A0A077ZFC3_TRITR Loading...

ABC tran domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFC3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 253 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
1M56.7Low92.8Very high239 Ų23962.9 Ų62.9100%1.17731%0.307SS*.  0133.50-85.2164.8178.100107.3
2N88.9Confident93.1Very high96 Ų9659.3 Ų59.351%0.51329%0.288SS..  trans-109.829.4-177.5-151.223.1000110.6L4 D34 K35N2-L4 PolarHBondContact O-N 3.36Å; N2-D34 WeakPolarHBondContact O-CA 3.41Å; N2-K35 PolarHBondContact O-N 2.66Å
3E95Very high93.3Very high67 Ų6760.3 Ų60.331%0.31330%0.295SS..EExtended strand (participates in β ladder)trans-65.2120.8-175.4-173.3174.370.900109.6K6 S32 D34E3-K6 HydrophobicContact CG-CB 4.41Å; E3-K6 VanDerWaalsContact OE1-CD 3.29Å; E3-K6 WeakPolarHBondContact OE1-CD 3.18Å; E3-K6 WeakPolarHBondContact OE1-CG 3.13Å; E3-S32 VanDerWaalsContact OE2-CB 3.25Å; E3-S32 WeakPolarHBondContact OE2-CB 3.26Å; E3-D34 WeakPolarHBondContact CA-OD1 3.46Å; E3-D34 PolarHBondContact N-OD1 2.95Å
4L97.9Very high93.2Very high3 Ų361.9 Ų61.92%0.01630%0.297CS..EExtended strand (participates in β ladder)trans-93.2-51.7177.2-179.465.6000110.9N2 V33 K35 L69 D70 D166 L167 T198N2-L4 PolarHBondContact O-N 3.36Å; L4-V33 PolarHBondContact N-O 2.87Å; L4-K35 HydrophobicContact CB-CG 3.73Å; L4-K35 HydrophobicContact CD1-CG 4.12Å; L4-K35 HydrophobicContact CG-CG 4.34Å; L4-L69 HydrophobicContact CD1-CD1 4.29Å; L4-L69 HydrophobicContact CG-CD1 3.96Å; L4-L69 CarbonylContact O-C 3.55Å; L4-L69 WeakPolarHBondContact O-CA 3.35Å; L4-D70 HydrophobicContact CD1-CB 4.16Å; L4-D70 PolarHBondContact O-N 3.19Å; L4-D166 HydrophobicContact CD1-CB 4.05Å; L4-D166 HydrophobicContact CD2-CB 4.33Å; L4-D166 WeakPolarHBondContact CD2-O 3.41Å; L4-L167 HydrophobicContact CD2-CB 4.19Å; L4-L167 HydrophobicContact CD2-CD1 4.48Å; L4-T198 HydrophobicContact CD2-CG2 3.78Å; L4-T198 WeakPolarHBondContact CD2-OG1 3.39Å
5L98.2Very high92.9Very high0 Ų069.7 Ų69.70%033%0.333CS..EExtended strand (participates in β ladder)trans-116.3130.5-178.8179.374.6000108.7V7 S32 V33 I56 I67 L68 L69 L167 L200L5-V7 HydrophobicContact CD1-CG2 4.45Å; L5-V7 HydrophobicContact CD2-CG2 4.09Å; L5-V7 HydrophobicContact CG-CG2 4.08Å; L5-S32 CarbonylContact O-C 3.54Å; L5-S32 VanDerWaalsContact O-CA 3.3Å; L5-S32 WeakPolarHBondContact O-CA 3.29Å; L5-V33 HydrophobicContact CB-CB 4.02Å; L5-V33 HydrophobicContact CB-CG2 4.31Å; L5-V33 HydrophobicContact CD2-CG2 4.03Å; L5-V33 PolarHBondContact N-O 2.97Å; L5-V33 PolarHBondContact O-N 3.35Å; L5-I56 HydrophobicContact CD1-CG2 3.83Å; L5-I56 HydrophobicContact CD2-CD1 3.87Å; L5-I56 HydrophobicContact CD2-CG1 4.25Å; L5-I56 HydrophobicContact CD2-CG2 4.01Å; L5-I67 HydrophobicContact CD1-CG2 3.69Å; L5-L68 WeakPolarHBondContact CA-O 3.37Å; L5-L69 HydrophobicContact CB-CD1 4.32Å; L5-L69 HydrophobicContact CD1-CD1 4.09Å; L5-L167 HydrophobicContact CD1-CD2 4.49Å; L5-L167 HydrophobicContact CD2-CD2 4.15Å; L5-L200 HydrophobicContact CD2-CD2 4.11Å
6K98Very high92Very high61 Ų6168.9 Ų68.927%0.26533%0.334SS..EExtended strand (participates in β ladder)trans-125.8123.9170.8-157.2-169-165.5-163.30109.7E3 E8 I67 L68E3-K6 HydrophobicContact CG-CB 4.41Å; E3-K6 VanDerWaalsContact OE1-CD 3.29Å; E3-K6 WeakPolarHBondContact OE1-CD 3.18Å; E3-K6 WeakPolarHBondContact OE1-CG 3.13Å; K6-E8 HydrophobicContact CD-CG 3.89Å; K6-E8 WeakPolarHBondContact CE-OE1 3.25Å; K6-E8 HydrophobicContact CG-CG 3.93Å; K6-E8 IonicContact NZ-OE1 2.66Å; K6-E8 PolarHBondContact NZ-OE1 2.85Å; K6-E8 IonicContact NZ-OE2 3.36Å; K6-E8 PolarHBondContact NZ-OE2 3.33Å; K6-I67 CarbonylContact O-C 3.56Å; K6-I67 WeakPolarHBondContact O-CA 3.39Å; K6-L68 HydrophobicContact CB-CB 4.09Å; K6-L68 HydrophobicContact CB-CD1 4.23Å; K6-L68 HydrophobicContact CD-CD1 3.89Å; K6-L68 PolarHBondContact N-O 2.89Å; K6-L68 PolarHBondContact O-N 3.36Å
7V97.7Very high90.9Very high2 Ų275.8 Ų75.81%0.01237%0.365CS..EExtended strand (participates in β ladder)trans-116117.3177.7-178.10000106L5 I10 I29 D30 L31 L52 I56 I67L5-V7 HydrophobicContact CD1-CG2 4.45Å; L5-V7 HydrophobicContact CD2-CG2 4.09Å; L5-V7 HydrophobicContact CG-CG2 4.08Å; V7-I10 HydrophobicContact CG1-CB 3.86Å; V7-I10 HydrophobicContact CG1-CG1 3.47Å; V7-I10 VanDerWaalsContact CG1-CG1 3.47Å; V7-I29 HydrophobicContact CG1-CG2 4.04Å; V7-D30 WeakPolarHBondContact O-CA 3.49Å; V7-L31 HydrophobicContact CB-CB 3.99Å; V7-L31 WeakPolarHBondContact CB-O 3.46Å; V7-L31 HydrophobicContact CG2-CB 4.22Å; V7-L31 HydrophobicContact CG2-CD2 4.32Å; V7-L31 HydrophobicContact CG2-CG 4.46Å; V7-L31 PolarHBondContact N-O 2.79Å; V7-L31 PolarHBondContact O-N 2.98Å; V7-L52 HydrophobicContact CG1-CD1 4.19Å; V7-I56 HydrophobicContact CG2-CD1 4.37Å; V7-I56 HydrophobicContact CG2-CG1 4.4Å; V7-I67 HydrophobicContact CG2-CG2 4.29Å
8E96.9Very high89.5Confident73 Ų7381.9 Ų81.934%0.34139%0.39SS..EExtended strand (participates in β ladder)trans-124.3117.8-174.1-64.3-173.7110.300111K6 I10 D30 G65 T66K6-E8 HydrophobicContact CD-CG 3.89Å; K6-E8 WeakPolarHBondContact CE-OE1 3.25Å; K6-E8 HydrophobicContact CG-CG 3.93Å; K6-E8 IonicContact NZ-OE1 2.66Å; K6-E8 PolarHBondContact NZ-OE1 2.85Å; K6-E8 IonicContact NZ-OE2 3.36Å; K6-E8 PolarHBondContact NZ-OE2 3.33Å; E8-I10 PolarHBondContact O-N 2.58Å; E8-I10 VanDerWaalsContact O-N 3.15Å; E8-D30 WeakPolarHBondContact CA-OD1 3.33Å; E8-G65 VanDerWaalsContact O-CA 3.26Å; E8-G65 WeakPolarHBondContact O-CA 3.46Å; E8-T66 PolarHBondContact N-O 3.38Å; E8-T66 PolarHBondContact O-N 3.25Å
9N96.7Very high88.1Confident82 Ų8289.1 Ų89.144%0.43942%0.42SS..EExtended strand (participates in β ladder)trans50.639.1173.8-161.410.4000113.2K11 S28 I29 D30 G65N9-K11 PolarHBondContact O-N 3.27Å; N9-S28 WeakPolarHBondContact OD1-CB 3.42Å; N9-S28 PolarHBondContact OD1-OG 3.19Å; N9-I29 PolarHBondContact N-O 2.76Å; N9-D30 PolarHBondContact N-OD1 2.89Å; N9-G65 WeakPolarHBondContact O-CA 3.4Å
10I97.3Very high87.2Confident0 Ų086.6 Ų86.60%042%0.419CS..EExtended strand (participates in β ladder)trans-71.4128.3-174.2-76.4-70.4000110.8V7 E8 L26 S28 I29 L55 P62 S64 G65 I67V7-I10 HydrophobicContact CG1-CB 3.86Å; V7-I10 HydrophobicContact CG1-CG1 3.47Å; V7-I10 VanDerWaalsContact CG1-CG1 3.47Å; E8-I10 PolarHBondContact O-N 2.58Å; E8-I10 VanDerWaalsContact O-N 3.15Å; I10-L26 HydrophobicContact CG2-CD1 3.88Å; I10-S28 CarbonylContact O-C 3.5Å; I10-S28 VanDerWaalsContact O-CA 3.27Å; I10-S28 WeakPolarHBondContact O-CA 3.33Å; I10-S28 PolarHBondContact O-N 2.86Å; I10-I29 HydrophobicContact CB-CB 4.43Å; I10-I29 PolarHBondContact N-O 2.75Å; I10-I29 PolarHBondContact O-N 3.26Å; I10-L55 HydrophobicContact CG2-CD1 3.66Å; I10-P62 HydrophobicContact CD1-CB 3.59Å; I10-P62 HydrophobicContact CD1-CG 3.91Å; I10-P62 HydrophobicContact CG2-CB 4.48Å; I10-S64 WeakPolarHBondContact CA-O 3.48Å; I10-G65 VanDerWaalsContact CD1-C 3.48Å; I10-I67 HydrophobicContact CD1-CD1 4.01Å; I10-I67 HydrophobicContact CD1-CG1 3.48Å; I10-I67 VanDerWaalsContact CD1-CG1 3.48Å; I10-I67 HydrophobicContact CG1-CD1 4.28Å; I10-I67 HydrophobicContact CG1-CG1 3.8Å
11K97.2Very high86.9Confident69 Ų6990.4 Ų90.430%0.344%0.438SS..EExtended strand (participates in β ladder)trans-122.7147.4170.2-58.2-175.3-179.9-176.50110.7N9 L26 S28 S63 S64N9-K11 PolarHBondContact O-N 3.27Å; K11-L26 VanDerWaalsContact CA-O 3.28Å; K11-L26 WeakPolarHBondContact CA-O 3.41Å; K11-S28 WeakPolarHBondContact CE-OG 3.11Å; K11-S63 PolarHBondContact O-N 3.12Å; K11-S64 WeakPolarHBondContact CB-OG 3.47Å; K11-S64 WeakPolarHBondContact CD-OG 3.2Å; K11-S64 WeakPolarHBondContact CG-OG 3.43Å; K11-S64 PolarHBondContact N-O 2.89Å; K11-S64 PolarHBondContact O-N 3.47Å
12K96.8Very high88.4Confident19 Ų1983.2 Ų83.28%0.08341%0.409CS..EExtended strand (participates in β ladder)trans-139.6119.5172.2-17758172-169.70110.3Y14 E24 A25 L26 T51 L55 D60 K61K12-Y14 HydrophobicContact CD-CE1 4.45Å; K12-Y14 HydrophobicContact CD-CE2 4.49Å; K12-Y14 WeakPolarHBondContact CE-OH 3.35Å; K12-Y14 HydrophobicContact CG-CD2 4.21Å; K12-Y14 HydrophobicContact CG-CE1 4.46Å; K12-Y14 HydrophobicContact CG-CE2 3.67Å; K12-E24 CarbonylContact O-C 3.58Å; K12-A25 PolarHBondContact O-N 2.86Å; K12-L26 HydrophobicContact CB-CB 4.13Å; K12-L26 HydrophobicContact CB-CD1 4.19Å; K12-L26 HydrophobicContact CB-CG 4.22Å; K12-L26 PolarHBondContact N-O 3.47Å; K12-L26 VanDerWaalsContact N-O 3.09Å; K12-L26 PolarHBondContact O-N 2.8Å; K12-T51 HydrophobicContact CB-CG2 3.95Å; K12-T51 HydrophobicContact CG-CG2 3.66Å; K12-L55 HydrophobicContact CB-CD1 4.15Å; K12-L55 HydrophobicContact CD-CD2 4.41Å; K12-D60 WeakPolarHBondContact CE-OD2 3.18Å; K12-D60 IonicContact NZ-OD1 3.63Å; K12-D60 PolarHBondContact NZ-OD1 2.88Å; K12-D60 IonicContact NZ-OD2 3.88Å; K12-D60 PolarHBondContact NZ-OD2 3.23Å; K12-K61 WeakPolarHBondContact CD-O 3.47Å; K12-K61 PolarHBondContact NZ-O 3.1Å
13I95.1Very high88.4Confident73 Ų7382.7 Ų82.737%0.37441%0.409SS..EExtended strand (participates in β ladder)trans-115.9121.7176.4-57.1172.2000107.5P22 V23 E24 S63I13-P22 HydrophobicContact CG2-CB 3.63Å; I13-V23 WeakPolarHBondContact CA-O 3.44Å; I13-E24 HydrophobicContact CG1-CB 4.31Å; I13-E24 HydrophobicContact CG1-CG 3.99Å; I13-S63 PolarHBondContact N-OG 3.19Å
14Y92.9Very high88.3Confident82 Ų8282.9 Ų82.932%0.32241%0.41SS..EExtended strand (participates in β ladder)trans-93.6127.3171.5-69.8-74.8000109.7K12 P22 V23 A25 T51 D60K12-Y14 HydrophobicContact CD-CE1 4.45Å; K12-Y14 HydrophobicContact CD-CE2 4.49Å; K12-Y14 WeakPolarHBondContact CE-OH 3.35Å; K12-Y14 HydrophobicContact CG-CD2 4.21Å; K12-Y14 HydrophobicContact CG-CE1 4.46Å; K12-Y14 HydrophobicContact CG-CE2 3.67Å; Y14-P22 WeakPolarHBondContact O-CA 3.37Å; Y14-V23 PolarHBondContact N-O 3.37Å; Y14-V23 PolarHBondContact O-N 3.33Å; Y14-A25 HydrophobicContact CD2-CB 3.85Å; Y14-A25 HydrophobicContact CE2-CB 3.78Å; Y14-T51 HydrophobicContact CE2-CG2 3.86Å; Y14-T51 WeakPolarHBondContact OH-CG2 3.25Å; Y14-D60 VanDerWaalsContact CE1-OD2 3.3Å; Y14-D60 WeakPolarHBondContact CE1-OD2 3.23Å; Y14-D60 PolarHBondContact OH-OD2 2.9Å
15Q88.1Confident88.1Confident180 Ų18083.3 Ų83.384%0.84142%0.415SS*.PPolyproline II helixtrans-80.9133.2169.7-64.7-167.21.200109.4
16T79.4Confident88.1Confident57 Ų5783.3 Ų83.335%0.3542%0.415SS..PPolyproline II helixtrans-83.3141.9174.369.60000109.6F18 G20 M21 V23T16-F18 PolarHBondContact O-N 3.25Å; T16-F18 VanDerWaalsContact O-N 3.14Å; T16-G20 WeakPolarHBondContact OG1-CA 3.27Å; T16-G20 PolarHBondContact OG1-N 2.87Å; T16-G20 PolarHBondContact OG1-O 3.2Å; T16-M21 WeakPolarHBondContact CG2-O 3.27Å; T16-V23 HydrophobicContact CG2-CG2 4.46Å
17Q72.5Confident87.9Confident185 Ų18585.5 Ų85.586%0.86442%0.421SS*.THydrogen-bonded Turntrans-68.5-10.7-175.2-69.1-171.7-21.700114.2
18F65Low87.8Confident186 Ų18687.3 Ų87.382%0.81643%0.434SS*.THydrogen-bonded Turntrans-129.152.2-170.2-65.9-73.6000114.6T16 G20T16-F18 PolarHBondContact O-N 3.25Å; T16-F18 VanDerWaalsContact O-N 3.14Å; F18-G20 PolarHBondContact O-N 2.86Å
19K63.3Low87.8Confident219 Ų21983.9 Ų83.995%0.95242%0.418SS*.SBendtrans5414.6179.6-69.2-173.9175.2-178.50114.9
20G69.5Low87.8Confident39 Ų3984.6 Ų84.640%0.40242%0.422SS..PPolyproline II helixtrans-71.9159174.600000110.5T16 F18T16-G20 WeakPolarHBondContact OG1-CA 3.27Å; T16-G20 PolarHBondContact OG1-N 2.87Å; T16-G20 PolarHBondContact OG1-O 3.2Å; F18-G20 PolarHBondContact O-N 2.86Å
21M82.2Confident87.7Confident167 Ų16785 Ų8582%0.82342%0.424SS*.PPolyproline II helixtrans-58.5136.5177.5-70.4-150.7-68.100110.5T16T16-M21 WeakPolarHBondContact CG2-O 3.27Å
22P87.1Confident87.7Confident88 Ų8883.7 Ų83.757%0.57142%0.423SS*.PPolyproline II helixtrans-58.4140.4174.425.8-33.9000109.8I13 Y14I13-P22 HydrophobicContact CG2-CB 3.63Å; Y14-P22 WeakPolarHBondContact O-CA 3.37Å
23V89.6Confident87.7Confident85 Ų8582.8 Ų82.852%0.51542%0.419SS..EExtended strand (participates in β ladder)trans-99.7113.8178.3179.40000108.3I13 Y14 T16 A25I13-V23 WeakPolarHBondContact CA-O 3.44Å; Y14-V23 PolarHBondContact N-O 3.37Å; Y14-V23 PolarHBondContact O-N 3.33Å; T16-V23 HydrophobicContact CG2-CG2 4.46Å; V23-A25 PolarHBondContact O-N 3.07Å
24E92.7Very high87.8Confident70 Ų7082.5 Ų82.533%0.32742%0.418SS..EExtended strand (participates in β ladder)trans-83.697.3172.9-167.8173.7-164.200109.5K12 I13 R27K12-E24 CarbonylContact O-C 3.58Å; I13-E24 HydrophobicContact CG1-CB 4.31Å; I13-E24 HydrophobicContact CG1-CG 3.99Å; E24-R27 HydrophobicContact CG-CG 3.7Å; E24-R27 IonicContact OE2-NE 3.18Å
25A94.6Very high88.1Confident13 Ų1382.7 Ų82.711%0.10742%0.421CS..EExtended strand (participates in β ladder)trans-78.1-29.6-177.700000113K12 Y14 V23 T51 G221K12-A25 PolarHBondContact O-N 2.86Å; Y14-A25 HydrophobicContact CD2-CB 3.85Å; Y14-A25 HydrophobicContact CE2-CB 3.78Å; V23-A25 PolarHBondContact O-N 3.07Å; A25-T51 HydrophobicContact CB-CG2 4.07Å; A25-G221 VanDerWaalsContact O-CA 3.29Å; A25-G221 WeakPolarHBondContact O-CA 3.49Å
26L96.7Very high88.5Confident0 Ų075 Ų750%039%0.39CS..EExtended strand (participates in β ladder)trans-135.7136.4175.5-59.7176.7000110.2I10 K11 K12 I29 T51 L52 L55I10-L26 HydrophobicContact CG2-CD1 3.88Å; K11-L26 VanDerWaalsContact CA-O 3.28Å; K11-L26 WeakPolarHBondContact CA-O 3.41Å; K12-L26 HydrophobicContact CB-CB 4.13Å; K12-L26 HydrophobicContact CB-CD1 4.19Å; K12-L26 HydrophobicContact CB-CG 4.22Å; K12-L26 PolarHBondContact N-O 3.47Å; K12-L26 VanDerWaalsContact N-O 3.09Å; K12-L26 PolarHBondContact O-N 2.8Å; L26-I29 HydrophobicContact CB-CG1 4.27Å; L26-I29 HydrophobicContact CD2-CG1 4.01Å; L26-T51 HydrophobicContact CD1-CG2 3.94Å; L26-T51 HydrophobicContact CG-CG2 4.04Å; L26-L52 HydrophobicContact CD1-CB 4.01Å; L26-L52 HydrophobicContact CD1-CD1 4.24Å; L26-L52 HydrophobicContact CD2-CB 4.19Å; L26-L55 HydrophobicContact CD1-CD1 3.5Å; L26-L55 VanDerWaalsContact CD1-CD1 3.5Å
27R95.6Very high89.4Confident106 Ų10674.1 Ų74.140%0.438%0.383SS..EExtended strand (participates in β ladder)trans-12868.7-168.4-59.8-174.2-178.2178.52.3111.8E24 D220 G221 Q222E24-R27 HydrophobicContact CG-CG 3.7Å; E24-R27 IonicContact OE2-NE 3.18Å; R27-D220 VanDerWaalsContact CD-O 3.29Å; R27-D220 WeakPolarHBondContact CD-O 3.33Å; R27-G221 PolarHBondContact N-O 3.22Å; R27-Q222 HydrophobicContact CB-CG 3.63Å; R27-Q222 WeakPolarHBondContact O-CG 3.21Å; R27-Q222 PolarHBondContact O-NE2 2.75Å
28S94.7Very high90.6Very high41 Ų4165.4 Ų65.429%0.28734%0.342SS..EExtended strand (participates in β ladder)trans6863.4-177.8-65.70000113.1N9 I10 K11N9-S28 WeakPolarHBondContact OD1-CB 3.42Å; N9-S28 PolarHBondContact OD1-OG 3.19Å; I10-S28 CarbonylContact O-C 3.5Å; I10-S28 VanDerWaalsContact O-CA 3.27Å; I10-S28 WeakPolarHBondContact O-CA 3.33Å; I10-S28 PolarHBondContact O-N 2.86Å; K11-S28 WeakPolarHBondContact CE-OG 3.11Å
29I96.5Very high92.2Very high0 Ų056.5 Ų56.50%030%0.303CS..EExtended strand (participates in β ladder)trans-76.9127.4171.5-64.2-70000109.8V7 N9 I10 L26 L31 L52 I218 G221 V223V7-I29 HydrophobicContact CG1-CG2 4.04Å; N9-I29 PolarHBondContact N-O 2.76Å; I10-I29 HydrophobicContact CB-CB 4.43Å; I10-I29 PolarHBondContact N-O 2.75Å; I10-I29 PolarHBondContact O-N 3.26Å; L26-I29 HydrophobicContact CB-CG1 4.27Å; L26-I29 HydrophobicContact CD2-CG1 4.01Å; I29-L31 HydrophobicContact CG2-CB 4.41Å; I29-L52 HydrophobicContact CG2-CD1 4.18Å; I29-L52 HydrophobicContact CG2-CD2 4.07Å; I29-I218 HydrophobicContact CD1-CD1 4.26Å; I29-G221 WeakPolarHBondContact CD1-O 3.42Å; I29-G221 WeakPolarHBondContact CG1-O 3.4Å; I29-V223 HydrophobicContact CD1-CG2 3.73Å; I29-V223 HydrophobicContact CG2-CG2 4.08Å
30D96.2Very high93.9Very high98 Ų9846.1 Ų46.152%0.52426%0.258SS..EExtended strand (participates in β ladder)trans-112.5129.5163.1-64.4-58.1000109.4V7 E8 N9V7-D30 WeakPolarHBondContact O-CA 3.49Å; E8-D30 WeakPolarHBondContact CA-OD1 3.33Å; N9-D30 PolarHBondContact N-OD1 2.89Å
31L95.7Very high95.2Very high9 Ų944.4 Ų44.45%0.04724%0.24CC..EExtended strand (participates in β ladder)trans-153140.8179.416471.2000109.6V7 I29 V33 I41 L200 L216V7-L31 HydrophobicContact CB-CB 3.99Å; V7-L31 WeakPolarHBondContact CB-O 3.46Å; V7-L31 HydrophobicContact CG2-CB 4.22Å; V7-L31 HydrophobicContact CG2-CD2 4.32Å; V7-L31 HydrophobicContact CG2-CG 4.46Å; V7-L31 PolarHBondContact N-O 2.79Å; V7-L31 PolarHBondContact O-N 2.98Å; I29-L31 HydrophobicContact CG2-CB 4.41Å; L31-V33 HydrophobicContact CD1-CG2 4.28Å; L31-V33 HydrophobicContact CD2-CG2 4.45Å; L31-V33 HydrophobicContact CG-CG2 4.32Å; L31-I41 HydrophobicContact CD2-CD1 4.19Å; L31-L200 HydrophobicContact CD2-CD2 4.49Å; L31-L216 HydrophobicContact CD1-CD1 3.67Å; L31-L216 HydrophobicContact CD1-CD2 3.56Å; L31-L216 HydrophobicContact CD1-CG 4.28Å
32S96.8Very high95.9Very high40 Ų4036.6 Ų36.628%0.2820%0.201SC..EExtended strand (participates in β ladder)trans-127.4147.7167.761.10000110.9E3 L5 R214E3-S32 VanDerWaalsContact OE2-CB 3.25Å; E3-S32 WeakPolarHBondContact OE2-CB 3.26Å; L5-S32 CarbonylContact O-C 3.54Å; L5-S32 VanDerWaalsContact O-CA 3.3Å; L5-S32 WeakPolarHBondContact O-CA 3.29Å; S32-R214 PolarHBondContact O-NH1 3.38Å
33V97.9Very high96.1Very high0 Ų033.1 Ų33.10%018%0.182CC..EExtended strand (participates in β ladder)trans-134.7123.1175-174.10000108.2L4 L5 L31 D37 V39 T198 L200L4-V33 PolarHBondContact N-O 2.87Å; L5-V33 HydrophobicContact CB-CB 4.02Å; L5-V33 HydrophobicContact CB-CG2 4.31Å; L5-V33 HydrophobicContact CD2-CG2 4.03Å; L5-V33 PolarHBondContact N-O 2.97Å; L5-V33 PolarHBondContact O-N 3.35Å; L31-V33 HydrophobicContact CD1-CG2 4.28Å; L31-V33 HydrophobicContact CD2-CG2 4.45Å; L31-V33 HydrophobicContact CG-CG2 4.32Å; V33-D37 HydrophobicContact CG1-CB 3.66Å; V33-V39 HydrophobicContact CG1-CG2 3.94Å; V33-V39 HydrophobicContact CG2-CG2 4.16Å; V33-T198 HydrophobicContact CG1-CG2 3.58Å; V33-L200 HydrophobicContact CG2-CD1 4.33Å
34D97.8Very high96.1Very high67 Ų6735.1 Ų35.136%0.35819%0.185SC..EExtended strand (participates in β ladder)trans-84.5156.7176.5-72.5-31.1000111.2N2 E3 G36 D37 T198N2-D34 WeakPolarHBondContact O-CA 3.41Å; E3-D34 WeakPolarHBondContact CA-OD1 3.46Å; E3-D34 PolarHBondContact N-OD1 2.95Å; D34-G36 PolarHBondContact O-N 3.04Å; D34-D37 PolarHBondContact N-OD2 2.76Å; D34-D37 VanDerWaalsContact O-CB 3.27Å; D34-D37 WeakPolarHBondContact O-CB 3.35Å; D34-D37 PolarHBondContact O-N 2.94Å; D34-T198 WeakPolarHBondContact O-CG2 3.43Å
35K97.5Very high95.8Very high86 Ų8637.7 Ų37.737%0.37421%0.211SC..THydrogen-bonded Turntrans-57127.2174.1-67.6-176.6-174.4-175.40110.1N2 L4 D70N2-K35 PolarHBondContact O-N 2.66Å; L4-K35 HydrophobicContact CB-CG 3.73Å; L4-K35 HydrophobicContact CD1-CG 4.12Å; L4-K35 HydrophobicContact CG-CG 4.34Å; K35-D70 WeakPolarHBondContact CE-OD1 3.39Å; K35-D70 IonicContact NZ-OD1 3.65Å; K35-D70 PolarHBondContact NZ-OD1 3.26Å; K35-D70 IonicContact NZ-OD2 3.6Å
36G97.2Very high95.5Very high18 Ų1840.8 Ų40.819%0.18624%0.244CC..THydrogen-bonded Turntrans84.95.1-178.200000114.9D34 N193 T198 K213D34-G36 PolarHBondContact O-N 3.04Å; G36-N193 PolarHBondContact O-ND2 2.98Å; G36-T198 PolarHBondContact N-OG1 2.86Å; G36-K213 PolarHBondContact O-NZ 2.9Å
37D97.7Very high95.3Very high39 Ų3941.1 Ų41.121%0.20925%0.246CC..  trans-71.2148.6170.9-85-13.8000112.2V33 D34 V39 N193 T198 I199V33-D37 HydrophobicContact CG1-CB 3.66Å; D34-D37 PolarHBondContact N-OD2 2.76Å; D34-D37 VanDerWaalsContact O-CB 3.27Å; D34-D37 WeakPolarHBondContact O-CB 3.35Å; D34-D37 PolarHBondContact O-N 2.94Å; D37-V39 HydrophobicContact CB-CG2 3.95Å; D37-N193 VanDerWaalsContact C-ND2 3.29Å; D37-N193 PolarHBondContact O-ND2 3.41Å; D37-N193 VanDerWaalsContact O-ND2 3.16Å; D37-T198 HydrophobicContact CB-CG2 4.47Å; D37-T198 CarbonylContact O-C 3.56Å; D37-T198 WeakPolarHBondContact O-CA 3.45Å; D37-I199 PolarHBondContact O-N 3Å
38Y98.3Very high95.2Very high2 Ų236.3 Ų36.31%0.00823%0.23CC..EExtended strand (participates in β ladder)trans-119.2106.5162.8-173.4-179.7000107.6F189 Q190 N193 I199 M201 H211 A212 K213 R214Y38-F189 HydrophobicContact CE1-CB 4.04Å; Y38-F189 HydrophobicContact CE2-CD1 4.49Å; Y38-Q190 HydrophobicContact CE1-CG 4.24Å; Y38-N193 HydrophobicContact CD1-CB 4.2Å; Y38-N193 HydrophobicContact CG-CB 4.44Å; Y38-I199 WeakPolarHBondContact CA-O 3.39Å; Y38-I199 HydrophobicContact CD2-CB 3.64Å; Y38-I199 HydrophobicContact CD2-CG2 3.63Å; Y38-I199 HydrophobicContact CE2-CB 4.08Å; Y38-I199 HydrophobicContact CE2-CG2 3.55Å; Y38-I199 HydrophobicContact CG-CB 4.15Å; Y38-I199 HydrophobicContact CG-CD1 4.49Å; Y38-M201 HydrophobicContact CE2-CB 4.08Å; Y38-M201 HydrophobicContact CE2-CE 4.05Å; Y38-M201 WeakPolarHBondContact OH-CE 3.36Å; Y38-H211 WeakPolarHBondContact CD1-O 3.3Å; Y38-H211 HydrophobicContact CE1-CB 4.17Å; Y38-A212 HydrophobicContact CD1-CB 4.48Å; Y38-A212 HydrophobicContact CD2-CB 3.95Å; Y38-A212 HydrophobicContact CE2-CB 4.17Å; Y38-A212 HydrophobicContact CG-CB 4.11Å; Y38-A212 WeakPolarHBondContact O-CB 3.27Å; Y38-K213 PolarHBondContact O-N 3.47Å; Y38-R214 PolarHBondContact O-N 3.15Å
