6-33.517925.1-34.5000112.7W172 W173 A180W172-P176 VanDerWaalsContact O-CD 3.25Å; W172-P176 WeakPolarHBondContact O-CD 3.43Å; W173-P176 WeakPolarHBondContact O-CD 3.45Å; W173-P176 WeakPolarHBondContact O-CG 3.47Å; P176-A180 WeakPolarHBondContact O-CB 3.32Å; P176-A180 PolarHBondContact O-N 2.85Å
177Y87.7Confident89.6Confident91 Ų9151.9 Ų51.936%0.35725%0.247SC..Hα-helixtrans-63.1-56178.5176.7-98.4000112.3Q128 F132 W173 Q174 V175 W179 A180 G181Q128-Y177 PolarHBondContact NE2-OH 3.08Å; F132-Y177 HydrophobicContact CZ-CE2 4.05Å; F132-Y177 WeakPolarHBondContact CZ-OH 3.48Å; W173-Y177 HydrophobicContact CZ3-CG 4.38Å; Q174-Y177 PolarHBondContact O-N 2.75Å; V175-Y177 VanDerWaalsContact C-N 3.28Å; V175-Y177 PolarHBondContact O-N 3.26Å; Y177-W179 VanDerWaalsContact C-N 3.34Å; Y177-A180 PolarHBondContact O-N 2.82Å; Y177-G181 PolarHBondContact O-N 2.82Å
178Y88Confident89.2Confident35 Ų3553 Ų5314%0.13725%0.253CS..Hα-helixtrans-68.5-36179.2-68.9-53.8000111.6L167 I169 Q174 A180 G181 I182 L221 H352L167-Y178 HydrophobicContact CD2-CD1 3.77Å; L167-Y178 HydrophobicContact CD2-CD2 3.73Å; L167-Y178 HydrophobicContact CD2-CE1 4.05Å; L167-Y178 HydrophobicContact CD2-CE2 4.01Å; L167-Y178 HydrophobicContact CD2-CG 3.62Å; I169-Y178 HydrophobicContact CD1-CD2 4.14Å; I169-Y178 HydrophobicContact CG1-CD2 4.27Å; Q174-Y178 HydrophobicContact CB-CD2 3.75Å; Q174-Y178 HydrophobicContact CB-CE2 3.67Å; Q174-Y178 HydrophobicContact CG-CE2 3.94Å; Q174-Y178 WeakPolarHBondContact O-CB 3.44Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.24Å; Q174-Y178 PolarHBondContact O-N 2.75Å; Y178-A180 PolarHBondContact O-N 3.24Å; Y178-G181 PolarHBondContact O-N 3.31Å; Y178-I182 WeakPolarHBondContact O-CG1 3.31Å; Y178-I182 PolarHBondContact O-N 3.11Å; Y178-L221 WeakPolarHBondContact O-CD2 3.5Å; Y178-H352 PolarHBondContact OH-NE2 2.93Å; Y178-H352 VanDerWaalsContact OH-NE2 3.13Å
179W89.6Confident88.8Confident73 Ų7352.7 Ų52.728%0.27725%0.251SS..Hα-helixtrans-57.2-48.9175.2-175.8-110.6000112.1E27 V175 Y177 G181 I182 K183 L221E27-W179 WeakPolarHBondContact OE1-CZ2 3.2Å; V175-W179 WeakPolarHBondContact O-CB 3.38Å; V175-W179 PolarHBondContact O-N 3.2Å; Y177-W179 VanDerWaalsContact C-N 3.34Å; W179-G181 VanDerWaalsContact C-N 3.34Å; W179-G181 PolarHBondContact O-N 3.07Å; W179-I182 PolarHBondContact O-N 3.48Å; W179-K183 HydrophobicContact CD2-CG 4.07Å; W179-K183 HydrophobicContact CG-CG 4.42Å; W179-K183 HydrophobicContact CZ2-CD 4.28Å; W179-K183 HydrophobicContact CZ2-CG 4.33Å; W179-K183 VanDerWaalsContact O-CB 3.32Å; W179-K183 WeakPolarHBondContact O-CB 3.47Å; W179-K183 VanDerWaalsContact O-CG 3.24Å; W179-K183 WeakPolarHBondContact O-CG 3.26Å; W179-K183 PolarHBondContact O-N 2.78Å; W179-L221 HydrophobicContact CE3-CD1 3.36Å; W179-L221 HydrophobicContact CZ3-CD1 3.57Å
180A86Confident88.5Confident49 Ų4953.6 Ų53.641%0.40526%0.26SS..Hα-helixtrans-60.4-43.9177.500000111.9P176 Y177 Y178 M184P176-A180 WeakPolarHBondContact O-CB 3.32Å; P176-A180 PolarHBondContact O-N 2.85Å; Y177-A180 PolarHBondContact O-N 2.82Å; Y178-A180 PolarHBondContact O-N 3.24Å; A180-M184 WeakPolarHBondContact O-CB 3.29Å; A180-M184 PolarHBondContact O-N 2.93Å
181G84.5Confident88Confident37 Ų3754.8 Ų54.838%0.38128%0.281SS..Hα-helixtrans-62.4-45.417900000113.5Y177 Y178 W179 M184 Y185Y177-G181 PolarHBondContact O-N 2.82Å; Y178-G181 PolarHBondContact O-N 3.31Å; W179-G181 VanDerWaalsContact C-N 3.34Å; W179-G181 PolarHBondContact O-N 3.07Å; G181-M184 PolarHBondContact O-N 3.46Å; G181-Y185 PolarHBondContact O-N 3.11Å; G181-Y185 VanDerWaalsContact O-N 3.1Å
182I86.8Confident87.8Confident14 Ų1451.7 Ų51.77%0.07227%0.268CS..Hα-helixtrans-74.9-34.6-179.6-61.8-162.5000111.8Y178 W179 M184 Y185 D186 L221 Y223Y178-I182 WeakPolarHBondContact O-CG1 3.31Å; Y178-I182 PolarHBondContact O-N 3.11Å; W179-I182 PolarHBondContact O-N 3.48Å; I182-M184 VanDerWaalsContact C-N 3.31Å; I182-M184 PolarHBondContact O-N 3.39Å; I182-Y185 CarbonylContact O-C 3.5Å; I182-Y185 WeakPolarHBondContact O-CA 3.16Å; I182-Y185 WeakPolarHBondContact O-CB 3.4Å; I182-Y185 PolarHBondContact O-N 3.17Å; I182-Y185 VanDerWaalsContact O-N 3.07Å; I182-D186 PolarHBondContact O-N 3.08Å; I182-L221 HydrophobicContact CB-CD2 4.05Å; I182-L221 HydrophobicContact CD1-CD2 3.27Å; I182-L221 HydrophobicContact CD1-CG 3.67Å; I182-L221 HydrophobicContact CG1-CD2 3.68Å; I182-L221 HydrophobicContact CG1-CG 4.46Å; I182-Y223 HydrophobicContact CD1-CD1 3.93Å; I182-Y223 HydrophobicContact CD1-CG 4.19Å
183K88.6Confident87.6Confident0 Ų042.4 Ų42.40%023%0.233CC..Hα-helixtrans-68.2-34.1174.7-71.6-74.1167.6-179.80112.4M26 E27 W179 Y185 D186 L187 S197M26-K183 HydrophobicContact CE-CB 3.16Å; M26-K183 HydrophobicContact CE-CG 4.05Å; M26-K183 VanDerWaalsContact O-CD 3.32Å; M26-K183 WeakPolarHBondContact O-CD 3.47Å; M26-K183 HydrophobicContact SD-CB 3.74Å; E27-K183 WeakPolarHBondContact OE1-CE 3.44Å; E27-K183 IonicContact OE1-NZ 2.66Å; E27-K183 PolarHBondContact OE1-NZ 2.66Å; E27-K183 IonicContact OE2-NZ 2.73Å; W179-K183 HydrophobicContact CD2-CG 4.07Å; W179-K183 HydrophobicContact CG-CG 4.42Å; W179-K183 HydrophobicContact CZ2-CD 4.28Å; W179-K183 HydrophobicContact CZ2-CG 4.33Å; W179-K183 VanDerWaalsContact O-CB 3.32Å; W179-K183 WeakPolarHBondContact O-CB 3.47Å; W179-K183 VanDerWaalsContact O-CG 3.24Å; W179-K183 WeakPolarHBondContact O-CG 3.26Å; W179-K183 PolarHBondContact O-N 2.78Å; K183-Y185 VanDerWaalsContact C-N 3.28Å; K183-Y185 PolarHBondContact O-N 3.04Å; K183-D186 IonicContact NZ-OD2 3.6Å; K183-D186 PolarHBondContact O-N 3.04Å; K183-L187 WeakPolarHBondContact O-CG 3.18Å; K183-L187 PolarHBondContact O-N 3.22Å; K183-S197 WeakPolarHBondContact CE-OG 3.45Å; K183-S197 PolarHBondContact NZ-O 2.79Å; K183-S197 PolarHBondContact NZ-OG 3.41Å
184M84.6Confident87.4Confident77 Ų7735.7 Ų35.738%0.37921%0.209SC..Hα-helixtrans-61.1-40.4168-171.762.774.300111.3I131 A180 G181 I182 L187 I188I131-M184 HydrophobicContact CD1-CB 4.3Å; I131-M184 HydrophobicContact CD1-CG 3.6Å; A180-M184 WeakPolarHBondContact O-CB 3.29Å; A180-M184 PolarHBondContact O-N 2.93Å; G181-M184 PolarHBondContact O-N 3.46Å; I182-M184 VanDerWaalsContact C-N 3.31Å; I182-M184 PolarHBondContact O-N 3.39Å; M184-L187 PolarHBondContact O-N 2.92Å; M184-I188 HydrophobicContact CG-CD1 3.76Å; M184-I188 WeakPolarHBondContact O-CD1 3.48Å; M184-I188 VanDerWaalsContact O-CG1 3.31Å; M184-I188 WeakPolarHBondContact O-CG1 3.49Å; M184-I188 PolarHBondContact O-N 3.31Å; M184-I188 HydrophobicContact SD-CD1 4.16Å
185Y86.1Confident87.4Confident2 Ų238.9 Ų38.91%0.00822%0.222CC..Hα-helixtrans-60.9-44173.9-177.5-102.6000113G122 V124 L127 L146 R149 G181 I182 K183 L187 I188 S189G122-Y185 WeakPolarHBondContact CA-OH 3.34Å; G122-Y185 PolarHBondContact O-OH 3.32Å; V124-Y185 HydrophobicContact CB-CD2 4.22Å; V124-Y185 HydrophobicContact CB-CE2 4.09Å; V124-Y185 HydrophobicContact CG2-CD1 4.31Å; V124-Y185 HydrophobicContact CG2-CD2 3.75Å; V124-Y185 HydrophobicContact CG2-CE2 4.09Å; V124-Y185 HydrophobicContact CG2-CG 3.86Å; L127-Y185 HydrophobicContact CD2-CD2 3.71Å; L127-Y185 HydrophobicContact CD2-CG 4.16Å; L146-Y185 HydrophobicContact CD2-CE1 4.42Å; L146-Y185 HydrophobicContact CD2-CE2 3.87Å; L146-Y185 WeakPolarHBondContact CD2-OH 3.37Å; R149-Y185 PolarHBondContact NH1-OH 3.21Å; G181-Y185 PolarHBondContact O-N 3.11Å; G181-Y185 VanDerWaalsContact O-N 3.1Å; I182-Y185 CarbonylContact O-C 3.5Å; I182-Y185 WeakPolarHBondContact O-CA 3.16Å; I182-Y185 WeakPolarHBondContact O-CB 3.4Å; I182-Y185 PolarHBondContact O-N 3.17Å; I182-Y185 VanDerWaalsContact O-N 3.07Å; K183-Y185 VanDerWaalsContact C-N 3.28Å; K183-Y185 PolarHBondContact O-N 3.04Å; Y185-L187 VanDerWaalsContact C-N 3.33Å; Y185-L187 PolarHBondContact O-N 3.12Å; Y185-I188 PolarHBondContact O-N 2.96Å; Y185-S189 WeakPolarHBondContact O-CB 3.41Å; Y185-S189 PolarHBondContact O-N 2.96Å; Y185-S189 PolarHBondContact O-OG 3.14Å
186D88.7Confident87.3Confident3 Ų338 Ų382%0.01622%0.218CC..Hα-helixtrans-60.5-42.2175-74.8-4.7000111.9P30 I182 K183 S189 I193 S197P30-D186 HydrophobicContact CB-CB 3.98Å; P30-D186 HydrophobicContact CG-CB 3.8Å; I182-D186 PolarHBondContact O-N 3.08Å; K183-D186 IonicContact NZ-OD2 3.6Å; K183-D186 PolarHBondContact O-N 3.04Å; D186-S189 WeakPolarHBondContact O-CB 3.27Å; D186-S189 PolarHBondContact O-N 3.42Å; D186-I193 HydrophobicContact CB-CD1 3.96Å; D186-S197 WeakPolarHBondContact OD2-CB 3.19Å; D186-S197 PolarHBondContact OD2-N 2.78Å; D186-S197 PolarHBondContact OD2-OG 3.11Å
187L86.6Confident87.4Confident36 Ų3634.2 Ų34.219%0.18819%0.193CC..Hα-helixtrans-63.5-47.7178.2-78.2177000112.2L25 M26 V29 P30 K183 M184 Y185 S189 G190L25-L187 HydrophobicContact CD1-CD2 3.97Å; L25-L187 HydrophobicContact CD2-CD1 4.27Å; L25-L187 HydrophobicContact CG-CD1 3.94Å; L25-L187 HydrophobicContact CG-CD2 4.06Å; L25-L187 VanDerWaalsContact O-CD2 3.23Å; L25-L187 WeakPolarHBondContact O-CD2 3.27Å; M26-L187 HydrophobicContact SD-CD1 3.61Å; V29-L187 HydrophobicContact CB-CD2 4.24Å; V29-L187 HydrophobicContact CG1-CD2 4.15Å; P30-L187 HydrophobicContact CG-CD2 4.42Å; K183-L187 WeakPolarHBondContact O-CG 3.18Å; K183-L187 PolarHBondContact O-N 3.22Å; M184-L187 PolarHBondContact O-N 2.92Å; Y185-L187 VanDerWaalsContact C-N 3.33Å; Y185-L187 PolarHBondContact O-N 3.12Å; L187-S189 VanDerWaalsContact C-N 3.28Å; L187-S189 PolarHBondContact O-N 3.47Å; L187-G190 PolarHBondContact O-N 2.76Å; L187-G190 VanDerWaalsContact O-N 3.12Å
188I85.5Confident87.7Confident31 Ų3132.7 Ų32.716%0.15919%0.187CC..Hα-helixtrans-67.5-33.1180-68.6164.5000111L127 F139 V142 N143 L146 M184 Y185 G190L127-I188 HydrophobicContact CD1-CD1 3.23Å; L127-I188 HydrophobicContact CD2-CD1 3.89Å; L127-I188 HydrophobicContact CG-CD1 4.2Å; F139-I188 HydrophobicContact CD2-CD1 4.36Å; F139-I188 HydrophobicContact CE2-CD1 3.67Å; F139-I188 HydrophobicContact CE2-CG1 3.86Å; F139-I188 HydrophobicContact CE2-CG2 3.84Å; F139-I188 HydrophobicContact CZ-CG1 4.41Å; F139-I188 HydrophobicContact CZ-CG2 4.14Å; V142-I188 HydrophobicContact CG1-CG2 4.35Å; N143-I188 VanDerWaalsContact OD1-CG2 3.26Å; N143-I188 WeakPolarHBondContact OD1-CG2 3.46Å; L146-I188 HydrophobicContact CD1-CG2 4.13Å; M184-I188 HydrophobicContact CG-CD1 3.76Å; M184-I188 WeakPolarHBondContact O-CD1 3.48Å; M184-I188 VanDerWaalsContact O-CG1 3.31Å; M184-I188 WeakPolarHBondContact O-CG1 3.49Å; M184-I188 PolarHBondContact O-N 3.31Å; M184-I188 HydrophobicContact SD-CD1 4.16Å; Y185-I188 PolarHBondContact O-N 2.96Å; I188-G190 PolarHBondContact O-N 3.15Å; I188-G190 VanDerWaalsContact O-N 3.14Å
189S84Confident88Confident1 Ų134.4 Ų34.41%0.00719%0.194CC..Hα-helixtrans-57.2-27.2172.9-61.80000112.8L146 Y185 D186 L187 A191 Q192 I193L146-S189 WeakPolarHBondContact CD2-OG 3.43Å; Y185-S189 WeakPolarHBondContact O-CB 3.41Å; Y185-S189 PolarHBondContact O-N 2.96Å; Y185-S189 PolarHBondContact O-OG 3.14Å; D186-S189 WeakPolarHBondContact O-CB 3.27Å; D186-S189 PolarHBondContact O-N 3.42Å; L187-S189 VanDerWaalsContact C-N 3.28Å; L187-S189 PolarHBondContact O-N 3.47Å; S189-A191 PolarHBondContact O-N 2.8Å; S189-Q192 CarbonylContact O-C 3.45Å; S189-Q192 WeakPolarHBondContact O-CA 3.44Å; S189-Q192 VanDerWaalsContact O-CB 3.29Å; S189-Q192 WeakPolarHBondContact O-CB 3.38Å; S189-Q192 PolarHBondContact O-N 3.41Å; S189-I193 PolarHBondContact O-N 3.14Å
190G87.2Confident88.3Confident19 Ų1931.1 Ų31.120%0.19618%0.182CC..G310 helixtrans50.6-129.2173.500000112N33 L187 I188 Q192 I193N33-G190 VanDerWaalsContact CB-O 3.28Å; N33-G190 WeakPolarHBondContact CB-O 3.5Å; N33-G190 PolarHBondContact ND2-O 3.45Å; L187-G190 PolarHBondContact O-N 2.76Å; L187-G190 VanDerWaalsContact O-N 3.12Å; I188-G190 PolarHBondContact O-N 3.15Å; I188-G190 VanDerWaalsContact O-N 3.14Å; G190-Q192 PolarHBondContact O-N 2.86Å; G190-I193 WeakPolarHBondContact O-CB 3.43Å; G190-I193 VanDerWaalsContact O-CG2 3.3Å; G190-I193 WeakPolarHBondContact O-CG2 3.36Å; G190-I193 PolarHBondContact O-N 3.06Å
191A83.8Confident88.8Confident78 Ų7832.1 Ų32.165%0.64518%0.18SC*.G310 helixtrans-69.8-12177.400000114.8S189S189-A191 PolarHBondContact O-N 2.8Å
192Q87.6Confident89.3Confident55 Ų5534.4 Ų34.426%0.25718%0.18SC..G310 helixtrans-94.24.1-179.7-56.2160.4-0.200112.1N143 S147 S189 G190 L194N143-Q192 PolarHBondContact O-OE1 3.3Å; S147-Q192 VanDerWaalsContact CB-NE2 3.29Å; S189-Q192 CarbonylContact O-C 3.45Å; S189-Q192 WeakPolarHBondContact O-CA 3.44Å; S189-Q192 VanDerWaalsContact O-CB 3.29Å; S189-Q192 WeakPolarHBondContact O-CB 3.38Å; S189-Q192 PolarHBondContact O-N 3.41Å; G190-Q192 PolarHBondContact O-N 2.86Å; Q192-L194 PolarHBondContact O-N 3.25Å
193I88.3Confident89.8Confident2 Ų237.9 Ų37.91%0.0121%0.205CC..  trans-58.6132.6174.4-165.5172000110P30 N33 E34 R37 D186 S189 G190P30-I193 HydrophobicContact CB-CD1 3.66Å; N33-I193 HydrophobicContact CB-CG2 3.7Å; E34-I193 HydrophobicContact CB-CG2 4.22Å; R37-I193 WeakPolarHBondContact CD-O 3.09Å; D186-I193 HydrophobicContact CB-CD1 3.96Å; S189-I193 PolarHBondContact O-N 3.14Å; G190-I193 WeakPolarHBondContact O-CB 3.43Å; G190-I193 VanDerWaalsContact O-CG2 3.3Å; G190-I193 WeakPolarHBondContact O-CG2 3.36Å; G190-I193 PolarHBondContact O-N 3.06Å
194L89Confident90.1Very high12 Ų1241.3 Ų41.36%0.06322%0.221CC..SBendtrans-79.5-57176.3-60.7-177.9000110.2R149 I153 P162 Q192 D225R149-L194 HydrophobicContact CG-CD1 4.48Å; I153-L194 HydrophobicContact CD1-CD1 3.68Å; I153-L194 HydrophobicContact CD1-CD2 3.61Å; I153-L194 HydrophobicContact CD1-CG 4.31Å; P162-L194 HydrophobicContact CB-CB 4.13Å; P162-L194 HydrophobicContact CB-CD1 4.05Å; P162-L194 HydrophobicContact CG-CB 4.23Å; P162-L194 HydrophobicContact CG-CD1 4.3Å; P162-L194 HydrophobicContact CG-CD2 4.45Å; Q192-L194 PolarHBondContact O-N 3.25Å; L194-D225 VanDerWaalsContact CD1-O 3.29Å; L194-D225 WeakPolarHBondContact CD1-O 3.49Å
195K90.2Very high90.6Very high90 Ų9037.6 Ų37.639%0.39120%0.203SC..SBendtrans-152.2153172.2-62.4-173.4-177.5177.20109.3E34 Y224E34-K195 WeakPolarHBondContact OE2-CA 3.26Å; K195-Y224 HydrophobicContact CB-CD1 4.14Å; K195-Y224 HydrophobicContact CB-CD2 3.53Å; K195-Y224 HydrophobicContact CB-CE1 4.17Å; K195-Y224 HydrophobicContact CB-CE2 3.53Å; K195-Y224 HydrophobicContact CB-CG 3.81Å; K195-Y224 HydrophobicContact CD-CD1 4.14Å; K195-Y224 HydrophobicContact CD-CE1 3.61Å; K195-Y224 HydrophobicContact CD-CE2 4.21Å; K195-Y224 HydrophobicContact CG-CD1 4.36Å; K195-Y224 HydrophobicContact CG-CE1 4.28Å; K195-Y224 HydrophobicContact CG-CE2 4.45Å; K195-Y224 HydrophobicContact CG-CG 4.48Å
196A90.1Very high90.9Very high10 Ų1039 Ų398%0.08321%0.211CC..  trans-65.6140.7178.100000112.2P30 R31 E34P30-A196 HydrophobicContact CB-CB 4.08Å; R31-A196 HydrophobicContact CG-CB 3.98Å; E34-A196 PolarHBondContact OE2-N 2.76Å
197S92.8Very high91.1Very high3 Ų345.9 Ų45.92%0.02124%0.242CC..  trans-69.3151.6172.866.40000112.1K183 D186 V222K183-S197 WeakPolarHBondContact CE-OG 3.45Å; K183-S197 PolarHBondContact NZ-O 2.79Å; K183-S197 PolarHBondContact NZ-OG 3.41Å; D186-S197 WeakPolarHBondContact OD2-CB 3.19Å; D186-S197 PolarHBondContact OD2-N 2.78Å; D186-S197 PolarHBondContact OD2-OG 3.11Å; S197-V222 WeakPolarHBondContact CA-O 3.4Å; S197-V222 VanDerWaalsContact CB-O 3.24Å; S197-V222 WeakPolarHBondContact CB-O 3.48Å
198Y94.1Very high91.3Very high60 Ų6048.9 Ų48.924%0.23525%0.251CS..EExtended strand (participates in β ladder)trans-149155.3-178.661.1-89.2000112.1L200 V222 Y224 M346Y198-L200 HydrophobicContact CD2-CD2 3.7Å; Y198-L200 HydrophobicContact CD2-CG 4Å; Y198-L200 HydrophobicContact CE2-CD1 4.06Å; Y198-L200 HydrophobicContact CE2-CD2 3.51Å; Y198-L200 HydrophobicContact CE2-CG 3.73Å; Y198-V222 HydrophobicContact CD1-CB 4.26Å; Y198-V222 HydrophobicContact CD1-CG1 4.48Å; Y198-V222 HydrophobicContact CD2-CB 4.13Å; Y198-V222 HydrophobicContact CD2-CG2 4.31Å; Y198-V222 HydrophobicContact CE1-CB 3.85Å; Y198-V222 HydrophobicContact CE1-CG1 3.7Å; Y198-V222 HydrophobicContact CE2-CB 3.7Å; Y198-V222 HydrophobicContact CE2-CG1 4.22Å; Y198-V222 HydrophobicContact CE2-CG2 3.66Å; Y198-V222 HydrophobicContact CG-CB 4.4Å; Y198-V222 PolarHBondContact N-O 2.97Å; Y198-V222 PolarHBondContact O-N 2.96Å; Y198-Y224 HydrophobicContact CD1-CE2 4.24Å; Y198-Y224 AromaticContact CE1-CE2 3.71Å; Y198-Y224 HydrophobicContact CE1-CE2 3.71Å; Y198-M346 WeakPolarHBondContact OH-CE 3.31Å
199Y94.6Very high91.6Very high70 Ų7047.8 Ų47.828%0.27525%0.246SC..EExtended strand (participates in β ladder)trans-97140.3176.7-179.9-100.7000110.5V175 N201 V218 G219V175-Y199 HydrophobicContact CG1-CD2 4.22Å; V175-Y199 HydrophobicContact CG1-CE2 3.8Å; V175-Y199 HydrophobicContact CG2-CE2 4.22Å; Y199-N201 HydrophobicContact CE1-CB 4.41Å; Y199-V218 PolarHBondContact OH-O 2.8Å; Y199-G219 WeakPolarHBondContact OH-CA 3.45Å
200L95Very high91.9Very high4 Ų451.3 Ų51.32%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-111.3126.8171.7-63.2-178.2000108.9M166 Y198 Q204 A205 R208 G219 G220 V222M166-L200 HydrophobicContact SD-CD1 4.33Å; Y198-L200 HydrophobicContact CD2-CD2 3.7Å; Y198-L200 HydrophobicContact CD2-CG 4Å; Y198-L200 HydrophobicContact CE2-CD1 4.06Å; Y198-L200 HydrophobicContact CE2-CD2 3.51Å; Y198-L200 HydrophobicContact CE2-CG 3.73Å; L200-Q204 HydrophobicContact CB-CB 4.07Å; L200-Q204 HydrophobicContact CD2-CB 4.04Å; L200-A205 HydrophobicContact CB-CB 4.41Å; L200-R208 VanDerWaalsContact CD1-NH1 3.26Å; L200-G219 CarbonylContact O-C 3.6Å; L200-G219 VanDerWaalsContact O-CA 3.22Å; L200-G219 WeakPolarHBondContact O-CA 3.46Å; L200-G220 WeakPolarHBondContact CA-O 3.48Å; L200-G220 WeakPolarHBondContact CB-O 3.47Å; L200-G220 PolarHBondContact N-O 3.02Å; L200-G220 PolarHBondContact O-N 3.03Å; L200-V222 HydrophobicContact CD1-CG2 3.69Å; L200-V222 HydrophobicContact CG-CG2 4.07Å
201N96.1Very high92.1Very high71 Ų7152.1 Ų52.138%0.3827%0.268SS..EExtended strand (participates in β ladder)trans-67.3167.2169.569.543.8000110.6Y199 S203 Q204 A205Y199-N201 HydrophobicContact CE1-CB 4.41Å; N201-S203 VanDerWaalsContact C-N 3.28Å; N201-S203 PolarHBondContact O-N 3.42Å; N201-S203 WeakPolarHBondContact OD1-CB 3.35Å; N201-S203 PolarHBondContact OD1-N 2.93Å; N201-S203 VanDerWaalsContact OD1-N 3.09Å; N201-Q204 PolarHBondContact ND2-OE1 3.45Å; N201-Q204 PolarHBondContact O-N 2.97Å; N201-Q204 VanDerWaalsContact O-N 3.1Å; N201-Q204 WeakPolarHBondContact OD1-CG 3.42Å; N201-Q204 PolarHBondContact OD1-N 3.1Å; N201-A205 PolarHBondContact O-N 3.38Å
202K96Very high92.4Very high84 Ų8448.4 Ų48.437%0.36524%0.237SC..Hα-helixtrans-47.2-47.4180-174.6-179.9-171.9151.60113.6A205 L206 R214 L217 V218K202-A205 PolarHBondContact O-N 3.1Å; K202-L206 HydrophobicContact CG-CD1 4.02Å; K202-L206 WeakPolarHBondContact O-CG 3.49Å; K202-L206 PolarHBondContact O-N 2.65Å; K202-R214 WeakPolarHBondContact CE-O 3.31Å; K202-R214 PolarHBondContact NZ-O 3.41Å; K202-L217 VanDerWaalsContact CD-O 3.27Å; K202-L217 WeakPolarHBondContact CD-O 3.34Å; K202-L217 HydrophobicContact CG-CD2 4.16Å; K202-L217 HydrophobicContact CG-CG 4.31Å; K202-L217 PolarHBondContact NZ-O 3.33Å; K202-V218 PolarHBondContact N-O 3.39Å
203S96.2Very high92.6Very high87 Ų8749.3 Ų49.361%0.60824%0.24SC*.Hα-helixtrans-63.7-45.8-178.7-169.20000111.6N201 A205 L206 E207N201-S203 VanDerWaalsContact C-N 3.28Å; N201-S203 PolarHBondContact O-N 3.42Å; N201-S203 WeakPolarHBondContact OD1-CB 3.35Å; N201-S203 PolarHBondContact OD1-N 2.93Å; N201-S203 VanDerWaalsContact OD1-N 3.09Å; S203-A205 VanDerWaalsContact C-N 3.32Å; S203-A205 PolarHBondContact O-N 3.23Å; S203-L206 PolarHBondContact O-N 3.29Å; S203-E207 WeakPolarHBondContact O-CB 3.43Å; S203-E207 PolarHBondContact O-N 2.72Å
204Q95.7Very high92.8Very high72 Ų7255.5 Ų55.534%0.33626%0.263SS..Hα-helixtrans-68-31.2179.8-69.5172.8-36.600113.1L200 N201 R208L200-Q204 HydrophobicContact CB-CB 4.07Å; L200-Q204 HydrophobicContact CD2-CB 4.04Å; N201-Q204 PolarHBondContact ND2-OE1 3.45Å; N201-Q204 PolarHBondContact O-N 2.97Å; N201-Q204 VanDerWaalsContact O-N 3.1Å; N201-Q204 WeakPolarHBondContact OD1-CG 3.42Å; N201-Q204 PolarHBondContact OD1-N 3.1Å; Q204-R208 PolarHBondContact O-N 3.18Å; Q204-R208 PolarHBondContact O-NH1 3.33Å; Q204-R208 VanDerWaalsContact O-NH1 3.13Å
205A94.1Very high92.9Very high0 Ų059.3 Ų59.30%028%0.284CS..Hα-helixtrans-69.6-46.1174.500000110.6M166 L200 N201 K202 S203 R208 F209 L217M166-A205 HydrophobicContact SD-CB 4.16Å; L200-A205 HydrophobicContact CB-CB 4.41Å; N201-A205 PolarHBondContact O-N 3.38Å; K202-A205 PolarHBondContact O-N 3.1Å; S203-A205 VanDerWaalsContact C-N 3.32Å; S203-A205 PolarHBondContact O-N 3.23Å; A205-R208 PolarHBondContact O-N 2.88Å; A205-F209 PolarHBondContact O-N 3.35Å; A205-L217 HydrophobicContact CB-CD2 4.5Å
206L93.6Very high93Very high32 Ų3262.1 Ų62.117%0.16830%0.296CS..Hα-helixtrans-70-29.1177.7-68.4173.7000113.3K202 S203 F209 P210 L212 R214 L217K202-L206 HydrophobicContact CG-CD1 4.02Å; K202-L206 WeakPolarHBondContact O-CG 3.49Å; K202-L206 PolarHBondContact O-N 2.65Å; S203-L206 PolarHBondContact O-N 3.29Å; L206-F209 CarbonylContact O-C 3.52Å; L206-F209 VanDerWaalsContact O-C 3.25Å; L206-P210 WeakPolarHBondContact O-CA 3.49Å; L206-P210 WeakPolarHBondContact O-CG 3.01Å; L206-P210 VanDerWaalsContact O-N 3.08Å; L206-L212 HydrophobicContact CD2-CB 4.14Å; L206-R214 HydrophobicContact CD1-CG 4.01Å; L206-R214 HydrophobicContact CD2-CG 3.77Å; L206-L217 HydrophobicContact CD1-CD2 4.39Å; L206-L217 HydrophobicContact CD2-CD2 3.79Å; L206-L217 HydrophobicContact CG-CD2 3.86Å
207E93.2Very high93.3Very high146 Ų14661.9 Ų61.968%0.68229%0.294SS*.Hα-helixtrans-64.5-43172.4-176.2-174.1173.700111.4S203S203-E207 WeakPolarHBondContact O-CB 3.43Å; S203-E207 PolarHBondContact O-N 2.72Å
208R91.3Very high93.4Very high99 Ų9962.4 Ų62.437%0.37430%0.297SS..Hα-helixtrans-77.6-32.7178.1-70.7-174.8-177.979.6-6.6113L200 Q204 A205L200-R208 VanDerWaalsContact CD1-NH1 3.26Å; Q204-R208 PolarHBondContact O-N 3.18Å; Q204-R208 PolarHBondContact O-NH1 3.33Å; Q204-R208 VanDerWaalsContact O-NH1 3.13Å; A205-R208 PolarHBondContact O-N 2.88Å
209F91.6Very high93.5Very high9 Ų959.6 Ų59.64%0.03929%0.285CS..  trans-132.783177-165.6-153.5000111.9M166 A205 L206 L211 L212 Y341 P343 L348 L401M166-F209 HydrophobicContact CE-CB 3.93Å; M166-F209 HydrophobicContact CE-CD1 4.16Å; A205-F209 PolarHBondContact O-N 3.35Å; L206-F209 CarbonylContact O-C 3.52Å; L206-F209 VanDerWaalsContact O-C 3.25Å; F209-L211 HydrophobicContact CD2-CB 4.29Å; F209-L211 HydrophobicContact CE2-CB 3.74Å; F209-L211 HydrophobicContact CE2-CD1 4.45Å; F209-L211 HydrophobicContact CE2-CG 4.25Å; F209-L211 HydrophobicContact CZ-CB 4.16Å; F209-L211 PolarHBondContact O-N 3.09Å; F209-L212 HydrophobicContact CB-CB 4.27Å; F209-L212 HydrophobicContact CD1-CB 3.54Å; F209-L212 HydrophobicContact CD1-CD1 3.88Å; F209-L212 HydrophobicContact CD1-CD2 4.45Å; F209-L212 HydrophobicContact CD1-CG 4.15Å; F209-L212 HydrophobicContact CE1-CB 4.04Å; F209-L212 HydrophobicContact CE1-CD1 3.97Å; F209-L212 HydrophobicContact CG-CB 4.06Å; F209-L212 VanDerWaalsContact O-CB 3.25Å; F209-L212 WeakPolarHBondContact O-CB 3.49Å; F209-L212 PolarHBondContact O-N 3.44Å; F209-L212 VanDerWaalsContact O-N 3.12Å; F209-Y341 WeakPolarHBondContact CZ-O 3.37Å; F209-P343 HydrophobicContact CB-CG 3.72Å; F209-P343 HydrophobicContact CD1-CG 4.35Å; F209-P343 HydrophobicContact CD2-CG 3.79Å; F209-P343 HydrophobicContact CG-CG 3.69Å; F209-L348 HydrophobicContact CD1-CD1 3.56Å; F209-L348 HydrophobicContact CE1-CD1 3.54Å; F209-L401 HydrophobicContact CE1-CD2 4.35Å; F209-L401 HydrophobicContact CE2-CD2 4.47Å; F209-L401 HydrophobicContact CZ-CD2 3.65Å
210P90.4Very high93.4Very high74 Ų7456.2 Ų56.248%0.48127%0.272SS..THydrogen-bonded Turntrans-63.2-26.4-176.4-25.935.7000114.6L206 L212L206-P210 WeakPolarHBondContact O-CA 3.49Å; L206-P210 WeakPolarHBondContact O-CG 3.01Å; L206-P210 VanDerWaalsContact O-N 3.08Å; P210-L212 VanDerWaalsContact C-N 3.27Å; P210-L212 PolarHBondContact O-N 2.77Å
211L90.1Very high93.4Very high36 Ų3656.1 Ų56.119%0.18827%0.272CS..THydrogen-bonded Turntrans-80.3-7.5-180-49.1-172.6000113F209 Y340 L401 S402 I405F209-L211 HydrophobicContact CD2-CB 4.29Å; F209-L211 HydrophobicContact CE2-CB 3.74Å; F209-L211 HydrophobicContact CE2-CD1 4.45Å; F209-L211 HydrophobicContact CE2-CG 4.25Å; F209-L211 HydrophobicContact CZ-CB 4.16Å; F209-L211 PolarHBondContact O-N 3.09Å; L211-Y340 HydrophobicContact CD1-CD2 4.38Å; L211-Y340 WeakPolarHBondContact CD1-O 3.21Å; L211-L401 HydrophobicContact CB-CD2 4Å; L211-L401 CarbonylContact O-C 3.58Å; L211-L401 VanDerWaalsContact O-CA 3.29Å; L211-L401 WeakPolarHBondContact O-CA 3.44Å; L211-S402 PolarHBondContact O-N 3.05Å; L211-I405 HydrophobicContact CB-CG1 4.49Å; L211-I405 HydrophobicContact CD2-CD1 3.81Å; L211-I405 HydrophobicContact CD2-CG1 3.96Å
212L91.2Very high93.3Very high0 Ų052.7 Ų52.70%025%0.254CS..BIsolated β-bridgetrans-63.5139.5178.9-171.662.2000111M166 P168 L206 F209 P210 R214 L217 L348M166-L212 HydrophobicContact CE-CD2 4.12Å; P168-L212 HydrophobicContact CB-CD1 4.08Å; P168-L212 HydrophobicContact CB-CD2 4.01Å; P168-L212 HydrophobicContact CG-CD1 4.32Å; L206-L212 HydrophobicContact CD2-CB 4.14Å; F209-L212 HydrophobicContact CB-CB 4.27Å; F209-L212 HydrophobicContact CD1-CB 3.54Å; F209-L212 HydrophobicContact CD1-CD1 3.88Å; F209-L212 HydrophobicContact CD1-CD2 4.45Å; F209-L212 HydrophobicContact CD1-CG 4.15Å; F209-L212 HydrophobicContact CE1-CB 4.04Å; F209-L212 HydrophobicContact CE1-CD1 3.97Å; F209-L212 HydrophobicContact CG-CB 4.06Å; F209-L212 VanDerWaalsContact O-CB 3.25Å; F209-L212 WeakPolarHBondContact O-CB 3.49Å; F209-L212 PolarHBondContact O-N 3.44Å; F209-L212 VanDerWaalsContact O-N 3.12Å; P210-L212 VanDerWaalsContact C-N 3.27Å; P210-L212 PolarHBondContact O-N 2.77Å; L212-R214 PolarHBondContact O-N 3.01Å; L212-L217 HydrophobicContact CD2-CD1 3.96Å; L212-L217 HydrophobicContact CD2-CD2 3.72Å; L212-L217 HydrophobicContact CG-CD2 4.36Å; L212-L348 HydrophobicContact CD1-CD1 3.9Å
213K91Very high93.2Very high74 Ų7448.9 Ų48.932%0.32224%0.237SC..  trans-55.2120.8174.3-176.4175.2-175.5169.20111.5Y170 Y400Y170-K213 HydrophobicContact CE1-CB 4.42Å; Y170-K213 HydrophobicContact CE1-CG 4.49Å; Y170-K213 PolarHBondContact OH-O 2.97Å; K213-Y400 WeakPolarHBondContact CB-O 3.28Å; K213-Y400 PolarHBondContact N-O 2.95Å
214R92.5Very high93Very high132 Ų13246.2 Ų46.250%0.49821%0.214SC..  trans-83.1-29.4-174.3-62.1179.9-179.6169.31.7113.8K202 L206 L212 K216 L217K202-R214 WeakPolarHBondContact CE-O 3.31Å; K202-R214 PolarHBondContact NZ-O 3.41Å; L206-R214 HydrophobicContact CD1-CG 4.01Å; L206-R214 HydrophobicContact CD2-CG 3.77Å; L212-R214 PolarHBondContact O-N 3.01Å; R214-K216 PolarHBondContact O-N 3.34Å; R214-L217 PolarHBondContact O-N 2.82Å
215D91.9Very high92.9Very high93 Ų9342.8 Ų42.850%0.49720%0.197SC..THydrogen-bonded Turntrans-61.7132.6-178.6-178.251.4000110.1Y170 L217Y170-D215 VanDerWaalsContact CD1-O 3.31Å; Y170-D215 WeakPolarHBondContact CD1-O 3.42Å; Y170-D215 WeakPolarHBondContact CE1-O 3.24Å; D215-L217 PolarHBondContact O-N 3.16Å
216K92.4Very high92.9Very high148 Ų14842.8 Ų42.864%0.64320%0.197SC*.THydrogen-bonded Turntrans56.9-0.8-178.9-61.9165.8-169.9172.30116.8Y170 R214 V218Y170-K216 CarbonylContact C-O 3.52Å; Y170-K216 WeakPolarHBondContact CA-O 3.11Å; Y170-K216 HydrophobicContact CD1-CB 4.26Å; Y170-K216 VanDerWaalsContact O-O 3.11Å; R214-K216 PolarHBondContact O-N 3.34Å; K216-V218 PolarHBondContact O-N 3.36Å
217L94.7Very high93Very high6 Ų641.3 Ų41.33%0.03119%0.19CC..  trans-60.3123.8177.5-176.569.1000110.1P168 Y170 K202 A205 L206 L212 R214 D215 G219P168-L217 HydrophobicContact CB-CD1 4.14Å; Y170-L217 HydrophobicContact CD1-CB 4.25Å; Y170-L217 HydrophobicContact CD1-CD1 4.49Å; Y170-L217 HydrophobicContact CE1-CB 4.02Å; Y170-L217 HydrophobicContact CE1-CD1 4.1Å; K202-L217 VanDerWaalsContact CD-O 3.27Å; K202-L217 WeakPolarHBondContact CD-O 3.34Å; K202-L217 HydrophobicContact CG-CD2 4.16Å; K202-L217 HydrophobicContact CG-CG 4.31Å; K202-L217 PolarHBondContact NZ-O 3.33Å; A205-L217 HydrophobicContact CB-CD2 4.5Å; L206-L217 HydrophobicContact CD1-CD2 4.39Å; L206-L217 HydrophobicContact CD2-CD2 3.79Å; L206-L217 HydrophobicContact CG-CD2 3.86Å; L212-L217 HydrophobicContact CD2-CD1 3.96Å; L212-L217 HydrophobicContact CD2-CD2 3.72Å; L212-L217 HydrophobicContact CG-CD2 4.36Å; R214-L217 PolarHBondContact O-N 2.82Å; D215-L217 PolarHBondContact O-N 3.16Å; L217-G219 WeakPolarHBondContact CD1-O 3.43Å
218V95.4Very high93.2Very high14 Ų1434.4 Ų34.49%0.08516%0.158CC..  trans-94.6-39.4177.6177.60000110.4I169 W172 V175 Y199 K202 K216I169-V218 WeakPolarHBondContact O-CB 3.32Å; I169-V218 PolarHBondContact O-N 2.79Å; W172-V218 HydrophobicContact CD2-CG1 3.6Å; W172-V218 HydrophobicContact CD2-CG2 4.2Å; W172-V218 HydrophobicContact CE3-CG1 3.53Å; W172-V218 HydrophobicContact CG-CG1 4.31Å; W172-V218 HydrophobicContact CG-CG2 4.19Å; W172-V218 HydrophobicContact CH2-CG1 3.84Å; W172-V218 HydrophobicContact CZ2-CG1 3.89Å; W172-V218 HydrophobicContact CZ3-CG1 3.65Å; V175-V218 HydrophobicContact CG2-CG1 3.82Å; Y199-V218 PolarHBondContact OH-O 2.8Å; K202-V218 PolarHBondContact N-O 3.39Å; K216-V218 PolarHBondContact O-N 3.36Å
219G95.7Very high93.5Very high0 Ų030.1 Ų30.10%014%0.142CC..EExtended strand (participates in β ladder)trans170-164.6-179.800000111.5I169 Y199 L200 L217I169-G219 PolarHBondContact N-O 2.75Å; I169-G219 PolarHBondContact O-N 3.47Å; Y199-G219 WeakPolarHBondContact OH-CA 3.45Å; L200-G219 CarbonylContact O-C 3.6Å; L200-G219 VanDerWaalsContact O-CA 3.22Å; L200-G219 WeakPolarHBondContact O-CA 3.46Å; L217-G219 WeakPolarHBondContact CD1-O 3.43Å
220G94.4Very high93.8Very high0 Ų029.7 Ų29.70%014%0.14CC..EExtended strand (participates in β ladder)trans-137.1139.1178.100000111.3L167 L200L167-G220 CarbonylContact O-C 3.54Å; L167-G220 WeakPolarHBondContact O-CA 3.36Å; L200-G220 WeakPolarHBondContact CA-O 3.48Å; L200-G220 WeakPolarHBondContact CB-O 3.47Å; L200-G220 PolarHBondContact N-O 3.02Å; L200-G220 PolarHBondContact O-N 3.03Å
221L94.4Very high94.1Very high1 Ų126.3 Ų26.31%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-101.9127.2173.7178.759.8000109.4M166 L167 I169 Y178 W179 I182M166-L221 CarbonylContact C-O 3.56Å; M166-L221 WeakPolarHBondContact CA-O 3.38Å; L167-L221 HydrophobicContact CB-CB 4.45Å; L167-L221 PolarHBondContact N-O 3.49Å; L167-L221 PolarHBondContact O-N 3.02Å; I169-L221 HydrophobicContact CD1-CB 4.05Å; Y178-L221 WeakPolarHBondContact O-CD2 3.5Å; W179-L221 HydrophobicContact CE3-CD1 3.36Å; W179-L221 HydrophobicContact CZ3-CD1 3.57Å; I182-L221 HydrophobicContact CB-CD2 4.05Å; I182-L221 HydrophobicContact CD1-CD2 3.27Å; I182-L221 HydrophobicContact CD1-CG 3.67Å; I182-L221 HydrophobicContact CG1-CD2 3.68Å; I182-L221 HydrophobicContact CG1-CG 4.46Å
222V94.4Very high94.5Very high0 Ų024.7 Ų24.70%011%0.109CC..EExtended strand (participates in β ladder)trans-110.7126.2-179.3-176.80000110.4P164 I165 M166 S197 Y198 L200 M346P164-V222 HydrophobicContact CB-CG1 3.68Å; I165-V222 WeakPolarHBondContact O-CA 3.33Å; M166-V222 HydrophobicContact CB-CG2 4.13Å; M166-V222 HydrophobicContact CG-CG2 4.21Å; S197-V222 WeakPolarHBondContact CA-O 3.4Å; S197-V222 VanDerWaalsContact CB-O 3.24Å; S197-V222 WeakPolarHBondContact CB-O 3.48Å; Y198-V222 HydrophobicContact CD1-CB 4.26Å; Y198-V222 HydrophobicContact CD1-CG1 4.48Å; Y198-V222 HydrophobicContact CD2-CB 4.13Å; Y198-V222 HydrophobicContact CD2-CG2 4.31Å; Y198-V222 HydrophobicContact CE1-CB 3.85Å; Y198-V222 HydrophobicContact CE1-CG1 3.7Å; Y198-V222 HydrophobicContact CE2-CB 3.7Å; Y198-V222 HydrophobicContact CE2-CG1 4.22Å; Y198-V222 HydrophobicContact CE2-CG2 3.66Å; Y198-V222 HydrophobicContact CG-CB 4.4Å; Y198-V222 PolarHBondContact N-O 2.97Å; Y198-V222 PolarHBondContact O-N 2.96Å; L200-V222 HydrophobicContact CD1-CG2 3.69Å; L200-V222 HydrophobicContact CG-CG2 4.07Å; V222-M346 HydrophobicContact CG1-CE 3.94Å; V222-M346 HydrophobicContact CG2-CE 3.82Å; V222-M346 HydrophobicContact CG2-SD 4.24Å
223Y93Very high94.9Very high3 Ų324.7 Ų24.71%0.01211%0.109CC..EExtended strand (participates in β ladder)trans-119.9168.9167.678.1-81.3000110.1P164 I165 I182 D225 L349P164-Y223 CarbonylContact C-O 3.56Å; P164-Y223 WeakPolarHBondContact CA-O 3.02Å; I165-Y223 HydrophobicContact CB-CD1 4.2Å; I165-Y223 HydrophobicContact CB-CE1 3.68Å; I165-Y223 HydrophobicContact CD1-CE2 4.33Å; I165-Y223 HydrophobicContact CG2-CE1 3.7Å; I165-Y223 PolarHBondContact N-O 2.69Å; I165-Y223 WeakPolarHBondContact O-CD1 3.5Å; I165-Y223 PolarHBondContact O-N 3.15Å; I165-Y223 VanDerWaalsContact O-N 3.09Å; I182-Y223 HydrophobicContact CD1-CD1 3.93Å; I182-Y223 HydrophobicContact CD1-CG 4.19Å; Y223-D225 HydrophobicContact CE2-CB 4.08Å; Y223-L349 HydrophobicContact CE1-CD2 4.24Å
224Y92.9Very high95.2Very high31 Ų3121.1 Ų21.112%0.1229%0.094CC..EExtended strand (participates in β ladder)trans-114.1132.8179-72.6-95.4000111.5R149 P162 L163 P164 K195 Y198R149-Y224 PolarHBondContact NH1-O 3.19Å; P162-Y224 HydrophobicContact CB-CD1 4.34Å; L163-Y224 WeakPolarHBondContact O-CA 3.33Å; P164-Y224 HydrophobicContact CB-CD1 3.94Å; P164-Y224 HydrophobicContact CB-CE1 3.5Å; P164-Y224 HydrophobicContact CG-CE1 3.93Å; K195-Y224 HydrophobicContact CB-CD1 4.14Å; K195-Y224 HydrophobicContact CB-CD2 3.53Å; K195-Y224 HydrophobicContact CB-CE1 4.17Å; K195-Y224 HydrophobicContact CB-CE2 3.53Å; K195-Y224 HydrophobicContact CB-CG 3.81Å; K195-Y224 HydrophobicContact CD-CD1 4.14Å; K195-Y224 HydrophobicContact CD-CE1 3.61Å; K195-Y224 HydrophobicContact CD-CE2 4.21Å; K195-Y224 HydrophobicContact CG-CD1 4.36Å; K195-Y224 HydrophobicContact CG-CE1 4.28Å; K195-Y224 HydrophobicContact CG-CE2 4.45Å; K195-Y224 HydrophobicContact CG-CG 4.48Å; Y198-Y224 HydrophobicContact CD1-CE2 4.24Å; Y198-Y224 AromaticContact CE1-CE2 3.71Å; Y198-Y224 HydrophobicContact CE1-CE2 3.71Å
225D92.3Very high95.5Very high0 Ų015 Ų150%07%0.071CC..EExtended strand (participates in β ladder)trans-122.3-174.6166.8-142.1-8.7000110.5H121 G122 R149 P162 L163 I165 L194 Y223H121-D225 WeakPolarHBondContact CA-OD2 3.45Å; H121-D225 IonicContact CE1-OD2 3.83Å; H121-D225 IonicContact CG-OD2 3.16Å; H121-D225 IonicContact ND1-OD2 3.89Å; H121-D225 PolarHBondContact ND1-OD2 3.39Å; G122-D225 PolarHBondContact N-OD1 3.32Å; R149-D225 VanDerWaalsContact CD-OD1 3.25Å; R149-D225 WeakPolarHBondContact CD-OD1 3.26Å; R149-D225 IonicContact CZ-OD1 2.72Å; R149-D225 IonicContact NE-OD1 3.18Å; R149-D225 IonicContact NH1-OD1 3.39Å; R149-D225 PolarHBondContact NH1-OD1 3.1Å; P162-D225 CarbonylContact C-O 3.42Å; P162-D225 WeakPolarHBondContact CA-O 3.38Å; L163-D225 PolarHBondContact N-O 3.46Å; L163-D225 PolarHBondContact O-N 3.08Å; I165-D225 HydrophobicContact CD1-CB 3.9Å; L194-D225 VanDerWaalsContact CD1-O 3.29Å; L194-D225 WeakPolarHBondContact CD1-O 3.49Å; Y223-D225 HydrophobicContact CE2-CB 4.08Å
226G94.5Very high95.9Very high0 Ų010.6 Ų10.60%05%0.048CC..EExtended strand (participates in β ladder)trans-97.3147.1171.200000111.7L119 I120L119-G226 CarbonylContact C-O 3.51Å; L119-G226 WeakPolarHBondContact CA-O 3.33Å; L119-G226 WeakPolarHBondContact CD2-O 3.05Å; I120-G226 PolarHBondContact N-O 3.05Å; I120-G226 PolarHBondContact O-N 3.08Å
227Q96.4Very high96.2Very high2 Ų23.6 Ų3.61%0.0092%0.017CC..EExtended strand (participates in β ladder)trans-122152163.5-172178.147.400108.9K118 A160 Y161 L163 P363K118-Q227 HydrophobicContact CB-CG 4.38Å; K118-Q227 CarbonylContact O-C 3.49Å; K118-Q227 VanDerWaalsContact O-CA 3.3Å; K118-Q227 WeakPolarHBondContact O-CA 3.46Å; K118-Q227 WeakPolarHBondContact O-CG 3.17Å; A160-Q227 VanDerWaalsContact CA-O 3.3Å; A160-Q227 WeakPolarHBondContact CA-O 3.39Å; Y161-Q227 HydrophobicContact CD2-CB 4.43Å; Y161-Q227 HydrophobicContact CE2-CB 3.91Å; Y161-Q227 HydrophobicContact CE2-CG 4.35Å; Y161-Q227 VanDerWaalsContact CE2-OE1 3.22Å; Y161-Q227 PolarHBondContact N-O 3.41Å; Y161-Q227 PolarHBondContact O-N 3.48Å; Y161-Q227 PolarHBondContact OH-OE1 3.12Å; L163-Q227 HydrophobicContact CB-CB 3.9Å; L163-Q227 HydrophobicContact CD2-CB 4.07Å; L163-Q227 HydrophobicContact CD2-CG 4.44Å; L163-Q227 HydrophobicContact CG-CB 4.49Å; Q227-P363 PolarHBondContact NE2-O 2.98Å; Q227-P363 PolarHBondContact OE1-O 3.19Å
228Q97.2Very high96.4Very high1 Ų13.3 Ų3.31%0.0052%0.015CC..EExtended strand (participates in β ladder)trans-145.1165.7-179.462.3178.8-24.300113.5K118 I120 L159 A160 D230 M233K118-Q228 PolarHBondContact O-N 3.27Å; I120-Q228 HydrophobicContact CD1-CB 3.77Å; I120-Q228 HydrophobicContact CD1-CG 4.25Å; I120-Q228 HydrophobicContact CG1-CB 3.87Å; I120-Q228 HydrophobicContact CG1-CG 3.77Å; L159-Q228 CarbonylContact O-C 3.53Å; L159-Q228 WeakPolarHBondContact O-CA 3.42Å; A160-Q228 HydrophobicContact CB-CB 4.17Å; Q228-D230 HydrophobicContact CG-CB 4.34Å; Q228-M233 HydrophobicContact CB-CE 4.46Å
229E97.3Very high96.5Very high9 Ų92.6 Ų2.64%0.0421%0.011CC..  trans-91.996159.3-172.641.2-13400112.1L159 A231 R232 M233 W364 M365 I519 R576L159-E229 HydrophobicContact CD2-CB 4.44Å; L159-E229 PolarHBondContact O-N 3.16Å; E229-A231 PolarHBondContact O-N 3.43Å; E229-R232 HydrophobicContact CB-CB 4.25Å; E229-R232 HydrophobicContact CG-CB 3.67Å; E229-R232 PolarHBondContact O-N 3.43Å; E229-M233 WeakPolarHBondContact O-CB 3.49Å; E229-M233 PolarHBondContact O-N 2.85Å; E229-W364 VanDerWaalsContact OE2-CE2 3.27Å; E229-W364 WeakPolarHBondContact OE2-CZ2 3.07Å; E229-W364 PolarHBondContact OE2-NE1 3.05Å; E229-M365 HydrophobicContact CG-CE 3.95Å; E229-M365 VanDerWaalsContact OE2-CE 3.3Å; E229-M365 WeakPolarHBondContact OE2-CE 3.25Å; E229-I519 HydrophobicContact CB-CD1 4.39Å; E229-I519 HydrophobicContact CG-CD1 4.05Å; E229-R576 WeakPolarHBondContact OE1-CD 3.39Å; E229-R576 WeakPolarHBondContact OE1-CG 3.13Å; E229-R576 IonicContact OE1-CZ 3.86Å; E229-R576 IonicContact OE1-NE 3.72Å; E229-R576 PolarHBondContact OE1-NE 3.13Å; E229-R576 VanDerWaalsContact OE1-NE 3.12Å
230D97.4Very high96.7Very high0 Ų02.6 Ų2.60%01%0.011CC..Hα-helixtrans-66.1-42.5-163.262.5-10.5000114S113 S114 S116 K118 Q228 C234 R576S113-D230 WeakPolarHBondContact O-CB 3.36Å; S114-D230 VanDerWaalsContact C-OD2 3.23Å; S116-D230 WeakPolarHBondContact CB-OD2 3.45Å; S116-D230 PolarHBondContact N-OD2 2.66Å; S116-D230 VanDerWaalsContact N-OD2 3.14Å; S116-D230 PolarHBondContact OG-OD2 2.74Å; K118-D230 HydrophobicContact CD-CB 4.24Å; K118-D230 VanDerWaalsContact CD-CG 3.46Å; K118-D230 WeakPolarHBondContact CD-OD1 3.35Å; K118-D230 WeakPolarHBondContact CD-OD2 3.24Å; K118-D230 WeakPolarHBondContact CE-OD1 3.23Å; K118-D230 WeakPolarHBondContact CE-OD2 3.37Å; K118-D230 IonicContact NZ-OD1 2.9Å; K118-D230 PolarHBondContact NZ-OD1 2.95Å; K118-D230 IonicContact NZ-OD2 2.69Å; K118-D230 PolarHBondContact NZ-OD2 2.99Å; Q228-D230 HydrophobicContact CG-CB 4.34Å; D230-C234 WeakPolarHBondContact O-CB 3.27Å; D230-C234 PolarHBondContact O-N 3.43Å; D230-R576 IonicContact OD1-NH2 3.27Å
231A98.1Very high96.9Very high2 Ų22.6 Ų2.62%0.0171%0.011CC..Hα-helixtrans-66.8-47.2176.700000112A109 E229 M233 C234 L235 R573 R576A109-A231 HydrophobicContact CB-CB 4.48Å; E229-A231 PolarHBondContact O-N 3.43Å; A231-M233 VanDerWaalsContact C-N 3.34Å; A231-M233 PolarHBondContact O-N 2.81Å; A231-C234 PolarHBondContact O-N 3.14Å; A231-L235 WeakPolarHBondContact O-CB 3.28Å; A231-L235 PolarHBondContact O-N 3.17Å; A231-R573 HydrophobicContact CB-CB 4.18Å; A231-R573 HydrophobicContact CB-CG 4.18Å; A231-R576 VanDerWaalsContact CB-NH1 3.29Å
232R98.3Very high97.1Very high2 Ų22.8 Ų2.81%0.0081%0.013CC..Hα-helixtrans-66.5-37.8179.8-174.764.5-173.816611.2111.7L159 E229 L235 S236 I519 Y520 E562L159-R232 HydrophobicContact CD1-CB 4.48Å; L159-R232 HydrophobicContact CD1-CG 3.92Å; L159-R232 HydrophobicContact CD2-CB 3.99Å; L159-R232 HydrophobicContact CD2-CG 3.4Å; L159-R232 HydrophobicContact CG-CG 4.33Å; E229-R232 HydrophobicContact CB-CB 4.25Å; E229-R232 HydrophobicContact CG-CB 3.67Å; E229-R232 PolarHBondContact O-N 3.43Å; R232-L235 PolarHBondContact O-N 3.13Å; R232-S236 WeakPolarHBondContact O-CB 3.47Å; R232-S236 PolarHBondContact O-N 2.71Å; R232-S236 PolarHBondContact O-OG 3.15Å; R232-I519 HydrophobicContact CG-CG2 3.95Å; R232-I519 WeakPolarHBondContact CG-O 3.27Å; R232-I519 PolarHBondContact NE-O 2.96Å; R232-Y520 VanDerWaalsContact NH2-CD1 3.31Å; R232-E562 IonicContact CZ-OE1 3.39Å; R232-E562 IonicContact CZ-OE2 2.83Å; R232-E562 IonicContact NH1-OE1 3.66Å; R232-E562 PolarHBondContact NH1-OE1 3.09Å; R232-E562 IonicContact NH1-OE2 3.99Å; R232-E562 PolarHBondContact NH1-OE2 3.04Å; R232-E562 IonicContact NH2-OE1 3.85Å; R232-E562 PolarHBondContact NH2-OE1 3.43Å; R232-E562 IonicContact NH2-OE2 3.06Å
233M98.4Very high97.2Very high0 Ų03.7 Ų3.70%02%0.017CC..Hα-helixtrans-63.3-47.5175.6-172.771.183.500110.9L152 A156 L159 A160 Q228 E229 A231 L235 S236 I237 W455 L488L152-M233 HydrophobicContact CD2-CE 4.32Å; L152-M233 HydrophobicContact CD2-CG 4.41Å; L152-M233 HydrophobicContact CD2-SD 4.35Å; A156-M233 HydrophobicContact CB-CE 3.72Å; A156-M233 HydrophobicContact CB-SD 3.53Å; A156-M233 VanDerWaalsContact CB-SD 3.53Å; L159-M233 HydrophobicContact CB-CE 3.58Å; L159-M233 HydrophobicContact CB-SD 4.17Å; L159-M233 HydrophobicContact CD1-CB 4.32Å; L159-M233 HydrophobicContact CD1-SD 4.01Å; A160-M233 HydrophobicContact CB-CE 3.43Å; A160-M233 VanDerWaalsContact CB-CE 3.43Å; Q228-M233 HydrophobicContact CB-CE 4.46Å; E229-M233 WeakPolarHBondContact O-CB 3.49Å; E229-M233 PolarHBondContact O-N 2.85Å; A231-M233 VanDerWaalsContact C-N 3.34Å; A231-M233 PolarHBondContact O-N 2.81Å; M233-L235 PolarHBondContact O-N 3.03Å; M233-S236 PolarHBondContact O-N 3.36Å; M233-I237 HydrophobicContact CG-CD1 4.4Å; M233-I237 VanDerWaalsContact O-CG1 3.3Å; M233-I237 WeakPolarHBondContact O-CG1 3.23Å; M233-I237 PolarHBondContact O-N 2.84Å; M233-W455 HydrophobicContact CB-CH2 3.86Å; M233-W455 HydrophobicContact CB-CZ2 4.01Å; M233-W455 HydrophobicContact CG-CH2 3.27Å; M233-W455 HydrophobicContact CG-CZ2 3.92Å; M233-W455 HydrophobicContact CG-CZ3 4.2Å; M233-L488 HydrophobicContact SD-CD1 3.66Å
234C98.7Very high97.4Very high0 Ų04.6 Ų4.60%02%0.02CC..Hα-helixtrans-59.8-44.6175.5-176.10000112.2A84 A109 D230 A231 I237 A238A84-C234 PolarHBondContact N-SG 3.38Å; A84-C234 VanDerWaalsContact N-SG 3.38Å; A109-C234 HydrophobicContact CB-CB 3.6Å; A109-C234 VanDerWaalsContact CB-SG 3.6Å; D230-C234 WeakPolarHBondContact O-CB 3.27Å; D230-C234 PolarHBondContact O-N 3.43Å; A231-C234 PolarHBondContact O-N 3.14Å; C234-I237 PolarHBondContact O-N 2.7Å; C234-A238 PolarHBondContact O-N 2.87Å; C234-A238 VanDerWaalsContact O-N 3.13Å
235L98.7Very high97.6Very high4 Ų47.9 Ų7.92%0.0214%0.04CC..Hα-helixtrans-61.1-45.1174.5178.461000111F108 A231 R232 M233 I237 A238 L239 E562F108-L235 HydrophobicContact CB-CD1 4.27Å; F108-L235 HydrophobicContact CD2-CD1 4.05Å; F108-L235 HydrophobicContact CG-CD1 4.45Å; A231-L235 WeakPolarHBondContact O-CB 3.28Å; A231-L235 PolarHBondContact O-N 3.17Å; R232-L235 PolarHBondContact O-N 3.13Å; M233-L235 PolarHBondContact O-N 3.03Å; L235-I237 VanDerWaalsContact C-N 3.27Å; L235-I237 PolarHBondContact O-N 3.09Å; L235-A238 CarbonylContact O-C 3.45Å; L235-A238 WeakPolarHBondContact O-CA 3.26Å; L235-A238 WeakPolarHBondContact O-CB 3.43Å; L235-A238 PolarHBondContact O-N 3.32Å; L235-L239 HydrophobicContact CD1-CD1 4.36Å; L235-L239 HydrophobicContact CD1-CD2 4.06Å; L235-L239 HydrophobicContact CD1-CG 3.96Å; L235-L239 HydrophobicContact CG-CD1 4Å; L235-L239 HydrophobicContact CG-CG 4.02Å; L235-L239 VanDerWaalsContact O-CG 3.31Å; L235-L239 WeakPolarHBondContact O-CG 3.49Å; L235-L239 PolarHBondContact O-N 3.43Å; L235-E562 HydrophobicContact CD2-CB 4.42Å
236S98.6Very high97.9Very high0 Ų08 Ų80%04%0.041CC..Hα-helixtrans-61.4-36179.6-58.20000111.9L159 R232 M233 T240L159-S236 WeakPolarHBondContact CD1-OG 3.37Å; R232-S236 WeakPolarHBondContact O-CB 3.47Å; R232-S236 PolarHBondContact O-N 2.71Å; R232-S236 PolarHBondContact O-OG 3.15Å; M233-S236 PolarHBondContact O-N 3.36Å; S236-T240 VanDerWaalsContact O-CB 3.24Å; S236-T240 WeakPolarHBondContact O-CB 3.4Å; S236-T240 PolarHBondContact O-N 3.1Å; S236-T240 PolarHBondContact O-OG1 2.59Å
237I98.8Very high98.1Very high0 Ų08 Ų80%04%0.041CC..Hα-helixtrans-61.5-47.9171.5-65159.3000110.4A87 L91 M233 C234 L235 T240 A241 W455 Y458 L488A87-I237 VanDerWaalsContact C-CG2 3.43Å; A87-I237 HydrophobicContact CB-CB 4.19Å; A87-I237 HydrophobicContact CB-CG2 3.74Å; A87-I237 WeakPolarHBondContact O-CG2 3.29Å; L91-I237 HydrophobicContact CB-CG2 4.16Å; L91-I237 HydrophobicContact CD2-CG2 3.94Å; M233-I237 HydrophobicContact CG-CD1 4.4Å; M233-I237 VanDerWaalsContact O-CG1 3.3Å; M233-I237 WeakPolarHBondContact O-CG1 3.23Å; M233-I237 PolarHBondContact O-N 2.84Å; C234-I237 PolarHBondContact O-N 2.7Å; L235-I237 VanDerWaalsContact C-N 3.27Å; L235-I237 PolarHBondContact O-N 3.09Å; I237-T240 PolarHBondContact O-N 2.87Å; I237-A241 PolarHBondContact O-N 2.99Å; I237-W455 HydrophobicContact CD1-CH2 4.33Å; I237-Y458 HydrophobicContact CD1-CD2 3.98Å; I237-Y458 HydrophobicContact CD1-CE1 4.11Å; I237-Y458 HydrophobicContact CD1-CE2 3.42Å; I237-Y458 VanDerWaalsContact CD1-CE2 3.42Å; I237-Y458 VanDerWaalsContact CD1-CZ 3.47Å; I237-Y458 HydrophobicContact CG1-CE2 4.05Å; I237-Y458 HydrophobicContact CG2-CE2 4.09Å; I237-L488 HydrophobicContact CG1-CD1 3.68Å; I237-L488 HydrophobicContact CG1-CD2 4.25Å
238A98.8Very high98.3Very high0 Ų07.9 Ų7.90%04%0.04CC..Hα-helixtrans-64.1-46.9178.400000112A87 L102 F108 C234 L235 T240 A241 A242 I248A87-A238 HydrophobicContact CB-CB 4.14Å; L102-A238 HydrophobicContact CD2-CB 4.32Å; F108-A238 HydrophobicContact CD1-CB 4.21Å; F108-A238 HydrophobicContact CE1-CB 4.4Å; F108-A238 HydrophobicContact CG-CB 4.49Å; C234-A238 PolarHBondContact O-N 2.87Å; C234-A238 VanDerWaalsContact O-N 3.13Å; L235-A238 CarbonylContact O-C 3.45Å; L235-A238 WeakPolarHBondContact O-CA 3.26Å; L235-A238 WeakPolarHBondContact O-CB 3.43Å; L235-A238 PolarHBondContact O-N 3.32Å; A238-T240 VanDerWaalsContact C-N 3.26Å; A238-T240 PolarHBondContact O-N 3.47Å; A238-A241 WeakPolarHBondContact O-CA 3.45Å; A238-A241 VanDerWaalsContact O-CB 3.26Å; A238-A241 WeakPolarHBondContact O-CB 3.45Å; A238-A241 PolarHBondContact O-N 3.46Å; A238-A242 PolarHBondContact O-N 3.16Å; A238-I248 HydrophobicContact CB-CD1 4.24Å; A238-I248 VanDerWaalsContact O-CD1 3.29Å; A238-I248 WeakPolarHBondContact O-CD1 3.4Å