39V98.5Very high95.2Very high0 Ų035.1 Ų35.10%022%0.22CC..EExtended strand (participates in β ladder)trans-111.8130.8-176.9-176.10000109.6V33 D37 I199 L200 M201 R214 L216V33-V39 HydrophobicContact CG1-CG2 3.94Å; V33-V39 HydrophobicContact CG2-CG2 4.16Å; D37-V39 HydrophobicContact CB-CG2 3.95Å; V39-I199 PolarHBondContact N-O 3.15Å; V39-L200 HydrophobicContact CB-CD1 3.68Å; V39-L200 HydrophobicContact CG1-CD1 3.7Å; V39-L200 WeakPolarHBondContact O-CA 3.3Å; V39-M201 PolarHBondContact O-N 2.97Å; V39-R214 CarbonylContact C-O 3.52Å; V39-R214 WeakPolarHBondContact CA-O 3.3Å; V39-R214 HydrophobicContact CG2-CB 4.37Å; V39-L216 HydrophobicContact CG1-CD1 3.13Å
40A98.4Very high95Very high0 Ų037.5 Ų37.50%024%0.237CC..EExtended strand (participates in β ladder)trans-104.4137.8167.100000110.2M201 A209 A212 R214 V215 L216A40-M201 CarbonylContact C-O 3.56Å; A40-M201 VanDerWaalsContact CA-O 3.24Å; A40-M201 WeakPolarHBondContact CA-O 3.43Å; A40-M201 HydrophobicContact CB-CE 4.22Å; A40-A209 HydrophobicContact CB-CB 3.92Å; A40-A212 HydrophobicContact CB-CB 3.72Å; A40-R214 PolarHBondContact N-O 2.89Å; A40-V215 HydrophobicContact CB-CG2 4.32Å; A40-V215 CarbonylContact O-C 3.59Å; A40-V215 VanDerWaalsContact O-CA 3.26Å; A40-V215 WeakPolarHBondContact O-CA 3.27Å; A40-L216 PolarHBondContact O-N 3.33Å
41I97.8Very high94.9Very high3 Ų334 Ų342%0.01522%0.218CC..EExtended strand (participates in β ladder)trans-109.7116.9171-62.9169.8000107.1L31 K49 L52 L200 M201 V202 T203 L216 I218L31-I41 HydrophobicContact CD2-CD1 4.19Å; I41-K49 HydrophobicContact CG2-CD 4.5Å; I41-K49 HydrophobicContact CG2-CG 4.07Å; I41-L52 HydrophobicContact CD1-CD2 3.9Å; I41-L200 HydrophobicContact CD1-CD1 3.68Å; I41-L200 HydrophobicContact CD1-CD2 4.14Å; I41-L200 HydrophobicContact CD1-CG 4.07Å; I41-L200 HydrophobicContact CG1-CD1 3.95Å; I41-M201 PolarHBondContact N-O 3.15Å; I41-V202 HydrophobicContact CB-CG1 3.72Å; I41-V202 HydrophobicContact CG2-CG1 3.86Å; I41-V202 WeakPolarHBondContact O-CA 3.4Å; I41-T203 PolarHBondContact O-N 3.3Å; I41-L216 CarbonylContact C-O 3.53Å; I41-L216 WeakPolarHBondContact CA-O 2.89Å; I41-I218 HydrophobicContact CG2-CB 4.43Å; I41-I218 HydrophobicContact CG2-CD1 3.38Å; I41-I218 HydrophobicContact CG2-CG1 3.75Å
42M96.2Very high95Very high3 Ų333.6 Ų33.62%0.01522%0.216CC..EExtended strand (participates in β ladder)trans-107158.3178.1-66.4-168.679.500112.3T203 A209 V215 L216 F217 I218 I241 L245M42-T203 VanDerWaalsContact CA-O 3.28Å; M42-T203 WeakPolarHBondContact CA-O 3.2Å; M42-T203 HydrophobicContact CG-CG2 4.47Å; M42-A209 HydrophobicContact CE-CB 4.19Å; M42-A209 HydrophobicContact CG-CB 3.77Å; M42-A209 HydrophobicContact SD-CB 3.27Å; M42-A209 WeakPolarHBondContact SD-CB 3.46Å; M42-V215 HydrophobicContact CB-CG1 4.26Å; M42-V215 HydrophobicContact CG-CG1 3.73Å; M42-V215 HydrophobicContact SD-CG1 3.73Å; M42-L216 PolarHBondContact N-O 3.38Å; M42-F217 HydrophobicContact CB-CD1 4.06Å; M42-F217 HydrophobicContact CB-CE1 4.21Å; M42-F217 CarbonylContact O-C 3.49Å; M42-F217 WeakPolarHBondContact O-CA 3.42Å; M42-F217 HydrophobicContact SD-CE1 4.07Å; M42-F217 HydrophobicContact SD-CZ 4.43Å; M42-I218 PolarHBondContact O-N 3.41Å; M42-I241 HydrophobicContact CE-CG2 4.28Å; M42-I241 HydrophobicContact SD-CG2 3.71Å; M42-L245 HydrophobicContact CE-CD1 4.03Å
43G92.6Very high94.9Very high16 Ų1631.8 Ų31.817%0.16520%0.204CC..  trans158161.6179.600000111.4K49 I218G43-K49 VanDerWaalsContact O-CE 3.29Å; G43-K49 WeakPolarHBondContact O-CE 3.4Å; G43-K49 PolarHBondContact O-NZ 2.82Å; G43-I218 VanDerWaalsContact CA-O 3.29Å; G43-I218 WeakPolarHBondContact CA-O 3.36Å
44E88Confident94.8Very high126 Ų12634.2 Ų34.259%0.58922%0.216SC*.  trans-67.7169.3-179.5-61.9-167.4164.800112.9G46 S47 K49E44-G46 PolarHBondContact O-N 3.02Å; E44-S47 VanDerWaalsContact O-CB 3.31Å; E44-S47 WeakPolarHBondContact O-CB 3.46Å; E44-S47 PolarHBondContact O-N 2.91Å; E44-S47 PolarHBondContact O-OG 3.19Å; E44-K49 PolarHBondContact O-NZ 2.81Å
45S87.4Confident94.7Very high125 Ų12531.1 Ų31.187%0.87420%0.2SC*.THydrogen-bonded Turntrans-57.9138.3170.1-168.40000110.3S47S45-S47 VanDerWaalsContact C-N 3.28Å; S45-S47 PolarHBondContact O-N 2.81Å
46G88.5Confident94.6Very high77 Ų7727.1 Ų27.179%0.79418%0.183SC*.THydrogen-bonded Turntrans79.5-3.6-178.100000116.2E44 G48E44-G46 PolarHBondContact O-N 3.02Å; G46-G48 PolarHBondContact O-N 3.02Å; G46-G48 VanDerWaalsContact O-N 3.1Å
47S91.6Very high94.5Very high7 Ų726.2 Ų26.25%0.04917%0.174CC..SBendtrans-66.2-9.1178.753.50000115.7E44 S45 K49 I218 G221E44-S47 VanDerWaalsContact O-CB 3.31Å; E44-S47 WeakPolarHBondContact O-CB 3.46Å; E44-S47 PolarHBondContact O-N 2.91Å; E44-S47 PolarHBondContact O-OG 3.19Å; S45-S47 VanDerWaalsContact C-N 3.28Å; S45-S47 PolarHBondContact O-N 2.81Å; S47-K49 PolarHBondContact OG-NZ 2.97Å; S47-I218 WeakPolarHBondContact O-CG2 3.4Å; S47-G221 WeakPolarHBondContact O-CA 3.41Å; S47-G221 PolarHBondContact O-N 2.93Å
48G93.1Very high94.3Very high6 Ų625.6 Ų25.66%0.06217%0.171CC..SBendtrans100.40.7-179.300000115.3G46 S50 T51 L52G46-G48 PolarHBondContact O-N 3.02Å; G46-G48 VanDerWaalsContact O-N 3.1Å; G48-S50 PolarHBondContact O-N 2.86Å; G48-T51 WeakPolarHBondContact O-CB 3.02Å; G48-T51 PolarHBondContact O-N 3.32Å; G48-T51 VanDerWaalsContact O-N 3.17Å; G48-L52 PolarHBondContact O-N 2.91Å
49K94.7Very high94Very high16 Ų1629.7 Ų29.77%0.0719%0.193CC..Hα-helixtrans-44.5-64.2176.3-77.1-168.6-37.1-67.50114.8I41 G43 E44 S47 T51 L52 L53 V202I41-K49 HydrophobicContact CG2-CD 4.5Å; I41-K49 HydrophobicContact CG2-CG 4.07Å; G43-K49 VanDerWaalsContact O-CE 3.29Å; G43-K49 WeakPolarHBondContact O-CE 3.4Å; G43-K49 PolarHBondContact O-NZ 2.82Å; E44-K49 PolarHBondContact O-NZ 2.81Å; S47-K49 PolarHBondContact OG-NZ 2.97Å; K49-T51 VanDerWaalsContact C-N 3.26Å; K49-T51 PolarHBondContact O-N 2.88Å; K49-L52 PolarHBondContact O-N 3.27Å; K49-L53 PolarHBondContact O-N 2.88Å; K49-V202 HydrophobicContact CB-CB 4.43Å; K49-V202 HydrophobicContact CB-CG1 3.47Å; K49-V202 VanDerWaalsContact CB-CG1 3.47Å; K49-V202 HydrophobicContact CD-CG1 3.98Å; K49-V202 HydrophobicContact CG-CG1 3.8Å
50S92.5Very high93.8Very high50 Ų5032 Ų3235%0.3521%0.205SC..Hα-helixtrans-67.4-29.3-178.7-490000111.9G48 L53 N54 D171G48-S50 PolarHBondContact O-N 2.86Å; S50-L53 PolarHBondContact O-N 2.82Å; S50-N54 WeakPolarHBondContact O-CB 3.31Å; S50-N54 PolarHBondContact O-N 2.83Å; S50-N54 PolarHBondContact O-ND2 2.91Å; S50-D171 PolarHBondContact OG-OD1 2.86Å; S50-D171 PolarHBondContact OG-OD2 3.39Å
51T95.2Very high93.5Very high23 Ų2338.2 Ų38.214%0.14123%0.232CC..Hα-helixtrans-61.1-50.4170.9-61.20000110.9K12 Y14 A25 L26 G48 K49 L53 N54 L55K12-T51 HydrophobicContact CB-CG2 3.95Å; K12-T51 HydrophobicContact CG-CG2 3.66Å; Y14-T51 HydrophobicContact CE2-CG2 3.86Å; Y14-T51 WeakPolarHBondContact OH-CG2 3.25Å; A25-T51 HydrophobicContact CB-CG2 4.07Å; L26-T51 HydrophobicContact CD1-CG2 3.94Å; L26-T51 HydrophobicContact CG-CG2 4.04Å; G48-T51 WeakPolarHBondContact O-CB 3.02Å; G48-T51 PolarHBondContact O-N 3.32Å; G48-T51 VanDerWaalsContact O-N 3.17Å; K49-T51 VanDerWaalsContact C-N 3.26Å; K49-T51 PolarHBondContact O-N 2.88Å; T51-L53 VanDerWaalsContact C-N 3.32Å; T51-L53 PolarHBondContact O-N 2.84Å; T51-N54 PolarHBondContact O-N 3.42Å; T51-L55 HydrophobicContact CG2-CD1 4.47Å; T51-L55 WeakPolarHBondContact O-CG 3.45Å; T51-L55 PolarHBondContact O-N 3.36Å
52L96.6Very high93.4Very high1 Ų139.2 Ų39.21%0.00524%0.239CC..Hα-helixtrans-59.1-44.9177.6177.460000111.3V7 L26 I29 I41 G48 K49 N54 L55 I56 I218V7-L52 HydrophobicContact CG1-CD1 4.19Å; L26-L52 HydrophobicContact CD1-CB 4.01Å; L26-L52 HydrophobicContact CD1-CD1 4.24Å; L26-L52 HydrophobicContact CD2-CB 4.19Å; I29-L52 HydrophobicContact CG2-CD1 4.18Å; I29-L52 HydrophobicContact CG2-CD2 4.07Å; I41-L52 HydrophobicContact CD1-CD2 3.9Å; G48-L52 PolarHBondContact O-N 2.91Å; K49-L52 PolarHBondContact O-N 3.27Å; L52-N54 VanDerWaalsContact C-N 3.34Å; L52-N54 PolarHBondContact O-N 3.13Å; L52-L55 PolarHBondContact O-N 3.43Å; L52-I56 HydrophobicContact CD1-CD1 4.07Å; L52-I56 HydrophobicContact CD1-CG1 4.46Å; L52-I56 HydrophobicContact CG-CD1 4.02Å; L52-I56 WeakPolarHBondContact O-CG1 3.39Å; L52-I56 PolarHBondContact O-N 2.93Å; L52-I56 VanDerWaalsContact O-N 3.1Å; L52-I218 HydrophobicContact CD2-CD1 3.62Å
53L96.1Very high93.4Very high3 Ų342 Ų422%0.01626%0.259CS..Hα-helixtrans-59.1-45.3176.2-164.181.5000111.6K49 S50 T51 L55 I56 A57 F92 L169 D171 V202K49-L53 PolarHBondContact O-N 2.88Å; S50-L53 PolarHBondContact O-N 2.82Å; T51-L53 VanDerWaalsContact C-N 3.32Å; T51-L53 PolarHBondContact O-N 2.84Å; L53-L55 VanDerWaalsContact C-N 3.3Å; L53-L55 PolarHBondContact O-N 2.89Å; L53-I56 PolarHBondContact O-N 3.3Å; L53-A57 VanDerWaalsContact O-CB 3.28Å; L53-A57 WeakPolarHBondContact O-CB 3.23Å; L53-A57 PolarHBondContact O-N 3.29Å; L53-F92 HydrophobicContact CD2-CE1 4.12Å; L53-F92 HydrophobicContact CG-CE1 4.38Å; L53-L169 HydrophobicContact CD1-CB 3.99Å; L53-L169 HydrophobicContact CD1-CD2 3.83Å; L53-L169 HydrophobicContact CD1-CG 4.39Å; L53-L169 HydrophobicContact CG-CB 4.47Å; L53-D171 HydrophobicContact CD2-CB 3.63Å; L53-V202 HydrophobicContact CB-CG2 3.93Å; L53-V202 HydrophobicContact CD1-CG2 3.67Å; L53-V202 HydrophobicContact CD2-CG2 3.76Å; L53-V202 HydrophobicContact CG-CG2 3.98Å
54N94.8Very high93.6Very high50 Ų5043.7 Ų43.727%0.26727%0.268SS..Hα-helixtrans-65.5-30179.7-74.3-20.3000113.5S50 T51 L52 A57 T58 L59 D60S50-N54 WeakPolarHBondContact O-CB 3.31Å; S50-N54 PolarHBondContact O-N 2.83Å; S50-N54 PolarHBondContact O-ND2 2.91Å; T51-N54 PolarHBondContact O-N 3.42Å; L52-N54 VanDerWaalsContact C-N 3.34Å; L52-N54 PolarHBondContact O-N 3.13Å; N54-A57 VanDerWaalsContact O-CB 3.32Å; N54-A57 WeakPolarHBondContact O-CB 3.29Å; N54-T58 PolarHBondContact O-N 2.86Å; N54-L59 HydrophobicContact CB-CB 4.38Å; N54-L59 PolarHBondContact O-N 3.3Å; N54-D60 PolarHBondContact O-N 3.18Å
55L95.9Very high94Very high3 Ų338.9 Ų38.92%0.01625%0.252CS..Hα-helixtrans-69.2-47.3172.6-65.1178000111.1I10 K12 L26 T51 L52 L53 A57 T58 D60 K61 P62 I67I10-L55 HydrophobicContact CG2-CD1 3.66Å; K12-L55 HydrophobicContact CB-CD1 4.15Å; K12-L55 HydrophobicContact CD-CD2 4.41Å; L26-L55 HydrophobicContact CD1-CD1 3.5Å; L26-L55 VanDerWaalsContact CD1-CD1 3.5Å; T51-L55 HydrophobicContact CG2-CD1 4.47Å; T51-L55 WeakPolarHBondContact O-CG 3.45Å; T51-L55 PolarHBondContact O-N 3.36Å; L52-L55 PolarHBondContact O-N 3.43Å; L53-L55 VanDerWaalsContact C-N 3.3Å; L53-L55 PolarHBondContact O-N 2.89Å; L55-A57 PolarHBondContact O-N 3.27Å; L55-T58 PolarHBondContact O-N 2.8Å; L55-D60 HydrophobicContact CD2-CB 3.99Å; L55-K61 WeakPolarHBondContact CD2-O 3.24Å; L55-P62 HydrophobicContact CD1-CB 4.41Å; L55-P62 HydrophobicContact CD2-CB 4.46Å; L55-I67 HydrophobicContact CB-CD1 3.75Å
56I96.6Very high94.4Very high1 Ų135.1 Ų35.11%0.00522%0.224CC..Hα-helixtrans-62-34.3175.1-61.7161.5000110.2L5 V7 L52 L53 T58 I67 L167 L169 L200L5-I56 HydrophobicContact CD1-CG2 3.83Å; L5-I56 HydrophobicContact CD2-CD1 3.87Å; L5-I56 HydrophobicContact CD2-CG1 4.25Å; L5-I56 HydrophobicContact CD2-CG2 4.01Å; V7-I56 HydrophobicContact CG2-CD1 4.37Å; V7-I56 HydrophobicContact CG2-CG1 4.4Å; L52-I56 HydrophobicContact CD1-CD1 4.07Å; L52-I56 HydrophobicContact CD1-CG1 4.46Å; L52-I56 HydrophobicContact CG-CD1 4.02Å; L52-I56 WeakPolarHBondContact O-CG1 3.39Å; L52-I56 PolarHBondContact O-N 2.93Å; L52-I56 VanDerWaalsContact O-N 3.1Å; L53-I56 PolarHBondContact O-N 3.3Å; I56-T58 PolarHBondContact O-N 2.94Å; I56-I67 HydrophobicContact CG1-CD1 4.23Å; I56-I67 HydrophobicContact CG1-CG2 4.48Å; I56-L167 HydrophobicContact CG2-CD2 3.94Å; I56-L169 HydrophobicContact CG2-CD1 3.99Å; I56-L169 HydrophobicContact CG2-CD2 4.16Å; I56-L200 HydrophobicContact CD1-CD2 3.6Å
57A94.7Very high94.9Very high0 Ų031.5 Ų31.50%019%0.186CC..THydrogen-bonded Turntrans-64.3-16175.600000114.7L53 N54 L55 L59 R86 F92L53-A57 VanDerWaalsContact O-CB 3.28Å; L53-A57 WeakPolarHBondContact O-CB 3.23Å; L53-A57 PolarHBondContact O-N 3.29Å; N54-A57 VanDerWaalsContact O-CB 3.32Å; N54-A57 WeakPolarHBondContact O-CB 3.29Å; L55-A57 PolarHBondContact O-N 3.27Å; A57-L59 HydrophobicContact CB-CB 4.03Å; A57-L59 HydrophobicContact CB-CD1 3.74Å; A57-L59 HydrophobicContact CB-CG 3.59Å; A57-L59 PolarHBondContact O-N 2.82Å; A57-R86 WeakPolarHBondContact O-CD 3.47Å; A57-R86 VanDerWaalsContact O-CG 3.31Å; A57-R86 WeakPolarHBondContact O-CG 3.28Å; A57-F92 HydrophobicContact CB-CE1 3.84Å; A57-F92 HydrophobicContact CB-CE2 3.78Å; A57-F92 HydrophobicContact CB-CZ 3.07Å
58T93.9Very high95.2Very high25 Ų2533 Ų3315%0.15319%0.194CC..THydrogen-bonded Turntrans58.122.9-164.174.40000113.7N54 L55 I56 D60 L74 I77 F85 R86N54-T58 PolarHBondContact O-N 2.86Å; L55-T58 PolarHBondContact O-N 2.8Å; I56-T58 PolarHBondContact O-N 2.94Å; T58-D60 VanDerWaalsContact C-N 3.35Å; T58-L74 HydrophobicContact CG2-CB 4.21Å; T58-L74 HydrophobicContact CG2-CD1 4.06Å; T58-I77 HydrophobicContact CG2-CD1 4.36Å; T58-F85 HydrophobicContact CG2-CD1 3.86Å; T58-F85 HydrophobicContact CG2-CE1 3.68Å; T58-R86 PolarHBondContact O-NH1 2.8Å; T58-R86 VanDerWaalsContact O-NH1 3.12Å; T58-R86 VanDerWaalsContact OG1-CG 3.28Å; T58-R86 WeakPolarHBondContact OG1-CG 3.32Å; T58-R86 PolarHBondContact OG1-NH1 3.3Å
59L91.8Very high95.4Very high89 Ų8933 Ų3347%0.46619%0.192SC..SBendtrans-82.9-19.8172.8-67.4174.9000111.6N54 A57N54-L59 HydrophobicContact CB-CB 4.38Å; N54-L59 PolarHBondContact O-N 3.3Å; A57-L59 HydrophobicContact CB-CB 4.03Å; A57-L59 HydrophobicContact CB-CD1 3.74Å; A57-L59 HydrophobicContact CB-CG 3.59Å; A57-L59 PolarHBondContact O-N 2.82Å
60D92.4Very high95.4Very high47 Ų4736.5 Ų36.525%0.25121%0.212SC..SBendtrans-141.4168173.4-163.9-2.6000109.3K12 Y14 N54 L55 T58K12-D60 WeakPolarHBondContact CE-OD2 3.18Å; K12-D60 IonicContact NZ-OD1 3.63Å; K12-D60 PolarHBondContact NZ-OD1 2.88Å; K12-D60 IonicContact NZ-OD2 3.88Å; K12-D60 PolarHBondContact NZ-OD2 3.23Å; Y14-D60 VanDerWaalsContact CE1-OD2 3.3Å; Y14-D60 WeakPolarHBondContact CE1-OD2 3.23Å; Y14-D60 PolarHBondContact OH-OD2 2.9Å; N54-D60 PolarHBondContact O-N 3.18Å; L55-D60 HydrophobicContact CD2-CB 3.99Å; T58-D60 VanDerWaalsContact C-N 3.35Å
61K92.8Very high95.5Very high131 Ų13137.2 Ų37.257%0.5723%0.227SC*.  trans-112.8141.8178.3-65.9-170.8-178.4-175.10111.8K12 L55K12-K61 WeakPolarHBondContact CD-O 3.47Å; K12-K61 PolarHBondContact NZ-O 3.1Å; L55-K61 WeakPolarHBondContact CD2-O 3.24Å
62P95.6Very high95.5Very high24 Ų2440.3 Ų40.316%0.15624%0.241CC..  trans-67.2153.4175.628.8-33.8000110.6I10 L55 N75I10-P62 HydrophobicContact CD1-CB 3.59Å; I10-P62 HydrophobicContact CD1-CG 3.91Å; I10-P62 HydrophobicContact CG2-CB 4.48Å; L55-P62 HydrophobicContact CD1-CB 4.41Å; L55-P62 HydrophobicContact CD2-CB 4.46Å; P62-N75 WeakPolarHBondContact CD-OD1 3.21Å; P62-N75 WeakPolarHBondContact CG-OD1 3.43Å
63S95.9Very high95.5Very high62 Ų6242.3 Ų42.343%0.43425%0.252SS..SBendtrans-77.5-31.9170.4-60.30000111.3K11 I13K11-S63 PolarHBondContact O-N 3.12Å; I13-S63 PolarHBondContact N-OG 3.19Å
64S96.6Very high95.5Very high51 Ų5142.8 Ų42.836%0.35725%0.254SS..EExtended strand (participates in β ladder)trans-158.1166.9169.869.80000110.4I10 K11I10-S64 WeakPolarHBondContact CA-O 3.48Å; K11-S64 WeakPolarHBondContact CB-OG 3.47Å; K11-S64 WeakPolarHBondContact CD-OG 3.2Å; K11-S64 WeakPolarHBondContact CG-OG 3.43Å; K11-S64 PolarHBondContact N-O 2.89Å; K11-S64 PolarHBondContact O-N 3.47Å
65G96.8Very high95.3Very high25 Ų2543.3 Ų43.326%0.25826%0.257SS..EExtended strand (participates in β ladder)trans90.8176.9-177.400000112.3E8 N9 I10 N75E8-G65 VanDerWaalsContact O-CA 3.26Å; E8-G65 WeakPolarHBondContact O-CA 3.46Å; N9-G65 WeakPolarHBondContact O-CA 3.4Å; I10-G65 VanDerWaalsContact CD1-C 3.48Å; G65-N75 PolarHBondContact O-ND2 3.23Å
66T97.1Very high95.1Very high46 Ų4647.7 Ų47.728%0.28228%0.284SS..EExtended strand (participates in β ladder)trans-128.8142.1-171.8-57.90000110.7E8 L68 D73E8-T66 PolarHBondContact N-O 3.38Å; E8-T66 PolarHBondContact O-N 3.25Å; T66-L68 HydrophobicContact CG2-CD2 4.02Å; T66-L68 HydrophobicContact CG2-CG 4.13Å; T66-D73 HydrophobicContact CG2-CB 4.44Å
67I97.9Very high94.9Very high1 Ų148.9 Ų48.91%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-120.9123.6169.8-50.7-177.6000107.3L5 K6 V7 I10 L55 I56 D73 L74L5-I67 HydrophobicContact CD1-CG2 3.69Å; K6-I67 CarbonylContact O-C 3.56Å; K6-I67 WeakPolarHBondContact O-CA 3.39Å; V7-I67 HydrophobicContact CG2-CG2 4.29Å; I10-I67 HydrophobicContact CD1-CD1 4.01Å; I10-I67 HydrophobicContact CD1-CG1 3.48Å; I10-I67 VanDerWaalsContact CD1-CG1 3.48Å; I10-I67 HydrophobicContact CG1-CD1 4.28Å; I10-I67 HydrophobicContact CG1-CG1 3.8Å; L55-I67 HydrophobicContact CB-CD1 3.75Å; I56-I67 HydrophobicContact CG1-CD1 4.23Å; I56-I67 HydrophobicContact CG1-CG2 4.48Å; I67-D73 WeakPolarHBondContact O-CA 3.16Å; I67-L74 HydrophobicContact CB-CB 4.32Å; I67-L74 HydrophobicContact CB-CD1 4Å; I67-L74 HydrophobicContact CB-CG 4.16Å; I67-L74 HydrophobicContact CG2-CD1 3.51Å; I67-L74 HydrophobicContact CG2-CG 4.03Å; I67-L74 WeakPolarHBondContact O-CG 3.39Å; I67-L74 PolarHBondContact O-N 3Å
68L97.7Very high94.8Very high39 Ų3955.4 Ų55.420%0.20432%0.319CS..EExtended strand (participates in β ladder)trans-110.1131.8175.8-55.6164.9000108.8L5 K6 T66 M72 D73L5-L68 WeakPolarHBondContact CA-O 3.37Å; K6-L68 HydrophobicContact CB-CB 4.09Å; K6-L68 HydrophobicContact CB-CD1 4.23Å; K6-L68 HydrophobicContact CD-CD1 3.89Å; K6-L68 PolarHBondContact N-O 2.89Å; K6-L68 PolarHBondContact O-N 3.36Å; T66-L68 HydrophobicContact CG2-CD2 4.02Å; T66-L68 HydrophobicContact CG2-CG 4.13Å; L68-M72 CarbonylContact C-O 3.47Å; L68-M72 VanDerWaalsContact CA-O 3.25Å; L68-M72 WeakPolarHBondContact CA-O 3.47Å; L68-D73 HydrophobicContact CD2-CB 3.8Å
69L97.4Very high94.6Very high5 Ų562.4 Ų62.43%0.02635%0.349CS..EExtended strand (participates in β ladder)trans-118.3118.8166.4-170.376.4000109.1L4 L5 G71 M72 L74 F85 H89 L90 L167L4-L69 HydrophobicContact CD1-CD1 4.29Å; L4-L69 HydrophobicContact CG-CD1 3.96Å; L4-L69 CarbonylContact O-C 3.55Å; L4-L69 WeakPolarHBondContact O-CA 3.35Å; L5-L69 HydrophobicContact CB-CD1 4.32Å; L5-L69 HydrophobicContact CD1-CD1 4.09Å; L69-G71 PolarHBondContact O-N 3.44Å; L69-M72 PolarHBondContact N-O 3.49Å; L69-M72 VanDerWaalsContact O-CB 3.27Å; L69-M72 WeakPolarHBondContact O-CB 3.4Å; L69-M72 PolarHBondContact O-N 3.23Å; L69-L74 HydrophobicContact CB-CD2 3.78Å; L69-L74 HydrophobicContact CB-CG 4.47Å; L69-F85 HydrophobicContact CB-CZ 4.34Å; L69-F85 HydrophobicContact CD2-CE1 4.49Å; L69-F85 HydrophobicContact CD2-CE2 4.2Å; L69-F85 HydrophobicContact CD2-CZ 3.57Å; L69-H89 HydrophobicContact CD2-CB 3.87Å; L69-L90 HydrophobicContact CD2-CD2 3.88Å; L69-L167 HydrophobicContact CD1-CB 4.33Å; L69-L167 HydrophobicContact CD1-CD2 4.1Å
70D95.3Very high94.6Very high90 Ų9066.3 Ų66.348%0.48136%0.363SS..THydrogen-bonded Turntrans49.240.9-173.4-153.138.9000112.1L4 K35 M72L4-D70 HydrophobicContact CD1-CB 4.16Å; L4-D70 PolarHBondContact O-N 3.19Å; K35-D70 WeakPolarHBondContact CE-OD1 3.39Å; K35-D70 IonicContact NZ-OD1 3.65Å; K35-D70 PolarHBondContact NZ-OD1 3.26Å; K35-D70 IonicContact NZ-OD2 3.6Å; D70-M72 VanDerWaalsContact C-N 3.26Å; D70-M72 PolarHBondContact O-N 2.75Å
71G94.7Very high94.7Very high66 Ų6667.9 Ų67.968%0.6837%0.371SS*.THydrogen-bonded Turntrans78.6-5.4-176.600000115.8L69L69-G71 PolarHBondContact O-N 3.44Å
72M95.1Very high94.7Very high88 Ų8862.2 Ų62.243%0.43335%0.349SS..EExtended strand (participates in β ladder)trans-84121.8175.5-175.7-175.1-62.800111.4L68 L69 D70 L74 I77 F85L68-M72 CarbonylContact C-O 3.47Å; L68-M72 VanDerWaalsContact CA-O 3.25Å; L68-M72 WeakPolarHBondContact CA-O 3.47Å; L69-M72 PolarHBondContact N-O 3.49Å; L69-M72 VanDerWaalsContact O-CB 3.27Å; L69-M72 WeakPolarHBondContact O-CB 3.4Å; L69-M72 PolarHBondContact O-N 3.23Å; D70-M72 VanDerWaalsContact C-N 3.26Å; D70-M72 PolarHBondContact O-N 2.75Å; M72-L74 PolarHBondContact O-N 3.47Å; M72-I77 HydrophobicContact SD-CD1 4.22Å; M72-I77 HydrophobicContact SD-CG1 4.26Å; M72-F85 HydrophobicContact SD-CD2 4.07Å; M72-F85 HydrophobicContact SD-CE2 3.91Å