239L98.7Very high98.3Very high0 Ų07.9 Ų7.90%04%0.04CC..Hα-helixtrans-58.1-41.8175.3-64.5-175.2000111L59 L235 A241 A242 R243 E489 E562 Y563L59-L239 HydrophobicContact CD1-CD1 4.41Å; L59-L239 HydrophobicContact CD1-CD2 3.83Å; L235-L239 HydrophobicContact CD1-CD1 4.36Å; L235-L239 HydrophobicContact CD1-CD2 4.06Å; L235-L239 HydrophobicContact CD1-CG 3.96Å; L235-L239 HydrophobicContact CG-CD1 4Å; L235-L239 HydrophobicContact CG-CG 4.02Å; L235-L239 VanDerWaalsContact O-CG 3.31Å; L235-L239 WeakPolarHBondContact O-CG 3.49Å; L235-L239 PolarHBondContact O-N 3.43Å; L239-A241 VanDerWaalsContact C-N 3.31Å; L239-A241 PolarHBondContact O-N 2.9Å; L239-A242 CarbonylContact O-C 3.59Å; L239-A242 WeakPolarHBondContact O-CA 3.29Å; L239-A242 WeakPolarHBondContact O-CB 3.39Å; L239-A242 PolarHBondContact O-N 2.78Å; L239-A242 VanDerWaalsContact O-N 3.09Å; L239-R243 WeakPolarHBondContact O-CG 3.31Å; L239-R243 PolarHBondContact O-N 2.9Å; L239-E489 HydrophobicContact CB-CB 4.3Å; L239-E489 HydrophobicContact CB-CG 4.33Å; L239-E489 HydrophobicContact CD1-CG 4.22Å; L239-E562 HydrophobicContact CD1-CB 4.32Å; L239-E562 HydrophobicContact CD1-CG 3.92Å; L239-E562 VanDerWaalsContact CD1-OE1 3.32Å; L239-E562 WeakPolarHBondContact CD1-OE1 3.39Å; L239-Y563 HydrophobicContact CD2-CD2 3.88Å; L239-Y563 HydrophobicContact CD2-CE2 3.45Å; L239-Y563 VanDerWaalsContact CD2-CE2 3.45Å
240T98.6Very high98.4Very high0 Ų07.4 Ų7.40%04%0.038CC..Hα-helixtrans-62.4-39174.9-54.30000110.9F55 L91 S236 I237 A238 A242 R243 Y244 L486 L488 E489F55-T240 HydrophobicContact CE1-CG2 3.95Å; F55-T240 HydrophobicContact CZ-CG2 3.8Å; L91-T240 HydrophobicContact CD1-CG2 3.65Å; L91-T240 HydrophobicContact CD2-CG2 4.31Å; S236-T240 VanDerWaalsContact O-CB 3.24Å; S236-T240 WeakPolarHBondContact O-CB 3.4Å; S236-T240 PolarHBondContact O-N 3.1Å; S236-T240 PolarHBondContact O-OG1 2.59Å; I237-T240 PolarHBondContact O-N 2.87Å; A238-T240 VanDerWaalsContact C-N 3.26Å; A238-T240 PolarHBondContact O-N 3.47Å; T240-A242 VanDerWaalsContact C-N 3.3Å; T240-A242 PolarHBondContact O-N 2.84Å; T240-R243 WeakPolarHBondContact O-CA 3.47Å; T240-R243 VanDerWaalsContact O-CB 3.24Å; T240-R243 WeakPolarHBondContact O-CB 3.32Å; T240-R243 PolarHBondContact O-N 3.07Å; T240-Y244 HydrophobicContact CG2-CD2 4.14Å; T240-Y244 HydrophobicContact CG2-CE2 3.92Å; T240-Y244 VanDerWaalsContact O-CD2 3.24Å; T240-Y244 WeakPolarHBondContact O-CD2 3.39Å; T240-Y244 PolarHBondContact O-N 3.06Å; T240-Y244 VanDerWaalsContact O-N 3.11Å; T240-L486 HydrophobicContact CG2-CD2 3.63Å; T240-L488 HydrophobicContact CG2-CD2 4.2Å; T240-E489 PolarHBondContact OG1-N 3.23Å
241A98.7Very high98.5Very high0 Ų08.3 Ų8.30%04%0.041CC..Hα-helixtrans-59.2-41.8172.400000111.7A90 L91 I237 A238 L239 R243 Y244 D245 A246A90-A241 HydrophobicContact CB-CB 4.26Å; L91-A241 HydrophobicContact CB-CB 4.03Å; L91-A241 HydrophobicContact CD1-CB 4.49Å; I237-A241 PolarHBondContact O-N 2.99Å; A238-A241 WeakPolarHBondContact O-CA 3.45Å; A238-A241 VanDerWaalsContact O-CB 3.26Å; A238-A241 WeakPolarHBondContact O-CB 3.45Å; A238-A241 PolarHBondContact O-N 3.46Å; L239-A241 VanDerWaalsContact C-N 3.31Å; L239-A241 PolarHBondContact O-N 2.9Å; A241-R243 VanDerWaalsContact C-N 3.3Å; A241-R243 PolarHBondContact O-N 3.07Å; A241-Y244 CarbonylContact O-C 3.47Å; A241-Y244 VanDerWaalsContact O-C 3.29Å; A241-Y244 WeakPolarHBondContact O-CA 3.37Å; A241-Y244 PolarHBondContact O-N 3.49Å; A241-D245 PolarHBondContact O-N 3.04Å; A241-A246 HydrophobicContact CB-CB 3.99Å; A241-A246 WeakPolarHBondContact O-CB 3.46Å; A241-A246 PolarHBondContact O-N 3.24Å
242A98.6Very high98.5Very high5 Ų58.2 Ų8.24%0.0414%0.041CC..Hα-helixtrans-64.1-32.2172.800000112.9L59 A238 L239 T240 Y244 D245 I248L59-A242 HydrophobicContact CD2-CB 4.33Å; A238-A242 PolarHBondContact O-N 3.16Å; L239-A242 CarbonylContact O-C 3.59Å; L239-A242 WeakPolarHBondContact O-CA 3.29Å; L239-A242 WeakPolarHBondContact O-CB 3.39Å; L239-A242 PolarHBondContact O-N 2.78Å; L239-A242 VanDerWaalsContact O-N 3.09Å; T240-A242 VanDerWaalsContact C-N 3.3Å; T240-A242 PolarHBondContact O-N 2.84Å; A242-Y244 PolarHBondContact O-N 2.72Å; A242-D245 PolarHBondContact O-N 3.4Å; A242-I248 HydrophobicContact CB-CD1 3.71Å; A242-I248 HydrophobicContact CB-CG1 4.05Å
243R97.6Very high98.5Very high19 Ų1910.3 Ų10.37%0.0725%0.05CC..Hα-helixtrans-63.2-25.5169.6-58.7-55.6-170.5179.83112.8R54 F55 R57 L239 T240 A241 D245 E489R54-R243 VanDerWaalsContact CD-O 3.25Å; R54-R243 WeakPolarHBondContact CD-O 3.33Å; R54-R243 HydrophobicContact CG-CB 4.23Å; R54-R243 WeakPolarHBondContact CG-O 3.31Å; R54-R243 PolarHBondContact NH1-O 3.43Å; F55-R243 HydrophobicContact CD1-CG 3.82Å; F55-R243 HydrophobicContact CE1-CB 4.23Å; F55-R243 HydrophobicContact CE1-CG 3.79Å; F55-R243 HydrophobicContact CG-CG 4.43Å; F55-R243 HydrophobicContact CZ-CB 4.32Å; F55-R243 HydrophobicContact CZ-CG 4.37Å; F55-R243 PolarHBondContact O-NH2 3.34Å; R57-R243 PolarHBondContact O-NH1 3.16Å; R57-R243 PolarHBondContact O-NH2 3.13Å; L239-R243 WeakPolarHBondContact O-CG 3.31Å; L239-R243 PolarHBondContact O-N 2.9Å; T240-R243 WeakPolarHBondContact O-CA 3.47Å; T240-R243 VanDerWaalsContact O-CB 3.24Å; T240-R243 WeakPolarHBondContact O-CB 3.32Å; T240-R243 PolarHBondContact O-N 3.07Å; A241-R243 VanDerWaalsContact C-N 3.3Å; A241-R243 PolarHBondContact O-N 3.07Å; R243-D245 VanDerWaalsContact C-N 3.28Å; R243-E489 WeakPolarHBondContact CG-OE2 3.23Å; R243-E489 IonicContact CZ-OE1 3.39Å; R243-E489 IonicContact CZ-OE2 3.77Å; R243-E489 IonicContact NE-OE1 2.77Å; R243-E489 IonicContact NE-OE2 2.77Å; R243-E489 PolarHBondContact NE-OE2 2.95Å; R243-E489 IonicContact NH2-OE1 3.81Å; R243-E489 PolarHBondContact NH2-OE1 3.33Å; R243-E489 IonicContact NH2-OE2 3.23Å
244Y97.5Very high98.5Very high22 Ų2210.7 Ų10.79%0.0865%0.054CC..THydrogen-bonded Turntrans-93.725.7170.8-72-79.6000112.9F55 L91 T240 A241 A242 A246 R482 L486F55-Y244 HydrophobicContact CZ-CE2 4.43Å; L91-Y244 HydrophobicContact CD1-CD2 3.75Å; L91-Y244 HydrophobicContact CD1-CE2 4.18Å; T240-Y244 HydrophobicContact CG2-CD2 4.14Å; T240-Y244 HydrophobicContact CG2-CE2 3.92Å; T240-Y244 VanDerWaalsContact O-CD2 3.24Å; T240-Y244 WeakPolarHBondContact O-CD2 3.39Å; T240-Y244 PolarHBondContact O-N 3.06Å; T240-Y244 VanDerWaalsContact O-N 3.11Å; A241-Y244 CarbonylContact O-C 3.47Å; A241-Y244 VanDerWaalsContact O-C 3.29Å; A241-Y244 WeakPolarHBondContact O-CA 3.37Å; A241-Y244 PolarHBondContact O-N 3.49Å; A242-Y244 PolarHBondContact O-N 2.72Å; Y244-A246 PolarHBondContact O-N 2.64Å; Y244-R482 VanDerWaalsContact CD1-NH2 3.35Å; Y244-R482 VanDerWaalsContact CE1-CZ 3.42Å; Y244-R482 VanDerWaalsContact CE1-NH2 3.29Å; Y244-L486 HydrophobicContact CE2-CD1 3.79Å; Y244-L486 HydrophobicContact CE2-CD2 4.08Å; Y244-L486 HydrophobicContact CE2-CG 4.33Å; Y244-L486 WeakPolarHBondContact OH-CD1 3.37Å
245D97.3Very high98.5Very high100 Ų10012.5 Ų12.554%0.5357%0.065SC..THydrogen-bonded Turntrans65.420.6172.9-49.1-66.5000113.6R54 R68 A241 A242 R243R54-D245 IonicContact NH1-OD2 2.85Å; R54-D245 PolarHBondContact NH1-OD2 3.03Å; R68-D245 PolarHBondContact NH1-O 2.63Å; A241-D245 PolarHBondContact O-N 3.04Å; A242-D245 PolarHBondContact O-N 3.4Å; R243-D245 VanDerWaalsContact C-N 3.28Å
246A98.7Very high98.5Very high2 Ų216.5 Ų16.52%0.0178%0.083CC..  trans-69.3136.6166.900000110.4A94 T100 A241 Y244 I248A94-A246 HydrophobicContact CB-CB 3.89Å; T100-A246 HydrophobicContact CG2-CB 4.45Å; T100-A246 WeakPolarHBondContact O-CA 3.3Å; A241-A246 HydrophobicContact CB-CB 3.99Å; A241-A246 WeakPolarHBondContact O-CB 3.46Å; A241-A246 PolarHBondContact O-N 3.24Å; Y244-A246 PolarHBondContact O-N 2.64Å; A246-I248 HydrophobicContact CB-CG2 3.97Å; A246-I248 PolarHBondContact O-N 3.11Å
247A98.8Very high98.4Very high0 Ų016.9 Ų16.90%09%0.085CC..EExtended strand (participates in β ladder)trans-78.7116.8167.500000108.5H65 M69 F75 T100 C101 L102H65-A247 WeakPolarHBondContact ND1-CA 3.34Å; M69-A247 HydrophobicContact CE-CB 3.88Å; M69-A247 VanDerWaalsContact CE-O 3.26Å; M69-A247 WeakPolarHBondContact CE-O 3.38Å; M69-A247 HydrophobicContact CG-CB 4.05Å; F75-A247 HydrophobicContact CE1-CB 4.21Å; F75-A247 HydrophobicContact CZ-CB 4.38Å; T100-A247 PolarHBondContact O-N 3.13Å; C101-A247 CarbonylContact C-O 3.44Å; C101-A247 VanDerWaalsContact CA-O 3.26Å; C101-A247 WeakPolarHBondContact CA-O 3.41Å; L102-A247 PolarHBondContact N-O 3.06Å
248I98.8Very high98.4Very high0 Ų018.9 Ų18.90%010%0.095CC..EExtended strand (participates in β ladder)trans-125.5137-178.473.6175.4000110.8H65 L102 F108 A238 A242 A246 Y563H65-I248 VanDerWaalsContact CB-O 3.26Å; H65-I248 WeakPolarHBondContact CB-O 3.46Å; H65-I248 PolarHBondContact CD2-O 3.28Å; H65-I248 VanDerWaalsContact CD2-O 3.22Å; H65-I248 PolarHBondContact ND1-N 2.8Å; L102-I248 HydrophobicContact CB-CB 4.25Å; L102-I248 HydrophobicContact CB-CG2 3.86Å; L102-I248 HydrophobicContact CD2-CG2 4.26Å; L102-I248 WeakPolarHBondContact O-CA 3.38Å; F108-I248 HydrophobicContact CE2-CD1 4.42Å; F108-I248 HydrophobicContact CZ-CB 4.04Å; F108-I248 HydrophobicContact CZ-CD1 4.11Å; F108-I248 HydrophobicContact CZ-CG1 4.08Å; A238-I248 HydrophobicContact CB-CD1 4.24Å; A238-I248 VanDerWaalsContact O-CD1 3.29Å; A238-I248 WeakPolarHBondContact O-CD1 3.4Å; A242-I248 HydrophobicContact CB-CD1 3.71Å; A242-I248 HydrophobicContact CB-CG1 4.05Å; A246-I248 HydrophobicContact CB-CG2 3.97Å; A246-I248 PolarHBondContact O-N 3.11Å; I248-Y563 HydrophobicContact CD1-CD2 4.46Å; I248-Y563 HydrophobicContact CD1-CE2 3.78Å; I248-Y563 HydrophobicContact CG1-CE2 4.09Å
249A98.8Very high98.2Very high0 Ų022.6 Ų22.60%011%0.112CC..EExtended strand (participates in β ladder)trans-149128177.300000111.6L66 M69 L102 I103 E104 V252L66-A249 HydrophobicContact CD2-CB 3.98Å; M69-A249 HydrophobicContact CE-CB 3.65Å; M69-A249 HydrophobicContact SD-CB 4Å; L102-A249 PolarHBondContact O-N 3.31Å; I103-A249 WeakPolarHBondContact CA-O 3.29Å; E104-A249 PolarHBondContact N-O 3.38Å; A249-V252 HydrophobicContact CB-CG2 3.63Å
250N98.7Very high97.8Very high0 Ų027.9 Ų27.90%014%0.136CC..SBendtrans-84.2165.5164.865.9-15.4000110.6R62 E104 L106 D107 F108 V252 Y563R62-N250 PolarHBondContact NE-O 3.23Å; R62-N250 PolarHBondContact NE-OD1 3.35Å; R62-N250 PolarHBondContact NH2-O 3.34Å; E104-N250 CarbonylContact O-C 2.91Å; L106-N250 CarbonylContact O-C 3.59Å; L106-N250 VanDerWaalsContact O-CB 3.3Å; L106-N250 WeakPolarHBondContact O-CB 3.38Å; D107-N250 PolarHBondContact OD1-ND2 3.09Å; F108-N250 HydrophobicContact CD2-CB 3.95Å; F108-N250 HydrophobicContact CE2-CB 3.79Å; F108-N250 HydrophobicContact CG-CB 4.44Å; F108-N250 HydrophobicContact CZ-CB 4.15Å; N250-V252 PolarHBondContact O-N 2.92Å; N250-Y563 PolarHBondContact ND2-O 3.03Å
251Y98.6Very high97Very high18 Ų1833.3 Ų33.37%0.07117%0.172CC..SBendtrans56.335.6-173.3-61.6-81000113.5R62 E104 L106 D107 R291 L292 C565 H566 D569R62-Y251 PolarHBondContact NH2-O 3.45Å; E104-Y251 CarbonylContact O-C 3.38Å; E104-Y251 WeakPolarHBondContact O-CA 3.41Å; E104-Y251 PolarHBondContact O-N 3.37Å; L106-Y251 PolarHBondContact O-N 3.47Å; D107-Y251 HydrophobicContact CB-CE2 4.04Å; Y251-R291 PolarHBondContact O-N 3.06Å; Y251-L292 HydrophobicContact CD1-CD2 4.15Å; Y251-L292 HydrophobicContact CD2-CD2 4.31Å; Y251-L292 HydrophobicContact CG-CD2 3.9Å; Y251-L292 HydrophobicContact CG-CG 4.24Å; Y251-C565 HydrophobicContact CD2-CB 3.87Å; Y251-C565 HydrophobicContact CE2-CB 3.73Å; Y251-H566 AromaticContact CE1-CD2 3.47Å; Y251-H566 VanDerWaalsContact CE1-CD2 3.47Å; Y251-H566 WeakPolarHBondContact CE1-CD2 3.42Å; Y251-H566 AromaticContact CE1-NE2 3.69Å; Y251-H566 AromaticContact CE2-CD2 3.79Å; Y251-H566 AromaticContact CZ-CD2 3.22Å; Y251-H566 AromaticContact CZ-NE2 3.94Å; Y251-H566 PolarHBondContact OH-CD2 3.29Å; Y251-D569 WeakPolarHBondContact CE2-OD2 2.91Å; Y251-D569 VanDerWaalsContact OH-CG 3.29Å; Y251-D569 PolarHBondContact OH-OD1 2.97Å; Y251-D569 PolarHBondContact OH-OD2 3.46Å
252V98.8Very high95.7Very high1 Ų134.4 Ų34.41%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-120.9107.1174.3-178.50000108.8L66 I103 E104 R105 A249 N250 V288 R289L66-V252 HydrophobicContact CD2-CG2 3.62Å; I103-V252 HydrophobicContact CB-CB 4.02Å; I103-V252 HydrophobicContact CB-CG1 3.94Å; I103-V252 HydrophobicContact CD1-CG1 4.49Å; I103-V252 HydrophobicContact CG2-CB 4.09Å; I103-V252 HydrophobicContact CG2-CG1 3.68Å; E104-V252 CarbonylContact C-O 3.58Å; E104-V252 VanDerWaalsContact C-O 3.28Å; E104-V252 PolarHBondContact O-N 2.7Å; R105-V252 PolarHBondContact N-O 3.07Å; A249-V252 HydrophobicContact CB-CG2 3.63Å; N250-V252 PolarHBondContact O-N 2.92Å; V252-V288 HydrophobicContact CG1-CB 3.68Å; V252-V288 HydrophobicContact CG1-CG1 4.22Å; V252-V288 HydrophobicContact CG1-CG2 3.82Å; V252-R289 WeakPolarHBondContact CA-O 3.28Å
253E98.6Very high93.9Very high45 Ų4546.2 Ų46.221%0.2122%0.223CC..EExtended strand (participates in β ladder)trans-91129.8-177179.5172.7-140.800110.8R105 V255 V288 R289 R291R105-E253 HydrophobicContact CB-CB 4.46Å; R105-E253 WeakPolarHBondContact CD-OE1 3.3Å; R105-E253 HydrophobicContact CG-CB 3.98Å; R105-E253 HydrophobicContact CG-CG 3.97Å; E253-V255 PolarHBondContact O-N 3.5Å; E253-V288 CarbonylContact O-C 3.54Å; E253-V288 WeakPolarHBondContact O-CA 3.47Å; E253-V288 WeakPolarHBondContact O-CB 3.17Å; E253-R289 PolarHBondContact N-O 2.65Å; E253-R289 PolarHBondContact O-N 3.01Å; E253-R289 IonicContact OE2-NH1 2.78Å; E253-R289 PolarHBondContact OE2-NH1 3.42Å; E253-R289 VanDerWaalsContact OE2-NH1 3.16Å; E253-R291 HydrophobicContact CB-CG 4.1Å
254A98.6Very high91.7Very high8 Ų849.5 Ų49.57%0.06625%0.245CC..EExtended strand (participates in β ladder)trans-73.4117.1165.200000109.5I80 I103 I315I80-A254 HydrophobicContact CD1-CB 3.95Å; I80-A254 HydrophobicContact CG2-CB 3.92Å; I103-A254 HydrophobicContact CD1-CB 4.1Å; A254-I315 HydrophobicContact CB-CD1 4.21Å
255V98.2Very high89.2Confident39 Ų3957.8 Ų57.824%0.23628%0.281CS..EExtended strand (participates in β ladder)trans-98.5-30.9-177-153.80000111.2E253 R287 R289E253-V255 PolarHBondContact O-N 3.5Å; V255-R287 PolarHBondContact N-O 2.93Å; V255-R289 HydrophobicContact CG2-CB 3.65Å
256E98.1Very high86.6Confident87 Ų8755 Ų5541%0.40727%0.27SS..EExtended strand (participates in β ladder)trans-156141.1-177.4-176-177.8-178.200110.9A286 R287E256-A286 CarbonylContact O-C 3.56Å; E256-A286 VanDerWaalsContact O-CA 3.25Å; E256-A286 WeakPolarHBondContact O-CA 3.3Å; E256-A286 WeakPolarHBondContact O-CB 3.39Å; E256-R287 HydrophobicContact CB-CB 4.13Å; E256-R287 PolarHBondContact N-O 3.5Å; E256-R287 PolarHBondContact O-N 3.11Å; E256-R287 IonicContact OE2-CZ 3.49Å; E256-R287 VanDerWaalsContact OE2-CZ 3.29Å; E256-R287 IonicContact OE2-NE 3.08Å; E256-R287 PolarHBondContact OE2-NE 3.08Å; E256-R287 IonicContact OE2-NH2 2.82Å; E256-R287 PolarHBondContact OE2-NH2 3.08Å
257I98.1Very high84.1Confident9 Ų961.5 Ų61.55%0.04630%0.303CS..EExtended strand (participates in β ladder)trans-86.9123.4170.9-62.5-61000109.2I80 V283 A286 V304 I315 M318I80-I257 HydrophobicContact CD1-CD1 3.86Å; I257-V283 HydrophobicContact CG2-CB 4.26Å; I257-V283 HydrophobicContact CG2-CG1 3.66Å; I257-V283 HydrophobicContact CG2-CG2 3.63Å; I257-A286 HydrophobicContact CD1-CB 4.39Å; I257-V304 HydrophobicContact CD1-CG1 4.32Å; I257-I315 HydrophobicContact CD1-CG2 4.18Å; I257-M318 HydrophobicContact CG1-CB 3.92Å
258I97Very high81.3Confident41 Ų4164.2 Ų64.221%0.2132%0.322CS..EExtended strand (participates in β ladder)trans-93.5130.7-176.8-60.8170.2000109.6V283 S284 G285 R287 T298I258-V283 WeakPolarHBondContact O-CA 3.35Å; I258-S284 PolarHBondContact O-N 3.21Å; I258-S284 PolarHBondContact O-OG 3.21Å; I258-S284 VanDerWaalsContact O-OG 3.04Å; I258-G285 PolarHBondContact N-O 2.99Å; I258-R287 HydrophobicContact CD1-CB 4.13Å; I258-R287 HydrophobicContact CG1-CB 4.45Å; I258-T298 HydrophobicContact CD1-CG2 3.31Å
259K95.5Very high78.7Confident79 Ų7970.4 Ų70.434%0.34335%0.354SS..EExtended strand (participates in β ladder)trans-117.5145.7178.1-59.7177.6-176-177.80111.2P281 T282 V283 D319K259-P281 HydrophobicContact CB-CB 3.82Å; K259-P281 HydrophobicContact CD-CB 4.19Å; K259-T282 CarbonylContact C-O 3.57Å; K259-T282 VanDerWaalsContact CA-O 3.23Å; K259-T282 WeakPolarHBondContact CA-O 3.43Å; K259-V283 HydrophobicContact CG-CG2 4.26Å; K259-D319 WeakPolarHBondContact CE-OD1 3.2Å; K259-D319 PolarHBondContact NZ-O 3.12Å; K259-D319 IonicContact NZ-OD1 2.77Å; K259-D319 PolarHBondContact NZ-OD1 3.33Å
260Q89.7Confident76.1Confident111 Ų11177.6 Ų77.652%0.51939%0.386SS..EExtended strand (participates in β ladder)trans-112.1151.4170.7-77.8174.95.100110.5S262 P281 T282 S284Q260-S262 PolarHBondContact O-N 3.15Å; Q260-P281 CarbonylContact O-C 3.59Å; Q260-P281 VanDerWaalsContact O-CA 3.32Å; Q260-P281 WeakPolarHBondContact O-CA 3.28Å; Q260-T282 PolarHBondContact N-O 3.08Å; Q260-T282 PolarHBondContact O-N 3.2Å; Q260-S284 WeakPolarHBondContact CG-OG 3.47Å
261P83.2Confident73.5Confident114 Ų11483.8 Ų83.874%0.7443%0.429SS*.  trans-54.5129.2171.2-22.132.3000110.5R263P261-R263 PolarHBondContact O-N 3.06Å
262S70.2Confident70.7Confident22 Ų2287.3 Ų87.315%0.15445%0.452CS..  trans-66.6131.1-177.7179.50000111.4Q260 T264 V280Q260-S262 PolarHBondContact O-N 3.15Å; S262-T264 PolarHBondContact OG-N 3.24Å; S262-T264 VanDerWaalsContact OG-N 3.08Å; S262-T264 PolarHBondContact OG-O 3.42Å; S262-T264 PolarHBondContact OG-OG1 2.84Å; S262-V280 WeakPolarHBondContact CB-O 3.48Å
263R61.3Low67.6Low254 Ų25495 Ų9596%0.95849%0.493SS*.SBendtrans-78.8-8.2169.5-68.9-179.666.9159.90.7112.9P261P261-R263 PolarHBondContact O-N 3.06Å
264T51.7Low64.8Low87 Ų8799.9 Ų99.953%0.53452%0.515SS..SBendtrans-125.7142.9-172.1340000111.8S262S262-T264 PolarHBondContact OG-N 3.24Å; S262-T264 VanDerWaalsContact OG-N 3.08Å; S262-T264 PolarHBondContact OG-O 3.42Å; S262-T264 PolarHBondContact OG-OG1 2.84Å
265K44.9Very low62Low196 Ų196105.1 Ų105.185%0.85255%0.547SS*.  trans-59.3138.5170.3-68.7-177.5177.4-178.50109.6I267K265-I267 PolarHBondContact O-N 3.19Å
266S43Very low59.5Low43 Ų43107.4 Ų107.430%0.30156%0.561SS.*  trans-52.1129.1179.5-174.10000110.9
267I45.3Very low57.4Low137 Ų137109.2 Ų109.270%0.70358%0.583SS**  trans-97105.2169.5-60.9172.7000106.2K265 L269K265-I267 PolarHBondContact O-N 3.19Å; I267-L269 PolarHBondContact O-N 2.99Å; I267-L269 VanDerWaalsContact O-N 3.14Å
268S39.9Very low55.6Low58 Ų58116.3 Ų116.341%0.40662%0.616SS.*  trans-64.5111.1165.3-85.90000108.4E274S268-E274 PolarHBondContact OG-O 2.7Å
269L45.5Very low54.2Low130 Ų130118.5 Ų118.568%0.68163%0.633SS**  trans-82.11.1172.1-86163.9000112.9I267I267-L269 PolarHBondContact O-N 2.99Å; I267-L269 VanDerWaalsContact O-N 3.14Å
270K43.1Very low53.4Low151 Ų151116.8 Ų116.866%0.65763%0.629SS**SBendtrans-84.6131.9164.4-68.7-175.3176.8-177.50107.4T272K270-T272 CarbonylContact O-C 3.55Å; K270-T272 PolarHBondContact O-N 3Å
271S43.9Very low53.4Low130 Ų130114.4 Ų114.491%0.90962%0.623SS**SBendtrans-63.5-0.7178.770.10000113.8L273S271-L273 PolarHBondContact O-N 2.76Å
272T41.3Very low53.9Low91 Ų91110.6 Ų110.656%0.55860%0.598SS**SBendtrans-84.2106.8166.1-17.70000109.2K270 E274K270-T272 CarbonylContact O-C 3.55Å; K270-T272 PolarHBondContact O-N 3Å; T272-E274 PolarHBondContact O-N 3.1Å
273L33.5Very low55.2Low164 Ų164110 Ų11086%0.85959%0.594SS**  trans-62.271.9172.7-76.3151000111.4S271S271-L273 PolarHBondContact O-N 2.76Å
274E39.9Very low56.9Low147 Ų14798.4 Ų98.469%0.68755%0.551SS**  trans-106.396.7159.2-74.3-179.5-174.100107S268 T272 T276S268-E274 PolarHBondContact OG-O 2.7Å; T272-E274 PolarHBondContact O-N 3.1Å; E274-T276 PolarHBondContact O-N 3.01Å
275T37.9Very low59.1Low118 Ų11894.3 Ų94.372%0.72453%0.526SS*.  trans-73.6101.1167.447.10000107.5S277T275-S277 PolarHBondContact O-N 2.87Å
276T46.9Very low61.6Low87 Ų8785 Ų8553%0.53449%0.485SS..  trans-64.8127.1161.653.60000107.7E274 E278E274-T276 PolarHBondContact O-N 3.01Å; T276-E278 VanDerWaalsContact C-N 3.28Å; T276-E278 PolarHBondContact O-N 3.33Å
277S53.8Low64.3Low125 Ų12587.2 Ų87.287%0.87449%0.487SS*.SBendtrans-76.1-11.9-170.434.50000114T275T275-S277 PolarHBondContact O-N 2.87Å
278E60.6Low66.8Low157 Ų15780.7 Ų80.773%0.73445%0.454SS*.SBendtrans-95136.1177.8-65.9-15616500112.8T276 V280T276-E278 VanDerWaalsContact C-N 3.28Å; T276-E278 PolarHBondContact O-N 3.33Å; E278-V280 PolarHBondContact O-N 2.97Å; E278-V280 VanDerWaalsContact O-N 3.09Å
279P67.1Low69.6Low88 Ų8881.6 Ų81.657%0.57145%0.448SS*.  trans-64.5110.8175.424.7-30.1000110.4P281P279-P281 WeakPolarHBondContact O-CD 3.29Å
280V79.1Confident72.2Confident42 Ų4275.8 Ų75.826%0.25542%0.418SS..PPolyproline II helixtrans-69.3125.1174.2-177.70000109.2S262 E278 P444S262-V280 WeakPolarHBondContact CB-O 3.48Å; E278-V280 PolarHBondContact O-N 2.97Å; E278-V280 VanDerWaalsContact O-N 3.09Å; V280-P444 HydrophobicContact CG1-CB 4.21Å
281P89.4Confident74.8Confident62 Ų6274.3 Ų74.340%0.40341%0.408SS..PPolyproline II helixtrans-58.1138.3175.3-24.133.9000111.9K259 Q260 P279 S445K259-P281 HydrophobicContact CB-CB 3.82Å; K259-P281 HydrophobicContact CD-CB 4.19Å; Q260-P281 CarbonylContact O-C 3.59Å; Q260-P281 VanDerWaalsContact O-CA 3.32Å; Q260-P281 WeakPolarHBondContact O-CA 3.28Å; P279-P281 WeakPolarHBondContact O-CD 3.29Å; P281-S445 WeakPolarHBondContact O-CA 3.39Å; P281-S445 WeakPolarHBondContact O-CB 3.5Å
282T94.3Very high77.3Confident33 Ų3370.7 Ų70.720%0.20238%0.378CS..EExtended strand (participates in β ladder)trans-98137.8-179.550.70000111K259 Q260 S284 S445 K446K259-T282 CarbonylContact C-O 3.57Å; K259-T282 VanDerWaalsContact CA-O 3.23Å; K259-T282 WeakPolarHBondContact CA-O 3.43Å; Q260-T282 PolarHBondContact N-O 3.08Å; Q260-T282 PolarHBondContact O-N 3.2Å; T282-S284 PolarHBondContact O-N 2.81Å; T282-S445 CarbonylContact C-O 3.25Å; T282-S445 WeakPolarHBondContact CA-O 3.32Å; T282-K446 HydrophobicContact CG2-CD 4.39Å
283V96.9Very high79.9Confident11 Ų1171 Ų717%0.06738%0.38CS..EExtended strand (participates in β ladder)trans-57.8136.4171.2178.30000109.8I257 I258 K259 V304 S445 L447I257-V283 HydrophobicContact CG2-CB 4.26Å; I257-V283 HydrophobicContact CG2-CG1 3.66Å; I257-V283 HydrophobicContact CG2-CG2 3.63Å; I258-V283 WeakPolarHBondContact O-CA 3.35Å; K259-V283 HydrophobicContact CG-CG2 4.26Å; V283-V304 HydrophobicContact CG1-CB 3.73Å; V283-V304 HydrophobicContact CG1-CG2 3.43Å; V283-V304 VanDerWaalsContact CG1-CG2 3.43Å; V283-S445 PolarHBondContact N-O 3.06Å; V283-L447 HydrophobicContact CG2-CB 4.18Å
284S96.8Very high82.9Confident10 Ų1065.4 Ų65.47%0.0736%0.363CS..EExtended strand (participates in β ladder)trans-137.58.4-171.658.30000113.2I258 Q260 T282 A301I258-S284 PolarHBondContact O-N 3.21Å; I258-S284 PolarHBondContact O-OG 3.21Å; I258-S284 VanDerWaalsContact O-OG 3.04Å; Q260-S284 WeakPolarHBondContact CG-OG 3.47Å; T282-S284 PolarHBondContact O-N 2.81Å; S284-A301 CarbonylContact C-O 3.54Å; S284-A301 VanDerWaalsContact CA-O 3.3Å; S284-A301 WeakPolarHBondContact CA-O 3.35Å; S284-A301 PolarHBondContact O-N 3.25Å; S284-A301 VanDerWaalsContact O-O 3.06Å
285G97.8Very high85.7Confident0 Ų065 Ų650%036%0.358CS..EExtended strand (participates in β ladder)trans146.2-165.7-176.500000112.6I258 I299I258-G285 PolarHBondContact N-O 2.99Å; G285-I299 CarbonylContact C-O 3.43Å; G285-I299 WeakPolarHBondContact CA-O 3.28Å
286A98.5Very high88.6Confident0 Ų062.7 Ų62.70%034%0.339CS..EExtended strand (participates in β ladder)trans-143.1146.1174.900000111L78 E256 I257 V288 I299L78-A286 HydrophobicContact CD2-CB 3.75Å; E256-A286 CarbonylContact O-C 3.56Å; E256-A286 VanDerWaalsContact O-CA 3.25Å; E256-A286 WeakPolarHBondContact O-CA 3.3Å; E256-A286 WeakPolarHBondContact O-CB 3.39Å; I257-A286 HydrophobicContact CD1-CB 4.39Å; A286-V288 HydrophobicContact CB-CG1 4.26Å; A286-I299 PolarHBondContact N-O 3.17Å; A286-I299 PolarHBondContact O-N 3.03Å
287R98.6Very high91Very high90 Ų9059.9 Ų59.934%0.3432%0.32SS..EExtended strand (participates in β ladder)trans-82.4128.4162.5-176.1164.557.5125.5-9.1107.5V255 E256 I258 E296V255-R287 PolarHBondContact N-O 2.93Å; E256-R287 HydrophobicContact CB-CB 4.13Å; E256-R287 PolarHBondContact N-O 3.5Å; E256-R287 PolarHBondContact O-N 3.11Å; E256-R287 IonicContact OE2-CZ 3.49Å; E256-R287 VanDerWaalsContact OE2-CZ 3.29Å; E256-R287 IonicContact OE2-NE 3.08Å; E256-R287 PolarHBondContact OE2-NE 3.08Å; E256-R287 IonicContact OE2-NH2 2.82Å; E256-R287 PolarHBondContact OE2-NH2 3.08Å; I258-R287 HydrophobicContact CD1-CB 4.13Å; I258-R287 HydrophobicContact CG1-CB 4.45Å; R287-E296 IonicContact CZ-OE2 3.76Å; R287-E296 IonicContact NH1-OE2 3.28Å; R287-E296 PolarHBondContact NH1-OE2 2.92Å
288V98.7Very high93.2Very high0 Ų056.6 Ų56.60%029%0.294CS..EExtended strand (participates in β ladder)trans-124.2155.9-174.7-57.60000111.1I103 V252 E253 A286 E296 F297 I299I103-V288 HydrophobicContact CD1-CG1 3.56Å; V252-V288 HydrophobicContact CG1-CB 3.68Å; V252-V288 HydrophobicContact CG1-CG1 4.22Å; V252-V288 HydrophobicContact CG1-CG2 3.82Å; E253-V288 CarbonylContact O-C 3.54Å; E253-V288 WeakPolarHBondContact O-CA 3.47Å; E253-V288 WeakPolarHBondContact O-CB 3.17Å; A286-V288 HydrophobicContact CB-CG1 4.26Å; V288-E296 CarbonylContact O-C 3.42Å; V288-E296 WeakPolarHBondContact O-CA 3.28Å; V288-F297 HydrophobicContact CG2-CD1 4.15Å; V288-F297 HydrophobicContact CG2-CD2 3.63Å; V288-F297 HydrophobicContact CG2-CE1 3.86Å; V288-F297 HydrophobicContact CG2-CE2 3.31Å; V288-F297 HydrophobicContact CG2-CG 4.05Å; V288-F297 HydrophobicContact CG2-CZ 3.43Å; V288-F297 VanDerWaalsContact CG2-CZ 3.43Å; V288-F297 WeakPolarHBondContact CG2-O 3.13Å; V288-F297 PolarHBondContact N-O 2.93Å; V288-F297 PolarHBondContact O-N 3.42Å; V288-I299 HydrophobicContact CG1-CD1 4.01Å; V288-I299 HydrophobicContact CG1-CG1 4.33Å; V288-I299 HydrophobicContact CG2-CD1 3.93Å; V288-I299 HydrophobicContact CG2-CG1 3.96Å
289R98.7Very high95Very high78 Ų7849.1 Ų49.129%0.29426%0.26SS..EExtended strand (participates in β ladder)trans-122.2124.2175.2-173.8-175.6-60.2132.2-5.7109.9V252 E253 V255 R291 E296V252-R289 WeakPolarHBondContact CA-O 3.28Å; E253-R289 PolarHBondContact N-O 2.65Å; E253-R289 PolarHBondContact O-N 3.01Å; E253-R289 IonicContact OE2-NH1 2.78Å; E253-R289 PolarHBondContact OE2-NH1 3.42Å; E253-R289 VanDerWaalsContact OE2-NH1 3.16Å; V255-R289 HydrophobicContact CG2-CB 3.65Å; R289-R291 PolarHBondContact O-N 2.91Å; R289-E296 HydrophobicContact CB-CG 3.93Å; R289-E296 HydrophobicContact CG-CG 3.93Å; R289-E296 IonicContact CZ-OE1 2.64Å; R289-E296 VanDerWaalsContact CZ-OE1 3.23Å; R289-E296 IonicContact NE-OE1 2.63Å; R289-E296 PolarHBondContact NE-OE1 2.61Å; R289-E296 IonicContact NH2-OE1 3.04Å; R289-E296 PolarHBondContact NH2-OE1 2.76Å
290D98.5Very high96.5Very high7 Ų747.1 Ų47.14%0.03724%0.244CC..EExtended strand (participates in β ladder)trans-70.8112.9164.71769.4000108.8R62 L292 T293 G294 K295 F297R62-D290 IonicContact CZ-OD1 2.74Å; R62-D290 IonicContact NH1-OD1 3.81Å; R62-D290 PolarHBondContact NH1-OD1 3.18Å; R62-D290 IonicContact NH1-OD2 2.78Å; R62-D290 PolarHBondContact NH1-OD2 3.33Å; R62-D290 IonicContact NH2-OD1 3.17Å; R62-D290 PolarHBondContact NH2-OD1 3.29Å; D290-L292 PolarHBondContact O-N 3.39Å; D290-L292 WeakPolarHBondContact OD1-CB 3.33Å; D290-L292 PolarHBondContact OD1-N 3.48Å; D290-T293 WeakPolarHBondContact CB-OG1 3.46Å; D290-T293 PolarHBondContact O-N 3.4Å; D290-T293 VanDerWaalsContact OD2-CG2 3.27Å; D290-T293 WeakPolarHBondContact OD2-CG2 3.35Å; D290-T293 PolarHBondContact OD2-OG1 3.46Å; D290-G294 VanDerWaalsContact O-CA 3.24Å; D290-G294 WeakPolarHBondContact O-CA 3.48Å; D290-G294 PolarHBondContact O-N 3.43Å; D290-K295 PolarHBondContact N-O 2.84Å; D290-F297 HydrophobicContact CB-CE1 4.47Å
291R98Very high97.4Very high121 Ų12145.2 Ų45.246%0.45723%0.233SC..THydrogen-bonded Turntrans-73.1-15-177.9-63.2-158.570.4-151.1-1.7113.5R105 Y251 E253 R289R105-R291 WeakPolarHBondContact O-CD 3.46Å; Y251-R291 PolarHBondContact O-N 3.06Å; E253-R291 HydrophobicContact CB-CG 4.1Å; R289-R291 PolarHBondContact O-N 2.91Å
292L96.5Very high97.8Very high54 Ų5448.7 Ų48.728%0.28324%0.238SC..THydrogen-bonded Turntrans-81.4-34.8175.7-57.1-172.6000112.1Y251 D290 C565 H566Y251-L292 HydrophobicContact CD1-CD2 4.15Å; Y251-L292 HydrophobicContact CD2-CD2 4.31Å; Y251-L292 HydrophobicContact CG-CD2 3.9Å; Y251-L292 HydrophobicContact CG-CG 4.24Å; D290-L292 PolarHBondContact O-N 3.39Å; D290-L292 WeakPolarHBondContact OD1-CB 3.33Å; D290-L292 PolarHBondContact OD1-N 3.48Å; L292-C565 HydrophobicContact CD1-CB 3.74Å; L292-C565 HydrophobicContact CD2-CB 4.35Å; L292-H566 VanDerWaalsContact CD2-NE2 3.29Å; L292-H566 WeakPolarHBondContact CD2-NE2 3.43Å
293T96Very high97.9Very high96 Ų9647.2 Ų47.259%0.58923%0.228SC*.THydrogen-bonded Turntrans-109.8-16.4-175.862.90000114.1D290 K295D290-T293 WeakPolarHBondContact CB-OG1 3.46Å; D290-T293 PolarHBondContact O-N 3.4Å; D290-T293 VanDerWaalsContact OD2-CG2 3.27Å; D290-T293 WeakPolarHBondContact OD2-CG2 3.35Å; D290-T293 PolarHBondContact OD2-OG1 3.46Å; T293-K295 PolarHBondContact O-N 2.99Å; T293-K295 PolarHBondContact OG1-N 2.76Å
294G97.5Very high98Very high48 Ų4846.7 Ų46.750%0.49523%0.226SC..  trans76.6-2.9-172.500000114.2D290D290-G294 VanDerWaalsContact O-CA 3.24Å; D290-G294 WeakPolarHBondContact O-CA 3.48Å; D290-G294 PolarHBondContact O-N 3.43Å
295K97.9Very high98.1Very high137 Ų13746.2 Ų46.260%0.59622%0.222SC*.  trans-70.6131.1-177.5-174.9179.8177.6-175.60110.9D290 T293D290-K295 PolarHBondContact N-O 2.84Å; T293-K295 PolarHBondContact O-N 2.99Å; T293-K295 PolarHBondContact OG1-N 2.76Å
296E98.5Very high98.2Very high70 Ų7046.2 Ų46.233%0.32722%0.222SC..EExtended strand (participates in β ladder)trans-99.1145.4171-64.2-171.7-177.200111.6R287 V288 R289R287-E296 IonicContact CZ-OE2 3.76Å; R287-E296 IonicContact NH1-OE2 3.28Å; R287-E296 PolarHBondContact NH1-OE2 2.92Å; V288-E296 CarbonylContact O-C 3.42Å; V288-E296 WeakPolarHBondContact O-CA 3.28Å; R289-E296 HydrophobicContact CB-CG 3.93Å; R289-E296 HydrophobicContact CG-CG 3.93Å; R289-E296 IonicContact CZ-OE1 2.64Å; R289-E296 VanDerWaalsContact CZ-OE1 3.23Å; R289-E296 IonicContact NE-OE1 2.63Å; R289-E296 PolarHBondContact NE-OE1 2.61Å; R289-E296 IonicContact NH2-OE1 3.04Å; R289-E296 PolarHBondContact NH2-OE1 2.76Å
297F98.5Very high98.2Very high29 Ų2946.6 Ų46.613%0.12723%0.225CC..EExtended strand (participates in β ladder)trans-156171.9174.358.7-85.6000110L66 M69 A70 V288 D290 I299L66-F297 HydrophobicContact CD2-CE1 4.3Å; L66-F297 HydrophobicContact CD2-CZ 3.82Å; M69-F297 HydrophobicContact CB-CE2 3.89Å; A70-F297 HydrophobicContact CB-CB 4.2Å; A70-F297 HydrophobicContact CB-CD2 3.6Å; A70-F297 HydrophobicContact CB-CE2 4.07Å; A70-F297 HydrophobicContact CB-CG 3.88Å; V288-F297 HydrophobicContact CG2-CD1 4.15Å; V288-F297 HydrophobicContact CG2-CD2 3.63Å; V288-F297 HydrophobicContact CG2-CE1 3.86Å; V288-F297 HydrophobicContact CG2-CE2 3.31Å; V288-F297 HydrophobicContact CG2-CG 4.05Å; V288-F297 HydrophobicContact CG2-CZ 3.43Å; V288-F297 VanDerWaalsContact CG2-CZ 3.43Å; V288-F297 WeakPolarHBondContact CG2-O 3.13Å; V288-F297 PolarHBondContact N-O 2.93Å; V288-F297 PolarHBondContact O-N 3.42Å; D290-F297 HydrophobicContact CB-CE1 4.47Å; F297-I299 HydrophobicContact CD2-CG1 4.22Å; F297-I299 HydrophobicContact CE2-CD1 4.12Å; F297-I299 HydrophobicContact CE2-CG1 3.84Å
298T98.5Very high98.1Very high55 Ų5543.6 Ų43.634%0.33722%0.217SC..EExtended strand (participates in β ladder)trans-109.2134.9-178.6-67.90000110.4I258 N300I258-T298 HydrophobicContact CD1-CG2 3.31Å; T298-N300 WeakPolarHBondContact CG2-OD1 3.33Å
299I98.6Very high98Very high0 Ų044.6 Ų44.60%023%0.227CC..EExtended strand (participates in β ladder)trans-105.3118.5167.5-55.3179.6000107.7M69 F75 L78 C101 I103 G285 A286 V288 F297M69-I299 HydrophobicContact CB-CD1 3.93Å; M69-I299 HydrophobicContact CB-CG1 4.1Å; M69-I299 HydrophobicContact CG-CD1 4.13Å; M69-I299 HydrophobicContact SD-CD1 3.99Å; F75-I299 HydrophobicContact CD2-CG2 3.94Å; F75-I299 HydrophobicContact CE2-CG2 4.23Å; L78-I299 HydrophobicContact CD1-CD1 4.3Å; L78-I299 HydrophobicContact CD1-CG2 4.26Å; L78-I299 HydrophobicContact CD2-CB 4.25Å; L78-I299 HydrophobicContact CD2-CG2 4.21Å; C101-I299 HydrophobicContact CB-CG2 4.42Å; I103-I299 HydrophobicContact CG2-CD1 3.83Å; G285-I299 CarbonylContact C-O 3.43Å; G285-I299 WeakPolarHBondContact CA-O 3.28Å; A286-I299 PolarHBondContact N-O 3.17Å; A286-I299 PolarHBondContact O-N 3.03Å; V288-I299 HydrophobicContact CG1-CD1 4.01Å; V288-I299 HydrophobicContact CG1-CG1 4.33Å; V288-I299 HydrophobicContact CG2-CD1 3.93Å; V288-I299 HydrophobicContact CG2-CG1 3.96Å; F297-I299 HydrophobicContact CD2-CG1 4.22Å; F297-I299 HydrophobicContact CE2-CD1 4.12Å; F297-I299 HydrophobicContact CE2-CG1 3.84Å
300N98.4Very high97.9Very high47 Ų4741.1 Ų41.125%0.25122%0.215SC..EExtended strand (participates in β ladder)trans-87.6130.7176.6-61.3-45000109.6L74 F75 T298L74-N300 HydrophobicContact CD1-CB 4Å; F75-N300 PolarHBondContact N-O 3.29Å; T298-N300 WeakPolarHBondContact CG2-OD1 3.33Å
301A98.3Very high97.8Very high1 Ų142.8 Ų42.81%0.00822%0.222CC..EExtended strand (participates in β ladder)trans-147.1143.7178.500000112.7F75 L78 S284 C303 V304F75-A301 HydrophobicContact CB-CB 4.3Å; F75-A301 CarbonylContact O-C 3.55Å; F75-A301 VanDerWaalsContact O-CA 3.23Å; F75-A301 WeakPolarHBondContact O-CA 3.1Å; L78-A301 HydrophobicContact CB-CB 3.56Å; S284-A301 CarbonylContact C-O 3.54Å; S284-A301 VanDerWaalsContact CA-O 3.3Å; S284-A301 WeakPolarHBondContact CA-O 3.35Å; S284-A301 PolarHBondContact O-N 3.25Å; S284-A301 VanDerWaalsContact O-O 3.06Å; A301-C303 VanDerWaalsContact C-N 3.33Å; A301-V304 HydrophobicContact CB-CG2 4.41Å
302R97.5Very high97.7Very high136 Ų13637 Ų3751%0.51320%0.2SC..EExtended strand (participates in β ladder)trans-69.4-32.2174.4-64.8176.2175.4-102.5-1.2112.6L74 F75 D76 C473 L475L74-R302 HydrophobicContact CD1-CG 4.25Å; L74-R302 HydrophobicContact CD2-CG 4.18Å; L74-R302 HydrophobicContact CG-CG 4.18Å; F75-R302 PolarHBondContact O-N 2.88Å; D76-R302 IonicContact OD1-NE 3.26Å; R302-C473 PolarHBondContact O-SG 2.86Å; R302-L475 HydrophobicContact CB-CD2 3.79Å
303C98.3Very high97.7Very high1 Ų134.8 Ų34.81%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-134.2133.2178.5-1720000109.5D76 V77 L78 A301 C473 L475D76-C303 WeakPolarHBondContact O-CB 3.46Å; D76-C303 PolarHBondContact O-N 2.92Å; V77-C303 CarbonylContact C-O 3.57Å; V77-C303 WeakPolarHBondContact CA-O 3.32Å; L78-C303 PolarHBondContact N-O 3.15Å; A301-C303 VanDerWaalsContact C-N 3.33Å; C303-C473 HydrophobicContact CB-CB 3.86Å; C303-C473 VanDerWaalsContact CB-SG 3.6Å; C303-L475 HydrophobicContact CB-CD1 4.1Å; C303-L475 HydrophobicContact CB-CD2 4.37Å
304V98.8Very high97.7Very high1 Ų132.8 Ų32.81%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-114127.4171.4-179.40000108.2L78 I80 I257 V283 A301 L447 I448L78-V304 HydrophobicContact CB-CG2 4.3Å; L78-V304 HydrophobicContact CD2-CG2 4.26Å; L78-V304 CarbonylContact O-C 3.47Å; L78-V304 WeakPolarHBondContact O-CA 3.4Å; I80-V304 HydrophobicContact CD1-CG1 3.68Å; I80-V304 HydrophobicContact CG1-CG1 4.14Å; I257-V304 HydrophobicContact CD1-CG1 4.32Å; V283-V304 HydrophobicContact CG1-CB 3.73Å; V283-V304 HydrophobicContact CG1-CG2 3.43Å; V283-V304 VanDerWaalsContact CG1-CG2 3.43Å; A301-V304 HydrophobicContact CB-CG2 4.41Å; V304-L447 HydrophobicContact CB-CD1 4.02Å; V304-L447 HydrophobicContact CG1-CD1 3.76Å; V304-I448 PolarHBondContact O-N 3.24Å; V304-I448 VanDerWaalsContact O-N 3.14Å
305I98.9Very high97.8Very high0 Ų031 Ų310%016%0.158CC..EExtended strand (participates in β ladder)trans-114.7117.7179.8-58.6172.3000108.6V77 L78 V79 I80 V89 I448 I450 T465 A469V77-I305 HydrophobicContact CG1-CD1 3.59Å; V77-I305 HydrophobicContact CG1-CG1 4.21Å; L78-I305 PolarHBondContact O-N 3.28Å; V79-I305 WeakPolarHBondContact CA-O 3.13Å; I80-I305 PolarHBondContact N-O 2.97Å; V89-I305 HydrophobicContact CG1-CD1 3.55Å; V89-I305 HydrophobicContact CG1-CG2 4.25Å; I305-I448 CarbonylContact C-O 3.58Å; I305-I448 VanDerWaalsContact CA-O 3.31Å; I305-I448 WeakPolarHBondContact CA-O 3.33Å; I305-I448 HydrophobicContact CG1-CB 4.31Å; I305-I450 HydrophobicContact CG2-CG2 4.12Å; I305-T465 HydrophobicContact CD1-CG2 4.15Å; I305-T465 HydrophobicContact CG2-CG2 3.67Å; I305-A469 HydrophobicContact CD1-CB 4.06Å
306N98.8Very high97.7Very high0 Ų025 Ų250%013%0.131CC..EExtended strand (participates in β ladder)trans-85.9115.2171.9174.326.5000110T308 T312 I315 L447 I448 T449 I450N306-T308 WeakPolarHBondContact OD1-CG2 3.49Å; N306-T308 PolarHBondContact OD1-N 3.24Å; N306-T308 PolarHBondContact OD1-OG1 3.32Å; N306-T312 PolarHBondContact ND2-O 3.48Å; N306-T312 PolarHBondContact ND2-OG1 3.4Å; N306-T312 VanDerWaalsContact ND2-OG1 3.13Å; N306-I315 HydrophobicContact CB-CB 4.32Å; N306-I315 HydrophobicContact CB-CG2 3.82Å; N306-L447 HydrophobicContact CB-CD1 4.43Å; N306-I448 PolarHBondContact N-O 3.34Å; N306-T449 HydrophobicContact CB-CG2 4.37Å; N306-T449 WeakPolarHBondContact ND2-CG2 2.94Å; N306-T449 PolarHBondContact ND2-OG1 3.32Å; N306-I450 WeakPolarHBondContact O-CG2 3.12Å; N306-I450 PolarHBondContact O-N 3.02Å
307A98.3Very high97.6Very high8 Ų825 Ų257%0.06613%0.131CC..  trans-130.935.1179.600000111.6V79 I80 G309 I450V79-A307 HydrophobicContact CG1-CB 4.25Å; I80-A307 CarbonylContact O-C 3.5Å; I80-A307 WeakPolarHBondContact O-CA 3.18Å; I80-A307 PolarHBondContact O-N 2.76Å; A307-G309 VanDerWaalsContact C-N 3.25Å; A307-G309 PolarHBondContact O-N 3.38Å; A307-I450 HydrophobicContact CB-CG2 3.67Å
308T97.9Very high97.6Very high26 Ų2627.3 Ų27.316%0.1614%0.143CC..  trans-84.515.4-170.859.20000115I80 N306 F311 T312 I315I80-T308 HydrophobicContact CB-CG2 4.31Å; I80-T308 HydrophobicContact CG2-CG2 3.7Å; I80-T308 VanDerWaalsContact O-CG2 3.32Å; I80-T308 WeakPolarHBondContact O-CG2 3.47Å; N306-T308 WeakPolarHBondContact OD1-CG2 3.49Å; N306-T308 PolarHBondContact OD1-N 3.24Å; N306-T308 PolarHBondContact OD1-OG1 3.32Å; T308-F311 PolarHBondContact O-N 2.83Å; T308-F311 PolarHBondContact OG1-O 2.73Å; T308-T312 WeakPolarHBondContact OG1-CA 3.48Å; T308-T312 PolarHBondContact OG1-N 3.41Å; T308-T312 VanDerWaalsContact OG1-N 3.13Å; T308-I315 HydrophobicContact CG2-CG1 3.79Å
309G95.9Very high97.4Very high21 Ų2125.2 Ų25.222%0.21613%0.13CC..G310 helixtrans57.8-123.617400000112A307 F311 T312A307-G309 VanDerWaalsContact C-N 3.25Å; A307-G309 PolarHBondContact O-N 3.38Å; G309-F311 PolarHBondContact O-N 3.39Å; G309-F311 VanDerWaalsContact O-N 3.13Å; G309-T312 VanDerWaalsContact O-CB 3.29Å; G309-T312 WeakPolarHBondContact O-CB 3.4Å; G309-T312 PolarHBondContact O-N 2.86Å; G309-T312 VanDerWaalsContact O-N 3.08Å
310P95.7Very high97.2Very high5 Ų528.4 Ų28.43%0.03215%0.147CC..G310 helixtrans-58.3-24.3178.4-24.634.4000114.2T112 T312 L379 I419 P421T112-P310 WeakPolarHBondContact OG1-CD 3.45Å; T112-P310 WeakPolarHBondContact OG1-CG 3.35Å; P310-T312 VanDerWaalsContact C-N 3.27Å; P310-T312 PolarHBondContact O-N 2.81Å; P310-L379 HydrophobicContact CB-CD2 3.44Å; P310-L379 VanDerWaalsContact CB-CD2 3.44Å; P310-L379 VanDerWaalsContact O-CD1 3.32Å; P310-L379 WeakPolarHBondContact O-CD1 3.38Å; P310-L379 WeakPolarHBondContact O-CD2 3.48Å; P310-I419 HydrophobicContact CB-CB 4.44Å; P310-I419 HydrophobicContact CB-CG2 3.71Å; P310-I419 HydrophobicContact CG-CB 4Å; P310-I419 HydrophobicContact CG-CG2 3.64Å; P310-P421 HydrophobicContact CG-CB 4.07Å
311F97.1Very high96.9Very high42 Ų4235 Ų3518%0.18417%0.173CC..G310 helixtrans-89.713.8-180-58.1-86.8000113.1T308 G309 D313 S314 L379 D381T308-F311 PolarHBondContact O-N 2.83Å; T308-F311 PolarHBondContact OG1-O 2.73Å; G309-F311 PolarHBondContact O-N 3.39Å; G309-F311 VanDerWaalsContact O-N 3.13Å; F311-D313 PolarHBondContact O-N 2.74Å; F311-S314 WeakPolarHBondContact O-CB 3.33Å; F311-S314 PolarHBondContact O-N 3.33Å; F311-S314 VanDerWaalsContact O-N 3.11Å; F311-L379 HydrophobicContact CE1-CB 4.46Å; F311-D381 VanDerWaalsContact CE1-OD1 3.23Å; F311-D381 WeakPolarHBondContact CE1-OD1 3.24Å; F311-D381 WeakPolarHBondContact CZ-OD1 3.24Å
312T96.8Very high96.5Very high0 Ų043.3 Ų43.30%021%0.212CC..Hα-helixtrans-54.8-41.5-176.7-169.70000112.4N306 T308 G309 P310 S314 I315 R316 I326 C327 T449 A451N306-T312 PolarHBondContact ND2-O 3.48Å; N306-T312 PolarHBondContact ND2-OG1 3.4Å; N306-T312 VanDerWaalsContact ND2-OG1 3.13Å; T308-T312 WeakPolarHBondContact OG1-CA 3.48Å; T308-T312 PolarHBondContact OG1-N 3.41Å; T308-T312 VanDerWaalsContact OG1-N 3.13Å; G309-T312 VanDerWaalsContact O-CB 3.29Å; G309-T312 WeakPolarHBondContact O-CB 3.4Å; G309-T312 PolarHBondContact O-N 2.86Å; G309-T312 VanDerWaalsContact O-N 3.08Å; P310-T312 VanDerWaalsContact C-N 3.27Å; P310-T312 PolarHBondContact O-N 2.81Å; T312-S314 VanDerWaalsContact C-N 3.31Å; T312-S314 PolarHBondContact O-N 3.02Å; T312-I315 PolarHBondContact O-N 2.86Å; T312-R316 WeakPolarHBondContact O-CG 3.5Å; T312-R316 PolarHBondContact O-N 3.36Å; T312-I326 HydrophobicContact CG2-CD1 4.14Å; T312-I326 HydrophobicContact CG2-CG1 4.09Å; T312-C327 HydrophobicContact CG2-CB 3.83Å; T312-T449 WeakPolarHBondContact OG1-CG2 3.44Å; T312-A451 HydrophobicContact CG2-CB 4.21Å
313D96.7Very high96.1Very high8 Ų838.1 Ų38.14%0.04319%0.194CC..Hα-helixtrans-69.1-28.7-177.7-72-47.5000113F311 I315 R316 Q317 T325 I326 C327F311-D313 PolarHBondContact O-N 2.74Å; D313-I315 VanDerWaalsContact C-N 3.27Å; D313-I315 PolarHBondContact O-N 3.41Å; D313-R316 PolarHBondContact O-N 3Å; D313-R316 IonicContact OD1-NH1 3.69Å; D313-R316 PolarHBondContact OD1-NH1 3.24Å; D313-Q317 VanDerWaalsContact O-CB 3.28Å; D313-Q317 WeakPolarHBondContact O-CB 3.28Å; D313-Q317 VanDerWaalsContact O-CG 3.27Å; D313-Q317 WeakPolarHBondContact O-CG 3.24Å; D313-Q317 PolarHBondContact O-N 3.01Å; D313-T325 HydrophobicContact CB-CG2 4.04Å; D313-T325 WeakPolarHBondContact OD1-CA 3.44Å; D313-T325 WeakPolarHBondContact OD2-CA 3.5Å; D313-T325 WeakPolarHBondContact OD2-CB 3.36Å; D313-I326 VanDerWaalsContact OD1-CG1 3.28Å; D313-I326 WeakPolarHBondContact OD1-CG1 3.3Å; D313-I326 PolarHBondContact OD1-N 3.33Å; D313-I326 PolarHBondContact OD2-N 3.05Å; D313-C327 WeakPolarHBondContact OD2-CB 3.33Å; D313-C327 PolarHBondContact OD2-N 3.36Å
314S96.1Very high95.7Very high54 Ų5442.6 Ų42.638%0.37822%0.223SC..Hα-helixtrans-60.3-39.2174.9-54.10000111.4F311 T312 M318F311-S314 WeakPolarHBondContact O-CB 3.33Å; F311-S314 PolarHBondContact O-N 3.33Å; F311-S314 VanDerWaalsContact O-N 3.11Å; T312-S314 VanDerWaalsContact C-N 3.31Å; T312-S314 PolarHBondContact O-N 3.02Å; S314-M318 VanDerWaalsContact O-CG 3.3Å; S314-M318 WeakPolarHBondContact O-CG 3.42Å; S314-M318 PolarHBondContact O-N 3.32Å
315I97.7Very high95.4Very high11 Ų1146.8 Ų46.86%0.05625%0.248CC..Hα-helixtrans-79.4-39.2177.3-57.2-57.4000111.4I80 A254 I257 N306 T308 T312 D313 Q317 M318 D319 L447I80-I315 HydrophobicContact CD1-CG2 4.24Å; I80-I315 HydrophobicContact CG2-CD1 4.11Å; I80-I315 HydrophobicContact CG2-CG1 4.32Å; A254-I315 HydrophobicContact CB-CD1 4.21Å; I257-I315 HydrophobicContact CD1-CG2 4.18Å; N306-I315 HydrophobicContact CB-CB 4.32Å; N306-I315 HydrophobicContact CB-CG2 3.82Å; T308-I315 HydrophobicContact CG2-CG1 3.79Å; T312-I315 PolarHBondContact O-N 2.86Å; D313-I315 VanDerWaalsContact C-N 3.27Å; D313-I315 PolarHBondContact O-N 3.41Å; I315-Q317 VanDerWaalsContact C-N 3.28Å; I315-Q317 PolarHBondContact O-N 3.3Å; I315-M318 HydrophobicContact CD1-CE 4.09Å; I315-M318 HydrophobicContact CD1-SD 3.79Å; I315-M318 WeakPolarHBondContact O-CB 3.37Å; I315-M318 PolarHBondContact O-N 3.16Å; I315-D319 PolarHBondContact O-N 2.84Å; I315-L447 HydrophobicContact CG2-CD2 4.26Å
316R97.2Very high95.1Very high9 Ų947 Ų473%0.03425%0.25CC..Hα-helixtrans-59.9-39.5175.2-66.7177.373.7-114.7-3.1111.8T312 D313 D319 N320 P324 D441 T449T312-R316 WeakPolarHBondContact O-CG 3.5Å; T312-R316 PolarHBondContact O-N 3.36Å; D313-R316 PolarHBondContact O-N 3Å; D313-R316 IonicContact OD1-NH1 3.69Å; D313-R316 PolarHBondContact OD1-NH1 3.24Å; R316-D319 WeakPolarHBondContact O-CB 3.41Å; R316-D319 PolarHBondContact O-N 3.42Å; R316-D319 VanDerWaalsContact O-N 3.13Å; R316-N320 PolarHBondContact O-N 2.97Å; R316-P324 PolarHBondContact NH1-O 3.39Å; R316-D441 IonicContact NE-OD2 3.09Å; R316-D441 IonicContact NH2-OD2 2.7Å; R316-D441 PolarHBondContact NH2-OD2 2.93Å; R316-T449 HydrophobicContact CG-CG2 4.23Å
317Q96.6Very high94.8Very high71 Ų7147.7 Ų47.733%0.33225%0.254SS..Hα-helixtrans-75.7-23.3177.9-70.3175.6-1200113.5D313 I315 D319 N320 K321D313-Q317 VanDerWaalsContact O-CB 3.28Å; D313-Q317 WeakPolarHBondContact O-CB 3.28Å; D313-Q317 VanDerWaalsContact O-CG 3.27Å; D313-Q317 WeakPolarHBondContact O-CG 3.24Å; D313-Q317 PolarHBondContact O-N 3.01Å; I315-Q317 VanDerWaalsContact C-N 3.28Å; I315-Q317 PolarHBondContact O-N 3.3Å; Q317-D319 VanDerWaalsContact C-N 3.28Å; Q317-N320 WeakPolarHBondContact CA-O 3.48Å; Q317-N320 CarbonylContact O-C 3.14Å; Q317-K321 WeakPolarHBondContact O-CG 3.3Å; Q317-K321 PolarHBondContact O-N 2.83Å
318M96.7Very high94.5Very high78 Ų7849.7 Ų49.738%0.38426%0.262SS..Hα-helixtrans-65.3-33.4165.4-71.7173-167.500111.6I257 S314 I315I257-M318 HydrophobicContact CG1-CB 3.92Å; S314-M318 VanDerWaalsContact O-CG 3.3Å; S314-M318 WeakPolarHBondContact O-CG 3.42Å; S314-M318 PolarHBondContact O-N 3.32Å; I315-M318 HydrophobicContact CD1-CE 4.09Å; I315-M318 HydrophobicContact CD1-SD 3.79Å; I315-M318 WeakPolarHBondContact O-CB 3.37Å; I315-M318 PolarHBondContact O-N 3.16Å
319D95.7Very high94.2Very high10 Ų1049.2 Ų49.25%0.05326%0.26CS..Hα-helixtrans-73.3-49.5172.9176.641.7000111.7K259 I315 R316 Q317 S443 S445 L447K259-D319 WeakPolarHBondContact CE-OD1 3.2Å; K259-D319 PolarHBondContact NZ-O 3.12Å; K259-D319 IonicContact NZ-OD1 2.77Å; K259-D319 PolarHBondContact NZ-OD1 3.33Å; I315-D319 PolarHBondContact O-N 2.84Å; R316-D319 WeakPolarHBondContact O-CB 3.41Å; R316-D319 PolarHBondContact O-N 3.42Å; R316-D319 VanDerWaalsContact O-N 3.13Å; Q317-D319 VanDerWaalsContact C-N 3.28Å; D319-S443 WeakPolarHBondContact OD2-CB 3.1Å; D319-S443 PolarHBondContact OD2-OG 3.14Å; D319-S445 WeakPolarHBondContact OD1-CB 3.36Å; D319-S445 PolarHBondContact OD1-OG 3.48Å; D319-S445 PolarHBondContact OD2-OG 3.29Å; D319-L447 HydrophobicContact CB-CD2 3.67Å
320N93.6Very high94Very high68 Ų6848.5 Ų48.536%0.36425%0.251SS..  trans-149.8115.9172.9174.44.8000111.1R316 Q317 E322 Q323R316-N320 PolarHBondContact O-N 2.97Å; Q317-N320 WeakPolarHBondContact CA-O 3.48Å; Q317-N320 CarbonylContact O-C 3.14Å; N320-E322 PolarHBondContact O-N 2.63Å; N320-E322 PolarHBondContact OD1-N 2.95Å; N320-Q323 HydrophobicContact CB-CG 3.79Å; N320-Q323 WeakPolarHBondContact O-CG 3.32Å; N320-Q323 PolarHBondContact O-N 3.31Å
321K92.7Very high93.8Very high184 Ų18449.2 Ų49.280%0.826%0.255SS*.THydrogen-bonded Turntrans-61.7-24.3-176.7-66.1-178.3179.31790114.4Q317 Q323Q317-K321 WeakPolarHBondContact O-CG 3.3Å; Q317-K321 PolarHBondContact O-N 2.83Å; K321-Q323 VanDerWaalsContact C-N 3.3Å
322E90.4Very high93.6Very high177 Ų17747.3 Ų47.383%0.82725%0.246SC*.THydrogen-bonded Turntrans-84.2-5.5-176.3-61.3179.6173.600113.1N320N320-E322 PolarHBondContact O-N 2.63Å; N320-E322 PolarHBondContact OD1-N 2.95Å
323Q88.6Confident93.5Very high26 Ų2647.3 Ų47.312%0.12125%0.246CC..SBendtrans-71.3134.3-179.3-62.3-177.6-0.600111.3N320 K321N320-Q323 HydrophobicContact CB-CG 3.79Å; N320-Q323 WeakPolarHBondContact O-CG 3.32Å; N320-Q323 PolarHBondContact O-N 3.31Å; K321-Q323 VanDerWaalsContact C-N 3.3Å
324P90Very high93.5Very high95 Ų9547 Ų4762%0.61725%0.245SC*.PPolyproline II helixtrans-65.8149.6175.328.5-34.6000110.8R316R316-P324 PolarHBondContact NH1-O 3.39Å
325T92.7Very high93.6Very high89 Ų8944.4 Ų44.455%0.54623%0.227SC..PPolyproline II helixtrans-67.7139.8173.354.10000110.4D313D313-T325 HydrophobicContact CB-CG2 4.04Å; D313-T325 WeakPolarHBondContact OD1-CA 3.44Å; D313-T325 WeakPolarHBondContact OD2-CA 3.5Å; D313-T325 WeakPolarHBondContact OD2-CB 3.36Å
326I92.4Very high93.5Very high5 Ų543.9 Ų43.93%0.02622%0.224CC..  trans-108.7-22.4177.855.8160.5000112T312 D313 V423 R424 P426 I439 A451T312-I326 HydrophobicContact CG2-CD1 4.14Å; T312-I326 HydrophobicContact CG2-CG1 4.09Å; D313-I326 VanDerWaalsContact OD1-CG1 3.28Å; D313-I326 WeakPolarHBondContact OD1-CG1 3.3Å; D313-I326 PolarHBondContact OD1-N 3.33Å; D313-I326 PolarHBondContact OD2-N 3.05Å; I326-V423 HydrophobicContact CB-CG1 4.13Å; I326-V423 HydrophobicContact CD1-CG1 3.97Å; I326-V423 HydrophobicContact CG1-CG1 4.32Å; I326-V423 CarbonylContact O-C 3.56Å; I326-V423 WeakPolarHBondContact O-CA 3.41Å; I326-R424 PolarHBondContact O-N 2.91Å; I326-P426 HydrophobicContact CG2-CB 3.97Å; I326-P426 HydrophobicContact CG2-CG 4.09Å; I326-I439 HydrophobicContact CD1-CD1 3.84Å; I326-A451 HydrophobicContact CD1-CB 4.05Å
327C92.3Very high93.4Very high14 Ų1443.5 Ų43.510%0.09522%0.223CC..EExtended strand (participates in β ladder)trans-87.3129.2-178.3-172.30000111.2T312 D313 P329 L422T312-C327 HydrophobicContact CG2-CB 3.83Å; D313-C327 WeakPolarHBondContact OD2-CB 3.33Å; D313-C327 PolarHBondContact OD2-N 3.36Å; C327-P329 WeakPolarHBondContact O-CD 3.38Å; C327-L422 CarbonylContact C-O 3.6Å; C327-L422 WeakPolarHBondContact CA-O 3.31Å
328Q90.9Very high93.1Very high50 Ų5041.2 Ų41.223%0.23421%0.214CC..EExtended strand (participates in β ladder)trans-112.888.6169.4-171.6170.4-100108.8E376 L422Q328-E376 PolarHBondContact NE2-OE1 2.92Å; Q328-L422 PolarHBondContact N-O 3.35Å; Q328-L422 VanDerWaalsContact O-CB 3.27Å; Q328-L422 WeakPolarHBondContact O-CB 3.34Å
329P92.5Very high92.9Very high17 Ų1738.5 Ų38.511%0.1121%0.206CC..EExtended strand (participates in β ladder)trans-66.2136.2-17526.8-35000112.9C327 C377 L379 I419 R420C327-P329 WeakPolarHBondContact O-CD 3.38Å; P329-C377 WeakPolarHBondContact CG-O 3.48Å; P329-C377 PolarHBondContact O-N 3.22Å; P329-L379 HydrophobicContact CB-CD2 3.74Å; P329-L379 HydrophobicContact CB-CG 4.49Å; P329-L379 HydrophobicContact CG-CD2 3.81Å; P329-L379 HydrophobicContact CG-CG 4.03Å; P329-I419 HydrophobicContact CB-CG2 3.51Å; P329-R420 WeakPolarHBondContact CA-O 3.49Å
330S91.4Very high92.6Very high5 Ų544 Ų444%0.03523%0.227CC..EExtended strand (participates in β ladder)trans-122.1142171.1135.20000110.7D374 T375 I419 R420S330-D374 WeakPolarHBondContact CB-OD1 3.4Å; S330-D374 PolarHBondContact OG-OD1 3.4Å; S330-T375 CarbonylContact C-O 3.56Å; S330-T375 VanDerWaalsContact CA-O 3.29Å; S330-T375 WeakPolarHBondContact CA-O 3.45Å; S330-I419 CarbonylContact O-C 3.54Å; S330-I419 WeakPolarHBondContact O-CA 3.27Å; S330-R420 PolarHBondContact N-O 3.41Å; S330-R420 VanDerWaalsContact N-O 3.17Å; S330-R420 PolarHBondContact O-N 3.02Å
331L92Very high92.4Very high21 Ų2141.3 Ų41.311%0.1121%0.212CC..EExtended strand (participates in β ladder)trans-92136.1177.8-160.873.4000110.2D374 T375 C377 P383 A417 I419 R420L331-D374 WeakPolarHBondContact O-CA 3.26Å; L331-T375 PolarHBondContact N-O 3.19Å; L331-T375 PolarHBondContact O-N 3.36Å; L331-T375 VanDerWaalsContact O-N 3.09Å; L331-C377 HydrophobicContact CB-CB 3.89Å; L331-P383 HydrophobicContact CD1-CB 3.71Å; L331-A417 HydrophobicContact CD1-CB 3.71Å; L331-A417 HydrophobicContact CD2-CB 4.08Å; L331-A417 HydrophobicContact CG-CB 3.89Å; L331-I419 HydrophobicContact CD1-CG1 4.01Å; L331-R420 PolarHBondContact O-NH1 3.3Å
332G92.2Very high92.1Very high1 Ų132.7 Ų32.71%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-128.2120.7171.400000111.9T372 T373 A417 G418 R420G332-T372 VanDerWaalsContact CA-OG1 3.24Å; G332-T372 WeakPolarHBondContact CA-OG1 3.43Å; G332-T373 VanDerWaalsContact CA-O 3.27Å; G332-T373 WeakPolarHBondContact CA-O 3.49Å; G332-A417 CarbonylContact O-C 3.52Å; G332-A417 WeakPolarHBondContact O-CA 3.15Å; G332-G418 PolarHBondContact N-O 3.2Å; G332-G418 PolarHBondContact O-N 2.9Å; G332-R420 VanDerWaalsContact CA-NH1 3.34Å
333V95.4Very high91.8Very high0 Ų024.9 Ų24.90%014%0.139CC..EExtended strand (participates in β ladder)trans-97.3142.7179.1175.30000111.4T372 T373 P385 E389 I393 W416 A417V333-T372 PolarHBondContact N-OG1 3.39Å; V333-T372 VanDerWaalsContact O-CA 3.3Å; V333-T372 WeakPolarHBondContact O-CA 3.45Å; V333-T372 PolarHBondContact O-OG1 2.87Å; V333-T373 HydrophobicContact CB-CG2 4.34Å; V333-T373 WeakPolarHBondContact CB-OG1 3.45Å; V333-T373 PolarHBondContact N-OG1 3.17Å; V333-T373 PolarHBondContact O-N 3.34Å; V333-P385 HydrophobicContact CG1-CB 3.79Å; V333-P385 HydrophobicContact CG2-CB 3.96Å; V333-E389 HydrophobicContact CB-CB 4.15Å; V333-E389 HydrophobicContact CG1-CB 4.24Å; V333-E389 HydrophobicContact CG2-CB 4.07Å; V333-E389 VanDerWaalsContact CG2-CD 3.42Å; V333-E389 HydrophobicContact CG2-CG 4.33Å; V333-E389 WeakPolarHBondContact CG2-OE1 3.31Å; V333-E389 WeakPolarHBondContact CG2-OE2 3.07Å; V333-I393 HydrophobicContact CB-CD1 4.45Å; V333-I393 HydrophobicContact CG1-CD1 4.06Å; V333-W416 VanDerWaalsContact CA-O 3.3Å; V333-W416 WeakPolarHBondContact CA-O 3.39Å; V333-A417 HydrophobicContact CG2-CB 3.87Å
334H97.1Very high91.5Very high1 Ų128.6 Ų28.61%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-129.3157.2169.6-58.885.8000110.1T117 A370 S415 W416T117-H334 PolarHBondContact OG1-NE2 3.1Å; H334-A370 VanDerWaalsContact CA-O 3.27Å; H334-A370 WeakPolarHBondContact CA-O 3.35Å; H334-S415 VanDerWaalsContact O-CA 3.31Å; H334-S415 WeakPolarHBondContact O-CA 3.35Å; H334-W416 HydrophobicContact CB-CD2 4.1Å; H334-W416 HydrophobicContact CB-CE3 4.34Å; H334-W416 HydrophobicContact CB-CH2 3.62Å; H334-W416 HydrophobicContact CB-CZ2 3.34Å; H334-W416 HydrophobicContact CB-CZ3 4.06Å; H334-W416 AromaticContact CG-CZ2 3.85Å; H334-W416 PolarHBondContact N-O 3.1Å; H334-W416 AromaticContact ND1-NE1 3.59Å; H334-W416 PolarHBondContact O-N 2.94Å
335I96.6Very high91.4Very high0 Ų032.5 Ų32.50%017%0.171CC..EExtended strand (participates in β ladder)trans-126.9148.4172.965.8177000110.3L337 A370 V390 I393 L394 I397 V412 S414I335-L337 HydrophobicContact CD1-CD1 4.22Å; I335-L337 HydrophobicContact CD1-CD2 4.43Å; I335-L337 HydrophobicContact CD1-CG 4.25Å; I335-L337 HydrophobicContact CG1-CG 4.47Å; I335-A370 HydrophobicContact CD1-CB 4.39Å; I335-A370 HydrophobicContact CG1-CB 3.86Å; I335-A370 PolarHBondContact N-O 2.87Å; I335-A370 PolarHBondContact O-N 2.86Å; I335-V390 HydrophobicContact CG2-CB 4.4Å; I335-V390 HydrophobicContact CG2-CG1 4.16Å; I335-V390 HydrophobicContact CG2-CG2 3.97Å; I335-I393 HydrophobicContact CD1-CB 4.05Å; I335-I393 HydrophobicContact CD1-CG2 3.56Å; I335-I393 HydrophobicContact CG1-CG2 3.82Å; I335-I393 HydrophobicContact CG2-CD1 4.15Å; I335-L394 HydrophobicContact CD1-CD2 3.76Å; I335-L394 HydrophobicContact CD1-CG 4.13Å; I335-I397 HydrophobicContact CD1-CD1 4.02Å; I335-V412 HydrophobicContact CB-CG1 4.07Å; I335-V412 HydrophobicContact CD1-CG2 4.16Å; I335-V412 HydrophobicContact CG2-CG1 4.27Å; I335-S414 WeakPolarHBondContact CA-O 3.33Å
336I97.1Very high91.4Very high0 Ų028.8 Ų28.80%015%0.148CC..EExtended strand (participates in β ladder)trans-99.6134.9164.3-69.1-39.8000110.2W364 Y367 L369 V412 L413 S414 W416 F579 L580I336-W364 HydrophobicContact CD1-CE3 3.92Å; I336-W364 HydrophobicContact CD1-CZ3 4.17Å; I336-Y367 HydrophobicContact CG2-CD1 4Å; I336-Y367 HydrophobicContact CG2-CG 3.94Å; I336-L369 HydrophobicContact CD1-CB 3.67Å; I336-L369 HydrophobicContact CD1-CD1 4.4Å; I336-L369 HydrophobicContact CD1-CG 4.08Å; I336-V412 CarbonylContact O-C 3.55Å; I336-V412 WeakPolarHBondContact O-CA 3.42Å; I336-L413 HydrophobicContact CB-CB 4.49Å; I336-L413 HydrophobicContact CG2-CB 4.16Å; I336-L413 HydrophobicContact CG2-CD1 4.14Å; I336-L413 PolarHBondContact O-N 2.85Å; I336-S414 WeakPolarHBondContact CB-OG 3.47Å; I336-S414 WeakPolarHBondContact CG1-OG 3.47Å; I336-S414 PolarHBondContact N-O 2.85Å; I336-W416 HydrophobicContact CD1-CH2 3.55Å; I336-W416 HydrophobicContact CD1-CZ3 3.78Å; I336-W416 HydrophobicContact CG1-CH2 3.94Å; I336-W416 HydrophobicContact CG1-CZ3 3.62Å; I336-F579 WeakPolarHBondContact CG1-O 3.29Å; I336-L580 WeakPolarHBondContact CG2-O 3.25Å
337L93.7Very high91.4Very high2 Ų228.5 Ų28.51%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-121.3162.1171.5-65.2169.2000110.5I335 Y341 S368 L394 I397 D411 V412I335-L337 HydrophobicContact CD1-CD1 4.22Å; I335-L337 HydrophobicContact CD1-CD2 4.43Å; I335-L337 HydrophobicContact CD1-CG 4.25Å; I335-L337 HydrophobicContact CG1-CG 4.47Å; L337-Y341 HydrophobicContact CB-CD2 3.67Å; L337-Y341 HydrophobicContact CB-CE2 4.36Å; L337-Y341 HydrophobicContact CB-CG 4.26Å; L337-Y341 HydrophobicContact CD1-CD2 4.27Å; L337-Y341 HydrophobicContact CD1-CG 4.24Å; L337-Y341 HydrophobicContact CG-CD2 4.42Å; L337-S368 PolarHBondContact N-O 3.42Å; L337-S368 PolarHBondContact O-N 3.45Å; L337-L394 HydrophobicContact CD2-CD2 4.18Å; L337-I397 HydrophobicContact CD1-CD1 3.45Å; L337-I397 VanDerWaalsContact CD1-CD1 3.45Å; L337-D411 HydrophobicContact CD2-CB 4.01Å; L337-D411 WeakPolarHBondContact CD2-O 3.19Å; L337-V412 HydrophobicContact CD2-CG2 3.91Å
338P91.6Very high91.3Very high22 Ų2227.9 Ų27.914%0.14314%0.142CC..  trans-48.7141.5168.8-30.833.5000112.5Y340 Y341 S368 D411P338-Y340 HydrophobicContact CB-CD1 3.68Å; P338-Y340 HydrophobicContact CB-CE1 3.21Å; P338-Y340 HydrophobicContact CB-CE2 4.2Å; P338-Y340 HydrophobicContact CB-CG 4.33Å; P338-Y340 VanDerWaalsContact CB-CZ 3.49Å; P338-Y340 HydrophobicContact CG-CE1 3.97Å; P338-Y340 PolarHBondContact O-N 3.45Å; P338-Y341 HydrophobicContact CB-CD2 4.19Å; P338-Y341 HydrophobicContact CB-CE2 4.33Å; P338-Y341 HydrophobicContact CG-CD2 4.42Å; P338-Y341 HydrophobicContact CG-CE2 4.19Å; P338-Y341 WeakPolarHBondContact O-CD2 3.35Å; P338-Y341 PolarHBondContact O-N 2.83Å; P338-Y341 VanDerWaalsContact O-N 3.09Å; P338-S368 PolarHBondContact O-OG 2.92Å; P338-S368 VanDerWaalsContact O-OG 3.12Å; P338-D411 WeakPolarHBondContact CD-O 3.04Å
339G92Very high91.2Very high21 Ų2126.5 Ų26.522%0.21614%0.136CC..G310 helixtrans-60.3-11.5-172.200000116.2Y341 N366 S368G339-Y341 VanDerWaalsContact C-N 3.32Å; G339-N366 VanDerWaalsContact CA-O 3.32Å; G339-N366 WeakPolarHBondContact CA-O 3.33Å; G339-S368 WeakPolarHBondContact CA-OG 3.18Å; G339-S368 PolarHBondContact O-OG 3.4Å
340Y88.8Confident90.8Very high126 Ų12625.7 Ų25.749%0.49413%0.131SC..G310 helixtrans-76.5-15176.756.1-106.7000113.6L211 P338 S342L211-Y340 HydrophobicContact CD1-CD2 4.38Å; L211-Y340 WeakPolarHBondContact CD1-O 3.21Å; P338-Y340 HydrophobicContact CB-CD1 3.68Å; P338-Y340 HydrophobicContact CB-CE1 3.21Å; P338-Y340 HydrophobicContact CB-CE2 4.2Å; P338-Y340 HydrophobicContact CB-CG 4.33Å; P338-Y340 VanDerWaalsContact CB-CZ 3.49Å; P338-Y340 HydrophobicContact CG-CE1 3.97Å; P338-Y340 PolarHBondContact O-N 3.45Å; Y340-S342 VanDerWaalsContact C-N 3.26Å; Y340-S342 PolarHBondContact O-N 3.11Å
341Y89.5Confident90.1Very high11 Ų1126.9 Ų26.94%0.04314%0.139CC..G310 helixtrans-74.8-13.5177.2-74.4-72.4000113.8F209 L337 P338 G339 L401 I405 Q406 V407 D411F209-Y341 WeakPolarHBondContact CZ-O 3.37Å; L337-Y341 HydrophobicContact CB-CD2 3.67Å; L337-Y341 HydrophobicContact CB-CE2 4.36Å; L337-Y341 HydrophobicContact CB-CG 4.26Å; L337-Y341 HydrophobicContact CD1-CD2 4.27Å; L337-Y341 HydrophobicContact CD1-CG 4.24Å; L337-Y341 HydrophobicContact CG-CD2 4.42Å; P338-Y341 HydrophobicContact CB-CD2 4.19Å; P338-Y341 HydrophobicContact CB-CE2 4.33Å; P338-Y341 HydrophobicContact CG-CD2 4.42Å; P338-Y341 HydrophobicContact CG-CE2 4.19Å; P338-Y341 WeakPolarHBondContact O-CD2 3.35Å; P338-Y341 PolarHBondContact O-N 2.83Å; P338-Y341 VanDerWaalsContact O-N 3.09Å; G339-Y341 VanDerWaalsContact C-N 3.32Å; Y341-L401 HydrophobicContact CD1-CD1 3.64Å; Y341-L401 HydrophobicContact CE1-CD1 3.85Å; Y341-I405 HydrophobicContact CE1-CG2 4.12Å; Y341-Q406 PolarHBondContact OH-O 2.96Å; Y341-V407 HydrophobicContact CD1-CG2 4.33Å; Y341-V407 HydrophobicContact CE1-CB 4.38Å; Y341-V407 HydrophobicContact CE1-CG1 4.33Å; Y341-V407 HydrophobicContact CE1-CG2 3.81Å; Y341-D411 HydrophobicContact CE2-CB 4.02Å; Y341-D411 PolarHBondContact OH-OD2 3.24Å
342S87.4Confident89.2Confident4 Ų431.5 Ų31.53%0.02816%0.159CC..SBendtrans-128.9149.8172650000110.3Y340 T344 S368Y340-S342 VanDerWaalsContact C-N 3.26Å; Y340-S342 PolarHBondContact O-N 3.11Å; S342-T344 PolarHBondContact O-N 3.42Å; S342-S368 VanDerWaalsContact CB-OG 3.3Å; S342-S368 WeakPolarHBondContact CB-OG 3.32Å; S342-S368 PolarHBondContact N-OG 2.83Å; S342-S368 WeakPolarHBondContact OG-CB 3.34Å; S342-S368 PolarHBondContact OG-OG 2.9Å
343P83.8Confident88.3Confident12 Ų1231.9 Ų31.98%0.07816%0.161CC..  trans-56.8132.9169.7-21.732.3000111.4F209 K345 M346 P363F209-P343 HydrophobicContact CB-CG 3.72Å; F209-P343 HydrophobicContact CD1-CG 4.35Å; F209-P343 HydrophobicContact CD2-CG 3.79Å; F209-P343 HydrophobicContact CG-CG 3.69Å; P343-K345 PolarHBondContact O-N 3.35Å; P343-M346 HydrophobicContact CB-CB 3.97Å; P343-M346 WeakPolarHBondContact CB-O 3.45Å; P343-M346 WeakPolarHBondContact CD-O 3.37Å; P343-M346 PolarHBondContact O-N 2.88Å; P343-M346 VanDerWaalsContact O-N 3.15Å; P343-P363 WeakPolarHBondContact O-CB 3.4Å; P343-P363 WeakPolarHBondContact O-CG 3.48Å
344T81.3Confident87.2Confident104 Ų10436.5 Ų36.564%0.63819%0.194SC*.THydrogen-bonded Turntrans-55.4-25.5-170.4-440000114.8S342 P363S342-T344 PolarHBondContact O-N 3.42Å; T344-P363 WeakPolarHBondContact O-CB 3.42Å
345K87.7Confident86.2Confident177 Ų17740.1 Ų40.177%0.7721%0.213SC*.THydrogen-bonded Turntrans-130.413.4-176.7-62.5-175.2178.9179.30113.5P164 P343P164-K345 WeakPolarHBondContact CD-O 3.13Å; P164-K345 WeakPolarHBondContact CG-O 3.46Å; P343-K345 PolarHBondContact O-N 3.35Å
346M92.7Very high85.1Confident11 Ų1142.5 Ų42.55%0.05424%0.238CC..  trans-146.2128.9-176.4171.5-178.8-72.100110.3P164 M166 Y198 V222 P343 P363P164-M346 HydrophobicContact CB-CE 4.02Å; P164-M346 HydrophobicContact CB-CG 4.34Å; P164-M346 HydrophobicContact CG-CB 4.03Å; P164-M346 HydrophobicContact CG-CE 4.33Å; P164-M346 HydrophobicContact CG-CG 4.39Å; P164-M346 CarbonylContact O-C 3.58Å; P164-M346 VanDerWaalsContact O-CA 3.28Å; P164-M346 WeakPolarHBondContact O-CA 3.15Å; M166-M346 HydrophobicContact CB-CG 4.13Å; M166-M346 HydrophobicContact CB-SD 3.72Å; M166-M346 HydrophobicContact CG-SD 4.5Å; M166-M346 HydrophobicContact SD-SD 4.31Å; Y198-M346 WeakPolarHBondContact OH-CE 3.31Å; V222-M346 HydrophobicContact CG1-CE 3.94Å; V222-M346 HydrophobicContact CG2-CE 3.82Å; V222-M346 HydrophobicContact CG2-SD 4.24Å; P343-M346 HydrophobicContact CB-CB 3.97Å; P343-M346 WeakPolarHBondContact CB-O 3.45Å; P343-M346 WeakPolarHBondContact CD-O 3.37Å; P343-M346 PolarHBondContact O-N 2.88Å; P343-M346 VanDerWaalsContact O-N 3.15Å; M346-P363 WeakPolarHBondContact O-CD 3.38Å
347G93Very high84.3Confident0 Ų045.3 Ų45.30%025%0.248CC..EExtended strand (participates in β ladder)trans-76.6165.317200000112.1P164 I165 M166 F361P164-G347 PolarHBondContact O-N 2.73Å; I165-G347 CarbonylContact C-O 3.57Å; I165-G347 WeakPolarHBondContact CA-O 3.29Å; M166-G347 PolarHBondContact N-O 2.83Å; G347-F361 CarbonylContact C-O 3.29Å; G347-F361 WeakPolarHBondContact CA-O 3.29Å
348L91.3Very high83.7Confident1 Ų146 Ų461%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-123141.7170-171.2141.8000109.9M166 P168 F209 L212 F360 F361 Y400M166-L348 HydrophobicContact CE-CD1 3.94Å; M166-L348 WeakPolarHBondContact O-CA 3.34Å; P168-L348 HydrophobicContact CG-CD1 4.2Å; P168-L348 HydrophobicContact CG-CD2 4.3Å; P168-L348 HydrophobicContact CG-CG 4.39Å; F209-L348 HydrophobicContact CD1-CD1 3.56Å; F209-L348 HydrophobicContact CE1-CD1 3.54Å; L212-L348 HydrophobicContact CD1-CD1 3.9Å; L348-F360 WeakPolarHBondContact O-CA 3.47Å; L348-F361 HydrophobicContact CB-CB 4.3Å; L348-F361 HydrophobicContact CB-CD2 4.03Å; L348-F361 HydrophobicContact CD2-CD2 3.39Å; L348-F361 HydrophobicContact CD2-CE2 3.66Å; L348-F361 HydrophobicContact CG-CD2 4.28Å; L348-F361 PolarHBondContact N-O 3.41Å; L348-F361 PolarHBondContact O-N 2.6Å; L348-Y400 HydrophobicContact CD2-CD1 4.31Å
349L88.9Confident83.4Confident20 Ų2045 Ų4511%0.10525%0.246CC..EExtended strand (participates in β ladder)trans-113.5123.9177.4175.368.4000109.5I165 M166 L167 Y223 P351 V358 F360I165-L349 HydrophobicContact CG2-CB 3.79Å; M166-L349 PolarHBondContact O-N 3.34Å; L167-L349 HydrophobicContact CD1-CD2 4.45Å; Y223-L349 HydrophobicContact CE1-CD2 4.24Å; L349-P351 WeakPolarHBondContact O-CD 3.46Å; L349-V358 HydrophobicContact CD1-CG1 3.23Å; L349-V358 HydrophobicContact CG-CG1 4.43Å; L349-F360 HydrophobicContact CD1-CD1 3.86Å; L349-F360 HydrophobicContact CD1-CE1 3.48Å; L349-F360 VanDerWaalsContact CD1-CE1 3.48Å; L349-F360 HydrophobicContact CD1-CE2 4.19Å; L349-F360 HydrophobicContact CD1-CG 4.4Å; L349-F360 HydrophobicContact CD1-CZ 3.65Å
350D83.2Confident83.4Confident0 Ų045.3 Ų45.30%024%0.242CC..EExtended strand (participates in β ladder)trans-100.4110.4162.3176.313.3000109.8H352 T353 V358 I359 F361 Y400D350-H352 PolarHBondContact OD1-N 2.96Å; D350-T353 WeakPolarHBondContact OD2-CG2 3.45Å; D350-V358 VanDerWaalsContact O-CA 3.29Å; D350-V358 WeakPolarHBondContact O-CA 3.06Å; D350-V358 WeakPolarHBondContact O-CG1 3.41Å; D350-I359 PolarHBondContact N-O 3.42Å; D350-I359 PolarHBondContact O-N 2.81Å; D350-I359 VanDerWaalsContact O-N 3.12Å; D350-F361 HydrophobicContact CB-CE2 4.17Å; D350-Y400 HydrophobicContact CB-CD2 4.32Å; D350-Y400 HydrophobicContact CB-CE2 3.72Å; D350-Y400 WeakPolarHBondContact OD1-CE2 3.47Å; D350-Y400 VanDerWaalsContact OD1-CZ 3.22Å; D350-Y400 PolarHBondContact OD1-OH 3.37Å; D350-Y400 WeakPolarHBondContact OD2-CE2 3.29Å
351P76.8Confident83.5Confident31 Ų3140 Ų4020%0.20122%0.221CC..SBendtrans-84.3-8.9177.734.5-36000114.8L167 L349L167-P351 HydrophobicContact CD1-CG 3.61Å; L349-P351 WeakPolarHBondContact O-CD 3.46Å
352H73.7Confident83.8Confident118 Ų11839.5 Ų39.555%0.54622%0.219SC..  trans-139.468.6-171.4-57.9-70.8000111Y178 D350Y178-H352 PolarHBondContact OH-NE2 2.93Å; Y178-H352 VanDerWaalsContact OH-NE2 3.13Å; D350-H352 PolarHBondContact OD1-N 2.96Å
353T72.9Confident84.2Confident8 Ų839.8 Ų39.85%0.04922%0.221CC..  trans-64.7169.6168.759.20000110.9D350 D355 G356 R357 I359 E396D350-T353 WeakPolarHBondContact OD2-CG2 3.45Å; T353-D355 PolarHBondContact O-N 3.31Å; T353-D355 PolarHBondContact OG1-OD1 2.92Å; T353-G356 PolarHBondContact O-N 3.36Å; T353-R357 WeakPolarHBondContact CG2-O 3.14Å; T353-R357 PolarHBondContact N-O 3.08Å; T353-R357 VanDerWaalsContact OG1-C 3.23Å; T353-R357 VanDerWaalsContact OG1-CA 3.3Å; T353-R357 WeakPolarHBondContact OG1-CA 3.48Å; T353-R357 WeakPolarHBondContact OG1-CB 3.43Å; T353-R357 PolarHBondContact OG1-N 2.86Å; T353-R357 PolarHBondContact OG1-O 3.05Å; T353-I359 HydrophobicContact CG2-CB 4.03Å; T353-I359 HydrophobicContact CG2-CD1 3.56Å; T353-I359 HydrophobicContact CG2-CG1 3.67Å; T353-E396 WeakPolarHBondContact CA-OE2 3.41Å; T353-E396 WeakPolarHBondContact CB-OE2 3.06Å; T353-E396 HydrophobicContact CG2-CG 4.27Å
354S73.1Confident84.8Confident97 Ų9739.4 Ų39.468%0.67822%0.218SC*.THydrogen-bonded Turntrans-54-26.9-178.863.50000114.6E396S354-E396 WeakPolarHBondContact CB-OE1 3.27Å; S354-E396 PolarHBondContact N-OE1 3.14Å; S354-E396 PolarHBondContact N-OE2 3.01Å; S354-E396 PolarHBondContact OG-OE1 2.97Å
355D75.9Confident85.3Confident77 Ų7736.5 Ų36.541%0.41220%0.198SC..THydrogen-bonded Turntrans-109.27.6179.264.16000114.5T353 R357 F392T353-D355 PolarHBondContact O-N 3.31Å; T353-D355 PolarHBondContact OG1-OD1 2.92Å; D355-R357 VanDerWaalsContact C-N 3.33Å; D355-R357 PolarHBondContact O-N 3.35Å; D355-R357 WeakPolarHBondContact OD1-CB 2.9Å; D355-R357 WeakPolarHBondContact OD1-CG 3.43Å; D355-R357 PolarHBondContact OD1-N 2.91Å; D355-R357 VanDerWaalsContact OD1-N 3.1Å; D355-R357 IonicContact OD1-NE 2.65Å; D355-R357 PolarHBondContact OD1-NE 2.78Å; D355-R357 IonicContact OD2-CZ 3.55Å; D355-R357 IonicContact OD2-NE 3.54Å; D355-R357 PolarHBondContact OD2-NE 3.31Å; D355-R357 IonicContact OD2-NH2 3.57Å; D355-R357 PolarHBondContact OD2-NH2 3.49Å; D355-F392 WeakPolarHBondContact OD2-CZ 3.28Å
356G73.3Confident85.6Confident51 Ų5134.4 Ų34.453%0.52620%0.195SC..SBendtrans79.97.5178.300000115.3T353T353-G356 PolarHBondContact O-N 3.36Å
357R79Confident85.7Confident58 Ų5835.8 Ų35.822%0.21920%0.2CC..  trans-72172.6166.6-67.4-173.4-71.4-167.8-0.3111.1T353 D355 D374T353-R357 WeakPolarHBondContact CG2-O 3.14Å; T353-R357 PolarHBondContact N-O 3.08Å; T353-R357 VanDerWaalsContact OG1-C 3.23Å; T353-R357 VanDerWaalsContact OG1-CA 3.3Å; T353-R357 WeakPolarHBondContact OG1-CA 3.48Å; T353-R357 WeakPolarHBondContact OG1-CB 3.43Å; T353-R357 PolarHBondContact OG1-N 2.86Å; T353-R357 PolarHBondContact OG1-O 3.05Å; D355-R357 VanDerWaalsContact C-N 3.33Å; D355-R357 PolarHBondContact O-N 3.35Å; D355-R357 WeakPolarHBondContact OD1-CB 2.9Å; D355-R357 WeakPolarHBondContact OD1-CG 3.43Å; D355-R357 PolarHBondContact OD1-N 2.91Å; D355-R357 VanDerWaalsContact OD1-N 3.1Å; D355-R357 IonicContact OD1-NE 2.65Å; D355-R357 PolarHBondContact OD1-NE 2.78Å; D355-R357 IonicContact OD2-CZ 3.55Å; D355-R357 IonicContact OD2-NE 3.54Å; D355-R357 PolarHBondContact OD2-NE 3.31Å; D355-R357 IonicContact OD2-NH2 3.57Å; D355-R357 PolarHBondContact OD2-NH2 3.49Å; R357-D374 PolarHBondContact NH1-O 2.83Å
358V81.3Confident85.8Confident18 Ų1835.9 Ų35.911%0.10920%0.201CC..  trans-116.1124.5178.4176.20000107.3L349 D350 F360L349-V358 HydrophobicContact CD1-CG1 3.23Å; L349-V358 HydrophobicContact CG-CG1 4.43Å; D350-V358 VanDerWaalsContact O-CA 3.29Å; D350-V358 WeakPolarHBondContact O-CA 3.06Å; D350-V358 WeakPolarHBondContact O-CG1 3.41Å; V358-F360 HydrophobicContact CG1-CD2 4.3Å; V358-F360 HydrophobicContact CG1-CE2 3.78Å; V358-F360 HydrophobicContact CG1-CZ 4.16Å
359I87Confident86.1Confident0 Ų035.9 Ų35.90%020%0.201CC..EExtended strand (participates in β ladder)trans-111.7138.4174.5-71172.2000109.3D350 T353 F361 G371 F392 E396D350-I359 PolarHBondContact N-O 3.42Å; D350-I359 PolarHBondContact O-N 2.81Å; D350-I359 VanDerWaalsContact O-N 3.12Å; T353-I359 HydrophobicContact CG2-CB 4.03Å; T353-I359 HydrophobicContact CG2-CD1 3.56Å; T353-I359 HydrophobicContact CG2-CG1 3.67Å; I359-F361 HydrophobicContact CB-CZ 4.29Å; I359-F361 HydrophobicContact CG2-CD1 4.05Å; I359-F361 HydrophobicContact CG2-CE1 3.29Å; I359-F361 HydrophobicContact CG2-CE2 4.24Å; I359-F361 HydrophobicContact CG2-CZ 3.47Å; I359-F361 VanDerWaalsContact CG2-CZ 3.47Å; I359-G371 WeakPolarHBondContact CA-O 3.41Å; I359-F392 HydrophobicContact CD1-CE1 4Å; I359-E396 HydrophobicContact CD1-CB 3.56Å; I359-E396 HydrophobicContact CD1-CG 3.62Å
360F91Very high86.4Confident28 Ų2835 Ų3512%0.12320%0.196CC..EExtended strand (participates in β ladder)trans-107.4138.9173.6-68-93.6000109.4T117 L119 I165 L348 L349 V358 L362 A370 G371T117-F360 HydrophobicContact CG2-CB 4.21Å; T117-F360 HydrophobicContact CG2-CD2 4.44Å; L119-F360 HydrophobicContact CD1-CD1 3.74Å; L119-F360 HydrophobicContact CD1-CD2 4.5Å; L119-F360 HydrophobicContact CD1-CE1 3.74Å; L119-F360 HydrophobicContact CD1-CG 4.12Å; L119-F360 HydrophobicContact CD1-CZ 4.16Å; I165-F360 HydrophobicContact CD1-CE1 4.38Å; L348-F360 WeakPolarHBondContact O-CA 3.47Å; L349-F360 HydrophobicContact CD1-CD1 3.86Å; L349-F360 HydrophobicContact CD1-CE1 3.48Å; L349-F360 VanDerWaalsContact CD1-CE1 3.48Å; L349-F360 HydrophobicContact CD1-CE2 4.19Å; L349-F360 HydrophobicContact CD1-CG 4.4Å; L349-F360 HydrophobicContact CD1-CZ 3.65Å; V358-F360 HydrophobicContact CG1-CD2 4.3Å; V358-F360 HydrophobicContact CG1-CE2 3.78Å; V358-F360 HydrophobicContact CG1-CZ 4.16Å; F360-L362 HydrophobicContact CB-CD1 4.14Å; F360-L362 HydrophobicContact CB-CD2 3.97Å; F360-L362 HydrophobicContact CB-CG 3.87Å; F360-L362 HydrophobicContact CD1-CD2 4.15Å; F360-A370 WeakPolarHBondContact O-CA 3.44Å; F360-G371 PolarHBondContact N-O 2.96Å; F360-G371 PolarHBondContact O-N 3.49Å
361F92Very high86.7Confident15 Ų1535 Ų357%0.06620%0.196CC..EExtended strand (participates in β ladder)trans-116.5105.7168.3-45.6-70.3000107.7G347 L348 D350 I359 L369 A370 I397G347-F361 CarbonylContact C-O 3.29Å; G347-F361 WeakPolarHBondContact CA-O 3.29Å; L348-F361 HydrophobicContact CB-CB 4.3Å; L348-F361 HydrophobicContact CB-CD2 4.03Å; L348-F361 HydrophobicContact CD2-CD2 3.39Å; L348-F361 HydrophobicContact CD2-CE2 3.66Å; L348-F361 HydrophobicContact CG-CD2 4.28Å; L348-F361 PolarHBondContact N-O 3.41Å; L348-F361 PolarHBondContact O-N 2.6Å; D350-F361 HydrophobicContact CB-CE2 4.17Å; I359-F361 HydrophobicContact CB-CZ 4.29Å; I359-F361 HydrophobicContact CG2-CD1 4.05Å; I359-F361 HydrophobicContact CG2-CE1 3.29Å; I359-F361 HydrophobicContact CG2-CE2 4.24Å; I359-F361 HydrophobicContact CG2-CZ 3.47Å; I359-F361 VanDerWaalsContact CG2-CZ 3.47Å; F361-L369 CarbonylContact C-O 3.25Å; F361-L369 WeakPolarHBondContact CA-O 3.45Å; F361-A370 HydrophobicContact CD1-CB 3.73Å; F361-A370 HydrophobicContact CE1-CB 4.14Å; F361-I397 HydrophobicContact CD1-CD1 4.42Å; F361-I397 HydrophobicContact CD1-CG1 3.78Å; F361-I397 HydrophobicContact CE1-CB 4.2Å; F361-I397 HydrophobicContact CE1-CD1 4.14Å; F361-I397 HydrophobicContact CE1-CG1 3.17Å; F361-I397 HydrophobicContact CZ-CG1 3.95Å
362L95.1Very high87.2Confident0 Ų034.7 Ų34.70%019%0.194CC..EExtended strand (participates in β ladder)trans-118.1133.3-167.5-54.5177.3000110.2T117 L119 L163 I165 F360 W364 L369T117-L362 HydrophobicContact CG2-CD1 3.83Å; T117-L362 VanDerWaalsContact O-CD1 3.26Å; T117-L362 WeakPolarHBondContact O-CD1 3.09Å; L119-L362 HydrophobicContact CD1-CD1 3.83Å; L119-L362 HydrophobicContact CD1-CD2 4.5Å; L119-L362 HydrophobicContact CD2-CD1 3.66Å; L119-L362 HydrophobicContact CD2-CD2 4.23Å; L119-L362 HydrophobicContact CG-CD1 3.52Å; L163-L362 HydrophobicContact CD2-CD2 3.89Å; I165-L362 HydrophobicContact CD1-CD2 4.47Å; F360-L362 HydrophobicContact CB-CD1 4.14Å; F360-L362 HydrophobicContact CB-CD2 3.97Å; F360-L362 HydrophobicContact CB-CG 3.87Å; F360-L362 HydrophobicContact CD1-CD2 4.15Å; L362-W364 PolarHBondContact O-N 3.45Å; L362-L369 HydrophobicContact CD1-CD2 4.36Å; L362-L369 PolarHBondContact N-O 3.13Å; L362-L369 PolarHBondContact O-N 3.32Å
363P95.8Very high87.8Confident10 Ų1029.1 Ų29.17%0.06517%0.168CC..EExtended strand (participates in β ladder)trans-66.6124.3165.229-33.6000108.5L163 Q227 P343 T344 M346 Y367L163-P363 HydrophobicContact CD1-CG 3.86Å; Q227-P363 PolarHBondContact NE2-O 2.98Å; Q227-P363 PolarHBondContact OE1-O 3.19Å; P343-P363 WeakPolarHBondContact O-CB 3.4Å; P343-P363 WeakPolarHBondContact O-CG 3.48Å; T344-P363 WeakPolarHBondContact O-CB 3.42Å; M346-P363 WeakPolarHBondContact O-CD 3.38Å; P363-Y367 CarbonylContact C-O 3.58Å; P363-Y367 VanDerWaalsContact CA-O 3.29Å; P363-Y367 WeakPolarHBondContact CA-O 3.4Å
364W95.4Very high88.3Confident3 Ų332.9 Ų32.91%0.01119%0.188CC..EExtended strand (participates in β ladder)trans-143122.4176.2-179.664.9000109.2K118 E229 I336 L362 N366 Y367 L369 R576 F579 L580K118-W364 HydrophobicContact CD-CZ2 3.84Å; K118-W364 HydrophobicContact CG-CD2 4.09Å; K118-W364 HydrophobicContact CG-CG 4.21Å; K118-W364 HydrophobicContact CG-CZ2 4.31Å; E229-W364 VanDerWaalsContact OE2-CE2 3.27Å; E229-W364 WeakPolarHBondContact OE2-CZ2 3.07Å; E229-W364 PolarHBondContact OE2-NE1 3.05Å; I336-W364 HydrophobicContact CD1-CE3 3.92Å; I336-W364 HydrophobicContact CD1-CZ3 4.17Å; L362-W364 PolarHBondContact O-N 3.45Å; W364-N366 VanDerWaalsContact C-N 3.26Å; W364-N366 PolarHBondContact O-N 2.92Å; W364-Y367 PolarHBondContact N-O 2.94Å; W364-Y367 PolarHBondContact O-N 3.18Å; W364-L369 HydrophobicContact CB-CB 4.27Å; W364-L369 HydrophobicContact CD2-CD1 4.42Å; W364-L369 HydrophobicContact CE3-CD1 4.23Å; W364-R576 HydrophobicContact CH2-CB 3.97Å; W364-R576 HydrophobicContact CH2-CG 4.36Å; W364-R576 HydrophobicContact CZ2-CB 4.28Å; W364-R576 HydrophobicContact CZ2-CG 4.22Å; W364-F579 HydrophobicContact CH2-CB 3.75Å; W364-F579 HydrophobicContact CH2-CG 4.4Å; W364-F579 HydrophobicContact CZ3-CB 3.91Å; W364-L580 HydrophobicContact CE3-CD2 3.69Å; W364-L580 HydrophobicContact CH2-CD2 4.13Å; W364-L580 HydrophobicContact CZ3-CD2 3.46Å; W364-L580 VanDerWaalsContact CZ3-CD2 3.46Å; W364-L580 HydrophobicContact CZ3-CG 4.49Å
365M93.5Very high88.9Confident43 Ų4330.9 Ų30.921%0.21217%0.172CC..THydrogen-bonded Turntrans4941-176.1-58.5-167.9167.600114.7E229 Y367 I519 R576 L580E229-M365 HydrophobicContact CG-CE 3.95Å; E229-M365 VanDerWaalsContact OE2-CE 3.3Å; E229-M365 WeakPolarHBondContact OE2-CE 3.25Å; M365-Y367 WeakPolarHBondContact O-CD2 3.45Å; M365-Y367 PolarHBondContact O-N 3.36Å; M365-I519 HydrophobicContact CE-CD1 3.89Å; M365-R576 HydrophobicContact CE-CB 4.23Å; M365-R576 HydrophobicContact CE-CG 3.8Å; M365-R576 HydrophobicContact SD-CB 4.07Å; M365-R576 HydrophobicContact SD-CG 4.3Å; M365-L580 HydrophobicContact CB-CD1 3.97Å; M365-L580 HydrophobicContact CB-CD2 3.75Å; M365-L580 HydrophobicContact CG-CD2 4.32Å; M365-L580 HydrophobicContact SD-CD1 3.82Å; M365-L580 HydrophobicContact SD-CD2 4.08Å; M365-L580 HydrophobicContact SD-CG 4.29Å
366N92.7Very high89.4Confident134 Ų13434.3 Ų34.372%0.71719%0.185SC*.THydrogen-bonded Turntrans70.18.4-175.6-51.2-50.9000116.1G339 W364G339-N366 VanDerWaalsContact CA-O 3.32Å; G339-N366 WeakPolarHBondContact CA-O 3.33Å; W364-N366 VanDerWaalsContact C-N 3.26Å; W364-N366 PolarHBondContact O-N 2.92Å
367Y95.7Very high90.2Very high39 Ų3933 Ų3315%0.15317%0.168CC..EExtended strand (participates in β ladder)trans-112.7175.7172.7-65.5-87.8000111.4I336 P363 W364 M365 L413 F549 L580I336-Y367 HydrophobicContact CG2-CD1 4Å; I336-Y367 HydrophobicContact CG2-CG 3.94Å; P363-Y367 CarbonylContact C-O 3.58Å; P363-Y367 VanDerWaalsContact CA-O 3.29Å; P363-Y367 WeakPolarHBondContact CA-O 3.4Å; W364-Y367 PolarHBondContact N-O 2.94Å; W364-Y367 PolarHBondContact O-N 3.18Å; M365-Y367 WeakPolarHBondContact O-CD2 3.45Å; M365-Y367 PolarHBondContact O-N 3.36Å; Y367-L413 HydrophobicContact CD1-CD1 3.42Å; Y367-L413 VanDerWaalsContact CD1-CD1 3.42Å; Y367-L413 HydrophobicContact CE1-CD1 3.34Å; Y367-F549 AromaticContact CE2-CE1 3.77Å; Y367-F549 HydrophobicContact CE2-CE1 3.77Å; Y367-F549 HydrophobicContact CE2-CZ 4.43Å; Y367-F549 AromaticContact CZ-CE1 3.77Å; Y367-F549 AromaticContact CZ-CZ 3.98Å; Y367-F549 WeakPolarHBondContact OH-CE1 3.43Å; Y367-F549 WeakPolarHBondContact OH-CZ 3.47Å; Y367-L580 HydrophobicContact CD2-CB 4.24Å; Y367-L580 HydrophobicContact CD2-CD1 4.32Å; Y367-L580 HydrophobicContact CD2-CD2 3.9Å; Y367-L580 HydrophobicContact CD2-CG 4.38Å; Y367-L580 HydrophobicContact CE2-CB 4.16Å; Y367-L580 HydrophobicContact CE2-CD1 4.17Å
368S95.4Very high90.7Very high3 Ų337.4 Ų37.42%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-107.6109177.7-61.90000109.9L337 P338 G339 S342L337-S368 PolarHBondContact N-O 3.42Å; L337-S368 PolarHBondContact O-N 3.45Å; P338-S368 PolarHBondContact O-OG 2.92Å; P338-S368 VanDerWaalsContact O-OG 3.12Å; G339-S368 WeakPolarHBondContact CA-OG 3.18Å; G339-S368 PolarHBondContact O-OG 3.4Å; S342-S368 VanDerWaalsContact CB-OG 3.3Å; S342-S368 WeakPolarHBondContact CB-OG 3.32Å; S342-S368 PolarHBondContact N-OG 2.83Å; S342-S368 WeakPolarHBondContact OG-CB 3.34Å; S342-S368 PolarHBondContact OG-OG 2.9Å
369L96.4Very high91.2Very high0 Ų039.8 Ų39.80%021%0.208CC..EExtended strand (participates in β ladder)trans-85.4124.7172.2180159.2000109.3T117 K118 I336 F361 L362 W364 W416T117-L369 HydrophobicContact CG2-CD2 4.01Å; K118-L369 HydrophobicContact CB-CD1 4.46Å; K118-L369 HydrophobicContact CG-CD1 3.64Å; I336-L369 HydrophobicContact CD1-CB 3.67Å; I336-L369 HydrophobicContact CD1-CD1 4.4Å; I336-L369 HydrophobicContact CD1-CG 4.08Å; F361-L369 CarbonylContact C-O 3.25Å; F361-L369 WeakPolarHBondContact CA-O 3.45Å; L362-L369 HydrophobicContact CD1-CD2 4.36Å; L362-L369 PolarHBondContact N-O 3.13Å; L362-L369 PolarHBondContact O-N 3.32Å; W364-L369 HydrophobicContact CB-CB 4.27Å; W364-L369 HydrophobicContact CD2-CD1 4.42Å; W364-L369 HydrophobicContact CE3-CD1 4.23Å; L369-W416 HydrophobicContact CD1-CH2 3.83Å; L369-W416 HydrophobicContact CD1-CZ2 3.84Å; L369-W416 HydrophobicContact CG-CH2 4Å; L369-W416 HydrophobicContact CG-CZ2 4.31Å
370A94.8Very high91.4Very high2 Ų242.7 Ų42.72%0.01723%0.226CC..EExtended strand (participates in β ladder)trans-120.6137175.400000111.5H334 I335 F360 F361 I393 I397H334-A370 VanDerWaalsContact CA-O 3.27Å; H334-A370 WeakPolarHBondContact CA-O 3.35Å; I335-A370 HydrophobicContact CD1-CB 4.39Å; I335-A370 HydrophobicContact CG1-CB 3.86Å; I335-A370 PolarHBondContact N-O 2.87Å; I335-A370 PolarHBondContact O-N 2.86Å; F360-A370 WeakPolarHBondContact O-CA 3.44Å; F361-A370 HydrophobicContact CD1-CB 3.73Å; F361-A370 HydrophobicContact CE1-CB 4.14Å; A370-I393 HydrophobicContact CB-CG2 3.76Å; A370-I397 HydrophobicContact CB-CD1 3.71Å; A370-I397 HydrophobicContact CB-CG1 4.34Å
371G91.1Very high91.5Very high0 Ų044 Ų440%023%0.234CC..EExtended strand (participates in β ladder)trans166.5173.7176.700000113.3I359 F360I359-G371 WeakPolarHBondContact CA-O 3.41Å; F360-G371 PolarHBondContact N-O 2.96Å; F360-G371 PolarHBondContact O-N 3.49Å
372T86.5Confident91.5Very high24 Ų2448 Ų4815%0.14725%0.253CS..  cis-132.715617.91800000112.5G332 V333 R420G332-T372 VanDerWaalsContact CA-OG1 3.24Å; G332-T372 WeakPolarHBondContact CA-OG1 3.43Å; V333-T372 PolarHBondContact N-OG1 3.39Å; V333-T372 VanDerWaalsContact O-CA 3.3Å; V333-T372 WeakPolarHBondContact O-CA 3.45Å; V333-T372 PolarHBondContact O-OG1 2.87Å; T372-R420 PolarHBondContact OG1-NH2 2.78Å
373T86.3Confident91.4Very high2 Ų248.5 Ų48.51%0.01226%0.256CS..  trans-74.2169.716164.80000111.8G332 V333 E389 F392 I393 R420G332-T373 VanDerWaalsContact CA-O 3.27Å; G332-T373 WeakPolarHBondContact CA-O 3.49Å; V333-T373 HydrophobicContact CB-CG2 4.34Å; V333-T373 WeakPolarHBondContact CB-OG1 3.45Å; V333-T373 PolarHBondContact N-OG1 3.17Å; V333-T373 PolarHBondContact O-N 3.34Å; T373-E389 HydrophobicContact CG2-CB 3.97Å; T373-E389 HydrophobicContact CG2-CG 4.06Å; T373-E389 PolarHBondContact OG1-OE1 2.89Å; T373-E389 VanDerWaalsContact OG1-OE1 3.13Å; T373-F392 HydrophobicContact CG2-CD1 4.01Å; T373-I393 HydrophobicContact CG2-CD1 4.25Å; T373-I393 HydrophobicContact CG2-CG1 4.23Å; T373-R420 PolarHBondContact O-NH1 3.36Å; T373-R420 PolarHBondContact O-NH2 3.5Å
374D83.5Confident91.3Very high87 Ų8750.3 Ų50.347%0.46527%0.269SS..  trans-150101.4177.4-166.1-5000107.8S330 L331 R357 R420S330-D374 WeakPolarHBondContact CB-OD1 3.4Å; S330-D374 PolarHBondContact OG-OD1 3.4Å; L331-D374 WeakPolarHBondContact O-CA 3.26Å; R357-D374 PolarHBondContact NH1-O 2.83Å; D374-R420 IonicContact OD1-NH1 2.79Å
375T86.1Confident91.3Very high54 Ų5450.5 Ų50.533%0.33127%0.27SS..EExtended strand (participates in β ladder)trans-133.2141.6-177.750.30000109.6S330 L331 E389S330-T375 CarbonylContact C-O 3.56Å; S330-T375 VanDerWaalsContact CA-O 3.29Å; S330-T375 WeakPolarHBondContact CA-O 3.45Å; L331-T375 PolarHBondContact N-O 3.19Å; L331-T375 PolarHBondContact O-N 3.36Å; L331-T375 VanDerWaalsContact O-N 3.09Å; T375-E389 PolarHBondContact OG1-OE1 2.85Å
376E86.5Confident91.1Very high149 Ų14950.7 Ų50.770%0.69628%0.276SS*.EExtended strand (participates in β ladder)trans-65.2142.8173.5-174.3163.9-140.800110.1Q328Q328-E376 PolarHBondContact NE2-OE1 2.92Å
377C89Confident90.9Very high25 Ų2545.8 Ų45.817%0.16925%0.249CC..  trans-145.1162.3-176.268.60000112.8P329 L331P329-C377 WeakPolarHBondContact CG-O 3.48Å; P329-C377 PolarHBondContact O-N 3.22Å; L331-C377 HydrophobicContact CB-CB 3.89Å
378N89.4Confident90.5Very high149 Ų14947.4 Ų47.480%0.79727%0.27SS*.  trans-86.9149.2168.4-67.3-44.9000110.2T380N378-T380 PolarHBondContact O-N 3.31Å
379L91.4Very high90.4Very high69 Ų6948.2 Ų48.236%0.36127%0.274SS..  trans-62.7132.8175.5-68.9176.1000111P310 F311 P329 I419P310-L379 HydrophobicContact CB-CD2 3.44Å; P310-L379 VanDerWaalsContact CB-CD2 3.44Å; P310-L379 VanDerWaalsContact O-CD1 3.32Å; P310-L379 WeakPolarHBondContact O-CD1 3.38Å; P310-L379 WeakPolarHBondContact O-CD2 3.48Å; F311-L379 HydrophobicContact CE1-CB 4.46Å; P329-L379 HydrophobicContact CB-CD2 3.74Å; P329-L379 HydrophobicContact CB-CG 4.49Å; P329-L379 HydrophobicContact CG-CD2 3.81Å; P329-L379 HydrophobicContact CG-CG 4.03Å; L379-I419 HydrophobicContact CD2-CG2 4.48Å
380T93.1Very high90.1Very high61 Ų6148.2 Ų48.237%0.37427%0.274SS..  trans-152.9150.5175.51780000109.7N378 Q382 P383 I419N378-T380 PolarHBondContact O-N 3.31Å; T380-Q382 PolarHBondContact OG1-N 3.22Å; T380-Q382 VanDerWaalsContact OG1-N 3.15Å; T380-P383 HydrophobicContact CG2-CB 4.23Å; T380-I419 HydrophobicContact CG2-CD1 4.25Å; T380-I419 WeakPolarHBondContact O-CD1 3.16Å
381D91.6Very high89.8Confident56 Ų5650.7 Ų50.730%0.29929%0.287SS..SBendtrans-76.3-17.2173.4-66.3-15000112.2R105 F311 P383R105-D381 IonicContact CZ-OD1 2.91Å; R105-D381 IonicContact CZ-OD2 3.5Å; R105-D381 IonicContact NH1-OD1 3.63Å; R105-D381 PolarHBondContact NH1-OD1 3.49Å; R105-D381 IonicContact NH1-OD2 3.37Å; R105-D381 PolarHBondContact NH1-OD2 2.91Å; R105-D381 IonicContact NH2-OD1 3.6Å; R105-D381 PolarHBondContact NH2-OD1 3.48Å; R105-D381 IonicContact NH2-OD2 2.93Å; F311-D381 VanDerWaalsContact CE1-OD1 3.23Å; F311-D381 WeakPolarHBondContact CE1-OD1 3.24Å; F311-D381 WeakPolarHBondContact CZ-OD1 3.24Å; D381-P383 WeakPolarHBondContact O-CD 3.19Å
382Q91.7Very high89.8Confident99 Ų9952.3 Ų52.346%0.46329%0.294SS..SBendtrans-123.561.1-174-59.2177.33.700111.5T380 S384 E621T380-Q382 PolarHBondContact OG1-N 3.22Å; T380-Q382 VanDerWaalsContact OG1-N 3.15Å; Q382-S384 PolarHBondContact O-N 3.34Å; Q382-S384 PolarHBondContact O-OG 3.29Å; Q382-S384 VanDerWaalsContact O-OG 3.06Å; Q382-E621 WeakPolarHBondContact CA-OE2 3.36Å; Q382-E621 HydrophobicContact CB-CG 4.13Å
383P94.1Very high90Very high10 Ų1051.1 Ų51.17%0.06529%0.287CS..  trans-62.6125.6178.215.2-15.2000109.4R115 L331 T380 D381 A417 I419R115-P383 VanDerWaalsContact NH1-CG 3.29Å; R115-P383 PolarHBondContact NH1-O 2.97Å; L331-P383 HydrophobicContact CD1-CB 3.71Å; T380-P383 HydrophobicContact CG2-CB 4.23Å; D381-P383 WeakPolarHBondContact O-CD 3.19Å; P383-A417 HydrophobicContact CB-CB 4.24Å; P383-I419 HydrophobicContact CB-CD1 4.09Å; P383-I419 HydrophobicContact CB-CG1 3.92Å; P383-I419 HydrophobicContact CG-CD1 3.99Å; P383-I419 HydrophobicContact CG-CG1 3.97Å
384S94Very high90.2Very high47 Ų4751.7 Ų51.733%0.32929%0.289SS..  trans-120.7136.7-172.2-59.50000109.4Q382 S620Q382-S384 PolarHBondContact O-N 3.34Å; Q382-S384 PolarHBondContact O-OG 3.29Å; Q382-S384 VanDerWaalsContact O-OG 3.06Å; S384-S620 VanDerWaalsContact CB-O 3.25Å; S384-S620 WeakPolarHBondContact CB-O 3.4Å; S384-S620 PolarHBondContact OG-O 3.18Å
385P93.6Very high90.4Very high8 Ų853.3 Ų53.35%0.05229%0.294CS..  trans-70.1154.617531.9-36.2000110.8V333 S415 L626V333-P385 HydrophobicContact CG1-CB 3.79Å; V333-P385 HydrophobicContact CG2-CB 3.96Å; P385-S415 WeakPolarHBondContact CG-OG 3.1Å; P385-L626 HydrophobicContact CG-CD1 4.27Å; P385-L626 WeakPolarHBondContact O-CD2 3.33Å
386S90.7Very high90.6Very high47 Ų4751 Ų5133%0.32928%0.279SS..  trans-103.4156.3169.268.70000112.3A388 E389 V390S386-A388 VanDerWaalsContact C-N 3.27Å; S386-A388 PolarHBondContact O-N 3.33Å; S386-E389 WeakPolarHBondContact CB-OE2 3.47Å; S386-E389 PolarHBondContact N-OE2 3.12Å; S386-E389 PolarHBondContact O-N 3.38Å; S386-E389 VanDerWaalsContact OG-CG 3.23Å; S386-E389 WeakPolarHBondContact OG-CG 3.23Å; S386-E389 PolarHBondContact OG-N 3.22Å; S386-E389 PolarHBondContact OG-OE2 3.19Å; S386-V390 PolarHBondContact O-N 2.88Å; S386-V390 VanDerWaalsContact O-N 3.13Å
387E87.9Confident90.7Very high30 Ų3044.1 Ų44.114%0.1425%0.248CC..Hα-helixtrans-64.5-33.1177.4-17255.4-145.800111.9E389 V390 N391 R409 L626E387-E389 PolarHBondContact O-N 3.03Å; E387-V390 PolarHBondContact O-N 3.21Å; E387-N391 WeakPolarHBondContact O-CB 3.24Å; E387-N391 PolarHBondContact O-N 2.73Å; E387-N391 PolarHBondContact O-ND2 3.21Å; E387-N391 PolarHBondContact OE1-ND2 2.91Å; E387-N391 VanDerWaalsContact OE1-ND2 3.17Å; E387-R409 VanDerWaalsContact CD-NE 3.32Å; E387-R409 VanDerWaalsContact OE1-CD 3.24Å; E387-R409 WeakPolarHBondContact OE1-CD 3.35Å; E387-R409 IonicContact OE1-CZ 2.89Å; E387-R409 IonicContact OE1-NE 2.77Å; E387-R409 PolarHBondContact OE1-NE 2.81Å; E387-R409 IonicContact OE1-NH2 3.91Å; E387-R409 IonicContact OE2-CZ 3.83Å; E387-R409 IonicContact OE2-NE 3.31Å; E387-R409 PolarHBondContact OE2-NE 3.16Å; E387-R409 IonicContact OE2-NH2 3.46Å; E387-R409 PolarHBondContact OE2-NH2 3.36Å; E387-L626 HydrophobicContact CB-CD2 4.36Å
388A88.5Confident90.6Very high74 Ų7445.6 Ų45.661%0.61226%0.258SS*.Hα-helixtrans-62.9-40.3174.700000112.3S386 N391 F392S386-A388 VanDerWaalsContact C-N 3.27Å; S386-A388 PolarHBondContact O-N 3.33Å; A388-N391 PolarHBondContact O-N 3.21Å; A388-F392 WeakPolarHBondContact O-CB 3.43Å; A388-F392 PolarHBondContact O-N 3.09Å
389E91.2Very high90.5Very high20 Ų2042.7 Ų42.79%0.09324%0.243CC..Hα-helixtrans-69.9-38177-71.4169.6117.800112.3V333 T373 T375 S386 E387 F392 I393V333-E389 HydrophobicContact CB-CB 4.15Å; V333-E389 HydrophobicContact CG1-CB 4.24Å; V333-E389 HydrophobicContact CG2-CB 4.07Å; V333-E389 VanDerWaalsContact CG2-CD 3.42Å; V333-E389 HydrophobicContact CG2-CG 4.33Å; V333-E389 WeakPolarHBondContact CG2-OE1 3.31Å; V333-E389 WeakPolarHBondContact CG2-OE2 3.07Å; T373-E389 HydrophobicContact CG2-CB 3.97Å; T373-E389 HydrophobicContact CG2-CG 4.06Å; T373-E389 PolarHBondContact OG1-OE1 2.89Å; T373-E389 VanDerWaalsContact OG1-OE1 3.13Å; T375-E389 PolarHBondContact OG1-OE1 2.85Å; S386-E389 WeakPolarHBondContact CB-OE2 3.47Å; S386-E389 PolarHBondContact N-OE2 3.12Å; S386-E389 PolarHBondContact O-N 3.38Å; S386-E389 VanDerWaalsContact OG-CG 3.23Å; S386-E389 WeakPolarHBondContact OG-CG 3.23Å; S386-E389 PolarHBondContact OG-N 3.22Å; S386-E389 PolarHBondContact OG-OE2 3.19Å; E387-E389 PolarHBondContact O-N 3.03Å; E389-F392 PolarHBondContact O-N 3.02Å; E389-I393 WeakPolarHBondContact O-CG1 3.43Å; E389-I393 PolarHBondContact O-N 3.27Å; E389-I393 VanDerWaalsContact O-N 3.12Å
390V91.3Very high90.1Very high0 Ų041.1 Ų41.10%023%0.232CC..Hα-helixtrans-61.6-48.9173.61720000110.3I335 S386 E387 F392 I393 L394 V412 L626I335-V390 HydrophobicContact CG2-CB 4.4Å; I335-V390 HydrophobicContact CG2-CG1 4.16Å; I335-V390 HydrophobicContact CG2-CG2 3.97Å; S386-V390 PolarHBondContact O-N 2.88Å; S386-V390 VanDerWaalsContact O-N 3.13Å; E387-V390 PolarHBondContact O-N 3.21Å; V390-F392 PolarHBondContact O-N 2.8Å; V390-I393 PolarHBondContact O-N 2.6Å; V390-L394 HydrophobicContact CG1-CD1 3.89Å; V390-L394 HydrophobicContact CG1-CG 4.4Å; V390-L394 WeakPolarHBondContact O-CG 3.36Å; V390-L394 PolarHBondContact O-N 3.47Å; V390-V412 HydrophobicContact CG1-CG2 4.1Å; V390-L626 HydrophobicContact CG2-CD1 3.9Å
391N89.1Confident89.8Confident54 Ų5438.5 Ų38.529%0.28922%0.216SC..Hα-helixtrans-63.3-40.1179.2-73.2-41000112.4E387 A388 I393 L394 E395E387-N391 WeakPolarHBondContact O-CB 3.24Å; E387-N391 PolarHBondContact O-N 2.73Å; E387-N391 PolarHBondContact O-ND2 3.21Å; E387-N391 PolarHBondContact OE1-ND2 2.91Å; E387-N391 VanDerWaalsContact OE1-ND2 3.17Å; A388-N391 PolarHBondContact O-N 3.21Å; N391-I393 VanDerWaalsContact C-N 3.33Å; N391-I393 PolarHBondContact O-N 3.46Å; N391-L394 PolarHBondContact O-N 3.3Å; N391-E395 WeakPolarHBondContact O-CB 3.42Å; N391-E395 WeakPolarHBondContact O-CG 3.47Å; N391-E395 PolarHBondContact O-N 2.99Å
392F89.7Confident89.6Confident33 Ų3336.3 Ų36.315%0.14521%0.205CC..Hα-helixtrans-55.1-47.6172.2172.9-95.7000111.9D355 I359 T373 A388 E389 V390 L394 E395 E396D355-F392 WeakPolarHBondContact OD2-CZ 3.28Å; I359-F392 HydrophobicContact CD1-CE1 4Å; T373-F392 HydrophobicContact CG2-CD1 4.01Å; A388-F392 WeakPolarHBondContact O-CB 3.43Å; A388-F392 PolarHBondContact O-N 3.09Å; E389-F392 PolarHBondContact O-N 3.02Å; V390-F392 PolarHBondContact O-N 2.8Å; F392-L394 VanDerWaalsContact C-N 3.35Å; F392-L394 PolarHBondContact O-N 3.13Å; F392-E395 PolarHBondContact O-N 2.82Å; F392-E396 HydrophobicContact CE1-CG 4.04Å; F392-E396 HydrophobicContact CE2-CG 4.11Å; F392-E396 HydrophobicContact CZ-CG 3.79Å; F392-E396 WeakPolarHBondContact O-CG 3.31Å; F392-E396 PolarHBondContact O-N 3.22Å