73D96.2Very high94.6Very high43 Ų4364 Ų6423%0.2337%0.365CS..EExtended strand (participates in β ladder)trans-70.3113.1172.4-176.3-6.2000111.7T66 I67 L68 N75 T76T66-D73 HydrophobicContact CG2-CB 4.44Å; I67-D73 WeakPolarHBondContact O-CA 3.16Å; L68-D73 HydrophobicContact CD2-CB 3.8Å; D73-N75 PolarHBondContact O-N 3.34Å; D73-N75 VanDerWaalsContact OD1-CB 3.27Å; D73-N75 WeakPolarHBondContact OD1-CB 3.1Å; D73-N75 PolarHBondContact OD1-N 3.43Å; D73-T76 HydrophobicContact CB-CG2 3.83Å; D73-T76 PolarHBondContact O-N 3.43Å; D73-T76 PolarHBondContact O-OG1 3.2Å
74L95.7Very high94.5Very high13 Ų1362.5 Ų62.57%0.06836%0.357CS..G310 helixtrans-63.4-26.6-178.5-56.7-166.1000112.7T58 I67 L69 M72 T76 I77 F85T58-L74 HydrophobicContact CG2-CB 4.21Å; T58-L74 HydrophobicContact CG2-CD1 4.06Å; I67-L74 HydrophobicContact CB-CB 4.32Å; I67-L74 HydrophobicContact CB-CD1 4Å; I67-L74 HydrophobicContact CB-CG 4.16Å; I67-L74 HydrophobicContact CG2-CD1 3.51Å; I67-L74 HydrophobicContact CG2-CG 4.03Å; I67-L74 WeakPolarHBondContact O-CG 3.39Å; I67-L74 PolarHBondContact O-N 3Å; L69-L74 HydrophobicContact CB-CD2 3.78Å; L69-L74 HydrophobicContact CB-CG 4.47Å; M72-L74 PolarHBondContact O-N 3.47Å; L74-T76 PolarHBondContact O-N 3.31Å; L74-I77 HydrophobicContact CB-CD1 4.36Å; L74-I77 HydrophobicContact CD2-CD1 3.79Å; L74-I77 WeakPolarHBondContact O-CB 3.5Å; L74-I77 PolarHBondContact O-N 2.71Å; L74-F85 HydrophobicContact CD2-CE1 3.8Å; L74-F85 HydrophobicContact CD2-CE2 3.93Å; L74-F85 HydrophobicContact CD2-CZ 3.26Å
75N90.6Very high94.5Very high60 Ų6060.8 Ų60.832%0.32134%0.343SS..G310 helixtrans-68.8-22.4177.3-66.9-33.2000112.5P62 G65 D73 I77P62-N75 WeakPolarHBondContact CD-OD1 3.21Å; P62-N75 WeakPolarHBondContact CG-OD1 3.43Å; G65-N75 PolarHBondContact O-ND2 3.23Å; D73-N75 PolarHBondContact O-N 3.34Å; D73-N75 VanDerWaalsContact OD1-CB 3.27Å; D73-N75 WeakPolarHBondContact OD1-CB 3.1Å; D73-N75 PolarHBondContact OD1-N 3.43Å; N75-I77 VanDerWaalsContact C-N 3.33Å
76T92.6Very high94.5Very high96 Ų9662.9 Ų62.959%0.58934%0.343SS*.G310 helixtrans-84.4-10.1-179.671.90000113.1D73 L74 K78D73-T76 HydrophobicContact CB-CG2 3.83Å; D73-T76 PolarHBondContact O-N 3.43Å; D73-T76 PolarHBondContact O-OG1 3.2Å; L74-T76 PolarHBondContact O-N 3.31Å; T76-K78 PolarHBondContact O-N 2.68Å
77I92.7Very high94.4Very high25 Ų2563.7 Ų63.713%0.12834%0.341CS..  trans-67.5118.6179.3-60.3172.1000109.1T58 M72 L74 N75 N81 A82 F85T58-I77 HydrophobicContact CG2-CD1 4.36Å; M72-I77 HydrophobicContact SD-CD1 4.22Å; M72-I77 HydrophobicContact SD-CG1 4.26Å; L74-I77 HydrophobicContact CB-CD1 4.36Å; L74-I77 HydrophobicContact CD2-CD1 3.79Å; L74-I77 WeakPolarHBondContact O-CB 3.5Å; L74-I77 PolarHBondContact O-N 2.71Å; N75-I77 VanDerWaalsContact C-N 3.33Å; I77-N81 HydrophobicContact CG2-CB 4.26Å; I77-A82 HydrophobicContact CG2-CB 4.3Å; I77-F85 HydrophobicContact CD1-CB 4.19Å; I77-F85 HydrophobicContact CD1-CD1 3.68Å; I77-F85 HydrophobicContact CD1-CD2 3.51Å; I77-F85 HydrophobicContact CD1-CE1 3.89Å; I77-F85 HydrophobicContact CD1-CE2 3.73Å; I77-F85 HydrophobicContact CD1-CG 3.5Å; I77-F85 VanDerWaalsContact CD1-CG 3.5Å; I77-F85 HydrophobicContact CD1-CZ 3.92Å; I77-F85 HydrophobicContact CG2-CB 4.37Å
78K91.9Very high94.2Very high137 Ų13767 Ų6760%0.59636%0.359SS*.  trans-65.2142.4175-63.2-178.2-179178.70109.6T76 K80 N81 A82T76-K78 PolarHBondContact O-N 2.68Å; K78-K80 HydrophobicContact CB-CG 4.16Å; K78-K80 PolarHBondContact O-N 3.33Å; K78-K80 VanDerWaalsContact O-N 3.15Å; K78-N81 WeakPolarHBondContact O-CA 3.39Å; K78-N81 WeakPolarHBondContact O-CB 3.3Å; K78-N81 PolarHBondContact O-N 3.07Å; K78-A82 PolarHBondContact O-N 3.25Å; K78-A82 VanDerWaalsContact O-N 3.16Å
79E89.8Confident94.2Very high172 Ų17267.8 Ų67.880%0.80436%0.362SS*.Hα-helixtrans-51.9-42.6-178.7-172.5175.3-178.900112.9N81 A82E79-N81 PolarHBondContact O-N 2.86Å; E79-N81 VanDerWaalsContact O-N 3.11Å; E79-A82 WeakPolarHBondContact O-CB 3.28Å; E79-A82 PolarHBondContact O-N 2.9Å; E79-A82 VanDerWaalsContact O-N 3.1Å
80K92.7Very high94.2Very high171 Ų17168 Ų6874%0.74336%0.363SS*.Hα-helixtrans-60.3-20.9175.767.1172.6-172.3175.80115K78K78-K80 HydrophobicContact CB-CG 4.16Å; K78-K80 PolarHBondContact O-N 3.33Å; K78-K80 VanDerWaalsContact O-N 3.15Å
81N93.5Very high94.3Very high80 Ų8063.8 Ų63.843%0.42834%0.34SS..Hα-helixtrans-102.6-12.5179.6-66.2-8.4000112.4I77 K78 E79 A83 A84 F85I77-N81 HydrophobicContact CG2-CB 4.26Å; K78-N81 WeakPolarHBondContact O-CA 3.39Å; K78-N81 WeakPolarHBondContact O-CB 3.3Å; K78-N81 PolarHBondContact O-N 3.07Å; E79-N81 PolarHBondContact O-N 2.86Å; E79-N81 VanDerWaalsContact O-N 3.11Å; N81-A83 VanDerWaalsContact C-N 3.28Å; N81-A83 PolarHBondContact O-N 2.96Å; N81-A84 PolarHBondContact O-N 3.4Å; N81-A84 VanDerWaalsContact O-N 3.08Å; N81-F85 PolarHBondContact O-N 2.81Å
82A92.9Very high94.4Very high13 Ų1362 Ų6211%0.10731%0.314CS..Hα-helixtrans-60.4-37.9-173.400000112.5I77 K78 E79 F85 R86I77-A82 HydrophobicContact CG2-CB 4.3Å; K78-A82 PolarHBondContact O-N 3.25Å; K78-A82 VanDerWaalsContact O-N 3.16Å; E79-A82 WeakPolarHBondContact O-CB 3.28Å; E79-A82 PolarHBondContact O-N 2.9Å; E79-A82 VanDerWaalsContact O-N 3.1Å; A82-F85 PolarHBondContact O-N 3.48Å; A82-R86 WeakPolarHBondContact O-CG 3.39Å; A82-R86 PolarHBondContact O-N 3.39Å
83A93.3Very high94.5Very high60 Ų6057.8 Ų57.850%0.49629%0.293SS..Hα-helixtrans-66.1-39.7176.100000112.8N81 R87N81-A83 VanDerWaalsContact C-N 3.28Å; N81-A83 PolarHBondContact O-N 2.96Å; A83-R87 WeakPolarHBondContact O-CB 3.45Å; A83-R87 PolarHBondContact O-N 3.12Å; A83-R87 VanDerWaalsContact O-N 3.12Å
84A94.4Very high94.4Very high32 Ų3258.2 Ų58.226%0.26429%0.293SS..Hα-helixtrans-66.4-46.517600000110.7N81 R86 R87 D88N81-A84 PolarHBondContact O-N 3.4Å; N81-A84 VanDerWaalsContact O-N 3.08Å; A84-R86 PolarHBondContact O-N 3.09Å; A84-R87 PolarHBondContact O-N 3.36Å; A84-D88 WeakPolarHBondContact O-CB 3.42Å; A84-D88 PolarHBondContact O-N 3.29Å
85F95.9Very high94.4Very high14 Ų1461.1 Ų61.16%0.06131%0.306CS..Hα-helixtrans-54.9-50.8175.9174.3-95.4000112.1T58 L69 M72 L74 I77 N81 A82 R87 D88 H89 L90T58-F85 HydrophobicContact CG2-CD1 3.86Å; T58-F85 HydrophobicContact CG2-CE1 3.68Å; L69-F85 HydrophobicContact CB-CZ 4.34Å; L69-F85 HydrophobicContact CD2-CE1 4.49Å; L69-F85 HydrophobicContact CD2-CE2 4.2Å; L69-F85 HydrophobicContact CD2-CZ 3.57Å; M72-F85 HydrophobicContact SD-CD2 4.07Å; M72-F85 HydrophobicContact SD-CE2 3.91Å; L74-F85 HydrophobicContact CD2-CE1 3.8Å; L74-F85 HydrophobicContact CD2-CE2 3.93Å; L74-F85 HydrophobicContact CD2-CZ 3.26Å; I77-F85 HydrophobicContact CD1-CB 4.19Å; I77-F85 HydrophobicContact CD1-CD1 3.68Å; I77-F85 HydrophobicContact CD1-CD2 3.51Å; I77-F85 HydrophobicContact CD1-CE1 3.89Å; I77-F85 HydrophobicContact CD1-CE2 3.73Å; I77-F85 HydrophobicContact CD1-CG 3.5Å; I77-F85 VanDerWaalsContact CD1-CG 3.5Å; I77-F85 HydrophobicContact CD1-CZ 3.92Å; I77-F85 HydrophobicContact CG2-CB 4.37Å; N81-F85 PolarHBondContact O-N 2.81Å; A82-F85 PolarHBondContact O-N 3.48Å; F85-R87 VanDerWaalsContact C-N 3.32Å; F85-R87 PolarHBondContact O-N 3.37Å; F85-D88 PolarHBondContact O-N 2.91Å; F85-H89 HydrophobicContact CD2-CB 4.47Å; F85-H89 AromaticContact CD2-CD2 3.32Å; F85-H89 WeakPolarHBondContact CD2-CD2 3.29Å; F85-H89 HydrophobicContact CE2-CB 4.1Å; F85-H89 AromaticContact CE2-CD2 3.54Å; F85-H89 AromaticContact CE2-CG 3.85Å; F85-H89 HydrophobicContact CZ-CB 4.18Å; F85-H89 WeakPolarHBondContact O-CB 3.4Å; F85-H89 PolarHBondContact O-CD2 2.92Å; F85-H89 PolarHBondContact O-N 3.07Å; F85-L90 HydrophobicContact CE1-CD1 3.97Å; F85-L90 HydrophobicContact CE1-CG 4.24Å
86R96.2Very high94.5Very high69 Ų6963.9 Ų63.926%0.2632%0.321SS..Hα-helixtrans-57.5-46.4177.9-74.9-170-67.2-87.86.4111.9A57 T58 A82 A84 D88 L90A57-R86 WeakPolarHBondContact O-CD 3.47Å; A57-R86 VanDerWaalsContact O-CG 3.31Å; A57-R86 WeakPolarHBondContact O-CG 3.28Å; T58-R86 PolarHBondContact O-NH1 2.8Å; T58-R86 VanDerWaalsContact O-NH1 3.12Å; T58-R86 VanDerWaalsContact OG1-CG 3.28Å; T58-R86 WeakPolarHBondContact OG1-CG 3.32Å; T58-R86 PolarHBondContact OG1-NH1 3.3Å; A82-R86 WeakPolarHBondContact O-CG 3.39Å; A82-R86 PolarHBondContact O-N 3.39Å; A84-R86 PolarHBondContact O-N 3.09Å; R86-D88 VanDerWaalsContact C-N 3.29Å; R86-D88 PolarHBondContact O-N 3.17Å; R86-L90 HydrophobicContact CG-CD1 4.31Å; R86-L90 CarbonylContact O-C 3.59Å; R86-L90 WeakPolarHBondContact O-CA 3.34Å; R86-L90 WeakPolarHBondContact O-CB 3.26Å; R86-L90 PolarHBondContact O-N 3.16Å
87R95.2Very high94.6Very high64 Ų6460.6 Ų60.624%0.24230%0.299CS..Hα-helixtrans-61.9-39-179.2-178.8-167.964-131-16.5112.2A83 A84 F85 P112 L115 T163A83-R87 WeakPolarHBondContact O-CB 3.45Å; A83-R87 PolarHBondContact O-N 3.12Å; A83-R87 VanDerWaalsContact O-N 3.12Å; A84-R87 PolarHBondContact O-N 3.36Å; F85-R87 VanDerWaalsContact C-N 3.32Å; F85-R87 PolarHBondContact O-N 3.37Å; R87-P112 WeakPolarHBondContact CD-O 3.39Å; R87-P112 HydrophobicContact CG-CB 4.47Å; R87-L115 PolarHBondContact NH1-O 3.37Å; R87-T163 PolarHBondContact O-OG1 2.93Å
88D95Very high94.7Very high71 Ų7163.5 Ų63.538%0.3832%0.315SS..Hα-helixtrans-89.3-26.9-169.8-57.8-18.7000112.2A84 F85 R86A84-D88 WeakPolarHBondContact O-CB 3.42Å; A84-D88 PolarHBondContact O-N 3.29Å; F85-D88 PolarHBondContact O-N 2.91Å; R86-D88 VanDerWaalsContact C-N 3.29Å; R86-D88 PolarHBondContact O-N 3.17Å
89H97.1Very high95Very high55 Ų5558.1 Ų58.126%0.25529%0.292SS..Hα-helixtrans-116.3-21.9-174-62.6-77.6000114.9L69 F85 P165 D166 L167L69-H89 HydrophobicContact CD2-CB 3.87Å; F85-H89 HydrophobicContact CD2-CB 4.47Å; F85-H89 AromaticContact CD2-CD2 3.32Å; F85-H89 WeakPolarHBondContact CD2-CD2 3.29Å; F85-H89 HydrophobicContact CE2-CB 4.1Å; F85-H89 AromaticContact CE2-CD2 3.54Å; F85-H89 AromaticContact CE2-CG 3.85Å; F85-H89 HydrophobicContact CZ-CB 4.18Å; F85-H89 WeakPolarHBondContact O-CB 3.4Å; F85-H89 PolarHBondContact O-CD2 2.92Å; F85-H89 PolarHBondContact O-N 3.07Å; H89-P165 WeakPolarHBondContact O-CB 3.02Å; H89-D166 IonicContact CE1-OD2 2.75Å; H89-D166 IonicContact CG-OD2 2.71Å; H89-D166 IonicContact ND1-OD2 3.75Å; H89-D166 PolarHBondContact ND1-OD2 2.84Å; H89-D166 PolarHBondContact O-N 2.77Å; H89-L167 PolarHBondContact O-N 3.39Å
90L97.8Very high95.3Very high10 Ų1053.2 Ų53.25%0.05227%0.271CS..EExtended strand (participates in β ladder)trans-123131.6-169.7-55.2-177.6000112.5L69 F85 R86 F92 P165 L167 L169L69-L90 HydrophobicContact CD2-CD2 3.88Å; F85-L90 HydrophobicContact CE1-CD1 3.97Å; F85-L90 HydrophobicContact CE1-CG 4.24Å; R86-L90 HydrophobicContact CG-CD1 4.31Å; R86-L90 CarbonylContact O-C 3.59Å; R86-L90 WeakPolarHBondContact O-CA 3.34Å; R86-L90 WeakPolarHBondContact O-CB 3.26Å; R86-L90 PolarHBondContact O-N 3.16Å; L90-F92 HydrophobicContact CB-CD2 4.27Å; L90-F92 HydrophobicContact CB-CE2 3.94Å; L90-F92 HydrophobicContact CD1-CE2 4Å; L90-P165 VanDerWaalsContact C-CB 3.47Å; L90-L167 WeakPolarHBondContact CA-O 3.47Å; L90-L167 HydrophobicContact CD2-CB 3.98Å; L90-L167 HydrophobicContact CD2-CD2 4.45Å; L90-L169 HydrophobicContact CD1-CD1 4.15Å; L90-L169 HydrophobicContact CD2-CD1 4.13Å
91G97.7Very high95.5Very high1 Ų149.6 Ų49.61%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-100.1139.6165.600000110A160 L167 L169G91-A160 VanDerWaalsContact CA-O 3.23Å; G91-A160 WeakPolarHBondContact CA-O 3.41Å; G91-L167 PolarHBondContact N-O 3.35Å; G91-L169 PolarHBondContact O-N 2.82Å
92F96.7Very high95.6Very high27 Ų2751.4 Ų51.412%0.11827%0.274CS..EExtended strand (participates in β ladder)trans-125.3126.1179.1-92.3-84.5000113.4L53 A57 L90 F94 A160 L169L53-F92 HydrophobicContact CD2-CE1 4.12Å; L53-F92 HydrophobicContact CG-CE1 4.38Å; A57-F92 HydrophobicContact CB-CE1 3.84Å; A57-F92 HydrophobicContact CB-CE2 3.78Å; A57-F92 HydrophobicContact CB-CZ 3.07Å; L90-F92 HydrophobicContact CB-CD2 4.27Å; L90-F92 HydrophobicContact CB-CE2 3.94Å; L90-F92 HydrophobicContact CD1-CE2 4Å; F92-F94 HydrophobicContact CB-CE2 3.75Å; F92-F94 HydrophobicContact CB-CZ 3.87Å; F92-F94 HydrophobicContact CD1-CE1 4.02Å; F92-F94 AromaticContact CD1-CZ 3.84Å; F92-F94 HydrophobicContact CD1-CZ 3.84Å; F92-F94 HydrophobicContact CG-CE2 4.44Å; F92-F94 HydrophobicContact CG-CZ 4.05Å; F92-A160 WeakPolarHBondContact O-CB 3.46Å; F92-L169 WeakPolarHBondContact CA-O 3.24Å; F92-L169 HydrophobicContact CD1-CB 3.96Å; F92-L169 HydrophobicContact CE1-CB 3.55Å; F92-L169 HydrophobicContact CE1-CD1 3.92Å; F92-L169 HydrophobicContact CE1-CG 4.34Å; F92-L169 HydrophobicContact CE2-CB 4.2Å; F92-L169 HydrophobicContact CE2-CD1 3.56Å; F92-L169 HydrophobicContact CE2-CG 4.37Å; F92-L169 HydrophobicContact CG-CB 4.41Å; F92-L169 HydrophobicContact CZ-CB 3.65Å; F92-L169 HydrophobicContact CZ-CD1 3.12Å; F92-L169 HydrophobicContact CZ-CG 3.95Å
93V97.3Very high95.9Very high0 Ų054.2 Ų54.20%028%0.284CS..EExtended strand (participates in β ladder)trans-118.1121.2171.1-176.60000108.4V157 A160 L168 L169 A170 D171 P173 F189V93-V157 HydrophobicContact CG1-CG2 4.14Å; V93-V157 HydrophobicContact CG2-CG2 3.96Å; V93-A160 HydrophobicContact CG2-CB 3.7Å; V93-L168 HydrophobicContact CG2-CD1 4Å; V93-L169 PolarHBondContact N-O 3.17Å; V93-A170 HydrophobicContact CB-CB 4.19Å; V93-A170 CarbonylContact O-C 3.58Å; V93-A170 WeakPolarHBondContact O-CA 3.43Å; V93-D171 PolarHBondContact O-N 3.4Å; V93-P173 HydrophobicContact CG1-CB 3.93Å; V93-F189 HydrophobicContact CB-CZ 4.4Å; V93-F189 HydrophobicContact CG1-CZ 4.33Å; V93-F189 HydrophobicContact CG2-CZ 4.25Å
94F94.5Very high96.1Very high52 Ų5251.6 Ų51.623%0.22826%0.262CS..  trans-105.8158.3-179-59.2-82.8000110.7F92 F97 N98 Q153 D171F92-F94 HydrophobicContact CB-CE2 3.75Å; F92-F94 HydrophobicContact CB-CZ 3.87Å; F92-F94 HydrophobicContact CD1-CE1 4.02Å; F92-F94 AromaticContact CD1-CZ 3.84Å; F92-F94 HydrophobicContact CD1-CZ 3.84Å; F92-F94 HydrophobicContact CG-CE2 4.44Å; F92-F94 HydrophobicContact CG-CZ 4.05Å; F94-F97 PolarHBondContact O-N 2.88Å; F94-N98 HydrophobicContact CD2-CB 3.92Å; F94-N98 VanDerWaalsContact CD2-ND2 3.25Å; F94-N98 WeakPolarHBondContact CD2-ND2 3.2Å; F94-N98 HydrophobicContact CG-CB 4.49Å; F94-N98 WeakPolarHBondContact CG-ND2 3.42Å; F94-Q153 PolarHBondContact O-NE2 2.88Å; F94-Q153 PolarHBondContact O-OE1 3.4Å; F94-D171 CarbonylContact C-O 3.46Å
95Q93.9Very high96.3Very high74 Ų7450 Ų5035%0.34625%0.249SC..THydrogen-bonded Turntrans-58.4-45.7172.9-174.8174.3-14.700112.4F97 D171 E172 A176Q95-F97 PolarHBondContact O-N 2.85Å; Q95-D171 PolarHBondContact N-O 3.44Å; Q95-E172 HydrophobicContact CB-CB 4.12Å; Q95-E172 HydrophobicContact CG-CB 4.28Å; Q95-A176 HydrophobicContact CG-CB 4.31Å
96D93.6Very high96.4Very high118 Ų11851.6 Ų51.663%0.63126%0.256SS*.THydrogen-bonded Turntrans-85.816.5-177-66.6-33.7000114.2N98D96-N98 PolarHBondContact O-N 2.81Å
97F94.7Very high96.5Very high28 Ų2851.4 Ų51.412%0.12326%0.26CS..  trans64.5-36.6-179.1-32.8-65000115.2F94 Q95 L99 G149 K152 Q153 A156 R159 A176 L177F94-F97 PolarHBondContact O-N 2.88Å; Q95-F97 PolarHBondContact O-N 2.85Å; F97-L99 VanDerWaalsContact C-N 3.29Å; F97-L99 HydrophobicContact CB-CG 4.14Å; F97-L99 PolarHBondContact O-N 2.83Å; F97-G149 WeakPolarHBondContact CE1-O 3.47Å; F97-K152 HydrophobicContact CB-CB 4.14Å; F97-K152 HydrophobicContact CD1-CB 4.02Å; F97-K152 HydrophobicContact CD2-CB 3.9Å; F97-K152 HydrophobicContact CD2-CD 3.84Å; F97-K152 HydrophobicContact CE1-CB 4.5Å; F97-K152 HydrophobicContact CE2-CB 4.35Å; F97-K152 HydrophobicContact CE2-CD 4.1Å; F97-K152 HydrophobicContact CG-CB 3.72Å; F97-K152 HydrophobicContact CG-CD 4.49Å; F97-Q153 HydrophobicContact CD1-CB 3.69Å; F97-Q153 HydrophobicContact CD1-CG 4.21Å; F97-Q153 VanDerWaalsContact CD1-OE1 3.26Å; F97-Q153 HydrophobicContact CE1-CB 3.75Å; F97-Q153 HydrophobicContact CE1-CG 4.32Å; F97-A156 HydrophobicContact CB-CB 4.5Å; F97-R159 PolarHBondContact O-NH2 3.32Å; F97-A176 HydrophobicContact CE1-CB 4.28Å; F97-A176 HydrophobicContact CE2-CB 4.5Å; F97-A176 HydrophobicContact CZ-CB 3.77Å; F97-L177 HydrophobicContact CE1-CD2 4Å; F97-L177 HydrophobicContact CZ-CD2 4.22Å
98N95.1Very high96.7Very high86 Ų8648.3 Ų48.346%0.4625%0.248SC..  trans49.243.5-177.9-73.1-18.2000113.3F94 D96 R159F94-N98 HydrophobicContact CD2-CB 3.92Å; F94-N98 VanDerWaalsContact CD2-ND2 3.25Å; F94-N98 WeakPolarHBondContact CD2-ND2 3.2Å; F94-N98 HydrophobicContact CG-CB 4.49Å; F94-N98 WeakPolarHBondContact CG-ND2 3.42Å; D96-N98 PolarHBondContact O-N 2.81Å; N98-R159 PolarHBondContact O-NH1 3.47Å; N98-R159 PolarHBondContact O-NH2 2.95Å
99L97.3Very high96.8Very high23 Ų2345 Ų4512%0.1223%0.23CC..  trans-83.9149.7175.2-58.6-177.6000110.8F97 N108 P144 K152 V155 A156F97-L99 VanDerWaalsContact C-N 3.29Å; F97-L99 HydrophobicContact CB-CG 4.14Å; F97-L99 PolarHBondContact O-N 2.83Å; L99-N108 HydrophobicContact CD2-CB 4.4Å; L99-P144 HydrophobicContact CB-CB 4.15Å; L99-P144 HydrophobicContact CB-CG 3.83Å; L99-P144 HydrophobicContact CD1-CB 4.2Å; L99-P144 HydrophobicContact CD1-CG 4.19Å; L99-K152 HydrophobicContact CD1-CB 3.95Å; L99-K152 HydrophobicContact CD1-CG 4.19Å; L99-V155 HydrophobicContact CD1-CB 4Å; L99-V155 HydrophobicContact CD1-CG1 3.89Å; L99-V155 HydrophobicContact CD2-CB 4.43Å; L99-V155 HydrophobicContact CD2-CG1 3.85Å; L99-A156 HydrophobicContact CD2-CB 4.27Å
100L97.7Very high96.9Very high70 Ų7043 Ų4337%0.36622%0.221SC..  trans-83.9112173.6-61.5176.8000109.1T102 F103 N108 L111 P144L100-T102 PolarHBondContact O-N 2.74Å; L100-F103 HydrophobicContact CB-CB 3.96Å; L100-F103 HydrophobicContact CB-CD1 4.11Å; L100-F103 HydrophobicContact CB-CG 3.97Å; L100-F103 HydrophobicContact CD1-CD1 4.18Å; L100-F103 HydrophobicContact CD1-CD2 3.91Å; L100-F103 HydrophobicContact CD1-CE1 4.21Å; L100-F103 HydrophobicContact CD1-CE2 3.95Å; L100-F103 HydrophobicContact CD1-CG 4.06Å; L100-F103 HydrophobicContact CD1-CZ 4.1Å; L100-F103 PolarHBondContact O-N 2.85Å; L100-F103 VanDerWaalsContact O-N 3.08Å; L100-N108 PolarHBondContact N-OD1 3.13Å; L100-N108 PolarHBondContact O-ND2 2.76Å; L100-L111 HydrophobicContact CD1-CD2 3.83Å; L100-P144 WeakPolarHBondContact O-CG 3.35Å
101D95.5Very high96.8Very high95 Ų9544.7 Ų44.751%0.50823%0.23SC..THydrogen-bonded Turntrans-64.5-23.8-176.3-72.1-46.3000113.9F103 P144D101-F103 VanDerWaalsContact C-N 3.27Å; D101-P144 WeakPolarHBondContact OD1-CB 3.32Å
102T96.7Very high96.8Very high117 Ų11745.7 Ų45.772%0.71824%0.237SC*.THydrogen-bonded Turntrans-82.8-4177.452.60000113.4L100L100-T102 PolarHBondContact O-N 2.74Å
103F97.9Very high96.8Very high73 Ų7344.7 Ų44.732%0.3223%0.232SC..SBendtrans-111.1145-176.2-81.641.6000109.3L100 D101 D107 N108 L111 Y143 P144L100-F103 HydrophobicContact CB-CB 3.96Å; L100-F103 HydrophobicContact CB-CD1 4.11Å; L100-F103 HydrophobicContact CB-CG 3.97Å; L100-F103 HydrophobicContact CD1-CD1 4.18Å; L100-F103 HydrophobicContact CD1-CD2 3.91Å; L100-F103 HydrophobicContact CD1-CE1 4.21Å; L100-F103 HydrophobicContact CD1-CE2 3.95Å; L100-F103 HydrophobicContact CD1-CG 4.06Å; L100-F103 HydrophobicContact CD1-CZ 4.1Å; L100-F103 PolarHBondContact O-N 2.85Å; L100-F103 VanDerWaalsContact O-N 3.08Å; D101-F103 VanDerWaalsContact C-N 3.27Å; F103-D107 HydrophobicContact CB-CB 3.95Å; F103-D107 HydrophobicContact CD2-CB 3.64Å; F103-D107 HydrophobicContact CG-CB 4.11Å; F103-N108 VanDerWaalsContact CB-ND2 3.33Å; F103-N108 WeakPolarHBondContact CB-ND2 3.29Å; F103-N108 PolarHBondContact O-ND2 2.74Å; F103-L111 HydrophobicContact CE2-CD1 4.29Å; F103-Y143 WeakPolarHBondContact O-CD1 3.27Å; F103-P144 WeakPolarHBondContact O-CD 3.44Å
104S98.4Very high96.7Very high4 Ų448.6 Ų48.63%0.02826%0.256CS..  trans-64.7167.3169.769.90000110.9K106 D107 N108 K142S104-K106 VanDerWaalsContact C-N 3.26Å; S104-K106 PolarHBondContact O-N 3.06Å; S104-D107 WeakPolarHBondContact CB-OD2 3.2Å; S104-D107 PolarHBondContact N-OD2 3.17Å; S104-D107 PolarHBondContact O-N 3.01Å; S104-D107 PolarHBondContact OG-N 3.15Å; S104-D107 VanDerWaalsContact OG-N 3.11Å; S104-D107 PolarHBondContact OG-OD2 3.09Å; S104-N108 WeakPolarHBondContact O-CB 3.45Å; S104-N108 PolarHBondContact O-N 2.93Å; S104-N108 PolarHBondContact O-ND2 2.94Å; S104-K142 CarbonylContact C-O 3.58Å; S104-K142 WeakPolarHBondContact CA-O 3.41Å