393I91.8Very high89.2Confident0 Ų037 Ų370%022%0.218CC..Hα-helixtrans-64.8-40.7179-62164.2000110.9V333 I335 A370 T373 E389 V390 N391 E396 I397V333-I393 HydrophobicContact CB-CD1 4.45Å; V333-I393 HydrophobicContact CG1-CD1 4.06Å; I335-I393 HydrophobicContact CD1-CB 4.05Å; I335-I393 HydrophobicContact CD1-CG2 3.56Å; I335-I393 HydrophobicContact CG1-CG2 3.82Å; I335-I393 HydrophobicContact CG2-CD1 4.15Å; A370-I393 HydrophobicContact CB-CG2 3.76Å; T373-I393 HydrophobicContact CG2-CD1 4.25Å; T373-I393 HydrophobicContact CG2-CG1 4.23Å; E389-I393 WeakPolarHBondContact O-CG1 3.43Å; E389-I393 PolarHBondContact O-N 3.27Å; E389-I393 VanDerWaalsContact O-N 3.12Å; V390-I393 PolarHBondContact O-N 2.6Å; N391-I393 VanDerWaalsContact C-N 3.33Å; N391-I393 PolarHBondContact O-N 3.46Å; I393-E396 PolarHBondContact O-N 3.22Å; I393-I397 HydrophobicContact CG2-CD1 3.93Å; I393-I397 HydrophobicContact CG2-CG1 4.43Å; I393-I397 WeakPolarHBondContact O-CD1 3.41Å; I393-I397 WeakPolarHBondContact O-CG1 3.4Å; I393-I397 PolarHBondContact O-N 2.97Å
394L90.1Very high88.6Confident13 Ų1343.7 Ų43.77%0.06825%0.249CC..Hα-helixtrans-63-41.5177.6-66.2168.7000112.2I335 L337 V390 N391 F392 I397 S398 V407 R409 V412I335-L394 HydrophobicContact CD1-CD2 3.76Å; I335-L394 HydrophobicContact CD1-CG 4.13Å; L337-L394 HydrophobicContact CD2-CD2 4.18Å; V390-L394 HydrophobicContact CG1-CD1 3.89Å; V390-L394 HydrophobicContact CG1-CG 4.4Å; V390-L394 WeakPolarHBondContact O-CG 3.36Å; V390-L394 PolarHBondContact O-N 3.47Å; N391-L394 PolarHBondContact O-N 3.3Å; F392-L394 VanDerWaalsContact C-N 3.35Å; F392-L394 PolarHBondContact O-N 3.13Å; L394-I397 PolarHBondContact O-N 3.43Å; L394-S398 PolarHBondContact O-N 3.08Å; L394-V407 HydrophobicContact CD2-CG1 3.52Å; L394-R409 HydrophobicContact CD1-CB 4.2Å; L394-V412 HydrophobicContact CD1-CG2 4.07Å; L394-V412 HydrophobicContact CD2-CG2 3.75Å; L394-V412 HydrophobicContact CG-CG2 4.32Å
395E88.4Confident88.1Confident121 Ų12144 Ų4457%0.56525%0.246SC*.Hα-helixtrans-61.1-46.4175.4-74.3174.7-171.700111.1N391 F392 I397 S398 N399N391-E395 WeakPolarHBondContact O-CB 3.42Å; N391-E395 WeakPolarHBondContact O-CG 3.47Å; N391-E395 PolarHBondContact O-N 2.99Å; F392-E395 PolarHBondContact O-N 2.82Å; E395-I397 PolarHBondContact O-N 2.9Å; E395-S398 WeakPolarHBondContact O-CB 3.32Å; E395-S398 PolarHBondContact O-N 3.43Å; E395-S398 PolarHBondContact O-OG 3.25Å; E395-N399 PolarHBondContact O-N 3.32Å; E395-N399 PolarHBondContact O-ND2 3.38Å
396E89.8Confident87.3Confident5 Ų550.7 Ų50.72%0.02328%0.277CS..Hα-helixtrans-63.6-39.8177.7-67.5-61.5160.700112.6T353 S354 I359 F392 I393 S398 N399T353-E396 WeakPolarHBondContact CA-OE2 3.41Å; T353-E396 WeakPolarHBondContact CB-OE2 3.06Å; T353-E396 HydrophobicContact CG2-CG 4.27Å; S354-E396 WeakPolarHBondContact CB-OE1 3.27Å; S354-E396 PolarHBondContact N-OE1 3.14Å; S354-E396 PolarHBondContact N-OE2 3.01Å; S354-E396 PolarHBondContact OG-OE1 2.97Å; I359-E396 HydrophobicContact CD1-CB 3.56Å; I359-E396 HydrophobicContact CD1-CG 3.62Å; F392-E396 HydrophobicContact CE1-CG 4.04Å; F392-E396 HydrophobicContact CE2-CG 4.11Å; F392-E396 HydrophobicContact CZ-CG 3.79Å; F392-E396 WeakPolarHBondContact O-CG 3.31Å; F392-E396 PolarHBondContact O-N 3.22Å; I393-E396 PolarHBondContact O-N 3.22Å; E396-S398 VanDerWaalsContact C-N 3.32Å; E396-S398 PolarHBondContact O-N 3.13Å; E396-N399 PolarHBondContact O-N 2.92Å
397I88.1Confident86.9Confident5 Ų549.7 Ų49.73%0.02627%0.269CS..Hα-helixtrans-59.7-46.4173.4-65.5162.9000110.3I335 L337 F361 A370 I393 L394 E395 N399 Y400 L401 V407I335-I397 HydrophobicContact CD1-CD1 4.02Å; L337-I397 HydrophobicContact CD1-CD1 3.45Å; L337-I397 VanDerWaalsContact CD1-CD1 3.45Å; F361-I397 HydrophobicContact CD1-CD1 4.42Å; F361-I397 HydrophobicContact CD1-CG1 3.78Å; F361-I397 HydrophobicContact CE1-CB 4.2Å; F361-I397 HydrophobicContact CE1-CD1 4.14Å; F361-I397 HydrophobicContact CE1-CG1 3.17Å; F361-I397 HydrophobicContact CZ-CG1 3.95Å; A370-I397 HydrophobicContact CB-CD1 3.71Å; A370-I397 HydrophobicContact CB-CG1 4.34Å; I393-I397 HydrophobicContact CG2-CD1 3.93Å; I393-I397 HydrophobicContact CG2-CG1 4.43Å; I393-I397 WeakPolarHBondContact O-CD1 3.41Å; I393-I397 WeakPolarHBondContact O-CG1 3.4Å; I393-I397 PolarHBondContact O-N 2.97Å; L394-I397 PolarHBondContact O-N 3.43Å; E395-I397 PolarHBondContact O-N 2.9Å; I397-N399 PolarHBondContact O-N 3.05Å; I397-N399 VanDerWaalsContact O-N 3.16Å; I397-Y400 PolarHBondContact O-N 2.98Å; I397-L401 HydrophobicContact CG2-CD1 3.81Å; I397-L401 HydrophobicContact CG2-CG 4.03Å; I397-L401 PolarHBondContact O-N 3.05Å; I397-V407 HydrophobicContact CB-CG2 4.46Å; I397-V407 HydrophobicContact CG2-CG1 4.44Å; I397-V407 HydrophobicContact CG2-CG2 3.75Å
398S87.6Confident86.5Confident57 Ų5752.4 Ų52.440%0.39928%0.278SS..Hα-helixtrans-58.9-31-175.479.80000112.7L394 E395 E396 Y400 L401L394-S398 PolarHBondContact O-N 3.08Å; E395-S398 WeakPolarHBondContact O-CB 3.32Å; E395-S398 PolarHBondContact O-N 3.43Å; E395-S398 PolarHBondContact O-OG 3.25Å; E396-S398 VanDerWaalsContact C-N 3.32Å; E396-S398 PolarHBondContact O-N 3.13Å; S398-Y400 PolarHBondContact O-N 3.38Å; S398-L401 PolarHBondContact O-N 3.45Å
399N86.7Confident86.2Confident88 Ų8849.9 Ų49.947%0.47125%0.252SS..Hα-helixtrans-66.4-24.4178.8-70.6-35.8000113.8E395 E396 I397E395-N399 PolarHBondContact O-N 3.32Å; E395-N399 PolarHBondContact O-ND2 3.38Å; E396-N399 PolarHBondContact O-N 2.92Å; I397-N399 PolarHBondContact O-N 3.05Å; I397-N399 VanDerWaalsContact O-N 3.16Å
400Y82.4Confident85.7Confident35 Ų3550.1 Ų50.114%0.13726%0.26CS..Hα-helixtrans-99.6-20.9-177.9-86.4-88.5000114.4P168 Y170 K213 L348 D350 I397 S398P168-Y400 HydrophobicContact CG-CD1 4.08Å; P168-Y400 HydrophobicContact CG-CE1 3.81Å; Y170-Y400 HydrophobicContact CE2-CE1 4.12Å; K213-Y400 WeakPolarHBondContact CB-O 3.28Å; K213-Y400 PolarHBondContact N-O 2.95Å; L348-Y400 HydrophobicContact CD2-CD1 4.31Å; D350-Y400 HydrophobicContact CB-CD2 4.32Å; D350-Y400 HydrophobicContact CB-CE2 3.72Å; D350-Y400 WeakPolarHBondContact OD1-CE2 3.47Å; D350-Y400 VanDerWaalsContact OD1-CZ 3.22Å; D350-Y400 PolarHBondContact OD1-OH 3.37Å; D350-Y400 WeakPolarHBondContact OD2-CE2 3.29Å; I397-Y400 PolarHBondContact O-N 2.98Å; S398-Y400 PolarHBondContact O-N 3.38Å
401L87.7Confident85.4Confident6 Ų650.6 Ų50.63%0.03126%0.262CS..BIsolated β-bridgetrans-79.1158.3175.9-59.7-173.8000111.2F209 L211 Y341 I397 S398 I405 V407F209-L401 HydrophobicContact CE1-CD2 4.35Å; F209-L401 HydrophobicContact CE2-CD2 4.47Å; F209-L401 HydrophobicContact CZ-CD2 3.65Å; L211-L401 HydrophobicContact CB-CD2 4Å; L211-L401 CarbonylContact O-C 3.58Å; L211-L401 VanDerWaalsContact O-CA 3.29Å; L211-L401 WeakPolarHBondContact O-CA 3.44Å; Y341-L401 HydrophobicContact CD1-CD1 3.64Å; Y341-L401 HydrophobicContact CE1-CD1 3.85Å; I397-L401 HydrophobicContact CG2-CD1 3.81Å; I397-L401 HydrophobicContact CG2-CG 4.03Å; I397-L401 PolarHBondContact O-N 3.05Å; S398-L401 PolarHBondContact O-N 3.45Å; L401-I405 HydrophobicContact CB-CB 4.33Å; L401-I405 HydrophobicContact CD1-CB 4.45Å; L401-I405 HydrophobicContact CD1-CG2 3.79Å; L401-V407 HydrophobicContact CD1-CG2 3.26Å; L401-V407 HydrophobicContact CG-CG2 4.39Å
402S86.6Confident85.5Confident10 Ų1048.9 Ų48.97%0.0725%0.254CS..  trans-56.3138.9168.2-175.20000109.3L211 E404 I405L211-S402 PolarHBondContact O-N 3.05Å; S402-E404 PolarHBondContact O-N 3.17Å; S402-I405 WeakPolarHBondContact O-CB 3.3Å; S402-I405 PolarHBondContact O-N 3.25Å
403P83.2Confident85.7Confident114 Ų11449 Ų4974%0.7426%0.256SS*.THydrogen-bonded Turntrans-56-20.6177.1-26.234.7000114.8I405P403-I405 PolarHBondContact O-N 2.89Å
404E82.5Confident85.9Confident151 Ų15149.2 Ų49.271%0.70626%0.257SS*.THydrogen-bonded Turntrans-69.3-20.2175.1-60.6167.3-148.400112.8S402S402-E404 PolarHBondContact O-N 3.17Å
405I82.8Confident86.2Confident53 Ų5348.6 Ų48.627%0.27225%0.254SS..  trans-101110-176.6-55.1-61000108.9L211 Y341 L401 S402 P403L211-I405 HydrophobicContact CB-CG1 4.49Å; L211-I405 HydrophobicContact CD2-CD1 3.81Å; L211-I405 HydrophobicContact CD2-CG1 3.96Å; Y341-I405 HydrophobicContact CE1-CG2 4.12Å; L401-I405 HydrophobicContact CB-CB 4.33Å; L401-I405 HydrophobicContact CD1-CB 4.45Å; L401-I405 HydrophobicContact CD1-CG2 3.79Å; S402-I405 WeakPolarHBondContact O-CB 3.3Å; S402-I405 PolarHBondContact O-N 3.25Å; P403-I405 PolarHBondContact O-N 2.89Å
406Q77.9Confident86.6Confident149 Ų14942.9 Ų42.970%0.69623%0.227SC*.  trans-86.3118.6171.8-65.2-178.1-7.500109.3Y341 R408Y341-Q406 PolarHBondContact OH-O 2.96Å; Q406-R408 HydrophobicContact CB-CG 4.45Å
407V81.5Confident86.9Confident26 Ų2642.6 Ų42.616%0.15823%0.226CC..  trans-84.4124.3166.6-171.80000106.9Y341 L394 I397 L401Y341-V407 HydrophobicContact CD1-CG2 4.33Å; Y341-V407 HydrophobicContact CE1-CB 4.38Å; Y341-V407 HydrophobicContact CE1-CG1 4.33Å; Y341-V407 HydrophobicContact CE1-CG2 3.81Å; L394-V407 HydrophobicContact CD2-CG1 3.52Å; I397-V407 HydrophobicContact CB-CG2 4.46Å; I397-V407 HydrophobicContact CG2-CG1 4.44Å; I397-V407 HydrophobicContact CG2-CG2 3.75Å; L401-V407 HydrophobicContact CD1-CG2 3.26Å; L401-V407 HydrophobicContact CG-CG2 4.39Å
408R80.5Confident87.2Confident87 Ų8742.6 Ų42.633%0.32823%0.227SC..  trans-116.4153.6-175.9-50.6164.8-65.2-179.75.7110Q406 G410 D411 G710Q406-R408 HydrophobicContact CB-CG 4.45Å; R408-G410 PolarHBondContact O-N 3.03Å; R408-D411 WeakPolarHBondContact CA-OD2 3.21Å; R408-D411 WeakPolarHBondContact CB-OD2 3.49Å; R408-D411 IonicContact CZ-OD1 3.56Å; R408-D411 IonicContact CZ-OD2 2.66Å; R408-D411 PolarHBondContact N-OD2 2.87Å; R408-D411 IonicContact NE-OD1 3.41Å; R408-D411 PolarHBondContact NE-OD1 3.06Å; R408-D411 IonicContact NE-OD2 2.69Å; R408-D411 PolarHBondContact NE-OD2 3.16Å; R408-D411 IonicContact NH2-OD1 2.78Å; R408-D411 PolarHBondContact NH2-OD1 3Å; R408-D411 IonicContact NH2-OD2 3.58Å; R408-D411 WeakPolarHBondContact O-CB 3.28Å; R408-D411 PolarHBondContact O-N 3.44Å; R408-G710 WeakPolarHBondContact CB-O 3.18Å
409R82.5Confident87.5Confident21 Ų2140.2 Ų40.28%0.07921%0.21CC..G310 helixtrans-59.3-35.5176.7178.756.7-176.884.70.1113E387 L394 D411 V412 V628 V711E387-R409 VanDerWaalsContact CD-NE 3.32Å; E387-R409 VanDerWaalsContact OE1-CD 3.24Å; E387-R409 WeakPolarHBondContact OE1-CD 3.35Å; E387-R409 IonicContact OE1-CZ 2.89Å; E387-R409 IonicContact OE1-NE 2.77Å; E387-R409 PolarHBondContact OE1-NE 2.81Å; E387-R409 IonicContact OE1-NH2 3.91Å; E387-R409 IonicContact OE2-CZ 3.83Å; E387-R409 IonicContact OE2-NE 3.31Å; E387-R409 PolarHBondContact OE2-NE 3.16Å; E387-R409 IonicContact OE2-NH2 3.46Å; E387-R409 PolarHBondContact OE2-NH2 3.36Å; L394-R409 HydrophobicContact CD1-CB 4.2Å; R409-D411 PolarHBondContact O-N 3.26Å; R409-V412 WeakPolarHBondContact O-CB 3.45Å; R409-V412 WeakPolarHBondContact O-CG2 3.28Å; R409-V412 PolarHBondContact O-N 3.24Å; R409-V412 VanDerWaalsContact O-N 3.16Å; R409-V628 HydrophobicContact CG-CG1 4.48Å; R409-V711 HydrophobicContact CB-CG1 4.39Å; R409-V711 HydrophobicContact CB-CG2 4.37Å
410G79.6Confident87.7Confident25 Ų2538.9 Ų38.926%0.25820%0.198SC..G310 helixtrans-76.4-3.317700000114.9R408 V412 V711R408-G410 PolarHBondContact O-N 3.03Å; G410-V412 VanDerWaalsContact C-N 3.27Å; G410-V711 PolarHBondContact N-O 2.88Å
411D85.3Confident88.2Confident9 Ų938.5 Ų38.55%0.04820%0.2CC..G310 helixtrans-79.1-13.2166.8-60-49.8000111.3L337 P338 Y341 R408 R409 L413L337-D411 HydrophobicContact CD2-CB 4.01Å; L337-D411 WeakPolarHBondContact CD2-O 3.19Å; P338-D411 WeakPolarHBondContact CD-O 3.04Å; Y341-D411 HydrophobicContact CE2-CB 4.02Å; Y341-D411 PolarHBondContact OH-OD2 3.24Å; R408-D411 WeakPolarHBondContact CA-OD2 3.21Å; R408-D411 WeakPolarHBondContact CB-OD2 3.49Å; R408-D411 IonicContact CZ-OD1 3.56Å; R408-D411 IonicContact CZ-OD2 2.66Å; R408-D411 PolarHBondContact N-OD2 2.87Å; R408-D411 IonicContact NE-OD1 3.41Å; R408-D411 PolarHBondContact NE-OD1 3.06Å; R408-D411 IonicContact NE-OD2 2.69Å; R408-D411 PolarHBondContact NE-OD2 3.16Å; R408-D411 IonicContact NH2-OD1 2.78Å; R408-D411 PolarHBondContact NH2-OD1 3Å; R408-D411 IonicContact NH2-OD2 3.58Å; R408-D411 WeakPolarHBondContact O-CB 3.28Å; R408-D411 PolarHBondContact O-N 3.44Å; R409-D411 PolarHBondContact O-N 3.26Å; D411-L413 PolarHBondContact O-N 3.31Å
412V90.5Very high88.3Confident18 Ų1840.9 Ų40.911%0.10921%0.213CC..  trans-73.8114.3176.2179.80000110I335 I336 L337 V390 L394 R409 G410 S414I335-V412 HydrophobicContact CB-CG1 4.07Å; I335-V412 HydrophobicContact CD1-CG2 4.16Å; I335-V412 HydrophobicContact CG2-CG1 4.27Å; I336-V412 CarbonylContact O-C 3.55Å; I336-V412 WeakPolarHBondContact O-CA 3.42Å; L337-V412 HydrophobicContact CD2-CG2 3.91Å; V390-V412 HydrophobicContact CG1-CG2 4.1Å; L394-V412 HydrophobicContact CD1-CG2 4.07Å; L394-V412 HydrophobicContact CD2-CG2 3.75Å; L394-V412 HydrophobicContact CG-CG2 4.32Å; R409-V412 WeakPolarHBondContact O-CB 3.45Å; R409-V412 WeakPolarHBondContact O-CG2 3.28Å; R409-V412 PolarHBondContact O-N 3.24Å; R409-V412 VanDerWaalsContact O-N 3.16Å; G410-V412 VanDerWaalsContact C-N 3.27Å; V412-S414 VanDerWaalsContact CG1-O 3.26Å; V412-S414 WeakPolarHBondContact CG1-O 3.43Å
413L93.4Very high88.3Confident37 Ų3740.6 Ų40.619%0.19421%0.21CC..  trans-86.1-27-177.8-58178.6000112.7I336 Y367 D411 L580 N581 V582I336-L413 HydrophobicContact CB-CB 4.49Å; I336-L413 HydrophobicContact CG2-CB 4.16Å; I336-L413 HydrophobicContact CG2-CD1 4.14Å; I336-L413 PolarHBondContact O-N 2.85Å; Y367-L413 HydrophobicContact CD1-CD1 3.42Å; Y367-L413 VanDerWaalsContact CD1-CD1 3.42Å; Y367-L413 HydrophobicContact CE1-CD1 3.34Å; D411-L413 PolarHBondContact O-N 3.31Å; L413-L580 VanDerWaalsContact CB-O 3.22Å; L413-L580 WeakPolarHBondContact CB-O 3.43Å; L413-N581 HydrophobicContact CB-CB 4.34Å; L413-N581 WeakPolarHBondContact O-CA 3.22Å; L413-V582 WeakPolarHBondContact O-CG1 3.38Å; L413-V582 PolarHBondContact O-N 2.92Å
414S96.6Very high88.4Confident3 Ų340 Ų402%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-161.4159174.570.20000109.3I335 I336 V412 F579I335-S414 WeakPolarHBondContact CA-O 3.33Å; I336-S414 WeakPolarHBondContact CB-OG 3.47Å; I336-S414 WeakPolarHBondContact CG1-OG 3.47Å; I336-S414 PolarHBondContact N-O 2.85Å; V412-S414 VanDerWaalsContact CG1-O 3.26Å; V412-S414 WeakPolarHBondContact CG1-O 3.43Å; S414-F579 PolarHBondContact OG-O 3.49Å
415S96.6Very high88.1Confident1 Ų135.6 Ų35.61%0.00717%0.174CC..EExtended strand (participates in β ladder)trans-141.1142.9167.857.70000109.6H334 P385 M622 G623 L626H334-S415 VanDerWaalsContact O-CA 3.31Å; H334-S415 WeakPolarHBondContact O-CA 3.35Å; P385-S415 WeakPolarHBondContact CG-OG 3.1Å; S415-M622 PolarHBondContact N-O 3.03Å; S415-M622 CarbonylContact O-C 3.58Å; S415-M622 WeakPolarHBondContact O-CA 3.48Å; S415-G623 PolarHBondContact O-N 3.16Å; S415-G623 WeakPolarHBondContact OG-CA 3.48Å; S415-L626 VanDerWaalsContact OG-CD1 3.28Å; S415-L626 WeakPolarHBondContact OG-CD1 3.38Å
416W96.9Very high87.5Confident0 Ų035.6 Ų35.60%018%0.178CC..EExtended strand (participates in β ladder)trans-143.8159.5177.869.488.5000111.1V333 H334 I336 L369 F579 E621 M622V333-W416 VanDerWaalsContact CA-O 3.3Å; V333-W416 WeakPolarHBondContact CA-O 3.39Å; H334-W416 HydrophobicContact CB-CD2 4.1Å; H334-W416 HydrophobicContact CB-CE3 4.34Å; H334-W416 HydrophobicContact CB-CH2 3.62Å; H334-W416 HydrophobicContact CB-CZ2 3.34Å; H334-W416 HydrophobicContact CB-CZ3 4.06Å; H334-W416 AromaticContact CG-CZ2 3.85Å; H334-W416 PolarHBondContact N-O 3.1Å; H334-W416 AromaticContact ND1-NE1 3.59Å; H334-W416 PolarHBondContact O-N 2.94Å; I336-W416 HydrophobicContact CD1-CH2 3.55Å; I336-W416 HydrophobicContact CD1-CZ3 3.78Å; I336-W416 HydrophobicContact CG1-CH2 3.94Å; I336-W416 HydrophobicContact CG1-CZ3 3.62Å; L369-W416 HydrophobicContact CD1-CH2 3.83Å; L369-W416 HydrophobicContact CD1-CZ2 3.84Å; L369-W416 HydrophobicContact CG-CH2 4Å; L369-W416 HydrophobicContact CG-CZ2 4.31Å; W416-F579 HydrophobicContact CB-CE1 4.19Å; W416-F579 AromaticContact CD1-CE1 3.64Å; W416-F579 AromaticContact CD2-CD1 3.49Å; W416-F579 HydrophobicContact CD2-CD1 3.49Å; W416-F579 VanDerWaalsContact CD2-CD1 3.49Å; W416-F579 AromaticContact CD2-CE1 3.7Å; W416-F579 HydrophobicContact CD2-CE1 3.7Å; W416-F579 AromaticContact CE2-CD1 3.67Å; W416-F579 AromaticContact CE2-CE1 3.83Å; W416-F579 AromaticContact CE3-CD1 3.87Å; W416-F579 HydrophobicContact CE3-CD1 3.87Å; W416-F579 HydrophobicContact CE3-CE1 4.48Å; W416-F579 AromaticContact CG-CD1 3.84Å; W416-F579 HydrophobicContact CG-CD1 3.84Å; W416-F579 AromaticContact CG-CE1 3.54Å; W416-F579 HydrophobicContact CG-CE1 3.54Å; W416-F579 HydrophobicContact CH2-CD1 4.49Å; W416-F579 HydrophobicContact CZ2-CD1 4.15Å; W416-F579 HydrophobicContact CZ3-CD1 4.4Å; W416-F579 AromaticContact NE1-CE1 3.82Å; W416-E621 WeakPolarHBondContact CA-O 3.43Å; W416-M622 HydrophobicContact CB-CE 3.93Å
417A95.5Very high87.2Confident0 Ų033.7 Ų33.70%017%0.172CC..EExtended strand (participates in β ladder)trans-122.4135.817800000111.3R115 L331 G332 V333 P383R115-A417 WeakPolarHBondContact CD-O 3.35Å; R115-A417 PolarHBondContact NH1-O 3.18Å; L331-A417 HydrophobicContact CD1-CB 3.71Å; L331-A417 HydrophobicContact CD2-CB 4.08Å; L331-A417 HydrophobicContact CG-CB 3.89Å; G332-A417 CarbonylContact O-C 3.52Å; G332-A417 WeakPolarHBondContact O-CA 3.15Å; V333-A417 HydrophobicContact CG2-CB 3.87Å; P383-A417 HydrophobicContact CB-CB 4.24Å
418G94.3Very high86.6Confident4 Ų434.2 Ų34.24%0.04118%0.177CC..EExtended strand (participates in β ladder)trans-118140.717400000112.4G332G332-G418 PolarHBondContact N-O 3.2Å; G332-G418 PolarHBondContact O-N 2.9Å
419I94.8Very high85.5Confident7 Ų736.2 Ų36.24%0.03620%0.204CC..EExtended strand (participates in β ladder)trans-91.5125.5176.9-58.1172.4000109.8T112 P310 P329 S330 L331 L379 T380 P383T112-I419 WeakPolarHBondContact CB-O 3.3Å; T112-I419 WeakPolarHBondContact CG2-O 3.4Å; T112-I419 PolarHBondContact OG1-O 2.72Å; P310-I419 HydrophobicContact CB-CB 4.44Å; P310-I419 HydrophobicContact CB-CG2 3.71Å; P310-I419 HydrophobicContact CG-CB 4Å; P310-I419 HydrophobicContact CG-CG2 3.64Å; P329-I419 HydrophobicContact CB-CG2 3.51Å; S330-I419 CarbonylContact O-C 3.54Å; S330-I419 WeakPolarHBondContact O-CA 3.27Å; L331-I419 HydrophobicContact CD1-CG1 4.01Å; L379-I419 HydrophobicContact CD2-CG2 4.48Å; T380-I419 HydrophobicContact CG2-CD1 4.25Å; T380-I419 WeakPolarHBondContact O-CD1 3.16Å; P383-I419 HydrophobicContact CB-CD1 4.09Å; P383-I419 HydrophobicContact CB-CG1 3.92Å; P383-I419 HydrophobicContact CG-CD1 3.99Å; P383-I419 HydrophobicContact CG-CG1 3.97Å
420R91.4Very high84.4Confident60 Ų6039.3 Ų39.323%0.22622%0.223CC..EExtended strand (participates in β ladder)trans-89.2123.7174.3-61.8-176.917994.814.7110.1P329 S330 L331 G332 T372 T373 D374 L422P329-R420 WeakPolarHBondContact CA-O 3.49Å; S330-R420 PolarHBondContact N-O 3.41Å; S330-R420 VanDerWaalsContact N-O 3.17Å; S330-R420 PolarHBondContact O-N 3.02Å; L331-R420 PolarHBondContact O-NH1 3.3Å; G332-R420 VanDerWaalsContact CA-NH1 3.34Å; T372-R420 PolarHBondContact OG1-NH2 2.78Å; T373-R420 PolarHBondContact O-NH1 3.36Å; T373-R420 PolarHBondContact O-NH2 3.5Å; D374-R420 IonicContact OD1-NH1 2.79Å; R420-L422 VanDerWaalsContact C-N 3.31Å; R420-L422 HydrophobicContact CB-CD2 4.4Å; R420-L422 HydrophobicContact CB-CG 4.47Å; R420-L422 PolarHBondContact O-N 2.88Å
421P91.4Very high83.1Confident27 Ų2742.9 Ų42.918%0.17524%0.24CC..EExtended strand (participates in β ladder)trans-81.278.2174.432.7-33.4000109.8P310P310-P421 HydrophobicContact CG-CB 4.07Å
422L89.6Confident81.4Confident57 Ų5750.6 Ų50.630%0.29828%0.275SS..EExtended strand (participates in β ladder)trans-71.8138.8168-48.4176.2000107.8C327 Q328 R420 I434C327-L422 CarbonylContact C-O 3.6Å; C327-L422 WeakPolarHBondContact CA-O 3.31Å; Q328-L422 PolarHBondContact N-O 3.35Å; Q328-L422 VanDerWaalsContact O-CB 3.27Å; Q328-L422 WeakPolarHBondContact O-CB 3.34Å; R420-L422 VanDerWaalsContact C-N 3.31Å; R420-L422 HydrophobicContact CB-CD2 4.4Å; R420-L422 HydrophobicContact CB-CG 4.47Å; R420-L422 PolarHBondContact O-N 2.88Å; L422-I434 HydrophobicContact CB-CD1 4.21Å; L422-I434 HydrophobicContact CB-CG2 3.95Å; L422-I434 HydrophobicContact CD1-CD1 4.04Å
423V88.1Confident79.9Confident3 Ų352 Ų522%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-130.4138.2-170.5-179.40000110.9I326 I434 A435 I439 A451I326-V423 HydrophobicContact CB-CG1 4.13Å; I326-V423 HydrophobicContact CD1-CG1 3.97Å; I326-V423 HydrophobicContact CG1-CG1 4.32Å; I326-V423 CarbonylContact O-C 3.56Å; I326-V423 WeakPolarHBondContact O-CA 3.41Å; V423-I434 CarbonylContact O-C 3.53Å; V423-A435 WeakPolarHBondContact O-CB 3.5Å; V423-A435 PolarHBondContact O-N 3.49Å; V423-I439 HydrophobicContact CG1-CD1 3.5Å; V423-I439 HydrophobicContact CG1-CG1 3.85Å; V423-A451 HydrophobicContact CG1-CB 4.21Å; V423-A451 HydrophobicContact CG2-CB 3.84Å
424R83.8Confident78.5Confident103 Ų10353.5 Ų53.539%0.38929%0.294SS..BIsolated β-bridgetrans-90.9135.4167-63.6177-174.2178.65.3108.9I326 P426 T431I326-R424 PolarHBondContact O-N 2.91Å; R424-P426 VanDerWaalsContact O-CD 3.29Å; R424-P426 WeakPolarHBondContact O-CD 3.08Å; R424-T431 WeakPolarHBondContact CD-O 3.17Å
425D76.6Confident77Confident57 Ų5754.7 Ų54.731%0.30530%0.303SS..  trans-74.1116.1173.7-176.5-7.5000109.2N427 S428 I439D425-N427 PolarHBondContact O-N 2.8Å; D425-N427 VanDerWaalsContact O-N 3.14Å; D425-N427 WeakPolarHBondContact OD1-CB 3.3Å; D425-N427 PolarHBondContact OD1-N 2.94Å; D425-S428 PolarHBondContact O-N 3.18Å; D425-S428 VanDerWaalsContact O-N 3.12Å; D425-I439 HydrophobicContact CB-CG2 4.22Å
426P70.8Confident75.7Confident53 Ų5361.5 Ų61.534%0.34433%0.329SS..THydrogen-bonded Turntrans-64.7-15.3179.228.3-35.5000113.2I326 R424 I439I326-P426 HydrophobicContact CG2-CB 3.97Å; I326-P426 HydrophobicContact CG2-CG 4.09Å; R424-P426 VanDerWaalsContact O-CD 3.29Å; R424-P426 WeakPolarHBondContact O-CD 3.08Å; P426-I439 HydrophobicContact CG-CD1 4.38Å
427N71.3Confident74.9Confident109 Ų10962.9 Ų62.958%0.58334%0.336SS*.THydrogen-bonded Turntrans-98.4-4.5178.1-57.5-64.3000113.3D425D425-N427 PolarHBondContact O-N 2.8Å; D425-N427 VanDerWaalsContact O-N 3.14Å; D425-N427 WeakPolarHBondContact OD1-CB 3.3Å; D425-N427 PolarHBondContact OD1-N 2.94Å
428S69.3Low74.7Confident37 Ų3764 Ų6426%0.25934%0.342SS..  trans-76.9140.3175.9-179.80000110.9D425 D430D425-S428 PolarHBondContact O-N 3.18Å; D425-S428 VanDerWaalsContact O-N 3.12Å; S428-D430 VanDerWaalsContact C-N 3.25Å; S428-D430 PolarHBondContact OG-N 3.2Å; S428-D430 VanDerWaalsContact OG-N 3.14Å; S428-D430 PolarHBondContact OG-O 3.18Å
429S56.5Low74.6Confident129 Ų12964.6 Ų64.690%0.90234%0.343SS*.SBendtrans-71.3-21.7170.151.40000112.8
430D61.2Low74.7Confident86 Ų8666.4 Ų66.446%0.4635%0.353SS..  trans-97.191.7176.7-176.8-1.9000110.4S428 Q432 S433S428-D430 VanDerWaalsContact C-N 3.25Å; S428-D430 PolarHBondContact OG-N 3.2Å; S428-D430 VanDerWaalsContact OG-N 3.14Å; S428-D430 PolarHBondContact OG-O 3.18Å; D430-Q432 PolarHBondContact O-N 3.39Å; D430-Q432 PolarHBondContact OD1-N 2.81Å; D430-Q432 VanDerWaalsContact OD1-N 3.11Å; D430-S433 PolarHBondContact O-N 2.94Å; D430-S433 PolarHBondContact O-OG 3.47Å; D430-S433 PolarHBondContact OD1-N 3.39Å
431T51.1Low74.9Confident101 Ų10164.8 Ų64.862%0.6235%0.349SS*.THydrogen-bonded Turntrans-69.7-9.4-178.356.90000114.1R424R424-T431 WeakPolarHBondContact CD-O 3.17Å
432Q50.4Low75.1Confident170 Ų17065.1 Ų65.179%0.79435%0.35SS*.THydrogen-bonded Turntrans-91.6-19.9174.3-65.1-146.2-20.200113D430 I434D430-Q432 PolarHBondContact O-N 3.39Å; D430-Q432 PolarHBondContact OD1-N 2.81Å; D430-Q432 VanDerWaalsContact OD1-N 3.11Å; Q432-I434 PolarHBondContact O-N 3.29Å
433S58.6Low75.4Confident48 Ų4862.8 Ų62.834%0.33634%0.339SS..PPolyproline II helixtrans-76.3119.8-178.668.70000112.2D430D430-S433 PolarHBondContact O-N 2.94Å; D430-S433 PolarHBondContact O-OG 3.47Å; D430-S433 PolarHBondContact OD1-N 3.39Å
434I64.5Low75.6Confident69 Ų6967.2 Ų67.235%0.35437%0.368SS..BIsolated β-bridgetrans-73.3130169.5-63.1174.6000108.3L422 V423 Q432 R436L422-I434 HydrophobicContact CB-CD1 4.21Å; L422-I434 HydrophobicContact CB-CG2 3.95Å; L422-I434 HydrophobicContact CD1-CD1 4.04Å; V423-I434 CarbonylContact O-C 3.53Å; Q432-I434 PolarHBondContact O-N 3.29Å; I434-R436 PolarHBondContact O-N 3.29Å
435A64.9Low76.1Confident27 Ų2762.5 Ų62.522%0.22335%0.35CS..PPolyproline II helixtrans-56.7120.9172.100000109.1V423 N437 I439V423-A435 WeakPolarHBondContact O-CB 3.5Å; V423-A435 PolarHBondContact O-N 3.49Å; A435-N437 PolarHBondContact O-N 3.16Å; A435-I439 HydrophobicContact CB-CG2 3.98Å
436R68.7Low77Confident144 Ų14463 Ų6354%0.54335%0.35SS..SBendtrans-74-13.6-178.4-59.7-174.5-162.3-1719.7112.9M141 I434M141-R436 HydrophobicContact CE-CB 4.38Å; M141-R436 HydrophobicContact SD-CB 4.35Å; I434-R436 PolarHBondContact O-N 3.29Å
437N79.5Confident78.3Confident29 Ų2960.6 Ų60.616%0.15533%0.334CS..SBendtrans-123.1-160.5179.9-103.1-0.8000109.9M141 A435 G453M141-N437 WeakPolarHBondContact CG-ND2 3.34Å; M141-N437 HydrophobicContact SD-CB 4.31Å; M141-N437 PolarHBondContact SD-OD1 3.23Å; A435-N437 PolarHBondContact O-N 3.16Å; N437-G453 PolarHBondContact O-N 2.94Å
438H91.2Very high79.6Confident25 Ų2555.4 Ų55.412%0.11631%0.306CS..EExtended strand (participates in β ladder)trans-86.4163.3167.561.5-71.5000112.5I450 A451 M461 E464H438-I450 HydrophobicContact CB-CD1 3.8Å; H438-I450 VanDerWaalsContact CD2-CD1 3.47Å; H438-I450 WeakPolarHBondContact CD2-CD1 3.36Å; H438-A451 CarbonylContact C-O 3.28Å; H438-A451 VanDerWaalsContact CA-O 3.24Å; H438-A451 WeakPolarHBondContact CA-O 3.47Å; H438-A451 WeakPolarHBondContact CB-O 3.48Å; H438-M461 HydrophobicContact CB-CG 4.09Å; H438-M461 HydrophobicContact CB-SD 3.54Å; H438-M461 VanDerWaalsContact CB-SD 3.54Å; H438-E464 IonicContact CD2-OE2 2.64Å; H438-E464 IonicContact CE1-OE2 2.97Å; H438-E464 PolarHBondContact CE1-OE2 2.95Å; H438-E464 IonicContact NE2-OE2 3.92Å; H438-E464 PolarHBondContact NE2-OE2 3.39Å
439I93.6Very high81Confident15 Ų1553.8 Ų53.88%0.07730%0.295CS..EExtended strand (participates in β ladder)trans-121.7147.6167.965.1167.3000110I326 V423 D425 P426 A435 I450 A451I326-I439 HydrophobicContact CD1-CD1 3.84Å; V423-I439 HydrophobicContact CG1-CD1 3.5Å; V423-I439 HydrophobicContact CG1-CG1 3.85Å; D425-I439 HydrophobicContact CB-CG2 4.22Å; P426-I439 HydrophobicContact CG-CD1 4.38Å; A435-I439 HydrophobicContact CB-CG2 3.98Å; I439-I450 WeakPolarHBondContact O-CA 3.36Å; I439-I450 WeakPolarHBondContact O-CD1 3.24Å; I439-A451 HydrophobicContact CG1-CB 4.21Å; I439-A451 PolarHBondContact N-O 3.43Å; I439-A451 PolarHBondContact O-N 2.89Å; I439-A451 VanDerWaalsContact O-N 3.11Å
440I96Very high83Confident46 Ų4647.8 Ų47.824%0.23625%0.253CS..EExtended strand (participates in β ladder)trans-118.4101.7169.5-61.3165.8000107.5I448 T449 I450 E464 K468I440-I448 HydrophobicContact CG2-CG2 3.86Å; I440-T449 CarbonylContact C-O 3.36Å; I440-T449 VanDerWaalsContact CA-O 3.32Å; I440-T449 WeakPolarHBondContact CA-O 3.39Å; I440-I450 HydrophobicContact CD1-CD1 4.46Å; I440-I450 HydrophobicContact CG1-CD1 3.72Å; I440-E464 HydrophobicContact CD1-CB 3.67Å; I440-K468 HydrophobicContact CG2-CB 4.21Å; I440-K468 HydrophobicContact CG2-CG 3.93Å
441D95.3Very high84.6Confident26 Ų2643.8 Ų43.814%0.13923%0.231CC..EExtended strand (participates in β ladder)trans-94.4140.9177.5-175.738.4000110.2R316 I448 T449R316-D441 IonicContact NE-OD2 3.09Å; R316-D441 IonicContact NH2-OD2 2.7Å; R316-D441 PolarHBondContact NH2-OD2 2.93Å; D441-I448 CarbonylContact O-C 3.59Å; D441-I448 WeakPolarHBondContact O-CA 3.22Å; D441-T449 PolarHBondContact N-O 3.45Å; D441-T449 PolarHBondContact O-N 3.34Å
442V96.5Very high86.5Confident33 Ų3339.5 Ų39.520%0.221%0.207CC..EExtended strand (participates in β ladder)trans-124.6111.9177.5-1780000107.8L447 I448 K468 V472V442-L447 WeakPolarHBondContact CA-O 3.47Å; V442-I448 HydrophobicContact CG2-CG1 4.24Å; V442-K468 HydrophobicContact CG2-CD 4.43Å; V442-K468 VanDerWaalsContact CG2-CE 3.5Å; V442-K468 HydrophobicContact CG2-CG 4.03Å; V442-V472 HydrophobicContact CG1-CG1 3.79Å; V442-V472 HydrophobicContact CG1-CG2 4.18Å; V442-V472 HydrophobicContact CG2-CG2 4.22Å
443S94.9Very high88.4Confident9 Ų932.9 Ų32.96%0.06319%0.185CC..  trans-70.9161.9-18081.40000111.6D319 S445 K446 L447D319-S443 WeakPolarHBondContact OD2-CB 3.1Å; D319-S443 PolarHBondContact OD2-OG 3.14Å; S443-S445 PolarHBondContact O-N 3.27Å; S443-S445 VanDerWaalsContact O-N 3.16Å; S443-S445 PolarHBondContact OG-N 3.02Å; S443-S445 PolarHBondContact OG-OG 2.83Å; S443-K446 WeakPolarHBondContact O-CA 3.45Å; S443-K446 PolarHBondContact O-N 3.04Å; S443-L447 PolarHBondContact N-O 3.33Å; S443-L447 WeakPolarHBondContact OG-CB 3.47Å; S443-L447 PolarHBondContact OG-N 3.36Å; S443-L447 VanDerWaalsContact OG-N 3.1Å
444P93.1Very high89.9Confident96 Ų9632.4 Ų32.462%0.62318%0.176SC*.THydrogen-bonded Turntrans-57-28.2175.6-27.136.2000114.2V280 K446V280-P444 HydrophobicContact CG1-CB 4.21Å; P444-K446 PolarHBondContact O-N 3.41Å
445S94.8Very high91.3Very high3 Ų330.8 Ų30.82%0.02117%0.166CC..THydrogen-bonded Turntrans-843.9175.8640000113.1P281 T282 V283 D319 S443P281-S445 WeakPolarHBondContact O-CA 3.39Å; P281-S445 WeakPolarHBondContact O-CB 3.5Å; T282-S445 CarbonylContact C-O 3.25Å; T282-S445 WeakPolarHBondContact CA-O 3.32Å; V283-S445 PolarHBondContact N-O 3.06Å; D319-S445 WeakPolarHBondContact OD1-CB 3.36Å; D319-S445 PolarHBondContact OD1-OG 3.48Å; D319-S445 PolarHBondContact OD2-OG 3.29Å; S443-S445 PolarHBondContact O-N 3.27Å; S443-S445 VanDerWaalsContact O-N 3.16Å; S443-S445 PolarHBondContact OG-N 3.02Å; S443-S445 PolarHBondContact OG-OG 2.83Å
446K95.4Very high92.7Very high69 Ų6929.7 Ų29.730%0.316%0.157SC..  trans69.424.3-176.9-52.1-175.5174.1-164.80115.6T282 S443 P444 I448 V472T282-K446 HydrophobicContact CG2-CD 4.39Å; S443-K446 WeakPolarHBondContact O-CA 3.45Å; S443-K446 PolarHBondContact O-N 3.04Å; P444-K446 PolarHBondContact O-N 3.41Å; K446-I448 PolarHBondContact O-N 3.42Å; K446-V472 HydrophobicContact CB-CG1 4.01Å; K446-V472 HydrophobicContact CD-CG1 4.1Å; K446-V472 HydrophobicContact CG-CG1 4.03Å; K446-V472 PolarHBondContact NZ-O 3.01Å
447L97.9Very high94Very high1 Ų123 Ų231%0.00513%0.132CC..  trans-68.5126.7162.2-178.667.6000108.5V283 V304 N306 I315 D319 V442 S443V283-L447 HydrophobicContact CG2-CB 4.18Å; V304-L447 HydrophobicContact CB-CD1 4.02Å; V304-L447 HydrophobicContact CG1-CD1 3.76Å; N306-L447 HydrophobicContact CB-CD1 4.43Å; I315-L447 HydrophobicContact CG2-CD2 4.26Å; D319-L447 HydrophobicContact CB-CD2 3.67Å; V442-L447 WeakPolarHBondContact CA-O 3.47Å; S443-L447 PolarHBondContact N-O 3.33Å; S443-L447 WeakPolarHBondContact OG-CB 3.47Å; S443-L447 PolarHBondContact OG-N 3.36Å; S443-L447 VanDerWaalsContact OG-N 3.1Å
448I98.5Very high94.8Very high0 Ų021.9 Ų21.90%013%0.125CC..EExtended strand (participates in β ladder)trans-99.3125.3175.5-58.1-175.7000108.3V304 I305 N306 I440 D441 V442 K446 T465 A469 V472V304-I448 PolarHBondContact O-N 3.24Å; V304-I448 VanDerWaalsContact O-N 3.14Å; I305-I448 CarbonylContact C-O 3.58Å; I305-I448 VanDerWaalsContact CA-O 3.31Å; I305-I448 WeakPolarHBondContact CA-O 3.33Å; I305-I448 HydrophobicContact CG1-CB 4.31Å; N306-I448 PolarHBondContact N-O 3.34Å; I440-I448 HydrophobicContact CG2-CG2 3.86Å; D441-I448 CarbonylContact O-C 3.59Å; D441-I448 WeakPolarHBondContact O-CA 3.22Å; V442-I448 HydrophobicContact CG2-CG1 4.24Å; K446-I448 PolarHBondContact O-N 3.42Å; I448-T465 HydrophobicContact CG2-CG2 4.12Å; I448-A469 HydrophobicContact CD1-CB 3.74Å; I448-V472 HydrophobicContact CD1-CB 4.26Å; I448-V472 HydrophobicContact CD1-CG1 4.46Å
449T98.4Very high95.1Very high3 Ų321.3 Ų21.32%0.01812%0.122CC..EExtended strand (participates in β ladder)trans-115.5123176.8-64.30000110.4N306 T312 R316 I440 D441 A451N306-T449 HydrophobicContact CB-CG2 4.37Å; N306-T449 WeakPolarHBondContact ND2-CG2 2.94Å; N306-T449 PolarHBondContact ND2-OG1 3.32Å; T312-T449 WeakPolarHBondContact OG1-CG2 3.44Å; R316-T449 HydrophobicContact CG-CG2 4.23Å; I440-T449 CarbonylContact C-O 3.36Å; I440-T449 VanDerWaalsContact CA-O 3.32Å; I440-T449 WeakPolarHBondContact CA-O 3.39Å; D441-T449 PolarHBondContact N-O 3.45Å; D441-T449 PolarHBondContact O-N 3.34Å; T449-A451 HydrophobicContact CG2-CB 4.3Å
450I97.8Very high95.3Very high4 Ų420.9 Ų20.92%0.02112%0.12CC..EExtended strand (participates in β ladder)trans-103.2121.3168.1174.964.6000108.5T85 I305 N306 A307 H438 I439 I440 M461 T465T85-I450 HydrophobicContact CG2-CB 4.43Å; T85-I450 HydrophobicContact CG2-CG1 3.6Å; T85-I450 HydrophobicContact CG2-CG2 3.87Å; I305-I450 HydrophobicContact CG2-CG2 4.12Å; N306-I450 WeakPolarHBondContact O-CG2 3.12Å; N306-I450 PolarHBondContact O-N 3.02Å; A307-I450 HydrophobicContact CB-CG2 3.67Å; H438-I450 HydrophobicContact CB-CD1 3.8Å; H438-I450 VanDerWaalsContact CD2-CD1 3.47Å; H438-I450 WeakPolarHBondContact CD2-CD1 3.36Å; I439-I450 WeakPolarHBondContact O-CA 3.36Å; I439-I450 WeakPolarHBondContact O-CD1 3.24Å; I440-I450 HydrophobicContact CD1-CD1 4.46Å; I440-I450 HydrophobicContact CG1-CD1 3.72Å; I450-M461 HydrophobicContact CD1-CB 4.28Å; I450-T465 HydrophobicContact CB-CG2 4.16Å; I450-T465 HydrophobicContact CG2-CG2 4.15Å
451A95.4Very high95.3Very high2 Ų218.8 Ų18.82%0.01711%0.11CC..EExtended strand (participates in β ladder)trans-140148.7-177.300000111.9T312 I326 V423 H438 I439 T449T312-A451 HydrophobicContact CG2-CB 4.21Å; I326-A451 HydrophobicContact CD1-CB 4.05Å; V423-A451 HydrophobicContact CG1-CB 4.21Å; V423-A451 HydrophobicContact CG2-CB 3.84Å; H438-A451 CarbonylContact C-O 3.28Å; H438-A451 VanDerWaalsContact CA-O 3.24Å; H438-A451 WeakPolarHBondContact CA-O 3.47Å; H438-A451 WeakPolarHBondContact CB-O 3.48Å; I439-A451 HydrophobicContact CG1-CB 4.21Å; I439-A451 PolarHBondContact N-O 3.43Å; I439-A451 PolarHBondContact O-N 2.89Å; I439-A451 VanDerWaalsContact O-N 3.11Å; T449-A451 HydrophobicContact CG2-CB 4.3Å
452G92.1Very high95.5Very high11 Ų1117.6 Ų17.611%0.11310%0.103CC..EExtended strand (participates in β ladder)trans80.1-153.3-178.200000113.2
453G89.2Confident95.6Very high31 Ų3118.7 Ų18.732%0.3211%0.107SC..  trans75.1-171.3-17700000114.7N437N437-G453 PolarHBondContact O-N 2.94Å
454K90.2Very high95.7Very high37 Ų3722 Ų2216%0.16112%0.121CC..  trans-117.8152-172.8-65169-171.8149.90110.5Y126 T456 T457 M461Y126-K454 VanDerWaalsContact CE2-CE 3.42Å; Y126-K454 VanDerWaalsContact CZ-NZ 3.27Å; Y126-K454 WeakPolarHBondContact OH-CE 3.48Å; Y126-K454 PolarHBondContact OH-NZ 3.44Å; K454-T456 VanDerWaalsContact C-N 3.26Å; K454-T456 PolarHBondContact O-N 3.3Å; K454-T457 PolarHBondContact O-N 2.85Å; K454-T457 VanDerWaalsContact O-N 3.11Å; K454-T457 PolarHBondContact O-OG1 3.4Å; K454-M461 WeakPolarHBondContact O-CE 3.32Å
455W94Very high96Very high36 Ų3617.5 Ų17.514%0.1369%0.091CC..G310 helixtrans-53.4-46.5172.4-158.1110.6000111A84 S113 L152 M233 I237 T457 Y458A84-W455 HydrophobicContact CB-CD2 4.36Å; A84-W455 HydrophobicContact CB-CG 4.48Å; A84-W455 HydrophobicContact CB-CZ2 4.11Å; S113-W455 PolarHBondContact O-NE1 2.95Å; L152-W455 HydrophobicContact CD1-CE3 4.17Å; L152-W455 HydrophobicContact CD1-CZ3 3.69Å; L152-W455 HydrophobicContact CD2-CH2 4.18Å; L152-W455 HydrophobicContact CD2-CZ3 3.71Å; L152-W455 HydrophobicContact CG-CZ3 4.36Å; M233-W455 HydrophobicContact CB-CH2 3.86Å; M233-W455 HydrophobicContact CB-CZ2 4.01Å; M233-W455 HydrophobicContact CG-CH2 3.27Å; M233-W455 HydrophobicContact CG-CZ2 3.92Å; M233-W455 HydrophobicContact CG-CZ3 4.2Å; I237-W455 HydrophobicContact CD1-CH2 4.33Å; W455-T457 PolarHBondContact O-N 2.72Å; W455-T457 VanDerWaalsContact O-N 3.14Å; W455-Y458 HydrophobicContact CZ3-CD1 4.24Å; W455-Y458 WeakPolarHBondContact O-CB 3.28Å; W455-Y458 PolarHBondContact O-N 2.97Å; W455-Y458 VanDerWaalsContact O-N 3.15Å
456T94.7Very high96.2Very high4 Ų417.4 Ų17.43%0.0259%0.091CC..G310 helixtrans-52.3-37.9178.4-54.50000113.6I120 H121 A145 E148 R149 L152 K454I120-T456 HydrophobicContact CG2-CG2 3.51Å; H121-T456 PolarHBondContact N-OG1 3.49Å; H121-T456 PolarHBondContact O-OG1 3.32Å; A145-T456 WeakPolarHBondContact O-CG2 3.41Å; E148-T456 HydrophobicContact CB-CG2 4.19Å; E148-T456 VanDerWaalsContact CB-O 3.24Å; E148-T456 WeakPolarHBondContact CB-O 3.43Å; R149-T456 HydrophobicContact CB-CG2 4.1Å; L152-T456 WeakPolarHBondContact CD1-O 3.38Å; K454-T456 VanDerWaalsContact C-N 3.26Å; K454-T456 PolarHBondContact O-N 3.3Å
457T94.7Very high96.3Very high4 Ų416.9 Ų16.93%0.0259%0.091CC..G310 helixtrans-97.715.6-173.156.90000112.8E144 E148 K454 W455 R459 S460 M461E144-T457 HydrophobicContact CG-CG2 4.38Å; E148-T457 HydrophobicContact CG-CG2 4.37Å; K454-T457 PolarHBondContact O-N 2.85Å; K454-T457 VanDerWaalsContact O-N 3.11Å; K454-T457 PolarHBondContact O-OG1 3.4Å; W455-T457 PolarHBondContact O-N 2.72Å; W455-T457 VanDerWaalsContact O-N 3.14Å; T457-R459 PolarHBondContact O-N 2.68Å; T457-R459 VanDerWaalsContact O-N 3.08Å; T457-S460 PolarHBondContact O-N 2.89Å; T457-S460 PolarHBondContact O-OG 3.39Å; T457-M461 VanDerWaalsContact O-CG 3.32Å; T457-M461 WeakPolarHBondContact O-CG 3.26Å; T457-M461 PolarHBondContact O-N 3.38Å
458Y97.1Very high96.4Very high5 Ų520.5 Ų20.52%0.0211%0.107CC..Hα-helixtrans-52.2-37.3-177.385.6-77000113.1A84 L152 I237 W455 A462A84-Y458 WeakPolarHBondContact O-CD2 3.29Å; L152-Y458 HydrophobicContact CD1-CD1 4.48Å; L152-Y458 HydrophobicContact CD1-CE1 4.33Å; L152-Y458 HydrophobicContact CD2-CD1 4.35Å; L152-Y458 HydrophobicContact CD2-CE1 3.56Å; L152-Y458 HydrophobicContact CG-CE1 4.05Å; I237-Y458 HydrophobicContact CD1-CD2 3.98Å; I237-Y458 HydrophobicContact CD1-CE1 4.11Å; I237-Y458 HydrophobicContact CD1-CE2 3.42Å; I237-Y458 VanDerWaalsContact CD1-CE2 3.42Å; I237-Y458 VanDerWaalsContact CD1-CZ 3.47Å; I237-Y458 HydrophobicContact CG1-CE2 4.05Å; I237-Y458 HydrophobicContact CG2-CE2 4.09Å; W455-Y458 HydrophobicContact CZ3-CD1 4.24Å; W455-Y458 WeakPolarHBondContact O-CB 3.28Å; W455-Y458 PolarHBondContact O-N 2.97Å; W455-Y458 VanDerWaalsContact O-N 3.15Å; Y458-A462 VanDerWaalsContact O-CB 3.27Å; Y458-A462 WeakPolarHBondContact O-CB 3.3Å; Y458-A462 PolarHBondContact O-N 3.41Å
459R98Very high96.4Very high12 Ų1220.5 Ų20.55%0.04511%0.107CC..Hα-helixtrans-71.7-43.2-177-173.2-140.864.174.32.9112.1E148 T457 A462 E463 T483E148-R459 VanDerWaalsContact CD-NE 3.34Å; E148-R459 IonicContact OE1-CZ 3.64Å; E148-R459 IonicContact OE1-NE 2.67Å; E148-R459 PolarHBondContact OE1-NE 3.07Å; E148-R459 IonicContact OE1-NH2 3.33Å; E148-R459 PolarHBondContact OE1-NH2 2.95Å; E148-R459 WeakPolarHBondContact OE2-CB 3.24Å; E148-R459 WeakPolarHBondContact OE2-CD 3.35Å; E148-R459 IonicContact OE2-CZ 2.65Å; E148-R459 IonicContact OE2-NE 2.69Å; E148-R459 PolarHBondContact OE2-NE 2.94Å; E148-R459 IonicContact OE2-NH2 3.43Å; T457-R459 PolarHBondContact O-N 2.68Å; T457-R459 VanDerWaalsContact O-N 3.08Å; R459-A462 WeakPolarHBondContact O-CB 3.4Å; R459-A462 PolarHBondContact O-N 3.22Å; R459-E463 IonicContact CZ-OE2 3.85Å; R459-E463 IonicContact NH1-OE2 2.81Å; R459-E463 PolarHBondContact NH1-OE2 3.49Å; R459-E463 IonicContact NH2-OE2 3.26Å; R459-E463 PolarHBondContact NH2-OE2 3.27Å; R459-E463 VanDerWaalsContact NH2-OE2 3.16Å; R459-E463 WeakPolarHBondContact O-CB 3.39Å; R459-E463 PolarHBondContact O-N 3.49Å; R459-T483 WeakPolarHBondContact CG-OG1 3.47Å; R459-T483 PolarHBondContact NH1-OG1 3.49Å
460S96.9Very high96.4Very high6 Ų621.9 Ų21.94%0.04211%0.114CC..Hα-helixtrans-67.4-40.5175.557.40000111.2E144 T457 A462 E463 E464E144-S460 WeakPolarHBondContact OE1-CB 3.28Å; E144-S460 PolarHBondContact OE1-OG 3.33Å; T457-S460 PolarHBondContact O-N 2.89Å; T457-S460 PolarHBondContact O-OG 3.39Å; S460-A462 VanDerWaalsContact C-N 3.3Å; S460-A462 PolarHBondContact O-N 3.02Å; S460-E463 PolarHBondContact O-N 2.98Å; S460-E464 WeakPolarHBondContact O-CG 3.36Å; S460-E464 PolarHBondContact O-N 2.66Å
461M97.4Very high96.4Very high2 Ų229.6 Ų29.61%0.0115%0.148CC..Hα-helixtrans-58-43172-66.2-169.2-65.100111.9H438 I450 K454 T457 T465H438-M461 HydrophobicContact CB-CG 4.09Å; H438-M461 HydrophobicContact CB-SD 3.54Å; H438-M461 VanDerWaalsContact CB-SD 3.54Å; I450-M461 HydrophobicContact CD1-CB 4.28Å; K454-M461 WeakPolarHBondContact O-CE 3.32Å; T457-M461 VanDerWaalsContact O-CG 3.32Å; T457-M461 WeakPolarHBondContact O-CG 3.26Å; T457-M461 PolarHBondContact O-N 3.38Å; M461-T465 VanDerWaalsContact O-CB 3.31Å; M461-T465 WeakPolarHBondContact O-CB 3.31Å; M461-T465 PolarHBondContact O-N 2.93Å; M461-T465 PolarHBondContact O-OG1 2.91Å
462A98.6Very high96.4Very high1 Ų130.5 Ų30.51%0.00815%0.152CC..Hα-helixtrans-62.9-47.6176.800000112.1G88 V89 Y458 R459 S460 E464 T465 V466G88-A462 WeakPolarHBondContact O-CB 3.23Å; V89-A462 HydrophobicContact CB-CB 4.5Å; V89-A462 HydrophobicContact CG2-CB 3.96Å; Y458-A462 VanDerWaalsContact O-CB 3.27Å; Y458-A462 WeakPolarHBondContact O-CB 3.3Å; Y458-A462 PolarHBondContact O-N 3.41Å; R459-A462 WeakPolarHBondContact O-CB 3.4Å; R459-A462 PolarHBondContact O-N 3.22Å; S460-A462 VanDerWaalsContact C-N 3.3Å; S460-A462 PolarHBondContact O-N 3.02Å; A462-E464 PolarHBondContact O-N 3.32Å; A462-T465 PolarHBondContact O-N 3.23Å; A462-V466 WeakPolarHBondContact O-CG2 3.43Å; A462-V466 PolarHBondContact O-N 2.57Å
463E98.5Very high96.6Very high57 Ų5730.8 Ų30.827%0.26615%0.153SC..Hα-helixtrans-56.7-50.4177.5175.8172.6-152.300112.1D92 R96 R459 S460 T465 V466 D467 C481D92-E463 WeakPolarHBondContact OD2-CA 3.3Å; R96-E463 PolarHBondContact NH2-O 3.33Å; R459-E463 IonicContact CZ-OE2 3.85Å; R459-E463 IonicContact NH1-OE2 2.81Å; R459-E463 PolarHBondContact NH1-OE2 3.49Å; R459-E463 IonicContact NH2-OE2 3.26Å; R459-E463 PolarHBondContact NH2-OE2 3.27Å; R459-E463 VanDerWaalsContact NH2-OE2 3.16Å; R459-E463 WeakPolarHBondContact O-CB 3.39Å; R459-E463 PolarHBondContact O-N 3.49Å; S460-E463 PolarHBondContact O-N 2.98Å; E463-T465 VanDerWaalsContact C-N 3.31Å; E463-T465 PolarHBondContact O-N 3.2Å; E463-V466 PolarHBondContact O-N 2.77Å; E463-D467 WeakPolarHBondContact O-CB 3.36Å; E463-D467 VanDerWaalsContact O-CG 3.27Å; E463-D467 PolarHBondContact O-N 2.9Å; E463-C481 HydrophobicContact CG-CB 4.37Å
464E98Very high96.9Very high79 Ų7934.1 Ų34.137%0.36916%0.163SC..Hα-helixtrans-63-38.2178.2-70.8-178.4-167.600112.2H438 I440 S460 A462 K468H438-E464 IonicContact CD2-OE2 2.64Å; H438-E464 IonicContact CE1-OE2 2.97Å; H438-E464 PolarHBondContact CE1-OE2 2.95Å; H438-E464 IonicContact NE2-OE2 3.92Å; H438-E464 PolarHBondContact NE2-OE2 3.39Å; I440-E464 HydrophobicContact CD1-CB 3.67Å; S460-E464 WeakPolarHBondContact O-CG 3.36Å; S460-E464 PolarHBondContact O-N 2.66Å; A462-E464 PolarHBondContact O-N 3.32Å; E464-K468 WeakPolarHBondContact O-CB 3.27Å; E464-K468 PolarHBondContact O-N 2.6Å
465T98.7Very high97.3Very high0 Ų032.6 Ų32.60%016%0.157CC..Hα-helixtrans-66.9-44.6179.1-57.10000111.1V89 I305 I448 I450 M461 A462 E463 K468 A469V89-T465 HydrophobicContact CG2-CG2 4.16Å; I305-T465 HydrophobicContact CD1-CG2 4.15Å; I305-T465 HydrophobicContact CG2-CG2 3.67Å; I448-T465 HydrophobicContact CG2-CG2 4.12Å; I450-T465 HydrophobicContact CB-CG2 4.16Å; I450-T465 HydrophobicContact CG2-CG2 4.15Å; M461-T465 VanDerWaalsContact O-CB 3.31Å; M461-T465 WeakPolarHBondContact O-CB 3.31Å; M461-T465 PolarHBondContact O-N 2.93Å; M461-T465 PolarHBondContact O-OG1 2.91Å; A462-T465 PolarHBondContact O-N 3.23Å; E463-T465 VanDerWaalsContact C-N 3.31Å; E463-T465 PolarHBondContact O-N 3.2Å; T465-K468 PolarHBondContact O-N 3.21Å; T465-A469 WeakPolarHBondContact O-CB 3.4Å; T465-A469 PolarHBondContact O-N 2.88Å
466V98.8Very high97.4Very high1 Ų137.6 Ų37.61%0.00618%0.18CC..Hα-helixtrans-68.7-38.6177.5176.20000111.1V89 D92 A93 L98 A462 E463 K468 A469 I470V89-V466 HydrophobicContact CG1-CG2 3.94Å; D92-V466 HydrophobicContact CB-CG2 4.1Å; D92-V466 WeakPolarHBondContact OD2-CB 3.33Å; A93-V466 HydrophobicContact CB-CG1 4.43Å; A93-V466 HydrophobicContact CB-CG2 4.15Å; L98-V466 HydrophobicContact CD1-CG1 4.31Å; A462-V466 WeakPolarHBondContact O-CG2 3.43Å; A462-V466 PolarHBondContact O-N 2.57Å; E463-V466 PolarHBondContact O-N 2.77Å; V466-K468 VanDerWaalsContact C-N 3.29Å; V466-K468 PolarHBondContact O-N 3.14Å; V466-A469 WeakPolarHBondContact O-CB 3.12Å; V466-A469 PolarHBondContact O-N 3.17Å; V466-A469 VanDerWaalsContact O-N 3.17Å; V466-I470 HydrophobicContact CG1-CD1 3.92Å; V466-I470 HydrophobicContact CG1-CG1 4.39Å; V466-I470 WeakPolarHBondContact O-CD1 3.24Å; V466-I470 VanDerWaalsContact O-CG1 3.28Å; V466-I470 WeakPolarHBondContact O-CG1 3.2Å; V466-I470 PolarHBondContact O-N 2.78Å
467D98.6Very high97.5Very high58 Ų5839.6 Ų39.631%0.3119%0.192SC..Hα-helixtrans-59.8-40.7173-78.1-1.8000112R96 E463 K471R96-D467 IonicContact CZ-OD1 3.4Å; R96-D467 VanDerWaalsContact CZ-OD1 3.27Å; R96-D467 IonicContact NH1-OD1 3.39Å; R96-D467 PolarHBondContact NH1-OD1 2.88Å; R96-D467 IonicContact NH2-OD1 2.83Å; R96-D467 PolarHBondContact NH2-OD1 2.72Å; E463-D467 WeakPolarHBondContact O-CB 3.36Å; E463-D467 VanDerWaalsContact O-CG 3.27Å; E463-D467 PolarHBondContact O-N 2.9Å; D467-K471 WeakPolarHBondContact O-CG 3.23Å; D467-K471 PolarHBondContact O-N 2.86Å
468K98.4Very high97.6Very high77 Ų7745.3 Ų45.334%0.33523%0.227SC..Hα-helixtrans-66.4-43.3174-170.270173.4-169.80111.2I440 V442 E464 T465 V466 I470 K471 V472I440-K468 HydrophobicContact CG2-CB 4.21Å; I440-K468 HydrophobicContact CG2-CG 3.93Å; V442-K468 HydrophobicContact CG2-CD 4.43Å; V442-K468 VanDerWaalsContact CG2-CE 3.5Å; V442-K468 HydrophobicContact CG2-CG 4.03Å; E464-K468 WeakPolarHBondContact O-CB 3.27Å; E464-K468 PolarHBondContact O-N 2.6Å; T465-K468 PolarHBondContact O-N 3.21Å; V466-K468 VanDerWaalsContact C-N 3.29Å; V466-K468 PolarHBondContact O-N 3.14Å; K468-I470 PolarHBondContact O-N 2.91Å; K468-K471 PolarHBondContact O-N 3.28Å; K468-V472 HydrophobicContact CD-CG2 4.18Å; K468-V472 HydrophobicContact CG-CG2 4.14Å; K468-V472 WeakPolarHBondContact O-CB 3.46Å; K468-V472 VanDerWaalsContact O-CG2 3.31Å; K468-V472 WeakPolarHBondContact O-CG2 3.41Å; K468-V472 PolarHBondContact O-N 2.95Å