105V98.6Very high96.7Very high0 Ų051.1 Ų51.10%027%0.272CS..Hα-helixtrans-56.1-45.1170.9165.90000110.5D107 N108 I109 L139 L140 K142 L147 V155V105-D107 VanDerWaalsContact C-N 3.32Å; V105-D107 PolarHBondContact O-N 3.19Å; V105-N108 PolarHBondContact O-N 2.75Å; V105-I109 HydrophobicContact CG1-CD1 3.7Å; V105-I109 HydrophobicContact CG1-CG1 4.5Å; V105-I109 VanDerWaalsContact O-CG1 3.24Å; V105-I109 WeakPolarHBondContact O-CG1 3.38Å; V105-I109 PolarHBondContact O-N 2.64Å; V105-L139 VanDerWaalsContact CB-O 3.25Å; V105-L139 WeakPolarHBondContact CB-O 3.28Å; V105-L139 HydrophobicContact CG2-CB 4.46Å; V105-L139 VanDerWaalsContact CG2-O 3.3Å; V105-L139 WeakPolarHBondContact CG2-O 3.46Å; V105-L140 HydrophobicContact CG1-CD2 4.37Å; V105-L140 PolarHBondContact N-O 3.02Å; V105-K142 WeakPolarHBondContact CG2-O 3.35Å; V105-K142 PolarHBondContact N-O 2.87Å; V105-L147 HydrophobicContact CG2-CD1 3.59Å; V105-L147 HydrophobicContact CG2-CG 4.48Å; V105-V155 HydrophobicContact CB-CG2 4.37Å; V105-V155 HydrophobicContact CG1-CB 4.48Å; V105-V155 HydrophobicContact CG1-CG1 4.02Å; V105-V155 HydrophobicContact CG1-CG2 3.59Å; V105-V155 HydrophobicContact CG2-CG2 3.93Å
106K98.4Very high96.7Very high47 Ų4749.8 Ų49.820%0.20427%0.27CS..Hα-helixtrans-55.9-4817618017767.5-1490111.3S104 I109 L110 L127 L140 E141S104-K106 VanDerWaalsContact C-N 3.26Å; S104-K106 PolarHBondContact O-N 3.06Å; K106-I109 PolarHBondContact O-N 3.22Å; K106-L110 HydrophobicContact CG-CD1 3.8Å; K106-L110 HydrophobicContact CG-CG 4.46Å; K106-L110 WeakPolarHBondContact O-CB 3.18Å; K106-L110 WeakPolarHBondContact O-CG 3.36Å; K106-L110 PolarHBondContact O-N 3.1Å; K106-L127 HydrophobicContact CG-CD2 3.95Å; K106-L140 HydrophobicContact CB-CB 4.26Å; K106-L140 HydrophobicContact CB-CD2 3.97Å; K106-L140 WeakPolarHBondContact CB-O 3.29Å; K106-L140 HydrophobicContact CG-CD2 4.48Å; K106-L140 PolarHBondContact N-O 3.42Å; K106-E141 VanDerWaalsContact NZ-CD 3.29Å; K106-E141 IonicContact NZ-OE1 3.35Å; K106-E141 PolarHBondContact NZ-OE1 3.3Å; K106-E141 IonicContact NZ-OE2 3.97Å; K106-E141 PolarHBondContact NZ-OE2 3.02Å
107D98Very high96.7Very high64 Ų6455 Ų5534%0.34228%0.281SS..Hα-helixtrans-69.3-39.7-177-56.8-38000111.6F103 S104 V105 I109 L110 L111F103-D107 HydrophobicContact CB-CB 3.95Å; F103-D107 HydrophobicContact CD2-CB 3.64Å; F103-D107 HydrophobicContact CG-CB 4.11Å; S104-D107 WeakPolarHBondContact CB-OD2 3.2Å; S104-D107 PolarHBondContact N-OD2 3.17Å; S104-D107 PolarHBondContact O-N 3.01Å; S104-D107 PolarHBondContact OG-N 3.15Å; S104-D107 VanDerWaalsContact OG-N 3.11Å; S104-D107 PolarHBondContact OG-OD2 3.09Å; V105-D107 VanDerWaalsContact C-N 3.32Å; V105-D107 PolarHBondContact O-N 3.19Å; D107-I109 VanDerWaalsContact C-N 3.29Å; D107-I109 PolarHBondContact O-N 3.3Å; D107-L110 PolarHBondContact O-N 3.26Å; D107-L111 WeakPolarHBondContact O-CB 3.49Å; D107-L111 PolarHBondContact O-N 2.96Å
108N98.4Very high96.7Very high0 Ų055.8 Ų55.80%029%0.286CS..Hα-helixtrans-56.8-44.2173.2-90.8-81.6000111.5L99 L100 F103 S104 V105 V155 R159L99-N108 HydrophobicContact CD2-CB 4.4Å; L100-N108 PolarHBondContact N-OD1 3.13Å; L100-N108 PolarHBondContact O-ND2 2.76Å; F103-N108 VanDerWaalsContact CB-ND2 3.33Å; F103-N108 WeakPolarHBondContact CB-ND2 3.29Å; F103-N108 PolarHBondContact O-ND2 2.74Å; S104-N108 WeakPolarHBondContact O-CB 3.45Å; S104-N108 PolarHBondContact O-N 2.93Å; S104-N108 PolarHBondContact O-ND2 2.94Å; V105-N108 PolarHBondContact O-N 2.75Å; N108-V155 HydrophobicContact CB-CG1 4.2Å; N108-R159 WeakPolarHBondContact O-CD 3.44Å; N108-R159 VanDerWaalsContact O-CG 3.24Å; N108-R159 WeakPolarHBondContact O-CG 3.46Å
109I98.4Very high96.8Very high0 Ų055.1 Ų55.10%029%0.286CS..Hα-helixtrans-71.8-42.8-179.4-62.3166.9000111.1V105 K106 D107 L111 P112 L127 V131 I136 V155 A158 I162V105-I109 HydrophobicContact CG1-CD1 3.7Å; V105-I109 HydrophobicContact CG1-CG1 4.5Å; V105-I109 VanDerWaalsContact O-CG1 3.24Å; V105-I109 WeakPolarHBondContact O-CG1 3.38Å; V105-I109 PolarHBondContact O-N 2.64Å; K106-I109 PolarHBondContact O-N 3.22Å; D107-I109 VanDerWaalsContact C-N 3.29Å; D107-I109 PolarHBondContact O-N 3.3Å; I109-L111 VanDerWaalsContact C-N 3.32Å; I109-L111 PolarHBondContact O-N 2.89Å; I109-P112 VanDerWaalsContact O-CD 3.28Å; I109-P112 WeakPolarHBondContact O-CD 3.2Å; I109-L127 HydrophobicContact CB-CD1 3.97Å; I109-L127 HydrophobicContact CD1-CD1 4.33Å; I109-L127 HydrophobicContact CG2-CD1 3.46Å; I109-L127 VanDerWaalsContact CG2-CD1 3.46Å; I109-V131 HydrophobicContact CD1-CG1 3.81Å; I109-I136 HydrophobicContact CD1-CD1 3.84Å; I109-V155 HydrophobicContact CD1-CG1 4.31Å; I109-V155 HydrophobicContact CG1-CG1 3.98Å; I109-A158 HydrophobicContact CD1-CB 3.61Å; I109-A158 HydrophobicContact CG1-CB 3.69Å; I109-A158 HydrophobicContact CG2-CB 4.04Å; I109-I162 HydrophobicContact CG2-CB 4.27Å; I109-I162 HydrophobicContact CG2-CD1 4.18Å; I109-I162 HydrophobicContact CG2-CG1 4.12Å; I109-I162 WeakPolarHBondContact O-CG2 3.42Å
110L97.9Very high96.5Very high13 Ų1359.7 Ų59.77%0.06832%0.315CS..Hα-helixtrans-77.4-15.7-176-71.2178.8000114K106 D107 P112 L113 V114 L123 L127K106-L110 HydrophobicContact CG-CD1 3.8Å; K106-L110 HydrophobicContact CG-CG 4.46Å; K106-L110 WeakPolarHBondContact O-CB 3.18Å; K106-L110 WeakPolarHBondContact O-CG 3.36Å; K106-L110 PolarHBondContact O-N 3.1Å; D107-L110 PolarHBondContact O-N 3.26Å; L110-P112 VanDerWaalsContact C-CD 3.47Å; L110-L113 HydrophobicContact CD2-CD1 4.14Å; L110-L113 WeakPolarHBondContact O-CB 3.45Å; L110-L113 PolarHBondContact O-N 2.59Å; L110-V114 PolarHBondContact O-N 3.27Å; L110-L123 HydrophobicContact CD1-CB 4.33Å; L110-L123 HydrophobicContact CD1-CD1 4.45Å; L110-L123 HydrophobicContact CD2-CB 3.97Å; L110-L123 HydrophobicContact CD2-CD2 4.35Å; L110-L127 HydrophobicContact CD1-CD2 4.29Å; L110-L127 HydrophobicContact CD2-CB 4.06Å; L110-L127 HydrophobicContact CD2-CD1 4.2Å; L110-L127 HydrophobicContact CD2-CD2 4.4Å; L110-L127 HydrophobicContact CD2-CG 4.46Å; L110-L127 HydrophobicContact CG-CD1 4.37Å; L110-L127 HydrophobicContact CG-CD2 4.34Å
111L96.8Very high96.3Very high46 Ų4666.1 Ų66.124%0.24134%0.34CS..Hα-helixtrans-48.9-46.5-174.9-179.463.1000113.7L100 F103 D107 I109 L113 V114 L115L100-L111 HydrophobicContact CD1-CD2 3.83Å; F103-L111 HydrophobicContact CE2-CD1 4.29Å; D107-L111 WeakPolarHBondContact O-CB 3.49Å; D107-L111 PolarHBondContact O-N 2.96Å; I109-L111 VanDerWaalsContact C-N 3.32Å; I109-L111 PolarHBondContact O-N 2.89Å; L111-L113 VanDerWaalsContact C-N 3.34Å; L111-L113 PolarHBondContact O-N 2.94Å; L111-V114 PolarHBondContact O-N 2.92Å; L111-L115 HydrophobicContact CD1-CD1 4.21Å; L111-L115 HydrophobicContact CD1-CG 4.18Å; L111-L115 HydrophobicContact CG-CD1 4.11Å; L111-L115 HydrophobicContact CG-CG 4.48Å; L111-L115 VanDerWaalsContact O-CG 3.29Å; L111-L115 WeakPolarHBondContact O-CG 3.36Å; L111-L115 PolarHBondContact O-N 2.89Å
112P96.7Very high96.3Very high23 Ų2366.7 Ų66.715%0.14934%0.339CS..Hα-helixtrans-59.9-40.3177.1-24.636.9000113.3R87 I109 L110 L115 S116 R159 I162 T163R87-P112 WeakPolarHBondContact CD-O 3.39Å; R87-P112 HydrophobicContact CG-CB 4.47Å; I109-P112 VanDerWaalsContact O-CD 3.28Å; I109-P112 WeakPolarHBondContact O-CD 3.2Å; L110-P112 VanDerWaalsContact C-CD 3.47Å; P112-L115 PolarHBondContact O-N 3.1Å; P112-S116 PolarHBondContact O-N 3.01Å; P112-R159 HydrophobicContact CG-CG 3.84Å; P112-I162 HydrophobicContact CB-CG2 4.18Å; P112-I162 HydrophobicContact CG-CG2 4.07Å; P112-T163 HydrophobicContact CB-CG2 3.47Å; P112-T163 VanDerWaalsContact CB-CG2 3.47Å
113L96.9Very high96.2Very high5 Ų561.8 Ų61.83%0.02631%0.309CS..Hα-helixtrans-70.7-34.7178.7-60.7-175000112.5L110 L111 L115 S116 R117 M118 L123 E126 I162 T163L110-L113 HydrophobicContact CD2-CD1 4.14Å; L110-L113 WeakPolarHBondContact O-CB 3.45Å; L110-L113 PolarHBondContact O-N 2.59Å; L111-L113 VanDerWaalsContact C-N 3.34Å; L111-L113 PolarHBondContact O-N 2.94Å; L113-L115 VanDerWaalsContact C-N 3.32Å; L113-S116 WeakPolarHBondContact CA-OG 3.42Å; L113-S116 PolarHBondContact O-N 3.28Å; L113-S116 PolarHBondContact O-OG 2.92Å; L113-R117 PolarHBondContact O-N 3.16Å; L113-M118 HydrophobicContact CB-CB 4.26Å; L113-M118 HydrophobicContact CB-SD 4.31Å; L113-M118 HydrophobicContact CD1-CE 4.49Å; L113-M118 HydrophobicContact CD1-SD 3.87Å; L113-M118 HydrophobicContact CD2-CE 3.9Å; L113-M118 HydrophobicContact CD2-SD 4.25Å; L113-M118 HydrophobicContact CG-SD 4.39Å; L113-M118 WeakPolarHBondContact O-CB 3.41Å; L113-M118 PolarHBondContact O-N 3.15Å; L113-L123 HydrophobicContact CB-CD2 3.5Å; L113-L123 VanDerWaalsContact CB-CD2 3.5Å; L113-L123 HydrophobicContact CD1-CD2 3.97Å; L113-L123 HydrophobicContact CG-CD2 4.42Å; L113-E126 HydrophobicContact CD1-CB 3.68Å; L113-E126 HydrophobicContact CD1-CG 4.02Å; L113-I162 HydrophobicContact CD1-CD1 4.26Å; L113-I162 HydrophobicContact CD1-CG1 3.62Å; L113-I162 HydrophobicContact CG-CG1 3.95Å; L113-I162 HydrophobicContact CG-CG2 4.32Å; L113-T163 HydrophobicContact CD2-CG2 4.04Å
114V95.8Very high96Very high82 Ų8262.2 Ų62.250%0.49731%0.313SS..Hα-helixtrans-64.7-41.8172.8174.80000110.1L110 L111 S116 R117 L123L110-V114 PolarHBondContact O-N 3.27Å; L111-V114 PolarHBondContact O-N 2.92Å; V114-S116 VanDerWaalsContact C-N 3.28Å; V114-S116 PolarHBondContact O-N 3.08Å; V114-R117 WeakPolarHBondContact O-CA 3.32Å; V114-R117 PolarHBondContact O-N 2.8Å; V114-L123 HydrophobicContact CG2-CD1 4.25Å
115L94.3Very high95.9Very high106 Ų10664.3 Ų64.356%0.55533%0.334SS*.Hα-helixtrans-69.3-22.3176.7-67.2175000113.5R87 L111 P112 L113 R117R87-L115 PolarHBondContact NH1-O 3.37Å; L111-L115 HydrophobicContact CD1-CD1 4.21Å; L111-L115 HydrophobicContact CD1-CG 4.18Å; L111-L115 HydrophobicContact CG-CD1 4.11Å; L111-L115 HydrophobicContact CG-CG 4.48Å; L111-L115 VanDerWaalsContact O-CG 3.29Å; L111-L115 WeakPolarHBondContact O-CG 3.36Å; L111-L115 PolarHBondContact O-N 2.89Å; P112-L115 PolarHBondContact O-N 3.1Å; L113-L115 VanDerWaalsContact C-N 3.32Å; L115-R117 VanDerWaalsContact C-N 3.25Å
116S93Very high95.8Very high46 Ų4667.6 Ų67.632%0.32235%0.35SS..THydrogen-bonded Turntrans-84.82.2169.469.40000113.1P112 L113 V114 M118P112-S116 PolarHBondContact O-N 3.01Å; L113-S116 WeakPolarHBondContact CA-OG 3.42Å; L113-S116 PolarHBondContact O-N 3.28Å; L113-S116 PolarHBondContact O-OG 2.92Å; V114-S116 VanDerWaalsContact C-N 3.28Å; V114-S116 PolarHBondContact O-N 3.08Å; S116-M118 PolarHBondContact O-N 3.27Å
117R94Very high95.8Very high228 Ų22865.3 Ų65.386%0.8634%0.34SS*.THydrogen-bonded Turntrans60.830-178.3-53.2-178.7177.3-175.4-1.4113.3L113 V114 L115L113-R117 PolarHBondContact O-N 3.16Å; V114-R117 WeakPolarHBondContact O-CA 3.32Å; V114-R117 PolarHBondContact O-N 2.8Å; L115-R117 VanDerWaalsContact C-N 3.25Å
118M95.6Very high95.7Very high44 Ų4468.8 Ų68.822%0.21735%0.352CS..  trans-60.1134.1174-177.4176.3-76.600110.4L113 S116 V120 Q122 L123 E126L113-M118 HydrophobicContact CB-CB 4.26Å; L113-M118 HydrophobicContact CB-SD 4.31Å; L113-M118 HydrophobicContact CD1-CE 4.49Å; L113-M118 HydrophobicContact CD1-SD 3.87Å; L113-M118 HydrophobicContact CD2-CE 3.9Å; L113-M118 HydrophobicContact CD2-SD 4.25Å; L113-M118 HydrophobicContact CG-SD 4.39Å; L113-M118 WeakPolarHBondContact O-CB 3.41Å; L113-M118 PolarHBondContact O-N 3.15Å; S116-M118 PolarHBondContact O-N 3.27Å; M118-V120 PolarHBondContact O-N 3.37Å; M118-Q122 HydrophobicContact CG-CB 3.94Å; M118-Q122 HydrophobicContact SD-CB 4.01Å; M118-L123 HydrophobicContact CB-CD2 3.93Å; M118-L123 HydrophobicContact CG-CD2 4Å; M118-L123 HydrophobicContact SD-CD2 3.95Å; M118-E126 HydrophobicContact CE-CG 4.05Å; M118-E126 HydrophobicContact SD-CG 3.78Å
119P95.8Very high95.6Very high72 Ų7272.7 Ų72.747%0.46838%0.378SS..  trans-57.3137.4177.5-25.833.8000112.7K121 Q122 L123P119-K121 PolarHBondContact O-N 2.94Å; P119-Q122 HydrophobicContact CB-CG 4.45Å; P119-Q122 WeakPolarHBondContact O-CB 3.44Å; P119-Q122 PolarHBondContact O-N 3.37Å; P119-L123 PolarHBondContact O-N 3.23Å
120V92.4Very high95.5Very high119 Ų11973.5 Ų73.572%0.72138%0.382SS*.Hα-helixtrans-51.8-36.2-179.3177.60000112.8M118 Q122 L123M118-V120 PolarHBondContact O-N 3.37Å; V120-Q122 PolarHBondContact O-N 2.98Å; V120-L123 PolarHBondContact O-N 2.95Å
121K93Very high95.5Very high205 Ų20573 Ų7389%0.89138%0.38SS*.Hα-helixtrans-63.4-23.3178.9-65.4-174.2179.5-178.80113.5P119P119-K121 PolarHBondContact O-N 2.94Å
122Q95.2Very high95.5Very high106 Ų10678.1 Ų78.150%0.49540%0.4SS..Hα-helixtrans-92.7-28.6-179.5-65.1176.8-2.400112.5M118 P119 V120 M124 G125 E126M118-Q122 HydrophobicContact CG-CB 3.94Å; M118-Q122 HydrophobicContact SD-CB 4.01Å; P119-Q122 HydrophobicContact CB-CG 4.45Å; P119-Q122 WeakPolarHBondContact O-CB 3.44Å; P119-Q122 PolarHBondContact O-N 3.37Å; V120-Q122 PolarHBondContact O-N 2.98Å; Q122-M124 VanDerWaalsContact C-N 3.28Å; Q122-M124 PolarHBondContact O-N 2.98Å; Q122-M124 VanDerWaalsContact O-N 3.15Å; Q122-G125 WeakPolarHBondContact O-CA 3.5Å; Q122-G125 PolarHBondContact O-N 3.4Å; Q122-E126 PolarHBondContact O-N 3.47Å
123L95.8Very high95.3Very high14 Ų1479.5 Ų79.57%0.07341%0.414CS..Hα-helixtrans-51.9-43.5-175-64.5179.7000113.4L110 L113 V114 M118 P119 V120 G125 E126 L127L110-L123 HydrophobicContact CD1-CB 4.33Å; L110-L123 HydrophobicContact CD1-CD1 4.45Å; L110-L123 HydrophobicContact CD2-CB 3.97Å; L110-L123 HydrophobicContact CD2-CD2 4.35Å; L113-L123 HydrophobicContact CB-CD2 3.5Å; L113-L123 VanDerWaalsContact CB-CD2 3.5Å; L113-L123 HydrophobicContact CD1-CD2 3.97Å; L113-L123 HydrophobicContact CG-CD2 4.42Å; V114-L123 HydrophobicContact CG2-CD1 4.25Å; M118-L123 HydrophobicContact CB-CD2 3.93Å; M118-L123 HydrophobicContact CG-CD2 4Å; M118-L123 HydrophobicContact SD-CD2 3.95Å; P119-L123 PolarHBondContact O-N 3.23Å; V120-L123 PolarHBondContact O-N 2.95Å; L123-G125 VanDerWaalsContact C-N 3.26Å; L123-G125 PolarHBondContact O-N 3.21Å; L123-E126 PolarHBondContact O-N 3.06Å; L123-L127 WeakPolarHBondContact O-CB 3.19Å; L123-L127 PolarHBondContact O-N 3.38Å
124M93.5Very high95.2Very high83 Ų8379.4 Ų79.441%0.40941%0.413SS..Hα-helixtrans-69.7-24.9-179.9-67.1-57-6300113.2Q122 L127 K128Q122-M124 VanDerWaalsContact C-N 3.28Å; Q122-M124 PolarHBondContact O-N 2.98Å; Q122-M124 VanDerWaalsContact O-N 3.15Å; M124-L127 HydrophobicContact CE-CD2 4.26Å; M124-L127 HydrophobicContact SD-CD2 4.02Å; M124-K128 WeakPolarHBondContact O-CG 3.45Å; M124-K128 PolarHBondContact O-N 3.18Å
125G95.9Very high95.2Very high47 Ų4777.9 Ų77.949%0.48541%0.414SS..Hα-helixtrans-67.8-43.7173.900000111.4Q122 L123 P129Q122-G125 WeakPolarHBondContact O-CA 3.5Å; Q122-G125 PolarHBondContact O-N 3.4Å; L123-G125 VanDerWaalsContact C-N 3.26Å; L123-G125 PolarHBondContact O-N 3.21Å; G125-P129 WeakPolarHBondContact O-CD 3.45Å
126E96.7Very high95.3Very high69 Ų6972.9 Ų72.932%0.32239%0.388SS..Hα-helixtrans-71.8-38.7176.2-59.3-54141.200112.4L113 M118 Q122 L123 P129 I162L113-E126 HydrophobicContact CD1-CB 3.68Å; L113-E126 HydrophobicContact CD1-CG 4.02Å; M118-E126 HydrophobicContact CE-CG 4.05Å; M118-E126 HydrophobicContact SD-CG 3.78Å; Q122-E126 PolarHBondContact O-N 3.47Å; L123-E126 PolarHBondContact O-N 3.06Å; E126-P129 WeakPolarHBondContact O-CD 3.46Å; E126-I162 HydrophobicContact CB-CD1 4.1Å; E126-I162 WeakPolarHBondContact O-CD1 3.28Å
127L97.8Very high95.5Very high0 Ų074.8 Ų74.80%039%0.391CS..Hα-helixtrans-65.7-46.4-175.7-175.864.2000112.7K106 I109 L110 L123 M124 V130 V131 L140K106-L127 HydrophobicContact CG-CD2 3.95Å; I109-L127 HydrophobicContact CB-CD1 3.97Å; I109-L127 HydrophobicContact CD1-CD1 4.33Å; I109-L127 HydrophobicContact CG2-CD1 3.46Å; I109-L127 VanDerWaalsContact CG2-CD1 3.46Å; L110-L127 HydrophobicContact CD1-CD2 4.29Å; L110-L127 HydrophobicContact CD2-CB 4.06Å; L110-L127 HydrophobicContact CD2-CD1 4.2Å; L110-L127 HydrophobicContact CD2-CD2 4.4Å; L110-L127 HydrophobicContact CD2-CG 4.46Å; L110-L127 HydrophobicContact CG-CD1 4.37Å; L110-L127 HydrophobicContact CG-CD2 4.34Å; L123-L127 WeakPolarHBondContact O-CB 3.19Å; L123-L127 PolarHBondContact O-N 3.38Å; M124-L127 HydrophobicContact CE-CD2 4.26Å; M124-L127 HydrophobicContact SD-CD2 4.02Å; L127-V130 PolarHBondContact O-N 2.78Å; L127-V131 HydrophobicContact CD1-CG1 3.64Å; L127-V131 HydrophobicContact CG-CG1 4.06Å; L127-V131 HydrophobicContact CG-CG2 4.47Å; L127-V131 WeakPolarHBondContact O-CG2 3.44Å; L127-V131 PolarHBondContact O-N 3.01Å; L127-L140 HydrophobicContact CD1-CD2 4.35Å; L127-L140 HydrophobicContact CD2-CD1 4.32Å; L127-L140 HydrophobicContact CD2-CD2 3.97Å; L127-L140 HydrophobicContact CG-CD2 4.41Å
128K96.9Very high95.7Very high137 Ų13773.5 Ų73.560%0.59639%0.392SS*.Hα-helixtrans-56.5-50.3-170.1-83.4176-179.2-179.10113.6M124 V130 K132M124-K128 WeakPolarHBondContact O-CG 3.45Å; M124-K128 PolarHBondContact O-N 3.18Å; K128-V130 VanDerWaalsContact C-N 3.31Å; K128-V130 PolarHBondContact O-N 2.71Å; K128-K132 VanDerWaalsContact O-CB 3.26Å; K128-K132 WeakPolarHBondContact O-CB 3.31Å; K128-K132 PolarHBondContact O-N 3.27Å; K128-K132 VanDerWaalsContact O-N 3.13Å
129P95.8Very high95.8Very high82 Ų8272.2 Ų72.253%0.53239%0.386SS..Hα-helixtrans-58-43177.2-24.533.3000112.7G125 E126 A133G125-P129 WeakPolarHBondContact O-CD 3.45Å; E126-P129 WeakPolarHBondContact O-CD 3.46Å; P129-A133 WeakPolarHBondContact O-CB 3.49Å; P129-A133 PolarHBondContact O-N 3.33Å
130V97Very high95.9Very high17 Ų1770 Ų7010%0.10337%0.37CS..Hα-helixtrans-65.4-51-177171.90000111.2L127 K128 K132 A133 L134 A158 I161 I162L127-V130 PolarHBondContact O-N 2.78Å; K128-V130 VanDerWaalsContact C-N 3.31Å; K128-V130 PolarHBondContact O-N 2.71Å; V130-K132 VanDerWaalsContact C-N 3.27Å; V130-K132 PolarHBondContact O-N 2.93Å; V130-A133 PolarHBondContact O-N 3.24Å; V130-L134 HydrophobicContact CG1-CD1 3.95Å; V130-L134 WeakPolarHBondContact O-CG 3.46Å; V130-L134 PolarHBondContact O-N 3.1Å; V130-L134 VanDerWaalsContact O-N 3.17Å; V130-A158 HydrophobicContact CG1-CB 3.65Å; V130-I161 HydrophobicContact CG1-CD1 4.08Å; V130-I161 HydrophobicContact CG1-CG1 3.94Å; V130-I161 HydrophobicContact CG2-CG1 4.33Å; V130-I162 HydrophobicContact CB-CD1 4.05Å; V130-I162 HydrophobicContact CG1-CD1 4.41Å; V130-I162 HydrophobicContact CG2-CD1 3.68Å
131V97.6Very high96.2Very high3 Ų370.3 Ų70.32%0.01836%0.364CS..Hα-helixtrans-68.3-30.3-177.6-63.90000112.7I109 L127 G135 I136 E137 L140I109-V131 HydrophobicContact CD1-CG1 3.81Å; L127-V131 HydrophobicContact CD1-CG1 3.64Å; L127-V131 HydrophobicContact CG-CG1 4.06Å; L127-V131 HydrophobicContact CG-CG2 4.47Å; L127-V131 WeakPolarHBondContact O-CG2 3.44Å; L127-V131 PolarHBondContact O-N 3.01Å; V131-G135 PolarHBondContact O-N 2.86Å; V131-I136 HydrophobicContact CB-CG1 3.87Å; V131-I136 HydrophobicContact CG1-CD1 4.2Å; V131-I136 HydrophobicContact CG1-CG1 3.99Å; V131-I136 PolarHBondContact O-N 2.79Å; V131-E137 HydrophobicContact CB-CG 4Å; V131-E137 HydrophobicContact CG2-CB 4.28Å; V131-E137 HydrophobicContact CG2-CG 3.49Å; V131-E137 VanDerWaalsContact CG2-CG 3.49Å; V131-L140 HydrophobicContact CG1-CD2 3.87Å
132K95.5Very high96.5Very high152 Ų15264.3 Ų64.366%0.66134%0.338SS*.Hα-helixtrans-69.1-45.1173.7-176.7174.2-177.8-176.90112.4K128 V130 L134 G135 E137K128-K132 VanDerWaalsContact O-CB 3.26Å; K128-K132 WeakPolarHBondContact O-CB 3.31Å; K128-K132 PolarHBondContact O-N 3.27Å; K128-K132 VanDerWaalsContact O-N 3.13Å; V130-K132 VanDerWaalsContact C-N 3.27Å; V130-K132 PolarHBondContact O-N 2.93Å; K132-L134 PolarHBondContact O-N 3.43Å; K132-G135 PolarHBondContact O-N 2.8Å; K132-E137 WeakPolarHBondContact CA-OE1 3.28Å; K132-E137 HydrophobicContact CB-CG 4.35Å; K132-E137 VanDerWaalsContact CB-OE1 3.25Å; K132-E137 WeakPolarHBondContact CB-OE1 3.33Å; K132-E137 VanDerWaalsContact CG-OE1 3.32Å; K132-E137 WeakPolarHBondContact CG-OE1 3.48Å
133A92.7Very high96.6Very high53 Ų5363.2 Ų63.244%0.43833%0.33SS..Hα-helixtrans-59.7-32177.100000112.2P129 V130P129-A133 WeakPolarHBondContact O-CB 3.49Å; P129-A133 PolarHBondContact O-N 3.33Å; V130-A133 PolarHBondContact O-N 3.24Å
134L95.6Very high96.7Very high3 Ų362.6 Ų62.62%0.01633%0.326CS..Hα-helixtrans-95.3-7.6-177.7-63.6168.5000113.8V130 K132 I136 R154 V157 A158 I161 I188V130-L134 HydrophobicContact CG1-CD1 3.95Å; V130-L134 WeakPolarHBondContact O-CG 3.46Å; V130-L134 PolarHBondContact O-N 3.1Å; V130-L134 VanDerWaalsContact O-N 3.17Å; K132-L134 PolarHBondContact O-N 3.43Å; L134-I136 HydrophobicContact CB-CD1 4.18Å; L134-I136 HydrophobicContact CB-CG1 4.06Å; L134-I136 HydrophobicContact CD1-CD1 4.45Å; L134-R154 WeakPolarHBondContact O-CD 3.31Å; L134-R154 PolarHBondContact O-NH1 2.94Å; L134-V157 HydrophobicContact CD1-CG1 4.25Å; L134-V157 HydrophobicContact CD2-CB 4.49Å; L134-V157 HydrophobicContact CD2-CG1 3.94Å; L134-A158 VanDerWaalsContact CD1-CA 3.41Å; L134-A158 HydrophobicContact CD1-CB 3.4Å; L134-A158 VanDerWaalsContact CD1-CB 3.4Å; L134-I161 HydrophobicContact CD1-CD1 4.25Å; L134-I188 HydrophobicContact CD2-CB 4.42Å; L134-I188 HydrophobicContact CD2-CD1 3.93Å; L134-I188 HydrophobicContact CD2-CG1 4.29Å; L134-I188 HydrophobicContact CD2-CG2 3.33Å
135G95.3Very high96.9Very high49 Ų4966.1 Ų66.151%0.50534%0.336SS..THydrogen-bonded Turntrans65.937.4179.800000113.4V131 K132V131-G135 PolarHBondContact O-N 2.86Å; K132-G135 PolarHBondContact O-N 2.8Å
136I97.1Very high97Very high2 Ų268.1 Ų68.11%0.0133%0.333CS..  trans-119.612.4-176.261.9175.1000113.3I109 V131 L134 K138 L139 R154 V155 A158I109-I136 HydrophobicContact CD1-CD1 3.84Å; V131-I136 HydrophobicContact CB-CG1 3.87Å; V131-I136 HydrophobicContact CG1-CD1 4.2Å; V131-I136 HydrophobicContact CG1-CG1 3.99Å; V131-I136 PolarHBondContact O-N 2.79Å; L134-I136 HydrophobicContact CB-CD1 4.18Å; L134-I136 HydrophobicContact CB-CG1 4.06Å; L134-I136 HydrophobicContact CD1-CD1 4.45Å; I136-K138 PolarHBondContact O-N 3.25Å; I136-L139 HydrophobicContact CB-CD1 4.06Å; I136-L139 HydrophobicContact CB-CG 4.48Å; I136-L139 HydrophobicContact CG2-CD1 3.96Å; I136-L139 WeakPolarHBondContact O-CB 3.32Å; I136-L139 PolarHBondContact O-N 2.9Å; I136-R154 HydrophobicContact CG2-CB 3.77Å; I136-V155 HydrophobicContact CD1-CG2 4.07Å; I136-A158 HydrophobicContact CD1-CB 3.8Å
137E97.4Very high97Very high85 Ų8565.6 Ų65.640%0.39732%0.321SS..G310 helixtrans-57.5-37-178-61.1121.7119.300112.9V131 K132 L139 L140V131-E137 HydrophobicContact CB-CG 4Å; V131-E137 HydrophobicContact CG2-CB 4.28Å; V131-E137 HydrophobicContact CG2-CG 3.49Å; V131-E137 VanDerWaalsContact CG2-CG 3.49Å; K132-E137 WeakPolarHBondContact CA-OE1 3.28Å; K132-E137 HydrophobicContact CB-CG 4.35Å; K132-E137 VanDerWaalsContact CB-OE1 3.25Å; K132-E137 WeakPolarHBondContact CB-OE1 3.33Å; K132-E137 VanDerWaalsContact CG-OE1 3.32Å; K132-E137 WeakPolarHBondContact CG-OE1 3.48Å; E137-L139 PolarHBondContact O-N 3.19Å; E137-L140 WeakPolarHBondContact O-CG 3.46Å; E137-L140 PolarHBondContact O-N 3.38Å
138K97.7Very high96.9Very high201 Ų20168.7 Ų68.787%0.87434%0.343SS*.G310 helixtrans-72.4-6.7179.9-61.4-174.9-179.1-179.10113.6I136I136-K138 PolarHBondContact O-N 3.25Å
139L98.1Very high96.8Very high17 Ų1763.6 Ų63.69%0.08933%0.329CS..G310 helixtrans-102.6-4.5-176-51.8179.5000112.6V105 I136 E137 E141 K142 L147 Q151V105-L139 VanDerWaalsContact CB-O 3.25Å; V105-L139 WeakPolarHBondContact CB-O 3.28Å; V105-L139 HydrophobicContact CG2-CB 4.46Å; V105-L139 VanDerWaalsContact CG2-O 3.3Å; V105-L139 WeakPolarHBondContact CG2-O 3.46Å; I136-L139 HydrophobicContact CB-CD1 4.06Å; I136-L139 HydrophobicContact CB-CG 4.48Å; I136-L139 HydrophobicContact CG2-CD1 3.96Å; I136-L139 WeakPolarHBondContact O-CB 3.32Å; I136-L139 PolarHBondContact O-N 2.9Å; E137-L139 PolarHBondContact O-N 3.19Å; L139-E141 VanDerWaalsContact C-N 3.28Å; L139-E141 PolarHBondContact O-N 2.71Å; L139-E141 VanDerWaalsContact O-N 3.14Å; L139-K142 HydrophobicContact CD2-CD 4.03Å; L139-K142 WeakPolarHBondContact O-CB 2.98Å; L139-K142 PolarHBondContact O-N 3Å; L139-L147 HydrophobicContact CB-CD2 4.35Å; L139-L147 HydrophobicContact CD1-CD2 4.21Å; L139-L147 HydrophobicContact CD2-CD2 4.28Å; L139-Q151 HydrophobicContact CD1-CB 4Å; L139-Q151 HydrophobicContact CD1-CG 3.77Å
140L98Very high96.8Very high27 Ų2760 Ų6014%0.14131%0.308CS..THydrogen-bonded Turntrans-52.9-39.2-170-78.4177.6000114.8V105 K106 L127 V131 E137V105-L140 HydrophobicContact CG1-CD2 4.37Å; V105-L140 PolarHBondContact N-O 3.02Å; K106-L140 HydrophobicContact CB-CB 4.26Å; K106-L140 HydrophobicContact CB-CD2 3.97Å; K106-L140 WeakPolarHBondContact CB-O 3.29Å; K106-L140 HydrophobicContact CG-CD2 4.48Å; K106-L140 PolarHBondContact N-O 3.42Å; L127-L140 HydrophobicContact CD1-CD2 4.35Å; L127-L140 HydrophobicContact CD2-CD1 4.32Å; L127-L140 HydrophobicContact CD2-CD2 3.97Å; L127-L140 HydrophobicContact CG-CD2 4.41Å; V131-L140 HydrophobicContact CG1-CD2 3.87Å; E137-L140 WeakPolarHBondContact O-CG 3.46Å; E137-L140 PolarHBondContact O-N 3.38Å
141E98Very high96.8Very high124 Ų12462.2 Ų62.258%0.57932%0.317SS*.THydrogen-bonded Turntrans-91.2-3.4-178.3-54-54.3135.900113.3K106 L139K106-E141 VanDerWaalsContact NZ-CD 3.29Å; K106-E141 IonicContact NZ-OE1 3.35Å; K106-E141 PolarHBondContact NZ-OE1 3.3Å; K106-E141 IonicContact NZ-OE2 3.97Å; K106-E141 PolarHBondContact NZ-OE2 3.02Å; L139-E141 VanDerWaalsContact C-N 3.28Å; L139-E141 PolarHBondContact O-N 2.71Å; L139-E141 VanDerWaalsContact O-N 3.14Å
142K98.5Very high96.8Very high80 Ų8064.6 Ų64.635%0.34833%0.327SS..SBendtrans-77.3162.6174.1-65-164.6173.5-163.20111.1S104 V105 L139 E146 L147S104-K142 CarbonylContact C-O 3.58Å; S104-K142 WeakPolarHBondContact CA-O 3.41Å; V105-K142 WeakPolarHBondContact CG2-O 3.35Å; V105-K142 PolarHBondContact N-O 2.87Å; L139-K142 HydrophobicContact CD2-CD 4.03Å; L139-K142 WeakPolarHBondContact O-CB 2.98Å; L139-K142 PolarHBondContact O-N 3Å; K142-E146 VanDerWaalsContact CA-OE2 3.27Å; K142-E146 WeakPolarHBondContact CA-OE2 3.42Å; K142-E146 HydrophobicContact CB-CB 4.37Å; K142-E146 HydrophobicContact CD-CB 4.25Å; K142-L147 HydrophobicContact CB-CD2 4.04Å; K142-L147 HydrophobicContact CD-CD2 3.89Å
143Y98.5Very high96.9Very high83 Ų8357.4 Ų57.433%0.32530%0.296SS..  trans-104157172-68.9-96.5000111.2F103 Y145 E146F103-Y143 WeakPolarHBondContact O-CD1 3.27Å; Y143-Y145 VanDerWaalsContact C-N 3.25Å; Y143-Y145 HydrophobicContact CD1-CE1 4.16Å; Y143-Y145 HydrophobicContact CD2-CE1 4.46Å; Y143-Y145 AromaticContact CG-CE1 3.7Å; Y143-Y145 HydrophobicContact CG-CE1 3.7Å; Y143-Y145 AromaticContact CG-CZ 3.91Å; Y143-Y145 PolarHBondContact O-N 3.36Å; Y143-Y145 VanDerWaalsContact O-N 3.15Å; Y143-E146 PolarHBondContact N-OE2 2.99Å; Y143-E146 WeakPolarHBondContact O-CB 3.33Å; Y143-E146 PolarHBondContact O-N 3.39Å
144P98.1Very high97.1Very high1 Ų157.4 Ų57.41%0.00628%0.284CS..G310 helixtrans-52.9-38.6-177.7-29.835.8000114.2L99 L100 D101 F103 E146 L147 K152L99-P144 HydrophobicContact CB-CB 4.15Å; L99-P144 HydrophobicContact CB-CG 3.83Å; L99-P144 HydrophobicContact CD1-CB 4.2Å; L99-P144 HydrophobicContact CD1-CG 4.19Å; L100-P144 WeakPolarHBondContact O-CG 3.35Å; D101-P144 WeakPolarHBondContact OD1-CB 3.32Å; F103-P144 WeakPolarHBondContact O-CD 3.44Å; P144-E146 PolarHBondContact O-N 2.88Å; P144-E146 VanDerWaalsContact O-N 3.11Å; P144-L147 WeakPolarHBondContact O-CB 3.45Å; P144-L147 PolarHBondContact O-N 3.3Å; P144-K152 WeakPolarHBondContact O-CE 3.33Å
145Y96.5Very high97.2Very high156 Ų15657.2 Ų57.261%0.61228%0.284SS*.G310 helixtrans-64-14.8178.760-98.2000114.1Y143Y143-Y145 VanDerWaalsContact C-N 3.25Å; Y143-Y145 HydrophobicContact CD1-CE1 4.16Å; Y143-Y145 HydrophobicContact CD2-CE1 4.46Å; Y143-Y145 AromaticContact CG-CE1 3.7Å; Y143-Y145 HydrophobicContact CG-CE1 3.7Å; Y143-Y145 AromaticContact CG-CZ 3.91Å; Y143-Y145 PolarHBondContact O-N 3.36Å; Y143-Y145 VanDerWaalsContact O-N 3.15Å
146E97.6Very high97.3Very high90 Ų9054.9 Ų54.942%0.42126%0.26SS..G310 helixtrans-92.11.4176.2-54-179.881.100113.5K142 Y143 P144K142-E146 VanDerWaalsContact CA-OE2 3.27Å; K142-E146 WeakPolarHBondContact CA-OE2 3.42Å; K142-E146 HydrophobicContact CB-CB 4.37Å; K142-E146 HydrophobicContact CD-CB 4.25Å; Y143-E146 PolarHBondContact N-OE2 2.99Å; Y143-E146 WeakPolarHBondContact O-CB 3.33Å; Y143-E146 PolarHBondContact O-N 3.39Å; P144-E146 PolarHBondContact O-N 2.88Å; P144-E146 VanDerWaalsContact O-N 3.11Å
147L97.4Very high97.4Very high15 Ų1554.8 Ų54.88%0.07926%0.259CS..SBendtrans-110.2146.8-171.6-56.4-173.9000112.5V105 L139 K142 P144 Q151 K152 V155V105-L147 HydrophobicContact CG2-CD1 3.59Å; V105-L147 HydrophobicContact CG2-CG 4.48Å; L139-L147 HydrophobicContact CB-CD2 4.35Å; L139-L147 HydrophobicContact CD1-CD2 4.21Å; L139-L147 HydrophobicContact CD2-CD2 4.28Å; K142-L147 HydrophobicContact CB-CD2 4.04Å; K142-L147 HydrophobicContact CD-CD2 3.89Å; P144-L147 WeakPolarHBondContact O-CB 3.45Å; P144-L147 PolarHBondContact O-N 3.3Å; L147-Q151 HydrophobicContact CB-CB 3.91Å; L147-Q151 HydrophobicContact CD1-CB 4.4Å; L147-Q151 HydrophobicContact CD2-CB 4.41Å; L147-Q151 HydrophobicContact CG-CB 4.47Å; L147-K152 HydrophobicContact CB-CG 3.79Å; L147-K152 HydrophobicContact CD1-CG 4.35Å; L147-V155 HydrophobicContact CD1-CG2 4.02Å
148S95.8Very high97.4Very high65 Ų6550.8 Ų50.846%0.45524%0.24SC..  trans-67.9160.6165.574.20000111.4G150 Q151 K152S148-G150 VanDerWaalsContact C-N 3.26Å; S148-G150 PolarHBondContact O-N 2.81Å; S148-Q151 WeakPolarHBondContact O-CB 3.32Å; S148-Q151 PolarHBondContact O-N 3.02Å; S148-Q151 WeakPolarHBondContact OG-CG 3.24Å; S148-Q151 PolarHBondContact OG-N 3.45Å; S148-K152 WeakPolarHBondContact O-CG 3.48Å; S148-K152 PolarHBondContact O-N 3.37Å
149G94.7Very high97.5Very high30 Ų3042.9 Ų42.931%0.30921%0.205SC..Hα-helixtrans-54-42.2176.600000112.9F97 Q151 K152 Q153 L177F97-G149 WeakPolarHBondContact CE1-O 3.47Å; G149-Q151 PolarHBondContact O-N 3.19Å; G149-K152 WeakPolarHBondContact O-CB 3.48Å; G149-K152 PolarHBondContact O-N 2.85Å; G149-Q153 PolarHBondContact O-N 3.49Å; G149-L177 VanDerWaalsContact C-CD2 3.41Å
150G95.4Very high97.4Very high8 Ų842.3 Ų42.38%0.08220%0.203CC..Hα-helixtrans-62.1-40.2175.100000114.5S148 Q153 R154S148-G150 VanDerWaalsContact C-N 3.26Å; S148-G150 PolarHBondContact O-N 2.81Å; G150-Q153 PolarHBondContact O-N 3.3Å; G150-R154 WeakPolarHBondContact O-CG 3.29Å; G150-R154 PolarHBondContact O-N 3.45Å
151Q96.9Very high97.4Very high63 Ų6341.6 Ų41.629%0.29420%0.199SC..Hα-helixtrans-67.4-44.7175.5-72.8170.5-19.600110.7L139 L147 S148 G149 Q153 R154 V155L139-Q151 HydrophobicContact CD1-CB 4Å; L139-Q151 HydrophobicContact CD1-CG 3.77Å; L147-Q151 HydrophobicContact CB-CB 3.91Å; L147-Q151 HydrophobicContact CD1-CB 4.4Å; L147-Q151 HydrophobicContact CD2-CB 4.41Å; L147-Q151 HydrophobicContact CG-CB 4.47Å; S148-Q151 WeakPolarHBondContact O-CB 3.32Å; S148-Q151 PolarHBondContact O-N 3.02Å; S148-Q151 WeakPolarHBondContact OG-CG 3.24Å; S148-Q151 PolarHBondContact OG-N 3.45Å; G149-Q151 PolarHBondContact O-N 3.19Å; Q151-Q153 VanDerWaalsContact C-N 3.28Å; Q151-Q153 PolarHBondContact O-N 3.16Å; Q151-R154 PolarHBondContact O-N 3.43Å; Q151-V155 VanDerWaalsContact O-CG2 3.32Å; Q151-V155 WeakPolarHBondContact O-CG2 3.49Å; Q151-V155 PolarHBondContact O-N 3.02Å
152K97.6Very high97.4Very high53 Ų5335.8 Ų35.823%0.2317%0.172CC..Hα-helixtrans-55.2-44.5173.6-68.6179.5176.4-176.50111.3F97 L99 P144 L147 S148 G149 R154 V155 A156F97-K152 HydrophobicContact CB-CB 4.14Å; F97-K152 HydrophobicContact CD1-CB 4.02Å; F97-K152 HydrophobicContact CD2-CB 3.9Å; F97-K152 HydrophobicContact CD2-CD 3.84Å; F97-K152 HydrophobicContact CE1-CB 4.5Å; F97-K152 HydrophobicContact CE2-CB 4.35Å; F97-K152 HydrophobicContact CE2-CD 4.1Å; F97-K152 HydrophobicContact CG-CB 3.72Å; F97-K152 HydrophobicContact CG-CD 4.49Å; L99-K152 HydrophobicContact CD1-CB 3.95Å; L99-K152 HydrophobicContact CD1-CG 4.19Å; P144-K152 WeakPolarHBondContact O-CE 3.33Å; L147-K152 HydrophobicContact CB-CG 3.79Å; L147-K152 HydrophobicContact CD1-CG 4.35Å; S148-K152 WeakPolarHBondContact O-CG 3.48Å; S148-K152 PolarHBondContact O-N 3.37Å; G149-K152 WeakPolarHBondContact O-CB 3.48Å; G149-K152 PolarHBondContact O-N 2.85Å; K152-R154 PolarHBondContact O-N 3.17Å; K152-V155 WeakPolarHBondContact O-CB 3.33Å; K152-V155 PolarHBondContact O-N 3.26Å; K152-V155 VanDerWaalsContact O-N 3.15Å; K152-A156 PolarHBondContact O-N 2.92Å
153Q97.5Very high97.3Very high0 Ų033.4 Ų33.40%016%0.164CC..Hα-helixtrans-68.7-37.9-179.2-163.861.4-40.100112.7F94 F97 G149 G150 Q151 V155 A156 V157 P173 L177 L185F94-Q153 PolarHBondContact O-NE2 2.88Å; F94-Q153 PolarHBondContact O-OE1 3.4Å; F97-Q153 HydrophobicContact CD1-CB 3.69Å; F97-Q153 HydrophobicContact CD1-CG 4.21Å; F97-Q153 VanDerWaalsContact CD1-OE1 3.26Å; F97-Q153 HydrophobicContact CE1-CB 3.75Å; F97-Q153 HydrophobicContact CE1-CG 4.32Å; G149-Q153 PolarHBondContact O-N 3.49Å; G150-Q153 PolarHBondContact O-N 3.3Å; Q151-Q153 VanDerWaalsContact C-N 3.28Å; Q151-Q153 PolarHBondContact O-N 3.16Å; Q153-V155 VanDerWaalsContact C-N 3.26Å; Q153-V155 PolarHBondContact O-N 2.98Å; Q153-A156 WeakPolarHBondContact O-CB 3.41Å; Q153-A156 PolarHBondContact O-N 3.1Å; Q153-A156 VanDerWaalsContact O-N 3.15Å; Q153-V157 WeakPolarHBondContact O-CG2 3.24Å; Q153-V157 PolarHBondContact O-N 3.38Å; Q153-P173 PolarHBondContact NE2-O 2.89Å; Q153-L177 HydrophobicContact CB-CD1 4.16Å; Q153-L177 HydrophobicContact CB-CD2 4.4Å; Q153-L177 HydrophobicContact CG-CD1 4.13Å; Q153-L185 HydrophobicContact CG-CD1 3.95Å; Q153-L185 HydrophobicContact CG-CD2 3.51Å; Q153-L185 HydrophobicContact CG-CG 4.39Å
154R97.3Very high97.2Very high53 Ų5335 Ų3520%0.218%0.178CC..Hα-helixtrans-62-35.8171.8-70.1174.9-174.6-149.79.3112L134 I136 G150 Q151 K152 V157 A158 I188L134-R154 WeakPolarHBondContact O-CD 3.31Å; L134-R154 PolarHBondContact O-NH1 2.94Å; I136-R154 HydrophobicContact CG2-CB 3.77Å; G150-R154 WeakPolarHBondContact O-CG 3.29Å; G150-R154 PolarHBondContact O-N 3.45Å; Q151-R154 PolarHBondContact O-N 3.43Å; K152-R154 PolarHBondContact O-N 3.17Å; R154-V157 PolarHBondContact O-N 2.59Å; R154-A158 WeakPolarHBondContact O-CB 3.27Å; R154-A158 PolarHBondContact O-N 2.97Å; R154-I188 HydrophobicContact CG-CD1 4.11Å
155V98.3Very high97.1Very high0 Ų035.1 Ų35.10%018%0.179CC..Hα-helixtrans-66.7-40.7173.1176.10000111.1L99 V105 N108 I109 I136 L147 Q151 K152 Q153 A158 R159L99-V155 HydrophobicContact CD1-CB 4Å; L99-V155 HydrophobicContact CD1-CG1 3.89Å; L99-V155 HydrophobicContact CD2-CB 4.43Å; L99-V155 HydrophobicContact CD2-CG1 3.85Å; V105-V155 HydrophobicContact CB-CG2 4.37Å; V105-V155 HydrophobicContact CG1-CB 4.48Å; V105-V155 HydrophobicContact CG1-CG1 4.02Å; V105-V155 HydrophobicContact CG1-CG2 3.59Å; V105-V155 HydrophobicContact CG2-CG2 3.93Å; N108-V155 HydrophobicContact CB-CG1 4.2Å; I109-V155 HydrophobicContact CD1-CG1 4.31Å; I109-V155 HydrophobicContact CG1-CG1 3.98Å; I136-V155 HydrophobicContact CD1-CG2 4.07Å; L147-V155 HydrophobicContact CD1-CG2 4.02Å; Q151-V155 VanDerWaalsContact O-CG2 3.32Å; Q151-V155 WeakPolarHBondContact O-CG2 3.49Å; Q151-V155 PolarHBondContact O-N 3.02Å; K152-V155 WeakPolarHBondContact O-CB 3.33Å; K152-V155 PolarHBondContact O-N 3.26Å; K152-V155 VanDerWaalsContact O-N 3.15Å; Q153-V155 VanDerWaalsContact C-N 3.26Å; Q153-V155 PolarHBondContact O-N 2.98Å; V155-A158 WeakPolarHBondContact O-CB 3.43Å; V155-A158 PolarHBondContact O-N 2.94Å; V155-R159 PolarHBondContact O-N 3.47Å
156A98Very high97.2Very high0 Ų030.3 Ų30.30%016%0.164CC..Hα-helixtrans-62.6-42.8174.800000111.8F97 L99 K152 Q153 R159 A160F97-A156 HydrophobicContact CB-CB 4.5Å; L99-A156 HydrophobicContact CD2-CB 4.27Å; K152-A156 PolarHBondContact O-N 2.92Å; Q153-A156 WeakPolarHBondContact O-CB 3.41Å; Q153-A156 PolarHBondContact O-N 3.1Å; Q153-A156 VanDerWaalsContact O-N 3.15Å; A156-R159 PolarHBondContact O-N 3.26Å; A156-A160 WeakPolarHBondContact O-CB 3.16Å; A156-A160 PolarHBondContact O-N 3.39Å
157V98.1Very high97.3Very high0 Ų026 Ų260%014%0.144CC..Hα-helixtrans-61.2-45.8172.6175.40000110.9V93 L134 Q153 R154 R159 A160 I161 L185 I188 F189 L192V93-V157 HydrophobicContact CG1-CG2 4.14Å; V93-V157 HydrophobicContact CG2-CG2 3.96Å; L134-V157 HydrophobicContact CD1-CG1 4.25Å; L134-V157 HydrophobicContact CD2-CB 4.49Å; L134-V157 HydrophobicContact CD2-CG1 3.94Å; Q153-V157 WeakPolarHBondContact O-CG2 3.24Å; Q153-V157 PolarHBondContact O-N 3.38Å; R154-V157 PolarHBondContact O-N 2.59Å; V157-R159 VanDerWaalsContact C-N 3.33Å; V157-R159 PolarHBondContact O-N 3.35Å; V157-A160 WeakPolarHBondContact O-CB 3.48Å; V157-A160 PolarHBondContact O-N 3.25Å; V157-I161 HydrophobicContact CG1-CD1 4.47Å; V157-I161 HydrophobicContact CG1-CG2 4.4Å; V157-I161 WeakPolarHBondContact O-CG1 3.41Å; V157-I161 PolarHBondContact O-N 2.98Å; V157-L185 HydrophobicContact CG2-CD1 3.81Å; V157-I188 HydrophobicContact CG1-CG2 4.36Å; V157-F189 HydrophobicContact CG2-CE2 3.7Å; V157-F189 HydrophobicContact CG2-CZ 4.32Å; V157-L192 HydrophobicContact CG1-CD1 4Å
158A98.3Very high97.3Very high0 Ų025.3 Ų25.30%014%0.14CC..Hα-helixtrans-55.9-48.517700000111.4I109 V130 L134 I136 R154 V155 A160 I161 I162I109-A158 HydrophobicContact CD1-CB 3.61Å; I109-A158 HydrophobicContact CG1-CB 3.69Å; I109-A158 HydrophobicContact CG2-CB 4.04Å; V130-A158 HydrophobicContact CG1-CB 3.65Å; L134-A158 VanDerWaalsContact CD1-CA 3.41Å; L134-A158 HydrophobicContact CD1-CB 3.4Å; L134-A158 VanDerWaalsContact CD1-CB 3.4Å; I136-A158 HydrophobicContact CD1-CB 3.8Å; R154-A158 WeakPolarHBondContact O-CB 3.27Å; R154-A158 PolarHBondContact O-N 2.97Å; V155-A158 WeakPolarHBondContact O-CB 3.43Å; V155-A158 PolarHBondContact O-N 2.94Å; A158-A160 VanDerWaalsContact C-N 3.28Å; A158-A160 PolarHBondContact O-N 3.43Å; A158-I161 PolarHBondContact O-N 2.99Å; A158-I162 WeakPolarHBondContact O-CB 3.35Å; A158-I162 PolarHBondContact O-N 2.9Å
159R98.2Very high97.4Very high36 Ų3622.2 Ų22.214%0.13612%0.118CC..Hα-helixtrans-60.4-37.5175.6-178.6-178.766.8-170.7-2.6112.2F97 N98 N108 P112 V155 A156 V157 I162F97-R159 PolarHBondContact O-NH2 3.32Å; N98-R159 PolarHBondContact O-NH1 3.47Å; N98-R159 PolarHBondContact O-NH2 2.95Å; N108-R159 WeakPolarHBondContact O-CD 3.44Å; N108-R159 VanDerWaalsContact O-CG 3.24Å; N108-R159 WeakPolarHBondContact O-CG 3.46Å; P112-R159 HydrophobicContact CG-CG 3.84Å; V155-R159 PolarHBondContact O-N 3.47Å; A156-R159 PolarHBondContact O-N 3.26Å; V157-R159 VanDerWaalsContact C-N 3.33Å; V157-R159 PolarHBondContact O-N 3.35Å; R159-I162 VanDerWaalsContact O-CG2 3.3Å; R159-I162 WeakPolarHBondContact O-CG2 3.41Å
160A97.8Very high97.6Very high5 Ų520.8 Ų20.84%0.04110%0.104CC..Hα-helixtrans-69.3-37-179.300000112.7G91 F92 V93 A156 V157 A158 P165 L168G91-A160 VanDerWaalsContact CA-O 3.23Å; G91-A160 WeakPolarHBondContact CA-O 3.41Å; F92-A160 WeakPolarHBondContact O-CB 3.46Å; V93-A160 HydrophobicContact CG2-CB 3.7Å; A156-A160 WeakPolarHBondContact O-CB 3.16Å; A156-A160 PolarHBondContact O-N 3.39Å; V157-A160 WeakPolarHBondContact O-CB 3.48Å; V157-A160 PolarHBondContact O-N 3.25Å; A158-A160 VanDerWaalsContact C-N 3.28Å; A158-A160 PolarHBondContact O-N 3.43Å; A160-P165 WeakPolarHBondContact O-CG 3.36Å; A160-L168 HydrophobicContact CB-CD1 3.63Å
161I97.6Very high97.6Very high12 Ų1221.8 Ų21.86%0.06211%0.107CC..Hα-helixtrans-95.8-12.7-173.770.4178.6000114.2V130 L134 V157 A158 T163 N164 L168 L192V130-I161 HydrophobicContact CG1-CD1 4.08Å; V130-I161 HydrophobicContact CG1-CG1 3.94Å; V130-I161 HydrophobicContact CG2-CG1 4.33Å; L134-I161 HydrophobicContact CD1-CD1 4.25Å; V157-I161 HydrophobicContact CG1-CD1 4.47Å; V157-I161 HydrophobicContact CG1-CG2 4.4Å; V157-I161 WeakPolarHBondContact O-CG1 3.41Å; V157-I161 PolarHBondContact O-N 2.98Å; A158-I161 PolarHBondContact O-N 2.99Å; I161-T163 PolarHBondContact O-N 2.84Å; I161-T163 VanDerWaalsContact O-N 3.11Å; I161-N164 PolarHBondContact O-N 3.34Å; I161-L168 HydrophobicContact CG2-CD1 4.18Å; I161-L168 HydrophobicContact CG2-CD2 4.14Å; I161-L192 HydrophobicContact CD1-CD1 4.28Å; I161-L192 HydrophobicContact CD1-CD2 3.69Å; I161-L192 HydrophobicContact CG2-CD1 4.16Å
162I97.6Very high97.5Very high2 Ų219.6 Ų19.61%0.0110%0.097CC..THydrogen-bonded Turntrans-59.6-25.1-174.7-164.361.5000113.8I109 P112 L113 E126 V130 A158 R159 N164I109-I162 HydrophobicContact CG2-CB 4.27Å; I109-I162 HydrophobicContact CG2-CD1 4.18Å; I109-I162 HydrophobicContact CG2-CG1 4.12Å; I109-I162 WeakPolarHBondContact O-CG2 3.42Å; P112-I162 HydrophobicContact CB-CG2 4.18Å; P112-I162 HydrophobicContact CG-CG2 4.07Å; L113-I162 HydrophobicContact CD1-CD1 4.26Å; L113-I162 HydrophobicContact CD1-CG1 3.62Å; L113-I162 HydrophobicContact CG-CG1 3.95Å; L113-I162 HydrophobicContact CG-CG2 4.32Å; E126-I162 HydrophobicContact CB-CD1 4.1Å; E126-I162 WeakPolarHBondContact O-CD1 3.28Å; V130-I162 HydrophobicContact CB-CD1 4.05Å; V130-I162 HydrophobicContact CG1-CD1 4.41Å; V130-I162 HydrophobicContact CG2-CD1 3.68Å; A158-I162 WeakPolarHBondContact O-CB 3.35Å; A158-I162 PolarHBondContact O-N 2.9Å; R159-I162 VanDerWaalsContact O-CG2 3.3Å; R159-I162 WeakPolarHBondContact O-CG2 3.41Å; I162-N164 VanDerWaalsContact C-N 3.31Å