469A98.4Very high97.6Very high0 Ų046.4 Ų46.40%024%0.24CC..Hα-helixtrans-59.6-44.9177.500000112.7I305 I448 T465 V466 K471 V472 C473 L475I305-A469 HydrophobicContact CD1-CB 4.06Å; I448-A469 HydrophobicContact CD1-CB 3.74Å; T465-A469 WeakPolarHBondContact O-CB 3.4Å; T465-A469 PolarHBondContact O-N 2.88Å; V466-A469 WeakPolarHBondContact O-CB 3.12Å; V466-A469 PolarHBondContact O-N 3.17Å; V466-A469 VanDerWaalsContact O-N 3.17Å; A469-K471 VanDerWaalsContact C-N 3.29Å; A469-K471 PolarHBondContact O-N 2.9Å; A469-V472 PolarHBondContact O-N 3.11Å; A469-C473 WeakPolarHBondContact O-CB 3.48Å; A469-C473 PolarHBondContact O-N 2.9Å; A469-L475 HydrophobicContact CB-CD1 4.2Å
470I98.4Very high97.5Very high32 Ų3251 Ų5116%0.16427%0.272CS..Hα-helixtrans-56.2-45.7175.6-70.6160.5000110.6L98 V466 K468 D474 L475 P477L98-I470 HydrophobicContact CD1-CG1 4.46Å; V466-I470 HydrophobicContact CG1-CD1 3.92Å; V466-I470 HydrophobicContact CG1-CG1 4.39Å; V466-I470 WeakPolarHBondContact O-CD1 3.24Å; V466-I470 VanDerWaalsContact O-CG1 3.28Å; V466-I470 WeakPolarHBondContact O-CG1 3.2Å; V466-I470 PolarHBondContact O-N 2.78Å; K468-I470 PolarHBondContact O-N 2.91Å; I470-D474 VanDerWaalsContact O-CA 3.24Å; I470-D474 WeakPolarHBondContact O-CA 3.41Å; I470-D474 PolarHBondContact O-N 3.5Å; I470-D474 VanDerWaalsContact O-N 3.08Å; I470-L475 HydrophobicContact CG1-CB 4.23Å; I470-L475 PolarHBondContact O-N 2.71Å; I470-L475 VanDerWaalsContact O-N 3.16Å; I470-P477 HydrophobicContact CD1-CG 3.94Å; I470-P477 HydrophobicContact CG1-CG 4.38Å
471K97.7Very high97.5Very high167 Ų16752.2 Ų52.273%0.72628%0.28SS*.Hα-helixtrans-70.6-43.9-179.1-68170.4-174.3171.10113.1D467 K468 A469D467-K471 WeakPolarHBondContact O-CG 3.23Å; D467-K471 PolarHBondContact O-N 2.86Å; K468-K471 PolarHBondContact O-N 3.28Å; A469-K471 VanDerWaalsContact C-N 3.29Å; A469-K471 PolarHBondContact O-N 2.9Å
472V96.3Very high97.4Very high20 Ų2057.8 Ų57.812%0.12130%0.301CS..Hα-helixtrans-75.8-38-173.3170.20000112.3V442 K446 I448 K468 A469V442-V472 HydrophobicContact CG1-CG1 3.79Å; V442-V472 HydrophobicContact CG1-CG2 4.18Å; V442-V472 HydrophobicContact CG2-CG2 4.22Å; K446-V472 HydrophobicContact CB-CG1 4.01Å; K446-V472 HydrophobicContact CD-CG1 4.1Å; K446-V472 HydrophobicContact CG-CG1 4.03Å; K446-V472 PolarHBondContact NZ-O 3.01Å; I448-V472 HydrophobicContact CD1-CB 4.26Å; I448-V472 HydrophobicContact CD1-CG1 4.46Å; K468-V472 HydrophobicContact CD-CG2 4.18Å; K468-V472 HydrophobicContact CG-CG2 4.14Å; K468-V472 WeakPolarHBondContact O-CB 3.46Å; K468-V472 VanDerWaalsContact O-CG2 3.31Å; K468-V472 WeakPolarHBondContact O-CG2 3.41Å; K468-V472 PolarHBondContact O-N 2.95Å; A469-V472 PolarHBondContact O-N 3.11Å
473C96.1Very high97.4Very high17 Ų1758 Ų5812%0.11530%0.302CS..Hα-helixtrans-104.75.8-176-66.10000113.7R302 C303 A469 L475R302-C473 PolarHBondContact O-SG 2.86Å; C303-C473 HydrophobicContact CB-CB 3.86Å; C303-C473 VanDerWaalsContact CB-SG 3.6Å; A469-C473 WeakPolarHBondContact O-CB 3.48Å; A469-C473 PolarHBondContact O-N 2.9Å; C473-L475 VanDerWaalsContact C-N 3.28Å; C473-L475 HydrophobicContact CB-CD2 3.89Å; C473-L475 HydrophobicContact CB-CG 4.01Å; C473-L475 PolarHBondContact O-N 2.64Å
474D95.7Very high97.3Very high102 Ų10261.2 Ų61.255%0.54532%0.315SS..THydrogen-bonded Turntrans51.243.6-178.4-16541.3000113.6I470 K476I470-D474 VanDerWaalsContact O-CA 3.24Å; I470-D474 WeakPolarHBondContact O-CA 3.41Å; I470-D474 PolarHBondContact O-N 3.5Å; I470-D474 VanDerWaalsContact O-N 3.08Å; D474-K476 WeakPolarHBondContact O-CE 3.01Å; D474-K476 IonicContact OD1-NZ 3.15Å; D474-K476 PolarHBondContact OD1-NZ 2.97Å; D474-K476 WeakPolarHBondContact OD2-CE 3.33Å; D474-K476 IonicContact OD2-NZ 2.86Å; D474-K476 PolarHBondContact OD2-NZ 3.04Å
475L97.5Very high97.1Very high5 Ų559.4 Ų59.43%0.02632%0.317CS..  trans-71.4151.6179.6-50.4178.3000110.7D76 V77 L98 R302 C303 A469 I470 C473 P477D76-L475 HydrophobicContact CB-CD2 4.31Å; V77-L475 HydrophobicContact CG2-CD1 3.66Å; L98-L475 HydrophobicContact CD1-CD1 4.24Å; L98-L475 HydrophobicContact CD2-CB 4.06Å; R302-L475 HydrophobicContact CB-CD2 3.79Å; C303-L475 HydrophobicContact CB-CD1 4.1Å; C303-L475 HydrophobicContact CB-CD2 4.37Å; A469-L475 HydrophobicContact CB-CD1 4.2Å; I470-L475 HydrophobicContact CG1-CB 4.23Å; I470-L475 PolarHBondContact O-N 2.71Å; I470-L475 VanDerWaalsContact O-N 3.16Å; C473-L475 VanDerWaalsContact C-N 3.28Å; C473-L475 HydrophobicContact CB-CD2 3.89Å; C473-L475 HydrophobicContact CB-CG 4.01Å; C473-L475 PolarHBondContact O-N 2.64Å; L475-P477 VanDerWaalsContact O-CD 3.28Å; L475-P477 WeakPolarHBondContact O-CD 3.41Å
476K97.3Very high96.9Very high141 Ų14159.9 Ų59.961%0.61332%0.32SS*.  trans-118.180.9-176-54.9-57.8176.8-167.30110.8D474D474-K476 WeakPolarHBondContact O-CE 3.01Å; D474-K476 IonicContact OD1-NZ 3.15Å; D474-K476 PolarHBondContact OD1-NZ 2.97Å; D474-K476 WeakPolarHBondContact OD2-CE 3.33Å; D474-K476 IonicContact OD2-NZ 2.86Å; D474-K476 PolarHBondContact OD2-NZ 3.04Å
477P97.5Very high96.8Very high45 Ų4561.3 Ų61.329%0.29233%0.327SS..  trans-66.1149.6176.530-36.1000110.9R96 L98 I470 L475 G479R96-P477 HydrophobicContact CB-CB 3.89Å; L98-P477 HydrophobicContact CD2-CB 4.17Å; L98-P477 HydrophobicContact CG-CB 4.26Å; I470-P477 HydrophobicContact CD1-CG 3.94Å; I470-P477 HydrophobicContact CG1-CG 4.38Å; L475-P477 VanDerWaalsContact O-CD 3.28Å; L475-P477 WeakPolarHBondContact O-CD 3.41Å; P477-G479 VanDerWaalsContact C-N 3.32Å
478T96.7Very high96.8Very high124 Ų12458.6 Ų58.676%0.76131%0.313SS*.SBendtrans-82.8-12176.563.80000112.8R96R96-T478 PolarHBondContact O-N 2.84Å; R96-T478 PolarHBondContact O-OG1 2.73Å
479G95.5Very high96.7Very high28 Ų2855 Ų5529%0.28930%0.297SS..SBendtrans-161.2174-179.800000113.4R96 P477R96-G479 PolarHBondContact O-N 3.17Å; P477-G479 VanDerWaalsContact C-N 3.32Å
480P96.7Very high96.6Very high109 Ų10955 Ų5571%0.70830%0.297SS*.  trans-73.9170.2177.833.3-36.4000111.9R482P480-R482 PolarHBondContact O-N 2.83Å
481C97.4Very high96.5Very high31 Ų3153.9 Ų53.921%0.20929%0.293CS..  trans-51.6129.1165.8-175.60000110.3D92 E463 T483D92-C481 PolarHBondContact OD1-SG 2.77Å; D92-C481 VanDerWaalsContact OD1-SG 3.32Å; E463-C481 HydrophobicContact CG-CB 4.37Å; C481-T483 PolarHBondContact SG-OG1 2.77Å
482R95.8Very high96.4Very high119 Ų11946.4 Ų46.445%0.44926%0.261SS..  trans-127.413.1177.260.7172.2165.3-179.2-5.9113.5S95 Y244 P480 K484 L486S95-R482 PolarHBondContact O-NE 2.56Å; S95-R482 PolarHBondContact O-NH2 3.05Å; Y244-R482 VanDerWaalsContact CD1-NH2 3.35Å; Y244-R482 VanDerWaalsContact CE1-CZ 3.42Å; Y244-R482 VanDerWaalsContact CE1-NH2 3.29Å; P480-R482 PolarHBondContact O-N 2.83Å; R482-K484 VanDerWaalsContact C-N 3.33Å; R482-K484 PolarHBondContact O-N 3.49Å; R482-L486 HydrophobicContact CG-CD1 4.31Å; R482-L486 WeakPolarHBondContact O-CB 3.19Å
483T97.3Very high96.2Very high6 Ų647.3 Ų47.34%0.03727%0.274CS..  trans-73.7-22.2-173.1570000113.8L91 D92 R459 C481 G485 L486L91-T483 HydrophobicContact CG-CG2 4.32Å; D92-T483 HydrophobicContact CB-CG2 3.7Å; R459-T483 WeakPolarHBondContact CG-OG1 3.47Å; R459-T483 PolarHBondContact NH1-OG1 3.49Å; C481-T483 PolarHBondContact SG-OG1 2.77Å; T483-G485 PolarHBondContact O-N 3.01Å; T483-L486 WeakPolarHBondContact O-CB 3.36Å; T483-L486 PolarHBondContact O-N 2.83Å
484K95.9Very high96.1Very high125 Ų12549.6 Ų49.654%0.54328%0.28SS..THydrogen-bonded Turntrans-72.3118.4174-168.2169.8-170.3162.60109.9S147 R482 L486S147-K484 PolarHBondContact OG-NZ 2.86Å; S147-K484 VanDerWaalsContact OG-NZ 3.14Å; R482-K484 VanDerWaalsContact C-N 3.33Å; R482-K484 PolarHBondContact O-N 3.49Å; K484-L486 VanDerWaalsContact C-N 3.3Å
485G93.7Very high96Very high40 Ų4047 Ų4741%0.41227%0.27SS..THydrogen-bonded Turntrans80.12-17500000115.3N151 T483 L487N151-G485 PolarHBondContact OD1-N 3.06Å; T483-G485 PolarHBondContact O-N 3.01Å; G485-L487 PolarHBondContact O-N 3.35Å
486L95.5Very high95.7Very high11 Ų1151.1 Ų51.16%0.05830%0.297CS..PPolyproline II helixtrans-72.1116.7176.7-174.6153.2000110L91 I155 T240 Y244 R482 T483 K484 L488L91-L486 HydrophobicContact CD1-CD2 4.33Å; L91-L486 HydrophobicContact CD2-CD2 4.34Å; I155-L486 WeakPolarHBondContact CB-O 3.46Å; I155-L486 WeakPolarHBondContact CG2-O 3.45Å; T240-L486 HydrophobicContact CG2-CD2 3.63Å; Y244-L486 HydrophobicContact CE2-CD1 3.79Å; Y244-L486 HydrophobicContact CE2-CD2 4.08Å; Y244-L486 HydrophobicContact CE2-CG 4.33Å; Y244-L486 WeakPolarHBondContact OH-CD1 3.37Å; R482-L486 HydrophobicContact CG-CD1 4.31Å; R482-L486 WeakPolarHBondContact O-CB 3.19Å; T483-L486 WeakPolarHBondContact O-CB 3.36Å; T483-L486 PolarHBondContact O-N 2.83Å; K484-L486 VanDerWaalsContact C-N 3.3Å; L486-L488 HydrophobicContact CD2-CD2 4.34Å
487L96.8Very high95.7Very high31 Ų3149.4 Ų49.416%0.16230%0.295CS..PPolyproline II helixtrans-65.6134.7179.5-65.4-179.5000111P47 G485 A491 H492P47-L487 HydrophobicContact CG-CD1 3.85Å; G485-L487 PolarHBondContact O-N 3.35Å; L487-A491 HydrophobicContact CB-CB 4.23Å; L487-A491 HydrophobicContact CD2-CB 4.33Å; L487-H492 PolarHBondContact O-CE1 3.47Å
488L97.7Very high95.6Very high1 Ų147.7 Ų47.71%0.00528%0.283CS..PPolyproline II helixtrans-84166.2177.3-59.4-176.4000111.7L91 I155 A156 M233 I237 T240 L486 G490 A491 H492L91-L488 HydrophobicContact CD2-CD2 3.97Å; I155-L488 HydrophobicContact CB-CG 4.46Å; I155-L488 HydrophobicContact CD1-CD1 3.9Å; I155-L488 HydrophobicContact CD1-CD2 4.28Å; I155-L488 HydrophobicContact CD1-CG 3.91Å; I155-L488 HydrophobicContact CG1-CD1 4.18Å; I155-L488 HydrophobicContact CG1-CG 4.1Å; I155-L488 PolarHBondContact O-N 2.7Å; A156-L488 HydrophobicContact CB-CB 4.32Å; A156-L488 HydrophobicContact CB-CD1 4.07Å; A156-L488 HydrophobicContact CB-CG 4.45Å; M233-L488 HydrophobicContact SD-CD1 3.66Å; I237-L488 HydrophobicContact CG1-CD1 3.68Å; I237-L488 HydrophobicContact CG1-CD2 4.25Å; T240-L488 HydrophobicContact CG2-CD2 4.2Å; L486-L488 HydrophobicContact CD2-CD2 4.34Å; L488-G490 PolarHBondContact O-N 3.4Å; L488-A491 VanDerWaalsContact O-CB 3.28Å; L488-A491 WeakPolarHBondContact O-CB 3.3Å; L488-A491 PolarHBondContact O-N 3.13Å; L488-H492 PolarHBondContact O-ND1 2.83Å
489E97.2Very high95.6Very high0 Ų043.6 Ų43.60%025%0.254CS..THydrogen-bonded Turntrans-42.8132.3169.3-170.573.5-167.800110.8F55 H158 L239 T240 R243 A491 K523F55-E489 VanDerWaalsContact CD1-OE2 3.29Å; F55-E489 WeakPolarHBondContact CD1-OE2 3.39Å; H158-E489 PolarHBondContact CE1-O 3.39Å; H158-E489 PolarHBondContact NE2-O 3.05Å; L239-E489 HydrophobicContact CB-CB 4.3Å; L239-E489 HydrophobicContact CB-CG 4.33Å; L239-E489 HydrophobicContact CD1-CG 4.22Å; T240-E489 PolarHBondContact OG1-N 3.23Å; R243-E489 WeakPolarHBondContact CG-OE2 3.23Å; R243-E489 IonicContact CZ-OE1 3.39Å; R243-E489 IonicContact CZ-OE2 3.77Å; R243-E489 IonicContact NE-OE1 2.77Å; R243-E489 IonicContact NE-OE2 2.77Å; R243-E489 PolarHBondContact NE-OE2 2.95Å; R243-E489 IonicContact NH2-OE1 3.81Å; R243-E489 PolarHBondContact NH2-OE1 3.33Å; R243-E489 IonicContact NH2-OE2 3.23Å; E489-A491 VanDerWaalsContact C-N 3.33Å; E489-A491 PolarHBondContact O-N 2.99Å; E489-K523 WeakPolarHBondContact OE1-CE 3.46Å
490G96.8Very high95.8Very high0 Ų045.3 Ų45.30%026%0.256CS..THydrogen-bonded Turntrans89.1-23.4-177.800000115.2H158 L488 W494 Y520 G521 D522H158-G490 VanDerWaalsContact CE1-C 3.44Å; L488-G490 PolarHBondContact O-N 3.4Å; G490-W494 WeakPolarHBondContact O-CB 3.49Å; G490-Y520 WeakPolarHBondContact CA-O 3.42Å; G490-G521 CarbonylContact O-C 3.53Å; G490-G521 WeakPolarHBondContact O-CA 3.29Å; G490-D522 VanDerWaalsContact CA-OD1 3.28Å; G490-D522 WeakPolarHBondContact CA-OD1 3.49Å; G490-D522 PolarHBondContact O-N 3.03Å
491A96.2Very high95.7Very high9 Ų943.3 Ų43.37%0.07424%0.238CC..  trans-82.4-15.8-17100000115.4I155 H158 L487 L488 E489I155-A491 VanDerWaalsContact O-CB 3.28Å; I155-A491 WeakPolarHBondContact O-CB 3.44Å; H158-A491 PolarHBondContact CE1-N 3.11Å; L487-A491 HydrophobicContact CB-CB 4.23Å; L487-A491 HydrophobicContact CD2-CB 4.33Å; L488-A491 VanDerWaalsContact O-CB 3.28Å; L488-A491 WeakPolarHBondContact O-CB 3.3Å; L488-A491 PolarHBondContact O-N 3.13Å; E489-A491 VanDerWaalsContact C-N 3.33Å; E489-A491 PolarHBondContact O-N 2.99Å
492H94.4Very high95.7Very high11 Ų1141.9 Ų41.95%0.05123%0.228CC..SBendtrans-72.9-46.8-164.7-67.168.7000113.1P47 E51 F52 F55 L487 L488 D522P47-H492 HydrophobicContact CG-CB 4.17Å; E51-H492 WeakPolarHBondContact CG-NE2 3.48Å; E51-H492 IonicContact OE1-NE2 3.16Å; F52-H492 HydrophobicContact CD1-CB 4.34Å; F52-H492 HydrophobicContact CE1-CB 3.94Å; F55-H492 AromaticContact CD1-CE1 3.43Å; F55-H492 VanDerWaalsContact CD1-CE1 3.43Å; F55-H492 WeakPolarHBondContact CD1-CE1 3.34Å; F55-H492 AromaticContact CD1-ND1 3.81Å; F55-H492 AromaticContact CD2-CD2 3.95Å; F55-H492 AromaticContact CD2-CE1 3.5Å; F55-H492 VanDerWaalsContact CD2-CE1 3.5Å; F55-H492 WeakPolarHBondContact CD2-CE1 3.26Å; F55-H492 AromaticContact CD2-NE2 3.28Å; F55-H492 VanDerWaalsContact CD2-NE2 3.28Å; F55-H492 WeakPolarHBondContact CD2-NE2 3.39Å; F55-H492 AromaticContact CE1-CE1 3.32Å; F55-H492 WeakPolarHBondContact CE1-CE1 3.39Å; F55-H492 AromaticContact CE2-CE1 3.39Å; F55-H492 WeakPolarHBondContact CE2-CE1 3.48Å; F55-H492 AromaticContact CE2-NE2 3.2Å; F55-H492 WeakPolarHBondContact CE2-NE2 3.48Å; F55-H492 AromaticContact CG-CE1 3.52Å; F55-H492 AromaticContact CG-ND1 3.88Å; F55-H492 AromaticContact CG-NE2 3.75Å; F55-H492 AromaticContact CZ-CE1 3.29Å; F55-H492 WeakPolarHBondContact CZ-CE1 3.24Å; F55-H492 AromaticContact CZ-NE2 3.59Å; L487-H492 PolarHBondContact O-CE1 3.47Å; L488-H492 PolarHBondContact O-ND1 2.83Å; H492-D522 PolarHBondContact N-OD2 2.9Å
493G92Very high95.8Very high39 Ų3937.5 Ų37.540%0.40221%0.214SC..SBendtrans-99.17.3175.600000114.1D522G493-D522 PolarHBondContact N-OD2 3.2Å
494W94.8Very high95.8Very high65 Ų6544.4 Ų44.425%0.24625%0.246CC..  trans-74.3142.6-174.7-179.183000112.3P157 H158 G490 P496 T517P157-W494 HydrophobicContact CB-CE3 4.07Å; P157-W494 HydrophobicContact CB-CH2 4.27Å; P157-W494 HydrophobicContact CB-CZ3 3.65Å; P157-W494 HydrophobicContact CG-CE3 3.66Å; P157-W494 HydrophobicContact CG-CZ3 3.78Å; H158-W494 HydrophobicContact CB-CD2 3.9Å; H158-W494 HydrophobicContact CB-CG 3.88Å; H158-W494 HydrophobicContact CB-CZ2 4.2Å; G490-W494 WeakPolarHBondContact O-CB 3.49Å; W494-P496 HydrophobicContact CH2-CB 4.47Å; W494-P496 HydrophobicContact CH2-CG 3.86Å; W494-P496 HydrophobicContact CZ3-CG 4.06Å; W494-T517 VanDerWaalsContact CD1-O 3.3Å; W494-T517 PolarHBondContact NE1-O 3.37Å
495S93.5Very high95.8Very high48 Ų4844.2 Ų44.234%0.33625%0.247SC..  trans-143.2156.2166.375.80000110.7N497 L498S495-N497 PolarHBondContact O-N 3.19Å; S495-N497 PolarHBondContact OG-N 3.11Å; S495-L498 VanDerWaalsContact O-CB 3.29Å; S495-L498 WeakPolarHBondContact O-CB 3.49Å; S495-L498 PolarHBondContact O-N 3.23Å; S495-L498 PolarHBondContact OG-N 3.17Å
496P92.1Very high95.9Very high90 Ų9044 Ų4458%0.58423%0.234SC*.THydrogen-bonded Turntrans-57.9-19.8175.5-25.534.4000114.4W494 F499W494-P496 HydrophobicContact CH2-CB 4.47Å; W494-P496 HydrophobicContact CH2-CG 3.86Å; W494-P496 HydrophobicContact CZ3-CG 4.06Å; P496-F499 VanDerWaalsContact O-CD1 3.26Å; P496-F499 WeakPolarHBondContact O-CD1 3.3Å; P496-F499 WeakPolarHBondContact O-CE1 3.46Å
497N95.5Very high96Very high106 Ų10643.7 Ų43.757%0.56723%0.234SC*.THydrogen-bonded Turntrans-99.3-1.3-178.8-66.5-21.3000113.2S495 F499 I500S495-N497 PolarHBondContact O-N 3.19Å; S495-N497 PolarHBondContact OG-N 3.11Å; N497-F499 PolarHBondContact O-N 3.17Å; N497-F499 VanDerWaalsContact O-N 3.14Å; N497-I500 HydrophobicContact CB-CD1 4.14Å; N497-I500 VanDerWaalsContact O-CB 3.28Å; N497-I500 WeakPolarHBondContact O-CB 3.41Å; N497-I500 PolarHBondContact O-N 2.81Å
498L96.1Very high96Very high8 Ų842.2 Ų42.24%0.04223%0.226CC..Hα-helixtrans-57.3-32.3-177.2-178.860.4000112.3S495 I500 Q501 I502 T517 G521 I525S495-L498 VanDerWaalsContact O-CB 3.29Å; S495-L498 WeakPolarHBondContact O-CB 3.49Å; S495-L498 PolarHBondContact O-N 3.23Å; S495-L498 PolarHBondContact OG-N 3.17Å; L498-I500 PolarHBondContact O-N 2.83Å; L498-Q501 WeakPolarHBondContact O-CB 3.49Å; L498-Q501 PolarHBondContact O-N 3.34Å; L498-Q501 VanDerWaalsContact O-N 3.16Å; L498-I502 PolarHBondContact O-N 2.89Å; L498-T517 HydrophobicContact CB-CG2 3.99Å; L498-T517 HydrophobicContact CD2-CG2 3.87Å; L498-T517 HydrophobicContact CG-CG2 3.68Å; L498-G521 WeakPolarHBondContact CD2-O 3.14Å; L498-I525 HydrophobicContact CD1-CD1 4.08Å; L498-I525 HydrophobicContact CD1-CG1 4.31Å
499F97.6Very high95.9Very high38 Ų3844.1 Ų44.117%0.16724%0.236CC..Hα-helixtrans-61.4-29.4177.180-85.1000112.5P496 N497 Q501 I502 V503 V510 A513 R514 T517P496-F499 VanDerWaalsContact O-CD1 3.26Å; P496-F499 WeakPolarHBondContact O-CD1 3.3Å; P496-F499 WeakPolarHBondContact O-CE1 3.46Å; N497-F499 PolarHBondContact O-N 3.17Å; N497-F499 VanDerWaalsContact O-N 3.14Å; F499-Q501 VanDerWaalsContact C-N 3.34Å; F499-I502 PolarHBondContact O-N 3.35Å; F499-V503 VanDerWaalsContact O-CG2 3.3Å; F499-V503 WeakPolarHBondContact O-CG2 3.19Å; F499-V503 PolarHBondContact O-N 3.16Å; F499-V510 HydrophobicContact CD2-CG1 4.39Å; F499-V510 HydrophobicContact CE2-CG1 4.24Å; F499-A513 HydrophobicContact CB-CB 4.07Å; F499-R514 HydrophobicContact CB-CG 4.07Å; F499-R514 HydrophobicContact CD1-CG 4.35Å; F499-R514 HydrophobicContact CD2-CG 3.79Å; F499-R514 HydrophobicContact CE2-CG 4.36Å; F499-R514 HydrophobicContact CG-CG 3.79Å; F499-T517 HydrophobicContact CB-CG2 4.24Å
500I97.9Very high95.9Very high65 Ų6546.9 Ų46.933%0.33325%0.253SS..Hα-helixtrans-65.4-42.8178.5-58.5175.9000109.7N497 L498 I502 V503 Q504N497-I500 HydrophobicContact CB-CD1 4.14Å; N497-I500 VanDerWaalsContact O-CB 3.28Å; N497-I500 WeakPolarHBondContact O-CB 3.41Å; N497-I500 PolarHBondContact O-N 2.81Å; L498-I500 PolarHBondContact O-N 2.83Å; I500-I502 VanDerWaalsContact C-N 3.34Å; I500-I502 PolarHBondContact O-N 3.21Å; I500-V503 PolarHBondContact O-N 3.4Å; I500-Q504 HydrophobicContact CG2-CG 4.22Å; I500-Q504 WeakPolarHBondContact O-CB 3.32Å; I500-Q504 VanDerWaalsContact O-CG 3.32Å; I500-Q504 WeakPolarHBondContact O-CG 3.47Å; I500-Q504 PolarHBondContact O-N 2.87Å
501Q96.2Very high95.9Very high67 Ų6750 Ų5031%0.31327%0.269SS..Hα-helixtrans-59.2-46.8175.8-174.1-174-13.700110.6L498 F499 V503 Q504 E505L498-Q501 WeakPolarHBondContact O-CB 3.49Å; L498-Q501 PolarHBondContact O-N 3.34Å; L498-Q501 VanDerWaalsContact O-N 3.16Å; F499-Q501 VanDerWaalsContact C-N 3.34Å; Q501-V503 VanDerWaalsContact C-N 3.33Å; Q501-V503 PolarHBondContact O-N 2.87Å; Q501-Q504 PolarHBondContact O-N 2.98Å; Q501-E505 HydrophobicContact CG-CG 4.15Å; Q501-E505 WeakPolarHBondContact CG-OE1 3.33Å; Q501-E505 WeakPolarHBondContact CG-OE2 3.3Å; Q501-E505 PolarHBondContact NE2-OE1 3.25Å; Q501-E505 PolarHBondContact NE2-OE2 3.32Å; Q501-E505 WeakPolarHBondContact O-CB 3.32Å; Q501-E505 PolarHBondContact O-N 3.37Å
502I97Very high96Very high0 Ų049.5 Ų49.50%027%0.266CS..Hα-helixtrans-59.7-44.6178.3-61.9-174.7000111.2L498 F499 I500 Y506 M508 A513 T517 A524 A528L498-I502 PolarHBondContact O-N 2.89Å; F499-I502 PolarHBondContact O-N 3.35Å; I500-I502 VanDerWaalsContact C-N 3.34Å; I500-I502 PolarHBondContact O-N 3.21Å; I502-Y506 WeakPolarHBondContact O-CA 3.49Å; I502-Y506 VanDerWaalsContact O-CB 3.26Å; I502-Y506 WeakPolarHBondContact O-CB 3.21Å; I502-Y506 PolarHBondContact O-N 2.96Å; I502-M508 HydrophobicContact CG2-CB 4.22Å; I502-M508 HydrophobicContact CG2-CG 4.2Å; I502-M508 HydrophobicContact CG2-SD 3.6Å; I502-M508 VanDerWaalsContact CG2-SD 3.6Å; I502-A513 HydrophobicContact CB-CB 4.02Å; I502-A513 HydrophobicContact CG2-CB 3.89Å; I502-T517 HydrophobicContact CD1-CG2 3.47Å; I502-T517 VanDerWaalsContact CD1-CG2 3.47Å; I502-T517 HydrophobicContact CG1-CG2 4.38Å; I502-A524 HydrophobicContact CD1-CB 3.56Å; I502-A528 HydrophobicContact CG2-CB 4.34Å
503V97.5Very high96.2Very high27 Ų2749 Ų4916%0.16426%0.263CS..Hα-helixtrans-62.3-45.9177.31740000111.4F499 I500 Q501 G507 V510 A513 W538F499-V503 VanDerWaalsContact O-CG2 3.3Å; F499-V503 WeakPolarHBondContact O-CG2 3.19Å; F499-V503 PolarHBondContact O-N 3.16Å; I500-V503 PolarHBondContact O-N 3.4Å; Q501-V503 VanDerWaalsContact C-N 3.33Å; Q501-V503 PolarHBondContact O-N 2.87Å; V503-G507 VanDerWaalsContact O-CA 3.3Å; V503-G507 WeakPolarHBondContact O-CA 3.24Å; V503-G507 PolarHBondContact O-N 3.02Å; V503-G507 VanDerWaalsContact O-N 3.08Å; V503-V510 HydrophobicContact CG2-CG2 4.16Å; V503-A513 HydrophobicContact CG2-CB 3.58Å; V503-W538 HydrophobicContact CG1-CH2 4.1Å; V503-W538 HydrophobicContact CG1-CZ2 4.33Å
504Q96.6Very high96.4Very high151 Ų15154.1 Ų54.171%0.70627%0.27SS*.Hα-helixtrans-73.3-41.6-174-73.1177.7-14.900113.4I500 Q501I500-Q504 HydrophobicContact CG2-CG 4.22Å; I500-Q504 WeakPolarHBondContact O-CB 3.32Å; I500-Q504 VanDerWaalsContact O-CG 3.32Å; I500-Q504 WeakPolarHBondContact O-CG 3.47Å; I500-Q504 PolarHBondContact O-N 2.87Å; Q501-Q504 PolarHBondContact O-N 2.98Å
505E96.2Very high96.5Very high121 Ų12152 Ų5257%0.56526%0.264SS*.Hα-helixtrans-87.5-34.1-174.7-66.4178-178.200112.4Q501Q501-E505 HydrophobicContact CG-CG 4.15Å; Q501-E505 WeakPolarHBondContact CG-OE1 3.33Å; Q501-E505 WeakPolarHBondContact CG-OE2 3.3Å; Q501-E505 PolarHBondContact NE2-OE1 3.25Å; Q501-E505 PolarHBondContact NE2-OE2 3.32Å; Q501-E505 WeakPolarHBondContact O-CB 3.32Å; Q501-E505 PolarHBondContact O-N 3.37Å
506Y96.5Very high96.8Very high36 Ų3649.8 Ų49.814%0.14125%0.248CC..Hα-helixtrans-108.6-9.7-173.1-61.6-92.7000113.8I502 M508 A528 N529 L541I502-Y506 WeakPolarHBondContact O-CA 3.49Å; I502-Y506 VanDerWaalsContact O-CB 3.26Å; I502-Y506 WeakPolarHBondContact O-CB 3.21Å; I502-Y506 PolarHBondContact O-N 2.96Å; Y506-M508 VanDerWaalsContact C-N 3.32Å; Y506-M508 PolarHBondContact O-N 3.39Å; Y506-A528 HydrophobicContact CD1-CB 3.71Å; Y506-A528 HydrophobicContact CD2-CB 4.01Å; Y506-A528 HydrophobicContact CE1-CB 3.84Å; Y506-A528 HydrophobicContact CE2-CB 4.14Å; Y506-A528 HydrophobicContact CG-CB 3.78Å; Y506-N529 WeakPolarHBondContact CE1-OD1 3.43Å; Y506-N529 PolarHBondContact OH-OD1 2.96Å; Y506-L541 HydrophobicContact CD1-CD1 3.94Å
507G96.6Very high97Very high5 Ų545.9 Ų45.95%0.05222%0.222CC..  trans64.134.4178.900000113.7V503 P539 I540V503-G507 VanDerWaalsContact O-CA 3.3Å; V503-G507 WeakPolarHBondContact O-CA 3.24Å; V503-G507 PolarHBondContact O-N 3.02Å; V503-G507 VanDerWaalsContact O-N 3.08Å; G507-P539 CarbonylContact O-C 3.6Å; G507-P539 WeakPolarHBondContact O-CA 3.49Å; G507-P539 WeakPolarHBondContact O-CB 3.41Å; G507-I540 PolarHBondContact O-N 3.02Å
508M97.3Very high97.1Very high0 Ų041.9 Ų41.90%021%0.206CC..  trans-86.8155.1176.3-65.9-171.8169.200111.9I502 Y506 V512 L516 A528 S531 W538 L541 I552I502-M508 HydrophobicContact CG2-CB 4.22Å; I502-M508 HydrophobicContact CG2-CG 4.2Å; I502-M508 HydrophobicContact CG2-SD 3.6Å; I502-M508 VanDerWaalsContact CG2-SD 3.6Å; Y506-M508 VanDerWaalsContact C-N 3.32Å; Y506-M508 PolarHBondContact O-N 3.39Å; M508-V512 HydrophobicContact SD-CG1 4.18Å; M508-L516 HydrophobicContact SD-CD1 3.93Å; M508-A528 HydrophobicContact CE-CB 3.84Å; M508-A528 HydrophobicContact SD-CB 4.31Å; M508-S531 VanDerWaalsContact CE-OG 3.28Å; M508-S531 WeakPolarHBondContact CE-OG 3.26Å; M508-W538 VanDerWaalsContact O-CZ2 3.3Å; M508-W538 WeakPolarHBondContact O-CZ2 3.49Å; M508-L541 HydrophobicContact CE-CB 3.77Å; M508-L541 HydrophobicContact CG-CB 4.01Å; M508-I552 HydrophobicContact CE-CD1 4.29Å
509D96.7Very high97.1Very high40 Ų4042.2 Ų42.221%0.21421%0.208CC..  trans-61.4150.4171.2-78.8-31.2000111.9D511 V512 A513 W538 P539 K544D509-D511 VanDerWaalsContact C-N 3.32Å; D509-D511 WeakPolarHBondContact CB-OD1 3.34Å; D509-D511 PolarHBondContact O-N 3.48Å; D509-V512 HydrophobicContact CB-CB 4.49Å; D509-V512 HydrophobicContact CB-CG2 4.25Å; D509-V512 PolarHBondContact O-N 2.84Å; D509-A513 WeakPolarHBondContact O-CB 3.45Å; D509-A513 PolarHBondContact O-N 2.88Å; D509-W538 PolarHBondContact OD1-NE1 2.75Å; D509-P539 WeakPolarHBondContact OD2-CG 3.41Å; D509-K544 IonicContact OD2-NZ 2.99Å
510V97.4Very high97.1Very high59 Ų5940.4 Ų40.436%0.35820%0.2SC..Hα-helixtrans-65-35.8-175.5178.60000112.1F499 V503 R514F499-V510 HydrophobicContact CD2-CG1 4.39Å; F499-V510 HydrophobicContact CE2-CG1 4.24Å; V503-V510 HydrophobicContact CG2-CG2 4.16Å; V510-R514 WeakPolarHBondContact O-CB 3.03Å; V510-R514 VanDerWaalsContact O-CG 3.28Å; V510-R514 WeakPolarHBondContact O-CG 3.41Å; V510-R514 PolarHBondContact O-N 2.86Å
511D96.5Very high97.1Very high64 Ų6437.3 Ų37.334%0.34218%0.184SC..Hα-helixtrans-67-44.4176.962.5-22000111.4D509 R514 H515 K544 P550D509-D511 VanDerWaalsContact C-N 3.32Å; D509-D511 WeakPolarHBondContact CB-OD1 3.34Å; D509-D511 PolarHBondContact O-N 3.48Å; D511-R514 PolarHBondContact O-N 3.34Å; D511-H515 WeakPolarHBondContact O-CB 3.27Å; D511-H515 PolarHBondContact O-N 3.07Å; D511-K544 IonicContact OD1-NZ 3.43Å; D511-K544 IonicContact OD2-NZ 3.68Å; D511-K544 PolarHBondContact OD2-NZ 2.99Å; D511-P550 HydrophobicContact CB-CB 4.27Å
512V97.8Very high97.1Very high0 Ų035 Ų350%017%0.174CC..Hα-helixtrans-60.1-50.5173.6175.10000110.6M508 D509 R514 H515 L516 K544 P550 I552M508-V512 HydrophobicContact SD-CG1 4.18Å; D509-V512 HydrophobicContact CB-CB 4.49Å; D509-V512 HydrophobicContact CB-CG2 4.25Å; D509-V512 PolarHBondContact O-N 2.84Å; V512-R514 VanDerWaalsContact C-N 3.33Å; V512-R514 PolarHBondContact O-N 3.08Å; V512-H515 WeakPolarHBondContact O-CB 3.37Å; V512-H515 PolarHBondContact O-N 2.92Å; V512-L516 HydrophobicContact CG1-CD1 4.02Å; V512-L516 HydrophobicContact CG1-CG 4.27Å; V512-L516 WeakPolarHBondContact O-CG 3.48Å; V512-L516 PolarHBondContact O-N 3.31Å; V512-K544 VanDerWaalsContact CG2-CE 3.47Å; V512-K544 HydrophobicContact CG2-CG 4.32Å; V512-P550 HydrophobicContact CG2-CB 4.21Å; V512-I552 HydrophobicContact CG1-CD1 4.41Å; V512-I552 HydrophobicContact CG1-CG2 3.6Å; V512-I552 HydrophobicContact CG2-CG2 4.1Å
513A98.2Very high97.1Very high0 Ų036 Ų360%018%0.178CC..Hα-helixtrans-61.6-39.7-179.600000112.6F499 I502 V503 D509 T517F499-A513 HydrophobicContact CB-CB 4.07Å; I502-A513 HydrophobicContact CB-CB 4.02Å; I502-A513 HydrophobicContact CG2-CB 3.89Å; V503-A513 HydrophobicContact CG2-CB 3.58Å; D509-A513 WeakPolarHBondContact O-CB 3.45Å; D509-A513 PolarHBondContact O-N 2.88Å; A513-T517 WeakPolarHBondContact O-CG2 3.35Å; A513-T517 PolarHBondContact O-N 2.77Å; A513-T517 VanDerWaalsContact O-N 3.1Å; A513-T517 PolarHBondContact O-OG1 2.69Å
514R97.1Very high97.1Very high146 Ų14634.7 Ų34.755%0.55117%0.17SC*.Hα-helixtrans-67.4-41.3174.8-77.1177.5-179147.42.8112.2F499 V510 D511 V512 T517 G518F499-R514 HydrophobicContact CB-CG 4.07Å; F499-R514 HydrophobicContact CD1-CG 4.35Å; F499-R514 HydrophobicContact CD2-CG 3.79Å; F499-R514 HydrophobicContact CE2-CG 4.36Å; F499-R514 HydrophobicContact CG-CG 3.79Å; V510-R514 WeakPolarHBondContact O-CB 3.03Å; V510-R514 VanDerWaalsContact O-CG 3.28Å; V510-R514 WeakPolarHBondContact O-CG 3.41Å; V510-R514 PolarHBondContact O-N 2.86Å; D511-R514 PolarHBondContact O-N 3.34Å; V512-R514 VanDerWaalsContact C-N 3.33Å; V512-R514 PolarHBondContact O-N 3.08Å; R514-T517 PolarHBondContact O-OG1 3.19Å; R514-G518 PolarHBondContact O-N 2.76Å
515H97.1Very high97.1Very high22 Ų2229.8 Ų29.810%0.10215%0.148CC..Hα-helixtrans-58.8-54.6174.5166.465.1000111D511 V512 T517 G518 I519 P550 F551 E555D511-H515 WeakPolarHBondContact O-CB 3.27Å; D511-H515 PolarHBondContact O-N 3.07Å; V512-H515 WeakPolarHBondContact O-CB 3.37Å; V512-H515 PolarHBondContact O-N 2.92Å; H515-T517 PolarHBondContact O-N 3.16Å; H515-G518 PolarHBondContact O-N 3.13Å; H515-G518 VanDerWaalsContact O-N 3.11Å; H515-I519 VanDerWaalsContact CE1-CG1 3.48Å; H515-I519 WeakPolarHBondContact CE1-CG1 3.24Å; H515-I519 WeakPolarHBondContact O-CG1 3.22Å; H515-I519 PolarHBondContact O-N 3.48Å; H515-P550 HydrophobicContact CB-CB 3.79Å; H515-P550 HydrophobicContact CB-CG 3.77Å; H515-P550 PolarHBondContact CD2-O 3.16Å; H515-P550 VanDerWaalsContact CD2-O 3.31Å; H515-F551 AromaticContact CD2-CD1 3.96Å; H515-F551 AromaticContact CE1-CD1 3.41Å; H515-F551 VanDerWaalsContact CE1-CD1 3.41Å; H515-F551 WeakPolarHBondContact CE1-CD1 3.45Å; H515-F551 AromaticContact CE1-CE1 3.32Å; H515-F551 WeakPolarHBondContact CE1-CE1 3.47Å; H515-F551 AromaticContact ND1-CD1 3.97Å; H515-F551 AromaticContact ND1-CE1 3.67Å; H515-F551 AromaticContact NE2-CD1 3.42Å; H515-F551 WeakPolarHBondContact NE2-CD1 3.44Å; H515-F551 AromaticContact NE2-CE1 3.85Å; H515-E555 IonicContact CD2-OE1 3.38Å; H515-E555 IonicContact CD2-OE2 2.69Å; H515-E555 IonicContact CE1-OE2 3.16Å; H515-E555 IonicContact NE2-OE1 2.77Å; H515-E555 PolarHBondContact NE2-OE1 3.09Å; H515-E555 IonicContact NE2-OE2 3.76Å; H515-E555 PolarHBondContact NE2-OE2 3.44Å
516L98.2Very high97.1Very high0 Ų026.6 Ų26.60%014%0.137CC..Hα-helixtrans-58.3-47.2-177.8-68179000111.8M508 V512 G518 I519 Y520 A524 I527 I552 E555M508-L516 HydrophobicContact SD-CD1 3.93Å; V512-L516 HydrophobicContact CG1-CD1 4.02Å; V512-L516 HydrophobicContact CG1-CG 4.27Å; V512-L516 WeakPolarHBondContact O-CG 3.48Å; V512-L516 PolarHBondContact O-N 3.31Å; L516-G518 VanDerWaalsContact C-N 3.32Å; L516-G518 PolarHBondContact O-N 3.24Å; L516-I519 PolarHBondContact O-N 3.38Å; L516-Y520 HydrophobicContact CD2-CD2 4.12Å; L516-Y520 HydrophobicContact CD2-CE2 4.2Å; L516-Y520 WeakPolarHBondContact O-CA 3.34Å; L516-Y520 WeakPolarHBondContact O-CB 3.42Å; L516-Y520 PolarHBondContact O-N 2.83Å; L516-A524 HydrophobicContact CB-CB 3.81Å; L516-I527 HydrophobicContact CD1-CG2 4.3Å; L516-I527 HydrophobicContact CD2-CD1 4.31Å; L516-I527 HydrophobicContact CD2-CG2 3.89Å; L516-I552 HydrophobicContact CD1-CD1 3.95Å; L516-I552 HydrophobicContact CD2-CD1 4.34Å; L516-I552 HydrophobicContact CD2-CG1 4.38Å; L516-E555 HydrophobicContact CD2-CG 3.67Å
517T97.8Very high97.1Very high9 Ų924.9 Ų24.96%0.05513%0.13CC..Hα-helixtrans-71.5-25.6179.854.70000113.6W494 L498 F499 I502 A513 R514 H515 G521 A524W494-T517 VanDerWaalsContact CD1-O 3.3Å; W494-T517 PolarHBondContact NE1-O 3.37Å; L498-T517 HydrophobicContact CB-CG2 3.99Å; L498-T517 HydrophobicContact CD2-CG2 3.87Å; L498-T517 HydrophobicContact CG-CG2 3.68Å; F499-T517 HydrophobicContact CB-CG2 4.24Å; I502-T517 HydrophobicContact CD1-CG2 3.47Å; I502-T517 VanDerWaalsContact CD1-CG2 3.47Å; I502-T517 HydrophobicContact CG1-CG2 4.38Å; A513-T517 WeakPolarHBondContact O-CG2 3.35Å; A513-T517 PolarHBondContact O-N 2.77Å; A513-T517 VanDerWaalsContact O-N 3.1Å; A513-T517 PolarHBondContact O-OG1 2.69Å; R514-T517 PolarHBondContact O-OG1 3.19Å; H515-T517 PolarHBondContact O-N 3.16Å; T517-G521 WeakPolarHBondContact O-CA 3.39Å; T517-G521 PolarHBondContact O-N 3.08Å; T517-A524 HydrophobicContact CG2-CB 3.83Å
518G96.1Very high97.1Very high22 Ų2224.6 Ų24.623%0.22713%0.128CC..Hα-helixtrans-72.6-42.7172.300000112.5H158 L159 R514 H515 L516H158-G518 CarbonylContact C-O 3.58Å; H158-G518 VanDerWaalsContact C-O 3.25Å; H158-G518 PolarHBondContact CD2-O 2.75Å; L159-G518 WeakPolarHBondContact CD2-O 3.3Å; R514-G518 PolarHBondContact O-N 2.76Å; H515-G518 PolarHBondContact O-N 3.13Å; H515-G518 VanDerWaalsContact O-N 3.11Å; L516-G518 VanDerWaalsContact C-N 3.32Å; L516-G518 PolarHBondContact O-N 3.24Å
519I97.3Very high97.1Very high14 Ų1429.6 Ų29.67%0.07215%0.154CC..Hα-helixtrans-89.3-36.9-173.9-61.6-53.3000113.2L159 E229 R232 M365 H515 L516L159-I519 WeakPolarHBondContact CD2-O 3.42Å; E229-I519 HydrophobicContact CB-CD1 4.39Å; E229-I519 HydrophobicContact CG-CD1 4.05Å; R232-I519 HydrophobicContact CG-CG2 3.95Å; R232-I519 WeakPolarHBondContact CG-O 3.27Å; R232-I519 PolarHBondContact NE-O 2.96Å; M365-I519 HydrophobicContact CE-CD1 3.89Å; H515-I519 VanDerWaalsContact CE1-CG1 3.48Å; H515-I519 WeakPolarHBondContact CE1-CG1 3.24Å; H515-I519 WeakPolarHBondContact O-CG1 3.22Å; H515-I519 PolarHBondContact O-N 3.48Å; L516-I519 PolarHBondContact O-N 3.38Å
520Y98.1Very high97Very high0 Ų029.5 Ų29.50%015%0.153CC..THydrogen-bonded Turntrans-109.2-8.1-173.6-61.8-83000113.3R232 G490 L516 D522 K523 I527 E555 Y558R232-Y520 VanDerWaalsContact NH2-CD1 3.31Å; G490-Y520 WeakPolarHBondContact CA-O 3.42Å; L516-Y520 HydrophobicContact CD2-CD2 4.12Å; L516-Y520 HydrophobicContact CD2-CE2 4.2Å; L516-Y520 WeakPolarHBondContact O-CA 3.34Å; L516-Y520 WeakPolarHBondContact O-CB 3.42Å; L516-Y520 PolarHBondContact O-N 2.83Å; Y520-D522 PolarHBondContact O-N 2.99Å; Y520-K523 WeakPolarHBondContact O-CB 3.34Å; Y520-K523 PolarHBondContact O-N 3.31Å; Y520-I527 HydrophobicContact CD1-CD1 3.47Å; Y520-I527 VanDerWaalsContact CD1-CD1 3.47Å; Y520-I527 HydrophobicContact CD2-CD1 3.39Å; Y520-I527 HydrophobicContact CE1-CD1 3.74Å; Y520-I527 HydrophobicContact CE2-CD1 3.66Å; Y520-I527 HydrophobicContact CG-CD1 3.27Å; Y520-E555 HydrophobicContact CE2-CG 3.93Å; Y520-E555 WeakPolarHBondContact CE2-OE2 3.35Å; Y520-E555 PolarHBondContact OH-OE2 2.9Å; Y520-Y558 AromaticContact CD1-CD1 3.8Å; Y520-Y558 HydrophobicContact CD1-CD1 3.8Å; Y520-Y558 AromaticContact CD1-CE1 3.68Å; Y520-Y558 HydrophobicContact CD1-CE1 3.68Å; Y520-Y558 AromaticContact CE1-CD1 3.6Å; Y520-Y558 HydrophobicContact CE1-CD1 3.6Å; Y520-Y558 AromaticContact CE1-CE1 3.91Å; Y520-Y558 HydrophobicContact CE1-CE1 3.91Å
521G97.3Very high97Very high0 Ų027.4 Ų27.40%014%0.141CC..G310 helixtrans61.7-130.2-179.200000111.2H158 G490 L498 T517 K523 A524H158-G521 PolarHBondContact CD2-N 2.86Å; G490-G521 CarbonylContact O-C 3.53Å; G490-G521 WeakPolarHBondContact O-CA 3.29Å; L498-G521 WeakPolarHBondContact CD2-O 3.14Å; T517-G521 WeakPolarHBondContact O-CA 3.39Å; T517-G521 PolarHBondContact O-N 3.08Å; G521-K523 PolarHBondContact O-N 2.85Å; G521-A524 WeakPolarHBondContact O-CB 3.29Å; G521-A524 PolarHBondContact O-N 3.02Å
522D96Very high96.9Very high20 Ų2030.3 Ų30.311%0.10715%0.151CC..G310 helixtrans-64.3-21.8174.762.220.3000114.3G490 H492 G493 Y520 A524 I525G490-D522 VanDerWaalsContact CA-OD1 3.28Å; G490-D522 WeakPolarHBondContact CA-OD1 3.49Å; G490-D522 PolarHBondContact O-N 3.03Å; H492-D522 PolarHBondContact N-OD2 2.9Å; G493-D522 PolarHBondContact N-OD2 3.2Å; Y520-D522 PolarHBondContact O-N 2.99Å; D522-A524 PolarHBondContact O-N 2.59Å; D522-I525 PolarHBondContact O-N 3.2Å
523K96.9Very high96.8Very high20 Ų2036.5 Ų36.59%0.08718%0.183CC..G310 helixtrans-72.1-10.3176.7-55.6-64.5171.8-88.70112.8F55 E489 Y520 G521 I525 T526 I527 Y558F55-K523 WeakPolarHBondContact O-CE 3.46Å; F55-K523 PolarHBondContact O-NZ 2.76Å; E489-K523 WeakPolarHBondContact OE1-CE 3.46Å; Y520-K523 WeakPolarHBondContact O-CB 3.34Å; Y520-K523 PolarHBondContact O-N 3.31Å; G521-K523 PolarHBondContact O-N 2.85Å; K523-I525 PolarHBondContact O-N 3.3Å; K523-T526 WeakPolarHBondContact O-CB 3.48Å; K523-T526 PolarHBondContact O-N 3.11Å; K523-I527 PolarHBondContact O-N 2.74Å; K523-I527 VanDerWaalsContact O-N 3.14Å; K523-Y558 HydrophobicContact CB-CE1 4.42Å; K523-Y558 WeakPolarHBondContact CB-OH 3.45Å; K523-Y558 WeakPolarHBondContact CG-OH 3.45Å
524A97.6Very high96.6Very high0 Ų038 Ų380%019%0.192CC..Hα-helixtrans-55.8-33.3170.100000112.6I502 L516 T517 G521 D522 I527 A528I502-A524 HydrophobicContact CD1-CB 3.56Å; L516-A524 HydrophobicContact CB-CB 3.81Å; T517-A524 HydrophobicContact CG2-CB 3.83Å; G521-A524 WeakPolarHBondContact O-CB 3.29Å; G521-A524 PolarHBondContact O-N 3.02Å; D522-A524 PolarHBondContact O-N 2.59Å; A524-I527 PolarHBondContact O-N 3.43Å; A524-A528 WeakPolarHBondContact O-CB 3.46Å; A524-A528 PolarHBondContact O-N 3.12Å
525I96.3Very high96.4Very high47 Ų4734.8 Ų34.824%0.24120%0.204CC..Hα-helixtrans-64.3-43.3175.6-59.9174.2000110.5L498 D522 K523 I527 A528 N529L498-I525 HydrophobicContact CD1-CD1 4.08Å; L498-I525 HydrophobicContact CD1-CG1 4.31Å; D522-I525 PolarHBondContact O-N 3.2Å; K523-I525 PolarHBondContact O-N 3.3Å; I525-I527 VanDerWaalsContact C-N 3.31Å; I525-I527 PolarHBondContact O-N 3.15Å; I525-A528 PolarHBondContact O-N 3.19Å; I525-N529 PolarHBondContact O-N 3.14Å; I525-N529 PolarHBondContact O-ND2 2.81Å
526T96Very high96.2Very high54 Ų5439 Ų3933%0.33123%0.228SC..Hα-helixtrans-60-43.5175.7-540000110.7K523 N529 M530 Y558K523-T526 WeakPolarHBondContact O-CB 3.48Å; K523-T526 PolarHBondContact O-N 3.11Å; T526-N529 PolarHBondContact O-N 3.09Å; T526-M530 HydrophobicContact CG2-CE 4.34Å; T526-M530 HydrophobicContact CG2-SD 4.25Å; T526-M530 VanDerWaalsContact O-CG 3.23Å; T526-M530 WeakPolarHBondContact O-CG 3.32Å; T526-M530 PolarHBondContact O-N 3.1Å; T526-Y558 HydrophobicContact CG2-CD2 4.45Å; T526-Y558 HydrophobicContact CG2-CE2 4.05Å
527I97.4Very high96Very high0 Ų050.7 Ų50.70%027%0.271CS..Hα-helixtrans-65.2-40.3177-60.7170.1000111.5L516 Y520 K523 A524 I525 N529 M530 S531 I552 A554 E555 Y558L516-I527 HydrophobicContact CD1-CG2 4.3Å; L516-I527 HydrophobicContact CD2-CD1 4.31Å; L516-I527 HydrophobicContact CD2-CG2 3.89Å; Y520-I527 HydrophobicContact CD1-CD1 3.47Å; Y520-I527 VanDerWaalsContact CD1-CD1 3.47Å; Y520-I527 HydrophobicContact CD2-CD1 3.39Å; Y520-I527 HydrophobicContact CE1-CD1 3.74Å; Y520-I527 HydrophobicContact CE2-CD1 3.66Å; Y520-I527 HydrophobicContact CG-CD1 3.27Å; K523-I527 PolarHBondContact O-N 2.74Å; K523-I527 VanDerWaalsContact O-N 3.14Å; A524-I527 PolarHBondContact O-N 3.43Å; I525-I527 VanDerWaalsContact C-N 3.31Å; I525-I527 PolarHBondContact O-N 3.15Å; I527-N529 PolarHBondContact O-N 2.9Å; I527-M530 HydrophobicContact CB-CE 4.33Å; I527-M530 HydrophobicContact CG1-CE 4.05Å; I527-M530 PolarHBondContact O-N 3.35Å; I527-S531 PolarHBondContact O-N 2.95Å; I527-S531 PolarHBondContact O-OG 2.89Å; I527-I552 HydrophobicContact CG2-CD1 4.05Å; I527-A554 HydrophobicContact CG2-CB 3.98Å; I527-E555 HydrophobicContact CG2-CG 4.14Å; I527-Y558 HydrophobicContact CD1-CD1 3.73Å; I527-Y558 HydrophobicContact CD1-CE1 4.22Å; I527-Y558 HydrophobicContact CD1-CG 3.96Å; I527-Y558 HydrophobicContact CG1-CD1 3.94Å; I527-Y558 HydrophobicContact CG1-CD2 3.96Å; I527-Y558 HydrophobicContact CG1-CE1 4.47Å; I527-Y558 HydrophobicContact CG1-CE2 4.49Å; I527-Y558 HydrophobicContact CG1-CG 3.65Å
528A97.1Very high95.8Very high0 Ų056.4 Ų56.40%029%0.292CS..Hα-helixtrans-61.7-43175.900000112.1I502 Y506 M508 A524 I525 M530 S531I502-A528 HydrophobicContact CG2-CB 4.34Å; Y506-A528 HydrophobicContact CD1-CB 3.71Å; Y506-A528 HydrophobicContact CD2-CB 4.01Å; Y506-A528 HydrophobicContact CE1-CB 3.84Å; Y506-A528 HydrophobicContact CE2-CB 4.14Å; Y506-A528 HydrophobicContact CG-CB 3.78Å; M508-A528 HydrophobicContact CE-CB 3.84Å; M508-A528 HydrophobicContact SD-CB 4.31Å; A524-A528 WeakPolarHBondContact O-CB 3.46Å; A524-A528 PolarHBondContact O-N 3.12Å; I525-A528 PolarHBondContact O-N 3.19Å; A528-M530 VanDerWaalsContact C-N 3.29Å; A528-M530 PolarHBondContact O-N 2.86Å; A528-S531 WeakPolarHBondContact O-CB 3.42Å; A528-S531 PolarHBondContact O-N 2.97Å
529N96.2Very high95.8Very high104 Ų10456.2 Ų56.256%0.55629%0.287SS*.Hα-helixtrans-62.3-32.1176-75.7-35.3000113.8Y506 I525 T526 I527 S531Y506-N529 WeakPolarHBondContact CE1-OD1 3.43Å; Y506-N529 PolarHBondContact OH-OD1 2.96Å; I525-N529 PolarHBondContact O-N 3.14Å; I525-N529 PolarHBondContact O-ND2 2.81Å; T526-N529 PolarHBondContact O-N 3.09Å; I527-N529 PolarHBondContact O-N 2.9Å; N529-S531 VanDerWaalsContact C-N 3.32Å
530M95.5Very high95.8Very high38 Ų3859.1 Ų59.119%0.18730%0.302CS..Hα-helixtrans-84.6-8.9179.6-61.7179.1-5000113T526 I527 A528 Y558 R561T526-M530 HydrophobicContact CG2-CE 4.34Å; T526-M530 HydrophobicContact CG2-SD 4.25Å; T526-M530 VanDerWaalsContact O-CG 3.23Å; T526-M530 WeakPolarHBondContact O-CG 3.32Å; T526-M530 PolarHBondContact O-N 3.1Å; I527-M530 HydrophobicContact CB-CE 4.33Å; I527-M530 HydrophobicContact CG1-CE 4.05Å; I527-M530 PolarHBondContact O-N 3.35Å; A528-M530 VanDerWaalsContact C-N 3.29Å; A528-M530 PolarHBondContact O-N 2.86Å; M530-Y558 HydrophobicContact CE-CD2 3.45Å; M530-Y558 VanDerWaalsContact CE-CD2 3.45Å; M530-Y558 HydrophobicContact CE-CE2 4.48Å; M530-Y558 HydrophobicContact CE-CG 3.97Å; M530-Y558 HydrophobicContact SD-CD2 4.44Å; M530-R561 VanDerWaalsContact SD-CZ 3.51Å; M530-R561 PolarHBondContact SD-NH1 3.12Å; M530-R561 VanDerWaalsContact SD-NH1 3.42Å
531S96.8Very high95.7Very high15 Ų1560.3 Ų60.311%0.10531%0.308CS..PPolyproline II helixtrans-70.2137-174.3-68.10000111.9M508 I527 A528 N529 L541 I552 A554M508-S531 VanDerWaalsContact CE-OG 3.28Å; M508-S531 WeakPolarHBondContact CE-OG 3.26Å; I527-S531 PolarHBondContact O-N 2.95Å; I527-S531 PolarHBondContact O-OG 2.89Å; A528-S531 WeakPolarHBondContact O-CB 3.42Å; A528-S531 PolarHBondContact O-N 2.97Å; N529-S531 VanDerWaalsContact C-N 3.32Å; S531-L541 WeakPolarHBondContact O-CD2 3.19Å; S531-I552 WeakPolarHBondContact OG-CD1 3.27Å; S531-A554 WeakPolarHBondContact OG-CB 3.3Å
532K93.5Very high95.6Very high125 Ų12560.5 Ų60.554%0.54331%0.31SS..PPolyproline II helixtrans-82.7154.1175-62.8178.8-177.9174.60110.7L541K532-L541 WeakPolarHBondContact O-CD2 3.32Å
533L95.7Very high95.6Very high131 Ų13163.9 Ų63.969%0.68632%0.323SS*.BIsolated β-bridgetrans-59.1137.5172.7-68.9171.8000110.9G535 I540 L541L533-G535 VanDerWaalsContact C-N 3.34Å; L533-I540 HydrophobicContact CD2-CG2 3.74Å; L533-L541 HydrophobicContact CD2-CD2 3.87Å; L533-L541 HydrophobicContact CG-CD2 4.37Å
534T94.8Very high95.6Very high31 Ų3165.5 Ų65.519%0.1933%0.33CS..  trans-76.7-23.2176.962.30000112.6L536 P539 I540 K543T534-L536 VanDerWaalsContact C-N 3.25Å; T534-L536 PolarHBondContact OG1-N 3.46Å; T534-P539 WeakPolarHBondContact CB-O 3.49Å; T534-P539 HydrophobicContact CG2-CG 4.41Å; T534-P539 WeakPolarHBondContact CG2-O 3.32Å; T534-P539 PolarHBondContact OG1-O 2.97Å; T534-I540 PolarHBondContact N-O 2.76Å; T534-I540 PolarHBondContact OG1-O 3.12Å; T534-K543 HydrophobicContact CG2-CB 4.3Å
535G93.6Very high95.6Very high78 Ų7866.3 Ų66.380%0.80434%0.335SS*.SBendtrans80.12.5-169.100000114.1L533L533-G535 VanDerWaalsContact C-N 3.34Å
536L93.1Very high95.6Very high112 Ų11264.6 Ų64.659%0.58633%0.326SS*.SBendtrans-97.2159.7176.8-57.2176.1000110.7T534 W538T534-L536 VanDerWaalsContact C-N 3.25Å; T534-L536 PolarHBondContact OG1-N 3.46Å; L536-W538 VanDerWaalsContact C-N 3.27Å
537R93.1Very high95.5Very high244 Ų24467.1 Ų67.192%0.92134%0.343SS*.SBendtrans-65.2-35.7168.7-176.9178.2176.1175.2-0111.5
538W93.8Very high95.3Very high129 Ų12973.5 Ų73.549%0.48937%0.373SS..SBendtrans-156.1140174.3-174.2-86000109.7V503 M508 D509 L536V503-W538 HydrophobicContact CG1-CH2 4.1Å; V503-W538 HydrophobicContact CG1-CZ2 4.33Å; M508-W538 VanDerWaalsContact O-CZ2 3.3Å; M508-W538 WeakPolarHBondContact O-CZ2 3.49Å; D509-W538 PolarHBondContact OD1-NE1 2.75Å; L536-W538 VanDerWaalsContact C-N 3.27Å
539P96.3Very high95.3Very high18 Ų1873.7 Ų73.712%0.11737%0.374CS..SBendcis-65.4149.9-13.330.9-37.4000111G507 D509 T534G507-P539 CarbonylContact O-C 3.6Å; G507-P539 WeakPolarHBondContact O-CA 3.49Å; G507-P539 WeakPolarHBondContact O-CB 3.41Å; D509-P539 WeakPolarHBondContact OD2-CG 3.41Å; T534-P539 WeakPolarHBondContact CB-O 3.49Å; T534-P539 HydrophobicContact CG2-CG 4.41Å; T534-P539 WeakPolarHBondContact CG2-O 3.32Å; T534-P539 PolarHBondContact OG1-O 2.97Å
540I96.1Very high95.3Very high76 Ų7670 Ų7039%0.3936%0.356SS..SBendtrans-75.3-44.8-179.3-58.4176000110.4G507 L533 T534G507-I540 PolarHBondContact O-N 3.02Å; L533-I540 HydrophobicContact CD2-CG2 3.74Å; T534-I540 PolarHBondContact N-O 2.76Å; T534-I540 PolarHBondContact OG1-O 3.12Å
541L96.9Very high95.5Very high25 Ų2568.4 Ų68.413%0.13135%0.347CS..BIsolated β-bridgetrans-120.3166.8177.4-65.4179.1000110.4Y506 M508 S531 K532 L533Y506-L541 HydrophobicContact CD1-CD1 3.94Å; M508-L541 HydrophobicContact CE-CB 3.77Å; M508-L541 HydrophobicContact CG-CB 4.01Å; S531-L541 WeakPolarHBondContact O-CD2 3.19Å; K532-L541 WeakPolarHBondContact O-CD2 3.32Å; L533-L541 HydrophobicContact CD2-CD2 3.87Å; L533-L541 HydrophobicContact CG-CD2 4.37Å
542G95.2Very high95.5Very high3 Ų367.7 Ų67.73%0.03134%0.343CS..  trans89.553.9177.100000112.9K544 I552G542-K544 PolarHBondContact O-N 2.88Å; G542-K544 VanDerWaalsContact O-N 3.1Å; G542-I552 WeakPolarHBondContact O-CG2 3.47Å
543K96.4Very high95.7Very high91 Ų9162.7 Ų62.740%0.39632%0.321SS..  trans-61.4113173.3-172.5176.9176-145.50109.9T534 I552 E553T534-K543 HydrophobicContact CG2-CB 4.3Å; K543-I552 CarbonylContact O-C 3.54Å; K543-I552 VanDerWaalsContact O-CA 3.24Å; K543-I552 WeakPolarHBondContact O-CA 3.36Å; K543-I552 WeakPolarHBondContact O-CB 3.45Å; K543-E553 HydrophobicContact CB-CG 4.47Å; K543-E553 HydrophobicContact CD-CG 4.5Å; K543-E553 WeakPolarHBondContact CD-OE1 3.38Å; K543-E553 VanDerWaalsContact CE-OE1 3.23Å; K543-E553 WeakPolarHBondContact CE-OE1 3.05Å; K543-E553 HydrophobicContact CG-CG 4.41Å; K543-E553 IonicContact NZ-OE1 3.25Å; K543-E553 PolarHBondContact NZ-OE1 2.72Å; K543-E553 IonicContact NZ-OE2 2.65Å; K543-E553 PolarHBondContact O-N 3.14Å
544K97Very high95.8Very high54 Ų5457 Ų5724%0.23529%0.293CS..BIsolated β-bridgetrans-69.2145.6-178.7-67.2177.4170.8-178.20111.6D509 D511 V512 G542 F549 F551 I552D509-K544 IonicContact OD2-NZ 2.99Å; D511-K544 IonicContact OD1-NZ 3.43Å; D511-K544 IonicContact OD2-NZ 3.68Å; D511-K544 PolarHBondContact OD2-NZ 2.99Å; V512-K544 VanDerWaalsContact CG2-CE 3.47Å; V512-K544 HydrophobicContact CG2-CG 4.32Å; G542-K544 PolarHBondContact O-N 2.88Å; G542-K544 VanDerWaalsContact O-N 3.1Å; K544-F549 WeakPolarHBondContact CD-O 3.36Å; K544-F551 CarbonylContact C-O 3.56Å; K544-F551 VanDerWaalsContact CA-O 3.27Å; K544-F551 WeakPolarHBondContact CA-O 3.43Å; K544-I552 HydrophobicContact CG-CG2 4.46Å
545L97.2Very high96Very high18 Ų1855.5 Ų55.59%0.09428%0.284CS..SBendtrans-75.9-31.3172-72.1168000112.2F551 E553 V556 F570 R591 I592 L595L545-F551 HydrophobicContact CD1-CB 4.3Å; L545-F551 PolarHBondContact N-O 3.28Å; L545-E553 HydrophobicContact CD2-CG 3.95Å; L545-V556 HydrophobicContact CD1-CG2 3.97Å; L545-V556 HydrophobicContact CD2-CG2 4.2Å; L545-F570 HydrophobicContact CD1-CE1 3.48Å; L545-F570 VanDerWaalsContact CD1-CE1 3.48Å; L545-F570 HydrophobicContact CD1-CZ 3.62Å; L545-R591 HydrophobicContact CD2-CG 4.12Å; L545-I592 HydrophobicContact CD1-CD1 4.41Å; L545-I592 HydrophobicContact CD1-CG1 4.15Å; L545-I592 HydrophobicContact CD2-CG1 3.98Å; L545-L595 HydrophobicContact CD2-CD1 3.92Å