163T96.1Very high97.5Very high30 Ų3017.1 Ų17.118%0.1849%0.086CC..THydrogen-bonded Turntrans-86.60.2178.350.50000113.3R87 P112 L113 I161R87-T163 PolarHBondContact O-OG1 2.93Å; P112-T163 HydrophobicContact CB-CG2 3.47Å; P112-T163 VanDerWaalsContact CB-CG2 3.47Å; L113-T163 HydrophobicContact CD2-CG2 4.04Å; I161-T163 PolarHBondContact O-N 2.84Å; I161-T163 VanDerWaalsContact O-N 3.11Å
164N95.9Very high97.4Very high115 Ų11517.7 Ų17.762%0.6159%0.09SC*.  trans5156.9-169.3-56.6-61.2000111.7I161 I162I161-N164 PolarHBondContact O-N 3.34Å; I162-N164 VanDerWaalsContact C-N 3.31Å
165P97.7Very high97.2Very high4 Ų416.9 Ų16.93%0.02610%0.098CC..  trans-65.6148.6-174.531.6-38.1000111.4H89 L90 A160 L167 Q197H89-P165 WeakPolarHBondContact O-CB 3.02Å; L90-P165 VanDerWaalsContact C-CB 3.47Å; A160-P165 WeakPolarHBondContact O-CG 3.36Å; P165-L167 VanDerWaalsContact C-N 3.26Å; P165-L167 PolarHBondContact O-N 2.75Å; P165-Q197 PolarHBondContact O-NE2 2.98Å
166D97.8Very high96.9Very high55 Ų5519.2 Ų19.229%0.29412%0.117SC..SBendtrans-60.7-40.6173.1-62.1-39.2000111.2L4 H89 T198L4-D166 HydrophobicContact CD1-CB 4.05Å; L4-D166 HydrophobicContact CD2-CB 4.33Å; L4-D166 WeakPolarHBondContact CD2-O 3.41Å; H89-D166 IonicContact CE1-OD2 2.75Å; H89-D166 IonicContact CG-OD2 2.71Å; H89-D166 IonicContact ND1-OD2 3.75Å; H89-D166 PolarHBondContact ND1-OD2 2.84Å; H89-D166 PolarHBondContact O-N 2.77Å; D166-T198 WeakPolarHBondContact O-CB 3.23Å; D166-T198 PolarHBondContact O-OG1 3.31Å
167L98.5Very high96.7Very high0 Ų020.4 Ų20.40%012%0.124CC..EExtended strand (participates in β ladder)trans-131.2122.9-177-17659.4000111.8L4 L5 I56 L69 H89 L90 G91 P165 L169 T198 L200L4-L167 HydrophobicContact CD2-CB 4.19Å; L4-L167 HydrophobicContact CD2-CD1 4.48Å; L5-L167 HydrophobicContact CD1-CD2 4.49Å; L5-L167 HydrophobicContact CD2-CD2 4.15Å; I56-L167 HydrophobicContact CG2-CD2 3.94Å; L69-L167 HydrophobicContact CD1-CB 4.33Å; L69-L167 HydrophobicContact CD1-CD2 4.1Å; H89-L167 PolarHBondContact O-N 3.39Å; L90-L167 WeakPolarHBondContact CA-O 3.47Å; L90-L167 HydrophobicContact CD2-CB 3.98Å; L90-L167 HydrophobicContact CD2-CD2 4.45Å; G91-L167 PolarHBondContact N-O 3.35Å; P165-L167 VanDerWaalsContact C-N 3.26Å; P165-L167 PolarHBondContact O-N 2.75Å; L167-L169 HydrophobicContact CD1-CD2 4.34Å; L167-L169 HydrophobicContact CD2-CD1 4.46Å; L167-L169 HydrophobicContact CD2-CD2 3.58Å; L167-L169 HydrophobicContact CD2-CG 4.21Å; L167-L169 HydrophobicContact CG-CD2 3.65Å; L167-L169 HydrophobicContact CG-CG 4.04Å; L167-T198 HydrophobicContact CD1-CG2 3.86Å; L167-L200 HydrophobicContact CD1-CB 4.17Å
168L98.6Very high96.5Very high0 Ų024.8 Ų24.80%015%0.147CC..EExtended strand (participates in β ladder)trans-91.8116.6170.2-177.863.9000109.7V93 A160 I161 F189 L192 Q197 T198 I199 L200V93-L168 HydrophobicContact CG2-CD1 4Å; A160-L168 HydrophobicContact CB-CD1 3.63Å; I161-L168 HydrophobicContact CG2-CD1 4.18Å; I161-L168 HydrophobicContact CG2-CD2 4.14Å; L168-F189 HydrophobicContact CD2-CE1 4.28Å; L168-F189 HydrophobicContact CD2-CZ 4.49Å; L168-L192 HydrophobicContact CD2-CD1 4.4Å; L168-Q197 HydrophobicContact CB-CG 4.07Å; L168-Q197 HydrophobicContact CD2-CG 4.46Å; L168-T198 PolarHBondContact N-O 3.39Å; L168-I199 HydrophobicContact CB-CG1 4.29Å; L168-I199 HydrophobicContact CD2-CD1 4.27Å; L168-I199 HydrophobicContact CD2-CG1 4.22Å; L168-I199 WeakPolarHBondContact O-CA 3.34Å; L168-L200 PolarHBondContact O-N 3.35Å
169L98.4Very high96.3Very high0 Ų029.9 Ų29.90%018%0.183CC..EExtended strand (participates in β ladder)trans-102.6128.1179.7-62.7176.7000108.9L53 I56 L90 G91 F92 V93 L167 L200L53-L169 HydrophobicContact CD1-CB 3.99Å; L53-L169 HydrophobicContact CD1-CD2 3.83Å; L53-L169 HydrophobicContact CD1-CG 4.39Å; L53-L169 HydrophobicContact CG-CB 4.47Å; I56-L169 HydrophobicContact CG2-CD1 3.99Å; I56-L169 HydrophobicContact CG2-CD2 4.16Å; L90-L169 HydrophobicContact CD1-CD1 4.15Å; L90-L169 HydrophobicContact CD2-CD1 4.13Å; G91-L169 PolarHBondContact O-N 2.82Å; F92-L169 WeakPolarHBondContact CA-O 3.24Å; F92-L169 HydrophobicContact CD1-CB 3.96Å; F92-L169 HydrophobicContact CE1-CB 3.55Å; F92-L169 HydrophobicContact CE1-CD1 3.92Å; F92-L169 HydrophobicContact CE1-CG 4.34Å; F92-L169 HydrophobicContact CE2-CB 4.2Å; F92-L169 HydrophobicContact CE2-CD1 3.56Å; F92-L169 HydrophobicContact CE2-CG 4.37Å; F92-L169 HydrophobicContact CG-CB 4.41Å; F92-L169 HydrophobicContact CZ-CB 3.65Å; F92-L169 HydrophobicContact CZ-CD1 3.12Å; F92-L169 HydrophobicContact CZ-CG 3.95Å; V93-L169 PolarHBondContact N-O 3.17Å; L167-L169 HydrophobicContact CD1-CD2 4.34Å; L167-L169 HydrophobicContact CD2-CD1 4.46Å; L167-L169 HydrophobicContact CD2-CD2 3.58Å; L167-L169 HydrophobicContact CD2-CG 4.21Å; L167-L169 HydrophobicContact CG-CD2 3.65Å; L167-L169 HydrophobicContact CG-CG 4.04Å; L169-L200 WeakPolarHBondContact CA-O 3.28Å; L169-L200 HydrophobicContact CD2-CB 3.81Å; L169-L200 HydrophobicContact CD2-CD2 4.03Å; L169-L200 HydrophobicContact CD2-CG 4.39Å
170A97.8Very high96.1Very high0 Ų035.2 Ų35.20%021%0.207CC..EExtended strand (participates in β ladder)trans-131.8116.4-177.700000111.9V93 P173 F189 L200 M201 V202V93-A170 HydrophobicContact CB-CB 4.19Å; V93-A170 CarbonylContact O-C 3.58Å; V93-A170 WeakPolarHBondContact O-CA 3.43Å; A170-P173 HydrophobicContact CB-CB 4.26Å; A170-P173 HydrophobicContact CB-CG 3.97Å; A170-F189 HydrophobicContact CB-CE1 3.63Å; A170-F189 HydrophobicContact CB-CZ 4Å; A170-L200 PolarHBondContact N-O 3.3Å; A170-M201 HydrophobicContact CB-CB 4.28Å; A170-M201 HydrophobicContact CB-CG 4.24Å; A170-M201 CarbonylContact O-C 3.57Å; A170-M201 WeakPolarHBondContact O-CA 3.42Å; A170-V202 WeakPolarHBondContact O-CG2 3.44Å; A170-V202 PolarHBondContact O-N 3.25Å
171D96Very high95.9Very high30 Ų3036.2 Ų36.216%0.1621%0.212CC..EExtended strand (participates in β ladder)trans-99.7105.8176.7-158.311.9000110.1S50 L53 V93 F94 Q95 V202S50-D171 PolarHBondContact OG-OD1 2.86Å; S50-D171 PolarHBondContact OG-OD2 3.39Å; L53-D171 HydrophobicContact CD2-CB 3.63Å; V93-D171 PolarHBondContact O-N 3.4Å; F94-D171 CarbonylContact C-O 3.46Å; Q95-D171 PolarHBondContact N-O 3.44Å; D171-V202 HydrophobicContact CB-CG2 4.45Å
172E95.4Very high95.9Very high16 Ų1636.4 Ų36.48%0.07522%0.215CC..SBendtrans46.853.1179-63.2-72.8-175.300113.3Q95 T174 G175 V202 T203 H204Q95-E172 HydrophobicContact CB-CB 4.12Å; Q95-E172 HydrophobicContact CG-CB 4.28Å; E172-T174 PolarHBondContact O-N 3.01Å; E172-G175 PolarHBondContact O-N 3.1Å; E172-V202 WeakPolarHBondContact CA-O 3.41Å; E172-V202 PolarHBondContact N-O 2.86Å; E172-T203 VanDerWaalsContact CD-CA 3.41Å; E172-T203 VanDerWaalsContact OE1-C 3.29Å; E172-T203 VanDerWaalsContact OE1-CA 3.27Å; E172-T203 WeakPolarHBondContact OE1-CA 3.25Å; E172-T203 VanDerWaalsContact OE2-CA 3.24Å; E172-T203 WeakPolarHBondContact OE2-CA 3.21Å; E172-T203 WeakPolarHBondContact OE2-CB 3.32Å; E172-T203 PolarHBondContact OE2-OG1 2.97Å; E172-H204 IonicContact OE1-CE1 3.01Å; E172-H204 IonicContact OE1-CG 3.47Å; E172-H204 PolarHBondContact OE1-N 3.27Å; E172-H204 IonicContact OE1-ND1 3.63Å; E172-H204 PolarHBondContact OE1-ND1 3.38Å; E172-H204 IonicContact OE2-CE1 3.01Å; E172-H204 PolarHBondContact OE2-N 2.98Å; E172-H204 IonicContact OE2-ND1 2.75Å; E172-H204 PolarHBondContact OE2-ND1 3.11Å
173P96.2Very high95.8Very high1 Ų139.3 Ų39.31%0.00623%0.228CC..THydrogen-bonded Turntrans-64.4-16.4-16828.6-37.5000113.6V93 Q153 A170 L185 F189 M201V93-P173 HydrophobicContact CG1-CB 3.93Å; Q153-P173 PolarHBondContact NE2-O 2.89Å; A170-P173 HydrophobicContact CB-CB 4.26Å; A170-P173 HydrophobicContact CB-CG 3.97Å; P173-L185 HydrophobicContact CB-CD2 4.09Å; P173-L185 VanDerWaalsContact O-CD2 3.26Å; P173-L185 WeakPolarHBondContact O-CD2 3.27Å; P173-F189 HydrophobicContact CB-CZ 4.14Å; P173-F189 HydrophobicContact CG-CE1 4.43Å; P173-F189 HydrophobicContact CG-CZ 4.33Å; P173-M201 HydrophobicContact CG-CG 4.07Å; P173-M201 HydrophobicContact CG-SD 3.56Å; P173-M201 VanDerWaalsContact CG-SD 3.56Å
174T96Very high95.7Very high12 Ų1241.1 Ų41.17%0.07424%0.235CC..THydrogen-bonded Turntrans-101.8-5.3177.355.30000113.7E172 A176 L177 L185 L186E172-T174 PolarHBondContact O-N 3.01Å; T174-A176 PolarHBondContact O-N 2.95Å; T174-A176 VanDerWaalsContact O-N 3.11Å; T174-L177 PolarHBondContact O-N 3.41Å; T174-L185 HydrophobicContact CG2-CD2 4.15Å; T174-L186 HydrophobicContact CG2-CD1 4.1Å; T174-L186 HydrophobicContact CG2-CD2 3.96Å; T174-L186 HydrophobicContact CG2-CG 3.84Å
175G92.9Very high95.7Very high37 Ų3735.8 Ų35.838%0.38121%0.206SC..THydrogen-bonded Turntrans-63.5-22.3-169.600000114.9E172E172-G175 PolarHBondContact O-N 3.1Å
176A91.6Very high95.7Very high48 Ų4835.7 Ų35.740%0.39721%0.205SC..THydrogen-bonded Turntrans-105.114178.500000113.7Q95 F97 T174Q95-A176 HydrophobicContact CG-CB 4.31Å; F97-A176 HydrophobicContact CE1-CB 4.28Å; F97-A176 HydrophobicContact CE2-CB 4.5Å; F97-A176 HydrophobicContact CZ-CB 3.77Å; T174-A176 PolarHBondContact O-N 2.95Å; T174-A176 VanDerWaalsContact O-N 3.11Å
177L94.4Very high95.6Very high26 Ų2637.9 Ų37.914%0.13621%0.214CC..SBendtrans-119.3151.2-171.9-58.8-178.1000112.1F97 G149 Q153 T174 T181 S182 L185F97-L177 HydrophobicContact CE1-CD2 4Å; F97-L177 HydrophobicContact CZ-CD2 4.22Å; G149-L177 VanDerWaalsContact C-CD2 3.41Å; Q153-L177 HydrophobicContact CB-CD1 4.16Å; Q153-L177 HydrophobicContact CB-CD2 4.4Å; Q153-L177 HydrophobicContact CG-CD1 4.13Å; T174-L177 PolarHBondContact O-N 3.41Å; L177-T181 HydrophobicContact CB-CG2 4.35Å; L177-T181 HydrophobicContact CD1-CG2 4.08Å; L177-T181 HydrophobicContact CD2-CG2 4.06Å; L177-T181 HydrophobicContact CG-CG2 4.41Å; L177-S182 WeakPolarHBondContact CB-OG 3.35Å; L177-L185 HydrophobicContact CD1-CB 4.43Å; L177-L185 HydrophobicContact CD1-CD2 3.76Å
178D94.4Very high95.5Very high91 Ų9138.9 Ų38.949%0.48722%0.219SC..  trans-69.2164.9167.467.986.5000111.2K180 T181 S182D178-K180 PolarHBondContact O-N 3.45Å; D178-K180 WeakPolarHBondContact OD1-CB 3.42Å; D178-K180 PolarHBondContact OD1-N 3.18Å; D178-K180 VanDerWaalsContact OD1-N 3.09Å; D178-T181 VanDerWaalsContact CG-OG1 3.26Å; D178-T181 PolarHBondContact O-N 3.12Å; D178-T181 PolarHBondContact OD1-N 3.12Å; D178-T181 PolarHBondContact OD1-OG1 3.21Å; D178-T181 VanDerWaalsContact OD2-CB 3.24Å; D178-T181 WeakPolarHBondContact OD2-CB 3.33Å; D178-T181 PolarHBondContact OD2-OG1 3.11Å; D178-S182 VanDerWaalsContact O-CB 3.3Å; D178-S182 WeakPolarHBondContact O-CB 3.3Å; D178-S182 PolarHBondContact O-N 2.98Å; D178-S182 PolarHBondContact O-OG 3.42Å
179S93.5Very high95.4Very high107 Ų10738.9 Ų38.975%0.74822%0.219SC*.Hα-helixtrans-59.8-40.8-174.655.20000113.6S182 E183S179-S182 PolarHBondContact O-N 3.21Å; S179-E183 PolarHBondContact O-N 3.18Å
180K94.4Very high95.3Very high148 Ų14841 Ų4164%0.64323%0.229SC*.Hα-helixtrans-68.3-43.7-179.7-178.4-179.5-179.8178.30110.9D178 S182 Q184D178-K180 PolarHBondContact O-N 3.45Å; D178-K180 WeakPolarHBondContact OD1-CB 3.42Å; D178-K180 PolarHBondContact OD1-N 3.18Å; D178-K180 VanDerWaalsContact OD1-N 3.09Å; K180-S182 VanDerWaalsContact C-N 3.35Å; K180-Q184 WeakPolarHBondContact O-CG 3.33Å; K180-Q184 PolarHBondContact O-N 3.07Å
181T94.1Very high95.3Very high26 Ų2648.7 Ų48.716%0.1626%0.258CS..Hα-helixtrans-68.6-36.9178-58.60000111.6L177 D178 Q184 L185L177-T181 HydrophobicContact CB-CG2 4.35Å; L177-T181 HydrophobicContact CD1-CG2 4.08Å; L177-T181 HydrophobicContact CD2-CG2 4.06Å; L177-T181 HydrophobicContact CG-CG2 4.41Å; D178-T181 VanDerWaalsContact CG-OG1 3.26Å; D178-T181 PolarHBondContact O-N 3.12Å; D178-T181 PolarHBondContact OD1-N 3.12Å; D178-T181 PolarHBondContact OD1-OG1 3.21Å; D178-T181 VanDerWaalsContact OD2-CB 3.24Å; D178-T181 WeakPolarHBondContact OD2-CB 3.33Å; D178-T181 PolarHBondContact OD2-OG1 3.11Å; T181-Q184 PolarHBondContact O-N 3.01Å; T181-L185 PolarHBondContact O-N 3.06Å
182S96.2Very high95.3Very high16 Ų1648.5 Ų48.511%0.11226%0.257CS..Hα-helixtrans-60.8-48.7174.8-62.70000111.5L177 D178 S179 K180 Q184 L185 L186L177-S182 WeakPolarHBondContact CB-OG 3.35Å; D178-S182 VanDerWaalsContact O-CB 3.3Å; D178-S182 WeakPolarHBondContact O-CB 3.3Å; D178-S182 PolarHBondContact O-N 2.98Å; D178-S182 PolarHBondContact O-OG 3.42Å; S179-S182 PolarHBondContact O-N 3.21Å; K180-S182 VanDerWaalsContact C-N 3.35Å; S182-Q184 VanDerWaalsContact C-N 3.34Å; S182-Q184 PolarHBondContact O-N 3.36Å; S182-L185 WeakPolarHBondContact O-CB 3.41Å; S182-L185 PolarHBondContact O-N 3.4Å; S182-L185 VanDerWaalsContact O-N 3.1Å; S182-L186 VanDerWaalsContact O-CG 3.31Å; S182-L186 WeakPolarHBondContact O-CG 3.06Å; S182-L186 PolarHBondContact O-N 2.97Å
183E96.1Very high95.4Very high63 Ų6348.1 Ų48.129%0.29426%0.255SS..Hα-helixtrans-57.5-46.1177.2177.656-15000111.7S179 L185 L186 Q187 H211S179-E183 PolarHBondContact O-N 3.18Å; E183-L185 VanDerWaalsContact C-N 3.28Å; E183-L185 PolarHBondContact O-N 3.28Å; E183-L186 PolarHBondContact O-N 3.14Å; E183-Q187 WeakPolarHBondContact O-CG 3.47Å; E183-Q187 PolarHBondContact O-N 2.89Å; E183-Q187 WeakPolarHBondContact OE1-CG 3.36Å; E183-Q187 PolarHBondContact OE1-NE2 2.94Å; E183-H211 IonicContact OE1-CE1 2.59Å; E183-H211 PolarHBondContact OE1-CE1 3.34Å; E183-H211 IonicContact OE1-NE2 3.58Å; E183-H211 IonicContact OE2-CE1 2.96Å; E183-H211 IonicContact OE2-NE2 2.71Å; E183-H211 PolarHBondContact OE2-NE2 3Å
184Q94.7Very high95.4Very high68 Ų6856.5 Ų56.532%0.31829%0.292SS..Hα-helixtrans-60.6-37.6177-70.1176.8-2.300112.7K180 T181 S182 I188K180-Q184 WeakPolarHBondContact O-CG 3.33Å; K180-Q184 PolarHBondContact O-N 3.07Å; T181-Q184 PolarHBondContact O-N 3.01Å; S182-Q184 VanDerWaalsContact C-N 3.34Å; S182-Q184 PolarHBondContact O-N 3.36Å; Q184-I188 WeakPolarHBondContact O-CG1 3.31Å; Q184-I188 PolarHBondContact O-N 2.89Å
185L96Very high95.4Very high3 Ų361.6 Ų61.62%0.01632%0.319CS..Hα-helixtrans-68-43.9175.9-174.472.5000111.4Q153 V157 P173 T174 L177 T181 S182 E183 Q187 I188 F189Q153-L185 HydrophobicContact CG-CD1 3.95Å; Q153-L185 HydrophobicContact CG-CD2 3.51Å; Q153-L185 HydrophobicContact CG-CG 4.39Å; V157-L185 HydrophobicContact CG2-CD1 3.81Å; P173-L185 HydrophobicContact CB-CD2 4.09Å; P173-L185 VanDerWaalsContact O-CD2 3.26Å; P173-L185 WeakPolarHBondContact O-CD2 3.27Å; T174-L185 HydrophobicContact CG2-CD2 4.15Å; L177-L185 HydrophobicContact CD1-CB 4.43Å; L177-L185 HydrophobicContact CD1-CD2 3.76Å; T181-L185 PolarHBondContact O-N 3.06Å; S182-L185 WeakPolarHBondContact O-CB 3.41Å; S182-L185 PolarHBondContact O-N 3.4Å; S182-L185 VanDerWaalsContact O-N 3.1Å; E183-L185 VanDerWaalsContact C-N 3.28Å; E183-L185 PolarHBondContact O-N 3.28Å; L185-Q187 VanDerWaalsContact C-N 3.29Å; L185-Q187 PolarHBondContact O-N 2.9Å; L185-I188 WeakPolarHBondContact O-CA 3.26Å; L185-I188 VanDerWaalsContact O-CB 3.27Å; L185-I188 WeakPolarHBondContact O-CB 3.41Å; L185-I188 PolarHBondContact O-N 2.92Å; L185-F189 HydrophobicContact CD1-CE2 4.14Å; L185-F189 HydrophobicContact CD2-CE2 4.49Å; L185-F189 HydrophobicContact CG-CD2 4.25Å; L185-F189 HydrophobicContact CG-CE2 4.05Å; L185-F189 WeakPolarHBondContact O-CD2 3.39Å; L185-F189 PolarHBondContact O-N 3.24Å
186L97.1Very high95.5Very high2 Ų262.1 Ų62.11%0.0132%0.324CS..Hα-helixtrans-65.7-34.1-180-67.1166.6000111.9T174 S182 E183 I188 F189 Q190 M201 I207 A208 H211T174-L186 HydrophobicContact CG2-CD1 4.1Å; T174-L186 HydrophobicContact CG2-CD2 3.96Å; T174-L186 HydrophobicContact CG2-CG 3.84Å; S182-L186 VanDerWaalsContact O-CG 3.31Å; S182-L186 WeakPolarHBondContact O-CG 3.06Å; S182-L186 PolarHBondContact O-N 2.97Å; E183-L186 PolarHBondContact O-N 3.14Å; L186-I188 VanDerWaalsContact C-N 3.34Å; L186-F189 WeakPolarHBondContact O-CB 3.46Å; L186-F189 PolarHBondContact O-N 3.06Å; L186-Q190 PolarHBondContact O-N 3.41Å; L186-M201 HydrophobicContact CD2-CE 4.4Å; L186-M201 HydrophobicContact CD2-SD 4.31Å; L186-I207 HydrophobicContact CD1-CG2 4.41Å; L186-A208 HydrophobicContact CD1-CB 4.08Å; L186-A208 HydrophobicContact CD2-CB 3.81Å; L186-H211 HydrophobicContact CB-CB 4.42Å
187Q95.8Very high95.8Very high101 Ų10161.2 Ų61.247%0.47231%0.312SS..Hα-helixtrans-63.6-37.7170.1-71.4176.25.900112.5E183 L185 Q190 R191E183-Q187 WeakPolarHBondContact O-CG 3.47Å; E183-Q187 PolarHBondContact O-N 2.89Å; E183-Q187 WeakPolarHBondContact OE1-CG 3.36Å; E183-Q187 PolarHBondContact OE1-NE2 2.94Å; L185-Q187 VanDerWaalsContact C-N 3.29Å; L185-Q187 PolarHBondContact O-N 2.9Å; Q187-Q190 PolarHBondContact O-N 3.28Å; Q187-R191 WeakPolarHBondContact O-CB 3.46Å; Q187-R191 PolarHBondContact O-N 3.35Å
188I95.6Very high96Very high22 Ų2260.2 Ų60.211%0.11331%0.307CS..Hα-helixtrans-61.3-46.8172.4-72.9163.7000110L134 R154 V157 Q184 L185 L186 Q190 R191 L192L134-I188 HydrophobicContact CD2-CB 4.42Å; L134-I188 HydrophobicContact CD2-CD1 3.93Å; L134-I188 HydrophobicContact CD2-CG1 4.29Å; L134-I188 HydrophobicContact CD2-CG2 3.33Å; R154-I188 HydrophobicContact CG-CD1 4.11Å; V157-I188 HydrophobicContact CG1-CG2 4.36Å; Q184-I188 WeakPolarHBondContact O-CG1 3.31Å; Q184-I188 PolarHBondContact O-N 2.89Å; L185-I188 WeakPolarHBondContact O-CA 3.26Å; L185-I188 VanDerWaalsContact O-CB 3.27Å; L185-I188 WeakPolarHBondContact O-CB 3.41Å; L185-I188 PolarHBondContact O-N 2.92Å; L186-I188 VanDerWaalsContact C-N 3.34Å; I188-Q190 PolarHBondContact O-N 3.34Å; I188-R191 PolarHBondContact O-N 3.47Å; I188-R191 VanDerWaalsContact O-N 3.16Å; I188-L192 HydrophobicContact CG2-CD1 3.98Å; I188-L192 HydrophobicContact CG2-CG 4.34Å; I188-L192 WeakPolarHBondContact O-CG 3.49Å; I188-L192 PolarHBondContact O-N 3.32Å
189F97.5Very high96.2Very high0 Ų055.9 Ų55.90%028%0.284CS..Hα-helixtrans-59.7-44.7177.7-86.8-124.4000111.9Y38 V93 V157 L168 A170 P173 L185 L186 R191 L192 N193 I199Y38-F189 HydrophobicContact CE1-CB 4.04Å; Y38-F189 HydrophobicContact CE2-CD1 4.49Å; V93-F189 HydrophobicContact CB-CZ 4.4Å; V93-F189 HydrophobicContact CG1-CZ 4.33Å; V93-F189 HydrophobicContact CG2-CZ 4.25Å; V157-F189 HydrophobicContact CG2-CE2 3.7Å; V157-F189 HydrophobicContact CG2-CZ 4.32Å; L168-F189 HydrophobicContact CD2-CE1 4.28Å; L168-F189 HydrophobicContact CD2-CZ 4.49Å; A170-F189 HydrophobicContact CB-CE1 3.63Å; A170-F189 HydrophobicContact CB-CZ 4Å; P173-F189 HydrophobicContact CB-CZ 4.14Å; P173-F189 HydrophobicContact CG-CE1 4.43Å; P173-F189 HydrophobicContact CG-CZ 4.33Å; L185-F189 HydrophobicContact CD1-CE2 4.14Å; L185-F189 HydrophobicContact CD2-CE2 4.49Å; L185-F189 HydrophobicContact CG-CD2 4.25Å; L185-F189 HydrophobicContact CG-CE2 4.05Å; L185-F189 WeakPolarHBondContact O-CD2 3.39Å; L185-F189 PolarHBondContact O-N 3.24Å; L186-F189 WeakPolarHBondContact O-CB 3.46Å; L186-F189 PolarHBondContact O-N 3.06Å; F189-R191 VanDerWaalsContact C-N 3.31Å; F189-R191 PolarHBondContact O-N 3.2Å; F189-L192 PolarHBondContact O-N 3.1Å; F189-N193 PolarHBondContact O-N 3.06Å; F189-I199 HydrophobicContact CB-CD1 4.25Å; F189-I199 HydrophobicContact CD1-CD1 4.07Å; F189-I199 HydrophobicContact CD1-CG2 3.92Å; F189-I199 HydrophobicContact CE1-CG2 4.16Å; F189-I199 HydrophobicContact CG-CD1 4.44Å; F189-I199 VanDerWaalsContact O-CD1 3.32Å; F189-I199 WeakPolarHBondContact O-CD1 3.43Å
190Q96.5Very high96.5Very high45 Ų4550.8 Ų50.821%0.2125%0.248CC..Hα-helixtrans-59.7-41.8174.8-77-175.3-40.800112.1Y38 L186 Q187 I188 N193 F194 H211 N234Y38-Q190 HydrophobicContact CE1-CG 4.24Å; L186-Q190 PolarHBondContact O-N 3.41Å; Q187-Q190 PolarHBondContact O-N 3.28Å; I188-Q190 PolarHBondContact O-N 3.34Å; Q190-N193 PolarHBondContact O-N 3.39Å; Q190-F194 WeakPolarHBondContact O-CB 3.29Å; Q190-F194 PolarHBondContact O-N 3.23Å; Q190-H211 HydrophobicContact CG-CB 3.85Å; Q190-H211 VanDerWaalsContact NE2-CA 3.31Å; Q190-H211 PolarHBondContact NE2-ND1 2.93Å; Q190-H211 PolarHBondContact NE2-O 3.25Å; Q190-H211 VanDerWaalsContact NE2-O 3.1Å; Q190-H211 PolarHBondContact OE1-ND1 3.01Å; Q190-N234 PolarHBondContact NE2-OD1 2.96Å
191R95.9Very high96.6Very high160 Ų16043.8 Ų43.860%0.60422%0.217SC*.Hα-helixtrans-67.1-40.9177.8-171.2176.6-177.2-171.51.2112.4Q187 I188 F189 N193 F194 N195Q187-R191 WeakPolarHBondContact O-CB 3.46Å; Q187-R191 PolarHBondContact O-N 3.35Å; I188-R191 PolarHBondContact O-N 3.47Å; I188-R191 VanDerWaalsContact O-N 3.16Å; F189-R191 VanDerWaalsContact C-N 3.31Å; F189-R191 PolarHBondContact O-N 3.2Å; R191-N193 VanDerWaalsContact C-N 3.34Å; R191-F194 PolarHBondContact O-N 2.91Å; R191-N195 VanDerWaalsContact O-CG 3.27Å; R191-N195 PolarHBondContact O-N 3.18Å; R191-N195 PolarHBondContact O-ND2 2.85Å