546H96.8Very high96.3Very high11 Ų1151.8 Ų51.85%0.05125%0.246CC..SBendtrans-141.6136.7175.4-173.9-82.8000108.6E548 F549 E587H546-E548 VanDerWaalsContact C-N 3.26Å; H546-E548 IonicContact CE1-OE2 3.88Å; H546-E548 PolarHBondContact ND1-N 3.36Å; H546-E548 PolarHBondContact O-N 2.96Å; H546-F549 HydrophobicContact CB-CD2 4.22Å; H546-F549 AromaticContact ND1-CD2 3.49Å; H546-F549 WeakPolarHBondContact ND1-CD2 3.21Å; H546-F549 AromaticContact ND1-CE2 3.99Å; H546-F549 PolarHBondContact O-N 2.92Å; H546-F549 VanDerWaalsContact O-N 3.15Å; H546-F549 VanDerWaalsContact O-O 3.13Å; H546-E587 IonicContact CD2-OE2 3.87Å; H546-E587 IonicContact NE2-OE2 3.52Å; H546-E587 PolarHBondContact NE2-OE2 3.43Å; H546-E587 VanDerWaalsContact NE2-OE2 3.17Å
547P93.2Very high96.4Very high107 Ų10749.3 Ų49.370%0.69523%0.231SC*.THydrogen-bonded Turntrans-58.5-34.5-172.521.2-33.7000114.1
548E92.5Very high96.7Very high134 Ų13438.4 Ų38.463%0.62619%0.19SC*.THydrogen-bonded Turntrans-79.8-14.7-178.3-59.4-170.7158.500114.9H546H546-E548 VanDerWaalsContact C-N 3.26Å; H546-E548 IonicContact CE1-OE2 3.88Å; H546-E548 PolarHBondContact ND1-N 3.36Å; H546-E548 PolarHBondContact O-N 2.96Å
549F97.4Very high96.9Very high4 Ų432.2 Ų32.22%0.01817%0.167CC..SBendtrans-116.8145.7-172-68.7-90000112.2Y367 K544 H546 F551 L577 L580 N581 A584Y367-F549 AromaticContact CE2-CE1 3.77Å; Y367-F549 HydrophobicContact CE2-CE1 3.77Å; Y367-F549 HydrophobicContact CE2-CZ 4.43Å; Y367-F549 AromaticContact CZ-CE1 3.77Å; Y367-F549 AromaticContact CZ-CZ 3.98Å; Y367-F549 WeakPolarHBondContact OH-CE1 3.43Å; Y367-F549 WeakPolarHBondContact OH-CZ 3.47Å; K544-F549 WeakPolarHBondContact CD-O 3.36Å; H546-F549 HydrophobicContact CB-CD2 4.22Å; H546-F549 AromaticContact ND1-CD2 3.49Å; H546-F549 WeakPolarHBondContact ND1-CD2 3.21Å; H546-F549 AromaticContact ND1-CE2 3.99Å; H546-F549 PolarHBondContact O-N 2.92Å; H546-F549 VanDerWaalsContact O-N 3.15Å; H546-F549 VanDerWaalsContact O-O 3.13Å; F549-F551 HydrophobicContact CB-CD2 3.59Å; F549-F551 HydrophobicContact CB-CE2 3.81Å; F549-F551 HydrophobicContact CB-CG 4.27Å; F549-F551 HydrophobicContact CD1-CD2 4.35Å; F549-F551 AromaticContact CD1-CE2 3.68Å; F549-F551 HydrophobicContact CD1-CE2 3.68Å; F549-F551 HydrophobicContact CD1-CZ 4.26Å; F549-F551 HydrophobicContact CG-CD2 4.2Å; F549-F551 AromaticContact CG-CE2 3.99Å; F549-F551 HydrophobicContact CG-CE2 3.99Å; F549-F551 PolarHBondContact O-N 3Å; F549-L577 HydrophobicContact CB-CD1 4.4Å; F549-L577 HydrophobicContact CD1-CD1 3.74Å; F549-L577 HydrophobicContact CD2-CD1 3.62Å; F549-L577 HydrophobicContact CE1-CD1 3.84Å; F549-L577 HydrophobicContact CE2-CD1 3.78Å; F549-L577 HydrophobicContact CG-CD1 3.64Å; F549-L577 HydrophobicContact CZ-CD1 3.88Å; F549-L580 HydrophobicContact CD1-CD1 4.21Å; F549-L580 HydrophobicContact CE1-CB 3.93Å; F549-L580 HydrophobicContact CE1-CD1 4Å; F549-N581 HydrophobicContact CE2-CB 4.21Å; F549-N581 HydrophobicContact CZ-CB 3.59Å; F549-A584 HydrophobicContact CD2-CB 3.96Å; F549-A584 HydrophobicContact CE2-CB 3.33Å; F549-A584 HydrophobicContact CZ-CB 4.13Å
550P97Very high97Very high27 Ų2732 Ų3218%0.17517%0.165CC..  trans-79.719.2-177.735.5-37.7000113.6D511 V512 H515D511-P550 HydrophobicContact CB-CB 4.27Å; V512-P550 HydrophobicContact CG2-CB 4.21Å; H515-P550 HydrophobicContact CB-CB 3.79Å; H515-P550 HydrophobicContact CB-CG 3.77Å; H515-P550 PolarHBondContact CD2-O 3.16Å; H515-P550 VanDerWaalsContact CD2-O 3.31Å
551F98.1Very high97Very high3 Ų334 Ų341%0.01317%0.168CC..  trans-89.4128.8-177.9-49.2-42.3000110.5H515 K544 L545 F549 E555 T575 L577 L580H515-F551 AromaticContact CD2-CD1 3.96Å; H515-F551 AromaticContact CE1-CD1 3.41Å; H515-F551 VanDerWaalsContact CE1-CD1 3.41Å; H515-F551 WeakPolarHBondContact CE1-CD1 3.45Å; H515-F551 AromaticContact CE1-CE1 3.32Å; H515-F551 WeakPolarHBondContact CE1-CE1 3.47Å; H515-F551 AromaticContact ND1-CD1 3.97Å; H515-F551 AromaticContact ND1-CE1 3.67Å; H515-F551 AromaticContact NE2-CD1 3.42Å; H515-F551 WeakPolarHBondContact NE2-CD1 3.44Å; H515-F551 AromaticContact NE2-CE1 3.85Å; K544-F551 CarbonylContact C-O 3.56Å; K544-F551 VanDerWaalsContact CA-O 3.27Å; K544-F551 WeakPolarHBondContact CA-O 3.43Å; L545-F551 HydrophobicContact CD1-CB 4.3Å; L545-F551 PolarHBondContact N-O 3.28Å; F549-F551 HydrophobicContact CB-CD2 3.59Å; F549-F551 HydrophobicContact CB-CE2 3.81Å; F549-F551 HydrophobicContact CB-CG 4.27Å; F549-F551 HydrophobicContact CD1-CD2 4.35Å; F549-F551 AromaticContact CD1-CE2 3.68Å; F549-F551 HydrophobicContact CD1-CE2 3.68Å; F549-F551 HydrophobicContact CD1-CZ 4.26Å; F549-F551 HydrophobicContact CG-CD2 4.2Å; F549-F551 AromaticContact CG-CE2 3.99Å; F549-F551 HydrophobicContact CG-CE2 3.99Å; F549-F551 PolarHBondContact O-N 3Å; F551-E555 VanDerWaalsContact CA-OE1 3.27Å; F551-E555 WeakPolarHBondContact CA-OE1 3.11Å; F551-T575 HydrophobicContact CB-CG2 4.02Å; F551-T575 HydrophobicContact CD1-CG2 4.05Å; F551-T575 HydrophobicContact CD2-CG2 4.37Å; F551-T575 WeakPolarHBondContact CE1-O 3.29Å; F551-T575 HydrophobicContact CG-CG2 3.88Å; F551-T575 WeakPolarHBondContact CZ-O 3.29Å; F551-L577 HydrophobicContact CD2-CB 3.92Å; F551-L577 HydrophobicContact CD2-CD1 4.07Å; F551-L577 HydrophobicContact CD2-CD2 4.26Å; F551-L577 HydrophobicContact CD2-CG 4.29Å; F551-L577 HydrophobicContact CE2-CB 3.64Å; F551-L577 HydrophobicContact CE2-CD1 3.75Å; F551-L577 HydrophobicContact CE2-CG 4.17Å; F551-L580 HydrophobicContact CE2-CD1 4.31Å; F551-L580 HydrophobicContact CZ-CD1 3.85Å
552I98.2Very high97.1Very high1 Ų132.8 Ų32.81%0.00516%0.162CC..BIsolated β-bridgetrans-113.9157-172.464.7168.4000113.2M508 V512 L516 I527 S531 G542 K543 K544 A554 E555M508-I552 HydrophobicContact CE-CD1 4.29Å; V512-I552 HydrophobicContact CG1-CD1 4.41Å; V512-I552 HydrophobicContact CG1-CG2 3.6Å; V512-I552 HydrophobicContact CG2-CG2 4.1Å; L516-I552 HydrophobicContact CD1-CD1 3.95Å; L516-I552 HydrophobicContact CD2-CD1 4.34Å; L516-I552 HydrophobicContact CD2-CG1 4.38Å; I527-I552 HydrophobicContact CG2-CD1 4.05Å; S531-I552 WeakPolarHBondContact OG-CD1 3.27Å; G542-I552 WeakPolarHBondContact O-CG2 3.47Å; K543-I552 CarbonylContact O-C 3.54Å; K543-I552 VanDerWaalsContact O-CA 3.24Å; K543-I552 WeakPolarHBondContact O-CA 3.36Å; K543-I552 WeakPolarHBondContact O-CB 3.45Å; K544-I552 HydrophobicContact CG-CG2 4.46Å; I552-A554 HydrophobicContact CD1-CB 4Å; I552-A554 HydrophobicContact CG1-CB 4.32Å; I552-A554 PolarHBondContact O-N 2.91Å; I552-E555 HydrophobicContact CG1-CG 3.83Å; I552-E555 WeakPolarHBondContact CG1-OE1 3.34Å; I552-E555 PolarHBondContact N-OE1 3.33Å; I552-E555 WeakPolarHBondContact O-CB 3.4Å; I552-E555 PolarHBondContact O-N 3.47Å; I552-E555 VanDerWaalsContact O-N 3.08Å
553E98.1Very high97.2Very high19 Ų1932.9 Ų32.99%0.08916%0.161CC..Hα-helixtrans-57.3-33.7-179.2-63.9-168.3176.800113K543 L545 E555 V556 R591 L595K543-E553 HydrophobicContact CB-CG 4.47Å; K543-E553 HydrophobicContact CD-CG 4.5Å; K543-E553 WeakPolarHBondContact CD-OE1 3.38Å; K543-E553 VanDerWaalsContact CE-OE1 3.23Å; K543-E553 WeakPolarHBondContact CE-OE1 3.05Å; K543-E553 HydrophobicContact CG-CG 4.41Å; K543-E553 IonicContact NZ-OE1 3.25Å; K543-E553 PolarHBondContact NZ-OE1 2.72Å; K543-E553 IonicContact NZ-OE2 2.65Å; K543-E553 PolarHBondContact O-N 3.14Å; L545-E553 HydrophobicContact CD2-CG 3.95Å; E553-E555 VanDerWaalsContact C-N 3.25Å; E553-E555 PolarHBondContact O-N 3.41Å; E553-V556 VanDerWaalsContact O-CB 3.32Å; E553-V556 WeakPolarHBondContact O-CB 3.43Å; E553-V556 PolarHBondContact O-N 3.36Å; E553-V556 VanDerWaalsContact O-N 3.1Å; E553-R591 VanDerWaalsContact CD-NH2 3.29Å; E553-R591 IonicContact OE1-CZ 2.72Å; E553-R591 IonicContact OE1-NE 3.27Å; E553-R591 PolarHBondContact OE1-NE 3.39Å; E553-R591 IonicContact OE1-NH2 3.38Å; E553-R591 PolarHBondContact OE1-NH2 2.87Å; E553-R591 VanDerWaalsContact OE1-NH2 3.14Å; E553-R591 IonicContact OE2-CZ 3.29Å; E553-R591 IonicContact OE2-NE 3.87Å; E553-R591 IonicContact OE2-NH2 3.01Å; E553-R591 PolarHBondContact OE2-NH2 3.37Å; E553-L595 HydrophobicContact CB-CD1 3.7Å; E553-L595 HydrophobicContact CG-CD1 3.72Å
554A98.1Very high97.3Very high11 Ų1128.6 Ų28.69%0.09114%0.143CC..Hα-helixtrans-66.5-24.9-179.900000113.6I527 S531 I552 V556 E557 Y558I527-A554 HydrophobicContact CG2-CB 3.98Å; S531-A554 WeakPolarHBondContact OG-CB 3.3Å; I552-A554 HydrophobicContact CD1-CB 4Å; I552-A554 HydrophobicContact CG1-CB 4.32Å; I552-A554 PolarHBondContact O-N 2.91Å; A554-V556 PolarHBondContact O-N 3.13Å; A554-E557 PolarHBondContact O-N 2.86Å; A554-Y558 PolarHBondContact O-N 3.46Å; A554-Y558 VanDerWaalsContact O-N 3.15Å
555E98.5Very high97.4Very high0 Ų026.7 Ų26.70%014%0.136CC..Hα-helixtrans-66.4-29.3174.1-69.4173.7-106.700111.5H515 L516 Y520 I527 F551 I552 E553 Y558 A559 F570H515-E555 IonicContact CD2-OE1 3.38Å; H515-E555 IonicContact CD2-OE2 2.69Å; H515-E555 IonicContact CE1-OE2 3.16Å; H515-E555 IonicContact NE2-OE1 2.77Å; H515-E555 PolarHBondContact NE2-OE1 3.09Å; H515-E555 IonicContact NE2-OE2 3.76Å; H515-E555 PolarHBondContact NE2-OE2 3.44Å; L516-E555 HydrophobicContact CD2-CG 3.67Å; Y520-E555 HydrophobicContact CE2-CG 3.93Å; Y520-E555 WeakPolarHBondContact CE2-OE2 3.35Å; Y520-E555 PolarHBondContact OH-OE2 2.9Å; I527-E555 HydrophobicContact CG2-CG 4.14Å; F551-E555 VanDerWaalsContact CA-OE1 3.27Å; F551-E555 WeakPolarHBondContact CA-OE1 3.11Å; I552-E555 HydrophobicContact CG1-CG 3.83Å; I552-E555 WeakPolarHBondContact CG1-OE1 3.34Å; I552-E555 PolarHBondContact N-OE1 3.33Å; I552-E555 WeakPolarHBondContact O-CB 3.4Å; I552-E555 PolarHBondContact O-N 3.47Å; I552-E555 VanDerWaalsContact O-N 3.08Å; E553-E555 VanDerWaalsContact C-N 3.25Å; E553-E555 PolarHBondContact O-N 3.41Å; E555-Y558 PolarHBondContact O-N 3.37Å; E555-A559 WeakPolarHBondContact O-CB 3.46Å; E555-A559 PolarHBondContact O-N 2.53Å; E555-F570 HydrophobicContact CB-CE2 3.94Å; E555-F570 HydrophobicContact CB-CZ 4.18Å
556V98.5Very high97.4Very high1 Ų127 Ų271%0.00614%0.137CC..Hα-helixtrans-64.4-47178.9-176.40000110.4L545 E553 A554 A559 C560 F570 L595 M596L545-V556 HydrophobicContact CD1-CG2 3.97Å; L545-V556 HydrophobicContact CD2-CG2 4.2Å; E553-V556 VanDerWaalsContact O-CB 3.32Å; E553-V556 WeakPolarHBondContact O-CB 3.43Å; E553-V556 PolarHBondContact O-N 3.36Å; E553-V556 VanDerWaalsContact O-N 3.1Å; A554-V556 PolarHBondContact O-N 3.13Å; V556-A559 PolarHBondContact O-N 2.94Å; V556-C560 PolarHBondContact O-N 3.49Å; V556-C560 PolarHBondContact O-SG 3.22Å; V556-F570 HydrophobicContact CB-CE2 4.34Å; V556-F570 HydrophobicContact CB-CZ 4.38Å; V556-F570 HydrophobicContact CG2-CD1 4.27Å; V556-F570 HydrophobicContact CG2-CD2 4.47Å; V556-F570 HydrophobicContact CG2-CE1 3.7Å; V556-F570 HydrophobicContact CG2-CE2 3.92Å; V556-F570 HydrophobicContact CG2-CZ 3.48Å; V556-F570 VanDerWaalsContact CG2-CZ 3.48Å; V556-L595 HydrophobicContact CB-CB 4.21Å; V556-L595 HydrophobicContact CB-CD1 4.38Å; V556-L595 HydrophobicContact CG1-CB 3.79Å; V556-L595 HydrophobicContact CG2-CD1 3.99Å; V556-M596 HydrophobicContact CG1-CB 4.39Å; V556-M596 HydrophobicContact CG1-CG 3.32Å; V556-M596 HydrophobicContact CG1-SD 4.48Å
557E96.8Very high97.5Very high60 Ų6026.4 Ų26.428%0.2813%0.134SC..Hα-helixtrans-63.1-46.1175.9175.8170.8174.100111A554 A559 C560 R561 H599A554-E557 PolarHBondContact O-N 2.86Å; E557-A559 VanDerWaalsContact C-N 3.32Å; E557-A559 PolarHBondContact O-N 3Å; E557-C560 WeakPolarHBondContact O-CB 3.35Å; E557-C560 PolarHBondContact O-N 3.17Å; E557-R561 PolarHBondContact O-N 3.49Å; E557-R561 IonicContact OE1-CZ 2.7Å; E557-R561 IonicContact OE1-NE 3.62Å; E557-R561 IonicContact OE1-NH2 3.67Å; E557-R561 PolarHBondContact OE1-NH2 3.03Å; E557-H599 IonicContact OE1-CE1 2.7Å
558Y98Very high97.7Very high14 Ų1422.3 Ų22.36%0.05511%0.107CC..Hα-helixtrans-62.4-40.7178.9-164.2-104.3000112.2Y520 K523 T526 I527 M530 A554 E555 C560 R561 E562Y520-Y558 AromaticContact CD1-CD1 3.8Å; Y520-Y558 HydrophobicContact CD1-CD1 3.8Å; Y520-Y558 AromaticContact CD1-CE1 3.68Å; Y520-Y558 HydrophobicContact CD1-CE1 3.68Å; Y520-Y558 AromaticContact CE1-CD1 3.6Å; Y520-Y558 HydrophobicContact CE1-CD1 3.6Å; Y520-Y558 AromaticContact CE1-CE1 3.91Å; Y520-Y558 HydrophobicContact CE1-CE1 3.91Å; K523-Y558 HydrophobicContact CB-CE1 4.42Å; K523-Y558 WeakPolarHBondContact CB-OH 3.45Å; K523-Y558 WeakPolarHBondContact CG-OH 3.45Å; T526-Y558 HydrophobicContact CG2-CD2 4.45Å; T526-Y558 HydrophobicContact CG2-CE2 4.05Å; I527-Y558 HydrophobicContact CD1-CD1 3.73Å; I527-Y558 HydrophobicContact CD1-CE1 4.22Å; I527-Y558 HydrophobicContact CD1-CG 3.96Å; I527-Y558 HydrophobicContact CG1-CD1 3.94Å; I527-Y558 HydrophobicContact CG1-CD2 3.96Å; I527-Y558 HydrophobicContact CG1-CE1 4.47Å; I527-Y558 HydrophobicContact CG1-CE2 4.49Å; I527-Y558 HydrophobicContact CG1-CG 3.65Å; M530-Y558 HydrophobicContact CE-CD2 3.45Å; M530-Y558 VanDerWaalsContact CE-CD2 3.45Å; M530-Y558 HydrophobicContact CE-CE2 4.48Å; M530-Y558 HydrophobicContact CE-CG 3.97Å; M530-Y558 HydrophobicContact SD-CD2 4.44Å; A554-Y558 PolarHBondContact O-N 3.46Å; A554-Y558 VanDerWaalsContact O-N 3.15Å; E555-Y558 PolarHBondContact O-N 3.37Å; Y558-C560 VanDerWaalsContact C-N 3.28Å; Y558-C560 PolarHBondContact O-N 3.12Å; Y558-R561 WeakPolarHBondContact O-CA 3.33Å; Y558-R561 VanDerWaalsContact O-CB 3.32Å; Y558-R561 WeakPolarHBondContact O-CB 3.36Å; Y558-R561 PolarHBondContact O-N 2.86Å; Y558-E562 HydrophobicContact CD1-CG 4.28Å; Y558-E562 HydrophobicContact CE1-CG 3.96Å; Y558-E562 WeakPolarHBondContact CE1-OE1 3.34Å; Y558-E562 PolarHBondContact O-N 3.48Å; Y558-E562 VanDerWaalsContact O-N 3.09Å
559A98.3Very high98Very high0 Ų016 Ų160%08%0.077CC..Hα-helixtrans-59.1-38176.900000112.5E555 V556 E557 R561 E562 Y563 A564 F570 R574E555-A559 WeakPolarHBondContact O-CB 3.46Å; E555-A559 PolarHBondContact O-N 2.53Å; V556-A559 PolarHBondContact O-N 2.94Å; E557-A559 VanDerWaalsContact C-N 3.32Å; E557-A559 PolarHBondContact O-N 3Å; A559-R561 VanDerWaalsContact C-N 3.29Å; A559-R561 PolarHBondContact O-N 3.16Å; A559-E562 CarbonylContact O-C 3.57Å; A559-E562 WeakPolarHBondContact O-CA 3.21Å; A559-E562 PolarHBondContact O-N 2.7Å; A559-Y563 PolarHBondContact O-N 3.48Å; A559-A564 HydrophobicContact CB-CB 4.03Å; A559-A564 WeakPolarHBondContact O-CB 3.49Å; A559-A564 PolarHBondContact O-N 3.39Å; A559-F570 HydrophobicContact CB-CD2 3.56Å; A559-F570 HydrophobicContact CB-CE2 4.1Å; A559-R574 HydrophobicContact CB-CB 4.18Å; A559-R574 HydrophobicContact CB-CG 3.69Å
560C98.2Very high98.1Very high14 Ų1415.8 Ų15.810%0.0958%0.077CC..Hα-helixtrans-63.9-36.2175.1-63.30000111.6V556 E557 Y558 E562 Y563 H599 L600V556-C560 PolarHBondContact O-N 3.49Å; V556-C560 PolarHBondContact O-SG 3.22Å; E557-C560 WeakPolarHBondContact O-CB 3.35Å; E557-C560 PolarHBondContact O-N 3.17Å; Y558-C560 VanDerWaalsContact C-N 3.28Å; Y558-C560 PolarHBondContact O-N 3.12Å; C560-E562 PolarHBondContact O-N 3.49Å; C560-Y563 PolarHBondContact O-N 3.02Å; C560-Y563 VanDerWaalsContact O-N 3.13Å; C560-H599 WeakPolarHBondContact CB-CD2 3.5Å; C560-L600 HydrophobicContact CB-CD2 4.2Å
561R96.9Very high98.1Very high117 Ų11714.6 Ų14.644%0.4427%0.069SC..Hα-helixtrans-67.4-24.6172.6-56.1178.8-173-168.13112.4M530 E557 Y558 A559 Y563M530-R561 VanDerWaalsContact SD-CZ 3.51Å; M530-R561 PolarHBondContact SD-NH1 3.12Å; M530-R561 VanDerWaalsContact SD-NH1 3.42Å; E557-R561 PolarHBondContact O-N 3.49Å; E557-R561 IonicContact OE1-CZ 2.7Å; E557-R561 IonicContact OE1-NE 3.62Å; E557-R561 IonicContact OE1-NH2 3.67Å; E557-R561 PolarHBondContact OE1-NH2 3.03Å; Y558-R561 WeakPolarHBondContact O-CA 3.33Å; Y558-R561 VanDerWaalsContact O-CB 3.32Å; Y558-R561 WeakPolarHBondContact O-CB 3.36Å; Y558-R561 PolarHBondContact O-N 2.86Å; A559-R561 VanDerWaalsContact C-N 3.29Å; A559-R561 PolarHBondContact O-N 3.16Å; R561-Y563 VanDerWaalsContact C-N 3.27Å; R561-Y563 PolarHBondContact O-N 3Å
562E97.9Very high98.1Very high0 Ų014.5 Ų14.50%07%0.068CC..THydrogen-bonded Turntrans-96.336.6170.8-60.5179.813600112.3L59 R232 L235 L239 Y558 A559 C560 A564 R574L59-E562 HydrophobicContact CD1-CG 4.44Å; R232-E562 IonicContact CZ-OE1 3.39Å; R232-E562 IonicContact CZ-OE2 2.83Å; R232-E562 IonicContact NH1-OE1 3.66Å; R232-E562 PolarHBondContact NH1-OE1 3.09Å; R232-E562 IonicContact NH1-OE2 3.99Å; R232-E562 PolarHBondContact NH1-OE2 3.04Å; R232-E562 IonicContact NH2-OE1 3.85Å; R232-E562 PolarHBondContact NH2-OE1 3.43Å; R232-E562 IonicContact NH2-OE2 3.06Å; L235-E562 HydrophobicContact CD2-CB 4.42Å; L239-E562 HydrophobicContact CD1-CB 4.32Å; L239-E562 HydrophobicContact CD1-CG 3.92Å; L239-E562 VanDerWaalsContact CD1-OE1 3.32Å; L239-E562 WeakPolarHBondContact CD1-OE1 3.39Å; Y558-E562 HydrophobicContact CD1-CG 4.28Å; Y558-E562 HydrophobicContact CE1-CG 3.96Å; Y558-E562 WeakPolarHBondContact CE1-OE1 3.34Å; Y558-E562 PolarHBondContact O-N 3.48Å; Y558-E562 VanDerWaalsContact O-N 3.09Å; A559-E562 CarbonylContact O-C 3.57Å; A559-E562 WeakPolarHBondContact O-CA 3.21Å; A559-E562 PolarHBondContact O-N 2.7Å; C560-E562 PolarHBondContact O-N 3.49Å; E562-A564 VanDerWaalsContact C-N 3.28Å; E562-A564 PolarHBondContact O-N 3.03Å; E562-R574 PolarHBondContact O-NH2 2.83Å
563Y98.4Very high98.1Very high5 Ų515.2 Ų15.22%0.027%0.071CC..THydrogen-bonded Turntrans65.415.5170.5-40.3-64.7000116P60 R62 H65 F108 L239 I248 N250 A559 C560 R561 C565P60-Y563 VanDerWaalsContact O-CE1 3.26Å; P60-Y563 WeakPolarHBondContact O-CE1 3.14Å; P60-Y563 PolarHBondContact O-OH 3.19Å; P60-Y563 VanDerWaalsContact O-OH 3.06Å; R62-Y563 HydrophobicContact CB-CD1 4.09Å; H65-Y563 AromaticContact CD2-CE1 3.84Å; H65-Y563 AromaticContact CD2-CZ 3.94Å; H65-Y563 AromaticContact NE2-CE1 3.95Å; H65-Y563 AromaticContact NE2-CZ 3.62Å; H65-Y563 PolarHBondContact NE2-OH 2.83Å; F108-Y563 AromaticContact CE2-CD2 3.93Å; F108-Y563 HydrophobicContact CE2-CD2 3.93Å; F108-Y563 HydrophobicContact CE2-CG 4.43Å; L239-Y563 HydrophobicContact CD2-CD2 3.88Å; L239-Y563 HydrophobicContact CD2-CE2 3.45Å; L239-Y563 VanDerWaalsContact CD2-CE2 3.45Å; I248-Y563 HydrophobicContact CD1-CD2 4.46Å; I248-Y563 HydrophobicContact CD1-CE2 3.78Å; I248-Y563 HydrophobicContact CG1-CE2 4.09Å; N250-Y563 PolarHBondContact ND2-O 3.03Å; A559-Y563 PolarHBondContact O-N 3.48Å; C560-Y563 PolarHBondContact O-N 3.02Å; C560-Y563 VanDerWaalsContact O-N 3.13Å; R561-Y563 VanDerWaalsContact C-N 3.27Å; R561-Y563 PolarHBondContact O-N 3Å; Y563-C565 PolarHBondContact O-N 3.02Å; Y563-C565 PolarHBondContact O-SG 3.22Å
564A98.5Very high98.1Very high1 Ų114.5 Ų14.51%0.0087%0.068CC..  trans-63.2119.616900000109.7A559 E562 D569 M596A559-A564 HydrophobicContact CB-CB 4.03Å; A559-A564 WeakPolarHBondContact O-CB 3.49Å; A559-A564 PolarHBondContact O-N 3.39Å; E562-A564 VanDerWaalsContact C-N 3.28Å; E562-A564 PolarHBondContact O-N 3.03Å; A564-D569 HydrophobicContact CB-CB 3.8Å; A564-M596 HydrophobicContact CB-CE 4.35Å
565C98.3Very high98Very high14 Ų1414 Ų1410%0.0956%0.064CC..  trans-114-20.5-175.1-63.80000112.9Y251 L292 Y563 D569 W602Y251-C565 HydrophobicContact CD2-CB 3.87Å; Y251-C565 HydrophobicContact CE2-CB 3.73Å; L292-C565 HydrophobicContact CD1-CB 3.74Å; L292-C565 HydrophobicContact CD2-CB 4.35Å; Y563-C565 PolarHBondContact O-N 3.02Å; Y563-C565 PolarHBondContact O-SG 3.22Å; C565-D569 PolarHBondContact N-OD2 3.48Å; C565-W602 WeakPolarHBondContact O-CZ2 3.46Å
566H98.4Very high98Very high23 Ų2314.1 Ų14.111%0.1066%0.064CC..SBendtrans-127.4157177.4-72.3-97.7000111Y251 L292 V568 D569 M596 R606 E610 E613Y251-H566 AromaticContact CE1-CD2 3.47Å; Y251-H566 VanDerWaalsContact CE1-CD2 3.47Å; Y251-H566 WeakPolarHBondContact CE1-CD2 3.42Å; Y251-H566 AromaticContact CE1-NE2 3.69Å; Y251-H566 AromaticContact CE2-CD2 3.79Å; Y251-H566 AromaticContact CZ-CD2 3.22Å; Y251-H566 AromaticContact CZ-NE2 3.94Å; Y251-H566 PolarHBondContact OH-CD2 3.29Å; L292-H566 VanDerWaalsContact CD2-NE2 3.29Å; L292-H566 WeakPolarHBondContact CD2-NE2 3.43Å; H566-V568 PolarHBondContact O-N 2.88Å; H566-D569 PolarHBondContact N-OD2 3.19Å; H566-D569 WeakPolarHBondContact O-CB 3.36Å; H566-D569 PolarHBondContact O-N 2.84Å; H566-M596 WeakPolarHBondContact O-CE 3.42Å; H566-R606 PolarHBondContact CE1-NH2 2.92Å; H566-R606 PolarHBondContact ND1-NH2 3.49Å; H566-R606 PolarHBondContact NE2-NH2 3.25Å; H566-E610 WeakPolarHBondContact CA-OE2 3.43Å; H566-E610 IonicContact CE1-OE1 2.95Å; H566-E610 IonicContact CG-OE1 3.6Å; H566-E610 IonicContact CG-OE2 2.63Å; H566-E610 IonicContact ND1-OE1 3.99Å; H566-E610 PolarHBondContact ND1-OE1 2.8Å; H566-E610 IonicContact ND1-OE2 3.54Å; H566-E613 IonicContact CE1-OE2 2.66Å; H566-E613 IonicContact ND1-OE2 3.65Å
567V98.5Very high98Very high0 Ų014.1 Ų14.10%06%0.064CC..Hα-helixtrans-58.4-35.6179172.50000112.2D569 F570 L571 L589 I592 V593 M596 W602 E610 A614V567-D569 PolarHBondContact O-N 3.24Å; V567-F570 PolarHBondContact O-N 3.06Å; V567-L571 HydrophobicContact CG1-CD1 4.12Å; V567-L571 HydrophobicContact CG1-CG 4.39Å; V567-L571 PolarHBondContact O-N 2.9Å; V567-L589 HydrophobicContact CG1-CD2 3.66Å; V567-I592 HydrophobicContact CG1-CG2 3.93Å; V567-V593 HydrophobicContact CG2-CG2 3.79Å; V567-M596 HydrophobicContact CB-SD 4.45Å; V567-M596 HydrophobicContact CG2-SD 4.04Å; V567-W602 HydrophobicContact CG2-CH2 3.97Å; V567-W602 HydrophobicContact CG2-CZ3 3.92Å; V567-E610 HydrophobicContact CG2-CB 3.94Å; V567-E610 PolarHBondContact N-OE2 2.81Å; V567-A614 HydrophobicContact CB-CB 4.29Å; V567-A614 HydrophobicContact CG1-CB 3.99Å
568V98.2Very high98Very high21 Ų2111.3 Ų11.313%0.1275%0.051CC..Hα-helixtrans-61.6-31.6176178.60000111.7H566 F570 A572 A614 F617H566-V568 PolarHBondContact O-N 2.88Å; V568-F570 VanDerWaalsContact C-N 3.28Å; V568-F570 PolarHBondContact O-N 2.72Å; V568-A572 HydrophobicContact CG1-CB 4.03Å; V568-A572 WeakPolarHBondContact O-CA 3.47Å; V568-A572 WeakPolarHBondContact O-CB 3.35Å; V568-A572 PolarHBondContact O-N 3.49Å; V568-A614 HydrophobicContact CG2-CB 4.21Å; V568-F617 HydrophobicContact CG1-CD1 3.89Å; V568-F617 HydrophobicContact CG1-CD2 3.75Å; V568-F617 HydrophobicContact CG1-CE1 3.94Å; V568-F617 HydrophobicContact CG1-CE2 3.82Å; V568-F617 HydrophobicContact CG1-CG 3.79Å; V568-F617 HydrophobicContact CG1-CZ 3.91Å; V568-F617 HydrophobicContact CG2-CB 3.89Å; V568-F617 HydrophobicContact CG2-CD1 4.1Å; V568-F617 HydrophobicContact CG2-CG 3.93Å
569D98.6Very high98Very high0 Ų010.7 Ų10.70%05%0.048CC..Iπ-helixtrans-62.5-40.1177.7-60.3-19.3000111.7D107 Y251 A564 C565 H566 V567 R573 R574D107-D569 WeakPolarHBondContact CB-OD1 3.43Å; D107-D569 WeakPolarHBondContact OD2-CB 3.41Å; Y251-D569 WeakPolarHBondContact CE2-OD2 2.91Å; Y251-D569 VanDerWaalsContact OH-CG 3.29Å; Y251-D569 PolarHBondContact OH-OD1 2.97Å; Y251-D569 PolarHBondContact OH-OD2 3.46Å; A564-D569 HydrophobicContact CB-CB 3.8Å; C565-D569 PolarHBondContact N-OD2 3.48Å; H566-D569 PolarHBondContact N-OD2 3.19Å; H566-D569 WeakPolarHBondContact O-CB 3.36Å; H566-D569 PolarHBondContact O-N 2.84Å; V567-D569 PolarHBondContact O-N 3.24Å; D569-R573 WeakPolarHBondContact O-CB 3.45Å; D569-R573 PolarHBondContact O-N 3.27Å; D569-R573 VanDerWaalsContact O-N 3.16Å; D569-R573 IonicContact OD1-CZ 2.97Å; D569-R573 IonicContact OD1-NE 3.07Å; D569-R573 IonicContact OD1-NH2 2.68Å; D569-R573 PolarHBondContact OD1-NH2 3.33Å; D569-R574 PolarHBondContact O-N 2.94Å; D569-R574 PolarHBondContact O-NH1 3.34Å
570F98.6Very high98Very high1 Ų110.9 Ų10.90%0.0045%0.049CC..Iπ-helixtrans-72-58.5177.6-178.4-103.9000111.2L545 E555 V556 A559 V567 V568 A572 R574 T575 I592 M596L545-F570 HydrophobicContact CD1-CE1 3.48Å; L545-F570 VanDerWaalsContact CD1-CE1 3.48Å; L545-F570 HydrophobicContact CD1-CZ 3.62Å; E555-F570 HydrophobicContact CB-CE2 3.94Å; E555-F570 HydrophobicContact CB-CZ 4.18Å; V556-F570 HydrophobicContact CB-CE2 4.34Å; V556-F570 HydrophobicContact CB-CZ 4.38Å; V556-F570 HydrophobicContact CG2-CD1 4.27Å; V556-F570 HydrophobicContact CG2-CD2 4.47Å; V556-F570 HydrophobicContact CG2-CE1 3.7Å; V556-F570 HydrophobicContact CG2-CE2 3.92Å; V556-F570 HydrophobicContact CG2-CZ 3.48Å; V556-F570 VanDerWaalsContact CG2-CZ 3.48Å; A559-F570 HydrophobicContact CB-CD2 3.56Å; A559-F570 HydrophobicContact CB-CE2 4.1Å; V567-F570 PolarHBondContact O-N 3.06Å; V568-F570 VanDerWaalsContact C-N 3.28Å; V568-F570 PolarHBondContact O-N 2.72Å; F570-A572 PolarHBondContact O-N 3.4Å; F570-R574 HydrophobicContact CD2-CB 3.83Å; F570-R574 HydrophobicContact CD2-CG 4.29Å; F570-R574 HydrophobicContact CE2-CB 4.28Å; F570-R574 PolarHBondContact O-N 3.5Å; F570-T575 HydrophobicContact CD1-CG2 4.4Å; F570-T575 HydrophobicContact CD2-CG2 4.38Å; F570-T575 HydrophobicContact CE1-CG2 3.65Å; F570-T575 HydrophobicContact CE2-CG2 3.63Å; F570-T575 HydrophobicContact CZ-CG2 3.22Å; F570-T575 PolarHBondContact O-N 3.5Å; F570-T575 VanDerWaalsContact O-N 3.08Å; F570-T575 PolarHBondContact O-OG1 3.48Å; F570-I592 HydrophobicContact CD1-CD1 3.95Å; F570-I592 HydrophobicContact CD1-CG1 4.18Å; F570-I592 HydrophobicContact CD1-CG2 3.73Å; F570-I592 HydrophobicContact CE1-CD1 3.93Å; F570-I592 HydrophobicContact CE1-CG1 4.07Å; F570-I592 HydrophobicContact CE1-CG2 4.37Å; F570-I592 HydrophobicContact CG-CG2 4.43Å; F570-M596 HydrophobicContact CB-SD 4.15Å
571L97.9Very high97.9Very high1 Ų111.2 Ų11.21%0.0055%0.05CC..Iπ-helixtrans-60.6-45.6-176.2-83.8-176.3000113.2V567 R576 L577 A578 A585 L589 I592V567-L571 HydrophobicContact CG1-CD1 4.12Å; V567-L571 HydrophobicContact CG1-CG 4.39Å; V567-L571 PolarHBondContact O-N 2.9Å; L571-R576 CarbonylContact O-C 3.02Å; L571-R576 WeakPolarHBondContact O-CA 3.43Å; L571-R576 PolarHBondContact O-N 2.9Å; L571-L577 HydrophobicContact CD2-CB 4.08Å; L571-L577 HydrophobicContact CD2-CD2 3.93Å; L571-L577 HydrophobicContact CD2-CG 4.34Å; L571-L577 PolarHBondContact O-N 2.69Å; L571-L577 VanDerWaalsContact O-N 3.15Å; L571-A578 HydrophobicContact CB-CB 4.28Å; L571-A578 PolarHBondContact O-N 3.34Å; L571-A585 HydrophobicContact CD1-CB 4.4Å; L571-A585 HydrophobicContact CD2-CB 4.18Å; L571-L589 HydrophobicContact CD1-CD2 3.33Å; L571-L589 HydrophobicContact CD1-CG 4.22Å; L571-I592 HydrophobicContact CD2-CD1 3.45Å; L571-I592 VanDerWaalsContact CD2-CD1 3.45Å; L571-I592 HydrophobicContact CG-CD1 3.96Å
572A97.6Very high97.8Very high1 Ų16 Ų61%0.0083%0.032CC..Iπ-helixtrans-80.5-40.6-175.200000110.7V568 F570 R576 F579 F617V568-A572 HydrophobicContact CG1-CB 4.03Å; V568-A572 WeakPolarHBondContact O-CA 3.47Å; V568-A572 WeakPolarHBondContact O-CB 3.35Å; V568-A572 PolarHBondContact O-N 3.49Å; F570-A572 PolarHBondContact O-N 3.4Å; A572-R576 WeakPolarHBondContact O-CD 3.4Å; A572-R576 PolarHBondContact O-NE 3.3Å; A572-R576 PolarHBondContact O-NH1 2.91Å; A572-F579 HydrophobicContact CB-CE2 4.07Å; A572-F579 WeakPolarHBondContact O-CE2 3.21Å; A572-F617 HydrophobicContact CB-CE1 3.97Å; A572-F617 HydrophobicContact CB-CZ 3.62Å
573R98Very high97.5Very high16 Ų1612.1 Ų12.16%0.066%0.055CC..Iπ-helixtrans-120.5-18.4-164-69168.3-78.9-80.96.3115.9D107 F108 A231 D569D107-R573 WeakPolarHBondContact OD2-CD 3.35Å; D107-R573 IonicContact OD2-CZ 3.19Å; D107-R573 IonicContact OD2-NE 2.74Å; D107-R573 PolarHBondContact OD2-NE 2.71Å; D107-R573 IonicContact OD2-NH2 2.76Å; F108-R573 WeakPolarHBondContact O-CD 3.42Å; A231-R573 HydrophobicContact CB-CB 4.18Å; A231-R573 HydrophobicContact CB-CG 4.18Å; D569-R573 WeakPolarHBondContact O-CB 3.45Å; D569-R573 PolarHBondContact O-N 3.27Å; D569-R573 VanDerWaalsContact O-N 3.16Å; D569-R573 IonicContact OD1-CZ 2.97Å; D569-R573 IonicContact OD1-NE 3.07Å; D569-R573 IonicContact OD1-NH2 2.68Å; D569-R573 PolarHBondContact OD1-NH2 3.33Å
574R97.9Very high97.3Very high5 Ų512 Ų122%0.0195%0.054CC..Iπ-helixtrans-97.9-40178-54.4-35.8-171.1-90.513112.9D107 A559 E562 D569 F570D107-R574 IonicContact OD1-NH1 2.72Å; D107-R574 IonicContact OD1-NH2 3.8Å; D107-R574 PolarHBondContact OD1-NH2 3.31Å; D107-R574 IonicContact OD2-CZ 3.68Å; D107-R574 IonicContact OD2-NH1 2.77Å; D107-R574 PolarHBondContact OD2-NH1 3.03Å; D107-R574 IonicContact OD2-NH2 3.64Å; D107-R574 PolarHBondContact OD2-NH2 3.14Å; A559-R574 HydrophobicContact CB-CB 4.18Å; A559-R574 HydrophobicContact CB-CG 3.69Å; E562-R574 PolarHBondContact O-NH2 2.83Å; D569-R574 PolarHBondContact O-N 2.94Å; D569-R574 PolarHBondContact O-NH1 3.34Å; F570-R574 HydrophobicContact CD2-CB 3.83Å; F570-R574 HydrophobicContact CD2-CG 4.29Å; F570-R574 HydrophobicContact CE2-CB 4.28Å; F570-R574 PolarHBondContact O-N 3.5Å
575T96.6Very high97.3Very high1 Ų112 Ų121%0.0065%0.054CC..SBendtrans-106.3-24.5176.859.40000113.8F551 F570 L577F551-T575 HydrophobicContact CB-CG2 4.02Å; F551-T575 HydrophobicContact CD1-CG2 4.05Å; F551-T575 HydrophobicContact CD2-CG2 4.37Å; F551-T575 WeakPolarHBondContact CE1-O 3.29Å; F551-T575 HydrophobicContact CG-CG2 3.88Å; F551-T575 WeakPolarHBondContact CZ-O 3.29Å; F570-T575 HydrophobicContact CD1-CG2 4.4Å; F570-T575 HydrophobicContact CD2-CG2 4.38Å; F570-T575 HydrophobicContact CE1-CG2 3.65Å; F570-T575 HydrophobicContact CE2-CG2 3.63Å; F570-T575 HydrophobicContact CZ-CG2 3.22Å; F570-T575 PolarHBondContact O-N 3.5Å; F570-T575 VanDerWaalsContact O-N 3.08Å; F570-T575 PolarHBondContact O-OG1 3.48Å; T575-L577 PolarHBondContact O-N 2.89Å; T575-L577 PolarHBondContact OG1-N 2.9Å
576R97.5Very high97.2Very high2 Ų214.8 Ų14.81%0.0087%0.066CC..  trans65.113.1-171.7-44.7-60-65.1173.2-5113.6S114 E229 D230 A231 W364 M365 L571 A572 A578 F579 L580S114-R576 PolarHBondContact O-NH2 3.17Å; E229-R576 WeakPolarHBondContact OE1-CD 3.39Å; E229-R576 WeakPolarHBondContact OE1-CG 3.13Å; E229-R576 IonicContact OE1-CZ 3.86Å; E229-R576 IonicContact OE1-NE 3.72Å; E229-R576 PolarHBondContact OE1-NE 3.13Å; E229-R576 VanDerWaalsContact OE1-NE 3.12Å; D230-R576 IonicContact OD1-NH2 3.27Å; A231-R576 VanDerWaalsContact CB-NH1 3.29Å; W364-R576 HydrophobicContact CH2-CB 3.97Å; W364-R576 HydrophobicContact CH2-CG 4.36Å; W364-R576 HydrophobicContact CZ2-CB 4.28Å; W364-R576 HydrophobicContact CZ2-CG 4.22Å; M365-R576 HydrophobicContact CE-CB 4.23Å; M365-R576 HydrophobicContact CE-CG 3.8Å; M365-R576 HydrophobicContact SD-CB 4.07Å; M365-R576 HydrophobicContact SD-CG 4.3Å; L571-R576 CarbonylContact O-C 3.02Å; L571-R576 WeakPolarHBondContact O-CA 3.43Å; L571-R576 PolarHBondContact O-N 2.9Å; A572-R576 WeakPolarHBondContact O-CD 3.4Å; A572-R576 PolarHBondContact O-NE 3.3Å; A572-R576 PolarHBondContact O-NH1 2.91Å; R576-A578 PolarHBondContact O-N 2.81Å; R576-F579 HydrophobicContact CB-CB 4.43Å; R576-F579 CarbonylContact O-C 3.53Å; R576-F579 WeakPolarHBondContact O-CA 3.5Å; R576-F579 WeakPolarHBondContact O-CB 3.42Å; R576-F579 PolarHBondContact O-N 3.35Å; R576-L580 PolarHBondContact O-N 3.4Å
577L98.1Very high97Very high1 Ų120.1 Ų20.11%0.0059%0.091CC..Hα-helixtrans-54.7-41.4-178.5-179.557.6000112F549 F551 L571 T575 F579 L580 N581 A584 A585 A588F549-L577 HydrophobicContact CB-CD1 4.4Å; F549-L577 HydrophobicContact CD1-CD1 3.74Å; F549-L577 HydrophobicContact CD2-CD1 3.62Å; F549-L577 HydrophobicContact CE1-CD1 3.84Å; F549-L577 HydrophobicContact CE2-CD1 3.78Å; F549-L577 HydrophobicContact CG-CD1 3.64Å; F549-L577 HydrophobicContact CZ-CD1 3.88Å; F551-L577 HydrophobicContact CD2-CB 3.92Å; F551-L577 HydrophobicContact CD2-CD1 4.07Å; F551-L577 HydrophobicContact CD2-CD2 4.26Å; F551-L577 HydrophobicContact CD2-CG 4.29Å; F551-L577 HydrophobicContact CE2-CB 3.64Å; F551-L577 HydrophobicContact CE2-CD1 3.75Å; F551-L577 HydrophobicContact CE2-CG 4.17Å; L571-L577 HydrophobicContact CD2-CB 4.08Å; L571-L577 HydrophobicContact CD2-CD2 3.93Å; L571-L577 HydrophobicContact CD2-CG 4.34Å; L571-L577 PolarHBondContact O-N 2.69Å; L571-L577 VanDerWaalsContact O-N 3.15Å; T575-L577 PolarHBondContact O-N 2.89Å; T575-L577 PolarHBondContact OG1-N 2.9Å; L577-F579 PolarHBondContact O-N 3.06Å; L577-L580 PolarHBondContact O-N 3.42Å; L577-N581 CarbonylContact O-C 3.38Å; L577-N581 PolarHBondContact O-N 2.69Å; L577-A584 HydrophobicContact CD1-CB 4.03Å; L577-A585 HydrophobicContact CD2-CB 4.39Å; L577-A585 HydrophobicContact CG-CB 3.98Å; L577-A588 HydrophobicContact CD2-CB 3.92Å
578A97.7Very high97Very high0 Ų020.1 Ų20.10%09%0.091CC..Hα-helixtrans-62.5-28.8176.200000113.5L571 R576 A585 F617 L618 M622L571-A578 HydrophobicContact CB-CB 4.28Å; L571-A578 PolarHBondContact O-N 3.34Å; R576-A578 PolarHBondContact O-N 2.81Å; A578-A585 HydrophobicContact CB-CB 4.27Å; A578-F617 HydrophobicContact CB-CE1 3.91Å; A578-L618 HydrophobicContact CB-CD2 3.8Å; A578-M622 HydrophobicContact CB-CG 4.07Å; A578-M622 HydrophobicContact CB-SD 4.04Å
579F97.9Very high96.9Very high2 Ų219.2 Ų19.21%0.0099%0.086CC..Hα-helixtrans-82.1-24.7173.8-75-106.9000112.1R115 I336 W364 S414 W416 A572 R576 L577 M622R115-F579 HydrophobicContact CG-CE1 4.48Å; R115-F579 HydrophobicContact CG-CZ 4.34Å; I336-F579 WeakPolarHBondContact CG1-O 3.29Å; W364-F579 HydrophobicContact CH2-CB 3.75Å; W364-F579 HydrophobicContact CH2-CG 4.4Å; W364-F579 HydrophobicContact CZ3-CB 3.91Å; S414-F579 PolarHBondContact OG-O 3.49Å; W416-F579 HydrophobicContact CB-CE1 4.19Å; W416-F579 AromaticContact CD1-CE1 3.64Å; W416-F579 AromaticContact CD2-CD1 3.49Å; W416-F579 HydrophobicContact CD2-CD1 3.49Å; W416-F579 VanDerWaalsContact CD2-CD1 3.49Å; W416-F579 AromaticContact CD2-CE1 3.7Å; W416-F579 HydrophobicContact CD2-CE1 3.7Å; W416-F579 AromaticContact CE2-CD1 3.67Å; W416-F579 AromaticContact CE2-CE1 3.83Å; W416-F579 AromaticContact CE3-CD1 3.87Å; W416-F579 HydrophobicContact CE3-CD1 3.87Å; W416-F579 HydrophobicContact CE3-CE1 4.48Å; W416-F579 AromaticContact CG-CD1 3.84Å; W416-F579 HydrophobicContact CG-CD1 3.84Å; W416-F579 AromaticContact CG-CE1 3.54Å; W416-F579 HydrophobicContact CG-CE1 3.54Å; W416-F579 HydrophobicContact CH2-CD1 4.49Å; W416-F579 HydrophobicContact CZ2-CD1 4.15Å; W416-F579 HydrophobicContact CZ3-CD1 4.4Å; W416-F579 AromaticContact NE1-CE1 3.82Å; A572-F579 HydrophobicContact CB-CE2 4.07Å; A572-F579 WeakPolarHBondContact O-CE2 3.21Å; R576-F579 HydrophobicContact CB-CB 4.43Å; R576-F579 CarbonylContact O-C 3.53Å; R576-F579 WeakPolarHBondContact O-CA 3.5Å; R576-F579 WeakPolarHBondContact O-CB 3.42Å; R576-F579 PolarHBondContact O-N 3.35Å; L577-F579 PolarHBondContact O-N 3.06Å; F579-M622 HydrophobicContact CD2-SD 4.02Å; F579-M622 HydrophobicContact CE2-CE 4.12Å; F579-M622 HydrophobicContact CE2-SD 3.97Å; F579-M622 HydrophobicContact CG-SD 4.43Å; F579-M622 HydrophobicContact CZ-CE 4.04Å; F579-M622 HydrophobicContact CZ-SD 4.34Å
580L97.4Very high96.9Very high3 Ų322.3 Ų22.32%0.01611%0.106CC..Hα-helixtrans-87.2-45.2-179.3-60.6-179.1000112.5I336 W364 M365 Y367 L413 F549 F551 R576 L577I336-L580 WeakPolarHBondContact CG2-O 3.25Å; W364-L580 HydrophobicContact CE3-CD2 3.69Å; W364-L580 HydrophobicContact CH2-CD2 4.13Å; W364-L580 HydrophobicContact CZ3-CD2 3.46Å; W364-L580 VanDerWaalsContact CZ3-CD2 3.46Å; W364-L580 HydrophobicContact CZ3-CG 4.49Å; M365-L580 HydrophobicContact CB-CD1 3.97Å; M365-L580 HydrophobicContact CB-CD2 3.75Å; M365-L580 HydrophobicContact CG-CD2 4.32Å; M365-L580 HydrophobicContact SD-CD1 3.82Å; M365-L580 HydrophobicContact SD-CD2 4.08Å; M365-L580 HydrophobicContact SD-CG 4.29Å; Y367-L580 HydrophobicContact CD2-CB 4.24Å; Y367-L580 HydrophobicContact CD2-CD1 4.32Å; Y367-L580 HydrophobicContact CD2-CD2 3.9Å; Y367-L580 HydrophobicContact CD2-CG 4.38Å; Y367-L580 HydrophobicContact CE2-CB 4.16Å; Y367-L580 HydrophobicContact CE2-CD1 4.17Å; L413-L580 VanDerWaalsContact CB-O 3.22Å; L413-L580 WeakPolarHBondContact CB-O 3.43Å; F549-L580 HydrophobicContact CD1-CD1 4.21Å; F549-L580 HydrophobicContact CE1-CB 3.93Å; F549-L580 HydrophobicContact CE1-CD1 4Å; F551-L580 HydrophobicContact CE2-CD1 4.31Å; F551-L580 HydrophobicContact CZ-CD1 3.85Å; R576-L580 PolarHBondContact O-N 3.4Å; L577-L580 PolarHBondContact O-N 3.42Å
581N96.7Very high96.9Very high21 Ų2126.5 Ų26.511%0.11212%0.121CC..  trans-156.5112-178.6-177-28.6000109.9L413 F549 L577 R583 A584 A585L413-N581 HydrophobicContact CB-CB 4.34Å; L413-N581 WeakPolarHBondContact O-CA 3.22Å; F549-N581 HydrophobicContact CE2-CB 4.21Å; F549-N581 HydrophobicContact CZ-CB 3.59Å; L577-N581 CarbonylContact O-C 3.38Å; L577-N581 PolarHBondContact O-N 2.69Å; N581-R583 VanDerWaalsContact C-N 3.33Å; N581-R583 PolarHBondContact O-N 3.46Å; N581-R583 PolarHBondContact OD1-N 2.79Å; N581-A584 HydrophobicContact CB-CB 3.96Å; N581-A584 PolarHBondContact O-N 3.42Å; N581-A584 PolarHBondContact OD1-N 3.13Å; N581-A585 WeakPolarHBondContact O-CB 3.19Å; N581-A585 PolarHBondContact O-N 3.32Å
582V95.6Very high96.9Very high9 Ų926.4 Ų26.46%0.05512%0.121CC..Hα-helixtrans-70-29.4-174.176.60000112.9L413 A585 E586 L618 M622 L624L413-V582 WeakPolarHBondContact O-CG1 3.38Å; L413-V582 PolarHBondContact O-N 2.92Å; V582-A585 WeakPolarHBondContact O-CB 3.44Å; V582-E586 PolarHBondContact O-N 3.17Å; V582-E586 VanDerWaalsContact O-N 3.07Å; V582-L618 HydrophobicContact CG2-CB 3.85Å; V582-L618 HydrophobicContact CG2-CD2 3.87Å; V582-L618 HydrophobicContact CG2-CG 4.33Å; V582-M622 HydrophobicContact CB-CB 4.48Å; V582-M622 HydrophobicContact CG2-CB 3.65Å; V582-L624 HydrophobicContact CB-CB 4.44Å; V582-L624 HydrophobicContact CG1-CB 3.94Å; V582-L624 HydrophobicContact CG1-CD1 4Å; V582-L624 HydrophobicContact CG2-CB 3.64Å
583R91.9Very high97Very high128 Ų12826.7 Ų26.748%0.48312%0.123SC..Hα-helixtrans-75.1-44.3176.9-66.6-172.7179-173.3-0.1111.8N581 A585 E586 E587 L624N581-R583 VanDerWaalsContact C-N 3.33Å; N581-R583 PolarHBondContact O-N 3.46Å; N581-R583 PolarHBondContact OD1-N 2.79Å; R583-A585 PolarHBondContact O-N 2.85Å; R583-E586 WeakPolarHBondContact O-CA 3.37Å; R583-E586 WeakPolarHBondContact O-CB 3.33Å; R583-E586 PolarHBondContact O-N 3.19Å; R583-E586 VanDerWaalsContact O-N 3.07Å; R583-E587 WeakPolarHBondContact O-CG 3.28Å; R583-E587 PolarHBondContact O-N 3.48Å; R583-L624 HydrophobicContact CG-CD1 4.35Å
584A93.9Very high97Very high2 Ų229.3 Ų29.32%0.01714%0.138CC..Hα-helixtrans-62.8-32.8174.100000111.8F549 L577 N581 A588F549-A584 HydrophobicContact CD2-CB 3.96Å; F549-A584 HydrophobicContact CE2-CB 3.33Å; F549-A584 HydrophobicContact CZ-CB 4.13Å; L577-A584 HydrophobicContact CD1-CB 4.03Å; N581-A584 HydrophobicContact CB-CB 3.96Å; N581-A584 PolarHBondContact O-N 3.42Å; N581-A584 PolarHBondContact OD1-N 3.13Å; A584-A588 WeakPolarHBondContact O-CB 3.41Å; A584-A588 PolarHBondContact O-N 3.01Å; A584-A588 VanDerWaalsContact O-N 3.08Å
585A97.5Very high97Very high0 Ų030 Ų300%014%0.142CC..Hα-helixtrans-62.8-46.3170.800000111.8L571 L577 A578 N581 V582 R583 A588 L589 L618L571-A585 HydrophobicContact CD1-CB 4.4Å; L571-A585 HydrophobicContact CD2-CB 4.18Å; L577-A585 HydrophobicContact CD2-CB 4.39Å; L577-A585 HydrophobicContact CG-CB 3.98Å; A578-A585 HydrophobicContact CB-CB 4.27Å; N581-A585 WeakPolarHBondContact O-CB 3.19Å; N581-A585 PolarHBondContact O-N 3.32Å; V582-A585 WeakPolarHBondContact O-CB 3.44Å; R583-A585 PolarHBondContact O-N 2.85Å; A585-A588 PolarHBondContact O-N 3.36Å; A585-L589 WeakPolarHBondContact O-CG 3.46Å; A585-L589 PolarHBondContact O-N 2.86Å; A585-L618 HydrophobicContact CB-CD1 4.22Å; A585-L618 HydrophobicContact CB-CD2 3.88Å
586E96Very high97.1Very high74 Ų7430 Ų3035%0.34614%0.141SC..Hα-helixtrans-59.2-47.3176.1-173.8175.3-138.900111.8V582 R583 A588 L589 L618V582-E586 PolarHBondContact O-N 3.17Å; V582-E586 VanDerWaalsContact O-N 3.07Å; R583-E586 WeakPolarHBondContact O-CA 3.37Å; R583-E586 WeakPolarHBondContact O-CB 3.33Å; R583-E586 PolarHBondContact O-N 3.19Å; R583-E586 VanDerWaalsContact O-N 3.07Å; E586-A588 VanDerWaalsContact C-N 3.29Å; E586-A588 PolarHBondContact O-N 3.39Å; E586-L589 VanDerWaalsContact O-CB 3.28Å; E586-L589 WeakPolarHBondContact O-CB 3.37Å; E586-L589 PolarHBondContact O-N 3.38Å; E586-L589 VanDerWaalsContact O-N 3.12Å; E586-L618 HydrophobicContact CB-CD1 3.9Å
587E95.3Very high97.1Very high134 Ų13430 Ų3063%0.62614%0.143SC*.Hα-helixtrans-62.7-34177.8-70176.6-154.700112.8H546 R583 L589 P590H546-E587 IonicContact CD2-OE2 3.87Å; H546-E587 IonicContact NE2-OE2 3.52Å; H546-E587 PolarHBondContact NE2-OE2 3.43Å; H546-E587 VanDerWaalsContact NE2-OE2 3.17Å; R583-E587 WeakPolarHBondContact O-CG 3.28Å; R583-E587 PolarHBondContact O-N 3.48Å; E587-L589 VanDerWaalsContact C-N 3.34Å; E587-P590 WeakPolarHBondContact O-CD 3.34Å
588A97.5Very high97.1Very high1 Ų136.2 Ų36.21%0.00817%0.171CC..Hα-helixtrans-78.3-15.6177.700000113.6L577 A584 A585 E586 R591 I592L577-A588 HydrophobicContact CD2-CB 3.92Å; A584-A588 WeakPolarHBondContact O-CB 3.41Å; A584-A588 PolarHBondContact O-N 3.01Å; A584-A588 VanDerWaalsContact O-N 3.08Å; A585-A588 PolarHBondContact O-N 3.36Å; E586-A588 VanDerWaalsContact C-N 3.29Å; E586-A588 PolarHBondContact O-N 3.39Å; A588-R591 PolarHBondContact O-N 3.24Å; A588-I592 HydrophobicContact CB-CD1 3.85Å; A588-I592 WeakPolarHBondContact O-CG1 3.41Å; A588-I592 PolarHBondContact O-N 3.17Å; A588-I592 VanDerWaalsContact O-N 3.16Å
589L97.7Very high97Very high2 Ų239.6 Ų39.61%0.0119%0.187CC..Hα-helixtrans-54-51.5-173-79.7175.2000114.1V567 L571 A585 E586 E587 R591 I592 V593 M611 A614 E615 L618V567-L589 HydrophobicContact CG1-CD2 3.66Å; L571-L589 HydrophobicContact CD1-CD2 3.33Å; L571-L589 HydrophobicContact CD1-CG 4.22Å; A585-L589 WeakPolarHBondContact O-CG 3.46Å; A585-L589 PolarHBondContact O-N 2.86Å; E586-L589 VanDerWaalsContact O-CB 3.28Å; E586-L589 WeakPolarHBondContact O-CB 3.37Å; E586-L589 PolarHBondContact O-N 3.38Å; E586-L589 VanDerWaalsContact O-N 3.12Å; E587-L589 VanDerWaalsContact C-N 3.34Å; L589-R591 VanDerWaalsContact C-N 3.26Å; L589-R591 PolarHBondContact O-N 3.14Å; L589-I592 PolarHBondContact O-N 3.46Å; L589-I592 VanDerWaalsContact O-N 3.13Å; L589-V593 VanDerWaalsContact O-CG2 3.29Å; L589-V593 WeakPolarHBondContact O-CG2 3.37Å; L589-V593 PolarHBondContact O-N 3.22Å; L589-M611 HydrophobicContact CB-CE 4.43Å; L589-M611 HydrophobicContact CB-SD 3.76Å; L589-M611 HydrophobicContact CD1-SD 4.11Å; L589-M611 HydrophobicContact CG-SD 4.48Å; L589-A614 HydrophobicContact CD1-CB 4.37Å; L589-A614 HydrophobicContact CD2-CB 3.51Å; L589-E615 HydrophobicContact CD1-CG 4.07Å; L589-L618 HydrophobicContact CD1-CD1 3.79Å; L589-L618 HydrophobicContact CG-CD1 4.33Å
590P98Very high97Very high65 Ų6542.4 Ų42.442%0.42220%0.202SC..Hα-helixtrans-58.2-42-174.5-21.431.5000111.8E587 V593 D594 M611E587-P590 WeakPolarHBondContact O-CD 3.34Å; P590-V593 PolarHBondContact O-N 3.42Å; P590-D594 PolarHBondContact O-N 3.38Å; P590-M611 HydrophobicContact CB-CE 3.99Å; P590-M611 HydrophobicContact CG-CE 3.83Å
591R98Very high97Very high88 Ų8851.1 Ų51.133%0.33224%0.24SC..Hα-helixtrans-68.6-38.9-179.5-173.555.9178.6158.96.5112.1L545 E553 A588 L589 D594 L595L545-R591 HydrophobicContact CD2-CG 4.12Å; E553-R591 VanDerWaalsContact CD-NH2 3.29Å; E553-R591 IonicContact OE1-CZ 2.72Å; E553-R591 IonicContact OE1-NE 3.27Å; E553-R591 PolarHBondContact OE1-NE 3.39Å; E553-R591 IonicContact OE1-NH2 3.38Å; E553-R591 PolarHBondContact OE1-NH2 2.87Å; E553-R591 VanDerWaalsContact OE1-NH2 3.14Å; E553-R591 IonicContact OE2-CZ 3.29Å; E553-R591 IonicContact OE2-NE 3.87Å; E553-R591 IonicContact OE2-NH2 3.01Å; E553-R591 PolarHBondContact OE2-NH2 3.37Å; A588-R591 PolarHBondContact O-N 3.24Å; L589-R591 VanDerWaalsContact C-N 3.26Å; L589-R591 PolarHBondContact O-N 3.14Å; R591-D594 PolarHBondContact O-N 3.07Å; R591-L595 HydrophobicContact CG-CD1 4.13Å; R591-L595 VanDerWaalsContact O-CG 3.3Å; R591-L595 WeakPolarHBondContact O-CG 3.18Å; R591-L595 PolarHBondContact O-N 2.69Å; R591-L595 VanDerWaalsContact O-N 3.1Å
592I98.5Very high97Very high0 Ų051.9 Ų51.90%024%0.241CC..Hα-helixtrans-66.3-45.3177.3-64.4163.9000110.6L545 V567 F570 L571 A588 L589 D594 L595 M596L545-I592 HydrophobicContact CD1-CD1 4.41Å; L545-I592 HydrophobicContact CD1-CG1 4.15Å; L545-I592 HydrophobicContact CD2-CG1 3.98Å; V567-I592 HydrophobicContact CG1-CG2 3.93Å; F570-I592 HydrophobicContact CD1-CD1 3.95Å; F570-I592 HydrophobicContact CD1-CG1 4.18Å; F570-I592 HydrophobicContact CD1-CG2 3.73Å; F570-I592 HydrophobicContact CE1-CD1 3.93Å; F570-I592 HydrophobicContact CE1-CG1 4.07Å; F570-I592 HydrophobicContact CE1-CG2 4.37Å; F570-I592 HydrophobicContact CG-CG2 4.43Å; L571-I592 HydrophobicContact CD2-CD1 3.45Å; L571-I592 VanDerWaalsContact CD2-CD1 3.45Å; L571-I592 HydrophobicContact CG-CD1 3.96Å; A588-I592 HydrophobicContact CB-CD1 3.85Å; A588-I592 WeakPolarHBondContact O-CG1 3.41Å; A588-I592 PolarHBondContact O-N 3.17Å; A588-I592 VanDerWaalsContact O-N 3.16Å; L589-I592 PolarHBondContact O-N 3.46Å; L589-I592 VanDerWaalsContact O-N 3.13Å; I592-D594 VanDerWaalsContact C-N 3.25Å; I592-D594 PolarHBondContact O-N 2.94Å; I592-L595 PolarHBondContact O-N 3.41Å; I592-M596 HydrophobicContact CG2-CG 4.25Å; I592-M596 HydrophobicContact CG2-SD 4.09Å; I592-M596 WeakPolarHBondContact O-CB 3.36Å; I592-M596 WeakPolarHBondContact O-CG 3.45Å; I592-M596 PolarHBondContact O-N 3.41Å
593V98.6Very high97.1Very high7 Ų756.4 Ų56.44%0.04227%0.265CS..Hα-helixtrans-56.6-42.1176.2171.10000110.8V567 L589 P590 G597 K607 M611V567-V593 HydrophobicContact CG2-CG2 3.79Å; L589-V593 VanDerWaalsContact O-CG2 3.29Å; L589-V593 WeakPolarHBondContact O-CG2 3.37Å; L589-V593 PolarHBondContact O-N 3.22Å; P590-V593 PolarHBondContact O-N 3.42Å; V593-G597 WeakPolarHBondContact O-CA 3.4Å; V593-G597 PolarHBondContact O-N 3.28Å; V593-K607 HydrophobicContact CG1-CB 3.71Å; V593-K607 HydrophobicContact CG1-CD 4.3Å; V593-K607 HydrophobicContact CG1-CG 3.85Å; V593-M611 HydrophobicContact CG2-CE 4.46Å; V593-M611 HydrophobicContact CG2-SD 4.27Å
594D98.3Very high97.4Very high71 Ų7154.7 Ų54.738%0.3827%0.273SS..Hα-helixtrans-66.3-46.1178.7-82.8-27.2000113P590 R591 I592 G597 E598 K607P590-D594 PolarHBondContact O-N 3.38Å; R591-D594 PolarHBondContact O-N 3.07Å; I592-D594 VanDerWaalsContact C-N 3.25Å; I592-D594 PolarHBondContact O-N 2.94Å; D594-G597 PolarHBondContact O-N 2.64Å; D594-E598 WeakPolarHBondContact O-CB 3.29Å; D594-E598 PolarHBondContact O-N 3.38Å; D594-K607 IonicContact OD1-NZ 3.68Å; D594-K607 PolarHBondContact OD1-NZ 3.1Å
595L98.3Very high97.6Very high19 Ų1959.6 Ų59.610%0.09930%0.295CS..Hα-helixtrans-66.5-46.5-179.8-70.8168.7000112L545 E553 V556 R591 I592 G597 E598 H599L545-L595 HydrophobicContact CD2-CD1 3.92Å; E553-L595 HydrophobicContact CB-CD1 3.7Å; E553-L595 HydrophobicContact CG-CD1 3.72Å; V556-L595 HydrophobicContact CB-CB 4.21Å; V556-L595 HydrophobicContact CB-CD1 4.38Å; V556-L595 HydrophobicContact CG1-CB 3.79Å; V556-L595 HydrophobicContact CG2-CD1 3.99Å; R591-L595 HydrophobicContact CG-CD1 4.13Å; R591-L595 VanDerWaalsContact O-CG 3.3Å; R591-L595 WeakPolarHBondContact O-CG 3.18Å; R591-L595 PolarHBondContact O-N 2.69Å; R591-L595 VanDerWaalsContact O-N 3.1Å; I592-L595 PolarHBondContact O-N 3.41Å; L595-G597 VanDerWaalsContact C-N 3.33Å; L595-E598 PolarHBondContact O-N 3.11Å; L595-H599 PolarHBondContact O-N 3.35Å; L595-H599 VanDerWaalsContact O-N 3.07Å