192L96.7Very high96.8Very high26 Ų2642.5 Ų42.514%0.13621%0.21CC..Hα-helixtrans-60-46.7174-70.4171.4000110.6V157 I161 L168 I188 F189 N195 G196 Q197 I199V157-L192 HydrophobicContact CG1-CD1 4Å; I161-L192 HydrophobicContact CD1-CD1 4.28Å; I161-L192 HydrophobicContact CD1-CD2 3.69Å; I161-L192 HydrophobicContact CG2-CD1 4.16Å; L168-L192 HydrophobicContact CD2-CD1 4.4Å; I188-L192 HydrophobicContact CG2-CD1 3.98Å; I188-L192 HydrophobicContact CG2-CG 4.34Å; I188-L192 WeakPolarHBondContact O-CG 3.49Å; I188-L192 PolarHBondContact O-N 3.32Å; F189-L192 PolarHBondContact O-N 3.1Å; L192-N195 CarbonylContact O-C 3.42Å; L192-N195 PolarHBondContact O-N 2.75Å; L192-G196 PolarHBondContact O-N 3.23Å; L192-Q197 HydrophobicContact CB-CB 4.19Å; L192-Q197 VanDerWaalsContact O-CB 3.3Å; L192-Q197 WeakPolarHBondContact O-CB 3.4Å; L192-Q197 PolarHBondContact O-N 3.47Å; L192-Q197 VanDerWaalsContact O-N 3.12Å; L192-I199 HydrophobicContact CB-CD1 4.41Å
193N97.8Very high96.8Very high8 Ų841.8 Ų41.84%0.04321%0.205CC..Hα-helixtrans-65.3-39.8177.4-179.7-110.1000113.2G36 D37 Y38 F189 Q190 R191 N195 G196 Q197 I199 K213G36-N193 PolarHBondContact O-ND2 2.98Å; D37-N193 VanDerWaalsContact C-ND2 3.29Å; D37-N193 PolarHBondContact O-ND2 3.41Å; D37-N193 VanDerWaalsContact O-ND2 3.16Å; Y38-N193 HydrophobicContact CD1-CB 4.2Å; Y38-N193 HydrophobicContact CG-CB 4.44Å; F189-N193 PolarHBondContact O-N 3.06Å; Q190-N193 PolarHBondContact O-N 3.39Å; R191-N193 VanDerWaalsContact C-N 3.34Å; N193-N195 PolarHBondContact O-N 3.02Å; N193-G196 PolarHBondContact O-N 3.03Å; N193-Q197 WeakPolarHBondContact CA-O 3.36Å; N193-Q197 PolarHBondContact ND2-O 3.03Å; N193-I199 HydrophobicContact CB-CD1 3.88Å; N193-I199 HydrophobicContact CB-CG1 4.4Å; N193-K213 WeakPolarHBondContact OD1-CE 3.24Å; N193-K213 PolarHBondContact OD1-NZ 2.86Å
194F96.2Very high96.6Very high178 Ų17844.6 Ų44.678%0.78122%0.217SC*.Hα-helixtrans-59-34.2174.2-177.4-94.2000111.8Q190 R191 G196Q190-F194 WeakPolarHBondContact O-CB 3.29Å; Q190-F194 PolarHBondContact O-N 3.23Å; R191-F194 PolarHBondContact O-N 2.91Å; F194-G196 PolarHBondContact O-N 3.42Å
195N95.3Very high96.6Very high118 Ų11843 Ų4363%0.63121%0.214SC*.THydrogen-bonded Turntrans-816.7174.9-65.6-20.5000113.9R191 L192 N193R191-N195 VanDerWaalsContact O-CG 3.27Å; R191-N195 PolarHBondContact O-N 3.18Å; R191-N195 PolarHBondContact O-ND2 2.85Å; L192-N195 CarbonylContact O-C 3.42Å; L192-N195 PolarHBondContact O-N 2.75Å; N193-N195 PolarHBondContact O-N 3.02Å
196G96Very high96.6Very high48 Ų4843.9 Ų43.950%0.49522%0.221SC..THydrogen-bonded Turntrans103.3-2.8172.500000115.9L192 N193 F194 T198L192-G196 PolarHBondContact O-N 3.23Å; N193-G196 PolarHBondContact O-N 3.03Å; F194-G196 PolarHBondContact O-N 3.42Å; G196-T198 PolarHBondContact O-N 3.3Å
197Q97.8Very high96.6Very high29 Ų2948.1 Ų48.114%0.13624%0.242CC..  trans-65.5127.5176.4-17763.964.300110.8P165 L168 L192 N193 I199P165-Q197 PolarHBondContact O-NE2 2.98Å; L168-Q197 HydrophobicContact CB-CG 4.07Å; L168-Q197 HydrophobicContact CD2-CG 4.46Å; L192-Q197 HydrophobicContact CB-CB 4.19Å; L192-Q197 VanDerWaalsContact O-CB 3.3Å; L192-Q197 WeakPolarHBondContact O-CB 3.4Å; L192-Q197 PolarHBondContact O-N 3.47Å; L192-Q197 VanDerWaalsContact O-N 3.12Å; N193-Q197 WeakPolarHBondContact CA-O 3.36Å; N193-Q197 PolarHBondContact ND2-O 3.03Å; Q197-I199 HydrophobicContact CG-CG1 4.04Å
198T98.5Very high96.6Very high6 Ų643.3 Ų43.34%0.03722%0.22CC..EExtended strand (participates in β ladder)trans-78.1131.2169.5-42.60000109.6L4 V33 D34 G36 D37 D166 L167 L168 G196L4-T198 HydrophobicContact CD2-CG2 3.78Å; L4-T198 WeakPolarHBondContact CD2-OG1 3.39Å; V33-T198 HydrophobicContact CG1-CG2 3.58Å; D34-T198 WeakPolarHBondContact O-CG2 3.43Å; G36-T198 PolarHBondContact N-OG1 2.86Å; D37-T198 HydrophobicContact CB-CG2 4.47Å; D37-T198 CarbonylContact O-C 3.56Å; D37-T198 WeakPolarHBondContact O-CA 3.45Å; D166-T198 WeakPolarHBondContact O-CB 3.23Å; D166-T198 PolarHBondContact O-OG1 3.31Å; L167-T198 HydrophobicContact CD1-CG2 3.86Å; L168-T198 PolarHBondContact N-O 3.39Å; G196-T198 PolarHBondContact O-N 3.3Å
199I98.7Very high96.7Very high0 Ų042.2 Ų42.20%021%0.214CC..EExtended strand (participates in β ladder)trans-129.7129.9-175.6-52.1-176.7000110.2D37 Y38 V39 L168 F189 L192 N193 Q197D37-I199 PolarHBondContact O-N 3Å; Y38-I199 WeakPolarHBondContact CA-O 3.39Å; Y38-I199 HydrophobicContact CD2-CB 3.64Å; Y38-I199 HydrophobicContact CD2-CG2 3.63Å; Y38-I199 HydrophobicContact CE2-CB 4.08Å; Y38-I199 HydrophobicContact CE2-CG2 3.55Å; Y38-I199 HydrophobicContact CG-CB 4.15Å; Y38-I199 HydrophobicContact CG-CD1 4.49Å; V39-I199 PolarHBondContact N-O 3.15Å; L168-I199 HydrophobicContact CB-CG1 4.29Å; L168-I199 HydrophobicContact CD2-CD1 4.27Å; L168-I199 HydrophobicContact CD2-CG1 4.22Å; L168-I199 WeakPolarHBondContact O-CA 3.34Å; F189-I199 HydrophobicContact CB-CD1 4.25Å; F189-I199 HydrophobicContact CD1-CD1 4.07Å; F189-I199 HydrophobicContact CD1-CG2 3.92Å; F189-I199 HydrophobicContact CE1-CG2 4.16Å; F189-I199 HydrophobicContact CG-CD1 4.44Å; F189-I199 VanDerWaalsContact O-CD1 3.32Å; F189-I199 WeakPolarHBondContact O-CD1 3.43Å; L192-I199 HydrophobicContact CB-CD1 4.41Å; N193-I199 HydrophobicContact CB-CD1 3.88Å; N193-I199 HydrophobicContact CB-CG1 4.4Å; Q197-I199 HydrophobicContact CG-CG1 4.04Å
200L98.5Very high96.7Very high0 Ų042.4 Ų42.40%022%0.215CC..EExtended strand (participates in β ladder)trans-120.5110.9166.6-17567.7000109.2L5 L31 V33 V39 I41 I56 L167 L168 L169 A170L5-L200 HydrophobicContact CD2-CD2 4.11Å; L31-L200 HydrophobicContact CD2-CD2 4.49Å; V33-L200 HydrophobicContact CG2-CD1 4.33Å; V39-L200 HydrophobicContact CB-CD1 3.68Å; V39-L200 HydrophobicContact CG1-CD1 3.7Å; V39-L200 WeakPolarHBondContact O-CA 3.3Å; I41-L200 HydrophobicContact CD1-CD1 3.68Å; I41-L200 HydrophobicContact CD1-CD2 4.14Å; I41-L200 HydrophobicContact CD1-CG 4.07Å; I41-L200 HydrophobicContact CG1-CD1 3.95Å; I56-L200 HydrophobicContact CD1-CD2 3.6Å; L167-L200 HydrophobicContact CD1-CB 4.17Å; L168-L200 PolarHBondContact O-N 3.35Å; L169-L200 WeakPolarHBondContact CA-O 3.28Å; L169-L200 HydrophobicContact CD2-CB 3.81Å; L169-L200 HydrophobicContact CD2-CD2 4.03Å; L169-L200 HydrophobicContact CD2-CG 4.39Å; A170-L200 PolarHBondContact N-O 3.3Å
201M98.3Very high96.8Very high0 Ų040.5 Ų40.50%021%0.206CC..EExtended strand (participates in β ladder)trans-108.3136.7-179.7178.8171.863.600110.2Y38 V39 A40 I41 A170 P173 L186 T203 A208Y38-M201 HydrophobicContact CE2-CB 4.08Å; Y38-M201 HydrophobicContact CE2-CE 4.05Å; Y38-M201 WeakPolarHBondContact OH-CE 3.36Å; V39-M201 PolarHBondContact O-N 2.97Å; A40-M201 CarbonylContact C-O 3.56Å; A40-M201 VanDerWaalsContact CA-O 3.24Å; A40-M201 WeakPolarHBondContact CA-O 3.43Å; A40-M201 HydrophobicContact CB-CE 4.22Å; I41-M201 PolarHBondContact N-O 3.15Å; A170-M201 HydrophobicContact CB-CB 4.28Å; A170-M201 HydrophobicContact CB-CG 4.24Å; A170-M201 CarbonylContact O-C 3.57Å; A170-M201 WeakPolarHBondContact O-CA 3.42Å; P173-M201 HydrophobicContact CG-CG 4.07Å; P173-M201 HydrophobicContact CG-SD 3.56Å; P173-M201 VanDerWaalsContact CG-SD 3.56Å; L186-M201 HydrophobicContact CD2-CE 4.4Å; L186-M201 HydrophobicContact CD2-SD 4.31Å; M201-T203 HydrophobicContact CE-CG2 4.1Å; M201-A208 HydrophobicContact CE-CB 4.03Å; M201-A208 VanDerWaalsContact CE-O 3.24Å; M201-A208 WeakPolarHBondContact CE-O 3.26Å; M201-A208 HydrophobicContact SD-CB 4.41Å
202V97.3Very high96.9Very high0 Ų032.9 Ų32.90%018%0.178CC..EExtended strand (participates in β ladder)trans-103.2129167.2-114.60000107.9I41 K49 L53 A170 D171 E172I41-V202 HydrophobicContact CB-CG1 3.72Å; I41-V202 HydrophobicContact CG2-CG1 3.86Å; I41-V202 WeakPolarHBondContact O-CA 3.4Å; K49-V202 HydrophobicContact CB-CB 4.43Å; K49-V202 HydrophobicContact CB-CG1 3.47Å; K49-V202 VanDerWaalsContact CB-CG1 3.47Å; K49-V202 HydrophobicContact CD-CG1 3.98Å; K49-V202 HydrophobicContact CG-CG1 3.8Å; L53-V202 HydrophobicContact CB-CG2 3.93Å; L53-V202 HydrophobicContact CD1-CG2 3.67Å; L53-V202 HydrophobicContact CD2-CG2 3.76Å; L53-V202 HydrophobicContact CG-CG2 3.98Å; A170-V202 WeakPolarHBondContact O-CG2 3.44Å; A170-V202 PolarHBondContact O-N 3.25Å; D171-V202 HydrophobicContact CB-CG2 4.45Å; E172-V202 WeakPolarHBondContact CA-O 3.41Å; E172-V202 PolarHBondContact N-O 2.86Å
203T95.4Very high96.9Very high0 Ų036.1 Ų36.10%019%0.191CC..  trans-154.2152.9177.1-170.60000113.8I41 M42 E172 M201 S205 A208 A209I41-T203 PolarHBondContact O-N 3.3Å; M42-T203 VanDerWaalsContact CA-O 3.28Å; M42-T203 WeakPolarHBondContact CA-O 3.2Å; M42-T203 HydrophobicContact CG-CG2 4.47Å; E172-T203 VanDerWaalsContact CD-CA 3.41Å; E172-T203 VanDerWaalsContact OE1-C 3.29Å; E172-T203 VanDerWaalsContact OE1-CA 3.27Å; E172-T203 WeakPolarHBondContact OE1-CA 3.25Å; E172-T203 VanDerWaalsContact OE2-CA 3.24Å; E172-T203 WeakPolarHBondContact OE2-CA 3.21Å; E172-T203 WeakPolarHBondContact OE2-CB 3.32Å; E172-T203 PolarHBondContact OE2-OG1 2.97Å; M201-T203 HydrophobicContact CE-CG2 4.1Å; T203-S205 PolarHBondContact OG1-N 2.96Å; T203-A208 HydrophobicContact CG2-CB 3.99Å; T203-A209 HydrophobicContact CG2-CB 4.1Å
204H93Very high97Very high122 Ų12237 Ų3757%0.56519%0.193SC*.SBendtrans-95.5-7163.865.1-79.8000113E172E172-H204 IonicContact OE1-CE1 3.01Å; E172-H204 IonicContact OE1-CG 3.47Å; E172-H204 PolarHBondContact OE1-N 3.27Å; E172-H204 IonicContact OE1-ND1 3.63Å; E172-H204 PolarHBondContact OE1-ND1 3.38Å; E172-H204 IonicContact OE2-CE1 3.01Å; E172-H204 PolarHBondContact OE2-N 2.98Å; E172-H204 IonicContact OE2-ND1 2.75Å; E172-H204 PolarHBondContact OE2-ND1 3.11Å
205S94.4Very high97Very high34 Ų3428.5 Ų28.524%0.23816%0.156CC..  trans-84.2118.1-179.6173.50000111.3T203 I207 A208 A209T203-S205 PolarHBondContact OG1-N 2.96Å; S205-I207 PolarHBondContact O-N 3.32Å; S205-I207 PolarHBondContact OG-N 3.38Å; S205-A208 PolarHBondContact O-N 3.33Å; S205-A208 PolarHBondContact OG-N 3.46Å; S205-A208 VanDerWaalsContact OG-N 3.17Å; S205-A209 PolarHBondContact O-N 3Å
206S96.1Very high97.1Very high23 Ų2323 Ų2316%0.16113%0.127CC..Hα-helixtrans-63.5-33173.655.80000112A209 S210 L238 N242S206-A209 PolarHBondContact O-N 3.13Å; S206-S210 WeakPolarHBondContact O-CB 3.48Å; S206-S210 PolarHBondContact O-N 2.95Å; S206-L238 VanDerWaalsContact C-CD1 3.44Å; S206-L238 WeakPolarHBondContact O-CD1 3.36Å; S206-L238 WeakPolarHBondContact OG-CD1 3.43Å; S206-N242 WeakPolarHBondContact CB-OD1 3.25Å; S206-N242 PolarHBondContact OG-OD1 2.94Å
207I96.5Very high97.1Very high90 Ų9021 Ų2146%0.46210%0.104SC..Hα-helixtrans-59.8-53.3172.5-62173.5000109.5L186 S205 A209 S210 H211 L238L186-I207 HydrophobicContact CD1-CG2 4.41Å; S205-I207 PolarHBondContact O-N 3.32Å; S205-I207 PolarHBondContact OG-N 3.38Å; I207-A209 VanDerWaalsContact C-N 3.35Å; I207-A209 PolarHBondContact O-N 3.4Å; I207-S210 WeakPolarHBondContact O-CB 3.36Å; I207-S210 PolarHBondContact O-N 3.37Å; I207-S210 VanDerWaalsContact O-N 3.17Å; I207-S210 PolarHBondContact O-OG 3.27Å; I207-H211 PolarHBondContact O-CD2 3.17Å; I207-L238 HydrophobicContact CG1-CD1 4.31Å; I207-L238 HydrophobicContact CG1-CD2 4.25Å
208A97.2Very high96.9Very high0 Ų019.9 Ų19.90%010%0.099CC..Hα-helixtrans-59.9-45179.400000111.9L186 M201 T203 S205 S210 H211L186-A208 HydrophobicContact CD1-CB 4.08Å; L186-A208 HydrophobicContact CD2-CB 3.81Å; M201-A208 HydrophobicContact CE-CB 4.03Å; M201-A208 VanDerWaalsContact CE-O 3.24Å; M201-A208 WeakPolarHBondContact CE-O 3.26Å; M201-A208 HydrophobicContact SD-CB 4.41Å; T203-A208 HydrophobicContact CG2-CB 3.99Å; S205-A208 PolarHBondContact O-N 3.33Å; S205-A208 PolarHBondContact OG-N 3.46Å; S205-A208 VanDerWaalsContact OG-N 3.17Å; A208-S210 VanDerWaalsContact C-N 3.27Å; A208-S210 PolarHBondContact O-N 2.93Å; A208-H211 PolarHBondContact O-N 3.06Å
209A97.8Very high96.6Very high0 Ų022.3 Ų22.30%011%0.109CC..Hα-helixtrans-62-31.6178.300000113.5A40 M42 T203 S205 S206 I207 H211 A212 V215 I241A40-A209 HydrophobicContact CB-CB 3.92Å; M42-A209 HydrophobicContact CE-CB 4.19Å; M42-A209 HydrophobicContact CG-CB 3.77Å; M42-A209 HydrophobicContact SD-CB 3.27Å; M42-A209 WeakPolarHBondContact SD-CB 3.46Å; T203-A209 HydrophobicContact CG2-CB 4.1Å; S205-A209 PolarHBondContact O-N 3Å; S206-A209 PolarHBondContact O-N 3.13Å; I207-A209 VanDerWaalsContact C-N 3.35Å; I207-A209 PolarHBondContact O-N 3.4Å; A209-H211 PolarHBondContact O-N 3.04Å; A209-H211 VanDerWaalsContact O-N 3.15Å; A209-A212 VanDerWaalsContact O-CB 3.29Å; A209-A212 WeakPolarHBondContact O-CB 3.37Å; A209-A212 PolarHBondContact O-N 2.88Å; A209-V215 HydrophobicContact CB-CG1 4.41Å; A209-V215 HydrophobicContact CB-CG2 4.14Å; A209-I241 HydrophobicContact CB-CD1 4.19Å
210S97.8Very high96.2Very high4 Ų427 Ų273%0.02813%0.134CC..Hα-helixtrans-63.7-18.5178.577.60000114S206 I207 A208 A212 N234S206-S210 WeakPolarHBondContact O-CB 3.48Å; S206-S210 PolarHBondContact O-N 2.95Å; I207-S210 WeakPolarHBondContact O-CB 3.36Å; I207-S210 PolarHBondContact O-N 3.37Å; I207-S210 VanDerWaalsContact O-N 3.17Å; I207-S210 PolarHBondContact O-OG 3.27Å; A208-S210 VanDerWaalsContact C-N 3.27Å; A208-S210 PolarHBondContact O-N 2.93Å; S210-A212 VanDerWaalsContact C-N 3.31Å; S210-N234 WeakPolarHBondContact CB-O 3.48Å
211H97.9Very high95.9Very high4 Ų427 Ų272%0.01914%0.135CC..THydrogen-bonded Turntrans-77.8-18.4174.9-74.5-108.2000113.1Y38 E183 L186 Q190 I207 A208 A209 N234Y38-H211 WeakPolarHBondContact CD1-O 3.3Å; Y38-H211 HydrophobicContact CE1-CB 4.17Å; E183-H211 IonicContact OE1-CE1 2.59Å; E183-H211 PolarHBondContact OE1-CE1 3.34Å; E183-H211 IonicContact OE1-NE2 3.58Å; E183-H211 IonicContact OE2-CE1 2.96Å; E183-H211 IonicContact OE2-NE2 2.71Å; E183-H211 PolarHBondContact OE2-NE2 3Å; L186-H211 HydrophobicContact CB-CB 4.42Å; Q190-H211 HydrophobicContact CG-CB 3.85Å; Q190-H211 VanDerWaalsContact NE2-CA 3.31Å; Q190-H211 PolarHBondContact NE2-ND1 2.93Å; Q190-H211 PolarHBondContact NE2-O 3.25Å; Q190-H211 VanDerWaalsContact NE2-O 3.1Å; Q190-H211 PolarHBondContact OE1-ND1 3.01Å; I207-H211 PolarHBondContact O-CD2 3.17Å; A208-H211 PolarHBondContact O-N 3.06Å; A209-H211 PolarHBondContact O-N 3.04Å; A209-H211 VanDerWaalsContact O-N 3.15Å; H211-N234 PolarHBondContact CE1-ND2 2.95Å; H211-N234 VanDerWaalsContact CE1-ND2 3.26Å; H211-N234 PolarHBondContact ND1-ND2 3.24Å
212A98.2Very high95.8Very high0 Ų031.6 Ų31.60%016%0.156CC..SBendtrans-75.7162.9178.400000112Y38 A40 A209 S210Y38-A212 HydrophobicContact CD1-CB 4.48Å; Y38-A212 HydrophobicContact CD2-CB 3.95Å; Y38-A212 HydrophobicContact CE2-CB 4.17Å; Y38-A212 HydrophobicContact CG-CB 4.11Å; Y38-A212 WeakPolarHBondContact O-CB 3.27Å; A40-A212 HydrophobicContact CB-CB 3.72Å; A209-A212 VanDerWaalsContact O-CB 3.29Å; A209-A212 WeakPolarHBondContact O-CB 3.37Å; A209-A212 PolarHBondContact O-N 2.88Å; S210-A212 VanDerWaalsContact C-N 3.31Å
213K97.1Very high95.6Very high94 Ų9434 Ų3441%0.40917%0.17SC..SBendtrans-86.6-24.5173.9-66.4174.7179.4163.80112.1G36 Y38 N193 R229G36-K213 PolarHBondContact O-NZ 2.9Å; Y38-K213 PolarHBondContact O-N 3.47Å; N193-K213 WeakPolarHBondContact OD1-CE 3.24Å; N193-K213 PolarHBondContact OD1-NZ 2.86Å; K213-R229 VanDerWaalsContact O-CB 3.28Å; K213-R229 WeakPolarHBondContact O-CB 3.37Å; K213-R229 PolarHBondContact O-N 3.35Å
214R98.1Very high95.4Very high26 Ų2640.1 Ų40.110%0.09820%0.195CC..EExtended strand (participates in β ladder)trans-141.3139.9-179.4-177.9-177.6177.9-168.8-4.2109.5S32 Y38 V39 A40 L216 L227 Y228S32-R214 PolarHBondContact O-NH1 3.38Å; Y38-R214 PolarHBondContact O-N 3.15Å; V39-R214 CarbonylContact C-O 3.52Å; V39-R214 WeakPolarHBondContact CA-O 3.3Å; V39-R214 HydrophobicContact CG2-CB 4.37Å; A40-R214 PolarHBondContact N-O 2.89Å; R214-L216 HydrophobicContact CG-CD1 4.37Å; R214-L227 CarbonylContact C-O 3.58Å; R214-L227 VanDerWaalsContact CA-O 3.31Å; R214-L227 WeakPolarHBondContact CA-O 3.37Å; R214-Y228 HydrophobicContact CB-CD1 4.29Å; R214-Y228 HydrophobicContact CB-CE1 4.42Å; R214-Y228 HydrophobicContact CG-CD1 4.05Å; R214-Y228 HydrophobicContact CG-CE1 3.85Å; R214-Y228 PolarHBondContact NE-OH 3.3Å
215V98.2Very high95.4Very high0 Ų038.1 Ų38.10%019%0.185CC..EExtended strand (participates in β ladder)trans-122.3126.8175.4-177.10000108.7A40 M42 A209 F217 Q226 L227 F237 I241A40-V215 HydrophobicContact CB-CG2 4.32Å; A40-V215 CarbonylContact O-C 3.59Å; A40-V215 VanDerWaalsContact O-CA 3.26Å; A40-V215 WeakPolarHBondContact O-CA 3.27Å; M42-V215 HydrophobicContact CB-CG1 4.26Å; M42-V215 HydrophobicContact CG-CG1 3.73Å; M42-V215 HydrophobicContact SD-CG1 3.73Å; A209-V215 HydrophobicContact CB-CG1 4.41Å; A209-V215 HydrophobicContact CB-CG2 4.14Å; V215-F217 HydrophobicContact CB-CE2 4.25Å; V215-F217 HydrophobicContact CG1-CD2 4.31Å; V215-F217 HydrophobicContact CG1-CE1 4.35Å; V215-F217 HydrophobicContact CG1-CE2 3.71Å; V215-F217 HydrophobicContact CG1-CZ 3.75Å; V215-Q226 CarbonylContact O-C 3.58Å; V215-Q226 WeakPolarHBondContact O-CA 3.13Å; V215-L227 HydrophobicContact CB-CB 4.49Å; V215-L227 PolarHBondContact N-O 2.95Å; V215-L227 PolarHBondContact O-N 3.11Å; V215-F237 HydrophobicContact CB-CZ 4.47Å; V215-F237 HydrophobicContact CG2-CE1 3.69Å; V215-F237 HydrophobicContact CG2-CZ 3.72Å; V215-I241 HydrophobicContact CG2-CD1 3.89Å; V215-I241 HydrophobicContact CG2-CG1 4.27Å
216L97.1Very high95.5Very high3 Ų340.3 Ų40.32%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-104.9140168.3-6598.9000109.5L31 V39 A40 I41 M42 R214 V223 Q226L31-L216 HydrophobicContact CD1-CD1 3.67Å; L31-L216 HydrophobicContact CD1-CD2 3.56Å; L31-L216 HydrophobicContact CD1-CG 4.28Å; V39-L216 HydrophobicContact CG1-CD1 3.13Å; A40-L216 PolarHBondContact O-N 3.33Å; I41-L216 CarbonylContact C-O 3.53Å; I41-L216 WeakPolarHBondContact CA-O 2.89Å; M42-L216 PolarHBondContact N-O 3.38Å; R214-L216 HydrophobicContact CG-CD1 4.37Å; L216-V223 HydrophobicContact CD2-CG1 3.89Å; L216-V223 HydrophobicContact CD2-CG2 4.37Å; L216-Q226 HydrophobicContact CG-CB 4.32Å
217F96Very high95.6Very high6 Ų640.3 Ų40.33%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-105.8118.7175.7-62.9-95.3000108.7M42 V215 Y224 H225 L227 I241 T244 L245 L248M42-F217 HydrophobicContact CB-CD1 4.06Å; M42-F217 HydrophobicContact CB-CE1 4.21Å; M42-F217 CarbonylContact O-C 3.49Å; M42-F217 WeakPolarHBondContact O-CA 3.42Å; M42-F217 HydrophobicContact SD-CE1 4.07Å; M42-F217 HydrophobicContact SD-CZ 4.43Å; V215-F217 HydrophobicContact CB-CE2 4.25Å; V215-F217 HydrophobicContact CG1-CD2 4.31Å; V215-F217 HydrophobicContact CG1-CE1 4.35Å; V215-F217 HydrophobicContact CG1-CE2 3.71Å; V215-F217 HydrophobicContact CG1-CZ 3.75Å; F217-Y224 PolarHBondContact O-N 2.82Å; F217-H225 HydrophobicContact CB-CB 4.25Å; F217-H225 HydrophobicContact CD2-CB 4.11Å; F217-H225 HydrophobicContact CG-CB 4.49Å; F217-H225 PolarHBondContact N-O 3.07Å; F217-L227 HydrophobicContact CE2-CD1 3.62Å; F217-L227 HydrophobicContact CE2-CG 3.79Å; F217-L227 HydrophobicContact CZ-CD1 3.8Å; F217-L227 HydrophobicContact CZ-CG 4.47Å; F217-I241 HydrophobicContact CE1-CG2 4.49Å; F217-I241 HydrophobicContact CZ-CG2 4.24Å; F217-T244 HydrophobicContact CD2-CG2 4.43Å; F217-T244 HydrophobicContact CE1-CG2 4.36Å; F217-T244 HydrophobicContact CE2-CG2 4Å; F217-T244 HydrophobicContact CZ-CG2 3.94Å; F217-L245 HydrophobicContact CD1-CD2 4.05Å; F217-L245 HydrophobicContact CE1-CD2 3.73Å; F217-L245 HydrophobicContact CE1-CG 4Å; F217-L248 HydrophobicContact CB-CD1 4.23Å; F217-L248 HydrophobicContact CD1-CD1 3.87Å; F217-L248 HydrophobicContact CE1-CD1 4.49Å; F217-L248 HydrophobicContact CG-CD1 4.07Å
218I93.9Very high95.6Very high5 Ų542.4 Ų42.43%0.02619%0.193CC..EExtended strand (participates in β ladder)trans-102.7133.8174.1-64-176.1000109.5I29 I41 M42 G43 S47 L52 Q222 V223I29-I218 HydrophobicContact CD1-CD1 4.26Å; I41-I218 HydrophobicContact CG2-CB 4.43Å; I41-I218 HydrophobicContact CG2-CD1 3.38Å; I41-I218 HydrophobicContact CG2-CG1 3.75Å; M42-I218 PolarHBondContact O-N 3.41Å; G43-I218 VanDerWaalsContact CA-O 3.29Å; G43-I218 WeakPolarHBondContact CA-O 3.36Å; S47-I218 WeakPolarHBondContact O-CG2 3.4Å; L52-I218 HydrophobicContact CD2-CD1 3.62Å; I218-Q222 CarbonylContact C-O 3.57Å; I218-Q222 VanDerWaalsContact CA-O 3.23Å; I218-Q222 WeakPolarHBondContact CA-O 3.24Å; I218-V223 HydrophobicContact CG1-CG2 4.32Å