596M98.5Very high97.6Very high0 Ų062 Ų620%030%0.304CS..Hα-helixtrans-64.2-41.3174.6-70.1-168.270.600111V556 A564 H566 V567 F570 I592 E598 H599 L600 W602V556-M596 HydrophobicContact CG1-CB 4.39Å; V556-M596 HydrophobicContact CG1-CG 3.32Å; V556-M596 HydrophobicContact CG1-SD 4.48Å; A564-M596 HydrophobicContact CB-CE 4.35Å; H566-M596 WeakPolarHBondContact O-CE 3.42Å; V567-M596 HydrophobicContact CB-SD 4.45Å; V567-M596 HydrophobicContact CG2-SD 4.04Å; F570-M596 HydrophobicContact CB-SD 4.15Å; I592-M596 HydrophobicContact CG2-CG 4.25Å; I592-M596 HydrophobicContact CG2-SD 4.09Å; I592-M596 WeakPolarHBondContact O-CB 3.36Å; I592-M596 WeakPolarHBondContact O-CG 3.45Å; I592-M596 PolarHBondContact O-N 3.41Å; M596-E598 VanDerWaalsContact C-N 3.33Å; M596-E598 PolarHBondContact O-N 3.06Å; M596-H599 PolarHBondContact O-N 2.93Å; M596-L600 HydrophobicContact CE-CD1 3.9Å; M596-L600 VanDerWaalsContact O-CB 3.3Å; M596-L600 WeakPolarHBondContact O-CB 3.48Å; M596-L600 PolarHBondContact O-N 3.18Å; M596-W602 HydrophobicContact CB-CE3 4.38Å; M596-W602 HydrophobicContact CB-CH2 3.62Å; M596-W602 HydrophobicContact CB-CZ2 4.33Å; M596-W602 HydrophobicContact CB-CZ3 3.63Å; M596-W602 HydrophobicContact CE-CH2 3.95Å; M596-W602 HydrophobicContact CE-CZ2 4.27Å; M596-W602 HydrophobicContact SD-CH2 4.2Å
597G98.2Very high97.7Very high3 Ų361.1 Ų61.13%0.03130%0.299CS..Hα-helixtrans-65.8-33.3178.700000113.5V593 D594 L595 K601 W602V593-G597 WeakPolarHBondContact O-CA 3.4Å; V593-G597 PolarHBondContact O-N 3.28Å; D594-G597 PolarHBondContact O-N 2.64Å; L595-G597 VanDerWaalsContact C-N 3.33Å; G597-K601 CarbonylContact O-C 3.56Å; G597-K601 WeakPolarHBondContact O-CA 3.33Å; G597-K601 PolarHBondContact O-N 2.93Å; G597-W602 VanDerWaalsContact CA-CE3 3.46Å; G597-W602 PolarHBondContact O-N 3.42Å
598E97.4Very high97.8Very high131 Ų13160.9 Ų60.961%0.61230%0.296SS*.Hα-helixtrans-66-49.6171-174.7-177.9161.600110.7D594 L595 M596 K601D594-E598 WeakPolarHBondContact O-CB 3.29Å; D594-E598 PolarHBondContact O-N 3.38Å; L595-E598 PolarHBondContact O-N 3.11Å; M596-E598 VanDerWaalsContact C-N 3.33Å; M596-E598 PolarHBondContact O-N 3.06Å; E598-K601 PolarHBondContact O-N 3.12Å
599H96.8Very high97.9Very high72 Ų7264.1 Ų64.133%0.33331%0.311SS..Hα-helixtrans-68.8-44.9-175.5-16878.3000113.2E557 C560 L595 M596 K601E557-H599 IonicContact OE1-CE1 2.7Å; C560-H599 WeakPolarHBondContact CB-CD2 3.5Å; L595-H599 PolarHBondContact O-N 3.35Å; L595-H599 VanDerWaalsContact O-N 3.07Å; M596-H599 PolarHBondContact O-N 2.93Å; H599-K601 VanDerWaalsContact C-N 3.33Å
600L97.1Very high97.9Very high61 Ų6164.1 Ų64.132%0.31931%0.311SS..THydrogen-bonded Turntrans-89.94.1179.9-60.2175.7000113C560 M596 W602C560-L600 HydrophobicContact CB-CD2 4.2Å; M596-L600 HydrophobicContact CE-CD1 3.9Å; M596-L600 VanDerWaalsContact O-CB 3.3Å; M596-L600 WeakPolarHBondContact O-CB 3.48Å; M596-L600 PolarHBondContact O-N 3.18Å; L600-W602 HydrophobicContact CB-CZ2 4.49Å; L600-W602 HydrophobicContact CD1-CH2 4.4Å; L600-W602 HydrophobicContact CD1-CZ2 3.54Å; L600-W602 PolarHBondContact O-N 2.95Å
601K97.2Very high97.9Very high185 Ų18563.1 Ų63.180%0.80430%0.301SS*.THydrogen-bonded Turntrans57.344176.6-54.5177.2-179175.90113.7G597 E598 H599G597-K601 CarbonylContact O-C 3.56Å; G597-K601 WeakPolarHBondContact O-CA 3.33Å; G597-K601 PolarHBondContact O-N 2.93Å; E598-K601 PolarHBondContact O-N 3.12Å; H599-K601 VanDerWaalsContact C-N 3.33Å
602W97.6Very high97.9Very high37 Ų3766.2 Ų66.214%0.1431%0.313CS..  trans-70.9137.6176.2-64.6-15.3000112.1C565 V567 M596 G597 L600 R606 K607 E610C565-W602 WeakPolarHBondContact O-CZ2 3.46Å; V567-W602 HydrophobicContact CG2-CH2 3.97Å; V567-W602 HydrophobicContact CG2-CZ3 3.92Å; M596-W602 HydrophobicContact CB-CE3 4.38Å; M596-W602 HydrophobicContact CB-CH2 3.62Å; M596-W602 HydrophobicContact CB-CZ2 4.33Å; M596-W602 HydrophobicContact CB-CZ3 3.63Å; M596-W602 HydrophobicContact CE-CH2 3.95Å; M596-W602 HydrophobicContact CE-CZ2 4.27Å; M596-W602 HydrophobicContact SD-CH2 4.2Å; G597-W602 VanDerWaalsContact CA-CE3 3.46Å; G597-W602 PolarHBondContact O-N 3.42Å; L600-W602 HydrophobicContact CB-CZ2 4.49Å; L600-W602 HydrophobicContact CD1-CH2 4.4Å; L600-W602 HydrophobicContact CD1-CZ2 3.54Å; L600-W602 PolarHBondContact O-N 2.95Å; W602-R606 HydrophobicContact CB-CB 4Å; W602-R606 HydrophobicContact CB-CG 3.87Å; W602-R606 HydrophobicContact CD2-CG 3.86Å; W602-R606 HydrophobicContact CG-CB 4.22Å; W602-R606 HydrophobicContact CG-CG 3.53Å; W602-K607 HydrophobicContact CB-CG 4.19Å; W602-K607 HydrophobicContact CE3-CG 4.41Å; W602-E610 HydrophobicContact CD2-CG 4.43Å; W602-E610 HydrophobicContact CE3-CG 3.96Å; W602-E610 HydrophobicContact CH2-CB 4.4Å; W602-E610 HydrophobicContact CH2-CG 3.64Å; W602-E610 HydrophobicContact CZ2-CG 4.13Å; W602-E610 HydrophobicContact CZ3-CB 4.02Å; W602-E610 HydrophobicContact CZ3-CG 3.56Å
603N97.4Very high97.8Very high104 Ų10469.9 Ų69.956%0.55633%0.33SS*.  trans-75.9170.4167.466.829.8000111.1E605 R606 K607N603-E605 PolarHBondContact O-N 3.39Å; N603-E605 PolarHBondContact OD1-N 2.87Å; N603-R606 PolarHBondContact O-N 3.43Å; N603-R606 WeakPolarHBondContact OD1-CB 3.32Å; N603-R606 PolarHBondContact OD1-N 2.79Å; N603-K607 PolarHBondContact O-N 2.9Å
604S97.7Very high97.8Very high92 Ų9269.6 Ų69.664%0.64333%0.328SS*.Hα-helixtrans-59.7-31.9-178.4-51.90000113.6K608S604-K608 WeakPolarHBondContact O-CG 3.41Å; S604-K608 PolarHBondContact O-N 3.42Å; S604-K608 VanDerWaalsContact O-N 3.17Å
605E97.7Very high97.7Very high105 Ų10569.1 Ų69.149%0.49132%0.324SS..Hα-helixtrans-71.2-43.4178.3-172.955.4-148.200111.3N603 K607 K608 Q609 R612N603-E605 PolarHBondContact O-N 3.39Å; N603-E605 PolarHBondContact OD1-N 2.87Å; E605-K607 VanDerWaalsContact C-N 3.34Å; E605-K607 PolarHBondContact O-N 3.39Å; E605-K608 WeakPolarHBondContact O-CB 3.46Å; E605-K608 PolarHBondContact O-N 3.5Å; E605-Q609 PolarHBondContact O-N 2.99Å; E605-R612 IonicContact OE1-NH2 3.67Å
606R97.6Very high97.6Very high51 Ų5172.1 Ų72.119%0.19234%0.34CS..Hα-helixtrans-62.4-41.5175.2-179.858.2178.2-137.9-1.8111.3H566 W602 N603 K608 Q609 E610H566-R606 PolarHBondContact CE1-NH2 2.92Å; H566-R606 PolarHBondContact ND1-NH2 3.49Å; H566-R606 PolarHBondContact NE2-NH2 3.25Å; W602-R606 HydrophobicContact CB-CB 4Å; W602-R606 HydrophobicContact CB-CG 3.87Å; W602-R606 HydrophobicContact CD2-CG 3.86Å; W602-R606 HydrophobicContact CG-CB 4.22Å; W602-R606 HydrophobicContact CG-CG 3.53Å; N603-R606 PolarHBondContact O-N 3.43Å; N603-R606 WeakPolarHBondContact OD1-CB 3.32Å; N603-R606 PolarHBondContact OD1-N 2.79Å; R606-K608 VanDerWaalsContact C-N 3.32Å; R606-K608 PolarHBondContact O-N 3.37Å; R606-Q609 WeakPolarHBondContact O-CB 3.49Å; R606-Q609 PolarHBondContact O-N 2.77Å; R606-E610 HydrophobicContact CG-CG 4.32Å; R606-E610 IonicContact CZ-OE1 3.5Å; R606-E610 IonicContact NE-OE1 3.37Å; R606-E610 PolarHBondContact NE-OE1 2.99Å; R606-E610 IonicContact NH2-OE1 2.74Å; R606-E610 PolarHBondContact NH2-OE1 3.04Å; R606-E610 VanDerWaalsContact O-CG 3.28Å; R606-E610 WeakPolarHBondContact O-CG 3.3Å; R606-E610 PolarHBondContact O-N 2.87Å
607K98.4Very high97.6Very high55 Ų5572.6 Ų72.624%0.23934%0.342CS..Hα-helixtrans-57.1-43.8173.5-73.9-172.3171.1-166.10112.3V593 D594 W602 N603 E605 E610 M611V593-K607 HydrophobicContact CG1-CB 3.71Å; V593-K607 HydrophobicContact CG1-CD 4.3Å; V593-K607 HydrophobicContact CG1-CG 3.85Å; D594-K607 IonicContact OD1-NZ 3.68Å; D594-K607 PolarHBondContact OD1-NZ 3.1Å; W602-K607 HydrophobicContact CB-CG 4.19Å; W602-K607 HydrophobicContact CE3-CG 4.41Å; N603-K607 PolarHBondContact O-N 2.9Å; E605-K607 VanDerWaalsContact C-N 3.34Å; E605-K607 PolarHBondContact O-N 3.39Å; K607-E610 PolarHBondContact O-N 2.99Å; K607-M611 PolarHBondContact O-N 3.28Å
608K98.1Very high97.5Very high130 Ų13072.4 Ų72.457%0.56534%0.341SS*.Hα-helixtrans-66-38.4175.8-71.9175.7-178.1179.80112.7S604 E605 R606 R612S604-K608 WeakPolarHBondContact O-CG 3.41Å; S604-K608 PolarHBondContact O-N 3.42Å; S604-K608 VanDerWaalsContact O-N 3.17Å; E605-K608 WeakPolarHBondContact O-CB 3.46Å; E605-K608 PolarHBondContact O-N 3.5Å; R606-K608 VanDerWaalsContact C-N 3.32Å; R606-K608 PolarHBondContact O-N 3.37Å; K608-R612 WeakPolarHBondContact O-CG 3.48Å; K608-R612 PolarHBondContact O-N 3.39Å; K608-R612 VanDerWaalsContact O-N 3.11Å
609Q98Very high97.3Very high69 Ų6970.5 Ų70.532%0.32233%0.33SS..Hα-helixtrans-62.4-50.1175.1-179.1-179.31.800111.1E605 R606 M611 R612 E613E605-Q609 PolarHBondContact O-N 2.99Å; R606-Q609 WeakPolarHBondContact O-CB 3.49Å; R606-Q609 PolarHBondContact O-N 2.77Å; Q609-M611 VanDerWaalsContact C-N 3.3Å; Q609-M611 PolarHBondContact O-N 2.72Å; Q609-R612 PolarHBondContact O-N 3.31Å; Q609-R612 VanDerWaalsContact O-N 3.16Å; Q609-E613 HydrophobicContact CG-CG 4.36Å; Q609-E613 VanDerWaalsContact CG-OE1 3.3Å; Q609-E613 WeakPolarHBondContact CG-OE1 3.42Å; Q609-E613 PolarHBondContact NE2-OE1 3.33Å; Q609-E613 WeakPolarHBondContact O-CG 3.44Å; Q609-E613 PolarHBondContact O-N 3.11Å
610E98.4Very high97.2Very high1 Ų168.7 Ų68.71%0.00533%0.325CS..Hα-helixtrans-59.5-41178.6-70.8-74.7162.300112H566 V567 W602 R606 K607 A614H566-E610 WeakPolarHBondContact CA-OE2 3.43Å; H566-E610 IonicContact CE1-OE1 2.95Å; H566-E610 IonicContact CG-OE1 3.6Å; H566-E610 IonicContact CG-OE2 2.63Å; H566-E610 IonicContact ND1-OE1 3.99Å; H566-E610 PolarHBondContact ND1-OE1 2.8Å; H566-E610 IonicContact ND1-OE2 3.54Å; V567-E610 HydrophobicContact CG2-CB 3.94Å; V567-E610 PolarHBondContact N-OE2 2.81Å; W602-E610 HydrophobicContact CD2-CG 4.43Å; W602-E610 HydrophobicContact CE3-CG 3.96Å; W602-E610 HydrophobicContact CH2-CB 4.4Å; W602-E610 HydrophobicContact CH2-CG 3.64Å; W602-E610 HydrophobicContact CZ2-CG 4.13Å; W602-E610 HydrophobicContact CZ3-CB 4.02Å; W602-E610 HydrophobicContact CZ3-CG 3.56Å; R606-E610 HydrophobicContact CG-CG 4.32Å; R606-E610 IonicContact CZ-OE1 3.5Å; R606-E610 IonicContact NE-OE1 3.37Å; R606-E610 PolarHBondContact NE-OE1 2.99Å; R606-E610 IonicContact NH2-OE1 2.74Å; R606-E610 PolarHBondContact NH2-OE1 3.04Å; R606-E610 VanDerWaalsContact O-CG 3.28Å; R606-E610 WeakPolarHBondContact O-CG 3.3Å; R606-E610 PolarHBondContact O-N 2.87Å; K607-E610 PolarHBondContact O-N 2.99Å; E610-A614 WeakPolarHBondContact O-CB 3.12Å; E610-A614 PolarHBondContact O-N 3.15Å
611M98Very high97.2Very high45 Ų4566.5 Ų66.522%0.22231%0.314CS..Hα-helixtrans-58.3-51.9173.6-172.667.498.400111.4L589 P590 V593 K607 Q609 E613 A614 E615L589-M611 HydrophobicContact CB-CE 4.43Å; L589-M611 HydrophobicContact CB-SD 3.76Å; L589-M611 HydrophobicContact CD1-SD 4.11Å; L589-M611 HydrophobicContact CG-SD 4.48Å; P590-M611 HydrophobicContact CB-CE 3.99Å; P590-M611 HydrophobicContact CG-CE 3.83Å; V593-M611 HydrophobicContact CG2-CE 4.46Å; V593-M611 HydrophobicContact CG2-SD 4.27Å; K607-M611 PolarHBondContact O-N 3.28Å; Q609-M611 VanDerWaalsContact C-N 3.3Å; Q609-M611 PolarHBondContact O-N 2.72Å; M611-E613 PolarHBondContact O-N 2.93Å; M611-A614 PolarHBondContact O-N 3.36Å; M611-E615 WeakPolarHBondContact O-CB 3.32Å; M611-E615 WeakPolarHBondContact O-CG 3.49Å; M611-E615 PolarHBondContact O-N 3.36Å
612R97.9Very high97.2Very high153 Ų15357.7 Ų57.758%0.57728%0.276SS*.Hα-helixtrans-62-43.3-179.7-73.7-174.3-66.4-176.3-3.8112.8E605 K608 Q609 N616E605-R612 IonicContact OE1-NH2 3.67Å; K608-R612 WeakPolarHBondContact O-CG 3.48Å; K608-R612 PolarHBondContact O-N 3.39Å; K608-R612 VanDerWaalsContact O-N 3.11Å; Q609-R612 PolarHBondContact O-N 3.31Å; Q609-R612 VanDerWaalsContact O-N 3.16Å; R612-N616 WeakPolarHBondContact O-CB 3.48Å; R612-N616 PolarHBondContact O-N 3.2Å
613E97.5Very high96.9Very high76 Ų7656.5 Ų56.536%0.35527%0.274SS..Hα-helixtrans-65.7-41.8179-73.3176.5-174.600111.3H566 Q609 M611 N616 F617H566-E613 IonicContact CE1-OE2 2.66Å; H566-E613 IonicContact ND1-OE2 3.65Å; Q609-E613 HydrophobicContact CG-CG 4.36Å; Q609-E613 VanDerWaalsContact CG-OE1 3.3Å; Q609-E613 WeakPolarHBondContact CG-OE1 3.42Å; Q609-E613 PolarHBondContact NE2-OE1 3.33Å; Q609-E613 WeakPolarHBondContact O-CG 3.44Å; Q609-E613 PolarHBondContact O-N 3.11Å; M611-E613 PolarHBondContact O-N 2.93Å; E613-N616 PolarHBondContact O-N 3.45Å; E613-F617 WeakPolarHBondContact O-CB 3.26Å; E613-F617 PolarHBondContact O-N 3.38Å
614A98.1Very high96.5Very high1 Ų153.6 Ų53.61%0.00826%0.258CS..Hα-helixtrans-66.6-44.3176.600000111.9V567 V568 L589 E610 M611 N616 F617 L618V567-A614 HydrophobicContact CB-CB 4.29Å; V567-A614 HydrophobicContact CG1-CB 3.99Å; V568-A614 HydrophobicContact CG2-CB 4.21Å; L589-A614 HydrophobicContact CD1-CB 4.37Å; L589-A614 HydrophobicContact CD2-CB 3.51Å; E610-A614 WeakPolarHBondContact O-CB 3.12Å; E610-A614 PolarHBondContact O-N 3.15Å; M611-A614 PolarHBondContact O-N 3.36Å; A614-N616 VanDerWaalsContact C-N 3.31Å; A614-N616 PolarHBondContact O-N 3.01Å; A614-F617 WeakPolarHBondContact O-CB 3.3Å; A614-F617 PolarHBondContact O-N 2.86Å; A614-L618 WeakPolarHBondContact O-CG 3.48Å; A614-L618 PolarHBondContact O-N 3.18Å
615E96.6Very high95.8Very high61 Ų6151.3 Ų51.329%0.28525%0.25SC..Hα-helixtrans-58.8-42.7173.4-77.3179.8-150.700112.2L589 M611 L618 K619L589-E615 HydrophobicContact CD1-CG 4.07Å; M611-E615 WeakPolarHBondContact O-CB 3.32Å; M611-E615 WeakPolarHBondContact O-CG 3.49Å; M611-E615 PolarHBondContact O-N 3.36Å; E615-L618 PolarHBondContact O-N 3.31Å; E615-K619 WeakPolarHBondContact O-CB 3.34Å; E615-K619 VanDerWaalsContact O-CG 3.24Å; E615-K619 WeakPolarHBondContact O-CG 3.38Å; E615-K619 PolarHBondContact O-N 3.45Å; E615-K619 IonicContact OE2-NZ 3.12Å; E615-K619 PolarHBondContact OE2-NZ 2.76Å; E615-K619 VanDerWaalsContact OE2-NZ 3.15Å
616N96.3Very high95Very high82 Ų8247.6 Ų47.644%0.43923%0.233SC..Hα-helixtrans-62.5-45.2177-174.358.3000111R612 E613 A614 L618 K619 S620R612-N616 WeakPolarHBondContact O-CB 3.48Å; R612-N616 PolarHBondContact O-N 3.2Å; E613-N616 PolarHBondContact O-N 3.45Å; A614-N616 VanDerWaalsContact C-N 3.31Å; A614-N616 PolarHBondContact O-N 3.01Å; N616-L618 VanDerWaalsContact C-N 3.34Å; N616-L618 PolarHBondContact O-N 2.96Å; N616-K619 PolarHBondContact O-N 2.89Å; N616-S620 PolarHBondContact O-N 2.9Å; N616-S620 PolarHBondContact O-OG 3.12Å
617F97.6Very high93.4Very high10 Ų1051 Ų514%0.04425%0.246CC..Hα-helixtrans-56.9-44.7174.3168.6-97.4000112.4V568 A572 A578 E613 A614 E621 M622V568-F617 HydrophobicContact CG1-CD1 3.89Å; V568-F617 HydrophobicContact CG1-CD2 3.75Å; V568-F617 HydrophobicContact CG1-CE1 3.94Å; V568-F617 HydrophobicContact CG1-CE2 3.82Å; V568-F617 HydrophobicContact CG1-CG 3.79Å; V568-F617 HydrophobicContact CG1-CZ 3.91Å; V568-F617 HydrophobicContact CG2-CB 3.89Å; V568-F617 HydrophobicContact CG2-CD1 4.1Å; V568-F617 HydrophobicContact CG2-CG 3.93Å; A572-F617 HydrophobicContact CB-CE1 3.97Å; A572-F617 HydrophobicContact CB-CZ 3.62Å; A578-F617 HydrophobicContact CB-CE1 3.91Å; E613-F617 WeakPolarHBondContact O-CB 3.26Å; E613-F617 PolarHBondContact O-N 3.38Å; A614-F617 WeakPolarHBondContact O-CB 3.3Å; A614-F617 PolarHBondContact O-N 2.86Å; F617-E621 HydrophobicContact CD2-CB 3.95Å; F617-E621 HydrophobicContact CD2-CG 4.13Å; F617-E621 WeakPolarHBondContact CD2-OE1 3Å; F617-E621 HydrophobicContact CE2-CB 3.95Å; F617-E621 HydrophobicContact CE2-CG 4.46Å; F617-E621 WeakPolarHBondContact O-CB 3.41Å; F617-E621 PolarHBondContact O-N 3Å; F617-M622 HydrophobicContact CD1-CG 3.99Å; F617-M622 HydrophobicContact CE1-CE 4.11Å; F617-M622 HydrophobicContact CE1-CG 3.4Å; F617-M622 HydrophobicContact CE1-SD 3.85Å; F617-M622 HydrophobicContact CE2-CE 3.68Å; F617-M622 HydrophobicContact CE2-CG 4.39Å; F617-M622 HydrophobicContact CZ-CE 3.3Å; F617-M622 HydrophobicContact CZ-CG 3.64Å; F617-M622 HydrophobicContact CZ-SD 3.6Å; F617-M622 PolarHBondContact O-N 2.87Å
618L97Very high91.7Very high0 Ų050.3 Ų50.30%025%0.246CC..Hα-helixtrans-63.2-43.1176.6-64.9-178.5000111.2A578 V582 A585 E586 L589 A614 E615 N616 M622 G623 L624A578-L618 HydrophobicContact CB-CD2 3.8Å; V582-L618 HydrophobicContact CG2-CB 3.85Å; V582-L618 HydrophobicContact CG2-CD2 3.87Å; V582-L618 HydrophobicContact CG2-CG 4.33Å; A585-L618 HydrophobicContact CB-CD1 4.22Å; A585-L618 HydrophobicContact CB-CD2 3.88Å; E586-L618 HydrophobicContact CB-CD1 3.9Å; L589-L618 HydrophobicContact CD1-CD1 3.79Å; L589-L618 HydrophobicContact CG-CD1 4.33Å; A614-L618 WeakPolarHBondContact O-CG 3.48Å; A614-L618 PolarHBondContact O-N 3.18Å; E615-L618 PolarHBondContact O-N 3.31Å; N616-L618 VanDerWaalsContact C-N 3.34Å; N616-L618 PolarHBondContact O-N 2.96Å; L618-M622 HydrophobicContact CD2-CB 4.44Å; L618-M622 HydrophobicContact CD2-CG 4.26Å; L618-M622 CarbonylContact O-C 3.6Å; L618-M622 PolarHBondContact O-N 3.44Å; L618-G623 PolarHBondContact O-N 3.48Å; L618-L624 HydrophobicContact CB-CB 4.45Å; L618-L624 HydrophobicContact CB-CD2 3.97Å; L618-L624 VanDerWaalsContact O-CB 3.23Å; L618-L624 WeakPolarHBondContact O-CB 3.16Å; L618-L624 PolarHBondContact O-N 3.29Å; L618-L624 VanDerWaalsContact O-N 3.07Å
619K93.3Very high89.5Confident91 Ų9144.4 Ų44.440%0.39622%0.221SC..Hα-helixtrans-64.9-49.5-179.7-74.8166.4-176.6159.10112.7E615 N616 L624 G625E615-K619 WeakPolarHBondContact O-CB 3.34Å; E615-K619 VanDerWaalsContact O-CG 3.24Å; E615-K619 WeakPolarHBondContact O-CG 3.38Å; E615-K619 PolarHBondContact O-N 3.45Å; E615-K619 IonicContact OE2-NZ 3.12Å; E615-K619 PolarHBondContact OE2-NZ 2.76Å; E615-K619 VanDerWaalsContact OE2-NZ 3.15Å; N616-K619 PolarHBondContact O-N 2.89Å; K619-L624 HydrophobicContact CG-CD2 4.11Å; K619-L624 HydrophobicContact CG-CG 4.41Å; K619-G625 VanDerWaalsContact O-CA 3.26Å; K619-G625 WeakPolarHBondContact O-CA 3.25Å; K619-G625 PolarHBondContact O-N 3.37Å
620S93.4Very high87.4Confident33 Ų3346 Ų4623%0.23123%0.229CC..Hα-helixtrans-86.1-53.1-175.255.90000112.7S384 N616S384-S620 VanDerWaalsContact CB-O 3.25Å; S384-S620 WeakPolarHBondContact CB-O 3.4Å; S384-S620 PolarHBondContact OG-O 3.18Å; N616-S620 PolarHBondContact O-N 2.9Å; N616-S620 PolarHBondContact O-OG 3.12Å
621E96.8Very high85.2Confident15 Ų1549.5 Ų49.57%0.0726%0.264CS..Hα-helixtrans-92.3-23.8-165.1-57-169-119.400113.7R115 Q382 W416 F617R115-E621 IonicContact CZ-OE2 3.43Å; R115-E621 VanDerWaalsContact CZ-OE2 3.28Å; R115-E621 IonicContact NH1-OE2 3.79Å; R115-E621 PolarHBondContact NH1-OE2 3.45Å; R115-E621 IonicContact NH2-OE2 3.9Å; R115-E621 PolarHBondContact NH2-OE2 3.28Å; Q382-E621 WeakPolarHBondContact CA-OE2 3.36Å; Q382-E621 HydrophobicContact CB-CG 4.13Å; W416-E621 WeakPolarHBondContact CA-O 3.43Å; F617-E621 HydrophobicContact CD2-CB 3.95Å; F617-E621 HydrophobicContact CD2-CG 4.13Å; F617-E621 WeakPolarHBondContact CD2-OE1 3Å; F617-E621 HydrophobicContact CE2-CB 3.95Å; F617-E621 HydrophobicContact CE2-CG 4.46Å; F617-E621 WeakPolarHBondContact O-CB 3.41Å; F617-E621 PolarHBondContact O-N 3Å
622M96.9Very high83.4Confident1 Ų148.3 Ų48.31%0.00526%0.259CS..SBendtrans-109.37.1-176.4-54.3-71.8112.400113.6S415 W416 A578 F579 V582 F617 L618S415-M622 PolarHBondContact N-O 3.03Å; S415-M622 CarbonylContact O-C 3.58Å; S415-M622 WeakPolarHBondContact O-CA 3.48Å; W416-M622 HydrophobicContact CB-CE 3.93Å; A578-M622 HydrophobicContact CB-CG 4.07Å; A578-M622 HydrophobicContact CB-SD 4.04Å; F579-M622 HydrophobicContact CD2-SD 4.02Å; F579-M622 HydrophobicContact CE2-CE 4.12Å; F579-M622 HydrophobicContact CE2-SD 3.97Å; F579-M622 HydrophobicContact CG-SD 4.43Å; F579-M622 HydrophobicContact CZ-CE 4.04Å; F579-M622 HydrophobicContact CZ-SD 4.34Å; V582-M622 HydrophobicContact CB-CB 4.48Å; V582-M622 HydrophobicContact CG2-CB 3.65Å; F617-M622 HydrophobicContact CD1-CG 3.99Å; F617-M622 HydrophobicContact CE1-CE 4.11Å; F617-M622 HydrophobicContact CE1-CG 3.4Å; F617-M622 HydrophobicContact CE1-SD 3.85Å; F617-M622 HydrophobicContact CE2-CE 3.68Å; F617-M622 HydrophobicContact CE2-CG 4.39Å; F617-M622 HydrophobicContact CZ-CE 3.3Å; F617-M622 HydrophobicContact CZ-CG 3.64Å; F617-M622 HydrophobicContact CZ-SD 3.6Å; F617-M622 PolarHBondContact O-N 2.87Å; L618-M622 HydrophobicContact CD2-CB 4.44Å; L618-M622 HydrophobicContact CD2-CG 4.26Å; L618-M622 CarbonylContact O-C 3.6Å; L618-M622 PolarHBondContact O-N 3.44Å
623G91.4Very high81.6Confident11 Ų1151.7 Ų51.711%0.11327%0.272CS..SBendtrans84.34.8169.800000116.6S415 L618 G625 L626S415-G623 PolarHBondContact O-N 3.16Å; S415-G623 WeakPolarHBondContact OG-CA 3.48Å; L618-G623 PolarHBondContact O-N 3.48Å; G623-G625 VanDerWaalsContact C-N 3.27Å; G623-G625 PolarHBondContact O-N 3.45Å; G623-L626 WeakPolarHBondContact O-CB 3.5Å; G623-L626 PolarHBondContact O-N 3.39Å
624L89.1Confident80.4Confident43 Ų4352.8 Ų52.823%0.22528%0.278CS..THydrogen-bonded Turntrans-64.1-33178.1178.266.9000112.2V582 R583 L618 K619V582-L624 HydrophobicContact CB-CB 4.44Å; V582-L624 HydrophobicContact CG1-CB 3.94Å; V582-L624 HydrophobicContact CG1-CD1 4Å; V582-L624 HydrophobicContact CG2-CB 3.64Å; R583-L624 HydrophobicContact CG-CD1 4.35Å; L618-L624 HydrophobicContact CB-CB 4.45Å; L618-L624 HydrophobicContact CB-CD2 3.97Å; L618-L624 VanDerWaalsContact O-CB 3.23Å; L618-L624 WeakPolarHBondContact O-CB 3.16Å; L618-L624 PolarHBondContact O-N 3.29Å; L618-L624 VanDerWaalsContact O-N 3.07Å; K619-L624 HydrophobicContact CG-CD2 4.11Å; K619-L624 HydrophobicContact CG-CG 4.41Å
625G83.9Confident79.3Confident45 Ų4557.6 Ų57.646%0.46430%0.304SS..THydrogen-bonded Turntrans-88.8-0.1-178.900000114.6K619 G623 R627K619-G625 VanDerWaalsContact O-CA 3.26Å; K619-G625 WeakPolarHBondContact O-CA 3.25Å; K619-G625 PolarHBondContact O-N 3.37Å; G623-G625 VanDerWaalsContact C-N 3.27Å; G623-G625 PolarHBondContact O-N 3.45Å; G625-R627 PolarHBondContact O-N 3.27Å
626L81.3Confident78.6Confident27 Ų2755.9 Ų55.914%0.14130%0.297CS..SBendtrans-61.7129174.8-74.1175.5000109.5P385 E387 V390 S415 G623 V628P385-L626 HydrophobicContact CG-CD1 4.27Å; P385-L626 WeakPolarHBondContact O-CD2 3.33Å; E387-L626 HydrophobicContact CB-CD2 4.36Å; V390-L626 HydrophobicContact CG2-CD1 3.9Å; S415-L626 VanDerWaalsContact OG-CD1 3.28Å; S415-L626 WeakPolarHBondContact OG-CD1 3.38Å; G623-L626 WeakPolarHBondContact O-CB 3.5Å; G623-L626 PolarHBondContact O-N 3.39Å; L626-V628 VanDerWaalsContact C-N 3.31Å; L626-V628 PolarHBondContact O-N 2.91Å
627R64.4Low78Confident121 Ų12155.3 Ų55.346%0.45730%0.297SS..  trans-71.389.1-179.6-70.9179.6177.3-173.8-3109.4G625 M629 E630G625-R627 PolarHBondContact O-N 3.27Å; R627-M629 PolarHBondContact O-N 3.49Å; R627-E630 HydrophobicContact CB-CB 4.12Å; R627-E630 HydrophobicContact CB-CG 3.95Å; R627-E630 VanDerWaalsContact CD-OE1 3.28Å; R627-E630 WeakPolarHBondContact CD-OE1 3.09Å; R627-E630 VanDerWaalsContact CD-OE2 3.31Å; R627-E630 WeakPolarHBondContact CD-OE2 3.29Å; R627-E630 IonicContact CZ-OE1 3.62Å; R627-E630 IonicContact NE-OE1 3.61Å; R627-E630 IonicContact NH1-OE1 3.86Å; R627-E630 PolarHBondContact NH1-OE1 2.9Å; R627-E630 PolarHBondContact O-N 3.1Å
628V60.9Low77.2Confident41 Ų4161.5 Ų61.525%0.24833%0.328CS..THydrogen-bonded Turntrans-54.3-25.4177.51780000112R409 L626 V711 V712R409-V628 HydrophobicContact CG-CG1 4.48Å; L626-V628 VanDerWaalsContact C-N 3.31Å; L626-V628 PolarHBondContact O-N 2.91Å; V628-V711 HydrophobicContact CG1-CG1 3.35Å; V628-V711 WeakPolarHBondContact CG1-O 3.29Å; V628-V711 WeakPolarHBondContact O-CG1 3.2Å; V628-V712 HydrophobicContact CG1-CG2 4.34Å
629M53.1Low76.5Confident7 Ų767.8 Ų67.83%0.03436%0.362CS..THydrogen-bonded Turntrans-96.2-14.1-175.8-68.8-172.859.700116.2R627 G631 V632 I689 Q702 F703 A706R627-M629 PolarHBondContact O-N 3.49Å; M629-G631 PolarHBondContact O-N 2.65Å; M629-V632 PolarHBondContact O-N 3.36Å; M629-I689 HydrophobicContact CB-CD1 4.22Å; M629-I689 HydrophobicContact CB-CG1 4.31Å; M629-I689 HydrophobicContact CE-CD1 3.59Å; M629-I689 HydrophobicContact CE-CG1 3.89Å; M629-I689 HydrophobicContact SD-CG1 4.25Å; M629-Q702 HydrophobicContact CE-CB 3.9Å; M629-Q702 HydrophobicContact CE-CG 3.76Å; M629-Q702 PolarHBondContact O-NE2 3.22Å; M629-F703 HydrophobicContact CE-CB 3.71Å; M629-F703 HydrophobicContact CE-CD2 4.47Å; M629-F703 HydrophobicContact SD-CB 4.22Å; M629-F703 HydrophobicContact SD-CD2 3.88Å; M629-A706 HydrophobicContact CG-CB 4.41Å
630E52.6Low76Confident103 Ų10366.6 Ų66.648%0.48136%0.358SS..THydrogen-bonded Turntrans-68.6117.1176.3-84.2-174.6163.300110.1R627R627-E630 HydrophobicContact CB-CB 4.12Å; R627-E630 HydrophobicContact CB-CG 3.95Å; R627-E630 VanDerWaalsContact CD-OE1 3.28Å; R627-E630 WeakPolarHBondContact CD-OE1 3.09Å; R627-E630 VanDerWaalsContact CD-OE2 3.31Å; R627-E630 WeakPolarHBondContact CD-OE2 3.29Å; R627-E630 IonicContact CZ-OE1 3.62Å; R627-E630 IonicContact NE-OE1 3.61Å; R627-E630 IonicContact NH1-OE1 3.86Å; R627-E630 PolarHBondContact NH1-OE1 2.9Å; R627-E630 PolarHBondContact O-N 3.1Å
631G53.7Low75.6Confident73 Ų7367.5 Ų67.575%0.75336%0.36SS*.THydrogen-bonded Turntrans94.20.8179.600000115.7M629 R633M629-G631 PolarHBondContact O-N 2.65Å; G631-R633 PolarHBondContact O-N 3.38Å
632V59.6Low75Confident20 Ų2069.9 Ų69.912%0.12138%0.378CS..  trans-61111.4170.4177.20000108.9M629 M634 Q702 A706 V711M629-V632 PolarHBondContact O-N 3.36Å; V632-M634 PolarHBondContact O-N 3.32Å; V632-Q702 HydrophobicContact CB-CG 4.49Å; V632-A706 HydrophobicContact CG1-CB 4.03Å; V632-A706 HydrophobicContact CG2-CB 4.05Å; V632-V711 HydrophobicContact CG2-CB 4.24Å; V632-V711 HydrophobicContact CG2-CG1 3.71Å; V632-V711 HydrophobicContact CG2-CG2 4.3Å
633R61.2Low74.3Confident225 Ų22573.1 Ų73.185%0.84939%0.393SS*.  trans-62.2137.4171.6-70.1-173.9-179.4-177.81.9109.1G631 D635 S705G631-R633 PolarHBondContact O-N 3.38Å; R633-D635 PolarHBondContact O-N 2.53Å; R633-S705 PolarHBondContact O-OG 2.92Å
634M72.1Confident74Confident98 Ų9873.2 Ų73.248%0.48339%0.391SS..  trans-67.999.6170.8-77.4-62.7-66.900109.2V632 L636 L701 Q702V632-M634 PolarHBondContact O-N 3.32Å; M634-L636 HydrophobicContact CE-CD1 3.95Å; M634-L701 HydrophobicContact CE-CB 3.86Å; M634-Q702 HydrophobicContact SD-CB 4.29Å
635D74.8Confident73.9Confident102 Ų10273.7 Ų73.755%0.54539%0.393SS..  trans-115.657.6-179.3-173.427.3000110.4R633 S705 K708R633-D635 PolarHBondContact O-N 2.53Å; D635-S705 PolarHBondContact N-OG 3.3Å; D635-K708 WeakPolarHBondContact O-CD 3.15Å; D635-K708 WeakPolarHBondContact O-CE 3.5Å; D635-K708 PolarHBondContact O-NZ 3.02Å
636L80.3Confident73.8Confident26 Ų2676.9 Ų76.914%0.13640%0.396CS..  trans-118.6136.2177.7-65.6170.5000109.7M634 E640 I641 L644 L701 K708M634-L636 HydrophobicContact CE-CD1 3.95Å; L636-E640 WeakPolarHBondContact CA-OE2 3.4Å; L636-E640 HydrophobicContact CB-CB 4.42Å; L636-E640 HydrophobicContact CD2-CB 4.29Å; L636-I641 HydrophobicContact CB-CD1 4.25Å; L636-I641 HydrophobicContact CB-CG1 3.7Å; L636-I641 HydrophobicContact CD1-CG1 4.42Å; L636-L644 HydrophobicContact CD1-CD1 3.64Å; L636-L644 HydrophobicContact CD2-CD1 4.03Å; L636-L644 HydrophobicContact CG-CD1 4.46Å; L636-L701 HydrophobicContact CD1-CD2 4.34Å; L636-L701 WeakPolarHBondContact CD1-O 3.46Å; L636-K708 HydrophobicContact CD2-CD 3.84Å
637T84.1Confident73.9Confident70 Ų7076 Ų7643%0.42939%0.393SS..  trans-72.9162.417371.10000110.5D639 E640 I641T637-D639 PolarHBondContact O-N 2.68Å; T637-E640 PolarHBondContact N-OE2 3.28Å; T637-E640 PolarHBondContact O-N 3.01Å; T637-E640 VanDerWaalsContact OG1-CG 3.27Å; T637-E640 WeakPolarHBondContact OG1-CG 3.37Å; T637-E640 PolarHBondContact OG1-N 2.95Å; T637-E640 PolarHBondContact OG1-OE2 2.89Å; T637-I641 VanDerWaalsContact O-CG1 3.32Å; T637-I641 WeakPolarHBondContact O-CG1 3.28Å; T637-I641 PolarHBondContact O-N 3.4Å
638I82.3Confident74.9Confident139 Ų13970.5 Ų70.571%0.71337%0.372SS*.Hα-helixtrans-58.2-38.6178.1-62.7173.2000111.5S642I638-S642 WeakPolarHBondContact O-CB 3.46Å; I638-S642 PolarHBondContact O-N 2.96Å; I638-S642 PolarHBondContact O-OG 2.9Å
639D82.4Confident76Confident132 Ų13277.3 Ų77.371%0.70639%0.393SS*.Hα-helixtrans-68.5-41.6178.1-66.2-28.8000111.9T637 S642 H643T637-D639 PolarHBondContact O-N 2.68Å; D639-S642 PolarHBondContact O-N 3.48Å; D639-H643 PolarHBondContact O-N 3.25Å
640E82.6Confident77.4Confident67 Ų6782.2 Ų82.231%0.31341%0.414SS..Hα-helixtrans-63.1-46.6174.9-73.2170.8157.800110.9L636 T637 S642 H643 L644 K708L636-E640 WeakPolarHBondContact CA-OE2 3.4Å; L636-E640 HydrophobicContact CB-CB 4.42Å; L636-E640 HydrophobicContact CD2-CB 4.29Å; T637-E640 PolarHBondContact N-OE2 3.28Å; T637-E640 PolarHBondContact O-N 3.01Å; T637-E640 VanDerWaalsContact OG1-CG 3.27Å; T637-E640 WeakPolarHBondContact OG1-CG 3.37Å; T637-E640 PolarHBondContact OG1-N 2.95Å; T637-E640 PolarHBondContact OG1-OE2 2.89Å; E640-S642 VanDerWaalsContact C-N 3.29Å; E640-S642 PolarHBondContact O-N 3.47Å; E640-H643 PolarHBondContact O-N 2.85Å; E640-L644 WeakPolarHBondContact O-CB 3.41Å; E640-L644 WeakPolarHBondContact O-CG 3.21Å; E640-L644 PolarHBondContact O-N 3.36Å; E640-K708 VanDerWaalsContact CD-NZ 3.31Å; E640-K708 WeakPolarHBondContact OE1-CE 3.01Å; E640-K708 IonicContact OE1-NZ 2.87Å; E640-K708 PolarHBondContact OE1-NZ 3.47Å; E640-K708 VanDerWaalsContact OE1-NZ 3.09Å; E640-K708 IonicContact OE2-NZ 3.85Å; E640-K708 PolarHBondContact OE2-NZ 3.33Å
641I84Confident78.9Confident51 Ų5177.5 Ų77.526%0.26239%0.392SS..Hα-helixtrans-56.2-48.2175.4-67.6168.6000109.4L636 T637 H643 L644 L645 L701L636-I641 HydrophobicContact CB-CD1 4.25Å; L636-I641 HydrophobicContact CB-CG1 3.7Å; L636-I641 HydrophobicContact CD1-CG1 4.42Å; T637-I641 VanDerWaalsContact O-CG1 3.32Å; T637-I641 WeakPolarHBondContact O-CG1 3.28Å; T637-I641 PolarHBondContact O-N 3.4Å; I641-H643 VanDerWaalsContact C-N 3.35Å; I641-H643 PolarHBondContact O-N 3.36Å; I641-L644 PolarHBondContact O-N 3.28Å; I641-L644 VanDerWaalsContact O-N 3.16Å; I641-L645 HydrophobicContact CG2-CD1 4.01Å; I641-L645 HydrophobicContact CG2-CG 4.11Å; I641-L645 WeakPolarHBondContact O-CB 3.41Å; I641-L645 VanDerWaalsContact O-CG 3.23Å; I641-L645 WeakPolarHBondContact O-CG 3.4Å; I641-L645 PolarHBondContact O-N 2.82Å; I641-L701 HydrophobicContact CG2-CD1 4.38Å; I641-L701 HydrophobicContact CG2-CD2 4.46Å
642S84.2Confident80.5Confident65 Ų6574.5 Ų74.546%0.45536%0.359SS..Hα-helixtrans-59.6-42.8-179.7-60.70000112.7I638 D639 E640 Q646I638-S642 WeakPolarHBondContact O-CB 3.46Å; I638-S642 PolarHBondContact O-N 2.96Å; I638-S642 PolarHBondContact O-OG 2.9Å; D639-S642 PolarHBondContact O-N 3.48Å; E640-S642 VanDerWaalsContact C-N 3.29Å; E640-S642 PolarHBondContact O-N 3.47Å; S642-Q646 PolarHBondContact O-N 3.12Å
643H83.4Confident81.3Confident70 Ų7079.6 Ų79.632%0.32438%0.381SS..Hα-helixtrans-65.9-41.6175.4-176.4-88.8000112D639 E640 I641 Q646 S647D639-H643 PolarHBondContact O-N 3.25Å; E640-H643 PolarHBondContact O-N 2.85Å; I641-H643 VanDerWaalsContact C-N 3.35Å; I641-H643 PolarHBondContact O-N 3.36Å; H643-Q646 WeakPolarHBondContact O-CB 3.21Å; H643-Q646 PolarHBondContact O-N 3.14Å; H643-S647 PolarHBondContact O-N 3.46Å; H643-S647 PolarHBondContact O-OG 3.33Å
644L84.5Confident82.3Confident13 Ų1373.4 Ų73.47%0.06837%0.365CS..Hα-helixtrans-67.2-38.2178.1-69175.3000112.4L636 E640 I641 Q646 S647 F648 F700 L701 M704L636-L644 HydrophobicContact CD1-CD1 3.64Å; L636-L644 HydrophobicContact CD2-CD1 4.03Å; L636-L644 HydrophobicContact CG-CD1 4.46Å; E640-L644 WeakPolarHBondContact O-CB 3.41Å; E640-L644 WeakPolarHBondContact O-CG 3.21Å; E640-L644 PolarHBondContact O-N 3.36Å; I641-L644 PolarHBondContact O-N 3.28Å; I641-L644 VanDerWaalsContact O-N 3.16Å; L644-Q646 VanDerWaalsContact C-N 3.26Å; L644-Q646 PolarHBondContact O-N 2.75Å; L644-S647 PolarHBondContact O-N 3.44Å; L644-F648 WeakPolarHBondContact O-CB 3.24Å; L644-F648 PolarHBondContact O-N 3.09Å; L644-F700 HydrophobicContact CB-CE1 4.15Å; L644-F700 HydrophobicContact CD2-CE1 4.25Å; L644-F700 WeakPolarHBondContact O-CE1 3.28Å; L644-L701 HydrophobicContact CB-CD2 3.64Å; L644-L701 HydrophobicContact CD1-CD2 3.96Å; L644-L701 HydrophobicContact CG-CD2 4.48Å; L644-M704 HydrophobicContact CD1-CB 3.57Å; L644-M704 HydrophobicContact CD1-CG 4.18Å; L644-M704 HydrophobicContact CD2-CB 4.01Å; L644-M704 HydrophobicContact CD2-CE 3.46Å; L644-M704 VanDerWaalsContact CD2-CE 3.46Å; L644-M704 HydrophobicContact CD2-CG 3.77Å; L644-M704 HydrophobicContact CD2-SD 4.35Å; L644-M704 HydrophobicContact CG-CB 4.41Å
645L85.7Confident82.9Confident53 Ų5374.6 Ų74.628%0.27738%0.378SS..Hα-helixtrans-58.5-40.7171.3-70176.1000110.8I641 F648 R649 M697 L701I641-L645 HydrophobicContact CG2-CD1 4.01Å; I641-L645 HydrophobicContact CG2-CG 4.11Å; I641-L645 WeakPolarHBondContact O-CB 3.41Å; I641-L645 VanDerWaalsContact O-CG 3.23Å; I641-L645 WeakPolarHBondContact O-CG 3.4Å; I641-L645 PolarHBondContact O-N 2.82Å; L645-F648 PolarHBondContact O-N 2.81Å; L645-R649 WeakPolarHBondContact O-CG 3.21Å; L645-R649 PolarHBondContact O-N 3.35Å; L645-M697 HydrophobicContact CD2-CE 3.56Å; L645-M697 HydrophobicContact CD2-CG 3.76Å; L645-M697 HydrophobicContact CD2-SD 3.42Å; L645-M697 WeakPolarHBondContact CD2-SD 3.3Å; L645-L701 HydrophobicContact CD2-CD1 4.37Å
646Q83.7Confident83.5Confident111 Ų11173.1 Ų73.152%0.51937%0.367SS..Hα-helixtrans-67.7-40.6175.9-167.2-175.41900111.9S642 H643 L644 R649 K650S642-Q646 PolarHBondContact O-N 3.12Å; H643-Q646 WeakPolarHBondContact O-CB 3.21Å; H643-Q646 PolarHBondContact O-N 3.14Å; L644-Q646 VanDerWaalsContact C-N 3.26Å; L644-Q646 PolarHBondContact O-N 2.75Å; Q646-R649 PolarHBondContact O-N 2.93Å; Q646-K650 WeakPolarHBondContact O-CG 3.31Å; Q646-K650 PolarHBondContact O-N 3.07Å
647S81.9Confident83.7Confident10 Ų1074 Ų747%0.0738%0.382CS..Hα-helixtrans-64-41.7174.7-69.60000112H643 L644 R649 K650 L651H643-S647 PolarHBondContact O-N 3.46Å; H643-S647 PolarHBondContact O-OG 3.33Å; L644-S647 PolarHBondContact O-N 3.44Å; S647-R649 PolarHBondContact O-N 2.93Å; S647-K650 WeakPolarHBondContact O-CB 3.47Å; S647-K650 PolarHBondContact O-N 3.36Å; S647-K650 VanDerWaalsContact O-N 3.11Å; S647-L651 PolarHBondContact O-N 3.09Å
648F85.8Confident83.9Confident4 Ų474 Ų742%0.01837%0.374CS..Hα-helixtrans-62.7-43.2176.6-174-86.2000111.9L644 L645 K650 L651 D652 V659 M697 F700L644-F648 WeakPolarHBondContact O-CB 3.24Å; L644-F648 PolarHBondContact O-N 3.09Å; L645-F648 PolarHBondContact O-N 2.81Å; F648-K650 PolarHBondContact O-N 3.27Å; F648-L651 WeakPolarHBondContact O-CA 3.38Å; F648-L651 WeakPolarHBondContact O-CB 3.46Å; F648-L651 PolarHBondContact O-N 3.46Å; F648-D652 HydrophobicContact CD1-CB 4.3Å; F648-D652 HydrophobicContact CE1-CB 4.04Å; F648-D652 PolarHBondContact O-N 3.22Å; F648-V659 HydrophobicContact CD2-CG2 3.95Å; F648-V659 HydrophobicContact CE1-CG2 4.39Å; F648-V659 HydrophobicContact CE2-CB 4.45Å; F648-V659 HydrophobicContact CE2-CG2 3.56Å; F648-V659 HydrophobicContact CZ-CG2 3.83Å; F648-M697 HydrophobicContact CB-CE 3.65Å; F648-M697 HydrophobicContact CB-SD 3.53Å; F648-M697 VanDerWaalsContact CB-SD 3.53Å; F648-M697 HydrophobicContact CD1-CE 3.09Å; F648-M697 HydrophobicContact CD1-SD 3.66Å; F648-M697 HydrophobicContact CD2-CE 4.41Å; F648-M697 HydrophobicContact CD2-SD 3.86Å; F648-M697 HydrophobicContact CE1-CB 4.34Å; F648-M697 HydrophobicContact CE1-CE 3.76Å; F648-M697 HydrophobicContact CE1-SD 4.26Å; F648-M697 HydrophobicContact CE2-SD 4.43Å; F648-M697 HydrophobicContact CG-CE 3.46Å; F648-M697 VanDerWaalsContact CG-CE 3.46Å; F648-M697 HydrophobicContact CG-SD 3.39Å; F648-M697 WeakPolarHBondContact CG-SD 3.39Å; F648-M697 HydrophobicContact CZ-CB 4.27Å; F648-F700 HydrophobicContact CB-CD1 3.94Å; F648-F700 HydrophobicContact CB-CE1 4Å; F648-F700 HydrophobicContact CD2-CB 3.48Å; F648-F700 VanDerWaalsContact CD2-CB 3.48Å; F648-F700 AromaticContact CD2-CD1 3.72Å; F648-F700 HydrophobicContact CD2-CD1 3.72Å; F648-F700 AromaticContact CD2-CD2 3.97Å; F648-F700 HydrophobicContact CD2-CD2 3.97Å; F648-F700 HydrophobicContact CD2-CE1 4.42Å; F648-F700 AromaticContact CD2-CG 3.46Å; F648-F700 HydrophobicContact CD2-CG 3.46Å; F648-F700 VanDerWaalsContact CD2-CG 3.46Å; F648-F700 HydrophobicContact CE2-CB 3.68Å; F648-F700 HydrophobicContact CE2-CG 4.15Å; F648-F700 HydrophobicContact CG-CD1 4.3Å; F648-F700 HydrophobicContact CG-CG 4.44Å
649R85.1Confident84.2Confident185 Ų18567.5 Ų67.570%0.69834%0.341SS*.Hα-helixtrans-60.6-25.2174.5-73.1177.4-173.6178.23.1113.7L645 Q646 S647 D652L645-R649 WeakPolarHBondContact O-CG 3.21Å; L645-R649 PolarHBondContact O-N 3.35Å; Q646-R649 PolarHBondContact O-N 2.93Å; S647-R649 PolarHBondContact O-N 2.93Å; R649-D652 CarbonylContact O-C 3.55Å
650K82.6Confident84.4Confident109 Ų10962.2 Ų62.247%0.47432%0.315SS..Hα-helixtrans-76.8-32.3173.8-68.3171.5-176.1168.50112.1Q646 S647 F648 F667Q646-K650 WeakPolarHBondContact O-CG 3.31Å; Q646-K650 PolarHBondContact O-N 3.07Å; S647-K650 WeakPolarHBondContact O-CB 3.47Å; S647-K650 PolarHBondContact O-N 3.36Å; S647-K650 VanDerWaalsContact O-N 3.11Å; F648-K650 PolarHBondContact O-N 3.27Å; K650-F667 HydrophobicContact CB-CE2 4.46Å
651L83.6Confident84.5Confident5 Ų560.3 Ų60.33%0.02631%0.307CS..Hα-helixtrans-71.8-48.3173.9-65.1168.5000110.4S647 F648 H653 V659 L664 F667 F700 L721S647-L651 PolarHBondContact O-N 3.09Å; F648-L651 WeakPolarHBondContact O-CA 3.38Å; F648-L651 WeakPolarHBondContact O-CB 3.46Å; F648-L651 PolarHBondContact O-N 3.46Å; L651-H653 VanDerWaalsContact C-N 3.27Å; L651-H653 PolarHBondContact O-N 3.12Å; L651-H653 VanDerWaalsContact O-N 3.08Å; L651-V659 HydrophobicContact CB-CG1 4.14Å; L651-V659 HydrophobicContact CB-CG2 3.56Å; L651-V659 HydrophobicContact CD1-CG2 4.3Å; L651-L664 HydrophobicContact CD2-CD2 4.15Å; L651-F667 HydrophobicContact CD2-CB 3.57Å; L651-F667 HydrophobicContact CD2-CD1 3.43Å; L651-F667 VanDerWaalsContact CD2-CD1 3.43Å; L651-F667 HydrophobicContact CD2-CD2 3.67Å; L651-F667 HydrophobicContact CD2-CE1 3.92Å; L651-F667 HydrophobicContact CD2-CE2 4.17Å; L651-F667 HydrophobicContact CD2-CG 3.27Å; L651-F667 HydrophobicContact CD2-CZ 4.28Å; L651-F667 HydrophobicContact CG-CG 4.5Å; L651-F700 HydrophobicContact CD1-CD2 4.28Å; L651-F700 HydrophobicContact CD1-CE2 3.61Å; L651-F700 HydrophobicContact CD1-CZ 4.1Å; L651-L721 HydrophobicContact CD1-CD2 3.76Å; L651-L721 HydrophobicContact CD2-CD2 4.25Å; L651-L721 HydrophobicContact CG-CD2 4.35Å
652D86.6Confident84.6Confident10 Ų1062.5 Ų62.55%0.05332%0.319CS..  trans-8663.7176.5-177.725.5000111.3F648 R649 D654 T655 K656 G657 V659F648-D652 HydrophobicContact CD1-CB 4.3Å; F648-D652 HydrophobicContact CE1-CB 4.04Å; F648-D652 PolarHBondContact O-N 3.22Å; R649-D652 CarbonylContact O-C 3.55Å; D652-D654 PolarHBondContact O-N 3.42Å; D652-T655 PolarHBondContact O-N 2.84Å; D652-T655 VanDerWaalsContact O-N 3.07Å; D652-T655 PolarHBondContact OD1-N 3.03Å; D652-T655 WeakPolarHBondContact OD2-CA 3.41Å; D652-K656 VanDerWaalsContact CG-N 3.31Å; D652-K656 WeakPolarHBondContact OD1-CB 3.5Å; D652-K656 WeakPolarHBondContact OD1-CE 3.46Å; D652-K656 PolarHBondContact OD1-N 3.32Å; D652-K656 PolarHBondContact OD2-N 3.46Å; D652-G657 WeakPolarHBondContact OD2-CA 3.46Å; D652-G657 PolarHBondContact OD2-N 2.79Å; D652-V659 HydrophobicContact CB-CG2 4.28Å
653H77.6Confident84.7Confident127 Ų12760.1 Ų60.159%0.58830%0.301SS*.THydrogen-bonded Turntrans-55.6-34.4-178.7177-78.9000112.7L651 T655L651-H653 VanDerWaalsContact C-N 3.27Å; L651-H653 PolarHBondContact O-N 3.12Å; L651-H653 VanDerWaalsContact O-N 3.08Å; H653-T655 VanDerWaalsContact C-N 3.29Å; H653-T655 PolarHBondContact O-N 3.26Å
654D82Confident84.7Confident94 Ų9456.8 Ų56.850%0.50329%0.286SS..THydrogen-bonded Turntrans-88.95.2-176.4-59.6-20.5000112.8D652 K656D652-D654 PolarHBondContact O-N 3.42Å; D654-K656 VanDerWaalsContact C-N 3.25Å; D654-K656 HydrophobicContact CB-CD 4.19Å; D654-K656 HydrophobicContact CB-CG 3.96Å; D654-K656 PolarHBondContact O-N 3.11Å
655T84.1Confident84.7Confident124 Ų12460.1 Ų60.176%0.76130%0.297SS*.  trans55.537178.259.60000113.8D652 H653 G657D652-T655 PolarHBondContact O-N 2.84Å; D652-T655 VanDerWaalsContact O-N 3.07Å; D652-T655 PolarHBondContact OD1-N 3.03Å; D652-T655 WeakPolarHBondContact OD2-CA 3.41Å; H653-T655 VanDerWaalsContact C-N 3.29Å; H653-T655 PolarHBondContact O-N 3.26Å; T655-G657 PolarHBondContact O-N 2.91Å
656K86.5Confident84.6Confident70 Ų7062.1 Ų62.130%0.30430%0.304SS..  trans-70.5-20.6-179.7-61.3171.7-61.7-163.90112.3D652 D654 Y658 D663D652-K656 VanDerWaalsContact CG-N 3.31Å; D652-K656 WeakPolarHBondContact OD1-CB 3.5Å; D652-K656 WeakPolarHBondContact OD1-CE 3.46Å; D652-K656 PolarHBondContact OD1-N 3.32Å; D652-K656 PolarHBondContact OD2-N 3.46Å; D654-K656 VanDerWaalsContact C-N 3.25Å; D654-K656 HydrophobicContact CB-CD 4.19Å; D654-K656 HydrophobicContact CB-CG 3.96Å; D654-K656 PolarHBondContact O-N 3.11Å; K656-Y658 HydrophobicContact CB-CD1 3.89Å; K656-Y658 HydrophobicContact CB-CE1 3.62Å; K656-Y658 HydrophobicContact CB-CE2 4.28Å; K656-Y658 HydrophobicContact CB-CG 4.35Å; K656-Y658 HydrophobicContact CD-CE2 4.09Å; K656-Y658 WeakPolarHBondContact O-CD1 3.41Å; K656-D663 WeakPolarHBondContact CE-OD2 3.36Å; K656-D663 IonicContact NZ-OD1 3.6Å; K656-D663 PolarHBondContact NZ-OD1 2.95Å; K656-D663 IonicContact NZ-OD2 3.87Å; K656-D663 PolarHBondContact NZ-OD2 2.93Å
657G85.2Confident84.6Confident44 Ų4458.3 Ų58.345%0.45429%0.286SS..SBendtrans89.80.3-172.400000113.8D652 T655D652-G657 WeakPolarHBondContact OD2-CA 3.46Å; D652-G657 PolarHBondContact OD2-N 2.79Å; T655-G657 PolarHBondContact O-N 2.91Å
658Y88.7Confident84.5Confident71 Ų7158 Ų5828%0.27828%0.283SS..EExtended strand (participates in β ladder)trans-148.4157.2-178.362.4-96.6000111.5K656 Q694 V695K656-Y658 HydrophobicContact CB-CD1 3.89Å; K656-Y658 HydrophobicContact CB-CE1 3.62Å; K656-Y658 HydrophobicContact CB-CE2 4.28Å; K656-Y658 HydrophobicContact CB-CG 4.35Å; K656-Y658 HydrophobicContact CD-CE2 4.09Å; K656-Y658 WeakPolarHBondContact O-CD1 3.41Å; Y658-Q694 HydrophobicContact CD2-CB 3.73Å; Y658-Q694 HydrophobicContact CD2-CG 3.74Å; Y658-Q694 HydrophobicContact CE2-CB 4.46Å; Y658-Q694 VanDerWaalsContact CE2-CD 3.44Å; Y658-Q694 HydrophobicContact CE2-CG 3.97Å; Y658-Q694 HydrophobicContact CG-CB 3.98Å; Y658-Q694 HydrophobicContact CG-CG 4.3Å; Y658-V695 CarbonylContact C-O 3.57Å; Y658-V695 VanDerWaalsContact CA-O 3.3Å; Y658-V695 WeakPolarHBondContact CA-O 3.2Å
659V87.1Confident84.2Confident2 Ų262.7 Ų62.71%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-108.4123.2176.5176.50000109.1F648 L651 D652 D663 L664 V695F648-V659 HydrophobicContact CD2-CG2 3.95Å; F648-V659 HydrophobicContact CE1-CG2 4.39Å; F648-V659 HydrophobicContact CE2-CB 4.45Å; F648-V659 HydrophobicContact CE2-CG2 3.56Å; F648-V659 HydrophobicContact CZ-CG2 3.83Å; L651-V659 HydrophobicContact CB-CG1 4.14Å; L651-V659 HydrophobicContact CB-CG2 3.56Å; L651-V659 HydrophobicContact CD1-CG2 4.3Å; D652-V659 HydrophobicContact CB-CG2 4.28Å; V659-D663 HydrophobicContact CG1-CB 3.9Å; V659-L664 HydrophobicContact CG1-CD2 3.84Å; V659-L664 HydrophobicContact CG1-CG 3.79Å; V659-V695 HydrophobicContact CB-CB 4.41Å; V659-V695 PolarHBondContact N-O 3.38Å; V659-V695 PolarHBondContact O-N 3.26Å
660S87.1Confident83.8Confident22 Ų2260.1 Ų60.115%0.15431%0.308CS..  trans-95.4173.3174.276.70000112.2D662 D663 L664S660-D662 PolarHBondContact O-N 2.76Å; S660-D662 PolarHBondContact OG-N 3.5Å; S660-D663 PolarHBondContact N-OD2 3.25Å; S660-D663 WeakPolarHBondContact O-CB 3.31Å; S660-D663 PolarHBondContact O-N 2.56Å; S660-D663 PolarHBondContact OG-N 2.85Å; S660-D663 PolarHBondContact OG-OD2 3.39Å; S660-L664 PolarHBondContact O-N 3.27Å; S660-L664 VanDerWaalsContact O-N 3.12Å
661L85.7Confident83.4Confident27 Ų2757.2 Ų57.214%0.14130%0.301CS..Hα-helixtrans-54.6-41.1171.1-170.867.1000112.3D663 L664 R665 E677 L680 Q681 L684L661-D663 VanDerWaalsContact C-N 3.33Å; L661-D663 PolarHBondContact O-N 3.05Å; L661-L664 PolarHBondContact O-N 3.3Å; L661-R665 WeakPolarHBondContact O-CB 3.35Å; L661-R665 PolarHBondContact O-N 3.42Å; L661-E677 VanDerWaalsContact CD2-OE1 3.31Å; L661-E677 WeakPolarHBondContact CD2-OE1 3.43Å; L661-L680 HydrophobicContact CD1-CB 3.85Å; L661-Q681 HydrophobicContact CD1-CB 4.31Å; L661-L684 HydrophobicContact CB-CD2 3.93Å; L661-L684 HydrophobicContact CD1-CB 4.41Å; L661-L684 HydrophobicContact CD1-CD2 4.3Å
662D86.2Confident83Confident96 Ų9660.2 Ų60.251%0.51333%0.333SS..Hα-helixtrans-66.6-37.2-178.7-66.9-25.1000111.6S660 R665 K666S660-D662 PolarHBondContact O-N 2.76Å; S660-D662 PolarHBondContact OG-N 3.5Å; D662-R665 PolarHBondContact O-N 2.9Å; D662-R665 IonicContact OD1-CZ 3.52Å; D662-R665 IonicContact OD1-NH1 3.41Å; D662-R665 PolarHBondContact OD1-NH1 3.18Å; D662-R665 IonicContact OD1-NH2 3.47Å; D662-R665 PolarHBondContact OD1-NH2 2.99Å; D662-K666 WeakPolarHBondContact O-CB 3.42Å; D662-K666 PolarHBondContact O-N 3.38Å
663D86Confident82.3Confident16 Ų1662.3 Ų62.39%0.08634%0.343CS..Hα-helixtrans-64.6-45.1175.3-61.1-35.4000111K656 V659 S660 L661 R665 K666 F667K656-D663 WeakPolarHBondContact CE-OD2 3.36Å; K656-D663 IonicContact NZ-OD1 3.6Å; K656-D663 PolarHBondContact NZ-OD1 2.95Å; K656-D663 IonicContact NZ-OD2 3.87Å; K656-D663 PolarHBondContact NZ-OD2 2.93Å; V659-D663 HydrophobicContact CG1-CB 3.9Å; S660-D663 PolarHBondContact N-OD2 3.25Å; S660-D663 WeakPolarHBondContact O-CB 3.31Å; S660-D663 PolarHBondContact O-N 2.56Å; S660-D663 PolarHBondContact OG-N 2.85Å; S660-D663 PolarHBondContact OG-OD2 3.39Å; L661-D663 VanDerWaalsContact C-N 3.33Å; L661-D663 PolarHBondContact O-N 3.05Å; D663-R665 VanDerWaalsContact C-N 3.34Å; D663-R665 PolarHBondContact O-N 3.36Å; D663-K666 PolarHBondContact O-N 2.96Å; D663-F667 WeakPolarHBondContact O-CB 3.03Å; D663-F667 PolarHBondContact O-N 3.45Å
664L83.8Confident82.1Confident0 Ų067 Ų670%036%0.357CS..Hα-helixtrans-61.1-43175.2-71.8179.1000111.7L651 V659 S660 L661 F667 C668 L680 L684 L717L651-L664 HydrophobicContact CD2-CD2 4.15Å; V659-L664 HydrophobicContact CG1-CD2 3.84Å; V659-L664 HydrophobicContact CG1-CG 3.79Å; S660-L664 PolarHBondContact O-N 3.27Å; S660-L664 VanDerWaalsContact O-N 3.12Å; L661-L664 PolarHBondContact O-N 3.3Å; L664-F667 PolarHBondContact O-N 3.46Å; L664-C668 PolarHBondContact O-N 3.03Å; L664-C668 PolarHBondContact O-SG 2.85Å; L664-L680 HydrophobicContact CB-CD2 4.33Å; L664-L684 HydrophobicContact CD1-CB 4.1Å; L664-L684 HydrophobicContact CD1-CD1 3.64Å; L664-L717 HydrophobicContact CD1-CD1 4.26Å; L664-L717 HydrophobicContact CD2-CD1 3.81Å