219K91.3Very high95.6Very high57 Ų5744.6 Ų44.625%0.24820%0.201CC..EExtended strand (participates in β ladder)trans-142.5134.9175.4-176.4173.9175.4175.70109.3G221 Q222 E252K219-G221 PolarHBondContact O-N 2.98Å; K219-G221 VanDerWaalsContact O-N 3.09Å; K219-Q222 PolarHBondContact N-O 3.45Å; K219-Q222 PolarHBondContact O-N 3.05Å; K219-E252 WeakPolarHBondContact CE-OE1 3.38Å; K219-E252 VanDerWaalsContact NZ-CG 3.33Å; K219-E252 IonicContact NZ-OE1 2.75Å; K219-E252 PolarHBondContact NZ-OE1 2.93Å; K219-E252 IonicContact NZ-OE2 3.76Å; K219-E252 PolarHBondContact NZ-OE2 3.15Å
220D90.7Very high95.5Very high99 Ų9947.7 Ų47.753%0.52923%0.233SC..THydrogen-bonded Turntrans47.639.6-179.4-57.6-41.4000114.2R27 Q222R27-D220 VanDerWaalsContact CD-O 3.29Å; R27-D220 WeakPolarHBondContact CD-O 3.33Å; D220-Q222 VanDerWaalsContact C-N 3.31Å; D220-Q222 PolarHBondContact O-N 2.78Å
221G92.9Very high95.4Very high1 Ų155.9 Ų55.91%0.0128%0.276CS..THydrogen-bonded Turntrans74.713.3-179.800000115.2A25 R27 I29 S47 K219A25-G221 VanDerWaalsContact O-CA 3.29Å; A25-G221 WeakPolarHBondContact O-CA 3.49Å; R27-G221 PolarHBondContact N-O 3.22Å; I29-G221 WeakPolarHBondContact CD1-O 3.42Å; I29-G221 WeakPolarHBondContact CG1-O 3.4Å; S47-G221 WeakPolarHBondContact O-CA 3.41Å; S47-G221 PolarHBondContact O-N 2.93Å; K219-G221 PolarHBondContact O-N 2.98Å; K219-G221 VanDerWaalsContact O-N 3.09Å
222Q94.2Very high95.3Very high96 Ų9659.5 Ų59.545%0.44929%0.292SS..EExtended strand (participates in β ladder)trans-124.4147.2178.8-61.8-166-3600112.2R27 I218 K219 D220 Y224R27-Q222 HydrophobicContact CB-CG 3.63Å; R27-Q222 WeakPolarHBondContact O-CG 3.21Å; R27-Q222 PolarHBondContact O-NE2 2.75Å; I218-Q222 CarbonylContact C-O 3.57Å; I218-Q222 VanDerWaalsContact CA-O 3.23Å; I218-Q222 WeakPolarHBondContact CA-O 3.24Å; K219-Q222 PolarHBondContact N-O 3.45Å; K219-Q222 PolarHBondContact O-N 3.05Å; D220-Q222 VanDerWaalsContact C-N 3.31Å; D220-Q222 PolarHBondContact O-N 2.78Å; Q222-Y224 PolarHBondContact O-N 2.78Å
223V93.5Very high95.2Very high49 Ų4963.3 Ų63.330%0.29731%0.312SS..EExtended strand (participates in β ladder)trans-74.5114.3167.1-179.70000107.8I29 L216 I218I29-V223 HydrophobicContact CD1-CG2 3.73Å; I29-V223 HydrophobicContact CG2-CG2 4.08Å; L216-V223 HydrophobicContact CD2-CG1 3.89Å; L216-V223 HydrophobicContact CD2-CG2 4.37Å; I218-V223 HydrophobicContact CG1-CG2 4.32Å
224Y91.1Very high95.1Very high129 Ų12960.8 Ų60.851%0.50630%0.303SS..EExtended strand (participates in β ladder)trans-99.3-33.6-176-169.2-89.3000112.5F217 Q222 L248F217-Y224 PolarHBondContact O-N 2.82Å; Q222-Y224 PolarHBondContact O-N 2.78Å; Y224-L248 HydrophobicContact CD1-CD2 3.4Å; Y224-L248 HydrophobicContact CE1-CD2 3.39Å
225H94.3Very high95Very high81 Ų8166.7 Ų66.738%0.37533%0.327SS..EExtended strand (participates in β ladder)trans-153.6164.5-179.4-160.460.4000111.8F217F217-H225 HydrophobicContact CB-CB 4.25Å; F217-H225 HydrophobicContact CD2-CB 4.11Å; F217-H225 HydrophobicContact CG-CB 4.49Å; F217-H225 PolarHBondContact N-O 3.07Å
226Q95.9Very high95Very high80 Ų8071 Ų7137%0.37435%0.347SS..EExtended strand (participates in β ladder)trans-147.9147.1173.161.4-180-1400111.7V215 L216 Y228V215-Q226 CarbonylContact O-C 3.58Å; V215-Q226 WeakPolarHBondContact O-CA 3.13Å; L216-Q226 HydrophobicContact CG-CB 4.32Å; Q226-Y228 HydrophobicContact CG-CE2 4.22Å; Q226-Y228 PolarHBondContact OE1-OH 3.09Å
227L97.3Very high95.1Very high22 Ų2270.9 Ų70.912%0.11535%0.346CS..EExtended strand (participates in β ladder)trans-124.6147.2176.4-62.4172.6000110.3R214 V215 F217 F237 T240 I241 T244R214-L227 CarbonylContact C-O 3.58Å; R214-L227 VanDerWaalsContact CA-O 3.31Å; R214-L227 WeakPolarHBondContact CA-O 3.37Å; V215-L227 HydrophobicContact CB-CB 4.49Å; V215-L227 PolarHBondContact N-O 2.95Å; V215-L227 PolarHBondContact O-N 3.11Å; F217-L227 HydrophobicContact CE2-CD1 3.62Å; F217-L227 HydrophobicContact CE2-CG 3.79Å; F217-L227 HydrophobicContact CZ-CD1 3.8Å; F217-L227 HydrophobicContact CZ-CG 4.47Å; L227-F237 HydrophobicContact CB-CE2 3.95Å; L227-F237 HydrophobicContact CB-CZ 4.14Å; L227-T240 HydrophobicContact CD1-CG2 4.16Å; L227-T240 HydrophobicContact CD2-CG2 4.29Å; L227-I241 HydrophobicContact CD1-CG1 4.06Å; L227-T244 HydrophobicContact CD1-CG2 4.31Å
228Y97.5Very high95.2Very high134 Ų13472 Ų7253%0.52535%0.353SS..EExtended strand (participates in β ladder)trans-117134.3172.1-65.6-93.4000109.1R214 Q226 G230R214-Y228 HydrophobicContact CB-CD1 4.29Å; R214-Y228 HydrophobicContact CB-CE1 4.42Å; R214-Y228 HydrophobicContact CG-CD1 4.05Å; R214-Y228 HydrophobicContact CG-CE1 3.85Å; R214-Y228 PolarHBondContact NE-OH 3.3Å; Q226-Y228 HydrophobicContact CG-CE2 4.22Å; Q226-Y228 PolarHBondContact OE1-OH 3.09Å; Y228-G230 PolarHBondContact O-N 2.98Å
229R97.1Very high95.3Very high47 Ų4776 Ų7618%0.17737%0.371CS..  trans-61.5-43.3-178.9-178177.7-179.3158.17.8112.2K213 N231 K232 N234 F237K213-R229 VanDerWaalsContact O-CB 3.28Å; K213-R229 WeakPolarHBondContact O-CB 3.37Å; K213-R229 PolarHBondContact O-N 3.35Å; R229-N231 PolarHBondContact O-N 3.39Å; R229-K232 HydrophobicContact CG-CB 4.36Å; R229-K232 PolarHBondContact NE-O 3.3Å; R229-K232 PolarHBondContact NH2-O 3.38Å; R229-K232 WeakPolarHBondContact O-CB 3.24Å; R229-K232 WeakPolarHBondContact O-CG 3.42Å; R229-K232 PolarHBondContact O-N 2.9Å; R229-N234 VanDerWaalsContact CZ-OD1 3.3Å; R229-N234 PolarHBondContact NH1-OD1 2.91Å; R229-N234 PolarHBondContact NH2-OD1 3.19Å; R229-F237 HydrophobicContact CB-CD1 3.98Å; R229-F237 HydrophobicContact CB-CD2 4.38Å; R229-F237 HydrophobicContact CB-CE1 3.9Å; R229-F237 HydrophobicContact CB-CE2 4.31Å; R229-F237 HydrophobicContact CB-CG 4.23Å; R229-F237 HydrophobicContact CB-CZ 4.08Å; R229-F237 HydrophobicContact CG-CB 4.39Å; R229-F237 HydrophobicContact CG-CD1 4Å; R229-F237 HydrophobicContact CG-CE1 4.43Å; R229-F237 HydrophobicContact CG-CG 4.09Å
230G95.5Very high95.6Very high64 Ų6474.7 Ų74.766%0.6637%0.368SS*.THydrogen-bonded Turntrans59.1-127.5-171.100000110.8Y228Y228-G230 PolarHBondContact O-N 2.98Å
231N95.4Very high95.9Very high176 Ų17670 Ų7094%0.94134%0.343SS*.THydrogen-bonded Turntrans-93.75.4-179.9-62.8-22.8000113.9R229R229-N231 PolarHBondContact O-N 3.39Å
232K97.2Very high96.1Very high80 Ų8072.9 Ų72.935%0.34836%0.358SS..  trans-66.8142.4-177.5-68.9-175.9-178.768.50111.7R229 E236 F237 T240R229-K232 HydrophobicContact CG-CB 4.36Å; R229-K232 PolarHBondContact NE-O 3.3Å; R229-K232 PolarHBondContact NH2-O 3.38Å; R229-K232 WeakPolarHBondContact O-CB 3.24Å; R229-K232 WeakPolarHBondContact O-CG 3.42Å; R229-K232 PolarHBondContact O-N 2.9Å; K232-E236 VanDerWaalsContact CA-OE2 3.23Å; K232-E236 WeakPolarHBondContact CA-OE2 3.48Å; K232-E236 HydrophobicContact CB-CB 3.88Å; K232-E236 HydrophobicContact CD-CB 4.17Å; K232-E236 HydrophobicContact CG-CB 4.06Å; K232-F237 HydrophobicContact CB-CB 4.08Å; K232-F237 HydrophobicContact CD-CB 4.41Å; K232-F237 HydrophobicContact CD-CD2 4.28Å; K232-T240 WeakPolarHBondContact CE-OG1 3.32Å
233D96.1Very high96.1Very high81 Ų8174.7 Ų74.743%0.43337%0.366SS..  trans-71.6179.4165.875.927.6000111.6Y235 E236 F237D233-Y235 VanDerWaalsContact C-N 3.27Å; D233-Y235 PolarHBondContact O-N 3.03Å; D233-Y235 WeakPolarHBondContact OD1-CA 3.41Å; D233-Y235 WeakPolarHBondContact OD1-CB 3.48Å; D233-Y235 PolarHBondContact OD1-N 2.84Å; D233-E236 PolarHBondContact N-OE2 3.4Å; D233-E236 PolarHBondContact OD1-N 3.5Å; D233-F237 WeakPolarHBondContact O-CB 3.41Å; D233-F237 PolarHBondContact O-N 2.71Å; D233-F237 VanDerWaalsContact O-N 3.13Å
234N94.4Very high96.1Very high41 Ų4173.4 Ų73.422%0.21936%0.359CS..Hα-helixtrans-64.2-34.6-178.5-70.50.2000111.6Q190 S210 H211 R229 L238Q190-N234 PolarHBondContact NE2-OD1 2.96Å; S210-N234 WeakPolarHBondContact CB-O 3.48Å; H211-N234 PolarHBondContact CE1-ND2 2.95Å; H211-N234 VanDerWaalsContact CE1-ND2 3.26Å; H211-N234 PolarHBondContact ND1-ND2 3.24Å; R229-N234 VanDerWaalsContact CZ-OD1 3.3Å; R229-N234 PolarHBondContact NH1-OD1 2.91Å; R229-N234 PolarHBondContact NH2-OD1 3.19Å; N234-L238 WeakPolarHBondContact O-CB 3.44Å; N234-L238 PolarHBondContact O-N 3.29Å
235Y96.4Very high96.1Very high149 Ų14969.6 Ų69.658%0.58435%0.347SS*.Hα-helixtrans-75-48.4-176.7-178.4-96.3000111.3D233 F237 L238 E239D233-Y235 VanDerWaalsContact C-N 3.27Å; D233-Y235 PolarHBondContact O-N 3.03Å; D233-Y235 WeakPolarHBondContact OD1-CA 3.41Å; D233-Y235 WeakPolarHBondContact OD1-CB 3.48Å; D233-Y235 PolarHBondContact OD1-N 2.84Å; Y235-F237 PolarHBondContact O-N 2.96Å; Y235-L238 WeakPolarHBondContact O-CB 3.32Å; Y235-L238 PolarHBondContact O-N 3.5Å; Y235-L238 VanDerWaalsContact O-N 3.13Å; Y235-E239 HydrophobicContact CE1-CG 4.15Å; Y235-E239 WeakPolarHBondContact CE1-OE1 3.32Å; Y235-E239 PolarHBondContact O-N 2.73Å; Y235-E239 PolarHBondContact OH-OE1 3.35Å
236E98Very high95.9Very high91 Ų9170.2 Ų70.243%0.42536%0.357SS..Hα-helixtrans-59-38.8175.9-66.8175.1138.200111.4K232 D233 T240K232-E236 VanDerWaalsContact CA-OE2 3.23Å; K232-E236 WeakPolarHBondContact CA-OE2 3.48Å; K232-E236 HydrophobicContact CB-CB 3.88Å; K232-E236 HydrophobicContact CD-CB 4.17Å; K232-E236 HydrophobicContact CG-CB 4.06Å; D233-E236 PolarHBondContact N-OE2 3.4Å; D233-E236 PolarHBondContact OD1-N 3.5Å; E236-T240 PolarHBondContact O-N 3.21Å; E236-T240 PolarHBondContact O-OG1 2.89Å
237F98.1Very high95.5Very high0 Ų068.8 Ų68.80%036%0.358CS..Hα-helixtrans-73.6-35.9177.5-164.8-138.6000112.2V215 L227 R229 K232 D233 Y235 E239 T240 I241V215-F237 HydrophobicContact CB-CZ 4.47Å; V215-F237 HydrophobicContact CG2-CE1 3.69Å; V215-F237 HydrophobicContact CG2-CZ 3.72Å; L227-F237 HydrophobicContact CB-CE2 3.95Å; L227-F237 HydrophobicContact CB-CZ 4.14Å; R229-F237 HydrophobicContact CB-CD1 3.98Å; R229-F237 HydrophobicContact CB-CD2 4.38Å; R229-F237 HydrophobicContact CB-CE1 3.9Å; R229-F237 HydrophobicContact CB-CE2 4.31Å; R229-F237 HydrophobicContact CB-CG 4.23Å; R229-F237 HydrophobicContact CB-CZ 4.08Å; R229-F237 HydrophobicContact CG-CB 4.39Å; R229-F237 HydrophobicContact CG-CD1 4Å; R229-F237 HydrophobicContact CG-CE1 4.43Å; R229-F237 HydrophobicContact CG-CG 4.09Å; K232-F237 HydrophobicContact CB-CB 4.08Å; K232-F237 HydrophobicContact CD-CB 4.41Å; K232-F237 HydrophobicContact CD-CD2 4.28Å; D233-F237 WeakPolarHBondContact O-CB 3.41Å; D233-F237 PolarHBondContact O-N 2.71Å; D233-F237 VanDerWaalsContact O-N 3.13Å; Y235-F237 PolarHBondContact O-N 2.96Å; F237-E239 VanDerWaalsContact C-N 3.35Å; F237-T240 WeakPolarHBondContact O-CB 3.44Å; F237-T240 PolarHBondContact O-N 3.15Å; F237-I241 HydrophobicContact CD1-CD1 3.93Å; F237-I241 HydrophobicContact CE1-CD1 3.97Å; F237-I241 HydrophobicContact CE2-CG1 4.47Å; F237-I241 HydrophobicContact CG-CD1 4.26Å; F237-I241 HydrophobicContact CZ-CD1 4.34Å; F237-I241 HydrophobicContact CZ-CG1 4.48Å; F237-I241 WeakPolarHBondContact O-CD1 3.44Å; F237-I241 VanDerWaalsContact O-CG1 3.24Å; F237-I241 WeakPolarHBondContact O-CG1 3.33Å; F237-I241 PolarHBondContact O-N 2.99Å
238L97.7Very high94.8Very high31 Ų3169.1 Ų69.116%0.16236%0.36CS..Hα-helixtrans-58.7-44.5171.4174.661.6000111.8S206 I207 N234 Y235 I241 N242S206-L238 VanDerWaalsContact C-CD1 3.44Å; S206-L238 WeakPolarHBondContact O-CD1 3.36Å; S206-L238 WeakPolarHBondContact OG-CD1 3.43Å; I207-L238 HydrophobicContact CG1-CD1 4.31Å; I207-L238 HydrophobicContact CG1-CD2 4.25Å; N234-L238 WeakPolarHBondContact O-CB 3.44Å; N234-L238 PolarHBondContact O-N 3.29Å; Y235-L238 WeakPolarHBondContact O-CB 3.32Å; Y235-L238 PolarHBondContact O-N 3.5Å; Y235-L238 VanDerWaalsContact O-N 3.13Å; L238-I241 PolarHBondContact O-N 2.88Å; L238-N242 WeakPolarHBondContact O-CB 3.19Å; L238-N242 VanDerWaalsContact O-CG 3.3Å; L238-N242 PolarHBondContact O-N 3.44Å; L238-N242 PolarHBondContact O-ND2 3.2Å
239E97.5Very high93.8Very high87 Ų8767.4 Ų67.441%0.40736%0.359SS..Hα-helixtrans-58.2-48.9174.4-72.8-173.2155.200111.1Y235 F237 I241 N242 E243Y235-E239 HydrophobicContact CE1-CG 4.15Å; Y235-E239 WeakPolarHBondContact CE1-OE1 3.32Å; Y235-E239 PolarHBondContact O-N 2.73Å; Y235-E239 PolarHBondContact OH-OE1 3.35Å; F237-E239 VanDerWaalsContact C-N 3.35Å; E239-I241 VanDerWaalsContact C-N 3.29Å; E239-I241 PolarHBondContact O-N 3.28Å; E239-N242 PolarHBondContact O-N 3.27Å; E239-N242 VanDerWaalsContact O-N 3.12Å; E239-E243 WeakPolarHBondContact O-CG 3.25Å; E239-E243 PolarHBondContact O-N 3.01Å
240T97.2Very high92.6Very high31 Ų3168.7 Ų68.719%0.1938%0.375CS..Hα-helixtrans-57.9-41.4178.1-51.30000112L227 K232 E236 F237 T244L227-T240 HydrophobicContact CD1-CG2 4.16Å; L227-T240 HydrophobicContact CD2-CG2 4.29Å; K232-T240 WeakPolarHBondContact CE-OG1 3.32Å; E236-T240 PolarHBondContact O-N 3.21Å; E236-T240 PolarHBondContact O-OG1 2.89Å; F237-T240 WeakPolarHBondContact O-CB 3.44Å; F237-T240 PolarHBondContact O-N 3.15Å; T240-T244 WeakPolarHBondContact O-CB 3.49Å; T240-T244 PolarHBondContact O-N 3.44Å; T240-T244 VanDerWaalsContact O-N 3.1Å; T240-T244 PolarHBondContact O-OG1 2.78Å
241I97Very high90.8Very high0 Ų073.4 Ų73.40%038%0.378CS..Hα-helixtrans-65-46.4177.3-69.2162000110.3M42 A209 V215 F217 L227 F237 L238 E239 T244 L245M42-I241 HydrophobicContact CE-CG2 4.28Å; M42-I241 HydrophobicContact SD-CG2 3.71Å; A209-I241 HydrophobicContact CB-CD1 4.19Å; V215-I241 HydrophobicContact CG2-CD1 3.89Å; V215-I241 HydrophobicContact CG2-CG1 4.27Å; F217-I241 HydrophobicContact CE1-CG2 4.49Å; F217-I241 HydrophobicContact CZ-CG2 4.24Å; L227-I241 HydrophobicContact CD1-CG1 4.06Å; F237-I241 HydrophobicContact CD1-CD1 3.93Å; F237-I241 HydrophobicContact CE1-CD1 3.97Å; F237-I241 HydrophobicContact CE2-CG1 4.47Å; F237-I241 HydrophobicContact CG-CD1 4.26Å; F237-I241 HydrophobicContact CZ-CD1 4.34Å; F237-I241 HydrophobicContact CZ-CG1 4.48Å; F237-I241 WeakPolarHBondContact O-CD1 3.44Å; F237-I241 VanDerWaalsContact O-CG1 3.24Å; F237-I241 WeakPolarHBondContact O-CG1 3.33Å; F237-I241 PolarHBondContact O-N 2.99Å; L238-I241 PolarHBondContact O-N 2.88Å; E239-I241 VanDerWaalsContact C-N 3.29Å; E239-I241 PolarHBondContact O-N 3.28Å; I241-T244 WeakPolarHBondContact O-CB 3.3Å; I241-T244 PolarHBondContact O-N 3.04Å; I241-L245 HydrophobicContact CG2-CD1 4.02Å; I241-L245 HydrophobicContact CG2-CG 4.45Å; I241-L245 WeakPolarHBondContact O-CG 3.34Å; I241-L245 PolarHBondContact O-N 3.34Å
242N96.1Very high88.7Confident61 Ų6170.2 Ų70.233%0.32636%0.357SS..Hα-helixtrans-65.2-43.2-179.1-71.7-28.9000111.8S206 L238 E239 T244 L245 T246S206-N242 WeakPolarHBondContact CB-OD1 3.25Å; S206-N242 PolarHBondContact OG-OD1 2.94Å; L238-N242 WeakPolarHBondContact O-CB 3.19Å; L238-N242 VanDerWaalsContact O-CG 3.3Å; L238-N242 PolarHBondContact O-N 3.44Å; L238-N242 PolarHBondContact O-ND2 3.2Å; E239-N242 PolarHBondContact O-N 3.27Å; E239-N242 VanDerWaalsContact O-N 3.12Å; N242-T244 VanDerWaalsContact C-N 3.27Å; N242-T244 PolarHBondContact O-N 3.21Å; N242-L245 PolarHBondContact O-N 3.14Å; N242-T246 PolarHBondContact O-N 2.91Å; N242-T246 PolarHBondContact O-OG1 2.64Å; N242-T246 VanDerWaalsContact O-OG1 3.1Å
243E94.7Very high85.8Confident134 Ų13473.8 Ų73.863%0.62640%0.402SS*.Hα-helixtrans-57.1-43.6173.6-73177.7172.500111.5E239 T246 A247E239-E243 WeakPolarHBondContact O-CG 3.25Å; E239-E243 PolarHBondContact O-N 3.01Å; E243-T246 PolarHBondContact O-N 2.75Å; E243-A247 WeakPolarHBondContact O-CB 3.33Å; E243-A247 PolarHBondContact O-N 3.11Å
244T93.3Very high85.3Confident22 Ų2273.5 Ų73.514%0.13540%0.4CS..Hα-helixtrans-64.1-44.4177.1-59.50000111.1F217 L227 T240 I241 N242 T246 A247 L248F217-T244 HydrophobicContact CD2-CG2 4.43Å; F217-T244 HydrophobicContact CE1-CG2 4.36Å; F217-T244 HydrophobicContact CE2-CG2 4Å; F217-T244 HydrophobicContact CZ-CG2 3.94Å; L227-T244 HydrophobicContact CD1-CG2 4.31Å; T240-T244 WeakPolarHBondContact O-CB 3.49Å; T240-T244 PolarHBondContact O-N 3.44Å; T240-T244 VanDerWaalsContact O-N 3.1Å; T240-T244 PolarHBondContact O-OG1 2.78Å; I241-T244 WeakPolarHBondContact O-CB 3.3Å; I241-T244 PolarHBondContact O-N 3.04Å; N242-T244 VanDerWaalsContact C-N 3.27Å; N242-T244 PolarHBondContact O-N 3.21Å; T244-T246 PolarHBondContact O-N 3.43Å; T244-A247 PolarHBondContact O-N 2.62Å; T244-L248 HydrophobicContact CG2-CD1 3.99Å; T244-L248 HydrophobicContact CG2-CG 4.37Å; T244-L248 WeakPolarHBondContact O-CB 2.81Å; T244-L248 WeakPolarHBondContact O-CG 3.47Å; T244-L248 PolarHBondContact O-N 3.29Å
245L91.2Very high84.8Confident49 Ų4975.2 Ų75.226%0.25741%0.41SS..Hα-helixtrans-59.7-45.2175.6-73.4169.2000111.5M42 F217 I241 N242 A247 L248 L249M42-L245 HydrophobicContact CE-CD1 4.03Å; F217-L245 HydrophobicContact CD1-CD2 4.05Å; F217-L245 HydrophobicContact CE1-CD2 3.73Å; F217-L245 HydrophobicContact CE1-CG 4Å; I241-L245 HydrophobicContact CG2-CD1 4.02Å; I241-L245 HydrophobicContact CG2-CG 4.45Å; I241-L245 WeakPolarHBondContact O-CG 3.34Å; I241-L245 PolarHBondContact O-N 3.34Å; N242-L245 PolarHBondContact O-N 3.14Å; L245-A247 PolarHBondContact O-N 3.02Å; L245-L248 PolarHBondContact O-N 3.03Å; L245-L249 WeakPolarHBondContact O-CG 3.45Å; L245-L249 PolarHBondContact O-N 3.24Å
246T90.4Very high84.2Confident95 Ų9571.1 Ų71.158%0.58340%0.4SS*.Hα-helixtrans-62-42.2175.8-57.40000111.8N242 E243 T244 L248 L249 S250N242-T246 PolarHBondContact O-N 2.91Å; N242-T246 PolarHBondContact O-OG1 2.64Å; N242-T246 VanDerWaalsContact O-OG1 3.1Å; E243-T246 PolarHBondContact O-N 2.75Å; T244-T246 PolarHBondContact O-N 3.43Å; T246-L248 VanDerWaalsContact C-N 3.31Å; T246-L248 PolarHBondContact O-N 3.08Å; T246-L249 PolarHBondContact O-N 3.45Å; T246-S250 WeakPolarHBondContact O-CB 3.42Å; T246-S250 PolarHBondContact O-N 3.42Å; T246-S250 PolarHBondContact O-OG 3.11Å
247A88.1Confident83.4Confident49 Ų4969.9 Ų69.941%0.40540%0.399SS..Hα-helixtrans-65.1-33.3176.400000112.8E243 T244 L245 S250 K251E243-A247 WeakPolarHBondContact O-CB 3.33Å; E243-A247 PolarHBondContact O-N 3.11Å; T244-A247 PolarHBondContact O-N 2.62Å; L245-A247 PolarHBondContact O-N 3.02Å; A247-S250 WeakPolarHBondContact CA-OG 3.27Å; A247-S250 PolarHBondContact O-OG 3.05Å; A247-K251 PolarHBondContact O-N 3.2Å
248L81.6Confident82.4Confident30 Ų3074.3 Ų74.316%0.15742%0.423CS..Hα-helixtrans-72.6-40.4177.3-71.6171000112.1F217 Y224 T244 L245 T246F217-L248 HydrophobicContact CB-CD1 4.23Å; F217-L248 HydrophobicContact CD1-CD1 3.87Å; F217-L248 HydrophobicContact CE1-CD1 4.49Å; F217-L248 HydrophobicContact CG-CD1 4.07Å; Y224-L248 HydrophobicContact CD1-CD2 3.4Å; Y224-L248 HydrophobicContact CE1-CD2 3.39Å; T244-L248 HydrophobicContact CG2-CD1 3.99Å; T244-L248 HydrophobicContact CG2-CG 4.37Å; T244-L248 WeakPolarHBondContact O-CB 2.81Å; T244-L248 WeakPolarHBondContact O-CG 3.47Å; T244-L248 PolarHBondContact O-N 3.29Å; L245-L248 PolarHBondContact O-N 3.03Å; T246-L248 VanDerWaalsContact C-N 3.31Å; T246-L248 PolarHBondContact O-N 3.08Å
249L77.9Confident81.4Confident98 Ų9877.1 Ų77.151%0.51344%0.441SS..Hα-helixtrans-70.6-36.7177.5-69.3168.4000112.4L245 T246 K251 E252L245-L249 WeakPolarHBondContact O-CG 3.45Å; L245-L249 PolarHBondContact O-N 3.24Å; T246-L249 PolarHBondContact O-N 3.45Å; L249-K251 VanDerWaalsContact C-N 3.32Å; L249-K251 PolarHBondContact O-N 3.26Å; L249-E252 PolarHBondContact O-N 2.94Å
250S71.3Confident80.3Confident73 Ų7376.4 Ų76.451%0.5144%0.443SS..Hα-helixtrans-72.8-20.4-178.847.70000114.2T246 A247 E252T246-S250 WeakPolarHBondContact O-CB 3.42Å; T246-S250 PolarHBondContact O-N 3.42Å; T246-S250 PolarHBondContact O-OG 3.11Å; A247-S250 WeakPolarHBondContact CA-OG 3.27Å; A247-S250 PolarHBondContact O-OG 3.05Å; S250-E252 PolarHBondContact O-N 2.76Å
251K57.2Low79Confident163 Ų16379.9 Ų79.971%0.70946%0.463SS*.THydrogen-bonded Turntrans-75.9-1.7172-77.9-176177-1790113.7A247 L249A247-K251 PolarHBondContact O-N 3.2Å; L249-K251 VanDerWaalsContact C-N 3.32Å; L249-K251 PolarHBondContact O-N 3.26Å
252E51.8Low77.5Confident110 Ų11086.6 Ų86.651%0.51450%0.501SS..THydrogen-bonded Turntrans-102.75.9177.1-61.8-169.8107.600114.4K219 L249 S250K219-E252 WeakPolarHBondContact CE-OE1 3.38Å; K219-E252 VanDerWaalsContact NZ-CG 3.33Å; K219-E252 IonicContact NZ-OE1 2.75Å; K219-E252 PolarHBondContact NZ-OE1 2.93Å; K219-E252 IonicContact NZ-OE2 3.76Å; K219-E252 PolarHBondContact NZ-OE2 3.15Å; L249-E252 PolarHBondContact O-N 2.94Å; S250-E252 PolarHBondContact O-N 2.76Å
253A36.1Very low75.8Confident155 Ų15588.9 Ų88.9100%1.28152%0.517SS*.  trans-99.90176.300000112.6

Retrieved 253 of 253 residues in 79.8 ms (Link to these results)

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