665R84.4Confident81.8Confident82 Ų8263.7 Ų63.731%0.30934%0.34SS..Hα-helixtrans-62-47.4178-165.9-172.3-55111.85.9110.9L661 D662 D663 C668 T669 E677 L680L661-R665 WeakPolarHBondContact O-CB 3.35Å; L661-R665 PolarHBondContact O-N 3.42Å; D662-R665 PolarHBondContact O-N 2.9Å; D662-R665 IonicContact OD1-CZ 3.52Å; D662-R665 IonicContact OD1-NH1 3.41Å; D662-R665 PolarHBondContact OD1-NH1 3.18Å; D662-R665 IonicContact OD1-NH2 3.47Å; D662-R665 PolarHBondContact OD1-NH2 2.99Å; D663-R665 VanDerWaalsContact C-N 3.34Å; D663-R665 PolarHBondContact O-N 3.36Å; R665-C668 PolarHBondContact O-N 2.87Å; R665-T669 WeakPolarHBondContact O-CB 3.33Å; R665-T669 PolarHBondContact O-N 3.01Å; R665-T669 PolarHBondContact O-OG1 2.89Å; R665-E677 IonicContact CZ-OE1 3Å; R665-E677 IonicContact CZ-OE2 3.45Å; R665-E677 IonicContact NE-OE1 2.71Å; R665-E677 PolarHBondContact NE-OE1 3.3Å; R665-E677 IonicContact NE-OE2 3.96Å; R665-E677 PolarHBondContact NE-OE2 3.1Å; R665-E677 IonicContact NH2-OE1 3.64Å; R665-E677 PolarHBondContact NH2-OE1 3.07Å; R665-E677 IonicContact NH2-OE2 3.77Å; R665-L680 HydrophobicContact CB-CD1 3.92Å; R665-L680 HydrophobicContact CG-CD1 3.91Å
666K83.3Confident81.5Confident96 Ų9660.1 Ų60.142%0.41732%0.321SS..Hα-helixtrans-60.1-47.6177.2-174.4179175-172.90110.8D662 D663 C668 T669 E670D662-K666 WeakPolarHBondContact O-CB 3.42Å; D662-K666 PolarHBondContact O-N 3.38Å; D663-K666 PolarHBondContact O-N 2.96Å; K666-C668 PolarHBondContact O-N 2.56Å; K666-T669 PolarHBondContact O-N 3.31Å; K666-E670 WeakPolarHBondContact CE-OE1 3.31Å; K666-E670 HydrophobicContact CG-CG 4.49Å; K666-E670 WeakPolarHBondContact O-CB 3.38Å; K666-E670 WeakPolarHBondContact O-CG 3.31Å; K666-E670 PolarHBondContact O-N 3.48Å
667F82.5Confident81Confident31 Ų3160.8 Ų60.814%0.13633%0.325CS..Hα-helixtrans-61.9-42.2179.2-179.6-102.9000113.6K650 L651 D663 L664 S671 V720 L721K650-F667 HydrophobicContact CB-CE2 4.46Å; L651-F667 HydrophobicContact CD2-CB 3.57Å; L651-F667 HydrophobicContact CD2-CD1 3.43Å; L651-F667 VanDerWaalsContact CD2-CD1 3.43Å; L651-F667 HydrophobicContact CD2-CD2 3.67Å; L651-F667 HydrophobicContact CD2-CE1 3.92Å; L651-F667 HydrophobicContact CD2-CE2 4.17Å; L651-F667 HydrophobicContact CD2-CG 3.27Å; L651-F667 HydrophobicContact CD2-CZ 4.28Å; L651-F667 HydrophobicContact CG-CG 4.5Å; D663-F667 WeakPolarHBondContact O-CB 3.03Å; D663-F667 PolarHBondContact O-N 3.45Å; L664-F667 PolarHBondContact O-N 3.46Å; F667-S671 VanDerWaalsContact O-CB 3.28Å; F667-S671 WeakPolarHBondContact O-CB 3.2Å; F667-S671 PolarHBondContact O-N 2.98Å; F667-S671 PolarHBondContact O-OG 3.13Å; F667-V720 HydrophobicContact CD1-CG1 3.89Å; F667-V720 HydrophobicContact CE1-CB 4.32Å; F667-V720 HydrophobicContact CE1-CG1 3.41Å; F667-V720 VanDerWaalsContact CE1-CG1 3.41Å; F667-V720 HydrophobicContact CZ-CG1 4.31Å; F667-L721 HydrophobicContact CE1-CD2 3.87Å; F667-L721 HydrophobicContact CZ-CD2 4.32Å
668C80Confident80.4Confident3 Ų366.4 Ų66.42%0.0234%0.339CS..Hα-helixtrans-65.6-42.4176.5-66.40000111.4L664 R665 K666 S671 G672 E673 V675 L717L664-C668 PolarHBondContact O-N 3.03Å; L664-C668 PolarHBondContact O-SG 2.85Å; R665-C668 PolarHBondContact O-N 2.87Å; K666-C668 PolarHBondContact O-N 2.56Å; C668-S671 CarbonylContact O-C 3.49Å; C668-S671 PolarHBondContact O-N 3.49Å; C668-G672 PolarHBondContact O-N 2.88Å; C668-E673 CarbonylContact C-O 3.58Å; C668-E673 PolarHBondContact O-N 2.91Å; C668-E673 VanDerWaalsContact O-N 3.1Å; C668-V675 HydrophobicContact CB-CG2 4.24Å; C668-L717 VanDerWaalsContact SG-CD2 3.56Å
669T79.4Confident79.7Confident102 Ų10265.2 Ų65.263%0.62634%0.339SS*.Hα-helixtrans-61.1-46.9176.5-53.80000111.4R665 K666 S671 G672R665-T669 WeakPolarHBondContact O-CB 3.33Å; R665-T669 PolarHBondContact O-N 3.01Å; R665-T669 PolarHBondContact O-OG1 2.89Å; K666-T669 PolarHBondContact O-N 3.31Å; T669-S671 VanDerWaalsContact C-N 3.26Å; T669-S671 PolarHBondContact O-N 3.32Å; T669-G672 PolarHBondContact O-N 3.37Å; T669-G672 VanDerWaalsContact O-N 3.1Å
670E77.8Confident79.4Confident132 Ų13265.2 Ų65.262%0.61734%0.339SS*.Hα-helixtrans-65.8-28.7176.5-73.2178.4-175.900112.9K666 G672K666-E670 WeakPolarHBondContact CE-OE1 3.31Å; K666-E670 HydrophobicContact CG-CG 4.49Å; K666-E670 WeakPolarHBondContact O-CB 3.38Å; K666-E670 WeakPolarHBondContact O-CG 3.31Å; K666-E670 PolarHBondContact O-N 3.48Å; E670-G672 PolarHBondContact O-N 3.46Å
671S74.8Confident78.9Confident47 Ų4767.6 Ų67.633%0.32935%0.348SS..THydrogen-bonded Turntrans-78.7-6.9175.2-61.20000113.4F667 C668 T669 E673F667-S671 VanDerWaalsContact O-CB 3.28Å; F667-S671 WeakPolarHBondContact O-CB 3.2Å; F667-S671 PolarHBondContact O-N 2.98Å; F667-S671 PolarHBondContact O-OG 3.13Å; C668-S671 CarbonylContact O-C 3.49Å; C668-S671 PolarHBondContact O-N 3.49Å; T669-S671 VanDerWaalsContact C-N 3.26Å; T669-S671 PolarHBondContact O-N 3.32Å; S671-E673 VanDerWaalsContact C-N 3.3Å; S671-E673 PolarHBondContact O-N 3.4Å
672G74.1Confident78.2Confident68 Ų6869.1 Ų69.170%0.70136%0.361SS*.THydrogen-bonded Turntrans73.616.1-178.100000114.5C668 T669 E670C668-G672 PolarHBondContact O-N 2.88Å; T669-G672 PolarHBondContact O-N 3.37Å; T669-G672 VanDerWaalsContact O-N 3.1Å; E670-G672 PolarHBondContact O-N 3.46Å
673E72.2Confident77.7Confident55 Ų5565 Ų6526%0.25734%0.339SS..  trans-104.7119.2178.9-66.6-79.8172.200109.1C668 S671 V675 V720 R723C668-E673 CarbonylContact C-O 3.58Å; C668-E673 PolarHBondContact O-N 2.91Å; C668-E673 VanDerWaalsContact O-N 3.1Å; S671-E673 VanDerWaalsContact C-N 3.3Å; S671-E673 PolarHBondContact O-N 3.4Å; E673-V675 PolarHBondContact O-N 2.74Å; E673-V720 HydrophobicContact CB-CG2 4.38Å; E673-V720 HydrophobicContact CG-CG2 4.31Å; E673-R723 IonicContact OE1-CZ 3.71Å; E673-R723 IonicContact OE1-NH1 2.72Å; E673-R723 PolarHBondContact OE1-NH1 2.95Å; E673-R723 IonicContact OE1-NH2 3.48Å; E673-R723 PolarHBondContact OE1-NH2 3.1Å
674Y73Confident77.3Confident224 Ų22464.4 Ų64.488%0.87834%0.336SS*.  trans-82107.4175.3-170.8-95.9000109.4
675V75.6Confident76.9Confident25 Ų2568.9 Ų68.915%0.15236%0.36CS..  trans-109.3129.7173.1-173.60000107.5C668 E673 V679 L680C668-V675 HydrophobicContact CB-CG2 4.24Å; E673-V675 PolarHBondContact O-N 2.74Å; V675-V679 HydrophobicContact CG1-CB 3.85Å; V675-V679 HydrophobicContact CG1-CG1 3.67Å; V675-L680 HydrophobicContact CB-CD2 4Å; V675-L680 HydrophobicContact CB-CG 4.13Å; V675-L680 HydrophobicContact CG1-CD2 3.84Å; V675-L680 HydrophobicContact CG1-CG 3.88Å
676S77.6Confident76.3Confident50 Ų5067.5 Ų67.535%0.3536%0.361SS..  trans-63.7149.4177.852.80000111.5E678 V679 L680S676-E678 VanDerWaalsContact C-N 3.28Å; S676-E678 PolarHBondContact O-N 2.93Å; S676-V679 PolarHBondContact O-N 2.87Å; S676-V679 WeakPolarHBondContact OG-CB 3.26Å; S676-V679 WeakPolarHBondContact OG-CG2 3.42Å; S676-L680 PolarHBondContact O-N 2.77Å
677E77.8Confident76Confident83 Ų8363 Ų6339%0.38834%0.341SS..Hα-helixtrans-57.6-40.8-178-164.663.2-151.700112.5L661 R665 V679 L680 Q681L661-E677 VanDerWaalsContact CD2-OE1 3.31Å; L661-E677 WeakPolarHBondContact CD2-OE1 3.43Å; R665-E677 IonicContact CZ-OE1 3Å; R665-E677 IonicContact CZ-OE2 3.45Å; R665-E677 IonicContact NE-OE1 2.71Å; R665-E677 PolarHBondContact NE-OE1 3.3Å; R665-E677 IonicContact NE-OE2 3.96Å; R665-E677 PolarHBondContact NE-OE2 3.1Å; R665-E677 IonicContact NH2-OE1 3.64Å; R665-E677 PolarHBondContact NH2-OE1 3.07Å; R665-E677 IonicContact NH2-OE2 3.77Å; E677-V679 PolarHBondContact O-N 2.96Å; E677-L680 PolarHBondContact O-N 3.49Å; E677-Q681 WeakPolarHBondContact O-CB 3.4Å; E677-Q681 PolarHBondContact O-N 2.86Å
678E70.7Confident75.8Confident163 Ų16361.9 Ų61.976%0.76234%0.337SS*.Hα-helixtrans-58.4-35176-64.9173.1-178.200112.5S676 S682S676-E678 VanDerWaalsContact C-N 3.28Å; S676-E678 PolarHBondContact O-N 2.93Å; E678-S682 WeakPolarHBondContact O-CB 3.43Å; E678-S682 PolarHBondContact O-N 3.47Å; E678-S682 PolarHBondContact O-OG 3.44Å
679V74.1Confident75.3Confident45 Ų4563.6 Ų63.627%0.27335%0.345SS..Hα-helixtrans-81.3-35.4-178.4175.60000111.1V675 S676 E677 S682 T683 P716V675-V679 HydrophobicContact CG1-CB 3.85Å; V675-V679 HydrophobicContact CG1-CG1 3.67Å; S676-V679 PolarHBondContact O-N 2.87Å; S676-V679 WeakPolarHBondContact OG-CB 3.26Å; S676-V679 WeakPolarHBondContact OG-CG2 3.42Å; E677-V679 PolarHBondContact O-N 2.96Å; V679-S682 WeakPolarHBondContact CA-OG 3.32Å; V679-S682 PolarHBondContact O-OG 3.49Å; V679-S682 VanDerWaalsContact O-OG 3.1Å; V679-T683 VanDerWaalsContact O-CB 3.29Å; V679-T683 WeakPolarHBondContact O-CB 3.09Å; V679-T683 PolarHBondContact O-N 3.39Å; V679-T683 PolarHBondContact O-OG1 2.92Å; V679-P716 HydrophobicContact CG1-CG 3.54Å
680L81.1Confident75Confident3 Ų362.6 Ų62.62%0.01634%0.336CS..Hα-helixtrans-62.5-45.9170.3-68.6175000110.7L661 L664 R665 V675 S676 E677 T683 L684L661-L680 HydrophobicContact CD1-CB 3.85Å; L664-L680 HydrophobicContact CB-CD2 4.33Å; R665-L680 HydrophobicContact CB-CD1 3.92Å; R665-L680 HydrophobicContact CG-CD1 3.91Å; V675-L680 HydrophobicContact CB-CD2 4Å; V675-L680 HydrophobicContact CB-CG 4.13Å; V675-L680 HydrophobicContact CG1-CD2 3.84Å; V675-L680 HydrophobicContact CG1-CG 3.88Å; S676-L680 PolarHBondContact O-N 2.77Å; E677-L680 PolarHBondContact O-N 3.49Å; L680-T683 PolarHBondContact O-N 3.03Å; L680-L684 WeakPolarHBondContact O-CB 3.23Å; L680-L684 PolarHBondContact O-N 2.86Å
681Q77.4Confident74.7Confident72 Ų7263.9 Ų63.934%0.33634%0.339SS..Hα-helixtrans-65-45.9179-171.766.660.400112.1L661 E677 T683 L684 N685L661-Q681 HydrophobicContact CD1-CB 4.31Å; E677-Q681 WeakPolarHBondContact O-CB 3.4Å; E677-Q681 PolarHBondContact O-N 2.86Å; Q681-T683 VanDerWaalsContact C-N 3.27Å; Q681-T683 PolarHBondContact O-N 3.37Å; Q681-L684 PolarHBondContact O-N 3.09Å; Q681-N685 PolarHBondContact NE2-OD1 3.21Å; Q681-N685 WeakPolarHBondContact O-CB 3.11Å; Q681-N685 PolarHBondContact O-N 3.48Å; Q681-N685 PolarHBondContact O-ND2 3.13Å; Q681-N685 PolarHBondContact O-OD1 2.97Å
682S71Confident74.9Confident58 Ų5865.8 Ų65.841%0.40635%0.346SS..Hα-helixtrans-64-35177.567.60000111.9E678 V679 T686E678-S682 WeakPolarHBondContact O-CB 3.43Å; E678-S682 PolarHBondContact O-N 3.47Å; E678-S682 PolarHBondContact O-OG 3.44Å; V679-S682 WeakPolarHBondContact CA-OG 3.32Å; V679-S682 PolarHBondContact O-OG 3.49Å; V679-S682 VanDerWaalsContact O-OG 3.1Å; S682-T686 PolarHBondContact O-N 2.96Å; S682-T686 PolarHBondContact O-OG1 3.14Å
683T75Confident75.1Confident10 Ų1064.5 Ų64.56%0.06133%0.332CS..Hα-helixtrans-70.3-45.1176.3-55.40000111.7V679 L680 Q681 N685 T686 M687 F703 S715 L717V679-T683 VanDerWaalsContact O-CB 3.29Å; V679-T683 WeakPolarHBondContact O-CB 3.09Å; V679-T683 PolarHBondContact O-N 3.39Å; V679-T683 PolarHBondContact O-OG1 2.92Å; L680-T683 PolarHBondContact O-N 3.03Å; Q681-T683 VanDerWaalsContact C-N 3.27Å; Q681-T683 PolarHBondContact O-N 3.37Å; T683-N685 VanDerWaalsContact C-N 3.32Å; T683-N685 PolarHBondContact O-N 3.46Å; T683-T686 WeakPolarHBondContact O-CB 3.24Å; T683-T686 PolarHBondContact O-N 3.42Å; T683-T686 VanDerWaalsContact O-N 3.08Å; T683-M687 HydrophobicContact CG2-CE 3.94Å; T683-M687 HydrophobicContact CG2-SD 4.37Å; T683-M687 WeakPolarHBondContact O-CG 3.37Å; T683-M687 PolarHBondContact O-N 2.99Å; T683-F703 HydrophobicContact CG2-CZ 4.01Å; T683-S715 WeakPolarHBondContact CG2-OG 3.36Å; T683-L717 HydrophobicContact CG2-CD1 3.42Å; T683-L717 VanDerWaalsContact CG2-CD1 3.42Å; T683-L717 HydrophobicContact CG2-CG 4.02Å
684L79.1Confident75.7Confident4 Ų465 Ų652%0.02133%0.334CS..Hα-helixtrans-57.5-47.7174-171.482.1000110.4L661 L664 L680 Q681 T686 M687 D688 V695L661-L684 HydrophobicContact CB-CD2 3.93Å; L661-L684 HydrophobicContact CD1-CB 4.41Å; L661-L684 HydrophobicContact CD1-CD2 4.3Å; L664-L684 HydrophobicContact CD1-CB 4.1Å; L664-L684 HydrophobicContact CD1-CD1 3.64Å; L680-L684 WeakPolarHBondContact O-CB 3.23Å; L680-L684 PolarHBondContact O-N 2.86Å; Q681-L684 PolarHBondContact O-N 3.09Å; L684-T686 PolarHBondContact O-N 3.05Å; L684-M687 PolarHBondContact O-N 3.16Å; L684-D688 VanDerWaalsContact O-CB 3.29Å; L684-D688 WeakPolarHBondContact O-CB 3.32Å; L684-D688 PolarHBondContact O-N 3.2Å; L684-V695 HydrophobicContact CD1-CG2 3.62Å; L684-V695 HydrophobicContact CG-CG2 4.31Å
685N74.1Confident76.3Confident94 Ų9454.3 Ų54.350%0.50329%0.293SS..Hα-helixtrans-62.4-26.2177.4-68.1-8.3000113.1Q681 T683Q681-N685 PolarHBondContact NE2-OD1 3.21Å; Q681-N685 WeakPolarHBondContact O-CB 3.11Å; Q681-N685 PolarHBondContact O-N 3.48Å; Q681-N685 PolarHBondContact O-ND2 3.13Å; Q681-N685 PolarHBondContact O-OD1 2.97Å; T683-N685 VanDerWaalsContact C-N 3.32Å; T683-N685 PolarHBondContact O-N 3.46Å
686T72.2Confident76.8Confident53 Ų5355.7 Ų55.733%0.32530%0.299SS..Hα-helixtrans-76.2-40.6174.4-55.90000110.6S682 T683 L684 F703 V712S682-T686 PolarHBondContact O-N 2.96Å; S682-T686 PolarHBondContact O-OG1 3.14Å; T683-T686 WeakPolarHBondContact O-CB 3.24Å; T683-T686 PolarHBondContact O-N 3.42Å; T683-T686 VanDerWaalsContact O-N 3.08Å; L684-T686 PolarHBondContact O-N 3.05Å; T686-F703 HydrophobicContact CG2-CD2 4.34Å; T686-F703 HydrophobicContact CG2-CE2 3.9Å; T686-V712 HydrophobicContact CG2-CG2 4.24Å
687M77.8Confident77.2Confident1 Ų155.7 Ų55.71%0.00529%0.294CS..Hα-helixtrans-71.8-40.6178.7-70.9172.6170.900113.2T683 L684 I689 V695 F703 L717 L721T683-M687 HydrophobicContact CG2-CE 3.94Å; T683-M687 HydrophobicContact CG2-SD 4.37Å; T683-M687 WeakPolarHBondContact O-CG 3.37Å; T683-M687 PolarHBondContact O-N 2.99Å; L684-M687 PolarHBondContact O-N 3.16Å; M687-I689 WeakPolarHBondContact O-CG1 3.45Å; M687-I689 PolarHBondContact O-N 2.73Å; M687-I689 VanDerWaalsContact O-N 3.08Å; M687-V695 HydrophobicContact CB-CB 4.35Å; M687-V695 HydrophobicContact CB-CG1 3.91Å; M687-V695 HydrophobicContact CB-CG2 3.43Å; M687-V695 VanDerWaalsContact CB-CG2 3.43Å; M687-V695 HydrophobicContact CG-CG2 4.45Å; M687-V695 HydrophobicContact SD-CG1 4.47Å; M687-V695 HydrophobicContact SD-CG2 4.26Å; M687-F703 HydrophobicContact CB-CD2 4.19Å; M687-F703 HydrophobicContact CB-CG 4.33Å; M687-F703 HydrophobicContact CE-CD1 3.41Å; M687-F703 VanDerWaalsContact CE-CD1 3.41Å; M687-F703 HydrophobicContact CE-CE1 3.05Å; M687-F703 HydrophobicContact CE-CE2 4.39Å; M687-F703 HydrophobicContact CE-CG 4.2Å; M687-F703 HydrophobicContact CE-CZ 3.62Å; M687-F703 HydrophobicContact CG-CB 4.03Å; M687-F703 HydrophobicContact CG-CD1 3.68Å; M687-F703 HydrophobicContact CG-CD2 3.39Å; M687-F703 HydrophobicContact CG-CE1 3.86Å; M687-F703 HydrophobicContact CG-CE2 3.6Å; M687-F703 HydrophobicContact CG-CG 3.42Å; M687-F703 VanDerWaalsContact CG-CG 3.42Å; M687-F703 HydrophobicContact CG-CZ 3.82Å; M687-F703 HydrophobicContact SD-CD1 4.3Å; M687-F703 HydrophobicContact SD-CE1 4.28Å; M687-L717 HydrophobicContact CE-CD1 3.49Å; M687-L717 VanDerWaalsContact CE-CD1 3.49Å; M687-L717 HydrophobicContact SD-CD1 4.47Å; M687-L721 HydrophobicContact CE-CD1 4.23Å
688D76.2Confident77.5Confident8 Ų855.1 Ų55.14%0.04330%0.299CS..  trans-77.387.5-176.5175.811.8000110.3L684 N690 K691 N692 G693 V695L684-D688 VanDerWaalsContact O-CB 3.29Å; L684-D688 WeakPolarHBondContact O-CB 3.32Å; L684-D688 PolarHBondContact O-N 3.2Å; D688-N690 PolarHBondContact OD1-OD1 2.95Å; D688-K691 VanDerWaalsContact OD1-CA 3.24Å; D688-K691 WeakPolarHBondContact OD1-CA 3.22Å; D688-K691 PolarHBondContact OD1-N 2.91Å; D688-K691 VanDerWaalsContact OD2-CA 3.29Å; D688-K691 WeakPolarHBondContact OD2-CA 3.08Å; D688-N692 PolarHBondContact OD1-N 2.87Å; D688-N692 PolarHBondContact OD2-N 3.42Å; D688-G693 VanDerWaalsContact OD2-CA 3.23Å; D688-G693 WeakPolarHBondContact OD2-CA 3.39Å; D688-G693 PolarHBondContact OD2-N 3.45Å; D688-V695 HydrophobicContact CB-CG2 4.1Å
689I70.8Confident78.1Confident38 Ų3847.7 Ų47.720%0.19527%0.265CS..SBendtrans-70.1-38.3-175.6-51.1175.8000110M629 M687 E699 Q702M629-I689 HydrophobicContact CB-CD1 4.22Å; M629-I689 HydrophobicContact CB-CG1 4.31Å; M629-I689 HydrophobicContact CE-CD1 3.59Å; M629-I689 HydrophobicContact CE-CG1 3.89Å; M629-I689 HydrophobicContact SD-CG1 4.25Å; M687-I689 WeakPolarHBondContact O-CG1 3.45Å; M687-I689 PolarHBondContact O-N 2.73Å; M687-I689 VanDerWaalsContact O-N 3.08Å; I689-E699 HydrophobicContact CB-CG 4.41Å; I689-E699 HydrophobicContact CD1-CG 4.21Å; I689-E699 HydrophobicContact CG1-CG 4.18Å; I689-E699 PolarHBondContact N-OE1 3.3Å; I689-E699 VanDerWaalsContact N-OE1 3.08Å; I689-Q702 HydrophobicContact CD1-CB 4.36Å; I689-Q702 HydrophobicContact CD1-CG 4.1Å
690N72.9Confident78.7Confident81 Ų8145.6 Ų45.643%0.43325%0.252SS..SBendtrans-82.7-12.2-176.276.555.4000113.7D688 N692 E699D688-N690 PolarHBondContact OD1-OD1 2.95Å; N690-N692 PolarHBondContact ND2-ND2 2.83Å; N690-N692 WeakPolarHBondContact OD1-CB 3.39Å; N690-N692 PolarHBondContact OD1-N 3.19Å; N690-N692 PolarHBondContact OD1-ND2 3.02Å; N690-N692 VanDerWaalsContact OD1-ND2 3.11Å; N690-N692 PolarHBondContact OD1-OD1 3.47Å; N690-E699 VanDerWaalsContact CG-OE1 3.27Å; N690-E699 PolarHBondContact N-OE1 3.09Å; N690-E699 VanDerWaalsContact ND2-CD 3.33Å; N690-E699 PolarHBondContact ND2-OE1 3.39Å; N690-E699 PolarHBondContact ND2-OE2 3.42Å
691K71.8Confident79Confident159 Ų15946.4 Ų46.469%0.69126%0.256SS*.  trans64.433.5178.2-58-170.1174.2-171.30115D688 G693D688-K691 VanDerWaalsContact OD1-CA 3.24Å; D688-K691 WeakPolarHBondContact OD1-CA 3.22Å; D688-K691 PolarHBondContact OD1-N 2.91Å; D688-K691 VanDerWaalsContact OD2-CA 3.29Å; D688-K691 WeakPolarHBondContact OD2-CA 3.08Å; K691-G693 VanDerWaalsContact C-N 3.3Å
692N77.9Confident79.2Confident88 Ų8845.2 Ų45.247%0.47125%0.251SS..SBendtrans-86.80.2174.870.310.6000113.1D688 N690 Q694D688-N692 PolarHBondContact OD1-N 2.87Å; D688-N692 PolarHBondContact OD2-N 3.42Å; N690-N692 PolarHBondContact ND2-ND2 2.83Å; N690-N692 WeakPolarHBondContact OD1-CB 3.39Å; N690-N692 PolarHBondContact OD1-N 3.19Å; N690-N692 PolarHBondContact OD1-ND2 3.02Å; N690-N692 VanDerWaalsContact OD1-ND2 3.11Å; N690-N692 PolarHBondContact OD1-OD1 3.47Å; N692-Q694 WeakPolarHBondContact OD1-CA 3.5Å; N692-Q694 VanDerWaalsContact OD1-CB 3.31Å; N692-Q694 WeakPolarHBondContact OD1-CB 3.44Å; N692-Q694 PolarHBondContact OD1-N 3.44Å; N692-Q694 PolarHBondContact OD1-O 3Å
693G78.9Confident79.7Confident40 Ų4042.5 Ų42.541%0.41223%0.232SC..SBendtrans83.89.5-177.300000114.1D688 K691D688-G693 VanDerWaalsContact OD2-CA 3.23Å; D688-G693 WeakPolarHBondContact OD2-CA 3.39Å; D688-G693 PolarHBondContact OD2-N 3.45Å; K691-G693 VanDerWaalsContact C-N 3.3Å
694Q84.8Confident80.1Confident65 Ų6543 Ų4330%0.30423%0.233SC..  trans-139.9140.8-173.2-54.2178.8-10.500109.5Y658 N692Y658-Q694 HydrophobicContact CD2-CB 3.73Å; Y658-Q694 HydrophobicContact CD2-CG 3.74Å; Y658-Q694 HydrophobicContact CE2-CB 4.46Å; Y658-Q694 VanDerWaalsContact CE2-CD 3.44Å; Y658-Q694 HydrophobicContact CE2-CG 3.97Å; Y658-Q694 HydrophobicContact CG-CB 3.98Å; Y658-Q694 HydrophobicContact CG-CG 4.3Å; N692-Q694 WeakPolarHBondContact OD1-CA 3.5Å; N692-Q694 VanDerWaalsContact OD1-CB 3.31Å; N692-Q694 WeakPolarHBondContact OD1-CB 3.44Å; N692-Q694 PolarHBondContact OD1-N 3.44Å; N692-Q694 PolarHBondContact OD1-O 3Å
695V85.4Confident80.2Confident1 Ų142.8 Ų42.81%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-103.6112.7178.6178.70000109.1Y658 V659 L684 M687 D688 E699 F700Y658-V695 CarbonylContact C-O 3.57Å; Y658-V695 VanDerWaalsContact CA-O 3.3Å; Y658-V695 WeakPolarHBondContact CA-O 3.2Å; V659-V695 HydrophobicContact CB-CB 4.41Å; V659-V695 PolarHBondContact N-O 3.38Å; V659-V695 PolarHBondContact O-N 3.26Å; L684-V695 HydrophobicContact CD1-CG2 3.62Å; L684-V695 HydrophobicContact CG-CG2 4.31Å; M687-V695 HydrophobicContact CB-CB 4.35Å; M687-V695 HydrophobicContact CB-CG1 3.91Å; M687-V695 HydrophobicContact CB-CG2 3.43Å; M687-V695 VanDerWaalsContact CB-CG2 3.43Å; M687-V695 HydrophobicContact CG-CG2 4.45Å; M687-V695 HydrophobicContact SD-CG1 4.47Å; M687-V695 HydrophobicContact SD-CG2 4.26Å; D688-V695 HydrophobicContact CB-CG2 4.1Å; V695-E699 WeakPolarHBondContact CA-OE2 3.2Å; V695-E699 HydrophobicContact CG1-CB 3.91Å; V695-F700 HydrophobicContact CG1-CB 4.08Å
696D87.1Confident80.3Confident54 Ų5438.3 Ų38.329%0.28921%0.208SC..EExtended strand (participates in β ladder)trans-78.8174.8174.177.932.6000112.4S698 E699 F700D696-S698 VanDerWaalsContact C-N 3.3Å; D696-S698 PolarHBondContact O-N 3.39Å; D696-S698 VanDerWaalsContact OD1-CA 3.31Å; D696-S698 WeakPolarHBondContact OD1-CA 3.46Å; D696-S698 WeakPolarHBondContact OD1-CB 3.27Å; D696-S698 PolarHBondContact OD1-N 3.24Å; D696-S698 PolarHBondContact OD1-OG 3.48Å; D696-S698 PolarHBondContact OD2-OG 2.88Å; D696-E699 PolarHBondContact N-OE2 3.24Å; D696-E699 PolarHBondContact O-N 3.48Å; D696-E699 PolarHBondContact OD1-N 2.92Å; D696-F700 WeakPolarHBondContact O-CB 3.37Å; D696-F700 PolarHBondContact O-N 3.23Å
697M85.3Confident80.5Confident49 Ų4936.1 Ų36.124%0.24120%0.195CC..Hα-helixtrans-61.6-38-179.9-174.866.180.700112.9L645 F648 F700 L701L645-M697 HydrophobicContact CD2-CE 3.56Å; L645-M697 HydrophobicContact CD2-CG 3.76Å; L645-M697 HydrophobicContact CD2-SD 3.42Å; L645-M697 WeakPolarHBondContact CD2-SD 3.3Å; F648-M697 HydrophobicContact CB-CE 3.65Å; F648-M697 HydrophobicContact CB-SD 3.53Å; F648-M697 VanDerWaalsContact CB-SD 3.53Å; F648-M697 HydrophobicContact CD1-CE 3.09Å; F648-M697 HydrophobicContact CD1-SD 3.66Å; F648-M697 HydrophobicContact CD2-CE 4.41Å; F648-M697 HydrophobicContact CD2-SD 3.86Å; F648-M697 HydrophobicContact CE1-CB 4.34Å; F648-M697 HydrophobicContact CE1-CE 3.76Å; F648-M697 HydrophobicContact CE1-SD 4.26Å; F648-M697 HydrophobicContact CE2-SD 4.43Å; F648-M697 HydrophobicContact CG-CE 3.46Å; F648-M697 VanDerWaalsContact CG-CE 3.46Å; F648-M697 HydrophobicContact CG-SD 3.39Å; F648-M697 WeakPolarHBondContact CG-SD 3.39Å; F648-M697 HydrophobicContact CZ-CB 4.27Å; M697-F700 PolarHBondContact O-N 3.41Å; M697-L701 HydrophobicContact CG-CD1 4.21Å; M697-L701 HydrophobicContact CG-CG 4.44Å; M697-L701 WeakPolarHBondContact O-CB 3.44Å; M697-L701 VanDerWaalsContact O-CG 3.27Å; M697-L701 WeakPolarHBondContact O-CG 3.4Å; M697-L701 PolarHBondContact O-N 2.85Å; M697-L701 HydrophobicContact SD-CG 4.48Å
698S83.8Confident80.4Confident71 Ų7140.2 Ų40.250%0.49721%0.212SC..Hα-helixtrans-67.9-42.2-178.774.10000110.9D696 L701 Q702D696-S698 VanDerWaalsContact C-N 3.3Å; D696-S698 PolarHBondContact O-N 3.39Å; D696-S698 VanDerWaalsContact OD1-CA 3.31Å; D696-S698 WeakPolarHBondContact OD1-CA 3.46Å; D696-S698 WeakPolarHBondContact OD1-CB 3.27Å; D696-S698 PolarHBondContact OD1-N 3.24Å; D696-S698 PolarHBondContact OD1-OG 3.48Å; D696-S698 PolarHBondContact OD2-OG 2.88Å; S698-L701 PolarHBondContact O-N 2.95Å; S698-Q702 VanDerWaalsContact O-CB 3.3Å; S698-Q702 WeakPolarHBondContact O-CB 3.24Å; S698-Q702 PolarHBondContact O-N 3.46Å
699E84.1Confident80.1Confident7 Ų742.1 Ų42.13%0.03323%0.227CC..Hα-helixtrans-64.9-42.7174.7-70.4178.3141.900111.5I689 N690 V695 D696 Q702 F703I689-E699 HydrophobicContact CB-CG 4.41Å; I689-E699 HydrophobicContact CD1-CG 4.21Å; I689-E699 HydrophobicContact CG1-CG 4.18Å; I689-E699 PolarHBondContact N-OE1 3.3Å; I689-E699 VanDerWaalsContact N-OE1 3.08Å; N690-E699 VanDerWaalsContact CG-OE1 3.27Å; N690-E699 PolarHBondContact N-OE1 3.09Å; N690-E699 VanDerWaalsContact ND2-CD 3.33Å; N690-E699 PolarHBondContact ND2-OE1 3.39Å; N690-E699 PolarHBondContact ND2-OE2 3.42Å; V695-E699 WeakPolarHBondContact CA-OE2 3.2Å; V695-E699 HydrophobicContact CG1-CB 3.91Å; D696-E699 PolarHBondContact N-OE2 3.24Å; D696-E699 PolarHBondContact O-N 3.48Å; D696-E699 PolarHBondContact OD1-N 2.92Å; E699-Q702 PolarHBondContact O-N 3.34Å; E699-F703 VanDerWaalsContact O-CB 3.24Å; E699-F703 WeakPolarHBondContact O-CB 3.15Å; E699-F703 PolarHBondContact O-N 2.83Å
700F86.5Confident79.9Confident1 Ų140.7 Ų40.70%0.00422%0.221CC..Hα-helixtrans-61.7-46.3174.9-179.5-100.6000112.1L644 F648 L651 V695 D696 M697 F703 M704 L721L644-F700 HydrophobicContact CB-CE1 4.15Å; L644-F700 HydrophobicContact CD2-CE1 4.25Å; L644-F700 WeakPolarHBondContact O-CE1 3.28Å; F648-F700 HydrophobicContact CB-CD1 3.94Å; F648-F700 HydrophobicContact CB-CE1 4Å; F648-F700 HydrophobicContact CD2-CB 3.48Å; F648-F700 VanDerWaalsContact CD2-CB 3.48Å; F648-F700 AromaticContact CD2-CD1 3.72Å; F648-F700 HydrophobicContact CD2-CD1 3.72Å; F648-F700 AromaticContact CD2-CD2 3.97Å; F648-F700 HydrophobicContact CD2-CD2 3.97Å; F648-F700 HydrophobicContact CD2-CE1 4.42Å; F648-F700 AromaticContact CD2-CG 3.46Å; F648-F700 HydrophobicContact CD2-CG 3.46Å; F648-F700 VanDerWaalsContact CD2-CG 3.46Å; F648-F700 HydrophobicContact CE2-CB 3.68Å; F648-F700 HydrophobicContact CE2-CG 4.15Å; F648-F700 HydrophobicContact CG-CD1 4.3Å; F648-F700 HydrophobicContact CG-CG 4.44Å; L651-F700 HydrophobicContact CD1-CD2 4.28Å; L651-F700 HydrophobicContact CD1-CE2 3.61Å; L651-F700 HydrophobicContact CD1-CZ 4.1Å; V695-F700 HydrophobicContact CG1-CB 4.08Å; D696-F700 WeakPolarHBondContact O-CB 3.37Å; D696-F700 PolarHBondContact O-N 3.23Å; M697-F700 PolarHBondContact O-N 3.41Å; F700-F703 PolarHBondContact O-N 3.02Å; F700-M704 HydrophobicContact CD1-CG 4.22Å; F700-M704 HydrophobicContact CE1-CG 3.9Å; F700-M704 HydrophobicContact CE2-CG 4.26Å; F700-M704 HydrophobicContact CE2-SD 4.5Å; F700-M704 HydrophobicContact CZ-CG 3.92Å; F700-M704 HydrophobicContact CZ-SD 4.32Å; F700-M704 WeakPolarHBondContact O-CB 3.45Å; F700-M704 VanDerWaalsContact O-CG 3.23Å; F700-M704 WeakPolarHBondContact O-CG 3.32Å; F700-M704 PolarHBondContact O-N 3.42Å; F700-L721 HydrophobicContact CE2-CD1 3.82Å; F700-L721 HydrophobicContact CE2-CD2 4.23Å; F700-L721 HydrophobicContact CZ-CD1 4.19Å; F700-L721 HydrophobicContact CZ-CD2 4.3Å
701L86Confident79.4Confident21 Ų2138 Ų3811%0.1121%0.208CC..Hα-helixtrans-64.6-40.9177.3-73.2177.6000111.6M634 L636 I641 L644 L645 M697 S698 F703 M704 S705M634-L701 HydrophobicContact CE-CB 3.86Å; L636-L701 HydrophobicContact CD1-CD2 4.34Å; L636-L701 WeakPolarHBondContact CD1-O 3.46Å; I641-L701 HydrophobicContact CG2-CD1 4.38Å; I641-L701 HydrophobicContact CG2-CD2 4.46Å; L644-L701 HydrophobicContact CB-CD2 3.64Å; L644-L701 HydrophobicContact CD1-CD2 3.96Å; L644-L701 HydrophobicContact CG-CD2 4.48Å; L645-L701 HydrophobicContact CD2-CD1 4.37Å; M697-L701 HydrophobicContact CG-CD1 4.21Å; M697-L701 HydrophobicContact CG-CG 4.44Å; M697-L701 WeakPolarHBondContact O-CB 3.44Å; M697-L701 VanDerWaalsContact O-CG 3.27Å; M697-L701 WeakPolarHBondContact O-CG 3.4Å; M697-L701 PolarHBondContact O-N 2.85Å; M697-L701 HydrophobicContact SD-CG 4.48Å; S698-L701 PolarHBondContact O-N 2.95Å; L701-F703 VanDerWaalsContact C-N 3.33Å; L701-F703 PolarHBondContact O-N 3.23Å; L701-M704 PolarHBondContact O-N 3.42Å; L701-S705 WeakPolarHBondContact O-CB 3.25Å; L701-S705 PolarHBondContact O-N 2.92Å
702Q81.7Confident79Confident46 Ų4631.1 Ų31.122%0.21518%0.179CC..Hα-helixtrans-64.3-38.9175.2-170.2171.6-10.600111.4M629 V632 M634 I689 S698 E699 S705 A706M629-Q702 HydrophobicContact CE-CB 3.9Å; M629-Q702 HydrophobicContact CE-CG 3.76Å; M629-Q702 PolarHBondContact O-NE2 3.22Å; V632-Q702 HydrophobicContact CB-CG 4.49Å; M634-Q702 HydrophobicContact SD-CB 4.29Å; I689-Q702 HydrophobicContact CD1-CB 4.36Å; I689-Q702 HydrophobicContact CD1-CG 4.1Å; S698-Q702 VanDerWaalsContact O-CB 3.3Å; S698-Q702 WeakPolarHBondContact O-CB 3.24Å; S698-Q702 PolarHBondContact O-N 3.46Å; E699-Q702 PolarHBondContact O-N 3.34Å; Q702-S705 WeakPolarHBondContact O-CB 3.38Å; Q702-S705 PolarHBondContact O-N 2.86Å; Q702-A706 WeakPolarHBondContact O-CB 3.3Å; Q702-A706 PolarHBondContact O-N 2.72Å
703F82.4Confident78.1Confident1 Ų128.5 Ų28.50%0.00417%0.166CC..Hα-helixtrans-65.3-43.1175.2177.2-99.3000111.6M629 T683 T686 M687 E699 F700 L701 A706 I707 V712M629-F703 HydrophobicContact CE-CB 3.71Å; M629-F703 HydrophobicContact CE-CD2 4.47Å; M629-F703 HydrophobicContact SD-CB 4.22Å; M629-F703 HydrophobicContact SD-CD2 3.88Å; T683-F703 HydrophobicContact CG2-CZ 4.01Å; T686-F703 HydrophobicContact CG2-CD2 4.34Å; T686-F703 HydrophobicContact CG2-CE2 3.9Å; M687-F703 HydrophobicContact CB-CD2 4.19Å; M687-F703 HydrophobicContact CB-CG 4.33Å; M687-F703 HydrophobicContact CE-CD1 3.41Å; M687-F703 VanDerWaalsContact CE-CD1 3.41Å; M687-F703 HydrophobicContact CE-CE1 3.05Å; M687-F703 HydrophobicContact CE-CE2 4.39Å; M687-F703 HydrophobicContact CE-CG 4.2Å; M687-F703 HydrophobicContact CE-CZ 3.62Å; M687-F703 HydrophobicContact CG-CB 4.03Å; M687-F703 HydrophobicContact CG-CD1 3.68Å; M687-F703 HydrophobicContact CG-CD2 3.39Å; M687-F703 HydrophobicContact CG-CE1 3.86Å; M687-F703 HydrophobicContact CG-CE2 3.6Å; M687-F703 HydrophobicContact CG-CG 3.42Å; M687-F703 VanDerWaalsContact CG-CG 3.42Å; M687-F703 HydrophobicContact CG-CZ 3.82Å; M687-F703 HydrophobicContact SD-CD1 4.3Å; M687-F703 HydrophobicContact SD-CE1 4.28Å; E699-F703 VanDerWaalsContact O-CB 3.24Å; E699-F703 WeakPolarHBondContact O-CB 3.15Å; E699-F703 PolarHBondContact O-N 2.83Å; F700-F703 PolarHBondContact O-N 3.02Å; L701-F703 VanDerWaalsContact C-N 3.33Å; L701-F703 PolarHBondContact O-N 3.23Å; F703-A706 CarbonylContact O-C 3.52Å; F703-A706 WeakPolarHBondContact O-CB 3.31Å; F703-A706 PolarHBondContact O-N 3.49Å; F703-I707 HydrophobicContact CD1-CD1 3.75Å; F703-I707 HydrophobicContact CD1-CG1 4.37Å; F703-I707 HydrophobicContact CE1-CD1 3.13Å; F703-I707 HydrophobicContact CE1-CG1 4.02Å; F703-I707 HydrophobicContact CE2-CD1 4.49Å; F703-I707 HydrophobicContact CZ-CD1 3.59Å; F703-I707 HydrophobicContact CZ-CG1 4.19Å; F703-I707 WeakPolarHBondContact O-CG1 3.18Å; F703-I707 PolarHBondContact O-N 3.5Å; F703-V712 HydrophobicContact CD2-CG2 4.39Å; F703-V712 HydrophobicContact CE2-CG1 3.94Å; F703-V712 HydrophobicContact CE2-CG2 4.29Å; F703-V712 HydrophobicContact CZ-CG1 4.27Å
704M83.6Confident77Confident20 Ų2033.1 Ų33.110%0.09918%0.181CC..Hα-helixtrans-68.5-36.3176.7-67.6-59.2-6600111.8L644 F700 L701 A706 I707 K708 L721L644-M704 HydrophobicContact CD1-CB 3.57Å; L644-M704 HydrophobicContact CD1-CG 4.18Å; L644-M704 HydrophobicContact CD2-CB 4.01Å; L644-M704 HydrophobicContact CD2-CE 3.46Å; L644-M704 VanDerWaalsContact CD2-CE 3.46Å; L644-M704 HydrophobicContact CD2-CG 3.77Å; L644-M704 HydrophobicContact CD2-SD 4.35Å; L644-M704 HydrophobicContact CG-CB 4.41Å; F700-M704 HydrophobicContact CD1-CG 4.22Å; F700-M704 HydrophobicContact CE1-CG 3.9Å; F700-M704 HydrophobicContact CE2-CG 4.26Å; F700-M704 HydrophobicContact CE2-SD 4.5Å; F700-M704 HydrophobicContact CZ-CG 3.92Å; F700-M704 HydrophobicContact CZ-SD 4.32Å; F700-M704 WeakPolarHBondContact O-CB 3.45Å; F700-M704 VanDerWaalsContact O-CG 3.23Å; F700-M704 WeakPolarHBondContact O-CG 3.32Å; F700-M704 PolarHBondContact O-N 3.42Å; L701-M704 PolarHBondContact O-N 3.42Å; M704-A706 VanDerWaalsContact C-N 3.34Å; M704-I707 PolarHBondContact O-N 2.83Å; M704-I707 HydrophobicContact SD-CD1 4.06Å; M704-K708 WeakPolarHBondContact O-CB 3.48Å; M704-K708 PolarHBondContact O-N 3.45Å; M704-L721 HydrophobicContact CE-CB 4.31Å; M704-L721 HydrophobicContact SD-CD1 3.78Å
705S81.2Confident75.9Confident0 Ų030.7 Ų30.70%017%0.171CC..Hα-helixtrans-60.7-43.5168.4-168.50000110.9R633 D635 L701 Q702 I707 K708 S709R633-S705 PolarHBondContact O-OG 2.92Å; D635-S705 PolarHBondContact N-OG 3.3Å; L701-S705 WeakPolarHBondContact O-CB 3.25Å; L701-S705 PolarHBondContact O-N 2.92Å; Q702-S705 WeakPolarHBondContact O-CB 3.38Å; Q702-S705 PolarHBondContact O-N 2.86Å; S705-I707 PolarHBondContact O-N 2.82Å; S705-K708 WeakPolarHBondContact O-CB 3.46Å; S705-K708 PolarHBondContact O-N 2.85Å; S705-K708 VanDerWaalsContact O-N 3.16Å; S705-S709 PolarHBondContact O-N 2.78Å; S705-S709 PolarHBondContact O-OG 3.24Å; S705-S709 VanDerWaalsContact O-OG 3.12Å
706A75.4Confident74.7Confident0 Ų033.3 Ų33.30%019%0.188CC..Hα-helixtrans-65.7-35.8177.300000112.9M629 V632 Q702 F703 M704 K708 S709 G710 V711 V712M629-A706 HydrophobicContact CG-CB 4.41Å; V632-A706 HydrophobicContact CG1-CB 4.03Å; V632-A706 HydrophobicContact CG2-CB 4.05Å; Q702-A706 WeakPolarHBondContact O-CB 3.3Å; Q702-A706 PolarHBondContact O-N 2.72Å; F703-A706 CarbonylContact O-C 3.52Å; F703-A706 WeakPolarHBondContact O-CB 3.31Å; F703-A706 PolarHBondContact O-N 3.49Å; M704-A706 VanDerWaalsContact C-N 3.34Å; A706-K708 VanDerWaalsContact C-N 3.34Å; A706-S709 WeakPolarHBondContact CA-OG 3.38Å; A706-S709 PolarHBondContact O-OG 3.47Å; A706-G710 PolarHBondContact O-N 2.82Å; A706-G710 VanDerWaalsContact O-N 3.11Å; A706-V711 HydrophobicContact CB-CB 4.22Å; A706-V711 HydrophobicContact CB-CG1 4.35Å; A706-V711 PolarHBondContact O-N 3.36Å; A706-V712 HydrophobicContact CB-CB 4.42Å; A706-V712 HydrophobicContact CB-CG2 3.78Å; A706-V712 PolarHBondContact O-N 3.11Å
707I76.5Confident73.6Confident7 Ų730.8 Ų30.84%0.03618%0.175CC..Hα-helixtrans-65.6-38171.9-78.6179.7000111.5F703 M704 S705 G710 V712 K718F703-I707 HydrophobicContact CD1-CD1 3.75Å; F703-I707 HydrophobicContact CD1-CG1 4.37Å; F703-I707 HydrophobicContact CE1-CD1 3.13Å; F703-I707 HydrophobicContact CE1-CG1 4.02Å; F703-I707 HydrophobicContact CE2-CD1 4.49Å; F703-I707 HydrophobicContact CZ-CD1 3.59Å; F703-I707 HydrophobicContact CZ-CG1 4.19Å; F703-I707 WeakPolarHBondContact O-CG1 3.18Å; F703-I707 PolarHBondContact O-N 3.5Å; M704-I707 PolarHBondContact O-N 2.83Å; M704-I707 HydrophobicContact SD-CD1 4.06Å; S705-I707 PolarHBondContact O-N 2.82Å; I707-G710 PolarHBondContact O-N 2.8Å; I707-V712 HydrophobicContact CG1-CB 3.99Å; I707-V712 HydrophobicContact CG1-CG1 4Å; I707-K718 HydrophobicContact CD1-CB 4.28Å; I707-K718 HydrophobicContact CG2-CB 4.25Å; I707-K718 HydrophobicContact CG2-CD 3.5Å; I707-K718 VanDerWaalsContact CG2-CE 3.48Å; I707-K718 HydrophobicContact CG2-CG 3.68Å; I707-K718 PolarHBondContact O-NZ 3.21Å
708K75.8Confident72.6Confident87 Ų8733.2 Ų33.238%0.37818%0.184SC..Hα-helixtrans-72-46.8-179.8-178.1-177.1171.5-169.60111.3D635 L636 E640 M704 S705 A706 G710D635-K708 WeakPolarHBondContact O-CD 3.15Å; D635-K708 WeakPolarHBondContact O-CE 3.5Å; D635-K708 PolarHBondContact O-NZ 3.02Å; L636-K708 HydrophobicContact CD2-CD 3.84Å; E640-K708 VanDerWaalsContact CD-NZ 3.31Å; E640-K708 WeakPolarHBondContact OE1-CE 3.01Å; E640-K708 IonicContact OE1-NZ 2.87Å; E640-K708 PolarHBondContact OE1-NZ 3.47Å; E640-K708 VanDerWaalsContact OE1-NZ 3.09Å; E640-K708 IonicContact OE2-NZ 3.85Å; E640-K708 PolarHBondContact OE2-NZ 3.33Å; M704-K708 WeakPolarHBondContact O-CB 3.48Å; M704-K708 PolarHBondContact O-N 3.45Å; S705-K708 WeakPolarHBondContact O-CB 3.46Å; S705-K708 PolarHBondContact O-N 2.85Å; S705-K708 VanDerWaalsContact O-N 3.16Å; A706-K708 VanDerWaalsContact C-N 3.34Å; K708-G710 PolarHBondContact O-N 3.46Å
709S71.3Confident71.7Confident49 Ų4935.7 Ų35.734%0.34319%0.186SC..Hα-helixtrans-68.6-11.317564.30000113S705 A706 V711S705-S709 PolarHBondContact O-N 2.78Å; S705-S709 PolarHBondContact O-OG 3.24Å; S705-S709 VanDerWaalsContact O-OG 3.12Å; A706-S709 WeakPolarHBondContact CA-OG 3.38Å; A706-S709 PolarHBondContact O-OG 3.47Å; S709-V711 PolarHBondContact O-N 2.78Å; S709-V711 VanDerWaalsContact OG-CG2 3.29Å; S709-V711 WeakPolarHBondContact OG-CG2 3.5Å
710G65Low70.8Confident7 Ų735.8 Ų35.87%0.07219%0.187CC..THydrogen-bonded Turntrans75.314.2-179.500000113.6R408 A706 I707 K708 V712 V713R408-G710 WeakPolarHBondContact CB-O 3.18Å; A706-G710 PolarHBondContact O-N 2.82Å; A706-G710 VanDerWaalsContact O-N 3.11Å; I707-G710 PolarHBondContact O-N 2.8Å; K708-G710 PolarHBondContact O-N 3.46Å; G710-V712 VanDerWaalsContact C-N 3.32Å; G710-V713 VanDerWaalsContact O-CG2 3.24Å; G710-V713 WeakPolarHBondContact O-CG2 3.31Å
711V63.9Low69.7Low26 Ų2636 Ų3616%0.15819%0.188CC..SBendtrans-65.3-38.2169.6169.80000110.2R409 G410 V628 V632 A706 S709R409-V711 HydrophobicContact CB-CG1 4.39Å; R409-V711 HydrophobicContact CB-CG2 4.37Å; G410-V711 PolarHBondContact N-O 2.88Å; V628-V711 HydrophobicContact CG1-CG1 3.35Å; V628-V711 WeakPolarHBondContact CG1-O 3.29Å; V628-V711 WeakPolarHBondContact O-CG1 3.2Å; V632-V711 HydrophobicContact CG2-CB 4.24Å; V632-V711 HydrophobicContact CG2-CG1 3.71Å; V632-V711 HydrophobicContact CG2-CG2 4.3Å; A706-V711 HydrophobicContact CB-CB 4.22Å; A706-V711 HydrophobicContact CB-CG1 4.35Å; A706-V711 PolarHBondContact O-N 3.36Å; S709-V711 PolarHBondContact O-N 2.78Å; S709-V711 VanDerWaalsContact OG-CG2 3.29Å; S709-V711 WeakPolarHBondContact OG-CG2 3.5Å
712V63.5Low68.5Low14 Ų1438.4 Ų38.49%0.08521%0.206CC..SBendtrans-102114.8167.9176.70000109.8V628 T686 F703 A706 I707 G710V628-V712 HydrophobicContact CG1-CG2 4.34Å; T686-V712 HydrophobicContact CG2-CG2 4.24Å; F703-V712 HydrophobicContact CD2-CG2 4.39Å; F703-V712 HydrophobicContact CE2-CG1 3.94Å; F703-V712 HydrophobicContact CE2-CG2 4.29Å; F703-V712 HydrophobicContact CZ-CG1 4.27Å; A706-V712 HydrophobicContact CB-CB 4.42Å; A706-V712 HydrophobicContact CB-CG2 3.78Å; A706-V712 PolarHBondContact O-N 3.11Å; I707-V712 HydrophobicContact CG1-CB 3.99Å; I707-V712 HydrophobicContact CG1-CG1 4Å; G710-V712 VanDerWaalsContact C-N 3.32Å
713V58Low67.2Low32 Ų3242.7 Ų42.719%0.19422%0.221CC..  trans-108.6134.1178.2-169.90000108.8G710G710-V713 VanDerWaalsContact O-CG2 3.24Å; G710-V713 WeakPolarHBondContact O-CG2 3.31Å
714N55.6Low65.6Low138 Ų13847.3 Ų47.374%0.73825%0.249SC*.  trans67.743.8174.7-56.8-24.2000117.3P716N714-P716 WeakPolarHBondContact O-CD 3.2Å
715S62.3Low63.7Low13 Ų1357.2 Ų57.29%0.09129%0.285CS..  trans-75.1124.4158.3-178.90000109.1T683 L717 K718T683-S715 WeakPolarHBondContact CG2-OG 3.36Å; S715-L717 PolarHBondContact O-N 2.92Å; S715-L717 VanDerWaalsContact O-N 3.16Å; S715-L717 WeakPolarHBondContact OG-CB 3.08Å; S715-L717 PolarHBondContact OG-N 3.4Å; S715-K718 VanDerWaalsContact O-CB 3.26Å; S715-K718 WeakPolarHBondContact O-CB 3.24Å; S715-K718 PolarHBondContact O-N 3.44Å
716P60.2Low62.1Low56 Ų5664.1 Ų64.136%0.36432%0.321SS..Hα-helixtrans-54.6-31.8169.8-22.332.3000111.4V679 N714 K718 K719 V720V679-P716 HydrophobicContact CG1-CG 3.54Å; N714-P716 WeakPolarHBondContact O-CD 3.2Å; P716-K718 PolarHBondContact O-N 2.76Å; P716-K719 WeakPolarHBondContact O-CB 3.49Å; P716-K719 PolarHBondContact O-N 3.04Å; P716-V720 PolarHBondContact O-N 3.27Å
717L62.9Low60.6Low1 Ų166.5 Ų66.51%0.00534%0.337CS..Hα-helixtrans-63.5-22.5175-62.6-177000113L664 C668 T683 M687 S715 K719 V720 L721L664-L717 HydrophobicContact CD1-CD1 4.26Å; L664-L717 HydrophobicContact CD2-CD1 3.81Å; C668-L717 VanDerWaalsContact SG-CD2 3.56Å; T683-L717 HydrophobicContact CG2-CD1 3.42Å; T683-L717 VanDerWaalsContact CG2-CD1 3.42Å; T683-L717 HydrophobicContact CG2-CG 4.02Å; M687-L717 HydrophobicContact CE-CD1 3.49Å; M687-L717 VanDerWaalsContact CE-CD1 3.49Å; M687-L717 HydrophobicContact SD-CD1 4.47Å; S715-L717 PolarHBondContact O-N 2.92Å; S715-L717 VanDerWaalsContact O-N 3.16Å; S715-L717 WeakPolarHBondContact OG-CB 3.08Å; S715-L717 PolarHBondContact OG-N 3.4Å; L717-K719 PolarHBondContact O-N 3.24Å; L717-V720 HydrophobicContact CD2-CB 4.35Å; L717-V720 HydrophobicContact CD2-CG2 4.39Å; L717-V720 PolarHBondContact O-N 2.85Å; L717-V720 VanDerWaalsContact O-N 3.16Å; L717-L721 HydrophobicContact CB-CD1 3.83Å; L717-L721 HydrophobicContact CB-CG 4.08Å; L717-L721 WeakPolarHBondContact O-CB 3.47Å; L717-L721 WeakPolarHBondContact O-CG 3.49Å; L717-L721 PolarHBondContact O-N 3.21Å
718K64.9Low59.4Low101 Ų10171.6 Ų71.644%0.43937%0.367SS..Hα-helixtrans-54.3-44.3170.9-175.6177.1-167.2159.50110.1I707 S715 P716 S722I707-K718 HydrophobicContact CD1-CB 4.28Å; I707-K718 HydrophobicContact CG2-CB 4.25Å; I707-K718 HydrophobicContact CG2-CD 3.5Å; I707-K718 VanDerWaalsContact CG2-CE 3.48Å; I707-K718 HydrophobicContact CG2-CG 3.68Å; I707-K718 PolarHBondContact O-NZ 3.21Å; S715-K718 VanDerWaalsContact O-CB 3.26Å; S715-K718 WeakPolarHBondContact O-CB 3.24Å; S715-K718 PolarHBondContact O-N 3.44Å; P716-K718 PolarHBondContact O-N 2.76Å; K718-S722 WeakPolarHBondContact O-CB 3.22Å; K718-S722 PolarHBondContact O-N 2.78Å; K718-S722 PolarHBondContact O-OG 2.9Å
719K64.6Low58.3Low123 Ų12377.1 Ų77.154%0.53539%0.387SS..Hα-helixtrans-72.1-37.5178.9-167.5-176.8177.3-166.30112.1P716 L717 R723P716-K719 WeakPolarHBondContact O-CB 3.49Å; P716-K719 PolarHBondContact O-N 3.04Å; L717-K719 PolarHBondContact O-N 3.24Å; K719-R723 WeakPolarHBondContact O-CG 3.36Å; K719-R723 PolarHBondContact O-N 3.48Å
720V65.2Low57Low9 Ų985.6 Ų85.66%0.05541%0.412CS..Hα-helixtrans-72.8-44.2179.9-165.60000111.7F667 E673 P716 L717F667-V720 HydrophobicContact CD1-CG1 3.89Å; F667-V720 HydrophobicContact CE1-CB 4.32Å; F667-V720 HydrophobicContact CE1-CG1 3.41Å; F667-V720 VanDerWaalsContact CE1-CG1 3.41Å; F667-V720 HydrophobicContact CZ-CG1 4.31Å; E673-V720 HydrophobicContact CB-CG2 4.38Å; E673-V720 HydrophobicContact CG-CG2 4.31Å; P716-V720 PolarHBondContact O-N 3.27Å; L717-V720 HydrophobicContact CD2-CB 4.35Å; L717-V720 HydrophobicContact CD2-CG2 4.39Å; L717-V720 PolarHBondContact O-N 2.85Å; L717-V720 VanDerWaalsContact O-N 3.16Å
721L64.2Low56Low4 Ų489.3 Ų89.32%0.02144%0.437CS..Hα-helixtrans-77.5-30.6-178.2-62.3172.1000113.6L651 F667 M687 F700 M704 L717L651-L721 HydrophobicContact CD1-CD2 3.76Å; L651-L721 HydrophobicContact CD2-CD2 4.25Å; L651-L721 HydrophobicContact CG-CD2 4.35Å; F667-L721 HydrophobicContact CE1-CD2 3.87Å; F667-L721 HydrophobicContact CZ-CD2 4.32Å; M687-L721 HydrophobicContact CE-CD1 4.23Å; F700-L721 HydrophobicContact CE2-CD1 3.82Å; F700-L721 HydrophobicContact CE2-CD2 4.23Å; F700-L721 HydrophobicContact CZ-CD1 4.19Å; F700-L721 HydrophobicContact CZ-CD2 4.3Å; M704-L721 HydrophobicContact CE-CB 4.31Å; M704-L721 HydrophobicContact SD-CD1 3.78Å; L717-L721 HydrophobicContact CB-CD1 3.83Å; L717-L721 HydrophobicContact CB-CG 4.08Å; L717-L721 WeakPolarHBondContact O-CB 3.47Å; L717-L721 WeakPolarHBondContact O-CG 3.49Å; L717-L721 PolarHBondContact O-N 3.21Å
722S61.4Low55.1Low72 Ų7291.4 Ų91.450%0.50346%0.464SS..SBendtrans-83.4-8.9176.4660000113.9K718 T724K718-S722 WeakPolarHBondContact O-CB 3.22Å; K718-S722 PolarHBondContact O-N 2.78Å; K718-S722 PolarHBondContact O-OG 2.9Å; S722-T724 PolarHBondContact O-N 3.22Å
723R54Low53.7Low136 Ų13694.8 Ų94.851%0.51350%0.501SS..  trans-67.2104172.5-95.8-178.3170.3163.44.5109.4E673 K719 R725E673-R723 IonicContact OE1-CZ 3.71Å; E673-R723 IonicContact OE1-NH1 2.72Å; E673-R723 PolarHBondContact OE1-NH1 2.95Å; E673-R723 IonicContact OE1-NH2 3.48Å; E673-R723 PolarHBondContact OE1-NH2 3.1Å; K719-R723 WeakPolarHBondContact O-CG 3.36Å; K719-R723 PolarHBondContact O-N 3.48Å; R723-R725 PolarHBondContact O-N 3.21Å
724T48.2Very low52.8Low99 Ų9996.8 Ų96.861%0.60753%0.528SS*.  trans-60.6117.2152.632.50000107S722 I726S722-T724 PolarHBondContact O-N 3.22Å; T724-I726 PolarHBondContact O-N 3.37Å
725R43.6Very low52.2Low227 Ų227100.5 Ų100.586%0.85756%0.555SS**  trans-54.9110.3169.5-156-177.3-160.3-175.27.7105.4R723 P727R723-R725 PolarHBondContact O-N 3.21Å; R725-P727 WeakPolarHBondContact O-CD 3.47Å
726I47.2Very low51.7Low146 Ų146104.9 Ų104.975%0.74958%0.579SS**  trans-59.5114.1175.4-61171.8000104.8T724 V728T724-I726 PolarHBondContact O-N 3.37Å; I726-V728 PolarHBondContact O-N 3.01Å
727P43.7Very low51.2Low50 Ų50107.4 Ų107.433%0.32559%0.59SS.*  trans-69.1122.8-178.122.6-26.6000109.9R725 Y729 R730R725-P727 WeakPolarHBondContact O-CD 3.47Å; P727-Y729 HydrophobicContact CB-CD1 3.54Å; P727-Y729 HydrophobicContact CB-CD2 3.74Å; P727-Y729 HydrophobicContact CB-CE1 3.07Å; P727-Y729 HydrophobicContact CB-CE2 3.28Å; P727-Y729 HydrophobicContact CB-CG 3.86Å; P727-Y729 VanDerWaalsContact CB-OH 3.24Å; P727-Y729 WeakPolarHBondContact CB-OH 3.43Å; P727-Y729 HydrophobicContact CG-CD2 4.18Å; P727-Y729 HydrophobicContact CG-CE1 4.13Å; P727-Y729 HydrophobicContact CG-CE2 3.49Å; P727-Y729 VanDerWaalsContact CG-CE2 3.49Å; P727-Y729 VanDerWaalsContact CG-CZ 3.47Å; P727-Y729 WeakPolarHBondContact CG-OH 3.35Å; P727-Y729 PolarHBondContact O-N 2.94Å; P727-Y729 VanDerWaalsContact O-N 3.11Å; P727-R730 PolarHBondContact O-N 3.4Å
728V52.9Low50.6Low113 Ų113113.3 Ų113.369%0.68562%0.622SS**G310 helixtrans-71.8-1.9-179.3-126.60000113.1I726 R730 S731I726-V728 PolarHBondContact O-N 3.01Å; V728-R730 PolarHBondContact O-N 3.47Å; V728-R730 VanDerWaalsContact O-N 3.1Å; V728-S731 PolarHBondContact O-N 3.29Å; V728-S731 PolarHBondContact O-OG 3.43Å
729Y52.2Low49.7Very low204 Ų204114.1 Ų114.180%0.863%0.633SS**G310 helixtrans-66.8-4.3170.542.3-102.4000114P727P727-Y729 HydrophobicContact CB-CD1 3.54Å; P727-Y729 HydrophobicContact CB-CD2 3.74Å; P727-Y729 HydrophobicContact CB-CE1 3.07Å; P727-Y729 HydrophobicContact CB-CE2 3.28Å; P727-Y729 HydrophobicContact CB-CG 3.86Å; P727-Y729 VanDerWaalsContact CB-OH 3.24Å; P727-Y729 WeakPolarHBondContact CB-OH 3.43Å; P727-Y729 HydrophobicContact CG-CD2 4.18Å; P727-Y729 HydrophobicContact CG-CE1 4.13Å; P727-Y729 HydrophobicContact CG-CE2 3.49Å; P727-Y729 VanDerWaalsContact CG-CE2 3.49Å; P727-Y729 VanDerWaalsContact CG-CZ 3.47Å; P727-Y729 WeakPolarHBondContact CG-OH 3.35Å; P727-Y729 PolarHBondContact O-N 2.94Å; P727-Y729 VanDerWaalsContact O-N 3.11Å
730R44.5Very low48.8Very low227 Ų227113.5 Ų113.586%0.85764%0.639SS**G310 helixtrans-110.116.4165.7-70.5-164.9179.3-177.31.5114.6P727 V728 G732P727-R730 PolarHBondContact O-N 3.4Å; V728-R730 PolarHBondContact O-N 3.47Å; V728-R730 VanDerWaalsContact O-N 3.1Å; R730-G732 PolarHBondContact O-N 3.33Å
731S43.4Very low47.7Very low85 Ų85120.5 Ų120.559%0.59468%0.678SS**  trans-76.573.615865.70000108.8V728 G733V728-S731 PolarHBondContact O-N 3.29Å; V728-S731 PolarHBondContact O-OG 3.43Å; S731-G733 PolarHBondContact O-N 3.47Å
732G43.7Very low46.5Very low70 Ų70128.8 Ų128.872%0.72273%0.725SS**  trans-62120.5154.300000106.2R730 G734R730-G732 PolarHBondContact O-N 3.33Å; G732-G734 PolarHBondContact O-N 3.43Å
733G34.2Very low45.4Very low84 Ų84133.2 Ų133.287%0.86674%0.742SS**  trans-46.8137.6-173.200000113.8S731S731-G733 PolarHBondContact O-N 3.47Å
734G39Very low44.7Very low75 Ų75132.9 Ų132.977%0.77376%0.761SS**  trans-167.879168.700000105.7G732G732-G734 PolarHBondContact O-N 3.43Å
735V43.4Very low44.4Very low215 Ų215136 Ų136100%1.30378%0.775SS**  trans-670169.8-1700000108.6

Retrieved 735 of 735 residues in 445.6 ms (Link to these results)

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